data_5JQ7 # _entry.id 5JQ7 # _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 5JQ7 WWPDB D_1000221052 # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 5JQ7 _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 5JQ7 _cell.length_a 113.450 _cell.length_b 113.450 _cell.length_c 306.870 _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 5JQ7 _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 ? ? ? ? 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 2 ? ? ? ? 5 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 1 ? ? ? ? 6 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 7 non-polymer man ALPHA-D-MANNOSE 180.156 1 ? ? ? ? 8 non-polymer syn Toremifene 405.960 1 ? ? ? ? 9 water nat water 18.015 53 ? ? ? ? # 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 ? ? ? ? ? ? ? ? HEK293T ? ? ? ? ? ? ? ? ? ? ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.pdbx_db_isoform _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin 1 UNP VGP_EBOZM Q05320 ? 1 ;SIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAENCYNL EIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKK DFFSSHPLREPVNATEDPSSGYYSTTIRYQATGFGTNETEYLFEVDNLTYVQLESRFTPQFLLQLNETIYTSGKRSNTTG KLIWKVNPEIDTTIGEWAFWETKKNLTRKIRSEELSFTVVS ; 32 2 UNP VGP_EBOZM Q05320 ? 1 THHQDTGEESASSGKLGLITNTIAGVAGLITGGRRTRR 464 3 PDB 5JQ7 5JQ7 ? 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 5JQ7 A 5 ? 285 ? Q05320 32 ? 312 ? 32 432 2 2 5JQ7 A 286 ? 323 ? Q05320 464 ? 501 ? 433 470 3 3 5JQ7 A 324 ? 330 ? 5JQ7 471 ? 477 ? 471 477 4 4 5JQ7 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 5JQ7 GLU A 1 ? UNP Q05320 ? ? 'expression tag' 28 1 1 5JQ7 THR A 2 ? UNP Q05320 ? ? 'expression tag' 29 2 1 5JQ7 GLY A 3 ? UNP Q05320 ? ? 'expression tag' 30 3 1 5JQ7 ARG A 4 ? UNP Q05320 ? ? 'expression tag' 31 4 1 5JQ7 ALA A 15 ? UNP Q05320 THR 42 'engineered mutation' 42 5 4 5JQ7 GLY B 132 ? UNP Q05320 ? ? 'expression tag' 633 6 4 5JQ7 SER B 133 ? UNP Q05320 ? ? 'expression tag' 634 7 4 5JQ7 GLY B 134 ? UNP Q05320 ? ? 'expression tag' 635 8 4 5JQ7 TYR B 135 ? UNP Q05320 ? ? 'expression tag' 636 9 4 5JQ7 ILE B 136 ? UNP Q05320 ? ? 'expression tag' 637 10 4 5JQ7 PRO B 137 ? UNP Q05320 ? ? 'expression tag' 638 11 4 5JQ7 GLU B 138 ? UNP Q05320 ? ? 'expression tag' 639 12 4 5JQ7 ALA B 139 ? UNP Q05320 ? ? 'expression tag' 640 13 4 5JQ7 PRO B 140 ? UNP Q05320 ? ? 'expression tag' 641 14 4 5JQ7 ARG B 141 ? UNP Q05320 ? ? 'expression tag' 642 15 4 5JQ7 ASP B 142 ? UNP Q05320 ? ? 'expression tag' 643 16 4 5JQ7 GLY B 143 ? UNP Q05320 ? ? 'expression tag' 644 17 4 5JQ7 GLN B 144 ? UNP Q05320 ? ? 'expression tag' 645 18 4 5JQ7 ALA B 145 ? UNP Q05320 ? ? 'expression tag' 646 19 4 5JQ7 TYR B 146 ? UNP Q05320 ? ? 'expression tag' 647 20 4 5JQ7 VAL B 147 ? UNP Q05320 ? ? 'expression tag' 648 21 4 5JQ7 ARG B 148 ? UNP Q05320 ? ? 'expression tag' 649 22 4 5JQ7 LYS B 149 ? UNP Q05320 ? ? 'expression tag' 650 23 4 5JQ7 ASP B 150 ? UNP Q05320 ? ? 'expression tag' 651 24 4 5JQ7 GLY B 151 ? UNP Q05320 ? ? 'expression tag' 652 25 4 5JQ7 GLU B 152 ? UNP Q05320 ? ? 'expression tag' 653 26 4 5JQ7 TRP B 153 ? UNP Q05320 ? ? 'expression tag' 654 27 4 5JQ7 VAL B 154 ? UNP Q05320 ? ? 'expression tag' 655 28 4 5JQ7 LEU B 155 ? UNP Q05320 ? ? 'expression tag' 656 29 4 5JQ7 LEU B 156 ? UNP Q05320 ? ? 'expression tag' 657 30 4 5JQ7 SER B 157 ? UNP Q05320 ? ? 'expression tag' 658 31 4 5JQ7 THR B 158 ? UNP Q05320 ? ? 'expression tag' 659 32 4 5JQ7 PHE B 159 ? UNP Q05320 ? ? 'expression tag' 660 33 4 5JQ7 LEU B 160 ? UNP Q05320 ? ? 'expression tag' 661 34 4 5JQ7 GLY B 161 ? UNP Q05320 ? ? 'expression tag' 662 35 4 5JQ7 THR B 162 ? UNP Q05320 ? ? 'expression tag' 663 36 4 5JQ7 HIS B 163 ? UNP Q05320 ? ? 'expression tag' 664 37 4 5JQ7 HIS B 164 ? UNP Q05320 ? ? 'expression tag' 665 38 4 5JQ7 HIS B 165 ? UNP Q05320 ? ? 'expression tag' 666 39 4 5JQ7 HIS B 166 ? UNP Q05320 ? ? 'expression tag' 667 40 4 5JQ7 HIS B 167 ? UNP Q05320 ? ? 'expression tag' 668 41 4 5JQ7 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 DMS non-polymer . 'DIMETHYL SULFOXIDE' ? 'C2 H6 O S' 78.133 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 T0R non-polymer . Toremifene ? 'C26 H28 Cl N O' 405.960 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 5JQ7 _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 3.47 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 64.60 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.id 1 _exptl_crystal.preparation ? _exptl_crystal.size_max ? _exptl_crystal.size_mid ? _exptl_crystal.size_min ? _exptl_crystal.size_rad ? _exptl_crystal.colour_lustre ? _exptl_crystal.colour_modifier ? _exptl_crystal.colour_primary ? _exptl_crystal.density_meas ? _exptl_crystal.density_meas_esd ? _exptl_crystal.density_meas_gt ? _exptl_crystal.density_meas_lt ? _exptl_crystal.density_meas_temp ? _exptl_crystal.density_meas_temp_esd ? _exptl_crystal.density_meas_temp_gt ? _exptl_crystal.density_meas_temp_lt ? _exptl_crystal.pdbx_crystal_image_url ? _exptl_crystal.pdbx_crystal_image_format ? _exptl_crystal.pdbx_mosaicity ? _exptl_crystal.pdbx_mosaicity_esd ? # _exptl_crystal_grow.apparatus ? _exptl_crystal_grow.atmosphere ? _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.details ? _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH 5.2 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '9% (w/v) PEG 6000 and 0.1 M Sodium citrate tribasic dihydrate' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.ambient_environment ? _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.ambient_temp_esd ? _diffrn.crystal_id 1 _diffrn.crystal_support ? _diffrn.crystal_treatment ? _diffrn.details ? _diffrn.id 1 _diffrn.ambient_pressure ? _diffrn.ambient_pressure_esd ? _diffrn.ambient_pressure_gt ? _diffrn.ambient_pressure_lt ? _diffrn.ambient_temp_gt ? _diffrn.ambient_temp_lt ? # _diffrn_detector.details ? _diffrn_detector.detector PIXEL _diffrn_detector.diffrn_id 1 _diffrn_detector.type 'DECTRIS 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 5JQ7 _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 51.150 _reflns.d_resolution_high 2.690 _reflns.number_obs 21539 _reflns.number_all ? _reflns.percent_possible_obs 99.9 _reflns.pdbx_Rmerge_I_obs 0.07900 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 20.0000 _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 2.69 _reflns_shell.d_res_low 2.76 _reflns_shell.percent_possible_all 100.0 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 1.900 _reflns_shell.pdbx_redundancy 8.60 _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_all ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5JQ7 _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 20449 _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 51.15 _refine.ls_d_res_high 2.69 _refine.ls_percent_reflns_obs 99.9 _refine.ls_R_factor_obs 0.205 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.203 _refine.ls_R_factor_R_free 0.245 _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 1090 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.939 _refine.correlation_coeff_Fo_to_Fc_free 0.918 _refine.B_iso_mean 92.64 _refine.aniso_B[1][1] 2.47000 _refine.aniso_B[2][2] 2.47000 _refine.aniso_B[3][3] -8.00000 _refine.aniso_B[1][2] 1.23000 _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 0.365 _refine.pdbx_overall_ESU_R_Free 0.267 _refine.overall_SU_ML 0.209 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 20.978 _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 3034 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 151 _refine_hist.number_atoms_solvent 53 _refine_hist.number_atoms_total 3238 _refine_hist.d_res_high 2.69 _refine_hist.d_res_low 51.15 # 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 ? 3268 'X-RAY DIFFRACTION' ? r_bond_other_d 0.001 0.020 ? 3004 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.286 1.992 ? 4448 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.867 3.000 ? 6910 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.173 5.000 ? 382 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 37.173 24.110 ? 146 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.318 15.000 ? 485 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17.229 15.000 ? 18 'X-RAY DIFFRACTION' ? r_chiral_restr 0.065 0.200 ? 507 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.004 0.021 ? 3618 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.001 0.020 ? 756 '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 1.779 6.179 ? 1546 'X-RAY DIFFRACTION' ? r_mcbond_other 1.778 6.175 ? 1545 'X-RAY DIFFRACTION' ? r_mcangle_it 3.229 9.233 ? 1922 'X-RAY DIFFRACTION' ? r_mcangle_other 3.229 9.238 ? 1923 'X-RAY DIFFRACTION' ? r_scbond_it 2.037 6.696 ? 1722 'X-RAY DIFFRACTION' ? r_scbond_other 2.036 6.701 ? 1723 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 3.508 9.972 ? 2527 'X-RAY DIFFRACTION' ? r_long_range_B_refined 6.456 49.423 ? 3392 'X-RAY DIFFRACTION' ? r_long_range_B_other 6.455 49.439 ? 3393 '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 2.69 _refine_ls_shell.d_res_low 2.76 _refine_ls_shell.number_reflns_R_work 1502 _refine_ls_shell.R_factor_R_work 0.3000 _refine_ls_shell.percent_reflns_obs 99.94 _refine_ls_shell.R_factor_R_free 0.3310 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 88 _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 5JQ7 _struct.title 'Crystal structure of Ebola glycoprotein in complex with toremifene' _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 5JQ7 _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 5 ? J N N 3 ? K N N 3 ? L N N 6 ? M N N 7 ? N N N 8 ? O N N 9 ? P N N 9 ? # 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 ? THR B 119 ? PRO B 612 THR B 620 1 ? 9 HELX_P HELX_P10 AB1 ASP B 120 ? ILE B 125 ? ASP B 621 ILE B 626 5 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 26 SG ? ? ? 1_555 B CYS 108 SG ? ? A CYS 53 B CYS 609 1_555 ? ? ? ? ? ? ? 2.028 ? disulf2 disulf ? ? A CYS 81 SG ? ? ? 1_555 A CYS 108 SG ? ? A CYS 108 A CYS 135 1_555 ? ? ? ? ? ? ? 2.037 ? disulf3 disulf ? ? A CYS 94 SG ? ? ? 1_555 A CYS 120 SG ? ? A CYS 121 A CYS 147 1_555 ? ? ? ? ? ? ? 2.029 ? disulf4 disulf ? ? B CYS 10 SG ? ? ? 1_555 B CYS 55 SG ? ? B CYS 511 B CYS 556 1_555 ? ? ? ? ? ? ? 2.047 ? disulf5 disulf ? ? B CYS 100 SG ? ? ? 1_555 B CYS 107 SG ? ? B CYS 601 B CYS 608 1_555 ? ? ? ? ? ? ? 2.037 ? 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 ? ? ? ? ? ? ? 1.440 ? covale4 covale one ? A ASN 241 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 268 A NAG 604 1_555 ? ? ? ? ? ? ? 1.454 ? covale5 covale one ? B ASN 62 ND2 ? ? ? 1_555 J NAG . C1 ? ? B ASN 563 B NAG 701 1_555 ? ? ? ? ? ? ? 1.441 ? covale6 covale both ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? B NAG 701 B NAG 702 1_555 ? ? ? ? ? ? ? 1.441 ? covale7 covale both ? K NAG . O4 ? ? ? 1_555 L BMA . C1 ? ? B NAG 702 B BMA 703 1_555 ? ? ? ? ? ? ? 1.446 ? covale8 covale one ? L BMA . O6 ? ? ? 1_555 M MAN . C1 ? ? B BMA 703 B MAN 704 1_555 ? ? ? ? ? ? ? 1.453 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 2 ? AA2 ? 6 ? AA3 ? 2 ? AA4 ? 3 ? AA5 ? 8 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA2 4 5 ? anti-parallel AA2 5 6 ? parallel AA3 1 2 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA5 1 2 ? parallel AA5 2 3 ? parallel AA5 3 4 ? anti-parallel AA5 4 5 ? anti-parallel AA5 5 6 ? parallel AA5 6 7 ? parallel AA5 7 8 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLY A 9 ? HIS A 12 ? GLY A 36 HIS A 39 AA1 2 ALA A 15 ? VAL A 18 ? ALA A 42 VAL A 45 AA2 1 LEU A 36 ? ASN A 42 ? LEU A 63 ASN A 69 AA2 2 ALA A 150 ? ILE A 158 ? ALA A 177 ILE A 185 AA2 3 PHE A 132 ? LEU A 134 ? PHE A 159 LEU A 161 AA2 4 LEU A 138 ? SER A 140 ? LEU A 165 SER A 167 AA2 5 VAL A 69 ? ASN A 71 ? VAL A 96 ASN A 98 AA2 6 ARG B 79 ? THR B 80 ? ARG B 580 THR B 581 AA3 1 TRP A 59 ? ARG A 62 ? TRP A 86 ARG A 89 AA3 2 PHE A 124 ? HIS A 127 ? PHE A 151 HIS A 154 AA4 1 ALA A 74 ? GLU A 76 ? ALA A 101 GLU A 103 AA4 2 LEU B 14 ? THR B 19 ? LEU B 515 THR B 520 AA4 3 TYR B 42 ? MET B 47 ? TYR B 543 MET B 548 AA5 1 ALA A 78 ? LYS A 87 ? ALA A 105 LYS A 114 AA5 2 CYS A 108 ? THR A 117 ? CYS A 135 THR A 144 AA5 3 THR A 189 ? THR A 196 ? THR A 216 THR A 223 AA5 4 GLU A 204 ? ASP A 210 ? GLU A 231 ASP A 237 AA5 5 THR A 213 ? GLN A 216 ? THR A 240 GLN A 243 AA5 6 LEU A 246 ? VAL A 250 ? LEU A 273 VAL A 277 AA5 7 UNK A 325 ? UNK A 329 ? UNK A 472 UNK A 476 AA5 8 PHE A 281 ? THR A 282 ? PHE A 308 THR A 309 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N VAL A 10 ? N VAL A 37 O GLN A 17 ? O GLN A 44 AA2 1 2 N ARG A 37 ? N ARG A 64 O LEU A 157 ? O LEU A 184 AA2 2 3 O ALA A 150 ? O ALA A 177 N LEU A 134 ? N LEU A 161 AA2 3 4 N PHE A 133 ? N PHE A 160 O SER A 140 ? O SER A 167 AA2 4 5 O ALA A 139 ? O ALA A 166 N VAL A 70 ? N VAL A 97 AA2 5 6 N VAL A 69 ? N VAL A 96 O THR B 80 ? O THR B 581 AA3 1 2 N GLY A 60 ? N GLY A 87 O PHE A 126 ? O PHE A 153 AA4 1 2 N GLY A 75 ? N GLY A 102 O TRP B 17 ? O TRP B 518 AA4 2 3 N THR B 18 ? N THR B 519 O ILE B 43 ? O ILE B 544 AA5 1 2 N CYS A 81 ? N CYS A 108 O HIS A 112 ? O HIS A 139 AA5 2 3 N SER A 115 ? N SER A 142 O TYR A 193 ? O TYR A 220 AA5 3 4 N ARG A 192 ? N ARG A 219 O GLU A 208 ? O GLU A 235 AA5 4 5 N PHE A 207 ? N PHE A 234 O VAL A 215 ? O VAL A 242 AA5 5 6 N TYR A 214 ? N TYR A 241 O LEU A 246 ? O LEU A 273 AA5 6 7 N LYS A 249 ? N LYS A 276 O UNK A 327 ? O UNK A 474 AA5 7 8 O UNK A 328 ? O UNK A 475 N THR A 282 ? N THR A 309 # 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 ? 4 'binding site for residue GOL A 605' AC2 Software A GOL 606 ? 4 'binding site for residue GOL A 606' AC3 Software A DMS 607 ? 2 'binding site for residue DMS A 607' AC4 Software B T0R 705 ? 9 'binding site for residue T0R B 705' AC5 Software A NAG 602 ? 2 'binding site for Mono-Saccharide NAG A 602 bound to ASN A 228' AC6 Software A NAG 603 ? 3 'binding site for Mono-Saccharide NAG A 603 bound to ASN A 238' AC7 Software A NAG 601 ? 5 'binding site for Mono-Saccharide NAG A 601 bound to ASN A 257' AC8 Software A NAG 604 ? 3 'binding site for Mono-Saccharide NAG A 604 bound to ASN A 268' AC9 Software B ASN 563 ? 4 'binding site for Poly-Saccharide residues NAG B 701 through MAN B 704 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 4 GLU A 93 ? GLU A 120 . ? 1_555 ? 2 AC1 4 LEU A 95 ? LEU A 122 . ? 1_555 ? 3 AC1 4 PRO A 96 ? PRO A 123 . ? 1_555 ? 4 AC1 4 ASP A 123 ? ASP A 150 . ? 1_555 ? 5 AC2 4 ASN A 83 ? ASN A 110 . ? 1_555 ? 6 AC2 4 GLU A 85 ? GLU A 112 . ? 1_555 ? 7 AC2 4 LYS A 113 ? LYS A 140 . ? 1_555 ? 8 AC2 4 GLY A 146 ? GLY A 173 . ? 1_555 ? 9 AC3 2 TYR A 186 ? TYR A 213 . ? 1_555 ? 10 AC3 2 SER A 188 ? SER A 215 . ? 1_555 ? 11 AC4 9 ARG A 37 ? ARG A 64 . ? 1_555 ? 12 AC4 9 VAL A 39 ? VAL A 66 . ? 1_555 ? 13 AC4 9 GLU A 73 ? GLU A 100 . ? 1_555 ? 14 AC4 9 ALA A 74 ? ALA A 101 . ? 1_555 ? 15 AC4 9 LEU A 157 ? LEU A 184 . ? 1_555 ? 16 AC4 9 LEU B 14 ? LEU B 515 . ? 1_555 ? 17 AC4 9 TYR B 16 ? TYR B 517 . ? 1_555 ? 18 AC4 9 THR B 18 ? THR B 519 . ? 1_555 ? 19 AC4 9 THR B 19 ? THR B 520 . ? 1_555 ? 20 AC5 2 ASN A 201 ? ASN A 228 . ? 1_555 ? 21 AC5 2 GLU A 202 ? GLU A 229 . ? 1_555 ? 22 AC6 3 ASN A 211 ? ASN A 238 . ? 1_555 ? 23 AC6 3 ASN A 211 ? ASN A 238 . ? 18_444 ? 24 AC6 3 LEU A 212 ? LEU A 239 . ? 18_444 ? 25 AC7 5 THR A 190 ? THR A 217 . ? 1_555 ? 26 AC7 5 LEU A 227 ? LEU A 254 . ? 1_555 ? 27 AC7 5 ASN A 230 ? ASN A 257 . ? 1_555 ? 28 AC7 5 TYR A 234 ? TYR A 261 . ? 1_555 ? 29 AC7 5 ASN A 241 ? ASN A 268 . ? 18_444 ? 30 AC8 3 THR A 235 ? THR A 262 . ? 18_444 ? 31 AC8 3 GLY A 237 ? GLY A 264 . ? 1_555 ? 32 AC8 3 ASN A 241 ? ASN A 268 . ? 1_555 ? 33 AC9 4 GLU A 129 ? GLU A 156 . ? 1_555 ? 34 AC9 4 GLN B 7 ? GLN B 508 . ? 1_555 ? 35 AC9 4 ASN B 62 ? ASN B 563 . ? 1_555 ? 36 AC9 4 THR B 65 ? THR B 566 . ? 1_555 ? # _atom_sites.entry_id 5JQ7 _atom_sites.fract_transf_matrix[1][1] 0.008814 _atom_sites.fract_transf_matrix[1][2] 0.005089 _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] 0.010178 _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] 0.003259 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CL 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 . GLY A 1 3 ? -73.703 17.659 -10.933 1.00 111.61 ? 30 GLY A N 1 ATOM 2 C CA . GLY A 1 3 ? -72.420 18.220 -10.401 1.00 111.67 ? 30 GLY A CA 1 ATOM 3 C C . GLY A 1 3 ? -72.035 17.658 -9.038 1.00 114.79 ? 30 GLY A C 1 ATOM 4 O O . GLY A 1 3 ? -72.909 17.278 -8.255 1.00 120.00 ? 30 GLY A O 1 ATOM 5 N N . ARG A 1 4 ? -70.728 17.590 -8.765 1.00 112.77 ? 31 ARG A N 1 ATOM 6 C CA . ARG A 1 4 ? -70.199 17.166 -7.452 1.00 113.07 ? 31 ARG A CA 1 ATOM 7 C C . ARG A 1 4 ? -68.750 17.652 -7.263 1.00 105.44 ? 31 ARG A C 1 ATOM 8 O O . ARG A 1 4 ? -68.013 17.819 -8.243 1.00 104.01 ? 31 ARG A O 1 ATOM 9 C CB . ARG A 1 4 ? -70.288 15.635 -7.293 1.00 118.70 ? 31 ARG A CB 1 ATOM 10 C CG . ARG A 1 4 ? -69.889 15.067 -5.924 1.00 123.25 ? 31 ARG A CG 1 ATOM 11 C CD . ARG A 1 4 ? -70.702 15.618 -4.750 1.00 127.63 ? 31 ARG A CD 1 ATOM 12 N NE . ARG A 1 4 ? -72.150 15.416 -4.899 1.00 133.70 ? 31 ARG A NE 1 ATOM 13 C CZ . ARG A 1 4 ? -72.928 14.616 -4.153 1.00 138.56 ? 31 ARG A CZ 1 ATOM 14 N NH1 . ARG A 1 4 ? -72.445 13.885 -3.145 1.00 140.22 ? 31 ARG A NH1 1 ATOM 15 N NH2 . ARG A 1 4 ? -74.232 14.548 -4.420 1.00 141.02 ? 31 ARG A NH2 1 ATOM 16 N N . SER A 1 5 ? -68.370 17.894 -6.004 1.00 97.96 ? 32 SER A N 1 ATOM 17 C CA . SER A 1 5 ? -67.029 18.365 -5.618 1.00 89.79 ? 32 SER A CA 1 ATOM 18 C C . SER A 1 5 ? -65.875 17.524 -6.185 1.00 81.81 ? 32 SER A C 1 ATOM 19 O O . SER A 1 5 ? -65.896 16.293 -6.108 1.00 82.55 ? 32 SER A O 1 ATOM 20 C CB . SER A 1 5 ? -66.922 18.398 -4.087 1.00 91.59 ? 32 SER A CB 1 ATOM 21 O OG . SER A 1 5 ? -65.660 18.885 -3.660 1.00 93.08 ? 32 SER A OG 1 ATOM 22 N N . ILE A 1 6 ? -64.868 18.198 -6.737 1.00 73.38 ? 33 ILE A N 1 ATOM 23 C CA . ILE A 1 6 ? -63.693 17.520 -7.283 1.00 67.77 ? 33 ILE A CA 1 ATOM 24 C C . ILE A 1 6 ? -62.880 16.945 -6.124 1.00 66.23 ? 33 ILE A C 1 ATOM 25 O O . ILE A 1 6 ? -62.496 17.687 -5.230 1.00 63.73 ? 33 ILE A O 1 ATOM 26 C CB . ILE A 1 6 ? -62.804 18.455 -8.127 1.00 64.40 ? 33 ILE A CB 1 ATOM 27 C CG1 . ILE A 1 6 ? -63.566 18.929 -9.368 1.00 63.65 ? 33 ILE A CG1 1 ATOM 28 C CG2 . ILE A 1 6 ? -61.528 17.740 -8.565 1.00 63.32 ? 33 ILE A CG2 1 ATOM 29 C CD1 . ILE A 1 6 ? -62.921 20.092 -10.082 1.00 62.32 ? 33 ILE A CD1 1 ATOM 30 N N . PRO A 1 7 ? -62.617 15.625 -6.138 1.00 65.52 ? 34 PRO A N 1 ATOM 31 C CA . PRO A 1 7 ? -61.850 15.028 -5.049 1.00 65.45 ? 34 PRO A CA 1 ATOM 32 C C . PRO A 1 7 ? -60.429 15.544 -4.951 1.00 63.86 ? 34 PRO A C 1 ATOM 33 O O . PRO A 1 7 ? -59.807 15.830 -5.971 1.00 63.37 ? 34 PRO A O 1 ATOM 34 C CB . PRO A 1 7 ? -61.805 13.537 -5.405 1.00 66.39 ? 34 PRO A CB 1 ATOM 35 C CG . PRO A 1 7 ? -62.872 13.336 -6.407 1.00 67.82 ? 34 PRO A CG 1 ATOM 36 C CD . PRO A 1 7 ? -62.990 14.623 -7.151 1.00 66.25 ? 34 PRO A CD 1 ATOM 37 N N . LEU A 1 8 ? -59.938 15.635 -3.721 1.00 64.49 ? 35 LEU A N 1 ATOM 38 C CA . LEU A 1 8 ? -58.571 15.999 -3.413 1.00 63.53 ? 35 LEU A CA 1 ATOM 39 C C . LEU A 1 8 ? -57.942 14.842 -2.642 1.00 65.13 ? 35 LEU A C 1 ATOM 40 O O . LEU A 1 8 ? -58.470 14.410 -1.622 1.00 66.41 ? 35 LEU A O 1 ATOM 41 C CB . LEU A 1 8 ? -58.569 17.272 -2.571 1.00 63.69 ? 35 LEU A CB 1 ATOM 42 C CG . LEU A 1 8 ? -57.230 17.867 -2.133 1.00 63.16 ? 35 LEU A CG 1 ATOM 43 C CD1 . LEU A 1 8 ? -56.344 18.185 -3.325 1.00 60.97 ? 35 LEU A CD1 1 ATOM 44 C CD2 . LEU A 1 8 ? -57.481 19.121 -1.305 1.00 63.09 ? 35 LEU A CD2 1 ATOM 45 N N . GLY A 1 9 ? -56.825 14.333 -3.145 1.00 66.10 ? 36 GLY A N 1 ATOM 46 C CA . GLY A 1 9 ? -56.093 13.255 -2.492 1.00 68.07 ? 36 GLY A CA 1 ATOM 47 C C . GLY A 1 9 ? -55.254 13.759 -1.331 1.00 69.13 ? 36 GLY A C 1 ATOM 48 O O . GLY A 1 9 ? -54.579 14.770 -1.443 1.00 69.81 ? 36 GLY A O 1 ATOM 49 N N . VAL A 1 10 ? -55.296 13.039 -0.217 1.00 71.68 ? 37 VAL A N 1 ATOM 50 C CA . VAL A 1 10 ? -54.478 13.337 0.957 1.00 72.43 ? 37 VAL A CA 1 ATOM 51 C C . VAL A 1 10 ? -54.094 12.011 1.629 1.00 74.92 ? 37 VAL A C 1 ATOM 52 O O . VAL A 1 10 ? -54.801 11.011 1.480 1.00 75.49 ? 37 VAL A O 1 ATOM 53 C CB . VAL A 1 10 ? -55.239 14.286 1.918 1.00 72.63 ? 37 VAL A CB 1 ATOM 54 C CG1 . VAL A 1 10 ? -56.538 13.655 2.407 1.00 74.43 ? 37 VAL A CG1 1 ATOM 55 C CG2 . VAL A 1 10 ? -54.363 14.719 3.089 1.00 73.09 ? 37 VAL A CG2 1 ATOM 56 N N . ILE A 1 11 ? -52.977 12.007 2.349 1.00 77.31 ? 38 ILE A N 1 ATOM 57 C CA . ILE A 1 11 ? -52.484 10.809 3.036 1.00 81.05 ? 38 ILE A CA 1 ATOM 58 C C . ILE A 1 11 ? -52.828 10.822 4.535 1.00 84.63 ? 38 ILE A C 1 ATOM 59 O O . ILE A 1 11 ? -52.372 11.700 5.258 1.00 84.30 ? 38 ILE A O 1 ATOM 60 C CB . ILE A 1 11 ? -50.960 10.647 2.819 1.00 80.85 ? 38 ILE A CB 1 ATOM 61 C CG1 . ILE A 1 11 ? -50.682 10.381 1.331 1.00 79.82 ? 38 ILE A CG1 1 ATOM 62 C CG2 . ILE A 1 11 ? -50.400 9.508 3.665 1.00 83.50 ? 38 ILE A CG2 1 ATOM 63 C CD1 . ILE A 1 11 ? -49.245 10.593 0.904 1.00 79.51 ? 38 ILE A CD1 1 ATOM 64 N N . HIS A 1 12 ? -53.634 9.849 4.979 1.00 89.22 ? 39 HIS A N 1 ATOM 65 C CA . HIS A 1 12 ? -53.878 9.579 6.407 1.00 93.50 ? 39 HIS A CA 1 ATOM 66 C C . HIS A 1 12 ? -53.591 8.111 6.714 1.00 95.04 ? 39 HIS A C 1 ATOM 67 O O . HIS A 1 12 ? -53.887 7.238 5.889 1.00 95.28 ? 39 HIS A O 1 ATOM 68 C CB . HIS A 1 12 ? -55.332 9.865 6.796 1.00 97.86 ? 39 HIS A CB 1 ATOM 69 C CG . HIS A 1 12 ? -55.731 11.301 6.658 1.00 100.58 ? 39 HIS A CG 1 ATOM 70 N ND1 . HIS A 1 12 ? -57.006 11.687 6.296 1.00 102.46 ? 39 HIS A ND1 1 ATOM 71 C CD2 . HIS A 1 12 ? -55.025 12.444 6.827 1.00 99.96 ? 39 HIS A CD2 1 ATOM 72 C CE1 . HIS A 1 12 ? -57.068 13.006 6.254 1.00 101.28 ? 39 HIS A CE1 1 ATOM 73 N NE2 . HIS A 1 12 ? -55.878 13.488 6.567 1.00 100.12 ? 39 HIS A NE2 1 ATOM 74 N N . ASN A 1 13 ? -53.038 7.846 7.903 1.00 95.59 ? 40 ASN A N 1 ATOM 75 C CA . ASN A 1 13 ? -52.761 6.478 8.382 1.00 97.09 ? 40 ASN A CA 1 ATOM 76 C C . ASN A 1 13 ? -52.018 5.611 7.353 1.00 95.05 ? 40 ASN A C 1 ATOM 77 O O . ASN A 1 13 ? -52.400 4.470 7.091 1.00 96.93 ? 40 ASN A O 1 ATOM 78 C CB . ASN A 1 13 ? -54.065 5.790 8.808 1.00 99.18 ? 40 ASN A CB 1 ATOM 79 C CG . ASN A 1 13 ? -54.763 6.506 9.945 1.00 101.44 ? 40 ASN A CG 1 ATOM 80 O OD1 . ASN A 1 13 ? -54.124 7.064 10.832 1.00 102.87 ? 40 ASN A OD1 1 ATOM 81 N ND2 . ASN A 1 13 ? -56.086 6.470 9.938 1.00 103.50 ? 40 ASN A ND2 1 ATOM 82 N N . SER A 1 14 ? -50.962 6.178 6.775 1.00 91.58 ? 41 SER A N 1 ATOM 83 C CA . SER A 1 14 ? -50.169 5.533 5.732 1.00 89.81 ? 41 SER A CA 1 ATOM 84 C C . SER A 1 14 ? -51.025 5.040 4.556 1.00 89.68 ? 41 SER A C 1 ATOM 85 O O . SER A 1 14 ? -50.796 3.950 4.033 1.00 93.26 ? 41 SER A O 1 ATOM 86 C CB . SER A 1 14 ? -49.326 4.396 6.328 1.00 90.99 ? 41 SER A CB 1 ATOM 87 O OG . SER A 1 14 ? -48.484 4.873 7.361 1.00 90.03 ? 41 SER A OG 1 ATOM 88 N N . ALA A 1 15 ? -52.003 5.850 4.150 1.00 88.35 ? 42 ALA A N 1 ATOM 89 C CA . ALA A 1 15 ? -52.895 5.523 3.030 1.00 87.79 ? 42 ALA A CA 1 ATOM 90 C C . ALA A 1 15 ? -53.433 6.780 2.322 1.00 86.52 ? 42 ALA A C 1 ATOM 91 O O . ALA A 1 15 ? -53.789 7.765 2.968 1.00 86.26 ? 42 ALA A O 1 ATOM 92 C CB . ALA A 1 15 ? -54.053 4.677 3.520 1.00 89.06 ? 42 ALA A CB 1 ATOM 93 N N . LEU A 1 16 ? -53.493 6.734 0.995 1.00 84.79 ? 43 LEU A N 1 ATOM 94 C CA . LEU A 1 16 ? -54.113 7.798 0.223 1.00 82.98 ? 43 LEU A CA 1 ATOM 95 C C . LEU A 1 16 ? -55.621 7.706 0.411 1.00 84.73 ? 43 LEU A C 1 ATOM 96 O O . LEU A 1 16 ? -56.189 6.615 0.389 1.00 85.80 ? 43 LEU A O 1 ATOM 97 C CB . LEU A 1 16 ? -53.748 7.680 -1.257 1.00 81.00 ? 43 LEU A CB 1 ATOM 98 C CG . LEU A 1 16 ? -54.134 8.848 -2.164 1.00 79.97 ? 43 LEU A CG 1 ATOM 99 C CD1 . LEU A 1 16 ? -53.368 10.126 -1.822 1.00 78.69 ? 43 LEU A CD1 1 ATOM 100 C CD2 . LEU A 1 16 ? -53.901 8.456 -3.613 1.00 79.24 ? 43 LEU A CD2 1 ATOM 101 N N . GLN A 1 17 ? -56.254 8.856 0.629 1.00 86.68 ? 44 GLN A N 1 ATOM 102 C CA . GLN A 1 17 ? -57.702 8.947 0.817 1.00 87.64 ? 44 GLN A CA 1 ATOM 103 C C . GLN A 1 17 ? -58.228 10.167 0.099 1.00 85.53 ? 44 GLN A C 1 ATOM 104 O O . GLN A 1 17 ? -57.484 11.108 -0.131 1.00 82.94 ? 44 GLN A O 1 ATOM 105 C CB . GLN A 1 17 ? -58.038 9.069 2.297 1.00 90.38 ? 44 GLN A CB 1 ATOM 106 C CG . GLN A 1 17 ? -57.353 8.039 3.166 1.00 93.81 ? 44 GLN A CG 1 ATOM 107 C CD . GLN A 1 17 ? -57.916 7.989 4.561 1.00 97.78 ? 44 GLN A CD 1 ATOM 108 O OE1 . GLN A 1 17 ? -58.331 9.012 5.118 1.00 100.57 ? 44 GLN A OE1 1 ATOM 109 N NE2 . GLN A 1 17 ? -57.930 6.795 5.144 1.00 100.39 ? 44 GLN A NE2 1 ATOM 110 N N . VAL A 1 18 ? -59.509 10.143 -0.255 1.00 88.42 ? 45 VAL A N 1 ATOM 111 C CA . VAL A 1 18 ? -60.208 11.349 -0.684 1.00 88.70 ? 45 VAL A CA 1 ATOM 112 C C . VAL A 1 18 ? -60.510 12.150 0.563 1.00 89.17 ? 45 VAL A C 1 ATOM 113 O O . VAL A 1 18 ? -61.178 11.649 1.464 1.00 89.20 ? 45 VAL A O 1 ATOM 114 C CB . VAL A 1 18 ? -61.541 11.056 -1.408 1.00 90.72 ? 45 VAL A CB 1 ATOM 115 C CG1 . VAL A 1 18 ? -62.295 12.357 -1.707 1.00 91.36 ? 45 VAL A CG1 1 ATOM 116 C CG2 . VAL A 1 18 ? -61.291 10.262 -2.686 1.00 89.85 ? 45 VAL A CG2 1 ATOM 117 N N . SER A 1 19 ? -60.015 13.387 0.593 1.00 90.86 ? 46 SER A N 1 ATOM 118 C CA . SER A 1 19 ? -60.282 14.332 1.674 1.00 93.66 ? 46 SER A CA 1 ATOM 119 C C . SER A 1 19 ? -61.786 14.575 1.781 1.00 97.49 ? 46 SER A C 1 ATOM 120 O O . SER A 1 19 ? -62.412 15.035 0.824 1.00 96.36 ? 46 SER A O 1 ATOM 121 C CB . SER A 1 19 ? -59.544 15.649 1.410 1.00 91.68 ? 46 SER A CB 1 ATOM 122 O OG . SER A 1 19 ? -59.807 16.610 2.414 1.00 93.29 ? 46 SER A OG 1 ATOM 123 N N . ASP A 1 20 ? -62.353 14.242 2.940 1.00 103.61 ? 47 ASP A N 1 ATOM 124 C CA . ASP A 1 20 ? -63.796 14.342 3.160 1.00 109.50 ? 47 ASP A CA 1 ATOM 125 C C . ASP A 1 20 ? -64.201 15.813 3.323 1.00 109.47 ? 47 ASP A C 1 ATOM 126 O O . ASP A 1 20 ? -63.730 16.493 4.234 1.00 108.49 ? 47 ASP A O 1 ATOM 127 C CB . ASP A 1 20 ? -64.202 13.520 4.389 1.00 115.25 ? 47 ASP A CB 1 ATOM 128 C CG . ASP A 1 20 ? -65.689 13.214 4.421 1.00 121.16 ? 47 ASP A CG 1 ATOM 129 O OD1 . ASP A 1 20 ? -66.066 12.108 3.976 1.00 125.63 ? 47 ASP A OD1 1 ATOM 130 O OD2 . ASP A 1 20 ? -66.480 14.077 4.872 1.00 122.46 ? 47 ASP A OD2 1 ATOM 131 N N . VAL A 1 21 ? -65.076 16.287 2.436 1.00 111.25 ? 48 VAL A N 1 ATOM 132 C CA . VAL A 1 21 ? -65.421 17.718 2.341 1.00 112.49 ? 48 VAL A CA 1 ATOM 133 C C . VAL A 1 21 ? -66.140 18.225 3.592 1.00 114.54 ? 48 VAL A C 1 ATOM 134 O O . VAL A 1 21 ? -65.825 19.306 4.087 1.00 113.16 ? 48 VAL A O 1 ATOM 135 C CB . VAL A 1 21 ? -66.291 18.019 1.088 1.00 112.87 ? 48 VAL A CB 1 ATOM 136 C CG1 . VAL A 1 21 ? -66.765 19.475 1.066 1.00 112.71 ? 48 VAL A CG1 1 ATOM 137 C CG2 . VAL A 1 21 ? -65.523 17.696 -0.189 1.00 111.74 ? 48 VAL A CG2 1 ATOM 138 N N . ASP A 1 22 ? -67.090 17.435 4.091 1.00 117.66 ? 49 ASP A N 1 ATOM 139 C CA . ASP A 1 22 ? -67.948 17.839 5.212 1.00 121.63 ? 49 ASP A CA 1 ATOM 140 C C . ASP A 1 22 ? -67.235 17.907 6.568 1.00 120.79 ? 49 ASP A C 1 ATOM 141 O O . ASP A 1 22 ? -67.677 18.639 7.453 1.00 121.40 ? 49 ASP A O 1 ATOM 142 C CB . ASP A 1 22 ? -69.163 16.905 5.321 1.00 127.01 ? 49 ASP A CB 1 ATOM 143 C CG . ASP A 1 22 ? -70.040 16.920 4.069 1.00 129.09 ? 49 ASP A CG 1 ATOM 144 O OD1 . ASP A 1 22 ? -70.706 15.894 3.803 1.00 131.74 ? 49 ASP A OD1 1 ATOM 145 O OD2 . ASP A 1 22 ? -70.063 17.947 3.351 1.00 128.79 ? 49 ASP A OD2 1 ATOM 146 N N . LYS A 1 23 ? -66.149 17.150 6.729 1.00 119.54 ? 50 LYS A N 1 ATOM 147 C CA . LYS A 1 23 ? -65.370 17.142 7.971 1.00 119.33 ? 50 LYS A CA 1 ATOM 148 C C . LYS A 1 23 ? -64.097 17.976 7.828 1.00 115.28 ? 50 LYS A C 1 ATOM 149 O O . LYS A 1 23 ? -63.514 18.063 6.743 1.00 113.31 ? 50 LYS A O 1 ATOM 150 C CB . LYS A 1 23 ? -65.031 15.705 8.381 1.00 121.62 ? 50 LYS A CB 1 ATOM 151 C CG . LYS A 1 23 ? -66.256 14.800 8.434 1.00 126.11 ? 50 LYS A CG 1 ATOM 152 C CD . LYS A 1 23 ? -66.102 13.626 9.393 1.00 129.18 ? 50 LYS A CD 1 ATOM 153 C CE . LYS A 1 23 ? -67.433 12.917 9.621 1.00 132.70 ? 50 LYS A CE 1 ATOM 154 N NZ . LYS A 1 23 ? -68.409 13.722 10.415 1.00 135.30 ? 50 LYS A NZ 1 ATOM 155 N N . LEU A 1 24 ? -63.689 18.591 8.935 1.00 114.08 ? 51 LEU A N 1 ATOM 156 C CA . LEU A 1 24 ? -62.514 19.457 8.997 1.00 111.12 ? 51 LEU A CA 1 ATOM 157 C C . LEU A 1 24 ? -61.484 18.758 9.864 1.00 110.09 ? 51 LEU A C 1 ATOM 158 O O . LEU A 1 24 ? -61.787 18.375 10.994 1.00 112.31 ? 51 LEU A O 1 ATOM 159 C CB . LEU A 1 24 ? -62.894 20.810 9.619 1.00 112.39 ? 51 LEU A CB 1 ATOM 160 C CG . LEU A 1 24 ? -61.992 22.034 9.413 1.00 110.55 ? 51 LEU A CG 1 ATOM 161 C CD1 . LEU A 1 24 ? -62.605 23.231 10.124 1.00 111.23 ? 51 LEU A CD1 1 ATOM 162 C CD2 . LEU A 1 24 ? -60.567 21.815 9.896 1.00 109.89 ? 51 LEU A CD2 1 ATOM 163 N N . VAL A 1 25 ? -60.272 18.594 9.338 1.00 106.45 ? 52 VAL A N 1 ATOM 164 C CA . VAL A 1 25 ? -59.170 18.007 10.093 1.00 105.72 ? 52 VAL A CA 1 ATOM 165 C C . VAL A 1 25 ? -58.102 19.086 10.299 1.00 102.15 ? 52 VAL A C 1 ATOM 166 O O . VAL A 1 25 ? -57.332 19.387 9.388 1.00 99.09 ? 52 VAL A O 1 ATOM 167 C CB . VAL A 1 25 ? -58.583 16.765 9.375 1.00 106.76 ? 52 VAL A CB 1 ATOM 168 C CG1 . VAL A 1 25 ? -57.770 15.921 10.353 1.00 108.45 ? 52 VAL A CG1 1 ATOM 169 C CG2 . VAL A 1 25 ? -59.687 15.930 8.732 1.00 107.01 ? 52 VAL A CG2 1 ATOM 170 N N . CYS A 1 26 ? -58.074 19.677 11.493 1.00 102.09 ? 53 CYS A N 1 ATOM 171 C CA . CYS A 1 26 ? -57.078 20.706 11.833 1.00 102.01 ? 53 CYS A CA 1 ATOM 172 C C . CYS A 1 26 ? -55.635 20.179 11.831 1.00 104.25 ? 53 CYS A C 1 ATOM 173 O O . CYS A 1 26 ? -54.698 20.957 11.651 1.00 103.55 ? 53 CYS A O 1 ATOM 174 C CB . CYS A 1 26 ? -57.391 21.349 13.190 1.00 102.47 ? 53 CYS A CB 1 ATOM 175 S SG . CYS A 1 26 ? -58.888 22.365 13.231 1.00 102.11 ? 53 CYS A SG 1 ATOM 176 N N . ARG A 1 27 ? -55.464 18.872 12.046 1.00 109.53 ? 54 ARG A N 1 ATOM 177 C CA . ARG A 1 27 ? -54.157 18.209 11.926 1.00 111.57 ? 54 ARG A CA 1 ATOM 178 C C . ARG A 1 27 ? -53.568 18.341 10.512 1.00 106.38 ? 54 ARG A C 1 ATOM 179 O O . ARG A 1 27 ? -52.350 18.447 10.371 1.00 104.26 ? 54 ARG A O 1 ATOM 180 C CB . ARG A 1 27 ? -54.253 16.725 12.352 1.00 117.80 ? 54 ARG A CB 1 ATOM 181 C CG . ARG A 1 27 ? -52.990 15.888 12.129 1.00 121.98 ? 54 ARG A CG 1 ATOM 182 C CD . ARG A 1 27 ? -53.052 14.518 12.801 1.00 128.09 ? 54 ARG A CD 1 ATOM 183 N NE . ARG A 1 27 ? -52.578 14.553 14.194 1.00 133.89 ? 54 ARG A NE 1 ATOM 184 C CZ . ARG A 1 27 ? -53.190 14.020 15.264 1.00 139.39 ? 54 ARG A CZ 1 ATOM 185 N NH1 . ARG A 1 27 ? -52.621 14.142 16.465 1.00 141.81 ? 54 ARG A NH1 1 ATOM 186 N NH2 . ARG A 1 27 ? -54.346 13.358 15.170 1.00 140.99 ? 54 ARG A NH2 1 ATOM 187 N N . ASP A 1 28 ? -54.419 18.331 9.481 1.00 103.52 ? 55 ASP A N 1 ATOM 188 C CA . ASP A 1 28 ? -53.959 18.530 8.099 1.00 100.53 ? 55 ASP A CA 1 ATOM 189 C C . ASP A 1 28 ? -53.356 19.921 7.956 1.00 96.67 ? 55 ASP A C 1 ATOM 190 O O . ASP A 1 28 ? -53.897 20.893 8.488 1.00 95.17 ? 55 ASP A O 1 ATOM 191 C CB . ASP A 1 28 ? -55.099 18.362 7.078 1.00 101.85 ? 55 ASP A CB 1 ATOM 192 C CG . ASP A 1 28 ? -55.555 16.909 6.912 1.00 104.24 ? 55 ASP A CG 1 ATOM 193 O OD1 . ASP A 1 28 ? -56.640 16.692 6.323 1.00 105.47 ? 55 ASP A OD1 1 ATOM 194 O OD2 . ASP A 1 28 ? -54.843 15.976 7.345 1.00 104.59 ? 55 ASP A OD2 1 ATOM 195 N N . LYS A 1 29 ? -52.236 20.001 7.240 1.00 92.57 ? 56 LYS A N 1 ATOM 196 C CA . LYS A 1 29 ? -51.488 21.242 7.106 1.00 91.24 ? 56 LYS A CA 1 ATOM 197 C C . LYS A 1 29 ? -51.181 21.583 5.640 1.00 85.18 ? 56 LYS A C 1 ATOM 198 O O . LYS A 1 29 ? -50.538 20.804 4.941 1.00 85.59 ? 56 LYS A O 1 ATOM 199 C CB . LYS A 1 29 ? -50.200 21.146 7.919 1.00 95.27 ? 56 LYS A CB 1 ATOM 200 C CG . LYS A 1 29 ? -49.496 22.482 8.088 1.00 101.10 ? 56 LYS A CG 1 ATOM 201 C CD . LYS A 1 29 ? -48.609 22.524 9.321 1.00 106.34 ? 56 LYS A CD 1 ATOM 202 C CE . LYS A 1 29 ? -48.100 23.939 9.549 1.00 109.69 ? 56 LYS A CE 1 ATOM 203 N NZ . LYS A 1 29 ? -47.243 24.041 10.763 1.00 113.34 ? 56 LYS A NZ 1 ATOM 204 N N . LEU A 1 30 ? -51.663 22.738 5.178 1.00 80.06 ? 57 LEU A N 1 ATOM 205 C CA . LEU A 1 30 ? -51.275 23.295 3.876 1.00 76.44 ? 57 LEU A CA 1 ATOM 206 C C . LEU A 1 30 ? -50.501 24.599 4.101 1.00 75.74 ? 57 LEU A C 1 ATOM 207 O O . LEU A 1 30 ? -51.089 25.676 4.208 1.00 75.41 ? 57 LEU A O 1 ATOM 208 C CB . LEU A 1 30 ? -52.510 23.520 2.995 1.00 74.06 ? 57 LEU A CB 1 ATOM 209 C CG . LEU A 1 30 ? -52.289 23.920 1.532 1.00 71.52 ? 57 LEU A CG 1 ATOM 210 C CD1 . LEU A 1 30 ? -51.674 22.800 0.707 1.00 70.11 ? 57 LEU A CD1 1 ATOM 211 C CD2 . LEU A 1 30 ? -53.611 24.335 0.908 1.00 71.74 ? 57 LEU A CD2 1 ATOM 212 N N . SER A 1 31 ? -49.179 24.487 4.206 1.00 75.34 ? 58 SER A N 1 ATOM 213 C CA . SER A 1 31 ? -48.320 25.646 4.470 1.00 76.30 ? 58 SER A CA 1 ATOM 214 C C . SER A 1 31 ? -47.976 26.428 3.201 1.00 73.05 ? 58 SER A C 1 ATOM 215 O O . SER A 1 31 ? -47.542 27.580 3.269 1.00 72.66 ? 58 SER A O 1 ATOM 216 C CB . SER A 1 31 ? -47.037 25.209 5.181 1.00 78.51 ? 58 SER A CB 1 ATOM 217 O OG . SER A 1 31 ? -46.220 24.438 4.321 1.00 81.33 ? 58 SER A OG 1 ATOM 218 N N . SER A 1 32 ? -48.161 25.801 2.050 1.00 70.39 ? 59 SER A N 1 ATOM 219 C CA . SER A 1 32 ? -47.822 26.430 0.788 1.00 70.08 ? 59 SER A CA 1 ATOM 220 C C . SER A 1 32 ? -48.631 25.828 -0.334 1.00 67.86 ? 59 SER A C 1 ATOM 221 O O . SER A 1 32 ? -49.054 24.674 -0.274 1.00 67.23 ? 59 SER A O 1 ATOM 222 C CB . SER A 1 32 ? -46.325 26.251 0.502 1.00 71.19 ? 59 SER A CB 1 ATOM 223 O OG . SER A 1 32 ? -46.043 26.277 -0.885 1.00 70.09 ? 59 SER A OG 1 ATOM 224 N N . THR A 1 33 ? -48.790 26.612 -1.384 1.00 66.73 ? 60 THR A N 1 ATOM 225 C CA . THR A 1 33 ? -49.553 26.196 -2.542 1.00 66.87 ? 60 THR A CA 1 ATOM 226 C C . THR A 1 33 ? -48.745 25.219 -3.433 1.00 67.20 ? 60 THR A C 1 ATOM 227 O O . THR A 1 33 ? -49.309 24.597 -4.326 1.00 66.54 ? 60 THR A O 1 ATOM 228 C CB . THR A 1 33 ? -50.095 27.444 -3.277 1.00 67.39 ? 60 THR A CB 1 ATOM 229 O OG1 . THR A 1 33 ? -51.263 27.110 -4.023 1.00 70.16 ? 60 THR A OG1 1 ATOM 230 C CG2 . THR A 1 33 ? -49.074 28.053 -4.177 1.00 66.85 ? 60 THR A CG2 1 ATOM 231 N N . ASN A 1 34 ? -47.439 25.087 -3.172 1.00 70.21 ? 61 ASN A N 1 ATOM 232 C CA . ASN A 1 34 ? -46.599 24.000 -3.717 1.00 71.80 ? 61 ASN A CA 1 ATOM 233 C C . ASN A 1 34 ? -46.965 22.613 -3.252 1.00 69.06 ? 61 ASN A C 1 ATOM 234 O O . ASN A 1 34 ? -46.692 21.663 -3.952 1.00 69.53 ? 61 ASN A O 1 ATOM 235 C CB . ASN A 1 34 ? -45.127 24.174 -3.323 1.00 77.19 ? 61 ASN A CB 1 ATOM 236 C CG . ASN A 1 34 ? -44.478 25.341 -4.010 1.00 81.31 ? 61 ASN A CG 1 ATOM 237 O OD1 . ASN A 1 34 ? -44.814 25.665 -5.155 1.00 86.51 ? 61 ASN A OD1 1 ATOM 238 N ND2 . ASN A 1 34 ? -43.536 25.987 -3.320 1.00 83.71 ? 61 ASN A ND2 1 ATOM 239 N N . GLN A 1 35 ? -47.511 22.489 -2.051 1.00 68.47 ? 62 GLN A N 1 ATOM 240 C CA . GLN A 1 35 ? -47.986 21.198 -1.560 1.00 68.70 ? 62 GLN A CA 1 ATOM 241 C C . GLN A 1 35 ? -49.164 20.648 -2.371 1.00 65.60 ? 62 GLN A C 1 ATOM 242 O O . GLN A 1 35 ? -49.471 19.465 -2.269 1.00 63.69 ? 62 GLN A O 1 ATOM 243 C CB . GLN A 1 35 ? -48.399 21.289 -0.085 1.00 72.54 ? 62 GLN A CB 1 ATOM 244 C CG . GLN A 1 35 ? -47.274 21.546 0.908 1.00 74.75 ? 62 GLN A CG 1 ATOM 245 C CD . GLN A 1 35 ? -47.784 21.610 2.341 1.00 77.89 ? 62 GLN A CD 1 ATOM 246 O OE1 . GLN A 1 35 ? -47.609 22.620 3.028 1.00 80.92 ? 62 GLN A OE1 1 ATOM 247 N NE2 . GLN A 1 35 ? -48.440 20.542 2.793 1.00 77.38 ? 62 GLN A NE2 1 ATOM 248 N N . LEU A 1 36 ? -49.842 21.512 -3.130 1.00 64.00 ? 63 LEU A N 1 ATOM 249 C CA . LEU A 1 36 ? -50.922 21.096 -4.015 1.00 62.76 ? 63 LEU A CA 1 ATOM 250 C C . LEU A 1 36 ? -50.349 20.705 -5.358 1.00 62.65 ? 63 LEU A C 1 ATOM 251 O O . LEU A 1 36 ? -49.485 21.400 -5.887 1.00 63.34 ? 63 LEU A O 1 ATOM 252 C CB . LEU A 1 36 ? -51.975 22.204 -4.153 1.00 61.64 ? 63 LEU A CB 1 ATOM 253 C CG . LEU A 1 36 ? -52.816 22.349 -2.882 1.00 62.38 ? 63 LEU A CG 1 ATOM 254 C CD1 . LEU A 1 36 ? -53.629 23.624 -2.912 1.00 62.40 ? 63 LEU A CD1 1 ATOM 255 C CD2 . LEU A 1 36 ? -53.730 21.142 -2.695 1.00 63.03 ? 63 LEU A CD2 1 ATOM 256 N N . ARG A 1 37 ? -50.812 19.578 -5.893 1.00 63.73 ? 64 ARG A N 1 ATOM 257 C CA . ARG A 1 37 ? -50.309 19.049 -7.155 1.00 64.45 ? 64 ARG A CA 1 ATOM 258 C C . ARG A 1 37 ? -51.444 18.492 -7.988 1.00 63.60 ? 64 ARG A C 1 ATOM 259 O O . ARG A 1 37 ? -52.385 17.929 -7.454 1.00 63.46 ? 64 ARG A O 1 ATOM 260 C CB . ARG A 1 37 ? -49.289 17.925 -6.915 1.00 66.27 ? 64 ARG A CB 1 ATOM 261 C CG . ARG A 1 37 ? -48.086 18.281 -6.050 1.00 68.48 ? 64 ARG A CG 1 ATOM 262 C CD . ARG A 1 37 ? -47.147 19.278 -6.714 1.00 70.32 ? 64 ARG A CD 1 ATOM 263 N NE . ARG A 1 37 ? -46.197 19.850 -5.765 1.00 73.17 ? 64 ARG A NE 1 ATOM 264 C CZ . ARG A 1 37 ? -45.112 19.239 -5.285 1.00 75.04 ? 64 ARG A CZ 1 ATOM 265 N NH1 . ARG A 1 37 ? -44.783 18.004 -5.657 1.00 76.39 ? 64 ARG A NH1 1 ATOM 266 N NH2 . ARG A 1 37 ? -44.342 19.877 -4.413 1.00 77.01 ? 64 ARG A NH2 1 ATOM 267 N N . SER A 1 38 ? -51.335 18.665 -9.300 1.00 63.99 ? 65 SER A N 1 ATOM 268 C CA . SER A 1 38 ? -52.238 18.064 -10.270 1.00 63.67 ? 65 SER A CA 1 ATOM 269 C C . SER A 1 38 ? -51.409 17.171 -11.177 1.00 63.58 ? 65 SER A C 1 ATOM 270 O O . SER A 1 38 ? -50.325 17.538 -11.636 1.00 62.34 ? 65 SER A O 1 ATOM 271 C CB . SER A 1 38 ? -52.947 19.126 -11.093 1.00 62.09 ? 65 SER A CB 1 ATOM 272 O OG . SER A 1 38 ? -51.992 19.972 -11.675 1.00 63.72 ? 65 SER A OG 1 ATOM 273 N N . VAL A 1 39 ? -51.960 16.009 -11.472 1.00 63.88 ? 66 VAL A N 1 ATOM 274 C CA . VAL A 1 39 ? -51.156 14.880 -11.855 1.00 63.54 ? 66 VAL A CA 1 ATOM 275 C C . VAL A 1 39 ? -51.913 14.058 -12.896 1.00 62.63 ? 66 VAL A C 1 ATOM 276 O O . VAL A 1 39 ? -53.128 13.922 -12.810 1.00 64.40 ? 66 VAL A O 1 ATOM 277 C CB . VAL A 1 39 ? -50.805 14.141 -10.546 1.00 65.43 ? 66 VAL A CB 1 ATOM 278 C CG1 . VAL A 1 39 ? -51.125 12.662 -10.583 1.00 67.88 ? 66 VAL A CG1 1 ATOM 279 C CG2 . VAL A 1 39 ? -49.362 14.406 -10.158 1.00 65.95 ? 66 VAL A CG2 1 ATOM 280 N N . GLY A 1 40 ? -51.196 13.545 -13.887 1.00 60.80 ? 67 GLY A N 1 ATOM 281 C CA . GLY A 1 40 ? -51.792 12.719 -14.937 1.00 61.51 ? 67 GLY A CA 1 ATOM 282 C C . GLY A 1 40 ? -51.308 11.276 -14.885 1.00 62.26 ? 67 GLY A C 1 ATOM 283 O O . GLY A 1 40 ? -50.100 11.011 -14.954 1.00 60.61 ? 67 GLY A O 1 ATOM 284 N N . LEU A 1 41 ? -52.254 10.349 -14.764 1.00 63.21 ? 68 LEU A N 1 ATOM 285 C CA . LEU A 1 41 ? -51.966 8.912 -14.784 1.00 64.14 ? 68 LEU A CA 1 ATOM 286 C C . LEU A 1 41 ? -52.550 8.285 -16.054 1.00 64.15 ? 68 LEU A C 1 ATOM 287 O O . LEU A 1 41 ? -53.689 8.574 -16.434 1.00 64.95 ? 68 LEU A O 1 ATOM 288 C CB . LEU A 1 41 ? -52.548 8.226 -13.539 1.00 64.95 ? 68 LEU A CB 1 ATOM 289 C CG . LEU A 1 41 ? -51.877 8.426 -12.171 1.00 65.37 ? 68 LEU A CG 1 ATOM 290 C CD1 . LEU A 1 41 ? -50.363 8.274 -12.210 1.00 65.81 ? 68 LEU A CD1 1 ATOM 291 C CD2 . LEU A 1 41 ? -52.225 9.772 -11.589 1.00 64.54 ? 68 LEU A CD2 1 ATOM 292 N N . ASN A 1 42 ? -51.773 7.407 -16.684 1.00 64.54 ? 69 ASN A N 1 ATOM 293 C CA . ASN A 1 42 ? -52.122 6.821 -17.980 1.00 65.12 ? 69 ASN A CA 1 ATOM 294 C C . ASN A 1 42 ? -53.015 5.595 -17.825 1.00 66.90 ? 69 ASN A C 1 ATOM 295 O O . ASN A 1 42 ? -52.855 4.844 -16.869 1.00 67.66 ? 69 ASN A O 1 ATOM 296 C CB . ASN A 1 42 ? -50.840 6.434 -18.735 1.00 65.42 ? 69 ASN A CB 1 ATOM 297 C CG . ASN A 1 42 ? -49.914 7.622 -18.968 1.00 64.22 ? 69 ASN A CG 1 ATOM 298 O OD1 . ASN A 1 42 ? -50.366 8.767 -19.066 1.00 63.32 ? 69 ASN A OD1 1 ATOM 299 N ND2 . ASN A 1 42 ? -48.614 7.357 -19.067 1.00 64.53 ? 69 ASN A ND2 1 ATOM 300 N N . LEU A 1 43 ? -53.933 5.390 -18.774 1.00 68.46 ? 70 LEU A N 1 ATOM 301 C CA . LEU A 1 43 ? -54.836 4.225 -18.761 1.00 71.84 ? 70 LEU A CA 1 ATOM 302 C C . LEU A 1 43 ? -54.122 2.884 -18.891 1.00 73.45 ? 70 LEU A C 1 ATOM 303 O O . LEU A 1 43 ? -54.597 1.878 -18.367 1.00 74.59 ? 70 LEU A O 1 ATOM 304 C CB . LEU A 1 43 ? -55.875 4.302 -19.883 1.00 73.26 ? 70 LEU A CB 1 ATOM 305 C CG . LEU A 1 43 ? -57.018 5.315 -19.848 1.00 74.62 ? 70 LEU A CG 1 ATOM 306 C CD1 . LEU A 1 43 ? -58.215 4.709 -20.573 1.00 76.13 ? 70 LEU A CD1 1 ATOM 307 C CD2 . LEU A 1 43 ? -57.424 5.723 -18.437 1.00 75.17 ? 70 LEU A CD2 1 ATOM 308 N N . GLU A 1 44 ? -53.038 2.870 -19.662 1.00 74.40 ? 71 GLU A N 1 ATOM 309 C CA . GLU A 1 44 ? -52.046 1.785 -19.673 1.00 75.35 ? 71 GLU A CA 1 ATOM 310 C C . GLU A 1 44 ? -51.856 1.106 -18.331 1.00 74.71 ? 71 GLU A C 1 ATOM 311 O O . GLU A 1 44 ? -51.949 -0.113 -18.232 1.00 75.60 ? 71 GLU A O 1 ATOM 312 C CB . GLU A 1 44 ? -50.689 2.367 -20.036 1.00 77.30 ? 71 GLU A CB 1 ATOM 313 C CG . GLU A 1 44 ? -50.314 2.257 -21.485 1.00 78.87 ? 71 GLU A CG 1 ATOM 314 C CD . GLU A 1 44 ? -48.984 2.915 -21.767 1.00 80.24 ? 71 GLU A CD 1 ATOM 315 O OE1 . GLU A 1 44 ? -48.393 3.565 -20.874 1.00 79.34 ? 71 GLU A OE1 1 ATOM 316 O OE2 . GLU A 1 44 ? -48.516 2.778 -22.907 1.00 84.35 ? 71 GLU A OE2 1 ATOM 317 N N . GLY A 1 45 ? -51.579 1.918 -17.309 1.00 71.96 ? 72 GLY A N 1 ATOM 318 C CA . GLY A 1 45 ? -51.286 1.434 -15.962 1.00 72.12 ? 72 GLY A CA 1 ATOM 319 C C . GLY A 1 45 ? -52.453 0.810 -15.212 1.00 72.35 ? 72 GLY A C 1 ATOM 320 O O . GLY A 1 45 ? -52.270 0.328 -14.097 1.00 72.88 ? 72 GLY A O 1 ATOM 321 N N . ASN A 1 46 ? -53.648 0.858 -15.803 1.00 72.12 ? 73 ASN A N 1 ATOM 322 C CA . ASN A 1 46 ? -54.826 0.136 -15.319 1.00 73.38 ? 73 ASN A CA 1 ATOM 323 C C . ASN A 1 46 ? -55.095 -1.167 -16.069 1.00 74.60 ? 73 ASN A C 1 ATOM 324 O O . ASN A 1 46 ? -56.054 -1.879 -15.743 1.00 76.24 ? 73 ASN A O 1 ATOM 325 C CB . ASN A 1 46 ? -56.071 1.018 -15.434 1.00 72.74 ? 73 ASN A CB 1 ATOM 326 C CG . ASN A 1 46 ? -55.938 2.329 -14.704 1.00 69.89 ? 73 ASN A CG 1 ATOM 327 O OD1 . ASN A 1 46 ? -56.628 3.280 -15.031 1.00 70.63 ? 73 ASN A OD1 1 ATOM 328 N ND2 . ASN A 1 46 ? -55.066 2.387 -13.712 1.00 69.91 ? 73 ASN A ND2 1 ATOM 329 N N . GLY A 1 47 ? -54.277 -1.461 -17.080 1.00 74.10 ? 74 GLY A N 1 ATOM 330 C CA . GLY A 1 47 ? -54.312 -2.745 -17.788 1.00 75.27 ? 74 GLY A CA 1 ATOM 331 C C . GLY A 1 47 ? -55.138 -2.777 -19.059 1.00 74.26 ? 74 GLY A C 1 ATOM 332 O O . GLY A 1 47 ? -55.479 -3.854 -19.537 1.00 77.06 ? 74 GLY A O 1 ATOM 333 N N . VAL A 1 48 ? -55.442 -1.614 -19.625 1.00 72.01 ? 75 VAL A N 1 ATOM 334 C CA . VAL A 1 48 ? -56.270 -1.556 -20.828 1.00 72.31 ? 75 VAL A CA 1 ATOM 335 C C . VAL A 1 48 ? -55.463 -2.005 -22.040 1.00 73.07 ? 75 VAL A C 1 ATOM 336 O O . VAL A 1 48 ? -54.233 -1.857 -22.076 1.00 72.93 ? 75 VAL A O 1 ATOM 337 C CB . VAL A 1 48 ? -56.862 -0.149 -21.097 1.00 70.93 ? 75 VAL A CB 1 ATOM 338 C CG1 . VAL A 1 48 ? -57.618 0.366 -19.875 1.00 70.54 ? 75 VAL A CG1 1 ATOM 339 C CG2 . VAL A 1 48 ? -55.788 0.846 -21.543 1.00 69.56 ? 75 VAL A CG2 1 ATOM 340 N N . ALA A 1 49 ? -56.166 -2.561 -23.022 1.00 73.58 ? 76 ALA A N 1 ATOM 341 C CA . ALA A 1 49 ? -55.569 -2.904 -24.298 1.00 73.39 ? 76 ALA A CA 1 ATOM 342 C C . ALA A 1 49 ? -55.009 -1.633 -24.942 1.00 71.92 ? 76 ALA A C 1 ATOM 343 O O . ALA A 1 49 ? -55.704 -0.621 -25.031 1.00 70.98 ? 76 ALA A O 1 ATOM 344 C CB . ALA A 1 49 ? -56.608 -3.546 -25.198 1.00 74.37 ? 76 ALA A CB 1 ATOM 345 N N . THR A 1 50 ? -53.749 -1.686 -25.356 1.00 72.46 ? 77 THR A N 1 ATOM 346 C CA . THR A 1 50 ? -53.063 -0.538 -25.960 1.00 71.12 ? 77 THR A CA 1 ATOM 347 C C . THR A 1 50 ? -52.782 -0.679 -27.464 1.00 71.98 ? 77 THR A C 1 ATOM 348 O O . THR A 1 50 ? -52.294 0.269 -28.084 1.00 71.49 ? 77 THR A O 1 ATOM 349 C CB . THR A 1 50 ? -51.735 -0.274 -25.235 1.00 70.64 ? 77 THR A CB 1 ATOM 350 O OG1 . THR A 1 50 ? -50.793 -1.316 -25.538 1.00 72.90 ? 77 THR A OG1 1 ATOM 351 C CG2 . THR A 1 50 ? -51.960 -0.218 -23.741 1.00 70.14 ? 77 THR A CG2 1 ATOM 352 N N . ASP A 1 51 ? -53.063 -1.849 -28.044 1.00 73.25 ? 78 ASP A N 1 ATOM 353 C CA . ASP A 1 51 ? -53.024 -2.019 -29.500 1.00 74.38 ? 78 ASP A CA 1 ATOM 354 C C . ASP A 1 51 ? -53.942 -1.018 -30.220 1.00 73.32 ? 78 ASP A C 1 ATOM 355 O O . ASP A 1 51 ? -55.001 -0.647 -29.705 1.00 72.61 ? 78 ASP A O 1 ATOM 356 C CB . ASP A 1 51 ? -53.398 -3.450 -29.895 1.00 77.44 ? 78 ASP A CB 1 ATOM 357 C CG . ASP A 1 51 ? -54.808 -3.831 -29.469 1.00 79.49 ? 78 ASP A CG 1 ATOM 358 O OD1 . ASP A 1 51 ? -55.000 -4.201 -28.293 1.00 80.85 ? 78 ASP A OD1 1 ATOM 359 O OD2 . ASP A 1 51 ? -55.724 -3.768 -30.313 1.00 81.24 ? 78 ASP A OD2 1 ATOM 360 N N . VAL A 1 52 ? -53.524 -0.583 -31.406 1.00 73.59 ? 79 VAL A N 1 ATOM 361 C CA . VAL A 1 52 ? -54.245 0.456 -32.154 1.00 73.37 ? 79 VAL A CA 1 ATOM 362 C C . VAL A 1 52 ? -55.726 0.128 -32.387 1.00 74.72 ? 79 VAL A C 1 ATOM 363 O O . VAL A 1 52 ? -56.574 0.983 -32.144 1.00 73.61 ? 79 VAL A O 1 ATOM 364 C CB . VAL A 1 52 ? -53.525 0.809 -33.485 1.00 73.77 ? 79 VAL A CB 1 ATOM 365 C CG1 . VAL A 1 52 ? -54.444 1.545 -34.458 1.00 73.69 ? 79 VAL A CG1 1 ATOM 366 C CG2 . VAL A 1 52 ? -52.293 1.655 -33.193 1.00 72.54 ? 79 VAL A CG2 1 ATOM 367 N N . PRO A 1 53 ? -56.042 -1.100 -32.851 1.00 77.33 ? 80 PRO A N 1 ATOM 368 C CA . PRO A 1 53 ? -57.452 -1.458 -33.072 1.00 78.60 ? 80 PRO A CA 1 ATOM 369 C C . PRO A 1 53 ? -58.340 -1.304 -31.838 1.00 78.20 ? 80 PRO A C 1 ATOM 370 O O . PRO A 1 53 ? -59.450 -0.802 -31.956 1.00 78.51 ? 80 PRO A O 1 ATOM 371 C CB . PRO A 1 53 ? -57.384 -2.931 -33.485 1.00 80.16 ? 80 PRO A CB 1 ATOM 372 C CG . PRO A 1 53 ? -56.025 -3.100 -34.051 1.00 80.35 ? 80 PRO A CG 1 ATOM 373 C CD . PRO A 1 53 ? -55.139 -2.194 -33.255 1.00 78.39 ? 80 PRO A CD 1 ATOM 374 N N . SER A 1 54 ? -57.842 -1.731 -30.680 1.00 78.46 ? 81 SER A N 1 ATOM 375 C CA . SER A 1 54 ? -58.590 -1.666 -29.422 1.00 78.75 ? 81 SER A CA 1 ATOM 376 C C . SER A 1 54 ? -58.662 -0.242 -28.877 1.00 77.98 ? 81 SER A C 1 ATOM 377 O O . SER A 1 54 ? -59.682 0.159 -28.305 1.00 79.22 ? 81 SER A O 1 ATOM 378 C CB . SER A 1 54 ? -57.954 -2.588 -28.380 1.00 79.22 ? 81 SER A CB 1 ATOM 379 O OG . SER A 1 54 ? -57.925 -3.928 -28.847 1.00 83.06 ? 81 SER A OG 1 ATOM 380 N N . ALA A 1 55 ? -57.576 0.509 -29.055 1.00 76.29 ? 82 ALA A N 1 ATOM 381 C CA . ALA A 1 55 ? -57.479 1.878 -28.570 1.00 74.33 ? 82 ALA A CA 1 ATOM 382 C C . ALA A 1 55 ? -58.414 2.831 -29.314 1.00 74.42 ? 82 ALA A C 1 ATOM 383 O O . ALA A 1 55 ? -59.079 3.664 -28.702 1.00 73.92 ? 82 ALA A O 1 ATOM 384 C CB . ALA A 1 55 ? -56.041 2.364 -28.685 1.00 73.07 ? 82 ALA A CB 1 ATOM 385 N N . THR A 1 56 ? -58.464 2.708 -30.633 1.00 75.69 ? 83 THR A N 1 ATOM 386 C CA . THR A 1 56 ? -59.277 3.608 -31.449 1.00 76.12 ? 83 THR A CA 1 ATOM 387 C C . THR A 1 56 ? -60.778 3.393 -31.242 1.00 77.97 ? 83 THR A C 1 ATOM 388 O O . THR A 1 56 ? -61.553 4.345 -31.359 1.00 77.25 ? 83 THR A O 1 ATOM 389 C CB . THR A 1 56 ? -58.946 3.472 -32.941 1.00 76.19 ? 83 THR A CB 1 ATOM 390 O OG1 . THR A 1 56 ? -59.053 2.096 -33.322 1.00 79.33 ? 83 THR A OG1 1 ATOM 391 C CG2 . THR A 1 56 ? -57.542 3.974 -33.214 1.00 75.09 ? 83 THR A CG2 1 ATOM 392 N N . LYS A 1 57 ? -61.181 2.161 -30.920 1.00 79.48 ? 84 LYS A N 1 ATOM 393 C CA . LYS A 1 57 ? -62.586 1.867 -30.629 1.00 81.05 ? 84 LYS A CA 1 ATOM 394 C C . LYS A 1 57 ? -63.096 2.558 -29.364 1.00 78.22 ? 84 LYS A C 1 ATOM 395 O O . LYS A 1 57 ? -64.305 2.676 -29.183 1.00 78.84 ? 84 LYS A O 1 ATOM 396 C CB . LYS A 1 57 ? -62.841 0.351 -30.548 1.00 86.62 ? 84 LYS A CB 1 ATOM 397 C CG . LYS A 1 57 ? -62.854 -0.357 -31.905 1.00 90.27 ? 84 LYS A CG 1 ATOM 398 C CD . LYS A 1 57 ? -63.808 -1.536 -31.937 1.00 95.36 ? 84 LYS A CD 1 ATOM 399 C CE . LYS A 1 57 ? -63.281 -2.721 -31.143 1.00 98.86 ? 84 LYS A CE 1 ATOM 400 N NZ . LYS A 1 57 ? -62.384 -3.576 -31.973 1.00 101.00 ? 84 LYS A NZ 1 ATOM 401 N N . ARG A 1 58 ? -62.184 3.006 -28.498 1.00 75.76 ? 85 ARG A N 1 ATOM 402 C CA . ARG A 1 58 ? -62.530 3.863 -27.347 1.00 73.49 ? 85 ARG A CA 1 ATOM 403 C C . ARG A 1 58 ? -62.794 5.346 -27.666 1.00 71.28 ? 85 ARG A C 1 ATOM 404 O O . ARG A 1 58 ? -63.213 6.084 -26.772 1.00 71.15 ? 85 ARG A O 1 ATOM 405 C CB . ARG A 1 58 ? -61.436 3.788 -26.272 1.00 71.82 ? 85 ARG A CB 1 ATOM 406 C CG . ARG A 1 58 ? -61.267 2.408 -25.659 1.00 72.41 ? 85 ARG A CG 1 ATOM 407 C CD . ARG A 1 58 ? -60.434 2.456 -24.389 1.00 70.95 ? 85 ARG A CD 1 ATOM 408 N NE . ARG A 1 58 ? -59.017 2.691 -24.665 1.00 69.38 ? 85 ARG A NE 1 ATOM 409 C CZ . ARG A 1 58 ? -58.073 1.753 -24.757 1.00 69.44 ? 85 ARG A CZ 1 ATOM 410 N NH1 . ARG A 1 58 ? -56.822 2.117 -24.995 1.00 67.68 ? 85 ARG A NH1 1 ATOM 411 N NH2 . ARG A 1 58 ? -58.348 0.456 -24.614 1.00 71.52 ? 85 ARG A NH2 1 ATOM 412 N N . TRP A 1 59 ? -62.530 5.793 -28.897 1.00 69.71 ? 86 TRP A N 1 ATOM 413 C CA . TRP A 1 59 ? -62.738 7.195 -29.279 1.00 67.76 ? 86 TRP A CA 1 ATOM 414 C C . TRP A 1 59 ? -63.836 7.290 -30.323 1.00 68.39 ? 86 TRP A C 1 ATOM 415 O O . TRP A 1 59 ? -64.053 6.353 -31.072 1.00 71.21 ? 86 TRP A O 1 ATOM 416 C CB . TRP A 1 59 ? -61.439 7.838 -29.792 1.00 66.19 ? 86 TRP A CB 1 ATOM 417 C CG . TRP A 1 59 ? -60.220 7.399 -29.032 1.00 64.95 ? 86 TRP A CG 1 ATOM 418 C CD1 . TRP A 1 59 ? -60.125 7.189 -27.688 1.00 64.48 ? 86 TRP A CD1 1 ATOM 419 C CD2 . TRP A 1 59 ? -58.933 7.103 -29.575 1.00 64.20 ? 86 TRP A CD2 1 ATOM 420 N NE1 . TRP A 1 59 ? -58.864 6.765 -27.360 1.00 63.98 ? 86 TRP A NE1 1 ATOM 421 C CE2 . TRP A 1 59 ? -58.108 6.705 -28.502 1.00 64.85 ? 86 TRP A CE2 1 ATOM 422 C CE3 . TRP A 1 59 ? -58.394 7.135 -30.862 1.00 64.69 ? 86 TRP A CE3 1 ATOM 423 C CZ2 . TRP A 1 59 ? -56.762 6.336 -28.682 1.00 65.01 ? 86 TRP A CZ2 1 ATOM 424 C CZ3 . TRP A 1 59 ? -57.059 6.762 -31.040 1.00 65.16 ? 86 TRP A CZ3 1 ATOM 425 C CH2 . TRP A 1 59 ? -56.261 6.371 -29.952 1.00 64.30 ? 86 TRP A CH2 1 ATOM 426 N N . GLY A 1 60 ? -64.531 8.423 -30.350 1.00 68.11 ? 87 GLY A N 1 ATOM 427 C CA . GLY A 1 60 ? -65.665 8.637 -31.252 1.00 68.79 ? 87 GLY A CA 1 ATOM 428 C C . GLY A 1 60 ? -66.015 10.105 -31.473 1.00 68.34 ? 87 GLY A C 1 ATOM 429 O O . GLY A 1 60 ? -65.756 10.963 -30.622 1.00 66.10 ? 87 GLY A O 1 ATOM 430 N N . PHE A 1 61 ? -66.626 10.377 -32.622 1.00 69.55 ? 88 PHE A N 1 ATOM 431 C CA . PHE A 1 61 ? -66.969 11.731 -33.034 1.00 69.53 ? 88 PHE A CA 1 ATOM 432 C C . PHE A 1 61 ? -68.355 12.173 -32.537 1.00 70.50 ? 88 PHE A C 1 ATOM 433 O O . PHE A 1 61 ? -69.289 11.382 -32.491 1.00 72.86 ? 88 PHE A O 1 ATOM 434 C CB . PHE A 1 61 ? -66.846 11.856 -34.554 1.00 70.46 ? 88 PHE A CB 1 ATOM 435 C CG . PHE A 1 61 ? -65.426 11.791 -35.036 1.00 70.16 ? 88 PHE A CG 1 ATOM 436 C CD1 . PHE A 1 61 ? -64.832 10.571 -35.345 1.00 70.91 ? 88 PHE A CD1 1 ATOM 437 C CD2 . PHE A 1 61 ? -64.661 12.949 -35.145 1.00 69.46 ? 88 PHE A CD2 1 ATOM 438 C CE1 . PHE A 1 61 ? -63.505 10.509 -35.772 1.00 70.05 ? 88 PHE A CE1 1 ATOM 439 C CE2 . PHE A 1 61 ? -63.335 12.889 -35.576 1.00 68.93 ? 88 PHE A CE2 1 ATOM 440 C CZ . PHE A 1 61 ? -62.758 11.666 -35.886 1.00 68.48 ? 88 PHE A CZ 1 ATOM 441 N N . ARG A 1 62 ? -68.462 13.450 -32.167 1.00 69.44 ? 89 ARG A N 1 ATOM 442 C CA . ARG A 1 62 ? -69.673 14.016 -31.572 1.00 69.25 ? 89 ARG A CA 1 ATOM 443 C C . ARG A 1 62 ? -69.688 15.522 -31.807 1.00 69.16 ? 89 ARG A C 1 ATOM 444 O O . ARG A 1 62 ? -68.644 16.183 -31.697 1.00 68.16 ? 89 ARG A O 1 ATOM 445 C CB . ARG A 1 62 ? -69.698 13.711 -30.062 1.00 68.00 ? 89 ARG A CB 1 ATOM 446 C CG . ARG A 1 62 ? -70.738 14.433 -29.206 1.00 67.60 ? 89 ARG A CG 1 ATOM 447 C CD . ARG A 1 62 ? -72.155 13.979 -29.501 1.00 69.73 ? 89 ARG A CD 1 ATOM 448 N NE . ARG A 1 62 ? -73.147 14.891 -28.925 1.00 70.16 ? 89 ARG A NE 1 ATOM 449 C CZ . ARG A 1 62 ? -73.501 14.946 -27.643 1.00 69.32 ? 89 ARG A CZ 1 ATOM 450 N NH1 . ARG A 1 62 ? -74.413 15.830 -27.259 1.00 70.35 ? 89 ARG A NH1 1 ATOM 451 N NH2 . ARG A 1 62 ? -72.955 14.138 -26.737 1.00 68.65 ? 89 ARG A NH2 1 ATOM 452 N N . SER A 1 63 ? -70.876 16.048 -32.116 1.00 69.69 ? 90 SER A N 1 ATOM 453 C CA . SER A 1 63 ? -71.103 17.483 -32.268 1.00 68.32 ? 90 SER A CA 1 ATOM 454 C C . SER A 1 63 ? -71.870 18.025 -31.068 1.00 67.70 ? 90 SER A C 1 ATOM 455 O O . SER A 1 63 ? -72.394 17.259 -30.259 1.00 67.17 ? 90 SER A O 1 ATOM 456 C CB . SER A 1 63 ? -71.873 17.769 -33.557 1.00 70.46 ? 90 SER A CB 1 ATOM 457 O OG . SER A 1 63 ? -71.076 17.501 -34.700 1.00 70.67 ? 90 SER A OG 1 ATOM 458 N N . GLY A 1 64 ? -71.892 19.354 -30.948 1.00 66.83 ? 91 GLY A N 1 ATOM 459 C CA . GLY A 1 64 ? -72.665 20.055 -29.925 1.00 66.72 ? 91 GLY A CA 1 ATOM 460 C C . GLY A 1 64 ? -72.013 20.203 -28.566 1.00 65.38 ? 91 GLY A C 1 ATOM 461 O O . GLY A 1 64 ? -72.612 20.791 -27.667 1.00 67.41 ? 91 GLY A O 1 ATOM 462 N N . VAL A 1 65 ? -70.796 19.688 -28.405 1.00 63.33 ? 92 VAL A N 1 ATOM 463 C CA . VAL A 1 65 ? -70.096 19.717 -27.129 1.00 62.27 ? 92 VAL A CA 1 ATOM 464 C C . VAL A 1 65 ? -68.806 20.521 -27.310 1.00 61.80 ? 92 VAL A C 1 ATOM 465 O O . VAL A 1 65 ? -67.919 20.090 -28.049 1.00 62.61 ? 92 VAL A O 1 ATOM 466 C CB . VAL A 1 65 ? -69.775 18.286 -26.661 1.00 61.46 ? 92 VAL A CB 1 ATOM 467 C CG1 . VAL A 1 65 ? -69.002 18.301 -25.339 1.00 59.37 ? 92 VAL A CG1 1 ATOM 468 C CG2 . VAL A 1 65 ? -71.063 17.469 -26.555 1.00 63.33 ? 92 VAL A CG2 1 ATOM 469 N N . PRO A 1 66 ? -68.693 21.697 -26.664 1.00 62.46 ? 93 PRO A N 1 ATOM 470 C CA . PRO A 1 66 ? -67.440 22.448 -26.828 1.00 61.77 ? 93 PRO A CA 1 ATOM 471 C C . PRO A 1 66 ? -66.253 21.748 -26.163 1.00 61.30 ? 93 PRO A C 1 ATOM 472 O O . PRO A 1 66 ? -66.401 21.230 -25.067 1.00 61.83 ? 93 PRO A O 1 ATOM 473 C CB . PRO A 1 66 ? -67.726 23.775 -26.124 1.00 60.79 ? 93 PRO A CB 1 ATOM 474 C CG . PRO A 1 66 ? -69.201 23.886 -26.095 1.00 62.59 ? 93 PRO A CG 1 ATOM 475 C CD . PRO A 1 66 ? -69.705 22.488 -25.949 1.00 63.54 ? 93 PRO A CD 1 ATOM 476 N N . PRO A 1 67 ? -65.086 21.724 -26.821 1.00 62.54 ? 94 PRO A N 1 ATOM 477 C CA . PRO A 1 67 ? -63.930 21.104 -26.163 1.00 62.36 ? 94 PRO A CA 1 ATOM 478 C C . PRO A 1 67 ? -63.466 21.867 -24.921 1.00 60.92 ? 94 PRO A C 1 ATOM 479 O O . PRO A 1 67 ? -63.662 23.077 -24.823 1.00 62.68 ? 94 PRO A O 1 ATOM 480 C CB . PRO A 1 67 ? -62.850 21.112 -27.252 1.00 61.44 ? 94 PRO A CB 1 ATOM 481 C CG . PRO A 1 67 ? -63.274 22.170 -28.207 1.00 62.63 ? 94 PRO A CG 1 ATOM 482 C CD . PRO A 1 67 ? -64.770 22.139 -28.198 1.00 63.84 ? 94 PRO A CD 1 ATOM 483 N N . LYS A 1 68 ? -62.892 21.136 -23.975 1.00 58.42 ? 95 LYS A N 1 ATOM 484 C CA . LYS A 1 68 ? -62.418 21.699 -22.732 1.00 57.56 ? 95 LYS A CA 1 ATOM 485 C C . LYS A 1 68 ? -61.049 21.129 -22.424 1.00 56.71 ? 95 LYS A C 1 ATOM 486 O O . LYS A 1 68 ? -60.740 19.987 -22.777 1.00 56.59 ? 95 LYS A O 1 ATOM 487 C CB . LYS A 1 68 ? -63.395 21.389 -21.594 1.00 57.90 ? 95 LYS A CB 1 ATOM 488 C CG . LYS A 1 68 ? -64.716 22.126 -21.692 1.00 59.37 ? 95 LYS A CG 1 ATOM 489 C CD . LYS A 1 68 ? -64.561 23.593 -21.335 1.00 60.24 ? 95 LYS A CD 1 ATOM 490 C CE . LYS A 1 68 ? -65.733 24.418 -21.810 1.00 62.02 ? 95 LYS A CE 1 ATOM 491 N NZ . LYS A 1 68 ? -67.009 23.943 -21.217 1.00 64.17 ? 95 LYS A NZ 1 ATOM 492 N N . VAL A 1 69 ? -60.243 21.953 -21.762 1.00 56.49 ? 96 VAL A N 1 ATOM 493 C CA . VAL A 1 69 ? -58.854 21.666 -21.463 1.00 54.79 ? 96 VAL A CA 1 ATOM 494 C C . VAL A 1 69 ? -58.581 22.062 -20.022 1.00 55.53 ? 96 VAL A C 1 ATOM 495 O O . VAL A 1 69 ? -59.043 23.113 -19.564 1.00 55.97 ? 96 VAL A O 1 ATOM 496 C CB . VAL A 1 69 ? -57.935 22.445 -22.415 1.00 54.27 ? 96 VAL A CB 1 ATOM 497 C CG1 . VAL A 1 69 ? -56.482 22.412 -21.949 1.00 54.36 ? 96 VAL A CG1 1 ATOM 498 C CG2 . VAL A 1 69 ? -58.079 21.892 -23.826 1.00 54.21 ? 96 VAL A CG2 1 ATOM 499 N N . VAL A 1 70 ? -57.836 21.209 -19.319 1.00 55.63 ? 97 VAL A N 1 ATOM 500 C CA . VAL A 1 70 ? -57.405 21.459 -17.937 1.00 55.51 ? 97 VAL A CA 1 ATOM 501 C C . VAL A 1 70 ? -55.930 21.104 -17.850 1.00 55.35 ? 97 VAL A C 1 ATOM 502 O O . VAL A 1 70 ? -55.474 20.222 -18.581 1.00 55.85 ? 97 VAL A O 1 ATOM 503 C CB . VAL A 1 70 ? -58.206 20.623 -16.925 1.00 55.30 ? 97 VAL A CB 1 ATOM 504 C CG1 . VAL A 1 70 ? -58.035 19.124 -17.166 1.00 55.54 ? 97 VAL A CG1 1 ATOM 505 C CG2 . VAL A 1 70 ? -57.817 20.978 -15.499 1.00 54.60 ? 97 VAL A CG2 1 ATOM 506 N N . ASN A 1 71 ? -55.182 21.768 -16.974 1.00 54.70 ? 98 ASN A N 1 ATOM 507 C CA . ASN A 1 71 ? -53.745 21.554 -16.958 1.00 56.18 ? 98 ASN A CA 1 ATOM 508 C C . ASN A 1 71 ? -53.341 20.569 -15.873 1.00 56.07 ? 98 ASN A C 1 ATOM 509 O O . ASN A 1 71 ? -54.087 20.356 -14.920 1.00 56.31 ? 98 ASN A O 1 ATOM 510 C CB . ASN A 1 71 ? -52.990 22.885 -16.856 1.00 57.01 ? 98 ASN A CB 1 ATOM 511 C CG . ASN A 1 71 ? -52.794 23.337 -15.438 1.00 57.76 ? 98 ASN A CG 1 ATOM 512 O OD1 . ASN A 1 71 ? -53.735 23.739 -14.779 1.00 58.89 ? 98 ASN A OD1 1 ATOM 513 N ND2 . ASN A 1 71 ? -51.562 23.254 -14.957 1.00 58.96 ? 98 ASN A ND2 1 ATOM 514 N N . TYR A 1 72 ? -52.169 19.957 -16.060 1.00 56.17 ? 99 TYR A N 1 ATOM 515 C CA . TYR A 1 72 ? -51.538 19.116 -15.045 1.00 58.05 ? 99 TYR A CA 1 ATOM 516 C C . TYR A 1 72 ? -49.996 19.267 -15.061 1.00 57.77 ? 99 TYR A C 1 ATOM 517 O O . TYR A 1 72 ? -49.398 19.435 -16.110 1.00 57.21 ? 99 TYR A O 1 ATOM 518 C CB . TYR A 1 72 ? -51.995 17.648 -15.205 1.00 58.72 ? 99 TYR A CB 1 ATOM 519 C CG . TYR A 1 72 ? -51.454 16.937 -16.423 1.00 57.76 ? 99 TYR A CG 1 ATOM 520 C CD1 . TYR A 1 72 ? -52.103 17.010 -17.648 1.00 57.51 ? 99 TYR A CD1 1 ATOM 521 C CD2 . TYR A 1 72 ? -50.293 16.180 -16.340 1.00 59.41 ? 99 TYR A CD2 1 ATOM 522 C CE1 . TYR A 1 72 ? -51.603 16.361 -18.766 1.00 57.92 ? 99 TYR A CE1 1 ATOM 523 C CE2 . TYR A 1 72 ? -49.772 15.524 -17.449 1.00 59.79 ? 99 TYR A CE2 1 ATOM 524 C CZ . TYR A 1 72 ? -50.431 15.615 -18.661 1.00 59.33 ? 99 TYR A CZ 1 ATOM 525 O OH . TYR A 1 72 ? -49.917 14.961 -19.757 1.00 58.87 ? 99 TYR A OH 1 ATOM 526 N N . GLU A 1 73 ? -49.378 19.186 -13.885 1.00 60.19 ? 100 GLU A N 1 ATOM 527 C CA . GLU A 1 73 ? -47.953 19.523 -13.666 1.00 62.15 ? 100 GLU A CA 1 ATOM 528 C C . GLU A 1 73 ? -46.969 18.375 -13.886 1.00 61.41 ? 100 GLU A C 1 ATOM 529 O O . GLU A 1 73 ? -45.786 18.616 -14.115 1.00 61.54 ? 100 GLU A O 1 ATOM 530 C CB . GLU A 1 73 ? -47.742 19.980 -12.222 1.00 65.37 ? 100 GLU A CB 1 ATOM 531 C CG . GLU A 1 73 ? -48.621 21.134 -11.769 1.00 68.76 ? 100 GLU A CG 1 ATOM 532 C CD . GLU A 1 73 ? -48.674 21.303 -10.257 1.00 72.34 ? 100 GLU A CD 1 ATOM 533 O OE1 . GLU A 1 73 ? -49.310 22.293 -9.798 1.00 75.18 ? 100 GLU A OE1 1 ATOM 534 O OE2 . GLU A 1 73 ? -48.081 20.465 -9.535 1.00 71.03 ? 100 GLU A OE2 1 ATOM 535 N N . ALA A 1 74 ? -47.446 17.140 -13.752 1.00 60.39 ? 101 ALA A N 1 ATOM 536 C CA . ALA A 1 74 ? -46.584 15.957 -13.784 1.00 60.44 ? 101 ALA A CA 1 ATOM 537 C C . ALA A 1 74 ? -47.312 14.796 -14.409 1.00 59.27 ? 101 ALA A C 1 ATOM 538 O O . ALA A 1 74 ? -48.514 14.650 -14.239 1.00 58.58 ? 101 ALA A O 1 ATOM 539 C CB . ALA A 1 74 ? -46.151 15.580 -12.381 1.00 61.41 ? 101 ALA A CB 1 ATOM 540 N N . GLY A 1 75 ? -46.578 13.957 -15.120 1.00 59.72 ? 102 GLY A N 1 ATOM 541 C CA . GLY A 1 75 ? -47.189 12.828 -15.792 1.00 60.65 ? 102 GLY A CA 1 ATOM 542 C C . GLY A 1 75 ? -46.347 11.590 -15.706 1.00 61.73 ? 102 GLY A C 1 ATOM 543 O O . GLY A 1 75 ? -45.281 11.583 -15.081 1.00 62.00 ? 102 GLY A O 1 ATOM 544 N N . GLU A 1 76 ? -46.854 10.550 -16.352 1.00 62.17 ? 103 GLU A N 1 ATOM 545 C CA . GLU A 1 76 ? -46.283 9.221 -16.313 1.00 63.70 ? 103 GLU A CA 1 ATOM 546 C C . GLU A 1 76 ? -45.714 8.923 -17.690 1.00 64.07 ? 103 GLU A C 1 ATOM 547 O O . GLU A 1 76 ? -46.360 9.204 -18.700 1.00 63.79 ? 103 GLU A O 1 ATOM 548 C CB . GLU A 1 76 ? -47.374 8.217 -15.944 1.00 63.80 ? 103 GLU A CB 1 ATOM 549 C CG . GLU A 1 76 ? -46.937 6.767 -16.030 1.00 66.81 ? 103 GLU A CG 1 ATOM 550 C CD . GLU A 1 76 ? -47.852 5.808 -15.290 1.00 67.35 ? 103 GLU A CD 1 ATOM 551 O OE1 . GLU A 1 76 ? -47.329 4.785 -14.805 1.00 70.11 ? 103 GLU A OE1 1 ATOM 552 O OE2 . GLU A 1 76 ? -49.079 6.055 -15.189 1.00 64.98 ? 103 GLU A OE2 1 ATOM 553 N N . TRP A 1 77 ? -44.513 8.351 -17.727 1.00 63.99 ? 104 TRP A N 1 ATOM 554 C CA . TRP A 1 77 ? -43.897 7.945 -18.983 1.00 64.14 ? 104 TRP A CA 1 ATOM 555 C C . TRP A 1 77 ? -44.808 6.882 -19.595 1.00 65.24 ? 104 TRP A C 1 ATOM 556 O O . TRP A 1 77 ? -45.233 5.950 -18.899 1.00 65.55 ? 104 TRP A O 1 ATOM 557 C CB . TRP A 1 77 ? -42.514 7.311 -18.753 1.00 66.13 ? 104 TRP A CB 1 ATOM 558 C CG . TRP A 1 77 ? -41.391 8.232 -18.373 1.00 65.83 ? 104 TRP A CG 1 ATOM 559 C CD1 . TRP A 1 77 ? -41.370 9.148 -17.355 1.00 65.35 ? 104 TRP A CD1 1 ATOM 560 C CD2 . TRP A 1 77 ? -40.100 8.281 -18.978 1.00 66.58 ? 104 TRP A CD2 1 ATOM 561 N NE1 . TRP A 1 77 ? -40.153 9.783 -17.309 1.00 65.65 ? 104 TRP A NE1 1 ATOM 562 C CE2 . TRP A 1 77 ? -39.351 9.269 -18.291 1.00 66.72 ? 104 TRP A CE2 1 ATOM 563 C CE3 . TRP A 1 77 ? -39.499 7.592 -20.041 1.00 67.71 ? 104 TRP A CE3 1 ATOM 564 C CZ2 . TRP A 1 77 ? -38.029 9.581 -18.629 1.00 67.83 ? 104 TRP A CZ2 1 ATOM 565 C CZ3 . TRP A 1 77 ? -38.186 7.904 -20.383 1.00 68.89 ? 104 TRP A CZ3 1 ATOM 566 C CH2 . TRP A 1 77 ? -37.465 8.893 -19.676 1.00 69.13 ? 104 TRP A CH2 1 ATOM 567 N N . ALA A 1 78 ? -45.109 7.021 -20.882 1.00 64.90 ? 105 ALA A N 1 ATOM 568 C CA . ALA A 1 78 ? -45.963 6.061 -21.576 1.00 65.60 ? 105 ALA A CA 1 ATOM 569 C C . ALA A 1 78 ? -45.150 5.062 -22.387 1.00 67.42 ? 105 ALA A C 1 ATOM 570 O O . ALA A 1 78 ? -44.052 5.366 -22.863 1.00 68.39 ? 105 ALA A O 1 ATOM 571 C CB . ALA A 1 78 ? -46.936 6.790 -22.481 1.00 65.01 ? 105 ALA A CB 1 ATOM 572 N N . GLU A 1 79 ? -45.694 3.857 -22.505 1.00 68.85 ? 106 GLU A N 1 ATOM 573 C CA . GLU A 1 79 ? -45.297 2.923 -23.547 1.00 71.57 ? 106 GLU A CA 1 ATOM 574 C C . GLU A 1 79 ? -45.996 3.218 -24.871 1.00 69.53 ? 106 GLU A C 1 ATOM 575 O O . GLU A 1 79 ? -45.399 3.060 -25.928 1.00 72.50 ? 106 GLU A O 1 ATOM 576 C CB . GLU A 1 79 ? -45.576 1.475 -23.131 1.00 74.90 ? 106 GLU A CB 1 ATOM 577 C CG . GLU A 1 79 ? -44.445 0.872 -22.329 1.00 78.47 ? 106 GLU A CG 1 ATOM 578 C CD . GLU A 1 79 ? -43.420 0.156 -23.172 1.00 81.91 ? 106 GLU A CD 1 ATOM 579 O OE1 . GLU A 1 79 ? -43.804 -0.764 -23.927 1.00 84.35 ? 106 GLU A OE1 1 ATOM 580 O OE2 . GLU A 1 79 ? -42.224 0.493 -23.044 1.00 85.67 ? 106 GLU A OE2 1 ATOM 581 N N . ASN A 1 80 ? -47.253 3.633 -24.812 1.00 66.31 ? 107 ASN A N 1 ATOM 582 C CA . ASN A 1 80 ? -48.089 3.740 -25.990 1.00 66.63 ? 107 ASN A CA 1 ATOM 583 C C . ASN A 1 80 ? -48.751 5.105 -26.031 1.00 65.19 ? 107 ASN A C 1 ATOM 584 O O . ASN A 1 80 ? -49.492 5.494 -25.121 1.00 64.17 ? 107 ASN A O 1 ATOM 585 C CB . ASN A 1 80 ? -49.156 2.642 -26.009 1.00 67.93 ? 107 ASN A CB 1 ATOM 586 C CG . ASN A 1 80 ? -48.560 1.254 -26.011 1.00 69.84 ? 107 ASN A CG 1 ATOM 587 O OD1 . ASN A 1 80 ? -48.213 0.712 -27.059 1.00 69.67 ? 107 ASN A OD1 1 ATOM 588 N ND2 . ASN A 1 80 ? -48.435 0.667 -24.825 1.00 71.44 ? 107 ASN A ND2 1 ATOM 589 N N . CYS A 1 81 ? -48.445 5.830 -27.094 1.00 65.35 ? 108 CYS A N 1 ATOM 590 C CA . CYS A 1 81 ? -49.103 7.068 -27.417 1.00 64.59 ? 108 CYS A CA 1 ATOM 591 C C . CYS A 1 81 ? -49.626 6.947 -28.842 1.00 64.88 ? 108 CYS A C 1 ATOM 592 O O . CYS A 1 81 ? -49.243 6.034 -29.580 1.00 65.30 ? 108 CYS A O 1 ATOM 593 C CB . CYS A 1 81 ? -48.107 8.214 -27.311 1.00 65.09 ? 108 CYS A CB 1 ATOM 594 S SG . CYS A 1 81 ? -47.343 8.421 -25.684 1.00 65.48 ? 108 CYS A SG 1 ATOM 595 N N . TYR A 1 82 ? -50.510 7.863 -29.217 1.00 64.15 ? 109 TYR A N 1 ATOM 596 C CA . TYR A 1 82 ? -51.143 7.841 -30.532 1.00 65.32 ? 109 TYR A CA 1 ATOM 597 C C . TYR A 1 82 ? -51.098 9.230 -31.170 1.00 65.77 ? 109 TYR A C 1 ATOM 598 O O . TYR A 1 82 ? -51.138 10.240 -30.471 1.00 64.15 ? 109 TYR A O 1 ATOM 599 C CB . TYR A 1 82 ? -52.579 7.321 -30.413 1.00 65.07 ? 109 TYR A CB 1 ATOM 600 C CG . TYR A 1 82 ? -52.643 6.063 -29.592 1.00 65.08 ? 109 TYR A CG 1 ATOM 601 C CD1 . TYR A 1 82 ? -52.557 4.817 -30.190 1.00 65.94 ? 109 TYR A CD1 1 ATOM 602 C CD2 . TYR A 1 82 ? -52.729 6.122 -28.208 1.00 64.53 ? 109 TYR A CD2 1 ATOM 603 C CE1 . TYR A 1 82 ? -52.576 3.662 -29.434 1.00 67.02 ? 109 TYR A CE1 1 ATOM 604 C CE2 . TYR A 1 82 ? -52.745 4.971 -27.442 1.00 65.59 ? 109 TYR A CE2 1 ATOM 605 C CZ . TYR A 1 82 ? -52.666 3.747 -28.062 1.00 66.57 ? 109 TYR A CZ 1 ATOM 606 O OH . TYR A 1 82 ? -52.696 2.611 -27.306 1.00 68.91 ? 109 TYR A OH 1 ATOM 607 N N . ASN A 1 83 ? -51.004 9.246 -32.500 1.00 68.13 ? 110 ASN A N 1 ATOM 608 C CA . ASN A 1 83 ? -50.889 10.464 -33.298 1.00 67.87 ? 110 ASN A CA 1 ATOM 609 C C . ASN A 1 83 ? -51.718 10.274 -34.570 1.00 68.34 ? 110 ASN A C 1 ATOM 610 O O . ASN A 1 83 ? -51.335 9.508 -35.438 1.00 70.69 ? 110 ASN A O 1 ATOM 611 C CB . ASN A 1 83 ? -49.409 10.705 -33.617 1.00 68.45 ? 110 ASN A CB 1 ATOM 612 C CG . ASN A 1 83 ? -49.152 12.059 -34.256 1.00 68.06 ? 110 ASN A CG 1 ATOM 613 O OD1 . ASN A 1 83 ? -49.607 12.328 -35.365 1.00 67.93 ? 110 ASN A OD1 1 ATOM 614 N ND2 . ASN A 1 83 ? -48.379 12.903 -33.571 1.00 67.15 ? 110 ASN A ND2 1 ATOM 615 N N . LEU A 1 84 ? -52.846 10.972 -34.679 1.00 68.71 ? 111 LEU A N 1 ATOM 616 C CA . LEU A 1 84 ? -53.829 10.706 -35.739 1.00 70.50 ? 111 LEU A CA 1 ATOM 617 C C . LEU A 1 84 ? -53.817 11.755 -36.847 1.00 71.89 ? 111 LEU A C 1 ATOM 618 O O . LEU A 1 84 ? -53.847 12.958 -36.563 1.00 73.06 ? 111 LEU A O 1 ATOM 619 C CB . LEU A 1 84 ? -55.234 10.618 -35.141 1.00 69.90 ? 111 LEU A CB 1 ATOM 620 C CG . LEU A 1 84 ? -55.407 9.704 -33.927 1.00 69.62 ? 111 LEU A CG 1 ATOM 621 C CD1 . LEU A 1 84 ? -56.878 9.622 -33.562 1.00 70.07 ? 111 LEU A CD1 1 ATOM 622 C CD2 . LEU A 1 84 ? -54.846 8.315 -34.183 1.00 71.10 ? 111 LEU A CD2 1 ATOM 623 N N . GLU A 1 85 ? -53.749 11.284 -38.098 1.00 73.03 ? 112 GLU A N 1 ATOM 624 C CA . GLU A 1 85 ? -53.958 12.108 -39.299 1.00 73.93 ? 112 GLU A CA 1 ATOM 625 C C . GLU A 1 85 ? -55.110 11.472 -40.068 1.00 73.49 ? 112 GLU A C 1 ATOM 626 O O . GLU A 1 85 ? -54.900 10.656 -40.953 1.00 76.10 ? 112 GLU A O 1 ATOM 627 C CB . GLU A 1 85 ? -52.694 12.150 -40.169 1.00 75.76 ? 112 GLU A CB 1 ATOM 628 C CG . GLU A 1 85 ? -51.490 12.839 -39.533 1.00 77.14 ? 112 GLU A CG 1 ATOM 629 C CD . GLU A 1 85 ? -51.519 14.364 -39.602 1.00 79.08 ? 112 GLU A CD 1 ATOM 630 O OE1 . GLU A 1 85 ? -52.490 14.957 -40.136 1.00 80.21 ? 112 GLU A OE1 1 ATOM 631 O OE2 . GLU A 1 85 ? -50.544 14.981 -39.112 1.00 80.27 ? 112 GLU A OE2 1 ATOM 632 N N . ILE A 1 86 ? -56.332 11.834 -39.703 1.00 72.26 ? 113 ILE A N 1 ATOM 633 C CA . ILE A 1 86 ? -57.534 11.230 -40.266 1.00 73.63 ? 113 ILE A CA 1 ATOM 634 C C . ILE A 1 86 ? -58.263 12.254 -41.129 1.00 75.87 ? 113 ILE A C 1 ATOM 635 O O . ILE A 1 86 ? -58.486 13.387 -40.702 1.00 76.19 ? 113 ILE A O 1 ATOM 636 C CB . ILE A 1 86 ? -58.475 10.711 -39.152 1.00 72.33 ? 113 ILE A CB 1 ATOM 637 C CG1 . ILE A 1 86 ? -57.744 9.720 -38.241 1.00 71.85 ? 113 ILE A CG1 1 ATOM 638 C CG2 . ILE A 1 86 ? -59.733 10.076 -39.728 1.00 73.31 ? 113 ILE A CG2 1 ATOM 639 C CD1 . ILE A 1 86 ? -57.136 8.519 -38.932 1.00 73.25 ? 113 ILE A CD1 1 ATOM 640 N N . LYS A 1 87 ? -58.623 11.841 -42.342 1.00 79.11 ? 114 LYS A N 1 ATOM 641 C CA . LYS A 1 87 ? -59.402 12.654 -43.264 1.00 81.73 ? 114 LYS A CA 1 ATOM 642 C C . LYS A 1 87 ? -60.685 11.936 -43.639 1.00 83.82 ? 114 LYS A C 1 ATOM 643 O O . LYS A 1 87 ? -60.823 10.735 -43.437 1.00 83.98 ? 114 LYS A O 1 ATOM 644 C CB . LYS A 1 87 ? -58.600 12.923 -44.533 1.00 84.45 ? 114 LYS A CB 1 ATOM 645 C CG . LYS A 1 87 ? -57.359 13.771 -44.333 1.00 85.78 ? 114 LYS A CG 1 ATOM 646 C CD . LYS A 1 87 ? -56.743 14.134 -45.676 1.00 89.57 ? 114 LYS A CD 1 ATOM 647 C CE . LYS A 1 87 ? -55.573 15.095 -45.531 1.00 91.46 ? 114 LYS A CE 1 ATOM 648 N NZ . LYS A 1 87 ? -54.479 14.516 -44.696 1.00 92.58 ? 114 LYS A NZ 1 ATOM 649 N N . LYS A 1 88 ? -61.633 12.687 -44.180 1.00 86.83 ? 115 LYS A N 1 ATOM 650 C CA . LYS A 1 88 ? -62.801 12.092 -44.820 1.00 91.75 ? 115 LYS A CA 1 ATOM 651 C C . LYS A 1 88 ? -62.370 11.584 -46.204 1.00 95.17 ? 115 LYS A C 1 ATOM 652 O O . LYS A 1 88 ? -61.316 11.995 -46.710 1.00 95.99 ? 115 LYS A O 1 ATOM 653 C CB . LYS A 1 88 ? -63.947 13.111 -44.936 1.00 93.30 ? 115 LYS A CB 1 ATOM 654 C CG . LYS A 1 88 ? -64.681 13.383 -43.622 1.00 92.99 ? 115 LYS A CG 1 ATOM 655 C CD . LYS A 1 88 ? -66.121 13.859 -43.827 1.00 95.10 ? 115 LYS A CD 1 ATOM 656 C CE . LYS A 1 88 ? -66.298 15.357 -43.649 1.00 95.38 ? 115 LYS A CE 1 ATOM 657 N NZ . LYS A 1 88 ? -66.510 15.718 -42.223 1.00 94.34 ? 115 LYS A NZ 1 ATOM 658 N N . PRO A 1 89 ? -63.170 10.691 -46.830 1.00 97.89 ? 116 PRO A N 1 ATOM 659 C CA . PRO A 1 89 ? -62.835 10.269 -48.203 1.00 99.01 ? 116 PRO A CA 1 ATOM 660 C C . PRO A 1 89 ? -62.840 11.407 -49.249 1.00 99.12 ? 116 PRO A C 1 ATOM 661 O O . PRO A 1 89 ? -62.237 11.249 -50.308 1.00 100.11 ? 116 PRO A O 1 ATOM 662 C CB . PRO A 1 89 ? -63.893 9.200 -48.523 1.00 100.90 ? 116 PRO A CB 1 ATOM 663 C CG . PRO A 1 89 ? -64.987 9.418 -47.538 1.00 101.38 ? 116 PRO A CG 1 ATOM 664 C CD . PRO A 1 89 ? -64.331 9.952 -46.301 1.00 99.22 ? 116 PRO A CD 1 ATOM 665 N N . ASP A 1 90 ? -63.495 12.533 -48.947 1.00 98.49 ? 117 ASP A N 1 ATOM 666 C CA . ASP A 1 90 ? -63.381 13.751 -49.764 1.00 98.50 ? 117 ASP A CA 1 ATOM 667 C C . ASP A 1 90 ? -62.156 14.644 -49.445 1.00 95.94 ? 117 ASP A C 1 ATOM 668 O O . ASP A 1 90 ? -62.070 15.765 -49.949 1.00 95.92 ? 117 ASP A O 1 ATOM 669 C CB . ASP A 1 90 ? -64.701 14.562 -49.723 1.00 100.54 ? 117 ASP A CB 1 ATOM 670 C CG . ASP A 1 90 ? -64.951 15.287 -48.389 1.00 98.99 ? 117 ASP A CG 1 ATOM 671 O OD1 . ASP A 1 90 ? -64.069 15.331 -47.504 1.00 96.18 ? 117 ASP A OD1 1 ATOM 672 O OD2 . ASP A 1 90 ? -66.066 15.831 -48.236 1.00 100.07 ? 117 ASP A OD2 1 ATOM 673 N N . GLY A 1 91 ? -61.236 14.173 -48.599 1.00 93.47 ? 118 GLY A N 1 ATOM 674 C CA . GLY A 1 91 ? -59.980 14.885 -48.326 1.00 91.93 ? 118 GLY A CA 1 ATOM 675 C C . GLY A 1 91 ? -59.980 15.984 -47.265 1.00 90.16 ? 118 GLY A C 1 ATOM 676 O O . GLY A 1 91 ? -58.921 16.559 -46.980 1.00 88.92 ? 118 GLY A O 1 ATOM 677 N N . SER A 1 92 ? -61.142 16.288 -46.677 1.00 89.28 ? 119 SER A N 1 ATOM 678 C CA . SER A 1 92 ? -61.225 17.294 -45.615 1.00 86.79 ? 119 SER A CA 1 ATOM 679 C C . SER A 1 92 ? -60.759 16.695 -44.297 1.00 85.03 ? 119 SER A C 1 ATOM 680 O O . SER A 1 92 ? -60.965 15.509 -44.040 1.00 81.98 ? 119 SER A O 1 ATOM 681 C CB . SER A 1 92 ? -62.646 17.821 -45.470 1.00 86.79 ? 119 SER A CB 1 ATOM 682 O OG . SER A 1 92 ? -63.555 16.753 -45.361 1.00 87.15 ? 119 SER A OG 1 ATOM 683 N N . GLU A 1 93 ? -60.140 17.535 -43.466 1.00 85.22 ? 120 GLU A N 1 ATOM 684 C CA . GLU A 1 93 ? -59.572 17.100 -42.184 1.00 82.59 ? 120 GLU A CA 1 ATOM 685 C C . GLU A 1 93 ? -60.681 16.761 -41.182 1.00 81.18 ? 120 GLU A C 1 ATOM 686 O O . GLU A 1 93 ? -61.704 17.451 -41.118 1.00 82.11 ? 120 GLU A O 1 ATOM 687 C CB . GLU A 1 93 ? -58.654 18.183 -41.610 1.00 81.50 ? 120 GLU A CB 1 ATOM 688 C CG . GLU A 1 93 ? -57.416 18.483 -42.456 1.00 82.61 ? 120 GLU A CG 1 ATOM 689 C CD . GLU A 1 93 ? -56.317 17.435 -42.356 1.00 83.67 ? 120 GLU A CD 1 ATOM 690 O OE1 . GLU A 1 93 ? -56.441 16.476 -41.565 1.00 84.52 ? 120 GLU A OE1 1 ATOM 691 O OE2 . GLU A 1 93 ? -55.308 17.569 -43.080 1.00 85.40 ? 120 GLU A OE2 1 ATOM 692 N N . CYS A 1 94 ? -60.476 15.690 -40.421 1.00 78.60 ? 121 CYS A N 1 ATOM 693 C CA . CYS A 1 94 ? -61.430 15.264 -39.384 1.00 77.04 ? 121 CYS A CA 1 ATOM 694 C C . CYS A 1 94 ? -61.151 15.866 -38.013 1.00 74.04 ? 121 CYS A C 1 ATOM 695 O O . CYS A 1 94 ? -62.074 16.053 -37.222 1.00 74.95 ? 121 CYS A O 1 ATOM 696 C CB . CYS A 1 94 ? -61.426 13.745 -39.256 1.00 77.22 ? 121 CYS A CB 1 ATOM 697 S SG . CYS A 1 94 ? -62.229 12.958 -40.648 1.00 78.60 ? 121 CYS A SG 1 ATOM 698 N N . LEU A 1 95 ? -59.877 16.131 -37.726 1.00 70.32 ? 122 LEU A N 1 ATOM 699 C CA . LEU A 1 95 ? -59.450 16.663 -36.442 1.00 67.31 ? 122 LEU A CA 1 ATOM 700 C C . LEU A 1 95 ? -58.932 18.092 -36.632 1.00 65.49 ? 122 LEU A C 1 ATOM 701 O O . LEU A 1 95 ? -58.422 18.426 -37.714 1.00 65.44 ? 122 LEU A O 1 ATOM 702 C CB . LEU A 1 95 ? -58.365 15.768 -35.858 1.00 66.54 ? 122 LEU A CB 1 ATOM 703 C CG . LEU A 1 95 ? -58.717 14.277 -35.796 1.00 68.15 ? 122 LEU A CG 1 ATOM 704 C CD1 . LEU A 1 95 ? -57.458 13.443 -35.557 1.00 69.24 ? 122 LEU A CD1 1 ATOM 705 C CD2 . LEU A 1 95 ? -59.778 13.999 -34.742 1.00 67.34 ? 122 LEU A CD2 1 ATOM 706 N N . PRO A 1 96 ? -59.071 18.945 -35.600 1.00 62.87 ? 123 PRO A N 1 ATOM 707 C CA . PRO A 1 96 ? -58.587 20.322 -35.696 1.00 62.68 ? 123 PRO A CA 1 ATOM 708 C C . PRO A 1 96 ? -57.100 20.427 -35.420 1.00 61.64 ? 123 PRO A C 1 ATOM 709 O O . PRO A 1 96 ? -56.538 19.581 -34.740 1.00 61.25 ? 123 PRO A O 1 ATOM 710 C CB . PRO A 1 96 ? -59.373 21.042 -34.608 1.00 61.83 ? 123 PRO A CB 1 ATOM 711 C CG . PRO A 1 96 ? -59.602 20.010 -33.576 1.00 61.85 ? 123 PRO A CG 1 ATOM 712 C CD . PRO A 1 96 ? -59.674 18.679 -34.283 1.00 62.81 ? 123 PRO A CD 1 ATOM 713 N N . ALA A 1 97 ? -56.470 21.462 -35.961 1.00 63.69 ? 124 ALA A N 1 ATOM 714 C CA . ALA A 1 97 ? -55.058 21.745 -35.687 1.00 62.86 ? 124 ALA A CA 1 ATOM 715 C C . ALA A 1 97 ? -54.877 21.973 -34.201 1.00 62.62 ? 124 ALA A C 1 ATOM 716 O O . ALA A 1 97 ? -55.764 22.543 -33.545 1.00 63.51 ? 124 ALA A O 1 ATOM 717 C CB . ALA A 1 97 ? -54.594 22.977 -36.453 1.00 62.12 ? 124 ALA A CB 1 ATOM 718 N N . ALA A 1 98 ? -53.742 21.529 -33.668 1.00 61.74 ? 125 ALA A N 1 ATOM 719 C CA . ALA A 1 98 ? -53.437 21.761 -32.258 1.00 60.99 ? 125 ALA A CA 1 ATOM 720 C C . ALA A 1 98 ? -53.534 23.259 -31.954 1.00 60.05 ? 125 ALA A C 1 ATOM 721 O O . ALA A 1 98 ? -52.910 24.063 -32.630 1.00 60.73 ? 125 ALA A O 1 ATOM 722 C CB . ALA A 1 98 ? -52.055 21.237 -31.905 1.00 60.61 ? 125 ALA A CB 1 ATOM 723 N N . PRO A 1 99 ? -54.346 23.641 -30.961 1.00 60.32 ? 126 PRO A N 1 ATOM 724 C CA . PRO A 1 99 ? -54.349 25.044 -30.535 1.00 60.94 ? 126 PRO A CA 1 ATOM 725 C C . PRO A 1 99 ? -52.960 25.521 -30.129 1.00 61.93 ? 126 PRO A C 1 ATOM 726 O O . PRO A 1 99 ? -52.083 24.713 -29.836 1.00 63.28 ? 126 PRO A O 1 ATOM 727 C CB . PRO A 1 99 ? -55.280 25.045 -29.319 1.00 60.22 ? 126 PRO A CB 1 ATOM 728 C CG . PRO A 1 99 ? -56.175 23.866 -29.514 1.00 60.93 ? 126 PRO A CG 1 ATOM 729 C CD . PRO A 1 99 ? -55.392 22.847 -30.286 1.00 60.71 ? 126 PRO A CD 1 ATOM 730 N N . ASP A 1 100 ? -52.769 26.829 -30.113 1.00 63.72 ? 127 ASP A N 1 ATOM 731 C CA . ASP A 1 100 ? -51.491 27.408 -29.748 1.00 64.75 ? 127 ASP A CA 1 ATOM 732 C C . ASP A 1 100 ? -51.159 27.002 -28.313 1.00 64.07 ? 127 ASP A C 1 ATOM 733 O O . ASP A 1 100 ? -51.972 27.193 -27.409 1.00 64.04 ? 127 ASP A O 1 ATOM 734 C CB . ASP A 1 100 ? -51.574 28.926 -29.895 1.00 68.42 ? 127 ASP A CB 1 ATOM 735 C CG . ASP A 1 100 ? -50.260 29.639 -29.626 1.00 72.06 ? 127 ASP A CG 1 ATOM 736 O OD1 . ASP A 1 100 ? -49.190 28.992 -29.511 1.00 73.73 ? 127 ASP A OD1 1 ATOM 737 O OD2 . ASP A 1 100 ? -50.314 30.889 -29.545 1.00 76.56 ? 127 ASP A OD2 1 ATOM 738 N N . GLY A 1 101 ? -49.983 26.409 -28.119 1.00 61.86 ? 128 GLY A N 1 ATOM 739 C CA . GLY A 1 101 ? -49.519 26.034 -26.791 1.00 60.69 ? 128 GLY A CA 1 ATOM 740 C C . GLY A 1 101 ? -49.769 24.586 -26.404 1.00 60.98 ? 128 GLY A C 1 ATOM 741 O O . GLY A 1 101 ? -49.363 24.168 -25.320 1.00 59.05 ? 128 GLY A O 1 ATOM 742 N N . ILE A 1 102 ? -50.434 23.817 -27.270 1.00 61.70 ? 129 ILE A N 1 ATOM 743 C CA . ILE A 1 102 ? -50.657 22.399 -27.012 1.00 61.74 ? 129 ILE A CA 1 ATOM 744 C C . ILE A 1 102 ? -49.666 21.598 -27.845 1.00 62.49 ? 129 ILE A C 1 ATOM 745 O O . ILE A 1 102 ? -49.702 21.630 -29.076 1.00 62.74 ? 129 ILE A O 1 ATOM 746 C CB . ILE A 1 102 ? -52.114 21.982 -27.279 1.00 62.17 ? 129 ILE A CB 1 ATOM 747 C CG1 . ILE A 1 102 ? -53.019 22.642 -26.231 1.00 62.46 ? 129 ILE A CG1 1 ATOM 748 C CG2 . ILE A 1 102 ? -52.262 20.459 -27.215 1.00 62.00 ? 129 ILE A CG2 1 ATOM 749 C CD1 . ILE A 1 102 ? -54.493 22.610 -26.562 1.00 64.17 ? 129 ILE A CD1 1 ATOM 750 N N . ARG A 1 103 ? -48.771 20.905 -27.144 1.00 62.56 ? 130 ARG A N 1 ATOM 751 C CA . ARG A 1 103 ? -47.720 20.108 -27.751 1.00 62.92 ? 130 ARG A CA 1 ATOM 752 C C . ARG A 1 103 ? -47.964 18.662 -27.395 1.00 62.60 ? 130 ARG A C 1 ATOM 753 O O . ARG A 1 103 ? -48.747 18.364 -26.506 1.00 60.68 ? 130 ARG A O 1 ATOM 754 C CB . ARG A 1 103 ? -46.361 20.540 -27.217 1.00 64.01 ? 130 ARG A CB 1 ATOM 755 C CG . ARG A 1 103 ? -45.875 21.874 -27.753 1.00 65.66 ? 130 ARG A CG 1 ATOM 756 C CD . ARG A 1 103 ? -44.679 22.385 -26.961 1.00 67.46 ? 130 ARG A CD 1 ATOM 757 N NE . ARG A 1 103 ? -45.052 22.540 -25.559 1.00 68.43 ? 130 ARG A NE 1 ATOM 758 C CZ . ARG A 1 103 ? -45.742 23.560 -25.045 1.00 68.06 ? 130 ARG A CZ 1 ATOM 759 N NH1 . ARG A 1 103 ? -46.141 24.590 -25.796 1.00 68.87 ? 130 ARG A NH1 1 ATOM 760 N NH2 . ARG A 1 103 ? -46.032 23.547 -23.748 1.00 67.89 ? 130 ARG A NH2 1 ATOM 761 N N . GLY A 1 104 ? -47.272 17.761 -28.081 1.00 64.13 ? 131 GLY A N 1 ATOM 762 C CA . GLY A 1 104 ? -47.441 16.332 -27.844 1.00 65.13 ? 131 GLY A CA 1 ATOM 763 C C . GLY A 1 104 ? -46.946 15.878 -26.484 1.00 64.14 ? 131 GLY A C 1 ATOM 764 O O . GLY A 1 104 ? -46.087 16.525 -25.885 1.00 65.19 ? 131 GLY A O 1 ATOM 765 N N . PHE A 1 105 ? -47.491 14.756 -26.020 1.00 63.12 ? 132 PHE A N 1 ATOM 766 C CA . PHE A 1 105 ? -47.125 14.131 -24.746 1.00 62.41 ? 132 PHE A CA 1 ATOM 767 C C . PHE A 1 105 ? -45.617 13.920 -24.686 1.00 62.31 ? 132 PHE A C 1 ATOM 768 O O . PHE A 1 105 ? -45.032 13.462 -25.660 1.00 63.67 ? 132 PHE A O 1 ATOM 769 C CB . PHE A 1 105 ? -47.826 12.778 -24.613 1.00 63.03 ? 132 PHE A CB 1 ATOM 770 C CG . PHE A 1 105 ? -47.825 12.216 -23.221 1.00 63.57 ? 132 PHE A CG 1 ATOM 771 C CD1 . PHE A 1 105 ? -48.734 12.673 -22.282 1.00 62.10 ? 132 PHE A CD1 1 ATOM 772 C CD2 . PHE A 1 105 ? -46.942 11.194 -22.857 1.00 65.16 ? 132 PHE A CD2 1 ATOM 773 C CE1 . PHE A 1 105 ? -48.754 12.147 -21.001 1.00 63.01 ? 132 PHE A CE1 1 ATOM 774 C CE2 . PHE A 1 105 ? -46.958 10.665 -21.574 1.00 64.38 ? 132 PHE A CE2 1 ATOM 775 C CZ . PHE A 1 105 ? -47.870 11.143 -20.649 1.00 63.97 ? 132 PHE A CZ 1 ATOM 776 N N . PRO A 1 106 ? -44.982 14.245 -23.554 1.00 62.30 ? 133 PRO A N 1 ATOM 777 C CA . PRO A 1 106 ? -43.516 14.335 -23.583 1.00 63.94 ? 133 PRO A CA 1 ATOM 778 C C . PRO A 1 106 ? -42.738 13.019 -23.572 1.00 64.21 ? 133 PRO A C 1 ATOM 779 O O . PRO A 1 106 ? -41.619 12.988 -24.072 1.00 65.44 ? 133 PRO A O 1 ATOM 780 C CB . PRO A 1 106 ? -43.180 15.155 -22.325 1.00 64.24 ? 133 PRO A CB 1 ATOM 781 C CG . PRO A 1 106 ? -44.486 15.477 -21.659 1.00 63.39 ? 133 PRO A CG 1 ATOM 782 C CD . PRO A 1 106 ? -45.507 14.533 -22.210 1.00 62.64 ? 133 PRO A CD 1 ATOM 783 N N . ARG A 1 107 ? -43.305 11.962 -22.999 1.00 64.13 ? 134 ARG A N 1 ATOM 784 C CA . ARG A 1 107 ? -42.605 10.677 -22.881 1.00 65.98 ? 134 ARG A CA 1 ATOM 785 C C . ARG A 1 107 ? -43.428 9.507 -23.446 1.00 65.87 ? 134 ARG A C 1 ATOM 786 O O . ARG A 1 107 ? -44.348 9.012 -22.790 1.00 65.47 ? 134 ARG A O 1 ATOM 787 C CB . ARG A 1 107 ? -42.240 10.429 -21.416 1.00 66.42 ? 134 ARG A CB 1 ATOM 788 C CG . ARG A 1 107 ? -41.252 11.433 -20.835 1.00 66.43 ? 134 ARG A CG 1 ATOM 789 C CD . ARG A 1 107 ? -39.850 11.181 -21.353 1.00 67.79 ? 134 ARG A CD 1 ATOM 790 N NE . ARG A 1 107 ? -38.883 12.163 -20.866 1.00 68.00 ? 134 ARG A NE 1 ATOM 791 C CZ . ARG A 1 107 ? -38.566 13.306 -21.469 1.00 67.54 ? 134 ARG A CZ 1 ATOM 792 N NH1 . ARG A 1 107 ? -37.657 14.089 -20.913 1.00 68.53 ? 134 ARG A NH1 1 ATOM 793 N NH2 . ARG A 1 107 ? -39.138 13.687 -22.611 1.00 67.10 ? 134 ARG A NH2 1 ATOM 794 N N . CYS A 1 108 ? -43.091 9.102 -24.672 1.00 66.08 ? 135 CYS A N 1 ATOM 795 C CA . CYS A 1 108 ? -43.709 7.980 -25.370 1.00 67.31 ? 135 CYS A CA 1 ATOM 796 C C . CYS A 1 108 ? -42.643 7.014 -25.891 1.00 69.43 ? 135 CYS A C 1 ATOM 797 O O . CYS A 1 108 ? -41.793 7.414 -26.689 1.00 69.06 ? 135 CYS A O 1 ATOM 798 C CB . CYS A 1 108 ? -44.494 8.511 -26.562 1.00 66.80 ? 135 CYS A CB 1 ATOM 799 S SG . CYS A 1 108 ? -45.794 9.668 -26.125 1.00 65.56 ? 135 CYS A SG 1 ATOM 800 N N . ARG A 1 109 ? -42.682 5.755 -25.453 1.00 71.31 ? 136 ARG A N 1 ATOM 801 C CA . ARG A 1 109 ? -41.762 4.727 -25.995 1.00 74.86 ? 136 ARG A CA 1 ATOM 802 C C . ARG A 1 109 ? -42.125 4.349 -27.435 1.00 73.47 ? 136 ARG A C 1 ATOM 803 O O . ARG A 1 109 ? -41.240 4.122 -28.255 1.00 73.40 ? 136 ARG A O 1 ATOM 804 C CB . ARG A 1 109 ? -41.730 3.475 -25.106 1.00 76.55 ? 136 ARG A CB 1 ATOM 805 C CG . ARG A 1 109 ? -40.799 2.361 -25.577 1.00 80.77 ? 136 ARG A CG 1 ATOM 806 C CD . ARG A 1 109 ? -39.316 2.706 -25.475 1.00 83.91 ? 136 ARG A CD 1 ATOM 807 N NE . ARG A 1 109 ? -38.503 1.770 -26.264 1.00 87.42 ? 136 ARG A NE 1 ATOM 808 C CZ . ARG A 1 109 ? -38.257 1.863 -27.575 1.00 88.19 ? 136 ARG A CZ 1 ATOM 809 N NH1 . ARG A 1 109 ? -37.512 0.927 -28.165 1.00 90.87 ? 136 ARG A NH1 1 ATOM 810 N NH2 . ARG A 1 109 ? -38.737 2.873 -28.311 1.00 86.82 ? 136 ARG A NH2 1 ATOM 811 N N . TYR A 1 110 ? -43.426 4.274 -27.716 1.00 71.99 ? 137 TYR A N 1 ATOM 812 C CA . TYR A 1 110 ? -43.944 4.018 -29.059 1.00 71.43 ? 137 TYR A CA 1 ATOM 813 C C . TYR A 1 110 ? -45.023 5.037 -29.395 1.00 68.85 ? 137 TYR A C 1 ATOM 814 O O . TYR A 1 110 ? -45.962 5.219 -28.623 1.00 69.27 ? 137 TYR A O 1 ATOM 815 C CB . TYR A 1 110 ? -44.534 2.613 -29.144 1.00 72.27 ? 137 TYR A CB 1 ATOM 816 C CG . TYR A 1 110 ? -43.551 1.542 -28.768 1.00 74.66 ? 137 TYR A CG 1 ATOM 817 C CD1 . TYR A 1 110 ? -42.429 1.310 -29.549 1.00 75.99 ? 137 TYR A CD1 1 ATOM 818 C CD2 . TYR A 1 110 ? -43.730 0.766 -27.622 1.00 75.82 ? 137 TYR A CD2 1 ATOM 819 C CE1 . TYR A 1 110 ? -41.512 0.330 -29.209 1.00 78.59 ? 137 TYR A CE1 1 ATOM 820 C CE2 . TYR A 1 110 ? -42.814 -0.220 -27.275 1.00 78.02 ? 137 TYR A CE2 1 ATOM 821 C CZ . TYR A 1 110 ? -41.708 -0.431 -28.074 1.00 78.98 ? 137 TYR A CZ 1 ATOM 822 O OH . TYR A 1 110 ? -40.797 -1.398 -27.747 1.00 81.30 ? 137 TYR A OH 1 ATOM 823 N N . VAL A 1 111 ? -44.885 5.705 -30.534 1.00 67.21 ? 138 VAL A N 1 ATOM 824 C CA . VAL A 1 111 ? -45.910 6.617 -31.020 1.00 66.05 ? 138 VAL A CA 1 ATOM 825 C C . VAL A 1 111 ? -46.587 5.907 -32.170 1.00 68.44 ? 138 VAL A C 1 ATOM 826 O O . VAL A 1 111 ? -45.960 5.660 -33.203 1.00 70.82 ? 138 VAL A O 1 ATOM 827 C CB . VAL A 1 111 ? -45.322 7.974 -31.481 1.00 64.22 ? 138 VAL A CB 1 ATOM 828 C CG1 . VAL A 1 111 ? -46.401 8.854 -32.098 1.00 62.28 ? 138 VAL A CG1 1 ATOM 829 C CG2 . VAL A 1 111 ? -44.657 8.686 -30.309 1.00 62.84 ? 138 VAL A CG2 1 ATOM 830 N N . HIS A 1 112 ? -47.856 5.562 -31.981 1.00 69.66 ? 139 HIS A N 1 ATOM 831 C CA . HIS A 1 112 ? -48.639 4.905 -33.022 1.00 72.33 ? 139 HIS A CA 1 ATOM 832 C C . HIS A 1 112 ? -49.247 5.970 -33.923 1.00 73.42 ? 139 HIS A C 1 ATOM 833 O O . HIS A 1 112 ? -50.268 6.577 -33.587 1.00 71.18 ? 139 HIS A O 1 ATOM 834 C CB . HIS A 1 112 ? -49.712 4.016 -32.406 1.00 72.44 ? 139 HIS A CB 1 ATOM 835 C CG . HIS A 1 112 ? -49.156 2.934 -31.539 1.00 73.46 ? 139 HIS A CG 1 ATOM 836 N ND1 . HIS A 1 112 ? -48.853 3.131 -30.212 1.00 74.04 ? 139 HIS A ND1 1 ATOM 837 C CD2 . HIS A 1 112 ? -48.822 1.654 -31.813 1.00 74.32 ? 139 HIS A CD2 1 ATOM 838 C CE1 . HIS A 1 112 ? -48.375 2.011 -29.703 1.00 74.03 ? 139 HIS A CE1 1 ATOM 839 N NE2 . HIS A 1 112 ? -48.341 1.101 -30.655 1.00 74.55 ? 139 HIS A NE2 1 ATOM 840 N N . LYS A 1 113 ? -48.589 6.208 -35.057 1.00 76.30 ? 140 LYS A N 1 ATOM 841 C CA . LYS A 1 113 ? -48.997 7.254 -35.971 1.00 78.37 ? 140 LYS A CA 1 ATOM 842 C C . LYS A 1 113 ? -49.935 6.671 -37.025 1.00 78.62 ? 140 LYS A C 1 ATOM 843 O O . LYS A 1 113 ? -49.495 6.002 -37.964 1.00 80.72 ? 140 LYS A O 1 ATOM 844 C CB . LYS A 1 113 ? -47.780 7.936 -36.605 1.00 82.74 ? 140 LYS A CB 1 ATOM 845 C CG . LYS A 1 113 ? -48.129 9.273 -37.235 1.00 86.95 ? 140 LYS A CG 1 ATOM 846 C CD . LYS A 1 113 ? -46.948 9.945 -37.910 1.00 91.52 ? 140 LYS A CD 1 ATOM 847 C CE . LYS A 1 113 ? -47.426 11.179 -38.664 1.00 94.29 ? 140 LYS A CE 1 ATOM 848 N NZ . LYS A 1 113 ? -46.311 11.972 -39.258 1.00 97.05 ? 140 LYS A NZ 1 ATOM 849 N N . VAL A 1 114 ? -51.232 6.928 -36.858 1.00 76.72 ? 141 VAL A N 1 ATOM 850 C CA . VAL A 1 114 ? -52.258 6.414 -37.759 1.00 76.98 ? 141 VAL A CA 1 ATOM 851 C C . VAL A 1 114 ? -52.667 7.477 -38.784 1.00 78.04 ? 141 VAL A C 1 ATOM 852 O O . VAL A 1 114 ? -53.212 8.527 -38.430 1.00 77.22 ? 141 VAL A O 1 ATOM 853 C CB . VAL A 1 114 ? -53.500 5.944 -36.979 1.00 76.38 ? 141 VAL A CB 1 ATOM 854 C CG1 . VAL A 1 114 ? -54.487 5.247 -37.914 1.00 78.27 ? 141 VAL A CG1 1 ATOM 855 C CG2 . VAL A 1 114 ? -53.090 5.020 -35.837 1.00 76.16 ? 141 VAL A CG2 1 ATOM 856 N N . SER A 1 115 ? -52.378 7.200 -40.054 1.00 80.09 ? 142 SER A N 1 ATOM 857 C CA . SER A 1 115 ? -52.900 7.982 -41.173 1.00 79.80 ? 142 SER A CA 1 ATOM 858 C C . SER A 1 115 ? -54.015 7.184 -41.829 1.00 79.95 ? 142 SER A C 1 ATOM 859 O O . SER A 1 115 ? -53.969 5.962 -41.841 1.00 81.88 ? 142 SER A O 1 ATOM 860 C CB . SER A 1 115 ? -51.791 8.280 -42.174 1.00 81.32 ? 142 SER A CB 1 ATOM 861 O OG . SER A 1 115 ? -50.825 9.136 -41.590 1.00 81.82 ? 142 SER A OG 1 ATOM 862 N N . GLY A 1 116 ? -55.027 7.861 -42.355 1.00 79.51 ? 143 GLY A N 1 ATOM 863 C CA . GLY A 1 116 ? -56.140 7.156 -42.979 1.00 81.09 ? 143 GLY A CA 1 ATOM 864 C C . GLY A 1 116 ? -57.426 7.943 -43.118 1.00 81.29 ? 143 GLY A C 1 ATOM 865 O O . GLY A 1 116 ? -57.432 9.173 -43.035 1.00 80.50 ? 143 GLY A O 1 ATOM 866 N N . THR A 1 117 ? -58.519 7.209 -43.326 1.00 81.76 ? 144 THR A N 1 ATOM 867 C CA . THR A 1 117 ? -59.820 7.799 -43.606 1.00 81.31 ? 144 THR A CA 1 ATOM 868 C C . THR A 1 117 ? -60.950 7.164 -42.801 1.00 80.85 ? 144 THR A C 1 ATOM 869 O O . THR A 1 117 ? -60.834 6.037 -42.314 1.00 80.53 ? 144 THR A O 1 ATOM 870 C CB . THR A 1 117 ? -60.169 7.673 -45.100 1.00 83.54 ? 144 THR A CB 1 ATOM 871 O OG1 . THR A 1 117 ? -60.102 6.295 -45.497 1.00 85.15 ? 144 THR A OG1 1 ATOM 872 C CG2 . THR A 1 117 ? -59.214 8.488 -45.941 1.00 83.22 ? 144 THR A CG2 1 ATOM 873 N N . GLY A 1 118 ? -62.045 7.912 -42.687 1.00 79.98 ? 145 GLY A N 1 ATOM 874 C CA . GLY A 1 118 ? -63.273 7.458 -42.023 1.00 79.67 ? 145 GLY A CA 1 ATOM 875 C C . GLY A 1 118 ? -64.385 8.482 -42.209 1.00 79.41 ? 145 GLY A C 1 ATOM 876 O O . GLY A 1 118 ? -64.124 9.601 -42.672 1.00 78.96 ? 145 GLY A O 1 ATOM 877 N N . PRO A 1 119 ? -65.630 8.121 -41.846 1.00 79.36 ? 146 PRO A N 1 ATOM 878 C CA . PRO A 1 119 ? -66.745 9.043 -42.062 1.00 81.27 ? 146 PRO A CA 1 ATOM 879 C C . PRO A 1 119 ? -66.691 10.310 -41.186 1.00 81.12 ? 146 PRO A C 1 ATOM 880 O O . PRO A 1 119 ? -67.076 11.371 -41.664 1.00 82.06 ? 146 PRO A O 1 ATOM 881 C CB . PRO A 1 119 ? -67.980 8.191 -41.759 1.00 81.90 ? 146 PRO A CB 1 ATOM 882 C CG . PRO A 1 119 ? -67.502 7.129 -40.844 1.00 81.32 ? 146 PRO A CG 1 ATOM 883 C CD . PRO A 1 119 ? -66.050 6.894 -41.152 1.00 80.42 ? 146 PRO A CD 1 ATOM 884 N N . CYS A 1 120 ? -66.211 10.194 -39.944 1.00 80.33 ? 147 CYS A N 1 ATOM 885 C CA . CYS A 1 120 ? -66.044 11.342 -39.028 1.00 80.46 ? 147 CYS A CA 1 ATOM 886 C C . CYS A 1 120 ? -67.350 12.112 -38.806 1.00 80.55 ? 147 CYS A C 1 ATOM 887 O O . CYS A 1 120 ? -67.442 13.308 -39.086 1.00 78.41 ? 147 CYS A O 1 ATOM 888 C CB . CYS A 1 120 ? -64.936 12.287 -39.519 1.00 80.60 ? 147 CYS A CB 1 ATOM 889 S SG . CYS A 1 120 ? -63.323 11.497 -39.761 1.00 82.41 ? 147 CYS A SG 1 ATOM 890 N N . ALA A 1 121 ? -68.355 11.407 -38.292 1.00 82.44 ? 148 ALA A N 1 ATOM 891 C CA . ALA A 1 121 ? -69.704 11.958 -38.137 1.00 83.68 ? 148 ALA A CA 1 ATOM 892 C C . ALA A 1 121 ? -69.823 12.793 -36.854 1.00 81.78 ? 148 ALA A C 1 ATOM 893 O O . ALA A 1 121 ? -70.542 12.424 -35.922 1.00 83.18 ? 148 ALA A O 1 ATOM 894 C CB . ALA A 1 121 ? -70.731 10.829 -38.159 1.00 86.14 ? 148 ALA A CB 1 ATOM 895 N N . GLY A 1 122 ? -69.125 13.927 -36.827 1.00 78.85 ? 149 GLY A N 1 ATOM 896 C CA . GLY A 1 122 ? -69.084 14.792 -35.659 1.00 76.53 ? 149 GLY A CA 1 ATOM 897 C C . GLY A 1 122 ? -67.925 15.768 -35.712 1.00 75.62 ? 149 GLY A C 1 ATOM 898 O O . GLY A 1 122 ? -66.893 15.492 -36.327 1.00 74.61 ? 149 GLY A O 1 ATOM 899 N N . ASP A 1 123 ? -68.091 16.901 -35.028 1.00 75.31 ? 150 ASP A N 1 ATOM 900 C CA . ASP A 1 123 ? -67.115 17.998 -35.064 1.00 72.33 ? 150 ASP A CA 1 ATOM 901 C C . ASP A 1 123 ? -65.814 17.700 -34.333 1.00 69.37 ? 150 ASP A C 1 ATOM 902 O O . ASP A 1 123 ? -64.750 18.127 -34.774 1.00 70.42 ? 150 ASP A O 1 ATOM 903 C CB . ASP A 1 123 ? -67.724 19.269 -34.480 1.00 72.25 ? 150 ASP A CB 1 ATOM 904 C CG . ASP A 1 123 ? -68.887 19.784 -35.289 1.00 74.71 ? 150 ASP A CG 1 ATOM 905 O OD1 . ASP A 1 123 ? -69.067 19.355 -36.450 1.00 77.10 ? 150 ASP A OD1 1 ATOM 906 O OD2 . ASP A 1 123 ? -69.628 20.628 -34.757 1.00 75.94 ? 150 ASP A OD2 1 ATOM 907 N N . PHE A 1 124 ? -65.903 16.996 -33.209 1.00 67.50 ? 151 PHE A N 1 ATOM 908 C CA . PHE A 1 124 ? -64.727 16.624 -32.426 1.00 64.05 ? 151 PHE A CA 1 ATOM 909 C C . PHE A 1 124 ? -64.767 15.165 -32.006 1.00 63.41 ? 151 PHE A C 1 ATOM 910 O O . PHE A 1 124 ? -65.851 14.583 -31.881 1.00 63.78 ? 151 PHE A O 1 ATOM 911 C CB . PHE A 1 124 ? -64.632 17.495 -31.186 1.00 62.09 ? 151 PHE A CB 1 ATOM 912 C CG . PHE A 1 124 ? -64.504 18.951 -31.486 1.00 61.72 ? 151 PHE A CG 1 ATOM 913 C CD1 . PHE A 1 124 ? -63.265 19.505 -31.775 1.00 60.12 ? 151 PHE A CD1 1 ATOM 914 C CD2 . PHE A 1 124 ? -65.627 19.777 -31.486 1.00 62.55 ? 151 PHE A CD2 1 ATOM 915 C CE1 . PHE A 1 124 ? -63.150 20.855 -32.052 1.00 60.06 ? 151 PHE A CE1 1 ATOM 916 C CE2 . PHE A 1 124 ? -65.515 21.129 -31.758 1.00 61.40 ? 151 PHE A CE2 1 ATOM 917 C CZ . PHE A 1 124 ? -64.274 21.667 -32.043 1.00 60.51 ? 151 PHE A CZ 1 ATOM 918 N N . ALA A 1 125 ? -63.577 14.605 -31.774 1.00 61.65 ? 152 ALA A N 1 ATOM 919 C CA . ALA A 1 125 ? -63.412 13.212 -31.356 1.00 62.74 ? 152 ALA A CA 1 ATOM 920 C C . ALA A 1 125 ? -63.178 13.172 -29.859 1.00 62.26 ? 152 ALA A C 1 ATOM 921 O O . ALA A 1 125 ? -62.206 13.749 -29.390 1.00 61.93 ? 152 ALA A O 1 ATOM 922 C CB . ALA A 1 125 ? -62.232 12.579 -32.077 1.00 62.59 ? 152 ALA A CB 1 ATOM 923 N N . PHE A 1 126 ? -64.062 12.494 -29.121 1.00 63.07 ? 153 PHE A N 1 ATOM 924 C CA . PHE A 1 126 ? -63.981 12.390 -27.653 1.00 62.21 ? 153 PHE A CA 1 ATOM 925 C C . PHE A 1 126 ? -63.615 10.975 -27.229 1.00 63.15 ? 153 PHE A C 1 ATOM 926 O O . PHE A 1 126 ? -63.527 10.072 -28.060 1.00 65.19 ? 153 PHE A O 1 ATOM 927 C CB . PHE A 1 126 ? -65.327 12.739 -27.027 1.00 63.57 ? 153 PHE A CB 1 ATOM 928 C CG . PHE A 1 126 ? -65.764 14.150 -27.270 1.00 63.54 ? 153 PHE A CG 1 ATOM 929 C CD1 . PHE A 1 126 ? -66.420 14.493 -28.445 1.00 64.32 ? 153 PHE A CD1 1 ATOM 930 C CD2 . PHE A 1 126 ? -65.535 15.136 -26.322 1.00 62.36 ? 153 PHE A CD2 1 ATOM 931 C CE1 . PHE A 1 126 ? -66.835 15.794 -28.674 1.00 64.44 ? 153 PHE A CE1 1 ATOM 932 C CE2 . PHE A 1 126 ? -65.952 16.437 -26.545 1.00 63.24 ? 153 PHE A CE2 1 ATOM 933 C CZ . PHE A 1 126 ? -66.599 16.769 -27.723 1.00 63.49 ? 153 PHE A CZ 1 ATOM 934 N N . HIS A 1 127 ? -63.397 10.796 -25.931 1.00 62.31 ? 154 HIS A N 1 ATOM 935 C CA . HIS A 1 127 ? -63.172 9.485 -25.343 1.00 63.33 ? 154 HIS A CA 1 ATOM 936 C C . HIS A 1 127 ? -64.519 8.930 -24.890 1.00 66.10 ? 154 HIS A C 1 ATOM 937 O O . HIS A 1 127 ? -65.196 9.544 -24.066 1.00 66.04 ? 154 HIS A O 1 ATOM 938 C CB . HIS A 1 127 ? -62.212 9.594 -24.157 1.00 62.28 ? 154 HIS A CB 1 ATOM 939 C CG . HIS A 1 127 ? -61.431 8.344 -23.897 1.00 62.76 ? 154 HIS A CG 1 ATOM 940 N ND1 . HIS A 1 127 ? -61.935 7.292 -23.167 1.00 64.54 ? 154 HIS A ND1 1 ATOM 941 C CD2 . HIS A 1 127 ? -60.182 7.981 -24.267 1.00 62.00 ? 154 HIS A CD2 1 ATOM 942 C CE1 . HIS A 1 127 ? -61.032 6.334 -23.097 1.00 65.23 ? 154 HIS A CE1 1 ATOM 943 N NE2 . HIS A 1 127 ? -59.958 6.727 -23.757 1.00 64.26 ? 154 HIS A NE2 1 ATOM 944 N N . LYS A 1 128 ? -64.902 7.768 -25.415 1.00 69.21 ? 155 LYS A N 1 ATOM 945 C CA . LYS A 1 128 ? -66.208 7.162 -25.112 1.00 71.90 ? 155 LYS A CA 1 ATOM 946 C C . LYS A 1 128 ? -66.363 6.755 -23.644 1.00 72.50 ? 155 LYS A C 1 ATOM 947 O O . LYS A 1 128 ? -67.476 6.660 -23.129 1.00 73.42 ? 155 LYS A O 1 ATOM 948 C CB . LYS A 1 128 ? -66.448 5.939 -25.994 1.00 74.26 ? 155 LYS A CB 1 ATOM 949 C CG . LYS A 1 128 ? -66.568 6.244 -27.475 1.00 75.60 ? 155 LYS A CG 1 ATOM 950 C CD . LYS A 1 128 ? -66.922 4.981 -28.235 1.00 78.39 ? 155 LYS A CD 1 ATOM 951 C CE . LYS A 1 128 ? -67.036 5.236 -29.726 1.00 79.81 ? 155 LYS A CE 1 ATOM 952 N NZ . LYS A 1 128 ? -67.702 4.087 -30.407 1.00 83.27 ? 155 LYS A NZ 1 ATOM 953 N N . GLU A 1 129 ? -65.240 6.480 -22.996 1.00 72.39 ? 156 GLU A N 1 ATOM 954 C CA . GLU A 1 129 ? -65.206 6.169 -21.565 1.00 74.23 ? 156 GLU A CA 1 ATOM 955 C C . GLU A 1 129 ? -64.995 7.379 -20.628 1.00 72.67 ? 156 GLU A C 1 ATOM 956 O O . GLU A 1 129 ? -64.839 7.211 -19.416 1.00 73.28 ? 156 GLU A O 1 ATOM 957 C CB . GLU A 1 129 ? -64.165 5.068 -21.327 1.00 75.45 ? 156 GLU A CB 1 ATOM 958 C CG . GLU A 1 129 ? -64.522 3.781 -22.071 1.00 78.24 ? 156 GLU A CG 1 ATOM 959 C CD . GLU A 1 129 ? -63.405 2.759 -22.123 1.00 79.74 ? 156 GLU A CD 1 ATOM 960 O OE1 . GLU A 1 129 ? -63.617 1.700 -22.763 1.00 81.86 ? 156 GLU A OE1 1 ATOM 961 O OE2 . GLU A 1 129 ? -62.324 3.006 -21.538 1.00 79.55 ? 156 GLU A OE2 1 ATOM 962 N N . GLY A 1 130 ? -65.018 8.594 -21.180 1.00 71.52 ? 157 GLY A N 1 ATOM 963 C CA . GLY A 1 130 ? -64.935 9.826 -20.388 1.00 68.92 ? 157 GLY A CA 1 ATOM 964 C C . GLY A 1 130 ? -63.543 10.237 -19.945 1.00 65.83 ? 157 GLY A C 1 ATOM 965 O O . GLY A 1 130 ? -63.400 11.221 -19.228 1.00 65.94 ? 157 GLY A O 1 ATOM 966 N N . ALA A 1 131 ? -62.517 9.509 -20.371 1.00 63.19 ? 158 ALA A N 1 ATOM 967 C CA . ALA A 1 131 ? -61.150 9.828 -19.994 1.00 61.63 ? 158 ALA A CA 1 ATOM 968 C C . ALA A 1 131 ? -60.630 10.987 -20.845 1.00 60.60 ? 158 ALA A C 1 ATOM 969 O O . ALA A 1 131 ? -61.345 11.494 -21.716 1.00 61.18 ? 158 ALA A O 1 ATOM 970 C CB . ALA A 1 131 ? -60.262 8.604 -20.140 1.00 61.89 ? 158 ALA A CB 1 ATOM 971 N N . PHE A 1 132 ? -59.393 11.404 -20.578 1.00 58.83 ? 159 PHE A N 1 ATOM 972 C CA . PHE A 1 132 ? -58.782 12.538 -21.260 1.00 58.04 ? 159 PHE A CA 1 ATOM 973 C C . PHE A 1 132 ? -57.698 12.117 -22.237 1.00 57.93 ? 159 PHE A C 1 ATOM 974 O O . PHE A 1 132 ? -57.060 11.065 -22.094 1.00 57.95 ? 159 PHE A O 1 ATOM 975 C CB . PHE A 1 132 ? -58.172 13.506 -20.241 1.00 57.58 ? 159 PHE A CB 1 ATOM 976 C CG . PHE A 1 132 ? -59.188 14.182 -19.368 1.00 58.76 ? 159 PHE A CG 1 ATOM 977 C CD1 . PHE A 1 132 ? -59.859 15.314 -19.813 1.00 59.29 ? 159 PHE A CD1 1 ATOM 978 C CD2 . PHE A 1 132 ? -59.486 13.685 -18.117 1.00 59.54 ? 159 PHE A CD2 1 ATOM 979 C CE1 . PHE A 1 132 ? -60.807 15.936 -19.025 1.00 59.30 ? 159 PHE A CE1 1 ATOM 980 C CE2 . PHE A 1 132 ? -60.431 14.307 -17.322 1.00 61.13 ? 159 PHE A CE2 1 ATOM 981 C CZ . PHE A 1 132 ? -61.094 15.434 -17.778 1.00 60.46 ? 159 PHE A CZ 1 ATOM 982 N N . PHE A 1 133 ? -57.494 12.975 -23.225 1.00 57.39 ? 160 PHE A N 1 ATOM 983 C CA . PHE A 1 133 ? -56.327 12.918 -24.077 1.00 57.53 ? 160 PHE A CA 1 ATOM 984 C C . PHE A 1 133 ? -55.263 13.828 -23.449 1.00 56.84 ? 160 PHE A C 1 ATOM 985 O O . PHE A 1 133 ? -55.431 15.047 -23.359 1.00 54.67 ? 160 PHE A O 1 ATOM 986 C CB . PHE A 1 133 ? -56.709 13.312 -25.507 1.00 58.01 ? 160 PHE A CB 1 ATOM 987 C CG . PHE A 1 133 ? -57.827 12.479 -26.052 1.00 59.37 ? 160 PHE A CG 1 ATOM 988 C CD1 . PHE A 1 133 ? -57.585 11.180 -26.490 1.00 59.65 ? 160 PHE A CD1 1 ATOM 989 C CD2 . PHE A 1 133 ? -59.138 12.956 -26.050 1.00 59.73 ? 160 PHE A CD2 1 ATOM 990 C CE1 . PHE A 1 133 ? -58.614 10.387 -26.957 1.00 60.75 ? 160 PHE A CE1 1 ATOM 991 C CE2 . PHE A 1 133 ? -60.176 12.167 -26.518 1.00 60.28 ? 160 PHE A CE2 1 ATOM 992 C CZ . PHE A 1 133 ? -59.914 10.879 -26.966 1.00 61.63 ? 160 PHE A CZ 1 ATOM 993 N N . LEU A 1 134 ? -54.194 13.200 -22.969 1.00 58.18 ? 161 LEU A N 1 ATOM 994 C CA . LEU A 1 134 ? -53.124 13.893 -22.282 1.00 58.33 ? 161 LEU A CA 1 ATOM 995 C C . LEU A 1 134 ? -52.097 14.344 -23.294 1.00 57.54 ? 161 LEU A C 1 ATOM 996 O O . LEU A 1 134 ? -51.544 13.536 -24.024 1.00 58.44 ? 161 LEU A O 1 ATOM 997 C CB . LEU A 1 134 ? -52.456 12.976 -21.259 1.00 59.57 ? 161 LEU A CB 1 ATOM 998 C CG . LEU A 1 134 ? -53.328 12.395 -20.149 1.00 60.18 ? 161 LEU A CG 1 ATOM 999 C CD1 . LEU A 1 134 ? -52.438 11.594 -19.213 1.00 61.22 ? 161 LEU A CD1 1 ATOM 1000 C CD2 . LEU A 1 134 ? -54.084 13.481 -19.392 1.00 59.88 ? 161 LEU A CD2 1 ATOM 1001 N N . TYR A 1 135 ? -51.862 15.646 -23.326 1.00 57.31 ? 162 TYR A N 1 ATOM 1002 C CA . TYR A 1 135 ? -50.863 16.262 -24.173 1.00 57.74 ? 162 TYR A CA 1 ATOM 1003 C C . TYR A 1 135 ? -49.750 16.752 -23.243 1.00 58.12 ? 162 TYR A C 1 ATOM 1004 O O . TYR A 1 135 ? -49.654 16.269 -22.113 1.00 60.03 ? 162 TYR A O 1 ATOM 1005 C CB . TYR A 1 135 ? -51.533 17.386 -24.965 1.00 57.74 ? 162 TYR A CB 1 ATOM 1006 C CG . TYR A 1 135 ? -52.614 16.876 -25.884 1.00 58.49 ? 162 TYR A CG 1 ATOM 1007 C CD1 . TYR A 1 135 ? -52.301 16.379 -27.143 1.00 59.45 ? 162 TYR A CD1 1 ATOM 1008 C CD2 . TYR A 1 135 ? -53.949 16.878 -25.495 1.00 58.35 ? 162 TYR A CD2 1 ATOM 1009 C CE1 . TYR A 1 135 ? -53.290 15.906 -27.991 1.00 60.24 ? 162 TYR A CE1 1 ATOM 1010 C CE2 . TYR A 1 135 ? -54.941 16.408 -26.338 1.00 58.33 ? 162 TYR A CE2 1 ATOM 1011 C CZ . TYR A 1 135 ? -54.610 15.916 -27.575 1.00 59.29 ? 162 TYR A CZ 1 ATOM 1012 O OH . TYR A 1 135 ? -55.600 15.452 -28.405 1.00 59.79 ? 162 TYR A OH 1 ATOM 1013 N N . ASP A 1 136 ? -48.898 17.673 -23.691 1.00 57.41 ? 163 ASP A N 1 ATOM 1014 C CA . ASP A 1 136 ? -47.851 18.206 -22.822 1.00 57.50 ? 163 ASP A CA 1 ATOM 1015 C C . ASP A 1 136 ? -48.424 19.111 -21.733 1.00 57.21 ? 163 ASP A C 1 ATOM 1016 O O . ASP A 1 136 ? -48.643 20.288 -21.956 1.00 56.71 ? 163 ASP A O 1 ATOM 1017 C CB . ASP A 1 136 ? -46.793 18.958 -23.633 1.00 57.63 ? 163 ASP A CB 1 ATOM 1018 C CG . ASP A 1 136 ? -45.781 19.655 -22.757 1.00 57.27 ? 163 ASP A CG 1 ATOM 1019 O OD1 . ASP A 1 136 ? -45.363 20.765 -23.136 1.00 57.66 ? 163 ASP A OD1 1 ATOM 1020 O OD2 . ASP A 1 136 ? -45.431 19.117 -21.677 1.00 56.32 ? 163 ASP A OD2 1 ATOM 1021 N N . ARG A 1 137 ? -48.664 18.538 -20.556 1.00 59.54 ? 164 ARG A N 1 ATOM 1022 C CA . ARG A 1 137 ? -49.181 19.270 -19.382 1.00 60.77 ? 164 ARG A CA 1 ATOM 1023 C C . ARG A 1 137 ? -50.550 19.943 -19.598 1.00 59.43 ? 164 ARG A C 1 ATOM 1024 O O . ARG A 1 137 ? -50.919 20.867 -18.867 1.00 59.31 ? 164 ARG A O 1 ATOM 1025 C CB . ARG A 1 137 ? -48.146 20.287 -18.872 1.00 63.30 ? 164 ARG A CB 1 ATOM 1026 C CG . ARG A 1 137 ? -46.899 19.637 -18.290 1.00 65.72 ? 164 ARG A CG 1 ATOM 1027 C CD . ARG A 1 137 ? -45.783 20.655 -18.141 1.00 68.24 ? 164 ARG A CD 1 ATOM 1028 N NE . ARG A 1 137 ? -45.302 21.077 -19.456 1.00 69.43 ? 164 ARG A NE 1 ATOM 1029 C CZ . ARG A 1 137 ? -44.746 22.257 -19.741 1.00 70.01 ? 164 ARG A CZ 1 ATOM 1030 N NH1 . ARG A 1 137 ? -44.372 22.502 -20.990 1.00 68.52 ? 164 ARG A NH1 1 ATOM 1031 N NH2 . ARG A 1 137 ? -44.557 23.196 -18.807 1.00 71.72 ? 164 ARG A NH2 1 ATOM 1032 N N . LEU A 1 138 ? -51.297 19.468 -20.592 1.00 57.95 ? 165 LEU A N 1 ATOM 1033 C CA . LEU A 1 138 ? -52.664 19.906 -20.830 1.00 57.32 ? 165 LEU A CA 1 ATOM 1034 C C . LEU A 1 138 ? -53.445 18.646 -21.167 1.00 56.53 ? 165 LEU A C 1 ATOM 1035 O O . LEU A 1 138 ? -53.010 17.850 -22.002 1.00 55.56 ? 165 LEU A O 1 ATOM 1036 C CB . LEU A 1 138 ? -52.747 20.929 -21.973 1.00 56.30 ? 165 LEU A CB 1 ATOM 1037 C CG . LEU A 1 138 ? -52.120 22.302 -21.692 1.00 56.44 ? 165 LEU A CG 1 ATOM 1038 C CD1 . LEU A 1 138 ? -51.879 23.097 -22.966 1.00 57.07 ? 165 LEU A CD1 1 ATOM 1039 C CD2 . LEU A 1 138 ? -52.972 23.117 -20.735 1.00 55.95 ? 165 LEU A CD2 1 ATOM 1040 N N . ALA A 1 139 ? -54.565 18.458 -20.477 1.00 55.70 ? 166 ALA A N 1 ATOM 1041 C CA . ALA A 1 139 ? -55.462 17.342 -20.709 1.00 56.77 ? 166 ALA A CA 1 ATOM 1042 C C . ALA A 1 139 ? -56.674 17.904 -21.423 1.00 57.74 ? 166 ALA A C 1 ATOM 1043 O O . ALA A 1 139 ? -57.298 18.837 -20.914 1.00 57.57 ? 166 ALA A O 1 ATOM 1044 C CB . ALA A 1 139 ? -55.867 16.718 -19.388 1.00 56.66 ? 166 ALA A CB 1 ATOM 1045 N N . SER A 1 140 ? -56.988 17.367 -22.606 1.00 57.82 ? 167 SER A N 1 ATOM 1046 C CA . SER A 1 140 ? -58.168 17.794 -23.361 1.00 56.74 ? 167 SER A CA 1 ATOM 1047 C C . SER A 1 140 ? -59.217 16.691 -23.451 1.00 58.25 ? 167 SER A C 1 ATOM 1048 O O . SER A 1 140 ? -58.910 15.493 -23.384 1.00 56.99 ? 167 SER A O 1 ATOM 1049 C CB . SER A 1 140 ? -57.803 18.238 -24.773 1.00 55.80 ? 167 SER A CB 1 ATOM 1050 O OG . SER A 1 140 ? -58.933 18.782 -25.435 1.00 55.34 ? 167 SER A OG 1 ATOM 1051 N N . THR A 1 141 ? -60.459 17.133 -23.646 1.00 58.12 ? 168 THR A N 1 ATOM 1052 C CA . THR A 1 141 ? -61.579 16.243 -23.838 1.00 58.17 ? 168 THR A CA 1 ATOM 1053 C C . THR A 1 141 ? -61.620 15.688 -25.263 1.00 58.81 ? 168 THR A C 1 ATOM 1054 O O . THR A 1 141 ? -62.395 14.757 -25.523 1.00 61.79 ? 168 THR A O 1 ATOM 1055 C CB . THR A 1 141 ? -62.923 16.943 -23.508 1.00 58.74 ? 168 THR A CB 1 ATOM 1056 O OG1 . THR A 1 141 ? -63.117 18.081 -24.355 1.00 58.26 ? 168 THR A OG1 1 ATOM 1057 C CG2 . THR A 1 141 ? -62.956 17.382 -22.051 1.00 58.20 ? 168 THR A CG2 1 ATOM 1058 N N . VAL A 1 142 ? -60.804 16.244 -26.170 1.00 57.63 ? 169 VAL A N 1 ATOM 1059 C CA . VAL A 1 142 ? -60.817 15.879 -27.593 1.00 58.79 ? 169 VAL A CA 1 ATOM 1060 C C . VAL A 1 142 ? -59.429 15.647 -28.206 1.00 58.06 ? 169 VAL A C 1 ATOM 1061 O O . VAL A 1 142 ? -58.418 16.044 -27.637 1.00 57.18 ? 169 VAL A O 1 ATOM 1062 C CB . VAL A 1 142 ? -61.559 16.939 -28.444 1.00 60.04 ? 169 VAL A CB 1 ATOM 1063 C CG1 . VAL A 1 142 ? -62.945 17.197 -27.869 1.00 60.95 ? 169 VAL A CG1 1 ATOM 1064 C CG2 . VAL A 1 142 ? -60.752 18.241 -28.565 1.00 59.08 ? 169 VAL A CG2 1 ATOM 1065 N N . ILE A 1 143 ? -59.409 15.016 -29.382 1.00 59.80 ? 170 ILE A N 1 ATOM 1066 C CA . ILE A 1 143 ? -58.167 14.697 -30.099 1.00 60.77 ? 170 ILE A CA 1 ATOM 1067 C C . ILE A 1 143 ? -57.823 15.818 -31.073 1.00 61.13 ? 170 ILE A C 1 ATOM 1068 O O . ILE A 1 143 ? -58.673 16.213 -31.880 1.00 62.67 ? 170 ILE A O 1 ATOM 1069 C CB . ILE A 1 143 ? -58.267 13.365 -30.883 1.00 61.55 ? 170 ILE A CB 1 ATOM 1070 C CG1 . ILE A 1 143 ? -58.538 12.199 -29.929 1.00 62.59 ? 170 ILE A CG1 1 ATOM 1071 C CG2 . ILE A 1 143 ? -56.980 13.101 -31.657 1.00 61.70 ? 170 ILE A CG2 1 ATOM 1072 C CD1 . ILE A 1 143 ? -58.875 10.893 -30.613 1.00 64.41 ? 170 ILE A CD1 1 ATOM 1073 N N . TYR A 1 144 ? -56.587 16.317 -31.012 1.00 60.49 ? 171 TYR A N 1 ATOM 1074 C CA . TYR A 1 144 ? -56.101 17.290 -32.007 1.00 61.41 ? 171 TYR A CA 1 ATOM 1075 C C . TYR A 1 144 ? -55.319 16.579 -33.110 1.00 61.57 ? 171 TYR A C 1 ATOM 1076 O O . TYR A 1 144 ? -54.729 15.518 -32.897 1.00 61.01 ? 171 TYR A O 1 ATOM 1077 C CB . TYR A 1 144 ? -55.264 18.405 -31.366 1.00 61.22 ? 171 TYR A CB 1 ATOM 1078 C CG . TYR A 1 144 ? -55.951 19.067 -30.190 1.00 61.01 ? 171 TYR A CG 1 ATOM 1079 C CD1 . TYR A 1 144 ? -57.062 19.880 -30.376 1.00 61.64 ? 171 TYR A CD1 1 ATOM 1080 C CD2 . TYR A 1 144 ? -55.502 18.862 -28.895 1.00 60.84 ? 171 TYR A CD2 1 ATOM 1081 C CE1 . TYR A 1 144 ? -57.701 20.480 -29.307 1.00 62.24 ? 171 TYR A CE1 1 ATOM 1082 C CE2 . TYR A 1 144 ? -56.133 19.453 -27.817 1.00 62.03 ? 171 TYR A CE2 1 ATOM 1083 C CZ . TYR A 1 144 ? -57.234 20.259 -28.028 1.00 63.34 ? 171 TYR A CZ 1 ATOM 1084 O OH . TYR A 1 144 ? -57.857 20.857 -26.956 1.00 67.56 ? 171 TYR A OH 1 ATOM 1085 N N . ARG A 1 145 ? -55.338 17.177 -34.296 1.00 62.31 ? 172 ARG A N 1 ATOM 1086 C CA . ARG A 1 145 ? -54.737 16.581 -35.476 1.00 63.14 ? 172 ARG A CA 1 ATOM 1087 C C . ARG A 1 145 ? -53.231 16.483 -35.318 1.00 60.89 ? 172 ARG A C 1 ATOM 1088 O O . ARG A 1 145 ? -52.586 17.429 -34.879 1.00 57.89 ? 172 ARG A O 1 ATOM 1089 C CB . ARG A 1 145 ? -55.054 17.424 -36.711 1.00 65.54 ? 172 ARG A CB 1 ATOM 1090 C CG . ARG A 1 145 ? -54.553 16.847 -38.029 1.00 68.90 ? 172 ARG A CG 1 ATOM 1091 C CD . ARG A 1 145 ? -54.421 17.932 -39.073 1.00 72.25 ? 172 ARG A CD 1 ATOM 1092 N NE . ARG A 1 145 ? -55.685 18.651 -39.223 1.00 74.54 ? 172 ARG A NE 1 ATOM 1093 C CZ . ARG A 1 145 ? -55.818 19.913 -39.624 1.00 75.86 ? 172 ARG A CZ 1 ATOM 1094 N NH1 . ARG A 1 145 ? -54.760 20.658 -39.944 1.00 77.08 ? 172 ARG A NH1 1 ATOM 1095 N NH2 . ARG A 1 145 ? -57.037 20.440 -39.699 1.00 77.19 ? 172 ARG A NH2 1 ATOM 1096 N N . GLY A 1 146 ? -52.687 15.325 -35.681 1.00 61.64 ? 173 GLY A N 1 ATOM 1097 C CA . GLY A 1 146 ? -51.245 15.149 -35.826 1.00 61.93 ? 173 GLY A CA 1 ATOM 1098 C C . GLY A 1 146 ? -50.441 15.541 -34.603 1.00 60.53 ? 173 GLY A C 1 ATOM 1099 O O . GLY A 1 146 ? -49.335 16.050 -34.729 1.00 59.61 ? 173 GLY A O 1 ATOM 1100 N N . THR A 1 147 ? -51.014 15.292 -33.426 1.00 60.83 ? 174 THR A N 1 ATOM 1101 C CA . THR A 1 147 ? -50.428 15.670 -32.149 1.00 59.94 ? 174 THR A CA 1 ATOM 1102 C C . THR A 1 147 ? -50.463 14.455 -31.235 1.00 59.98 ? 174 THR A C 1 ATOM 1103 O O . THR A 1 147 ? -51.497 13.799 -31.098 1.00 60.15 ? 174 THR A O 1 ATOM 1104 C CB . THR A 1 147 ? -51.200 16.831 -31.508 1.00 59.61 ? 174 THR A CB 1 ATOM 1105 O OG1 . THR A 1 147 ? -51.357 17.886 -32.467 1.00 59.29 ? 174 THR A OG1 1 ATOM 1106 C CG2 . THR A 1 147 ? -50.452 17.360 -30.289 1.00 59.84 ? 174 THR A CG2 1 ATOM 1107 N N . THR A 1 148 ? -49.325 14.167 -30.616 1.00 59.75 ? 175 THR A N 1 ATOM 1108 C CA . THR A 1 148 ? -49.133 12.919 -29.904 1.00 59.12 ? 175 THR A CA 1 ATOM 1109 C C . THR A 1 148 ? -49.811 12.991 -28.545 1.00 59.00 ? 175 THR A C 1 ATOM 1110 O O . THR A 1 148 ? -49.649 13.978 -27.828 1.00 58.69 ? 175 THR A O 1 ATOM 1111 C CB . THR A 1 148 ? -47.639 12.602 -29.746 1.00 58.74 ? 175 THR A CB 1 ATOM 1112 O OG1 . THR A 1 148 ? -47.086 12.368 -31.036 1.00 59.46 ? 175 THR A OG1 1 ATOM 1113 C CG2 . THR A 1 148 ? -47.421 11.362 -28.897 1.00 59.77 ? 175 THR A CG2 1 ATOM 1114 N N . PHE A 1 149 ? -50.554 11.939 -28.192 1.00 58.67 ? 176 PHE A N 1 ATOM 1115 C CA . PHE A 1 149 ? -51.262 11.907 -26.920 1.00 58.07 ? 176 PHE A CA 1 ATOM 1116 C C . PHE A 1 149 ? -51.215 10.538 -26.273 1.00 58.26 ? 176 PHE A C 1 ATOM 1117 O O . PHE A 1 149 ? -51.119 9.526 -26.961 1.00 60.10 ? 176 PHE A O 1 ATOM 1118 C CB . PHE A 1 149 ? -52.726 12.360 -27.097 1.00 57.89 ? 176 PHE A CB 1 ATOM 1119 C CG . PHE A 1 149 ? -53.577 11.417 -27.901 1.00 58.15 ? 176 PHE A CG 1 ATOM 1120 C CD1 . PHE A 1 149 ? -54.147 10.284 -27.314 1.00 59.37 ? 176 PHE A CD1 1 ATOM 1121 C CD2 . PHE A 1 149 ? -53.832 11.668 -29.236 1.00 58.72 ? 176 PHE A CD2 1 ATOM 1122 C CE1 . PHE A 1 149 ? -54.935 9.411 -28.056 1.00 60.04 ? 176 PHE A CE1 1 ATOM 1123 C CE2 . PHE A 1 149 ? -54.619 10.800 -29.980 1.00 60.28 ? 176 PHE A CE2 1 ATOM 1124 C CZ . PHE A 1 149 ? -55.176 9.673 -29.390 1.00 60.15 ? 176 PHE A CZ 1 ATOM 1125 N N . ALA A 1 150 ? -51.288 10.533 -24.945 1.00 57.31 ? 177 ALA A N 1 ATOM 1126 C CA . ALA A 1 150 ? -51.579 9.345 -24.163 1.00 58.63 ? 177 ALA A CA 1 ATOM 1127 C C . ALA A 1 150 ? -52.998 9.471 -23.608 1.00 58.45 ? 177 ALA A C 1 ATOM 1128 O O . ALA A 1 150 ? -53.450 10.570 -23.285 1.00 57.12 ? 177 ALA A O 1 ATOM 1129 C CB . ALA A 1 150 ? -50.584 9.205 -23.030 1.00 58.83 ? 177 ALA A CB 1 ATOM 1130 N N . GLU A 1 151 ? -53.701 8.346 -23.528 1.00 59.15 ? 178 GLU A N 1 ATOM 1131 C CA . GLU A 1 151 ? -54.980 8.302 -22.843 1.00 59.49 ? 178 GLU A CA 1 ATOM 1132 C C . GLU A 1 151 ? -54.688 8.349 -21.370 1.00 60.50 ? 178 GLU A C 1 ATOM 1133 O O . GLU A 1 151 ? -53.731 7.731 -20.911 1.00 61.52 ? 178 GLU A O 1 ATOM 1134 C CB . GLU A 1 151 ? -55.728 7.017 -23.132 1.00 60.56 ? 178 GLU A CB 1 ATOM 1135 C CG . GLU A 1 151 ? -56.304 6.923 -24.516 1.00 61.36 ? 178 GLU A CG 1 ATOM 1136 C CD . GLU A 1 151 ? -56.723 5.511 -24.831 1.00 64.10 ? 178 GLU A CD 1 ATOM 1137 O OE1 . GLU A 1 151 ? -57.946 5.266 -24.977 1.00 65.07 ? 178 GLU A OE1 1 ATOM 1138 O OE2 . GLU A 1 151 ? -55.825 4.639 -24.902 1.00 65.17 ? 178 GLU A OE2 1 ATOM 1139 N N . GLY A 1 152 ? -55.516 9.067 -20.620 1.00 60.97 ? 179 GLY A N 1 ATOM 1140 C CA . GLY A 1 152 ? -55.316 9.155 -19.185 1.00 59.97 ? 179 GLY A CA 1 ATOM 1141 C C . GLY A 1 152 ? -56.375 9.932 -18.447 1.00 58.74 ? 179 GLY A C 1 ATOM 1142 O O . GLY A 1 152 ? -57.380 10.367 -19.016 1.00 59.07 ? 179 GLY A O 1 ATOM 1143 N N . VAL A 1 153 ? -56.114 10.105 -17.163 1.00 57.19 ? 180 VAL A N 1 ATOM 1144 C CA . VAL A 1 153 ? -57.038 10.731 -16.240 1.00 56.25 ? 180 VAL A CA 1 ATOM 1145 C C . VAL A 1 153 ? -56.230 11.593 -15.266 1.00 55.58 ? 180 VAL A C 1 ATOM 1146 O O . VAL A 1 153 ? -55.002 11.462 -15.181 1.00 55.43 ? 180 VAL A O 1 ATOM 1147 C CB . VAL A 1 153 ? -57.872 9.659 -15.499 1.00 56.88 ? 180 VAL A CB 1 ATOM 1148 C CG1 . VAL A 1 153 ? -59.059 9.221 -16.348 1.00 56.98 ? 180 VAL A CG1 1 ATOM 1149 C CG2 . VAL A 1 153 ? -57.012 8.463 -15.134 1.00 56.80 ? 180 VAL A CG2 1 ATOM 1150 N N . VAL A 1 154 ? -56.918 12.469 -14.540 1.00 55.85 ? 181 VAL A N 1 ATOM 1151 C CA . VAL A 1 154 ? -56.259 13.480 -13.714 1.00 55.05 ? 181 VAL A CA 1 ATOM 1152 C C . VAL A 1 154 ? -56.649 13.344 -12.249 1.00 56.28 ? 181 VAL A C 1 ATOM 1153 O O . VAL A 1 154 ? -57.782 12.987 -11.930 1.00 58.16 ? 181 VAL A O 1 ATOM 1154 C CB . VAL A 1 154 ? -56.566 14.893 -14.230 1.00 53.87 ? 181 VAL A CB 1 ATOM 1155 C CG1 . VAL A 1 154 ? -55.972 15.951 -13.321 1.00 54.08 ? 181 VAL A CG1 1 ATOM 1156 C CG2 . VAL A 1 154 ? -56.014 15.049 -15.635 1.00 53.31 ? 181 VAL A CG2 1 ATOM 1157 N N . ALA A 1 155 ? -55.677 13.614 -11.379 1.00 56.72 ? 182 ALA A N 1 ATOM 1158 C CA . ALA A 1 155 ? -55.842 13.612 -9.934 1.00 57.67 ? 182 ALA A CA 1 ATOM 1159 C C . ALA A 1 155 ? -55.283 14.911 -9.342 1.00 57.89 ? 182 ALA A C 1 ATOM 1160 O O . ALA A 1 155 ? -54.452 15.584 -9.959 1.00 57.75 ? 182 ALA A O 1 ATOM 1161 C CB . ALA A 1 155 ? -55.117 12.417 -9.336 1.00 58.56 ? 182 ALA A CB 1 ATOM 1162 N N . PHE A 1 156 ? -55.742 15.237 -8.135 1.00 59.28 ? 183 PHE A N 1 ATOM 1163 C CA . PHE A 1 156 ? -55.263 16.387 -7.379 1.00 58.64 ? 183 PHE A CA 1 ATOM 1164 C C . PHE A 1 156 ? -54.865 15.941 -5.975 1.00 60.32 ? 183 PHE A C 1 ATOM 1165 O O . PHE A 1 156 ? -55.622 15.224 -5.332 1.00 62.33 ? 183 PHE A O 1 ATOM 1166 C CB . PHE A 1 156 ? -56.355 17.447 -7.318 1.00 57.63 ? 183 PHE A CB 1 ATOM 1167 C CG . PHE A 1 156 ? -56.855 17.859 -8.664 1.00 57.39 ? 183 PHE A CG 1 ATOM 1168 C CD1 . PHE A 1 156 ? -58.019 17.301 -9.192 1.00 58.60 ? 183 PHE A CD1 1 ATOM 1169 C CD2 . PHE A 1 156 ? -56.147 18.786 -9.428 1.00 56.50 ? 183 PHE A CD2 1 ATOM 1170 C CE1 . PHE A 1 156 ? -58.474 17.676 -10.447 1.00 59.07 ? 183 PHE A CE1 1 ATOM 1171 C CE2 . PHE A 1 156 ? -56.592 19.167 -10.683 1.00 55.76 ? 183 PHE A CE2 1 ATOM 1172 C CZ . PHE A 1 156 ? -57.755 18.612 -11.197 1.00 57.80 ? 183 PHE A CZ 1 ATOM 1173 N N . LEU A 1 157 ? -53.701 16.379 -5.495 1.00 60.98 ? 184 LEU A N 1 ATOM 1174 C CA . LEU A 1 157 ? -53.160 15.930 -4.214 1.00 64.20 ? 184 LEU A CA 1 ATOM 1175 C C . LEU A 1 157 ? -52.757 17.074 -3.319 1.00 65.79 ? 184 LEU A C 1 ATOM 1176 O O . LEU A 1 157 ? -52.313 18.098 -3.807 1.00 66.13 ? 184 LEU A O 1 ATOM 1177 C CB . LEU A 1 157 ? -51.889 15.122 -4.447 1.00 66.23 ? 184 LEU A CB 1 ATOM 1178 C CG . LEU A 1 157 ? -51.878 13.998 -5.471 1.00 65.26 ? 184 LEU A CG 1 ATOM 1179 C CD1 . LEU A 1 157 ? -50.433 13.647 -5.751 1.00 66.19 ? 184 LEU A CD1 1 ATOM 1180 C CD2 . LEU A 1 157 ? -52.650 12.798 -4.954 1.00 66.44 ? 184 LEU A CD2 1 ATOM 1181 N N . ILE A 1 158 ? -52.891 16.877 -2.011 1.00 71.18 ? 185 ILE A N 1 ATOM 1182 C CA . ILE A 1 158 ? -52.139 17.641 -1.021 1.00 75.79 ? 185 ILE A CA 1 ATOM 1183 C C . ILE A 1 158 ? -51.031 16.702 -0.571 1.00 78.17 ? 185 ILE A C 1 ATOM 1184 O O . ILE A 1 158 ? -51.305 15.616 -0.077 1.00 79.57 ? 185 ILE A O 1 ATOM 1185 C CB . ILE A 1 158 ? -52.946 18.026 0.246 1.00 79.00 ? 185 ILE A CB 1 ATOM 1186 C CG1 . ILE A 1 158 ? -54.362 18.489 -0.078 1.00 81.18 ? 185 ILE A CG1 1 ATOM 1187 C CG2 . ILE A 1 158 ? -52.229 19.133 1.012 1.00 79.32 ? 185 ILE A CG2 1 ATOM 1188 C CD1 . ILE A 1 158 ? -55.185 18.802 1.162 1.00 84.05 ? 185 ILE A CD1 1 ATOM 1189 N N . LEU A 1 159 ? -49.789 17.127 -0.730 1.00 82.38 ? 186 LEU A N 1 ATOM 1190 C CA . LEU A 1 159 ? -48.647 16.408 -0.184 1.00 87.39 ? 186 LEU A CA 1 ATOM 1191 C C . LEU A 1 159 ? -48.338 16.940 1.214 1.00 95.10 ? 186 LEU A C 1 ATOM 1192 O O . LEU A 1 159 ? -48.763 18.044 1.564 1.00 96.91 ? 186 LEU A O 1 ATOM 1193 C CB . LEU A 1 159 ? -47.433 16.630 -1.064 1.00 85.71 ? 186 LEU A CB 1 ATOM 1194 C CG . LEU A 1 159 ? -47.649 16.301 -2.532 1.00 85.80 ? 186 LEU A CG 1 ATOM 1195 C CD1 . LEU A 1 159 ? -46.510 16.907 -3.328 1.00 86.46 ? 186 LEU A CD1 1 ATOM 1196 C CD2 . LEU A 1 159 ? -47.773 14.798 -2.749 1.00 86.82 ? 186 LEU A CD2 1 ATOM 1197 N N . PRO A 1 160 ? -47.585 16.173 2.019 1.00 104.35 ? 187 PRO A N 1 ATOM 1198 C CA . PRO A 1 160 ? -46.972 16.759 3.226 1.00 110.87 ? 187 PRO A CA 1 ATOM 1199 C C . PRO A 1 160 ? -45.842 17.766 2.901 1.00 117.26 ? 187 PRO A C 1 ATOM 1200 O O . PRO A 1 160 ? -45.735 18.226 1.759 1.00 117.11 ? 187 PRO A O 1 ATOM 1201 C CB . PRO A 1 160 ? -46.420 15.531 3.962 1.00 112.58 ? 187 PRO A CB 1 ATOM 1202 C CG . PRO A 1 160 ? -47.212 14.374 3.442 1.00 110.06 ? 187 PRO A CG 1 ATOM 1203 C CD . PRO A 1 160 ? -47.493 14.701 2.012 1.00 106.19 ? 187 PRO A CD 1 ATOM 1204 N N . GLN A 1 161 ? -45.029 18.120 3.902 1.00 128.04 ? 188 GLN A N 1 ATOM 1205 C CA . GLN A 1 161 ? -43.780 18.890 3.686 1.00 134.48 ? 188 GLN A CA 1 ATOM 1206 C C . GLN A 1 161 ? -42.492 18.037 3.744 1.00 139.61 ? 188 GLN A C 1 ATOM 1207 O O . GLN A 1 161 ? -41.424 18.518 3.351 1.00 139.78 ? 188 GLN A O 1 ATOM 1208 C CB . GLN A 1 161 ? -43.662 20.039 4.692 1.00 136.65 ? 188 GLN A CB 1 ATOM 1209 C CG . GLN A 1 161 ? -44.822 21.025 4.675 1.00 136.58 ? 188 GLN A CG 1 ATOM 1210 C CD . GLN A 1 161 ? -45.891 20.703 5.708 1.00 138.24 ? 188 GLN A CD 1 ATOM 1211 O OE1 . GLN A 1 161 ? -46.363 19.565 5.804 1.00 136.67 ? 188 GLN A OE1 1 ATOM 1212 N NE2 . GLN A 1 161 ? -46.278 21.708 6.491 1.00 138.67 ? 188 GLN A NE2 1 ATOM 1213 N N . ALA A 1 162 ? -42.589 16.799 4.243 1.00 143.72 ? 189 ALA A N 1 ATOM 1214 C CA . ALA A 1 162 ? -41.450 15.868 4.296 1.00 147.30 ? 189 ALA A CA 1 ATOM 1215 C C . ALA A 1 162 ? -41.927 14.407 4.265 1.00 148.61 ? 189 ALA A C 1 ATOM 1216 O O . ALA A 1 162 ? -42.599 13.955 5.195 1.00 151.53 ? 189 ALA A O 1 ATOM 1217 C CB . ALA A 1 162 ? -40.617 16.125 5.545 1.00 148.27 ? 189 ALA A CB 1 ATOM 1218 N N . LYS A 1 163 ? -41.585 13.681 3.197 1.00 147.21 ? 190 LYS A N 1 ATOM 1219 C CA . LYS A 1 163 ? -41.956 12.264 3.052 1.00 145.16 ? 190 LYS A CA 1 ATOM 1220 C C . LYS A 1 163 ? -41.011 11.531 2.094 1.00 142.31 ? 190 LYS A C 1 ATOM 1221 O O . LYS A 1 163 ? -41.432 10.979 1.075 1.00 137.67 ? 190 LYS A O 1 ATOM 1222 C CB . LYS A 1 163 ? -43.408 12.138 2.576 1.00 141.93 ? 190 LYS A CB 1 ATOM 1223 N N . SER A 1 184 ? -30.894 5.519 -17.476 1.00 132.97 ? 211 SER A N 1 ATOM 1224 C CA . SER A 1 184 ? -31.411 5.386 -18.833 1.00 130.80 ? 211 SER A CA 1 ATOM 1225 C C . SER A 1 184 ? -32.053 6.690 -19.332 1.00 127.24 ? 211 SER A C 1 ATOM 1226 O O . SER A 1 184 ? -32.708 7.425 -18.568 1.00 123.86 ? 211 SER A O 1 ATOM 1227 C CB . SER A 1 184 ? -32.424 4.241 -18.913 1.00 129.63 ? 211 SER A CB 1 ATOM 1228 O OG . SER A 1 184 ? -31.850 3.028 -18.462 1.00 133.67 ? 211 SER A OG 1 ATOM 1229 N N . GLY A 1 185 ? -31.856 6.962 -20.622 1.00 124.47 ? 212 GLY A N 1 ATOM 1230 C CA . GLY A 1 185 ? -32.386 8.157 -21.260 1.00 119.17 ? 212 GLY A CA 1 ATOM 1231 C C . GLY A 1 185 ? -33.798 7.916 -21.752 1.00 113.84 ? 212 GLY A C 1 ATOM 1232 O O . GLY A 1 185 ? -34.530 7.085 -21.198 1.00 114.23 ? 212 GLY A O 1 ATOM 1233 N N . TYR A 1 186 ? -34.168 8.640 -22.805 1.00 107.55 ? 213 TYR A N 1 ATOM 1234 C CA . TYR A 1 186 ? -35.508 8.585 -23.366 1.00 101.55 ? 213 TYR A CA 1 ATOM 1235 C C . TYR A 1 186 ? -35.445 8.246 -24.851 1.00 100.99 ? 213 TYR A C 1 ATOM 1236 O O . TYR A 1 186 ? -35.028 9.070 -25.665 1.00 100.25 ? 213 TYR A O 1 ATOM 1237 C CB . TYR A 1 186 ? -36.224 9.920 -23.127 1.00 96.78 ? 213 TYR A CB 1 ATOM 1238 C CG . TYR A 1 186 ? -37.479 10.107 -23.938 1.00 92.08 ? 213 TYR A CG 1 ATOM 1239 C CD1 . TYR A 1 186 ? -38.470 9.121 -23.975 1.00 90.79 ? 213 TYR A CD1 1 ATOM 1240 C CD2 . TYR A 1 186 ? -37.679 11.268 -24.676 1.00 90.10 ? 213 TYR A CD2 1 ATOM 1241 C CE1 . TYR A 1 186 ? -39.620 9.290 -24.730 1.00 88.18 ? 213 TYR A CE1 1 ATOM 1242 C CE2 . TYR A 1 186 ? -38.827 11.451 -25.428 1.00 88.01 ? 213 TYR A CE2 1 ATOM 1243 C CZ . TYR A 1 186 ? -39.793 10.462 -25.454 1.00 87.12 ? 213 TYR A CZ 1 ATOM 1244 O OH . TYR A 1 186 ? -40.929 10.657 -26.202 1.00 85.26 ? 213 TYR A OH 1 ATOM 1245 N N . TYR A 1 187 ? -35.872 7.031 -25.186 1.00 101.85 ? 214 TYR A N 1 ATOM 1246 C CA . TYR A 1 187 ? -35.958 6.572 -26.571 1.00 102.65 ? 214 TYR A CA 1 ATOM 1247 C C . TYR A 1 187 ? -37.416 6.611 -27.014 1.00 96.37 ? 214 TYR A C 1 ATOM 1248 O O . TYR A 1 187 ? -38.315 6.399 -26.200 1.00 97.07 ? 214 TYR A O 1 ATOM 1249 C CB . TYR A 1 187 ? -35.441 5.139 -26.688 1.00 108.21 ? 214 TYR A CB 1 ATOM 1250 C CG . TYR A 1 187 ? -34.098 4.890 -26.041 1.00 115.55 ? 214 TYR A CG 1 ATOM 1251 C CD1 . TYR A 1 187 ? -34.003 4.537 -24.691 1.00 119.22 ? 214 TYR A CD1 1 ATOM 1252 C CD2 . TYR A 1 187 ? -32.916 4.979 -26.782 1.00 121.09 ? 214 TYR A CD2 1 ATOM 1253 C CE1 . TYR A 1 187 ? -32.769 4.289 -24.097 1.00 125.27 ? 214 TYR A CE1 1 ATOM 1254 C CE2 . TYR A 1 187 ? -31.675 4.729 -26.201 1.00 126.03 ? 214 TYR A CE2 1 ATOM 1255 C CZ . TYR A 1 187 ? -31.604 4.385 -24.859 1.00 128.30 ? 214 TYR A CZ 1 ATOM 1256 O OH . TYR A 1 187 ? -30.376 4.143 -24.281 1.00 132.75 ? 214 TYR A OH 1 ATOM 1257 N N . SER A 1 188 ? -37.648 6.888 -28.294 1.00 91.19 ? 215 SER A N 1 ATOM 1258 C CA . SER A 1 188 ? -39.002 6.895 -28.858 1.00 85.23 ? 215 SER A CA 1 ATOM 1259 C C . SER A 1 188 ? -38.978 6.422 -30.302 1.00 84.12 ? 215 SER A C 1 ATOM 1260 O O . SER A 1 188 ? -38.168 6.896 -31.094 1.00 85.33 ? 215 SER A O 1 ATOM 1261 C CB . SER A 1 188 ? -39.613 8.288 -28.787 1.00 81.67 ? 215 SER A CB 1 ATOM 1262 O OG . SER A 1 188 ? -40.953 8.261 -29.232 1.00 78.59 ? 215 SER A OG 1 ATOM 1263 N N . THR A 1 189 ? -39.880 5.499 -30.629 1.00 81.75 ? 216 THR A N 1 ATOM 1264 C CA . THR A 1 189 ? -39.951 4.873 -31.944 1.00 80.79 ? 216 THR A CA 1 ATOM 1265 C C . THR A 1 189 ? -41.345 5.084 -32.514 1.00 78.21 ? 216 THR A C 1 ATOM 1266 O O . THR A 1 189 ? -42.337 4.875 -31.827 1.00 78.08 ? 216 THR A O 1 ATOM 1267 C CB . THR A 1 189 ? -39.672 3.363 -31.827 1.00 82.46 ? 216 THR A CB 1 ATOM 1268 O OG1 . THR A 1 189 ? -38.380 3.167 -31.250 1.00 84.87 ? 216 THR A OG1 1 ATOM 1269 C CG2 . THR A 1 189 ? -39.728 2.673 -33.182 1.00 82.64 ? 216 THR A CG2 1 ATOM 1270 N N . THR A 1 190 ? -41.420 5.504 -33.769 1.00 77.44 ? 217 THR A N 1 ATOM 1271 C CA . THR A 1 190 ? -42.697 5.780 -34.414 1.00 75.59 ? 217 THR A CA 1 ATOM 1272 C C . THR A 1 190 ? -43.107 4.563 -35.217 1.00 76.40 ? 217 THR A C 1 ATOM 1273 O O . THR A 1 190 ? -42.275 3.942 -35.863 1.00 80.09 ? 217 THR A O 1 ATOM 1274 C CB . THR A 1 190 ? -42.599 7.018 -35.320 1.00 74.40 ? 217 THR A CB 1 ATOM 1275 O OG1 . THR A 1 190 ? -42.297 8.162 -34.514 1.00 73.06 ? 217 THR A OG1 1 ATOM 1276 C CG2 . THR A 1 190 ? -43.902 7.268 -36.058 1.00 73.78 ? 217 THR A CG2 1 ATOM 1277 N N . ILE A 1 191 ? -44.390 4.226 -35.158 1.00 75.42 ? 218 ILE A N 1 ATOM 1278 C CA . ILE A 1 191 ? -44.942 3.052 -35.826 1.00 75.75 ? 218 ILE A CA 1 ATOM 1279 C C . ILE A 1 191 ? -46.108 3.551 -36.655 1.00 75.78 ? 218 ILE A C 1 ATOM 1280 O O . ILE A 1 191 ? -47.037 4.143 -36.108 1.00 74.52 ? 218 ILE A O 1 ATOM 1281 C CB . ILE A 1 191 ? -45.420 2.009 -34.800 1.00 75.51 ? 218 ILE A CB 1 ATOM 1282 C CG1 . ILE A 1 191 ? -44.267 1.635 -33.868 1.00 76.65 ? 218 ILE A CG1 1 ATOM 1283 C CG2 . ILE A 1 191 ? -45.970 0.767 -35.490 1.00 76.54 ? 218 ILE A CG2 1 ATOM 1284 C CD1 . ILE A 1 191 ? -44.588 0.522 -32.898 1.00 78.19 ? 218 ILE A CD1 1 ATOM 1285 N N . ARG A 1 192 ? -46.060 3.306 -37.963 1.00 78.40 ? 219 ARG A N 1 ATOM 1286 C CA . ARG A 1 192 ? -46.973 3.947 -38.904 1.00 79.49 ? 219 ARG A CA 1 ATOM 1287 C C . ARG A 1 192 ? -48.028 2.982 -39.405 1.00 79.65 ? 219 ARG A C 1 ATOM 1288 O O . ARG A 1 192 ? -47.734 1.825 -39.699 1.00 81.01 ? 219 ARG A O 1 ATOM 1289 C CB . ARG A 1 192 ? -46.197 4.553 -40.068 1.00 81.95 ? 219 ARG A CB 1 ATOM 1290 C CG . ARG A 1 192 ? -45.241 5.638 -39.614 1.00 84.19 ? 219 ARG A CG 1 ATOM 1291 C CD . ARG A 1 192 ? -44.647 6.418 -40.776 1.00 88.66 ? 219 ARG A CD 1 ATOM 1292 N NE . ARG A 1 192 ? -44.284 7.777 -40.355 1.00 91.02 ? 219 ARG A NE 1 ATOM 1293 C CZ . ARG A 1 192 ? -43.162 8.124 -39.713 1.00 92.75 ? 219 ARG A CZ 1 ATOM 1294 N NH1 . ARG A 1 192 ? -42.976 9.402 -39.381 1.00 94.32 ? 219 ARG A NH1 1 ATOM 1295 N NH2 . ARG A 1 192 ? -42.224 7.225 -39.394 1.00 92.91 ? 219 ARG A NH2 1 ATOM 1296 N N . TYR A 1 193 ? -49.258 3.480 -39.497 1.00 78.87 ? 220 TYR A N 1 ATOM 1297 C CA . TYR A 1 193 ? -50.414 2.679 -39.855 1.00 79.23 ? 220 TYR A CA 1 ATOM 1298 C C . TYR A 1 193 ? -51.257 3.407 -40.887 1.00 79.58 ? 220 TYR A C 1 ATOM 1299 O O . TYR A 1 193 ? -51.493 4.608 -40.753 1.00 78.89 ? 220 TYR A O 1 ATOM 1300 C CB . TYR A 1 193 ? -51.298 2.458 -38.630 1.00 79.04 ? 220 TYR A CB 1 ATOM 1301 C CG . TYR A 1 193 ? -50.664 1.759 -37.449 1.00 78.20 ? 220 TYR A CG 1 ATOM 1302 C CD1 . TYR A 1 193 ? -49.987 2.476 -36.463 1.00 76.71 ? 220 TYR A CD1 1 ATOM 1303 C CD2 . TYR A 1 193 ? -50.797 0.389 -37.285 1.00 79.38 ? 220 TYR A CD2 1 ATOM 1304 C CE1 . TYR A 1 193 ? -49.432 1.835 -35.362 1.00 76.58 ? 220 TYR A CE1 1 ATOM 1305 C CE2 . TYR A 1 193 ? -50.245 -0.259 -36.193 1.00 79.74 ? 220 TYR A CE2 1 ATOM 1306 C CZ . TYR A 1 193 ? -49.567 0.464 -35.234 1.00 78.31 ? 220 TYR A CZ 1 ATOM 1307 O OH . TYR A 1 193 ? -49.030 -0.210 -34.162 1.00 78.28 ? 220 TYR A OH 1 ATOM 1308 N N . GLN A 1 194 ? -51.708 2.679 -41.905 1.00 81.86 ? 221 GLN A N 1 ATOM 1309 C CA . GLN A 1 194 ? -52.809 3.134 -42.758 1.00 83.43 ? 221 GLN A CA 1 ATOM 1310 C C . GLN A 1 194 ? -54.116 2.667 -42.128 1.00 83.45 ? 221 GLN A C 1 ATOM 1311 O O . GLN A 1 194 ? -54.140 1.665 -41.412 1.00 82.98 ? 221 GLN A O 1 ATOM 1312 C CB . GLN A 1 194 ? -52.712 2.569 -44.169 1.00 86.55 ? 221 GLN A CB 1 ATOM 1313 C CG . GLN A 1 194 ? -51.888 3.387 -45.148 1.00 87.91 ? 221 GLN A CG 1 ATOM 1314 C CD . GLN A 1 194 ? -51.951 2.808 -46.557 1.00 90.88 ? 221 GLN A CD 1 ATOM 1315 O OE1 . GLN A 1 194 ? -52.573 1.767 -46.790 1.00 91.50 ? 221 GLN A OE1 1 ATOM 1316 N NE2 . GLN A 1 194 ? -51.310 3.481 -47.505 1.00 92.99 ? 221 GLN A NE2 1 ATOM 1317 N N . ALA A 1 195 ? -55.200 3.383 -42.415 1.00 83.65 ? 222 ALA A N 1 ATOM 1318 C CA . ALA A 1 195 ? -56.512 3.049 -41.872 1.00 85.02 ? 222 ALA A CA 1 ATOM 1319 C C . ALA A 1 195 ? -57.637 3.417 -42.831 1.00 87.22 ? 222 ALA A C 1 ATOM 1320 O O . ALA A 1 195 ? -57.611 4.484 -43.446 1.00 87.31 ? 222 ALA A O 1 ATOM 1321 C CB . ALA A 1 195 ? -56.715 3.760 -40.551 1.00 84.72 ? 222 ALA A CB 1 ATOM 1322 N N . THR A 1 196 ? -58.617 2.524 -42.957 1.00 88.68 ? 223 THR A N 1 ATOM 1323 C CA . THR A 1 196 ? -59.863 2.827 -43.656 1.00 90.61 ? 223 THR A CA 1 ATOM 1324 C C . THR A 1 196 ? -61.029 2.602 -42.700 1.00 91.72 ? 223 THR A C 1 ATOM 1325 O O . THR A 1 196 ? -60.952 1.749 -41.811 1.00 90.68 ? 223 THR A O 1 ATOM 1326 C CB . THR A 1 196 ? -60.032 1.961 -44.911 1.00 92.27 ? 223 THR A CB 1 ATOM 1327 O OG1 . THR A 1 196 ? -60.040 0.577 -44.545 1.00 94.18 ? 223 THR A OG1 1 ATOM 1328 C CG2 . THR A 1 196 ? -58.901 2.213 -45.883 1.00 91.42 ? 223 THR A CG2 1 ATOM 1329 N N . GLY A 1 197 ? -62.097 3.378 -42.883 1.00 93.64 ? 224 GLY A N 1 ATOM 1330 C CA . GLY A 1 197 ? -63.286 3.286 -42.041 1.00 95.72 ? 224 GLY A CA 1 ATOM 1331 C C . GLY A 1 197 ? -62.973 3.505 -40.575 1.00 95.56 ? 224 GLY A C 1 ATOM 1332 O O . GLY A 1 197 ? -63.399 2.728 -39.722 1.00 97.69 ? 224 GLY A O 1 ATOM 1333 N N . PHE A 1 198 ? -62.214 4.565 -40.295 1.00 94.76 ? 225 PHE A N 1 ATOM 1334 C CA . PHE A 1 198 ? -61.754 4.889 -38.942 1.00 92.06 ? 225 PHE A CA 1 ATOM 1335 C C . PHE A 1 198 ? -62.935 5.253 -38.056 1.00 95.23 ? 225 PHE A C 1 ATOM 1336 O O . PHE A 1 198 ? -63.785 6.050 -38.453 1.00 96.29 ? 225 PHE A O 1 ATOM 1337 C CB . PHE A 1 198 ? -60.749 6.051 -38.982 1.00 87.94 ? 225 PHE A CB 1 ATOM 1338 C CG . PHE A 1 198 ? -60.210 6.437 -37.634 1.00 84.78 ? 225 PHE A CG 1 ATOM 1339 C CD1 . PHE A 1 198 ? -60.788 7.483 -36.905 1.00 83.54 ? 225 PHE A CD1 1 ATOM 1340 C CD2 . PHE A 1 198 ? -59.131 5.757 -37.085 1.00 82.77 ? 225 PHE A CD2 1 ATOM 1341 C CE1 . PHE A 1 198 ? -60.301 7.832 -35.659 1.00 80.66 ? 225 PHE A CE1 1 ATOM 1342 C CE2 . PHE A 1 198 ? -58.633 6.109 -35.839 1.00 80.80 ? 225 PHE A CE2 1 ATOM 1343 C CZ . PHE A 1 198 ? -59.220 7.147 -35.125 1.00 79.83 ? 225 PHE A CZ 1 ATOM 1344 N N . GLY A 1 199 ? -62.975 4.671 -36.859 1.00 98.33 ? 226 GLY A N 1 ATOM 1345 C CA . GLY A 1 199 ? -64.032 4.957 -35.890 1.00 102.53 ? 226 GLY A CA 1 ATOM 1346 C C . GLY A 1 199 ? -65.402 4.435 -36.287 1.00 108.18 ? 226 GLY A C 1 ATOM 1347 O O . GLY A 1 199 ? -66.411 5.109 -36.070 1.00 109.07 ? 226 GLY A O 1 ATOM 1348 N N . THR A 1 200 ? -65.430 3.242 -36.881 1.00 113.23 ? 227 THR A N 1 ATOM 1349 C CA . THR A 1 200 ? -66.672 2.547 -37.225 1.00 120.31 ? 227 THR A CA 1 ATOM 1350 C C . THR A 1 200 ? -66.531 1.066 -36.873 1.00 127.76 ? 227 THR A C 1 ATOM 1351 O O . THR A 1 200 ? -65.466 0.621 -36.446 1.00 126.83 ? 227 THR A O 1 ATOM 1352 C CB . THR A 1 200 ? -67.021 2.696 -38.724 1.00 120.33 ? 227 THR A CB 1 ATOM 1353 O OG1 . THR A 1 200 ? -66.009 2.075 -39.526 1.00 118.09 ? 227 THR A OG1 1 ATOM 1354 C CG2 . THR A 1 200 ? -67.148 4.157 -39.114 1.00 118.80 ? 227 THR A CG2 1 ATOM 1355 N N . ASN A 1 201 ? -67.618 0.319 -37.038 1.00 139.43 ? 228 ASN A N 1 ATOM 1356 C CA . ASN A 1 201 ? -67.631 -1.129 -36.772 1.00 147.79 ? 228 ASN A CA 1 ATOM 1357 C C . ASN A 1 201 ? -66.680 -1.970 -37.651 1.00 146.20 ? 228 ASN A C 1 ATOM 1358 O O . ASN A 1 201 ? -66.149 -2.974 -37.173 1.00 148.10 ? 228 ASN A O 1 ATOM 1359 C CB . ASN A 1 201 ? -69.064 -1.686 -36.854 1.00 159.93 ? 228 ASN A CB 1 ATOM 1360 C CG . ASN A 1 201 ? -69.753 -1.382 -38.186 1.00 171.91 ? 228 ASN A CG 1 ATOM 1361 O OD1 . ASN A 1 201 ? -69.191 -0.686 -39.033 1.00 172.01 ? 228 ASN A OD1 1 ATOM 1362 N ND2 . ASN A 1 201 ? -70.975 -1.890 -38.378 1.00 187.35 ? 228 ASN A ND2 1 ATOM 1363 N N . GLU A 1 202 ? -66.479 -1.574 -38.914 1.00 143.20 ? 229 GLU A N 1 ATOM 1364 C CA . GLU A 1 202 ? -65.554 -2.268 -39.837 1.00 139.76 ? 229 GLU A CA 1 ATOM 1365 C C . GLU A 1 202 ? -64.326 -1.405 -40.194 1.00 131.43 ? 229 GLU A C 1 ATOM 1366 O O . GLU A 1 202 ? -64.205 -0.908 -41.317 1.00 131.00 ? 229 GLU A O 1 ATOM 1367 C CB . GLU A 1 202 ? -66.287 -2.727 -41.115 1.00 145.48 ? 229 GLU A CB 1 ATOM 1368 C CG . GLU A 1 202 ? -67.135 -3.992 -40.965 1.00 151.37 ? 229 GLU A CG 1 ATOM 1369 C CD . GLU A 1 202 ? -68.635 -3.736 -41.031 1.00 156.42 ? 229 GLU A CD 1 ATOM 1370 O OE1 . GLU A 1 202 ? -69.337 -4.023 -40.037 1.00 159.45 ? 229 GLU A OE1 1 ATOM 1371 O OE2 . GLU A 1 202 ? -69.114 -3.254 -42.081 1.00 157.99 ? 229 GLU A OE2 1 ATOM 1372 N N . THR A 1 203 ? -63.420 -1.247 -39.229 1.00 123.57 ? 230 THR A N 1 ATOM 1373 C CA . THR A 1 203 ? -62.160 -0.521 -39.425 1.00 117.38 ? 230 THR A CA 1 ATOM 1374 C C . THR A 1 203 ? -61.053 -1.502 -39.810 1.00 113.94 ? 230 THR A C 1 ATOM 1375 O O . THR A 1 203 ? -60.810 -2.468 -39.088 1.00 114.74 ? 230 THR A O 1 ATOM 1376 C CB . THR A 1 203 ? -61.720 0.226 -38.142 1.00 115.23 ? 230 THR A CB 1 ATOM 1377 O OG1 . THR A 1 203 ? -62.835 0.908 -37.557 1.00 117.13 ? 230 THR A OG1 1 ATOM 1378 C CG2 . THR A 1 203 ? -60.636 1.246 -38.448 1.00 112.40 ? 230 THR A CG2 1 ATOM 1379 N N . GLU A 1 204 ? -60.385 -1.245 -40.934 1.00 110.14 ? 231 GLU A N 1 ATOM 1380 C CA . GLU A 1 204 ? -59.265 -2.068 -41.400 1.00 107.01 ? 231 GLU A CA 1 ATOM 1381 C C . GLU A 1 204 ? -57.961 -1.281 -41.226 1.00 99.94 ? 231 GLU A C 1 ATOM 1382 O O . GLU A 1 204 ? -57.846 -0.164 -41.723 1.00 98.18 ? 231 GLU A O 1 ATOM 1383 C CB . GLU A 1 204 ? -59.444 -2.454 -42.874 1.00 110.72 ? 231 GLU A CB 1 ATOM 1384 C CG . GLU A 1 204 ? -60.839 -2.930 -43.278 1.00 115.79 ? 231 GLU A CG 1 ATOM 1385 C CD . GLU A 1 204 ? -61.165 -4.342 -42.811 1.00 119.46 ? 231 GLU A CD 1 ATOM 1386 O OE1 . GLU A 1 204 ? -62.198 -4.528 -42.127 1.00 122.20 ? 231 GLU A OE1 1 ATOM 1387 O OE2 . GLU A 1 204 ? -60.398 -5.273 -43.139 1.00 121.09 ? 231 GLU A OE2 1 ATOM 1388 N N . TYR A 1 205 ? -56.994 -1.871 -40.524 1.00 95.47 ? 232 TYR A N 1 ATOM 1389 C CA . TYR A 1 205 ? -55.679 -1.271 -40.285 1.00 91.61 ? 232 TYR A CA 1 ATOM 1390 C C . TYR A 1 205 ? -54.570 -2.021 -41.024 1.00 91.36 ? 232 TYR A C 1 ATOM 1391 O O . TYR A 1 205 ? -54.663 -3.230 -41.229 1.00 93.25 ? 232 TYR A O 1 ATOM 1392 C CB . TYR A 1 205 ? -55.376 -1.272 -38.788 1.00 90.94 ? 232 TYR A CB 1 ATOM 1393 C CG . TYR A 1 205 ? -56.229 -0.312 -38.006 1.00 90.03 ? 232 TYR A CG 1 ATOM 1394 C CD1 . TYR A 1 205 ? -57.285 -0.763 -37.210 1.00 90.39 ? 232 TYR A CD1 1 ATOM 1395 C CD2 . TYR A 1 205 ? -55.993 1.059 -38.074 1.00 88.94 ? 232 TYR A CD2 1 ATOM 1396 C CE1 . TYR A 1 205 ? -58.075 0.129 -36.499 1.00 90.44 ? 232 TYR A CE1 1 ATOM 1397 C CE2 . TYR A 1 205 ? -56.777 1.957 -37.372 1.00 88.65 ? 232 TYR A CE2 1 ATOM 1398 C CZ . TYR A 1 205 ? -57.817 1.491 -36.587 1.00 89.86 ? 232 TYR A CZ 1 ATOM 1399 O OH . TYR A 1 205 ? -58.588 2.401 -35.895 1.00 91.71 ? 232 TYR A OH 1 ATOM 1400 N N . LEU A 1 206 ? -53.526 -1.292 -41.417 1.00 89.96 ? 233 LEU A N 1 ATOM 1401 C CA . LEU A 1 206 ? -52.340 -1.864 -42.070 1.00 89.66 ? 233 LEU A CA 1 ATOM 1402 C C . LEU A 1 206 ? -51.073 -1.276 -41.462 1.00 88.29 ? 233 LEU A C 1 ATOM 1403 O O . LEU A 1 206 ? -50.899 -0.058 -41.477 1.00 88.40 ? 233 LEU A O 1 ATOM 1404 C CB . LEU A 1 206 ? -52.336 -1.536 -43.565 1.00 90.08 ? 233 LEU A CB 1 ATOM 1405 C CG . LEU A 1 206 ? -53.430 -2.121 -44.456 1.00 91.85 ? 233 LEU A CG 1 ATOM 1406 C CD1 . LEU A 1 206 ? -53.303 -1.548 -45.859 1.00 91.96 ? 233 LEU A CD1 1 ATOM 1407 C CD2 . LEU A 1 206 ? -53.373 -3.643 -44.479 1.00 93.35 ? 233 LEU A CD2 1 ATOM 1408 N N . PHE A 1 207 ? -50.190 -2.126 -40.939 1.00 87.73 ? 234 PHE A N 1 ATOM 1409 C CA . PHE A 1 207 ? -48.870 -1.678 -40.463 1.00 87.32 ? 234 PHE A CA 1 ATOM 1410 C C . PHE A 1 207 ? -47.948 -1.403 -41.655 1.00 88.70 ? 234 PHE A C 1 ATOM 1411 O O . PHE A 1 207 ? -47.888 -2.210 -42.579 1.00 89.85 ? 234 PHE A O 1 ATOM 1412 C CB . PHE A 1 207 ? -48.256 -2.723 -39.531 1.00 87.79 ? 234 PHE A CB 1 ATOM 1413 C CG . PHE A 1 207 ? -46.800 -2.506 -39.237 1.00 87.48 ? 234 PHE A CG 1 ATOM 1414 C CD1 . PHE A 1 207 ? -46.359 -1.312 -38.685 1.00 85.75 ? 234 PHE A CD1 1 ATOM 1415 C CD2 . PHE A 1 207 ? -45.866 -3.508 -39.499 1.00 89.52 ? 234 PHE A CD2 1 ATOM 1416 C CE1 . PHE A 1 207 ? -45.016 -1.114 -38.406 1.00 86.59 ? 234 PHE A CE1 1 ATOM 1417 C CE2 . PHE A 1 207 ? -44.521 -3.314 -39.221 1.00 90.06 ? 234 PHE A CE2 1 ATOM 1418 C CZ . PHE A 1 207 ? -44.095 -2.115 -38.671 1.00 88.40 ? 234 PHE A CZ 1 ATOM 1419 N N . GLU A 1 208 ? -47.233 -0.274 -41.621 1.00 89.07 ? 235 GLU A N 1 ATOM 1420 C CA . GLU A 1 208 ? -46.378 0.175 -42.737 1.00 90.61 ? 235 GLU A CA 1 ATOM 1421 C C . GLU A 1 208 ? -44.912 -0.244 -42.564 1.00 92.59 ? 235 GLU A C 1 ATOM 1422 O O . GLU A 1 208 ? -44.273 0.126 -41.580 1.00 92.45 ? 235 GLU A O 1 ATOM 1423 C CB . GLU A 1 208 ? -46.459 1.695 -42.867 1.00 90.08 ? 235 GLU A CB 1 ATOM 1424 C CG . GLU A 1 208 ? -45.628 2.304 -43.988 1.00 92.58 ? 235 GLU A CG 1 ATOM 1425 C CD . GLU A 1 208 ? -45.895 3.789 -44.173 1.00 93.07 ? 235 GLU A CD 1 ATOM 1426 O OE1 . GLU A 1 208 ? -46.802 4.141 -44.960 1.00 94.67 ? 235 GLU A OE1 1 ATOM 1427 O OE2 . GLU A 1 208 ? -45.196 4.607 -43.535 1.00 92.89 ? 235 GLU A OE2 1 ATOM 1428 N N . VAL A 1 209 ? -44.394 -1.003 -43.531 1.00 94.95 ? 236 VAL A N 1 ATOM 1429 C CA . VAL A 1 209 ? -42.977 -1.370 -43.587 1.00 97.20 ? 236 VAL A CA 1 ATOM 1430 C C . VAL A 1 209 ? -42.226 -0.308 -44.398 1.00 97.95 ? 236 VAL A C 1 ATOM 1431 O O . VAL A 1 209 ? -41.214 0.228 -43.950 1.00 97.61 ? 236 VAL A O 1 ATOM 1432 C CB . VAL A 1 209 ? -42.790 -2.769 -44.215 1.00 99.78 ? 236 VAL A CB 1 ATOM 1433 C CG1 . VAL A 1 209 ? -41.313 -3.118 -44.347 1.00 102.34 ? 236 VAL A CG1 1 ATOM 1434 C CG2 . VAL A 1 209 ? -43.528 -3.827 -43.399 1.00 99.73 ? 236 VAL A CG2 1 ATOM 1435 N N . ASP A 1 210 ? -42.720 -0.046 -45.606 1.00 99.75 ? 237 ASP A N 1 ATOM 1436 C CA . ASP A 1 210 ? -42.347 1.135 -46.408 1.00 101.82 ? 237 ASP A CA 1 ATOM 1437 C C . ASP A 1 210 ? -43.592 1.603 -47.168 1.00 103.92 ? 237 ASP A C 1 ATOM 1438 O O . ASP A 1 210 ? -44.667 1.025 -46.993 1.00 103.57 ? 237 ASP A O 1 ATOM 1439 C CB . ASP A 1 210 ? -41.138 0.864 -47.340 1.00 103.32 ? 237 ASP A CB 1 ATOM 1440 C CG . ASP A 1 210 ? -41.373 -0.267 -48.352 1.00 104.02 ? 237 ASP A CG 1 ATOM 1441 O OD1 . ASP A 1 210 ? -42.496 -0.439 -48.868 1.00 103.03 ? 237 ASP A OD1 1 ATOM 1442 O OD2 . ASP A 1 210 ? -40.396 -0.981 -48.656 1.00 105.05 ? 237 ASP A OD2 1 ATOM 1443 N N . ASN A 1 211 ? -43.463 2.624 -48.011 1.00 108.79 ? 238 ASN A N 1 ATOM 1444 C CA . ASN A 1 211 ? -44.632 3.191 -48.707 1.00 111.47 ? 238 ASN A CA 1 ATOM 1445 C C . ASN A 1 211 ? -45.355 2.239 -49.666 1.00 108.63 ? 238 ASN A C 1 ATOM 1446 O O . ASN A 1 211 ? -46.494 2.513 -50.045 1.00 106.56 ? 238 ASN A O 1 ATOM 1447 C CB . ASN A 1 211 ? -44.261 4.505 -49.420 1.00 117.64 ? 238 ASN A CB 1 ATOM 1448 C CG . ASN A 1 211 ? -44.156 5.681 -48.461 1.00 124.04 ? 238 ASN A CG 1 ATOM 1449 O OD1 . ASN A 1 211 ? -44.660 5.627 -47.337 1.00 124.21 ? 238 ASN A OD1 1 ATOM 1450 N ND2 . ASN A 1 211 ? -43.507 6.757 -48.903 1.00 135.01 ? 238 ASN A ND2 1 ATOM 1451 N N . LEU A 1 212 ? -44.706 1.136 -50.045 1.00 107.82 ? 239 LEU A N 1 ATOM 1452 C CA . LEU A 1 212 ? -45.323 0.098 -50.883 1.00 107.95 ? 239 LEU A CA 1 ATOM 1453 C C . LEU A 1 212 ? -45.481 -1.283 -50.222 1.00 105.75 ? 239 LEU A C 1 ATOM 1454 O O . LEU A 1 212 ? -46.095 -2.163 -50.821 1.00 106.32 ? 239 LEU A O 1 ATOM 1455 C CB . LEU A 1 212 ? -44.517 -0.053 -52.180 1.00 110.52 ? 239 LEU A CB 1 ATOM 1456 C CG . LEU A 1 212 ? -44.315 1.229 -52.994 1.00 111.38 ? 239 LEU A CG 1 ATOM 1457 C CD1 . LEU A 1 212 ? -43.363 0.993 -54.159 1.00 113.71 ? 239 LEU A CD1 1 ATOM 1458 C CD2 . LEU A 1 212 ? -45.651 1.776 -53.483 1.00 111.37 ? 239 LEU A CD2 1 ATOM 1459 N N . THR A 1 213 ? -44.948 -1.474 -49.011 1.00 102.89 ? 240 THR A N 1 ATOM 1460 C CA . THR A 1 213 ? -45.006 -2.765 -48.311 1.00 101.41 ? 240 THR A CA 1 ATOM 1461 C C . THR A 1 213 ? -45.751 -2.620 -46.978 1.00 99.25 ? 240 THR A C 1 ATOM 1462 O O . THR A 1 213 ? -45.377 -1.803 -46.137 1.00 97.98 ? 240 THR A O 1 ATOM 1463 C CB . THR A 1 213 ? -43.593 -3.320 -48.047 1.00 102.26 ? 240 THR A CB 1 ATOM 1464 O OG1 . THR A 1 213 ? -42.807 -3.227 -49.239 1.00 104.04 ? 240 THR A OG1 1 ATOM 1465 C CG2 . THR A 1 213 ? -43.652 -4.780 -47.596 1.00 103.09 ? 240 THR A CG2 1 ATOM 1466 N N . TYR A 1 214 ? -46.794 -3.428 -46.792 1.00 98.91 ? 241 TYR A N 1 ATOM 1467 C CA . TYR A 1 214 ? -47.665 -3.346 -45.618 1.00 97.52 ? 241 TYR A CA 1 ATOM 1468 C C . TYR A 1 214 ? -47.945 -4.713 -45.006 1.00 99.87 ? 241 TYR A C 1 ATOM 1469 O O . TYR A 1 214 ? -47.636 -5.751 -45.595 1.00 101.54 ? 241 TYR A O 1 ATOM 1470 C CB . TYR A 1 214 ? -48.983 -2.672 -45.995 1.00 96.49 ? 241 TYR A CB 1 ATOM 1471 C CG . TYR A 1 214 ? -48.801 -1.220 -46.346 1.00 95.54 ? 241 TYR A CG 1 ATOM 1472 C CD1 . TYR A 1 214 ? -48.461 -0.831 -47.641 1.00 96.60 ? 241 TYR A CD1 1 ATOM 1473 C CD2 . TYR A 1 214 ? -48.945 -0.235 -45.379 1.00 94.06 ? 241 TYR A CD2 1 ATOM 1474 C CE1 . TYR A 1 214 ? -48.280 0.504 -47.963 1.00 96.92 ? 241 TYR A CE1 1 ATOM 1475 C CE2 . TYR A 1 214 ? -48.766 1.103 -45.687 1.00 94.47 ? 241 TYR A CE2 1 ATOM 1476 C CZ . TYR A 1 214 ? -48.434 1.470 -46.978 1.00 95.25 ? 241 TYR A CZ 1 ATOM 1477 O OH . TYR A 1 214 ? -48.255 2.796 -47.270 1.00 94.55 ? 241 TYR A OH 1 ATOM 1478 N N . VAL A 1 215 ? -48.524 -4.688 -43.808 1.00 99.60 ? 242 VAL A N 1 ATOM 1479 C CA . VAL A 1 215 ? -48.922 -5.890 -43.085 1.00 100.77 ? 242 VAL A CA 1 ATOM 1480 C C . VAL A 1 215 ? -50.320 -5.669 -42.525 1.00 100.54 ? 242 VAL A C 1 ATOM 1481 O O . VAL A 1 215 ? -50.575 -4.625 -41.935 1.00 99.03 ? 242 VAL A O 1 ATOM 1482 C CB . VAL A 1 215 ? -47.958 -6.195 -41.918 1.00 101.27 ? 242 VAL A CB 1 ATOM 1483 C CG1 . VAL A 1 215 ? -48.322 -7.518 -41.251 1.00 102.87 ? 242 VAL A CG1 1 ATOM 1484 C CG2 . VAL A 1 215 ? -46.514 -6.219 -42.406 1.00 101.85 ? 242 VAL A CG2 1 ATOM 1485 N N . GLN A 1 216 ? -51.215 -6.643 -42.708 1.00 102.78 ? 243 GLN A N 1 ATOM 1486 C CA . GLN A 1 216 ? -52.566 -6.571 -42.135 1.00 103.08 ? 243 GLN A CA 1 ATOM 1487 C C . GLN A 1 216 ? -52.464 -6.628 -40.626 1.00 101.69 ? 243 GLN A C 1 ATOM 1488 O O . GLN A 1 216 ? -51.860 -7.539 -40.081 1.00 102.05 ? 243 GLN A O 1 ATOM 1489 C CB . GLN A 1 216 ? -53.471 -7.706 -42.627 1.00 106.74 ? 243 GLN A CB 1 ATOM 1490 C CG . GLN A 1 216 ? -54.109 -7.466 -43.985 1.00 108.69 ? 243 GLN A CG 1 ATOM 1491 C CD . GLN A 1 216 ? -55.099 -8.559 -44.356 1.00 113.07 ? 243 GLN A CD 1 ATOM 1492 O OE1 . GLN A 1 216 ? -56.058 -8.815 -43.624 1.00 116.56 ? 243 GLN A OE1 1 ATOM 1493 N NE2 . GLN A 1 216 ? -54.870 -9.212 -45.492 1.00 113.93 ? 243 GLN A NE2 1 ATOM 1494 N N . LEU A 1 217 ? -53.051 -5.643 -39.957 1.00 102.28 ? 244 LEU A N 1 ATOM 1495 C CA . LEU A 1 217 ? -52.913 -5.507 -38.510 1.00 102.12 ? 244 LEU A CA 1 ATOM 1496 C C . LEU A 1 217 ? -53.909 -6.405 -37.782 1.00 104.25 ? 244 LEU A C 1 ATOM 1497 O O . LEU A 1 217 ? -54.950 -6.773 -38.326 1.00 106.88 ? 244 LEU A O 1 ATOM 1498 C CB . LEU A 1 217 ? -53.105 -4.045 -38.096 1.00 99.02 ? 244 LEU A CB 1 ATOM 1499 C CG . LEU A 1 217 ? -52.731 -3.662 -36.660 1.00 98.44 ? 244 LEU A CG 1 ATOM 1500 C CD1 . LEU A 1 217 ? -51.241 -3.858 -36.406 1.00 98.68 ? 244 LEU A CD1 1 ATOM 1501 C CD2 . LEU A 1 217 ? -53.150 -2.228 -36.384 1.00 96.33 ? 244 LEU A CD2 1 ATOM 1502 N N . GLU A 1 218 ? -53.557 -6.770 -36.556 1.00 105.35 ? 245 GLU A N 1 ATOM 1503 C CA . GLU A 1 218 ? -54.448 -7.490 -35.655 1.00 108.08 ? 245 GLU A CA 1 ATOM 1504 C C . GLU A 1 218 ? -54.236 -6.961 -34.241 1.00 106.68 ? 245 GLU A C 1 ATOM 1505 O O . GLU A 1 218 ? -53.207 -6.339 -33.954 1.00 105.73 ? 245 GLU A O 1 ATOM 1506 C CB . GLU A 1 218 ? -54.185 -8.997 -35.724 1.00 111.66 ? 245 GLU A CB 1 ATOM 1507 C CG . GLU A 1 218 ? -54.518 -9.618 -37.076 1.00 113.53 ? 245 GLU A CG 1 ATOM 1508 C CD . GLU A 1 218 ? -54.452 -11.137 -37.077 1.00 118.80 ? 245 GLU A CD 1 ATOM 1509 O OE1 . GLU A 1 218 ? -54.895 -11.766 -36.088 1.00 121.80 ? 245 GLU A OE1 1 ATOM 1510 O OE2 . GLU A 1 218 ? -53.965 -11.711 -38.078 1.00 120.49 ? 245 GLU A OE2 1 ATOM 1511 N N . SER A 1 219 ? -55.215 -7.199 -33.372 1.00 106.96 ? 246 SER A N 1 ATOM 1512 C CA . SER A 1 219 ? -55.166 -6.717 -31.986 1.00 105.72 ? 246 SER A CA 1 ATOM 1513 C C . SER A 1 219 ? -54.052 -7.355 -31.165 1.00 106.14 ? 246 SER A C 1 ATOM 1514 O O . SER A 1 219 ? -53.465 -6.706 -30.300 1.00 105.14 ? 246 SER A O 1 ATOM 1515 C CB . SER A 1 219 ? -56.506 -6.950 -31.286 1.00 108.13 ? 246 SER A CB 1 ATOM 1516 O OG . SER A 1 219 ? -57.507 -6.108 -31.827 1.00 108.17 ? 246 SER A OG 1 ATOM 1517 N N . ARG A 1 220 ? -53.770 -8.623 -31.441 1.00 108.16 ? 247 ARG A N 1 ATOM 1518 C CA . ARG A 1 220 ? -52.752 -9.370 -30.700 1.00 109.93 ? 247 ARG A CA 1 ATOM 1519 C C . ARG A 1 220 ? -51.289 -8.967 -30.966 1.00 106.65 ? 247 ARG A C 1 ATOM 1520 O O . ARG A 1 220 ? -50.414 -9.362 -30.194 1.00 109.33 ? 247 ARG A O 1 ATOM 1521 C CB . ARG A 1 220 ? -52.936 -10.883 -30.909 1.00 114.83 ? 247 ARG A CB 1 ATOM 1522 C CG . ARG A 1 220 ? -52.665 -11.392 -32.319 1.00 116.71 ? 247 ARG A CG 1 ATOM 1523 C CD . ARG A 1 220 ? -53.318 -12.748 -32.549 1.00 121.64 ? 247 ARG A CD 1 ATOM 1524 N NE . ARG A 1 220 ? -53.170 -13.208 -33.932 1.00 123.75 ? 247 ARG A NE 1 ATOM 1525 C CZ . ARG A 1 220 ? -52.064 -13.742 -34.461 1.00 126.32 ? 247 ARG A CZ 1 ATOM 1526 N NH1 . ARG A 1 220 ? -52.062 -14.120 -35.739 1.00 127.57 ? 247 ARG A NH1 1 ATOM 1527 N NH2 . ARG A 1 220 ? -50.955 -13.899 -33.736 1.00 127.95 ? 247 ARG A NH2 1 ATOM 1528 N N . PHE A 1 221 ? -51.012 -8.196 -32.022 1.00 101.82 ? 248 PHE A N 1 ATOM 1529 C CA . PHE A 1 221 ? -49.631 -7.756 -32.301 1.00 99.55 ? 248 PHE A CA 1 ATOM 1530 C C . PHE A 1 221 ? -49.176 -6.646 -31.350 1.00 97.65 ? 248 PHE A C 1 ATOM 1531 O O . PHE A 1 221 ? -49.826 -5.602 -31.250 1.00 96.20 ? 248 PHE A O 1 ATOM 1532 C CB . PHE A 1 221 ? -49.465 -7.246 -33.736 1.00 98.01 ? 248 PHE A CB 1 ATOM 1533 C CG . PHE A 1 221 ? -49.816 -8.241 -34.814 1.00 99.41 ? 248 PHE A CG 1 ATOM 1534 C CD1 . PHE A 1 221 ? -49.810 -9.620 -34.595 1.00 101.79 ? 248 PHE A CD1 1 ATOM 1535 C CD2 . PHE A 1 221 ? -50.115 -7.779 -36.088 1.00 98.44 ? 248 PHE A CD2 1 ATOM 1536 C CE1 . PHE A 1 221 ? -50.131 -10.496 -35.615 1.00 102.75 ? 248 PHE A CE1 1 ATOM 1537 C CE2 . PHE A 1 221 ? -50.432 -8.653 -37.110 1.00 99.02 ? 248 PHE A CE2 1 ATOM 1538 C CZ . PHE A 1 221 ? -50.440 -10.012 -36.873 1.00 101.60 ? 248 PHE A CZ 1 ATOM 1539 N N . THR A 1 222 ? -48.050 -6.877 -30.675 1.00 97.90 ? 249 THR A N 1 ATOM 1540 C CA . THR A 1 222 ? -47.428 -5.891 -29.794 1.00 96.24 ? 249 THR A CA 1 ATOM 1541 C C . THR A 1 222 ? -46.525 -4.971 -30.620 1.00 95.16 ? 249 THR A C 1 ATOM 1542 O O . THR A 1 222 ? -46.172 -5.319 -31.750 1.00 96.02 ? 249 THR A O 1 ATOM 1543 C CB . THR A 1 222 ? -46.560 -6.578 -28.727 1.00 98.46 ? 249 THR A CB 1 ATOM 1544 O OG1 . THR A 1 222 ? -45.576 -7.403 -29.365 1.00 100.11 ? 249 THR A OG1 1 ATOM 1545 C CG2 . THR A 1 222 ? -47.411 -7.437 -27.813 1.00 100.08 ? 249 THR A CG2 1 ATOM 1546 N N . PRO A 1 223 ? -46.142 -3.800 -30.067 1.00 93.08 ? 250 PRO A N 1 ATOM 1547 C CA . PRO A 1 223 ? -45.135 -2.948 -30.704 1.00 92.39 ? 250 PRO A CA 1 ATOM 1548 C C . PRO A 1 223 ? -43.824 -3.667 -31.051 1.00 96.17 ? 250 PRO A C 1 ATOM 1549 O O . PRO A 1 223 ? -43.324 -3.505 -32.163 1.00 97.25 ? 250 PRO A O 1 ATOM 1550 C CB . PRO A 1 223 ? -44.880 -1.868 -29.654 1.00 91.49 ? 250 PRO A CB 1 ATOM 1551 C CG . PRO A 1 223 ? -46.161 -1.763 -28.914 1.00 90.22 ? 250 PRO A CG 1 ATOM 1552 C CD . PRO A 1 223 ? -46.762 -3.135 -28.908 1.00 91.95 ? 250 PRO A CD 1 ATOM 1553 N N . GLN A 1 224 ? -43.304 -4.476 -30.123 1.00 99.73 ? 251 GLN A N 1 ATOM 1554 C CA . GLN A 1 224 ? -42.005 -5.151 -30.297 1.00 102.07 ? 251 GLN A CA 1 ATOM 1555 C C . GLN A 1 224 ? -42.077 -6.210 -31.390 1.00 101.98 ? 251 GLN A C 1 ATOM 1556 O O . GLN A 1 224 ? -41.090 -6.454 -32.085 1.00 103.93 ? 251 GLN A O 1 ATOM 1557 C CB . GLN A 1 224 ? -41.515 -5.809 -28.993 1.00 106.58 ? 251 GLN A CB 1 ATOM 1558 C CG . GLN A 1 224 ? -41.187 -4.853 -27.841 1.00 108.08 ? 251 GLN A CG 1 ATOM 1559 C CD . GLN A 1 224 ? -42.409 -4.371 -27.055 1.00 108.00 ? 251 GLN A CD 1 ATOM 1560 O OE1 . GLN A 1 224 ? -43.527 -4.852 -27.257 1.00 108.13 ? 251 GLN A OE1 1 ATOM 1561 N NE2 . GLN A 1 224 ? -42.199 -3.401 -26.164 1.00 108.42 ? 251 GLN A NE2 1 ATOM 1562 N N . PHE A 1 225 ? -43.238 -6.847 -31.526 1.00 99.89 ? 252 PHE A N 1 ATOM 1563 C CA . PHE A 1 225 ? -43.463 -7.804 -32.605 1.00 99.90 ? 252 PHE A CA 1 ATOM 1564 C C . PHE A 1 225 ? -43.466 -7.117 -33.963 1.00 97.99 ? 252 PHE A C 1 ATOM 1565 O O . PHE A 1 225 ? -42.943 -7.667 -34.929 1.00 99.75 ? 252 PHE A O 1 ATOM 1566 C CB . PHE A 1 225 ? -44.780 -8.559 -32.412 1.00 99.77 ? 252 PHE A CB 1 ATOM 1567 C CG . PHE A 1 225 ? -45.126 -9.465 -33.561 1.00 100.13 ? 252 PHE A CG 1 ATOM 1568 C CD1 . PHE A 1 225 ? -44.453 -10.671 -33.737 1.00 103.02 ? 252 PHE A CD1 1 ATOM 1569 C CD2 . PHE A 1 225 ? -46.109 -9.105 -34.478 1.00 97.94 ? 252 PHE A CD2 1 ATOM 1570 C CE1 . PHE A 1 225 ? -44.762 -11.506 -34.799 1.00 103.87 ? 252 PHE A CE1 1 ATOM 1571 C CE2 . PHE A 1 225 ? -46.424 -9.934 -35.541 1.00 99.14 ? 252 PHE A CE2 1 ATOM 1572 C CZ . PHE A 1 225 ? -45.749 -11.136 -35.703 1.00 102.20 ? 252 PHE A CZ 1 ATOM 1573 N N . LEU A 1 226 ? -44.069 -5.931 -34.035 1.00 95.23 ? 253 LEU A N 1 ATOM 1574 C CA . LEU A 1 226 ? -44.117 -5.164 -35.279 1.00 93.02 ? 253 LEU A CA 1 ATOM 1575 C C . LEU A 1 226 ? -42.720 -4.706 -35.707 1.00 93.32 ? 253 LEU A C 1 ATOM 1576 O O . LEU A 1 226 ? -42.392 -4.770 -36.889 1.00 93.10 ? 253 LEU A O 1 ATOM 1577 C CB . LEU A 1 226 ? -45.073 -3.965 -35.155 1.00 89.95 ? 253 LEU A CB 1 ATOM 1578 C CG . LEU A 1 226 ? -46.563 -4.278 -34.968 1.00 88.91 ? 253 LEU A CG 1 ATOM 1579 C CD1 . LEU A 1 226 ? -47.333 -3.015 -34.620 1.00 86.53 ? 253 LEU A CD1 1 ATOM 1580 C CD2 . LEU A 1 226 ? -47.164 -4.928 -36.204 1.00 89.26 ? 253 LEU A CD2 1 ATOM 1581 N N . LEU A 1 227 ? -41.905 -4.265 -34.749 1.00 94.29 ? 254 LEU A N 1 ATOM 1582 C CA . LEU A 1 227 ? -40.523 -3.863 -35.030 1.00 96.76 ? 254 LEU A CA 1 ATOM 1583 C C . LEU A 1 227 ? -39.619 -5.049 -35.405 1.00 101.84 ? 254 LEU A C 1 ATOM 1584 O O . LEU A 1 227 ? -38.689 -4.884 -36.196 1.00 103.42 ? 254 LEU A O 1 ATOM 1585 C CB . LEU A 1 227 ? -39.920 -3.095 -33.845 1.00 96.61 ? 254 LEU A CB 1 ATOM 1586 C CG . LEU A 1 227 ? -40.593 -1.779 -33.442 1.00 94.20 ? 254 LEU A CG 1 ATOM 1587 C CD1 . LEU A 1 227 ? -39.837 -1.132 -32.289 1.00 94.64 ? 254 LEU A CD1 1 ATOM 1588 C CD2 . LEU A 1 227 ? -40.705 -0.820 -34.618 1.00 92.70 ? 254 LEU A CD2 1 ATOM 1589 N N . GLN A 1 228 ? -39.887 -6.228 -34.841 1.00 105.14 ? 255 GLN A N 1 ATOM 1590 C CA . GLN A 1 228 ? -39.196 -7.461 -35.253 1.00 109.54 ? 255 GLN A CA 1 ATOM 1591 C C . GLN A 1 228 ? -39.666 -7.962 -36.620 1.00 109.17 ? 255 GLN A C 1 ATOM 1592 O O . GLN A 1 228 ? -38.852 -8.391 -37.438 1.00 111.68 ? 255 GLN A O 1 ATOM 1593 C CB . GLN A 1 228 ? -39.356 -8.566 -34.202 1.00 113.27 ? 255 GLN A CB 1 ATOM 1594 C CG . GLN A 1 228 ? -38.505 -8.336 -32.964 1.00 116.46 ? 255 GLN A CG 1 ATOM 1595 C CD . GLN A 1 228 ? -38.674 -9.422 -31.921 1.00 120.19 ? 255 GLN A CD 1 ATOM 1596 O OE1 . GLN A 1 228 ? -38.310 -10.577 -32.146 1.00 123.86 ? 255 GLN A OE1 1 ATOM 1597 N NE2 . GLN A 1 228 ? -39.213 -9.052 -30.764 1.00 120.48 ? 255 GLN A NE2 1 ATOM 1598 N N . LEU A 1 229 ? -40.973 -7.920 -36.857 1.00 107.40 ? 256 LEU A N 1 ATOM 1599 C CA . LEU A 1 229 ? -41.546 -8.310 -38.149 1.00 108.17 ? 256 LEU A CA 1 ATOM 1600 C C . LEU A 1 229 ? -41.018 -7.421 -39.275 1.00 108.50 ? 256 LEU A C 1 ATOM 1601 O O . LEU A 1 229 ? -40.648 -7.919 -40.338 1.00 110.17 ? 256 LEU A O 1 ATOM 1602 C CB . LEU A 1 229 ? -43.073 -8.236 -38.093 1.00 106.99 ? 256 LEU A CB 1 ATOM 1603 C CG . LEU A 1 229 ? -43.880 -8.733 -39.288 1.00 107.31 ? 256 LEU A CG 1 ATOM 1604 C CD1 . LEU A 1 229 ? -43.664 -10.220 -39.503 1.00 110.85 ? 256 LEU A CD1 1 ATOM 1605 C CD2 . LEU A 1 229 ? -45.351 -8.441 -39.063 1.00 106.31 ? 256 LEU A CD2 1 ATOM 1606 N N . ASN A 1 230 ? -40.987 -6.112 -39.024 1.00 107.97 ? 257 ASN A N 1 ATOM 1607 C CA . ASN A 1 230 ? -40.366 -5.127 -39.921 1.00 108.81 ? 257 ASN A CA 1 ATOM 1608 C C . ASN A 1 230 ? -38.900 -5.471 -40.240 1.00 110.65 ? 257 ASN A C 1 ATOM 1609 O O . ASN A 1 230 ? -38.522 -5.582 -41.409 1.00 109.91 ? 257 ASN A O 1 ATOM 1610 C CB . ASN A 1 230 ? -40.456 -3.733 -39.281 1.00 108.27 ? 257 ASN A CB 1 ATOM 1611 C CG . ASN A 1 230 ? -39.801 -2.657 -40.119 1.00 110.55 ? 257 ASN A CG 1 ATOM 1612 O OD1 . ASN A 1 230 ? -40.318 -2.286 -41.167 1.00 107.08 ? 257 ASN A OD1 1 ATOM 1613 N ND2 . ASN A 1 230 ? -38.662 -2.149 -39.655 1.00 116.96 ? 257 ASN A ND2 1 ATOM 1614 N N . GLU A 1 231 ? -38.105 -5.634 -39.181 1.00 112.38 ? 258 GLU A N 1 ATOM 1615 C CA . GLU A 1 231 ? -36.697 -6.073 -39.247 1.00 115.71 ? 258 GLU A CA 1 ATOM 1616 C C . GLU A 1 231 ? -36.526 -7.308 -40.140 1.00 116.77 ? 258 GLU A C 1 ATOM 1617 O O . GLU A 1 231 ? -35.671 -7.326 -41.027 1.00 117.50 ? 258 GLU A O 1 ATOM 1618 C CB . GLU A 1 231 ? -36.174 -6.325 -37.809 1.00 119.16 ? 258 GLU A CB 1 ATOM 1619 C CG . GLU A 1 231 ? -34.997 -7.289 -37.609 1.00 125.17 ? 258 GLU A CG 1 ATOM 1620 C CD . GLU A 1 231 ? -33.637 -6.665 -37.873 1.00 128.12 ? 258 GLU A CD 1 ATOM 1621 O OE1 . GLU A 1 231 ? -32.912 -7.170 -38.758 1.00 131.64 ? 258 GLU A OE1 1 ATOM 1622 O OE2 . GLU A 1 231 ? -33.285 -5.682 -37.184 1.00 127.64 ? 258 GLU A OE2 1 ATOM 1623 N N . THR A 1 232 ? -37.354 -8.322 -39.897 1.00 116.27 ? 259 THR A N 1 ATOM 1624 C CA . THR A 1 232 ? -37.328 -9.580 -40.657 1.00 117.01 ? 259 THR A CA 1 ATOM 1625 C C . THR A 1 232 ? -37.702 -9.384 -42.131 1.00 115.67 ? 259 THR A C 1 ATOM 1626 O O . THR A 1 232 ? -37.155 -10.061 -42.996 1.00 117.41 ? 259 THR A O 1 ATOM 1627 C CB . THR A 1 232 ? -38.262 -10.635 -40.013 1.00 116.68 ? 259 THR A CB 1 ATOM 1628 O OG1 . THR A 1 232 ? -37.889 -10.830 -38.644 1.00 117.47 ? 259 THR A OG1 1 ATOM 1629 C CG2 . THR A 1 232 ? -38.190 -11.969 -40.734 1.00 119.02 ? 259 THR A CG2 1 ATOM 1630 N N . ILE A 1 233 ? -38.626 -8.465 -42.408 1.00 113.13 ? 260 ILE A N 1 ATOM 1631 C CA . ILE A 1 233 ? -39.027 -8.144 -43.788 1.00 112.39 ? 260 ILE A CA 1 ATOM 1632 C C . ILE A 1 233 ? -37.896 -7.456 -44.566 1.00 112.75 ? 260 ILE A C 1 ATOM 1633 O O . ILE A 1 233 ? -37.611 -7.836 -45.706 1.00 112.60 ? 260 ILE A O 1 ATOM 1634 C CB . ILE A 1 233 ? -40.344 -7.317 -43.822 1.00 109.82 ? 260 ILE A CB 1 ATOM 1635 C CG1 . ILE A 1 233 ? -41.526 -8.240 -43.497 1.00 109.80 ? 260 ILE A CG1 1 ATOM 1636 C CG2 . ILE A 1 233 ? -40.578 -6.664 -45.184 1.00 109.12 ? 260 ILE A CG2 1 ATOM 1637 C CD1 . ILE A 1 233 ? -42.803 -7.525 -43.119 1.00 108.24 ? 260 ILE A CD1 1 ATOM 1638 N N . TYR A 1 234 ? -37.267 -6.452 -43.955 1.00 112.17 ? 261 TYR A N 1 ATOM 1639 C CA . TYR A 1 234 ? -36.163 -5.727 -44.603 1.00 113.58 ? 261 TYR A CA 1 ATOM 1640 C C . TYR A 1 234 ? -34.944 -6.616 -44.880 1.00 118.15 ? 261 TYR A C 1 ATOM 1641 O O . TYR A 1 234 ? -34.414 -6.608 -45.994 1.00 120.61 ? 261 TYR A O 1 ATOM 1642 C CB . TYR A 1 234 ? -35.731 -4.514 -43.779 1.00 111.58 ? 261 TYR A CB 1 ATOM 1643 C CG . TYR A 1 234 ? -36.407 -3.220 -44.158 1.00 108.48 ? 261 TYR A CG 1 ATOM 1644 C CD1 . TYR A 1 234 ? -37.600 -2.827 -43.553 1.00 106.37 ? 261 TYR A CD1 1 ATOM 1645 C CD2 . TYR A 1 234 ? -35.835 -2.362 -45.096 1.00 108.74 ? 261 TYR A CD2 1 ATOM 1646 C CE1 . TYR A 1 234 ? -38.213 -1.622 -43.888 1.00 104.04 ? 261 TYR A CE1 1 ATOM 1647 C CE2 . TYR A 1 234 ? -36.438 -1.157 -45.436 1.00 106.62 ? 261 TYR A CE2 1 ATOM 1648 C CZ . TYR A 1 234 ? -37.627 -0.791 -44.826 1.00 103.90 ? 261 TYR A CZ 1 ATOM 1649 O OH . TYR A 1 234 ? -38.237 0.394 -45.148 1.00 101.50 ? 261 TYR A OH 1 ATOM 1650 N N . THR A 1 235 ? -34.514 -7.375 -43.872 1.00 120.66 ? 262 THR A N 1 ATOM 1651 C CA . THR A 1 235 ? -33.326 -8.236 -43.991 1.00 124.70 ? 262 THR A CA 1 ATOM 1652 C C . THR A 1 235 ? -33.543 -9.462 -44.885 1.00 126.18 ? 262 THR A C 1 ATOM 1653 O O . THR A 1 235 ? -32.663 -9.808 -45.671 1.00 128.69 ? 262 THR A O 1 ATOM 1654 C CB . THR A 1 235 ? -32.822 -8.704 -42.611 1.00 126.38 ? 262 THR A CB 1 ATOM 1655 O OG1 . THR A 1 235 ? -33.893 -9.327 -41.894 1.00 125.23 ? 262 THR A OG1 1 ATOM 1656 C CG2 . THR A 1 235 ? -32.281 -7.521 -41.807 1.00 125.33 ? 262 THR A CG2 1 ATOM 1657 N N . SER A 1 236 ? -34.704 -10.109 -44.770 1.00 125.45 ? 263 SER A N 1 ATOM 1658 C CA . SER A 1 236 ? -35.053 -11.245 -45.644 1.00 127.58 ? 263 SER A CA 1 ATOM 1659 C C . SER A 1 236 ? -35.358 -10.842 -47.096 1.00 127.04 ? 263 SER A C 1 ATOM 1660 O O . SER A 1 236 ? -35.402 -11.704 -47.975 1.00 128.94 ? 263 SER A O 1 ATOM 1661 C CB . SER A 1 236 ? -36.245 -12.034 -45.083 1.00 127.05 ? 263 SER A CB 1 ATOM 1662 O OG . SER A 1 236 ? -36.036 -12.409 -43.730 1.00 128.43 ? 263 SER A OG 1 ATOM 1663 N N . GLY A 1 237 ? -35.588 -9.550 -47.339 1.00 126.33 ? 264 GLY A N 1 ATOM 1664 C CA . GLY A 1 237 ? -35.815 -9.030 -48.686 1.00 127.06 ? 264 GLY A CA 1 ATOM 1665 C C . GLY A 1 237 ? -37.219 -9.317 -49.184 1.00 126.24 ? 264 GLY A C 1 ATOM 1666 O O . GLY A 1 237 ? -37.395 -9.809 -50.301 1.00 128.74 ? 264 GLY A O 1 ATOM 1667 N N . LYS A 1 238 ? -38.215 -9.002 -48.355 1.00 123.84 ? 265 LYS A N 1 ATOM 1668 C CA . LYS A 1 238 ? -39.626 -9.254 -48.673 1.00 121.62 ? 265 LYS A CA 1 ATOM 1669 C C . LYS A 1 238 ? -40.406 -7.954 -48.902 1.00 117.91 ? 265 LYS A C 1 ATOM 1670 O O . LYS A 1 238 ? -41.623 -7.910 -48.707 1.00 115.02 ? 265 LYS A O 1 ATOM 1671 C CB . LYS A 1 238 ? -40.277 -10.088 -47.559 1.00 121.46 ? 265 LYS A CB 1 ATOM 1672 C CG . LYS A 1 238 ? -39.506 -11.343 -47.165 1.00 124.75 ? 265 LYS A CG 1 ATOM 1673 C CD . LYS A 1 238 ? -39.233 -12.260 -48.352 1.00 127.33 ? 265 LYS A CD 1 ATOM 1674 C CE . LYS A 1 238 ? -38.557 -13.554 -47.926 1.00 129.77 ? 265 LYS A CE 1 ATOM 1675 N NZ . LYS A 1 238 ? -38.342 -14.455 -49.089 1.00 131.26 ? 265 LYS A NZ 1 ATOM 1676 N N . ARG A 1 239 ? -39.705 -6.908 -49.338 1.00 117.60 ? 266 ARG A N 1 ATOM 1677 C CA . ARG A 1 239 ? -40.339 -5.635 -49.658 1.00 116.77 ? 266 ARG A CA 1 ATOM 1678 C C . ARG A 1 239 ? -40.876 -5.687 -51.074 1.00 118.03 ? 266 ARG A C 1 ATOM 1679 O O . ARG A 1 239 ? -40.490 -6.557 -51.860 1.00 121.02 ? 266 ARG A O 1 ATOM 1680 C CB . ARG A 1 239 ? -39.341 -4.487 -49.538 1.00 117.02 ? 266 ARG A CB 1 ATOM 1681 C CG . ARG A 1 239 ? -38.752 -4.312 -48.148 1.00 116.67 ? 266 ARG A CG 1 ATOM 1682 C CD . ARG A 1 239 ? -37.548 -3.393 -48.190 1.00 117.93 ? 266 ARG A CD 1 ATOM 1683 N NE . ARG A 1 239 ? -37.907 -2.048 -48.636 1.00 116.94 ? 266 ARG A NE 1 ATOM 1684 C CZ . ARG A 1 239 ? -37.041 -1.086 -48.961 1.00 118.05 ? 266 ARG A CZ 1 ATOM 1685 N NH1 . ARG A 1 239 ? -35.724 -1.291 -48.905 1.00 120.77 ? 266 ARG A NH1 1 ATOM 1686 N NH2 . ARG A 1 239 ? -37.501 0.101 -49.352 1.00 116.79 ? 266 ARG A NH2 1 ATOM 1687 N N . SER A 1 240 ? -41.765 -4.751 -51.390 1.00 117.15 ? 267 SER A N 1 ATOM 1688 C CA . SER A 1 240 ? -42.302 -4.618 -52.741 1.00 119.56 ? 267 SER A CA 1 ATOM 1689 C C . SER A 1 240 ? -41.201 -4.160 -53.694 1.00 124.85 ? 267 SER A C 1 ATOM 1690 O O . SER A 1 240 ? -40.677 -3.053 -53.549 1.00 124.12 ? 267 SER A O 1 ATOM 1691 C CB . SER A 1 240 ? -43.458 -3.614 -52.766 1.00 117.27 ? 267 SER A CB 1 ATOM 1692 O OG . SER A 1 240 ? -43.939 -3.395 -54.082 1.00 117.42 ? 267 SER A OG 1 ATOM 1693 N N . ASN A 1 241 ? -40.860 -5.020 -54.658 1.00 132.04 ? 268 ASN A N 1 ATOM 1694 C CA . ASN A 1 241 ? -39.912 -4.675 -55.740 1.00 137.69 ? 268 ASN A CA 1 ATOM 1695 C C . ASN A 1 241 ? -40.656 -4.475 -57.068 1.00 134.51 ? 268 ASN A C 1 ATOM 1696 O O . ASN A 1 241 ? -40.281 -5.024 -58.101 1.00 137.02 ? 268 ASN A O 1 ATOM 1697 C CB . ASN A 1 241 ? -38.767 -5.702 -55.859 1.00 146.12 ? 268 ASN A CB 1 ATOM 1698 C CG . ASN A 1 241 ? -39.253 -7.138 -55.880 1.00 155.89 ? 268 ASN A CG 1 ATOM 1699 O OD1 . ASN A 1 241 ? -40.365 -7.421 -56.327 1.00 155.12 ? 268 ASN A OD1 1 ATOM 1700 N ND2 . ASN A 1 241 ? -38.415 -8.053 -55.387 1.00 170.90 ? 268 ASN A ND2 1 ATOM 1701 N N . THR A 1 242 ? -41.733 -3.696 -56.999 1.00 129.67 ? 269 THR A N 1 ATOM 1702 C CA . THR A 1 242 ? -42.476 -3.207 -58.158 1.00 127.98 ? 269 THR A CA 1 ATOM 1703 C C . THR A 1 242 ? -43.021 -1.836 -57.762 1.00 125.07 ? 269 THR A C 1 ATOM 1704 O O . THR A 1 242 ? -42.771 -1.370 -56.644 1.00 122.65 ? 269 THR A O 1 ATOM 1705 C CB . THR A 1 242 ? -43.646 -4.146 -58.534 1.00 127.83 ? 269 THR A CB 1 ATOM 1706 O OG1 . THR A 1 242 ? -44.452 -4.407 -57.379 1.00 126.98 ? 269 THR A OG1 1 ATOM 1707 C CG2 . THR A 1 242 ? -43.138 -5.463 -59.086 1.00 129.28 ? 269 THR A CG2 1 ATOM 1708 N N . THR A 1 243 ? -43.758 -1.192 -58.664 1.00 124.71 ? 270 THR A N 1 ATOM 1709 C CA . THR A 1 243 ? -44.484 0.045 -58.336 1.00 122.53 ? 270 THR A CA 1 ATOM 1710 C C . THR A 1 243 ? -45.748 -0.224 -57.496 1.00 119.51 ? 270 THR A C 1 ATOM 1711 O O . THR A 1 243 ? -46.304 0.708 -56.905 1.00 115.43 ? 270 THR A O 1 ATOM 1712 C CB . THR A 1 243 ? -44.905 0.820 -59.610 1.00 124.44 ? 270 THR A CB 1 ATOM 1713 O OG1 . THR A 1 243 ? -43.970 0.576 -60.667 1.00 125.59 ? 270 THR A OG1 1 ATOM 1714 C CG2 . THR A 1 243 ? -44.988 2.333 -59.335 1.00 124.23 ? 270 THR A CG2 1 ATOM 1715 N N . GLY A 1 244 ? -46.198 -1.485 -57.460 1.00 119.23 ? 271 GLY A N 1 ATOM 1716 C CA . GLY A 1 244 ? -47.444 -1.872 -56.799 1.00 117.10 ? 271 GLY A CA 1 ATOM 1717 C C . GLY A 1 244 ? -47.387 -2.035 -55.289 1.00 113.80 ? 271 GLY A C 1 ATOM 1718 O O . GLY A 1 244 ? -46.314 -2.203 -54.700 1.00 111.83 ? 271 GLY A O 1 ATOM 1719 N N . LYS A 1 245 ? -48.574 -2.004 -54.683 1.00 112.04 ? 272 LYS A N 1 ATOM 1720 C CA . LYS A 1 245 ? -48.752 -2.113 -53.238 1.00 109.78 ? 272 LYS A CA 1 ATOM 1721 C C . LYS A 1 245 ? -48.720 -3.593 -52.828 1.00 109.52 ? 272 LYS A C 1 ATOM 1722 O O . LYS A 1 245 ? -49.338 -4.427 -53.486 1.00 111.99 ? 272 LYS A O 1 ATOM 1723 C CB . LYS A 1 245 ? -50.085 -1.465 -52.835 1.00 109.53 ? 272 LYS A CB 1 ATOM 1724 C CG . LYS A 1 245 ? -50.114 -0.914 -51.420 1.00 108.26 ? 272 LYS A CG 1 ATOM 1725 C CD . LYS A 1 245 ? -51.476 -0.325 -51.074 1.00 108.17 ? 272 LYS A CD 1 ATOM 1726 C CE . LYS A 1 245 ? -51.499 0.248 -49.660 1.00 106.21 ? 272 LYS A CE 1 ATOM 1727 N NZ . LYS A 1 245 ? -52.876 0.547 -49.181 1.00 105.38 ? 272 LYS A NZ 1 ATOM 1728 N N . LEU A 1 246 ? -48.001 -3.903 -51.747 1.00 108.07 ? 273 LEU A N 1 ATOM 1729 C CA . LEU A 1 246 ? -47.801 -5.282 -51.273 1.00 108.17 ? 273 LEU A CA 1 ATOM 1730 C C . LEU A 1 246 ? -48.271 -5.417 -49.825 1.00 107.09 ? 273 LEU A C 1 ATOM 1731 O O . LEU A 1 246 ? -47.759 -4.732 -48.944 1.00 105.89 ? 273 LEU A O 1 ATOM 1732 C CB . LEU A 1 246 ? -46.319 -5.653 -51.370 1.00 108.71 ? 273 LEU A CB 1 ATOM 1733 C CG . LEU A 1 246 ? -45.854 -7.013 -50.832 1.00 109.91 ? 273 LEU A CG 1 ATOM 1734 C CD1 . LEU A 1 246 ? -46.625 -8.169 -51.462 1.00 110.95 ? 273 LEU A CD1 1 ATOM 1735 C CD2 . LEU A 1 246 ? -44.355 -7.172 -51.051 1.00 111.00 ? 273 LEU A CD2 1 ATOM 1736 N N . ILE A 1 247 ? -49.223 -6.319 -49.585 1.00 107.81 ? 274 ILE A N 1 ATOM 1737 C CA . ILE A 1 247 ? -49.824 -6.508 -48.265 1.00 107.47 ? 274 ILE A CA 1 ATOM 1738 C C . ILE A 1 247 ? -49.569 -7.941 -47.784 1.00 110.35 ? 274 ILE A C 1 ATOM 1739 O O . ILE A 1 247 ? -50.142 -8.891 -48.321 1.00 111.84 ? 274 ILE A O 1 ATOM 1740 C CB . ILE A 1 247 ? -51.344 -6.209 -48.302 1.00 106.91 ? 274 ILE A CB 1 ATOM 1741 C CG1 . ILE A 1 247 ? -51.589 -4.744 -48.693 1.00 106.59 ? 274 ILE A CG1 1 ATOM 1742 C CG2 . ILE A 1 247 ? -51.991 -6.517 -46.954 1.00 106.18 ? 274 ILE A CG2 1 ATOM 1743 C CD1 . ILE A 1 247 ? -53.040 -4.393 -48.966 1.00 107.19 ? 274 ILE A CD1 1 ATOM 1744 N N . TRP A 1 248 ? -48.707 -8.081 -46.775 1.00 111.89 ? 275 TRP A N 1 ATOM 1745 C CA . TRP A 1 248 ? -48.432 -9.373 -46.137 1.00 114.71 ? 275 TRP A CA 1 ATOM 1746 C C . TRP A 1 248 ? -49.459 -9.662 -45.052 1.00 116.75 ? 275 TRP A C 1 ATOM 1747 O O . TRP A 1 248 ? -49.681 -8.836 -44.175 1.00 114.34 ? 275 TRP A O 1 ATOM 1748 C CB . TRP A 1 248 ? -47.037 -9.389 -45.502 1.00 114.87 ? 275 TRP A CB 1 ATOM 1749 C CG . TRP A 1 248 ? -45.924 -9.316 -46.488 1.00 115.86 ? 275 TRP A CG 1 ATOM 1750 C CD1 . TRP A 1 248 ? -45.156 -8.228 -46.780 1.00 115.27 ? 275 TRP A CD1 1 ATOM 1751 C CD2 . TRP A 1 248 ? -45.445 -10.380 -47.312 1.00 118.11 ? 275 TRP A CD2 1 ATOM 1752 N NE1 . TRP A 1 248 ? -44.227 -8.547 -47.740 1.00 117.46 ? 275 TRP A NE1 1 ATOM 1753 C CE2 . TRP A 1 248 ? -44.383 -9.863 -48.086 1.00 118.65 ? 275 TRP A CE2 1 ATOM 1754 C CE3 . TRP A 1 248 ? -45.812 -11.722 -47.475 1.00 120.48 ? 275 TRP A CE3 1 ATOM 1755 C CZ2 . TRP A 1 248 ? -43.682 -10.640 -49.011 1.00 121.30 ? 275 TRP A CZ2 1 ATOM 1756 C CZ3 . TRP A 1 248 ? -45.115 -12.498 -48.397 1.00 122.73 ? 275 TRP A CZ3 1 ATOM 1757 C CH2 . TRP A 1 248 ? -44.060 -11.952 -49.153 1.00 123.15 ? 275 TRP A CH2 1 ATOM 1758 N N . LYS A 1 249 ? -50.082 -10.836 -45.111 1.00 122.64 ? 276 LYS A N 1 ATOM 1759 C CA . LYS A 1 249 ? -50.926 -11.315 -44.024 1.00 126.14 ? 276 LYS A CA 1 ATOM 1760 C C . LYS A 1 249 ? -50.132 -12.302 -43.178 1.00 127.82 ? 276 LYS A C 1 ATOM 1761 O O . LYS A 1 249 ? -49.274 -13.012 -43.693 1.00 131.19 ? 276 LYS A O 1 ATOM 1762 C CB . LYS A 1 249 ? -52.201 -11.965 -44.562 1.00 130.16 ? 276 LYS A CB 1 ATOM 1763 C CG . LYS A 1 249 ? -53.286 -12.102 -43.506 1.00 134.65 ? 276 LYS A CG 1 ATOM 1764 C CD . LYS A 1 249 ? -54.652 -12.432 -44.091 1.00 139.10 ? 276 LYS A CD 1 ATOM 1765 C CE . LYS A 1 249 ? -55.751 -12.214 -43.056 1.00 141.42 ? 276 LYS A CE 1 ATOM 1766 N NZ . LYS A 1 249 ? -57.111 -12.490 -43.598 1.00 144.47 ? 276 LYS A NZ 1 ATOM 1767 N N . VAL A 1 250 ? -50.405 -12.312 -41.878 1.00 130.03 ? 277 VAL A N 1 ATOM 1768 C CA . VAL A 1 250 ? -49.811 -13.262 -40.941 1.00 134.35 ? 277 VAL A CA 1 ATOM 1769 C C . VAL A 1 250 ? -50.873 -14.316 -40.630 1.00 139.89 ? 277 VAL A C 1 ATOM 1770 O O . VAL A 1 250 ? -52.037 -13.978 -40.400 1.00 138.39 ? 277 VAL A O 1 ATOM 1771 C CB . VAL A 1 250 ? -49.362 -12.560 -39.639 1.00 133.33 ? 277 VAL A CB 1 ATOM 1772 C CG1 . VAL A 1 250 ? -48.638 -13.534 -38.712 1.00 135.69 ? 277 VAL A CG1 1 ATOM 1773 C CG2 . VAL A 1 250 ? -48.470 -11.364 -39.957 1.00 130.47 ? 277 VAL A CG2 1 ATOM 1774 N N . ASN A 1 251 ? -50.474 -15.587 -40.624 1.00 148.26 ? 278 ASN A N 1 ATOM 1775 C CA . ASN A 1 251 ? -51.406 -16.688 -40.360 1.00 154.63 ? 278 ASN A CA 1 ATOM 1776 C C . ASN A 1 251 ? -51.721 -16.746 -38.858 1.00 157.51 ? 278 ASN A C 1 ATOM 1777 O O . ASN A 1 251 ? -50.859 -16.392 -38.044 1.00 155.72 ? 278 ASN A O 1 ATOM 1778 C CB . ASN A 1 251 ? -50.831 -18.024 -40.844 1.00 158.86 ? 278 ASN A CB 1 ATOM 1779 C CG . ASN A 1 251 ? -50.543 -18.033 -42.340 1.00 160.20 ? 278 ASN A CG 1 ATOM 1780 O OD1 . ASN A 1 251 ? -50.465 -16.980 -42.983 1.00 156.96 ? 278 ASN A OD1 1 ATOM 1781 N ND2 . ASN A 1 251 ? -50.374 -19.228 -42.899 1.00 164.04 ? 278 ASN A ND2 1 ATOM 1782 N N . PRO A 1 252 ? -52.947 -17.187 -38.481 1.00 161.98 ? 279 PRO A N 1 ATOM 1783 C CA . PRO A 1 252 ? -53.331 -17.210 -37.053 1.00 164.50 ? 279 PRO A CA 1 ATOM 1784 C C . PRO A 1 252 ? -52.429 -18.047 -36.122 1.00 168.79 ? 279 PRO A C 1 ATOM 1785 O O . PRO A 1 252 ? -52.374 -17.769 -34.920 1.00 167.39 ? 279 PRO A O 1 ATOM 1786 C CB . PRO A 1 252 ? -54.755 -17.789 -37.076 1.00 165.83 ? 279 PRO A CB 1 ATOM 1787 C CG . PRO A 1 252 ? -55.255 -17.537 -38.453 1.00 164.35 ? 279 PRO A CG 1 ATOM 1788 C CD . PRO A 1 252 ? -54.053 -17.659 -39.340 1.00 163.12 ? 279 PRO A CD 1 ATOM 1789 N N . GLU A 1 253 ? -51.743 -19.053 -36.675 1.00 173.99 ? 280 GLU A N 1 ATOM 1790 C CA . GLU A 1 253 ? -50.841 -19.925 -35.902 1.00 178.00 ? 280 GLU A CA 1 ATOM 1791 C C . GLU A 1 253 ? -49.636 -19.198 -35.278 1.00 177.36 ? 280 GLU A C 1 ATOM 1792 O O . GLU A 1 253 ? -49.166 -19.593 -34.207 1.00 179.39 ? 280 GLU A O 1 ATOM 1793 C CB . GLU A 1 253 ? -50.354 -21.101 -36.768 1.00 179.36 ? 280 GLU A CB 1 ATOM 1794 C CG . GLU A 1 253 ? -51.454 -22.090 -37.139 1.00 181.77 ? 280 GLU A CG 1 ATOM 1795 C CD . GLU A 1 253 ? -50.939 -23.302 -37.902 1.00 184.68 ? 280 GLU A CD 1 ATOM 1796 O OE1 . GLU A 1 253 ? -51.290 -24.440 -37.521 1.00 187.60 ? 280 GLU A OE1 1 ATOM 1797 O OE2 . GLU A 1 253 ? -50.184 -23.126 -38.882 1.00 183.35 ? 280 GLU A OE2 1 ATOM 1798 N N . ILE A 1 254 ? -49.154 -18.143 -35.938 1.00 174.47 ? 281 ILE A N 1 ATOM 1799 C CA . ILE A 1 254 ? -48.022 -17.346 -35.439 1.00 172.65 ? 281 ILE A CA 1 ATOM 1800 C C . ILE A 1 254 ? -48.475 -16.483 -34.257 1.00 170.44 ? 281 ILE A C 1 ATOM 1801 O O . ILE A 1 254 ? -49.080 -15.429 -34.455 1.00 166.10 ? 281 ILE A O 1 ATOM 1802 C CB . ILE A 1 254 ? -47.423 -16.444 -36.550 1.00 170.39 ? 281 ILE A CB 1 ATOM 1803 C CG1 . ILE A 1 254 ? -46.849 -17.301 -37.686 1.00 172.21 ? 281 ILE A CG1 1 ATOM 1804 C CG2 . ILE A 1 254 ? -46.339 -15.520 -35.988 1.00 169.16 ? 281 ILE A CG2 1 ATOM 1805 C CD1 . ILE A 1 254 ? -46.733 -16.567 -39.004 1.00 170.28 ? 281 ILE A CD1 1 ATOM 1806 N N . ASP A 1 255 ? -48.171 -16.933 -33.038 1.00 172.93 ? 282 ASP A N 1 ATOM 1807 C CA . ASP A 1 255 ? -48.602 -16.237 -31.806 1.00 171.45 ? 282 ASP A CA 1 ATOM 1808 C C . ASP A 1 255 ? -47.795 -14.961 -31.517 1.00 166.83 ? 282 ASP A C 1 ATOM 1809 O O . ASP A 1 255 ? -46.829 -14.650 -32.222 1.00 166.43 ? 282 ASP A O 1 ATOM 1810 C CB . ASP A 1 255 ? -48.572 -17.190 -30.593 1.00 174.88 ? 282 ASP A CB 1 ATOM 1811 C CG . ASP A 1 255 ? -47.163 -17.585 -30.178 1.00 176.93 ? 282 ASP A CG 1 ATOM 1812 O OD1 . ASP A 1 255 ? -46.418 -18.110 -31.031 1.00 178.26 ? 282 ASP A OD1 1 ATOM 1813 O OD2 . ASP A 1 255 ? -46.809 -17.383 -28.997 1.00 177.36 ? 282 ASP A OD2 1 ATOM 1814 N N . THR A 1 256 ? -48.221 -14.219 -30.494 1.00 163.67 ? 283 THR A N 1 ATOM 1815 C CA . THR A 1 256 ? -47.548 -12.985 -30.058 1.00 160.12 ? 283 THR A CA 1 ATOM 1816 C C . THR A 1 256 ? -47.890 -12.664 -28.600 1.00 160.50 ? 283 THR A C 1 ATOM 1817 O O . THR A 1 256 ? -47.689 -13.488 -27.708 1.00 163.60 ? 283 THR A O 1 ATOM 1818 C CB . THR A 1 256 ? -47.946 -11.777 -30.934 1.00 154.46 ? 283 THR A CB 1 ATOM 1819 O OG1 . THR A 1 256 ? -47.610 -12.033 -32.304 1.00 153.29 ? 283 THR A OG1 1 ATOM 1820 C CG2 . THR A 1 256 ? -47.231 -10.508 -30.478 1.00 151.06 ? 283 THR A CG2 1 ATOM 1821 N N . GLU A 1 260 ? -51.510 -12.937 -21.646 1.00 164.85 ? 287 GLU A N 1 ATOM 1822 C CA . GLU A 1 260 ? -52.292 -11.948 -20.905 1.00 162.74 ? 287 GLU A CA 1 ATOM 1823 C C . GLU A 1 260 ? -51.427 -11.228 -19.865 1.00 158.03 ? 287 GLU A C 1 ATOM 1824 O O . GLU A 1 260 ? -51.704 -11.266 -18.659 1.00 159.38 ? 287 GLU A O 1 ATOM 1825 C CB . GLU A 1 260 ? -53.517 -12.619 -20.259 1.00 168.34 ? 287 GLU A CB 1 ATOM 1826 C CG . GLU A 1 260 ? -54.545 -13.123 -21.264 1.00 169.81 ? 287 GLU A CG 1 ATOM 1827 C CD . GLU A 1 260 ? -55.215 -11.994 -22.032 1.00 166.35 ? 287 GLU A CD 1 ATOM 1828 O OE1 . GLU A 1 260 ? -55.899 -11.162 -21.397 1.00 166.99 ? 287 GLU A OE1 1 ATOM 1829 O OE2 . GLU A 1 260 ? -55.053 -11.934 -23.271 1.00 163.18 ? 287 GLU A OE2 1 ATOM 1830 N N . TRP A 1 261 ? -50.377 -10.576 -20.365 1.00 150.56 ? 288 TRP A N 1 ATOM 1831 C CA . TRP A 1 261 ? -49.399 -9.866 -19.542 1.00 146.74 ? 288 TRP A CA 1 ATOM 1832 C C . TRP A 1 261 ? -49.261 -8.422 -20.020 1.00 137.36 ? 288 TRP A C 1 ATOM 1833 O O . TRP A 1 261 ? -49.107 -8.173 -21.220 1.00 132.88 ? 288 TRP A O 1 ATOM 1834 C CB . TRP A 1 261 ? -48.028 -10.552 -19.615 1.00 150.48 ? 288 TRP A CB 1 ATOM 1835 C CG . TRP A 1 261 ? -47.921 -11.846 -18.846 1.00 156.25 ? 288 TRP A CG 1 ATOM 1836 C CD1 . TRP A 1 261 ? -48.202 -12.041 -17.521 1.00 158.82 ? 288 TRP A CD1 1 ATOM 1837 C CD2 . TRP A 1 261 ? -47.469 -13.111 -19.351 1.00 159.33 ? 288 TRP A CD2 1 ATOM 1838 N NE1 . TRP A 1 261 ? -47.970 -13.349 -17.176 1.00 164.17 ? 288 TRP A NE1 1 ATOM 1839 C CE2 . TRP A 1 261 ? -47.517 -14.030 -18.276 1.00 165.23 ? 288 TRP A CE2 1 ATOM 1840 C CE3 . TRP A 1 261 ? -47.033 -13.559 -20.610 1.00 159.36 ? 288 TRP A CE3 1 ATOM 1841 C CZ2 . TRP A 1 261 ? -47.146 -15.383 -18.420 1.00 170.36 ? 288 TRP A CZ2 1 ATOM 1842 C CZ3 . TRP A 1 261 ? -46.664 -14.905 -20.757 1.00 164.72 ? 288 TRP A CZ3 1 ATOM 1843 C CH2 . TRP A 1 261 ? -46.725 -15.800 -19.663 1.00 169.67 ? 288 TRP A CH2 1 ATOM 1844 N N . ALA A 1 262 ? -49.305 -7.483 -19.075 1.00 131.15 ? 289 ALA A N 1 ATOM 1845 C CA . ALA A 1 262 ? -49.110 -6.065 -19.374 1.00 122.90 ? 289 ALA A CA 1 ATOM 1846 C C . ALA A 1 262 ? -47.624 -5.764 -19.573 1.00 118.84 ? 289 ALA A C 1 ATOM 1847 O O . ALA A 1 262 ? -46.766 -6.493 -19.066 1.00 119.23 ? 289 ALA A O 1 ATOM 1848 C CB . ALA A 1 262 ? -49.687 -5.208 -18.259 1.00 122.46 ? 289 ALA A CB 1 ATOM 1849 N N . PHE A 1 263 ? -47.338 -4.682 -20.304 1.00 112.27 ? 290 PHE A N 1 ATOM 1850 C CA . PHE A 1 263 ? -45.955 -4.297 -20.680 1.00 109.32 ? 290 PHE A CA 1 ATOM 1851 C C . PHE A 1 263 ? -44.926 -4.236 -19.533 1.00 111.45 ? 290 PHE A C 1 ATOM 1852 O O . PHE A 1 263 ? -43.767 -4.617 -19.710 1.00 114.67 ? 290 PHE A O 1 ATOM 1853 C CB . PHE A 1 263 ? -45.949 -2.970 -21.457 1.00 103.87 ? 290 PHE A CB 1 ATOM 1854 C CG . PHE A 1 263 ? -46.427 -1.776 -20.665 1.00 100.70 ? 290 PHE A CG 1 ATOM 1855 C CD1 . PHE A 1 263 ? -45.556 -1.066 -19.831 1.00 100.37 ? 290 PHE A CD1 1 ATOM 1856 C CD2 . PHE A 1 263 ? -47.738 -1.335 -20.778 1.00 98.22 ? 290 PHE A CD2 1 ATOM 1857 C CE1 . PHE A 1 263 ? -45.993 0.050 -19.121 1.00 98.13 ? 290 PHE A CE1 1 ATOM 1858 C CE2 . PHE A 1 263 ? -48.181 -0.228 -20.066 1.00 96.03 ? 290 PHE A CE2 1 ATOM 1859 C CZ . PHE A 1 263 ? -47.310 0.469 -19.237 1.00 95.59 ? 290 PHE A CZ 1 ATOM 1860 N N . TRP A 1 264 ? -45.359 -3.769 -18.365 1.00 110.14 ? 291 TRP A N 1 ATOM 1861 C CA . TRP A 1 264 ? -44.467 -3.565 -17.216 1.00 110.61 ? 291 TRP A CA 1 ATOM 1862 C C . TRP A 1 264 ? -44.064 -4.825 -16.441 1.00 117.28 ? 291 TRP A C 1 ATOM 1863 O O . TRP A 1 264 ? -43.231 -4.726 -15.535 1.00 118.30 ? 291 TRP A O 1 ATOM 1864 C CB . TRP A 1 264 ? -45.097 -2.575 -16.232 1.00 106.54 ? 291 TRP A CB 1 ATOM 1865 C CG . TRP A 1 264 ? -46.285 -3.117 -15.492 1.00 104.84 ? 291 TRP A CG 1 ATOM 1866 C CD1 . TRP A 1 264 ? -46.271 -3.917 -14.391 1.00 107.05 ? 291 TRP A CD1 1 ATOM 1867 C CD2 . TRP A 1 264 ? -47.659 -2.888 -15.806 1.00 101.19 ? 291 TRP A CD2 1 ATOM 1868 N NE1 . TRP A 1 264 ? -47.550 -4.205 -14.001 1.00 106.62 ? 291 TRP A NE1 1 ATOM 1869 C CE2 . TRP A 1 264 ? -48.425 -3.586 -14.853 1.00 102.93 ? 291 TRP A CE2 1 ATOM 1870 C CE3 . TRP A 1 264 ? -48.319 -2.154 -16.799 1.00 97.20 ? 291 TRP A CE3 1 ATOM 1871 C CZ2 . TRP A 1 264 ? -49.822 -3.569 -14.857 1.00 102.12 ? 291 TRP A CZ2 1 ATOM 1872 C CZ3 . TRP A 1 264 ? -49.705 -2.138 -16.807 1.00 96.08 ? 291 TRP A CZ3 1 ATOM 1873 C CH2 . TRP A 1 264 ? -50.444 -2.845 -15.844 1.00 98.66 ? 291 TRP A CH2 1 ATOM 1874 N N . GLU A 1 265 ? -44.673 -5.977 -16.750 1.00 122.84 ? 292 GLU A N 1 ATOM 1875 C CA . GLU A 1 265 ? -44.365 -7.254 -16.049 1.00 131.46 ? 292 GLU A CA 1 ATOM 1876 C C . GLU A 1 265 ? -43.649 -8.321 -16.905 1.00 136.08 ? 292 GLU A C 1 ATOM 1877 O O . GLU A 1 265 ? -43.179 -9.326 -16.366 1.00 140.43 ? 292 GLU A O 1 ATOM 1878 C CB . GLU A 1 265 ? -45.609 -7.834 -15.329 1.00 133.14 ? 292 GLU A CB 1 ATOM 1879 C CG . GLU A 1 265 ? -46.923 -7.890 -16.110 1.00 131.16 ? 292 GLU A CG 1 ATOM 1880 C CD . GLU A 1 265 ? -48.125 -8.228 -15.231 1.00 132.81 ? 292 GLU A CD 1 ATOM 1881 O OE1 . GLU A 1 265 ? -49.271 -7.953 -15.655 1.00 131.64 ? 292 GLU A OE1 1 ATOM 1882 O OE2 . GLU A 1 265 ? -47.939 -8.761 -14.117 1.00 136.23 ? 292 GLU A OE2 1 ATOM 1883 N N . THR A 1 266 ? -43.551 -8.089 -18.216 1.00 138.12 ? 293 THR A N 1 ATOM 1884 C CA . THR A 1 266 ? -42.727 -8.907 -19.117 1.00 142.78 ? 293 THR A CA 1 ATOM 1885 C C . THR A 1 266 ? -41.400 -8.198 -19.399 1.00 143.70 ? 293 THR A C 1 ATOM 1886 O O . THR A 1 266 ? -41.342 -6.965 -19.482 1.00 139.99 ? 293 THR A O 1 ATOM 1887 C CB . THR A 1 266 ? -43.450 -9.172 -20.456 1.00 141.27 ? 293 THR A CB 1 ATOM 1888 O OG1 . THR A 1 266 ? -44.007 -7.949 -20.957 1.00 134.88 ? 293 THR A OG1 1 ATOM 1889 C CG2 . THR A 1 266 ? -44.567 -10.198 -20.273 1.00 143.53 ? 293 THR A CG2 1 ATOM 1890 N N . SER A 1 276 ? -35.553 -13.750 -35.083 1.00 190.43 ? 303 SER A N 1 ATOM 1891 C CA . SER A 1 276 ? -34.914 -14.861 -35.785 1.00 195.69 ? 303 SER A CA 1 ATOM 1892 C C . SER A 1 276 ? -35.485 -15.034 -37.200 1.00 195.88 ? 303 SER A C 1 ATOM 1893 O O . SER A 1 276 ? -36.411 -14.316 -37.594 1.00 191.63 ? 303 SER A O 1 ATOM 1894 C CB . SER A 1 276 ? -35.060 -16.154 -34.970 1.00 197.62 ? 303 SER A CB 1 ATOM 1895 O OG . SER A 1 276 ? -36.422 -16.479 -34.746 1.00 194.91 ? 303 SER A OG 1 ATOM 1896 N N . GLU A 1 277 ? -34.908 -15.970 -37.959 1.00 200.97 ? 304 GLU A N 1 ATOM 1897 C CA . GLU A 1 277 ? -35.365 -16.308 -39.316 1.00 201.70 ? 304 GLU A CA 1 ATOM 1898 C C . GLU A 1 277 ? -35.934 -17.736 -39.372 1.00 203.05 ? 304 GLU A C 1 ATOM 1899 O O . GLU A 1 277 ? -35.355 -18.637 -39.994 1.00 201.34 ? 304 GLU A O 1 ATOM 1900 C CB . GLU A 1 277 ? -34.222 -16.137 -40.325 1.00 204.41 ? 304 GLU A CB 1 ATOM 1901 C CG . GLU A 1 277 ? -33.737 -14.701 -40.472 1.00 202.04 ? 304 GLU A CG 1 ATOM 1902 C CD . GLU A 1 277 ? -32.666 -14.532 -41.540 1.00 203.55 ? 304 GLU A CD 1 ATOM 1903 O OE1 . GLU A 1 277 ? -32.201 -15.543 -42.115 1.00 204.96 ? 304 GLU A OE1 1 ATOM 1904 O OE2 . GLU A 1 277 ? -32.287 -13.372 -41.807 1.00 201.19 ? 304 GLU A OE2 1 ATOM 1905 N N . GLU A 1 278 ? -37.068 -17.916 -38.694 1.00 201.81 ? 305 GLU A N 1 ATOM 1906 C CA . GLU A 1 278 ? -37.849 -19.162 -38.715 1.00 201.61 ? 305 GLU A CA 1 ATOM 1907 C C . GLU A 1 278 ? -39.084 -19.079 -39.628 1.00 196.17 ? 305 GLU A C 1 ATOM 1908 O O . GLU A 1 278 ? -39.508 -20.098 -40.181 1.00 196.46 ? 305 GLU A O 1 ATOM 1909 C CB . GLU A 1 278 ? -38.285 -19.528 -37.292 1.00 203.74 ? 305 GLU A CB 1 ATOM 1910 C CG . GLU A 1 278 ? -37.132 -19.876 -36.358 1.00 207.99 ? 305 GLU A CG 1 ATOM 1911 C CD . GLU A 1 278 ? -37.543 -19.913 -34.895 1.00 209.07 ? 305 GLU A CD 1 ATOM 1912 O OE1 . GLU A 1 278 ? -38.016 -18.877 -34.378 1.00 205.19 ? 305 GLU A OE1 1 ATOM 1913 O OE2 . GLU A 1 278 ? -37.381 -20.975 -34.258 1.00 213.31 ? 305 GLU A OE2 1 ATOM 1914 N N . LEU A 1 279 ? -39.654 -17.878 -39.777 1.00 189.14 ? 306 LEU A N 1 ATOM 1915 C CA . LEU A 1 279 ? -40.843 -17.658 -40.612 1.00 183.54 ? 306 LEU A CA 1 ATOM 1916 C C . LEU A 1 279 ? -40.507 -17.734 -42.098 1.00 180.63 ? 306 LEU A C 1 ATOM 1917 O O . LEU A 1 279 ? -39.381 -17.433 -42.501 1.00 179.22 ? 306 LEU A O 1 ATOM 1918 C CB . LEU A 1 279 ? -41.469 -16.289 -40.319 1.00 180.35 ? 306 LEU A CB 1 ATOM 1919 C CG . LEU A 1 279 ? -41.922 -15.993 -38.886 1.00 180.32 ? 306 LEU A CG 1 ATOM 1920 C CD1 . LEU A 1 279 ? -42.375 -14.544 -38.766 1.00 175.88 ? 306 LEU A CD1 1 ATOM 1921 C CD2 . LEU A 1 279 ? -43.028 -16.945 -38.453 1.00 182.05 ? 306 LEU A CD2 1 ATOM 1922 N N . SER A 1 280 ? -41.498 -18.124 -42.900 1.00 178.54 ? 307 SER A N 1 ATOM 1923 C CA . SER A 1 280 ? -41.345 -18.283 -44.350 1.00 178.80 ? 307 SER A CA 1 ATOM 1924 C C . SER A 1 280 ? -42.443 -17.519 -45.094 1.00 176.51 ? 307 SER A C 1 ATOM 1925 O O . SER A 1 280 ? -43.630 -17.720 -44.831 1.00 175.96 ? 307 SER A O 1 ATOM 1926 C CB . SER A 1 280 ? -41.391 -19.764 -44.728 1.00 180.72 ? 307 SER A CB 1 ATOM 1927 O OG . SER A 1 280 ? -42.583 -20.371 -44.268 1.00 180.73 ? 307 SER A OG 1 ATOM 1928 N N . PHE A 1 281 ? -42.027 -16.659 -46.026 1.00 175.63 ? 308 PHE A N 1 ATOM 1929 C CA . PHE A 1 281 ? -42.918 -15.756 -46.762 1.00 173.30 ? 308 PHE A CA 1 ATOM 1930 C C . PHE A 1 281 ? -43.053 -16.209 -48.216 1.00 171.15 ? 308 PHE A C 1 ATOM 1931 O O . PHE A 1 281 ? -42.049 -16.536 -48.851 1.00 172.96 ? 308 PHE A O 1 ATOM 1932 C CB . PHE A 1 281 ? -42.347 -14.333 -46.732 1.00 173.73 ? 308 PHE A CB 1 ATOM 1933 C CG . PHE A 1 281 ? -42.270 -13.731 -45.353 1.00 176.08 ? 308 PHE A CG 1 ATOM 1934 C CD1 . PHE A 1 281 ? -43.260 -12.859 -44.901 1.00 176.05 ? 308 PHE A CD1 1 ATOM 1935 C CD2 . PHE A 1 281 ? -41.204 -14.026 -44.506 1.00 179.59 ? 308 PHE A CD2 1 ATOM 1936 C CE1 . PHE A 1 281 ? -43.193 -12.300 -43.630 1.00 176.12 ? 308 PHE A CE1 1 ATOM 1937 C CE2 . PHE A 1 281 ? -41.132 -13.472 -43.234 1.00 180.80 ? 308 PHE A CE2 1 ATOM 1938 C CZ . PHE A 1 281 ? -42.127 -12.607 -42.795 1.00 178.47 ? 308 PHE A CZ 1 ATOM 1939 N N . THR A 1 282 ? -44.283 -16.225 -48.737 1.00 167.61 ? 309 THR A N 1 ATOM 1940 C CA . THR A 1 282 ? -44.555 -16.619 -50.132 1.00 167.56 ? 309 THR A CA 1 ATOM 1941 C C . THR A 1 282 ? -45.712 -15.803 -50.729 1.00 165.30 ? 309 THR A C 1 ATOM 1942 O O . THR A 1 282 ? -46.732 -15.598 -50.069 1.00 161.83 ? 309 THR A O 1 ATOM 1943 C CB . THR A 1 282 ? -44.890 -18.126 -50.248 1.00 169.60 ? 309 THR A CB 1 ATOM 1944 O OG1 . THR A 1 282 ? -45.896 -18.473 -49.289 1.00 169.53 ? 309 THR A OG1 1 ATOM 1945 C CG2 . THR A 1 282 ? -43.652 -18.992 -50.013 1.00 170.64 ? 309 THR A CG2 1 ATOM 1946 N N . VAL A 1 283 ? -45.548 -15.364 -51.982 1.00 167.26 ? 310 VAL A N 1 ATOM 1947 C CA . VAL A 1 283 ? -46.508 -14.470 -52.659 1.00 167.70 ? 310 VAL A CA 1 ATOM 1948 C C . VAL A 1 283 ? -47.624 -15.276 -53.334 1.00 170.15 ? 310 VAL A C 1 ATOM 1949 O O . VAL A 1 283 ? -47.365 -16.024 -54.280 1.00 174.88 ? 310 VAL A O 1 ATOM 1950 C CB . VAL A 1 283 ? -45.818 -13.577 -53.727 1.00 167.45 ? 310 VAL A CB 1 ATOM 1951 C CG1 . VAL A 1 283 ? -46.817 -12.599 -54.349 1.00 165.72 ? 310 VAL A CG1 1 ATOM 1952 C CG2 . VAL A 1 283 ? -44.632 -12.823 -53.128 1.00 167.57 ? 310 VAL A CG2 1 ATOM 1953 N N . VAL A 1 284 ? -48.860 -15.103 -52.860 1.00 169.23 ? 311 VAL A N 1 ATOM 1954 C CA . VAL A 1 284 ? -50.013 -15.845 -53.382 1.00 170.12 ? 311 VAL A CA 1 ATOM 1955 C C . VAL A 1 284 ? -50.538 -15.165 -54.646 1.00 168.44 ? 311 VAL A C 1 ATOM 1956 O O . VAL A 1 284 ? -51.135 -14.092 -54.586 1.00 164.86 ? 311 VAL A O 1 ATOM 1957 C CB . VAL A 1 284 ? -51.145 -15.971 -52.329 1.00 170.01 ? 311 VAL A CB 1 ATOM 1958 C CG1 . VAL A 1 284 ? -52.335 -16.744 -52.898 1.00 171.83 ? 311 VAL A CG1 1 ATOM 1959 C CG2 . VAL A 1 284 ? -50.625 -16.644 -51.062 1.00 170.22 ? 311 VAL A CG2 1 ATOM 1960 N N . UNK A 1 324 ? -52.248 -4.038 -56.618 1.00 138.82 ? 471 UNK A N 1 ATOM 1961 C CA . UNK A 1 324 ? -52.260 -4.758 -55.348 1.00 139.71 ? 471 UNK A CA 1 ATOM 1962 C C . UNK A 1 324 ? -51.787 -6.203 -55.521 1.00 138.41 ? 471 UNK A C 1 ATOM 1963 O O . UNK A 1 324 ? -51.883 -6.772 -56.612 1.00 137.52 ? 471 UNK A O 1 ATOM 1964 C CB . UNK A 1 324 ? -53.655 -4.725 -54.737 1.00 138.44 ? 471 UNK A CB 1 ATOM 1965 N N . UNK A 1 325 ? -51.274 -6.784 -54.438 1.00 136.18 ? 472 UNK A N 1 ATOM 1966 C CA . UNK A 1 325 ? -50.793 -8.169 -54.439 1.00 133.93 ? 472 UNK A CA 1 ATOM 1967 C C . UNK A 1 325 ? -50.690 -8.715 -53.011 1.00 133.63 ? 472 UNK A C 1 ATOM 1968 O O . UNK A 1 325 ? -49.707 -8.459 -52.312 1.00 134.32 ? 472 UNK A O 1 ATOM 1969 C CB . UNK A 1 325 ? -49.445 -8.258 -55.145 1.00 131.94 ? 472 UNK A CB 1 ATOM 1970 N N . UNK A 1 326 ? -51.711 -9.462 -52.589 1.00 132.59 ? 473 UNK A N 1 ATOM 1971 C CA . UNK A 1 326 ? -51.752 -10.060 -51.247 1.00 129.98 ? 473 UNK A CA 1 ATOM 1972 C C . UNK A 1 326 ? -50.787 -11.242 -51.124 1.00 129.74 ? 473 UNK A C 1 ATOM 1973 O O . UNK A 1 326 ? -50.341 -11.804 -52.129 1.00 130.10 ? 473 UNK A O 1 ATOM 1974 C CB . UNK A 1 326 ? -53.170 -10.498 -50.901 1.00 126.78 ? 473 UNK A CB 1 ATOM 1975 N N . UNK A 1 327 ? -50.471 -11.607 -49.883 1.00 128.79 ? 474 UNK A N 1 ATOM 1976 C CA . UNK A 1 327 ? -49.562 -12.723 -49.600 1.00 128.30 ? 474 UNK A CA 1 ATOM 1977 C C . UNK A 1 327 ? -49.684 -13.213 -48.155 1.00 128.00 ? 474 UNK A C 1 ATOM 1978 O O . UNK A 1 327 ? -50.307 -12.554 -47.318 1.00 129.81 ? 474 UNK A O 1 ATOM 1979 C CB . UNK A 1 327 ? -48.126 -12.317 -49.901 1.00 127.66 ? 474 UNK A CB 1 ATOM 1980 N N . UNK A 1 328 ? -49.084 -14.371 -47.880 1.00 126.56 ? 475 UNK A N 1 ATOM 1981 C CA . UNK A 1 328 ? -49.129 -15.001 -46.558 1.00 124.79 ? 475 UNK A CA 1 ATOM 1982 C C . UNK A 1 328 ? -47.722 -15.200 -45.987 1.00 124.72 ? 475 UNK A C 1 ATOM 1983 O O . UNK A 1 328 ? -46.753 -15.352 -46.734 1.00 121.37 ? 475 UNK A O 1 ATOM 1984 C CB . UNK A 1 328 ? -49.861 -16.332 -46.639 1.00 122.82 ? 475 UNK A CB 1 ATOM 1985 N N . UNK A 1 329 ? -47.632 -15.183 -44.657 1.00 128.93 ? 476 UNK A N 1 ATOM 1986 C CA . UNK A 1 329 ? -46.397 -15.462 -43.921 1.00 132.87 ? 476 UNK A CA 1 ATOM 1987 C C . UNK A 1 329 ? -46.686 -16.578 -42.916 1.00 138.35 ? 476 UNK A C 1 ATOM 1988 O O . UNK A 1 329 ? -47.547 -16.416 -42.048 1.00 143.52 ? 476 UNK A O 1 ATOM 1989 C CB . UNK A 1 329 ? -45.916 -14.210 -43.204 1.00 132.16 ? 476 UNK A CB 1 ATOM 1990 N N . UNK A 1 330 ? -45.977 -17.703 -43.043 1.00 139.66 ? 477 UNK A N 1 ATOM 1991 C CA . UNK A 1 330 ? -46.223 -18.896 -42.222 1.00 136.39 ? 477 UNK A CA 1 ATOM 1992 C C . UNK A 1 330 ? -44.915 -19.485 -41.707 1.00 134.92 ? 477 UNK A C 1 ATOM 1993 O O . UNK A 1 330 ? -44.325 -18.974 -40.756 1.00 132.97 ? 477 UNK A O 1 ATOM 1994 C CB . UNK A 1 330 ? -46.988 -19.936 -43.028 1.00 134.99 ? 477 UNK A CB 1 ATOM 1995 N N . GLU B 2 1 ? -63.723 9.707 2.204 1.00 111.19 ? 502 GLU B N 1 ATOM 1996 C CA . GLU B 2 1 ? -63.837 8.274 1.771 1.00 111.61 ? 502 GLU B CA 1 ATOM 1997 C C . GLU B 2 1 ? -62.476 7.582 1.666 1.00 109.34 ? 502 GLU B C 1 ATOM 1998 O O . GLU B 2 1 ? -61.436 8.239 1.657 1.00 108.34 ? 502 GLU B O 1 ATOM 1999 C CB . GLU B 2 1 ? -64.548 8.171 0.417 1.00 112.89 ? 502 GLU B CB 1 ATOM 2000 C CG . GLU B 2 1 ? -65.988 8.650 0.417 1.00 115.80 ? 502 GLU B CG 1 ATOM 2001 C CD . GLU B 2 1 ? -66.665 8.446 -0.928 1.00 117.66 ? 502 GLU B CD 1 ATOM 2002 O OE1 . GLU B 2 1 ? -67.789 7.899 -0.955 1.00 121.49 ? 502 GLU B OE1 1 ATOM 2003 O OE2 . GLU B 2 1 ? -66.073 8.825 -1.962 1.00 116.64 ? 502 GLU B OE2 1 ATOM 2004 N N . ALA B 2 2 ? -62.507 6.252 1.582 1.00 108.63 ? 503 ALA B N 1 ATOM 2005 C CA . ALA B 2 2 ? -61.313 5.439 1.320 1.00 105.91 ? 503 ALA B CA 1 ATOM 2006 C C . ALA B 2 2 ? -61.181 5.122 -0.176 1.00 101.90 ? 503 ALA B C 1 ATOM 2007 O O . ALA B 2 2 ? -62.179 5.118 -0.906 1.00 101.32 ? 503 ALA B O 1 ATOM 2008 C CB . ALA B 2 2 ? -61.366 4.155 2.128 1.00 108.12 ? 503 ALA B CB 1 ATOM 2009 N N . ILE B 2 3 ? -59.949 4.857 -0.615 1.00 96.95 ? 504 ILE B N 1 ATOM 2010 C CA . ILE B 2 3 ? -59.639 4.568 -2.023 1.00 93.11 ? 504 ILE B CA 1 ATOM 2011 C C . ILE B 2 3 ? -59.484 3.065 -2.247 1.00 91.34 ? 504 ILE B C 1 ATOM 2012 O O . ILE B 2 3 ? -58.488 2.469 -1.843 1.00 91.18 ? 504 ILE B O 1 ATOM 2013 C CB . ILE B 2 3 ? -58.342 5.285 -2.472 1.00 90.99 ? 504 ILE B CB 1 ATOM 2014 C CG1 . ILE B 2 3 ? -58.493 6.809 -2.343 1.00 90.13 ? 504 ILE B CG1 1 ATOM 2015 C CG2 . ILE B 2 3 ? -57.958 4.899 -3.899 1.00 89.02 ? 504 ILE B CG2 1 ATOM 2016 C CD1 . ILE B 2 3 ? -59.602 7.401 -3.183 1.00 89.29 ? 504 ILE B CD1 1 ATOM 2017 N N . VAL B 2 4 ? -60.468 2.472 -2.912 1.00 89.61 ? 505 VAL B N 1 ATOM 2018 C CA . VAL B 2 4 ? -60.460 1.051 -3.250 1.00 90.10 ? 505 VAL B CA 1 ATOM 2019 C C . VAL B 2 4 ? -60.113 0.905 -4.730 1.00 87.89 ? 505 VAL B C 1 ATOM 2020 O O . VAL B 2 4 ? -60.951 1.206 -5.592 1.00 88.12 ? 505 VAL B O 1 ATOM 2021 C CB . VAL B 2 4 ? -61.849 0.419 -2.989 1.00 91.37 ? 505 VAL B CB 1 ATOM 2022 C CG1 . VAL B 2 4 ? -61.846 -1.070 -3.331 1.00 93.34 ? 505 VAL B CG1 1 ATOM 2023 C CG2 . VAL B 2 4 ? -62.278 0.663 -1.547 1.00 91.89 ? 505 VAL B CG2 1 ATOM 2024 N N . ASN B 2 5 ? -58.894 0.451 -5.035 1.00 85.69 ? 506 ASN B N 1 ATOM 2025 C CA . ASN B 2 5 ? -58.515 0.188 -6.432 1.00 83.66 ? 506 ASN B CA 1 ATOM 2026 C C . ASN B 2 5 ? -59.406 -0.909 -7.023 1.00 83.62 ? 506 ASN B C 1 ATOM 2027 O O . ASN B 2 5 ? -59.428 -2.033 -6.522 1.00 85.34 ? 506 ASN B O 1 ATOM 2028 C CB . ASN B 2 5 ? -57.034 -0.169 -6.583 1.00 82.90 ? 506 ASN B CB 1 ATOM 2029 C CG . ASN B 2 5 ? -56.578 -0.137 -8.040 1.00 83.15 ? 506 ASN B CG 1 ATOM 2030 O OD1 . ASN B 2 5 ? -57.020 -0.953 -8.853 1.00 84.67 ? 506 ASN B OD1 1 ATOM 2031 N ND2 . ASN B 2 5 ? -55.701 0.810 -8.381 1.00 80.80 ? 506 ASN B ND2 1 ATOM 2032 N N . ALA B 2 6 ? -60.146 -0.549 -8.073 1.00 82.78 ? 507 ALA B N 1 ATOM 2033 C CA . ALA B 2 6 ? -61.120 -1.425 -8.732 1.00 84.95 ? 507 ALA B CA 1 ATOM 2034 C C . ALA B 2 6 ? -60.815 -1.541 -10.226 1.00 83.21 ? 507 ALA B C 1 ATOM 2035 O O . ALA B 2 6 ? -61.732 -1.684 -11.038 1.00 83.64 ? 507 ALA B O 1 ATOM 2036 C CB . ALA B 2 6 ? -62.532 -0.880 -8.528 1.00 85.42 ? 507 ALA B CB 1 ATOM 2037 N N . GLN B 2 7 ? -59.527 -1.480 -10.575 1.00 81.51 ? 508 GLN B N 1 ATOM 2038 C CA . GLN B 2 7 ? -59.073 -1.588 -11.961 1.00 79.55 ? 508 GLN B CA 1 ATOM 2039 C C . GLN B 2 7 ? -58.616 -3.023 -12.254 1.00 80.00 ? 508 GLN B C 1 ATOM 2040 O O . GLN B 2 7 ? -58.219 -3.747 -11.338 1.00 80.69 ? 508 GLN B O 1 ATOM 2041 C CB . GLN B 2 7 ? -57.924 -0.612 -12.224 1.00 77.13 ? 508 GLN B CB 1 ATOM 2042 C CG . GLN B 2 7 ? -58.230 0.839 -11.885 1.00 75.87 ? 508 GLN B CG 1 ATOM 2043 C CD . GLN B 2 7 ? -59.482 1.376 -12.566 1.00 75.36 ? 508 GLN B CD 1 ATOM 2044 O OE1 . GLN B 2 7 ? -60.332 1.987 -11.925 1.00 75.75 ? 508 GLN B OE1 1 ATOM 2045 N NE2 . GLN B 2 7 ? -59.602 1.142 -13.859 1.00 74.97 ? 508 GLN B NE2 1 ATOM 2046 N N . PRO B 2 8 ? -58.661 -3.438 -13.531 1.00 79.60 ? 509 PRO B N 1 ATOM 2047 C CA . PRO B 2 8 ? -58.212 -4.793 -13.875 1.00 81.64 ? 509 PRO B CA 1 ATOM 2048 C C . PRO B 2 8 ? -56.794 -5.095 -13.391 1.00 81.98 ? 509 PRO B C 1 ATOM 2049 O O . PRO B 2 8 ? -56.552 -6.151 -12.801 1.00 84.00 ? 509 PRO B O 1 ATOM 2050 C CB . PRO B 2 8 ? -58.277 -4.814 -15.406 1.00 81.33 ? 509 PRO B CB 1 ATOM 2051 C CG . PRO B 2 8 ? -59.229 -3.727 -15.776 1.00 80.17 ? 509 PRO B CG 1 ATOM 2052 C CD . PRO B 2 8 ? -59.131 -2.684 -14.711 1.00 78.73 ? 509 PRO B CD 1 ATOM 2053 N N . LYS B 2 9 ? -55.882 -4.160 -13.634 1.00 80.87 ? 510 LYS B N 1 ATOM 2054 C CA . LYS B 2 9 ? -54.495 -4.278 -13.210 1.00 82.00 ? 510 LYS B CA 1 ATOM 2055 C C . LYS B 2 9 ? -54.001 -2.962 -12.633 1.00 78.86 ? 510 LYS B C 1 ATOM 2056 O O . LYS B 2 9 ? -54.638 -1.933 -12.811 1.00 78.72 ? 510 LYS B O 1 ATOM 2057 C CB . LYS B 2 9 ? -53.629 -4.682 -14.398 1.00 84.32 ? 510 LYS B CB 1 ATOM 2058 C CG . LYS B 2 9 ? -54.111 -5.950 -15.084 1.00 88.08 ? 510 LYS B CG 1 ATOM 2059 C CD . LYS B 2 9 ? -53.020 -6.639 -15.882 1.00 90.90 ? 510 LYS B CD 1 ATOM 2060 C CE . LYS B 2 9 ? -53.218 -8.146 -15.869 1.00 95.27 ? 510 LYS B CE 1 ATOM 2061 N NZ . LYS B 2 9 ? -52.121 -8.818 -16.621 1.00 98.45 ? 510 LYS B NZ 1 ATOM 2062 N N . CYS B 2 10 ? -52.879 -3.018 -11.919 1.00 77.95 ? 511 CYS B N 1 ATOM 2063 C CA . CYS B 2 10 ? -52.173 -1.836 -11.432 1.00 75.53 ? 511 CYS B CA 1 ATOM 2064 C C . CYS B 2 10 ? -50.699 -1.969 -11.756 1.00 74.19 ? 511 CYS B C 1 ATOM 2065 O O . CYS B 2 10 ? -50.050 -2.891 -11.297 1.00 74.50 ? 511 CYS B O 1 ATOM 2066 C CB . CYS B 2 10 ? -52.319 -1.677 -9.913 1.00 76.75 ? 511 CYS B CB 1 ATOM 2067 S SG . CYS B 2 10 ? -51.357 -0.277 -9.259 1.00 78.22 ? 511 CYS B SG 1 ATOM 2068 N N . ASN B 2 11 ? -50.158 -1.037 -12.527 1.00 73.32 ? 512 ASN B N 1 ATOM 2069 C CA . ASN B 2 11 ? -48.708 -0.910 -12.620 1.00 72.53 ? 512 ASN B CA 1 ATOM 2070 C C . ASN B 2 11 ? -48.238 -0.306 -11.296 1.00 71.81 ? 512 ASN B C 1 ATOM 2071 O O . ASN B 2 11 ? -48.414 0.887 -11.071 1.00 69.26 ? 512 ASN B O 1 ATOM 2072 C CB . ASN B 2 11 ? -48.286 -0.050 -13.814 1.00 70.39 ? 512 ASN B CB 1 ATOM 2073 C CG . ASN B 2 11 ? -46.780 -0.027 -14.019 1.00 70.43 ? 512 ASN B CG 1 ATOM 2074 O OD1 . ASN B 2 11 ? -46.008 -0.392 -13.130 1.00 72.14 ? 512 ASN B OD1 1 ATOM 2075 N ND2 . ASN B 2 11 ? -46.353 0.403 -15.195 1.00 69.62 ? 512 ASN B ND2 1 ATOM 2076 N N . PRO B 2 12 ? -47.628 -1.133 -10.418 1.00 73.60 ? 513 PRO B N 1 ATOM 2077 C CA . PRO B 2 12 ? -47.260 -0.631 -9.090 1.00 73.07 ? 513 PRO B CA 1 ATOM 2078 C C . PRO B 2 12 ? -46.135 0.418 -9.085 1.00 72.52 ? 513 PRO B C 1 ATOM 2079 O O . PRO B 2 12 ? -45.846 0.969 -8.028 1.00 71.91 ? 513 PRO B O 1 ATOM 2080 C CB . PRO B 2 12 ? -46.785 -1.897 -8.380 1.00 74.49 ? 513 PRO B CB 1 ATOM 2081 C CG . PRO B 2 12 ? -46.144 -2.674 -9.469 1.00 74.71 ? 513 PRO B CG 1 ATOM 2082 C CD . PRO B 2 12 ? -47.019 -2.456 -10.670 1.00 73.80 ? 513 PRO B CD 1 ATOM 2083 N N . ASN B 2 13 ? -45.501 0.678 -10.231 1.00 72.90 ? 514 ASN B N 1 ATOM 2084 C CA . ASN B 2 13 ? -44.433 1.673 -10.322 1.00 73.49 ? 514 ASN B CA 1 ATOM 2085 C C . ASN B 2 13 ? -44.836 2.870 -11.162 1.00 72.24 ? 514 ASN B C 1 ATOM 2086 O O . ASN B 2 13 ? -45.400 2.728 -12.253 1.00 72.10 ? 514 ASN B O 1 ATOM 2087 C CB . ASN B 2 13 ? -43.182 1.043 -10.908 1.00 74.77 ? 514 ASN B CB 1 ATOM 2088 C CG . ASN B 2 13 ? -42.700 -0.119 -10.082 1.00 77.12 ? 514 ASN B CG 1 ATOM 2089 O OD1 . ASN B 2 13 ? -42.266 0.059 -8.946 1.00 78.18 ? 514 ASN B OD1 1 ATOM 2090 N ND2 . ASN B 2 13 ? -42.812 -1.319 -10.627 1.00 78.09 ? 514 ASN B ND2 1 ATOM 2091 N N . LEU B 2 14 ? -44.516 4.046 -10.637 1.00 71.72 ? 515 LEU B N 1 ATOM 2092 C CA . LEU B 2 14 ? -44.745 5.299 -11.315 1.00 71.14 ? 515 LEU B CA 1 ATOM 2093 C C . LEU B 2 14 ? -43.400 5.883 -11.750 1.00 70.44 ? 515 LEU B C 1 ATOM 2094 O O . LEU B 2 14 ? -42.683 6.497 -10.952 1.00 68.57 ? 515 LEU B O 1 ATOM 2095 C CB . LEU B 2 14 ? -45.489 6.255 -10.384 1.00 70.82 ? 515 LEU B CB 1 ATOM 2096 C CG . LEU B 2 14 ? -45.766 7.662 -10.909 1.00 70.99 ? 515 LEU B CG 1 ATOM 2097 C CD1 . LEU B 2 14 ? -46.509 7.590 -12.235 1.00 71.50 ? 515 LEU B CD1 1 ATOM 2098 C CD2 . LEU B 2 14 ? -46.532 8.490 -9.882 1.00 70.42 ? 515 LEU B CD2 1 ATOM 2099 N N . HIS B 2 15 ? -43.062 5.645 -13.016 1.00 70.57 ? 516 HIS B N 1 ATOM 2100 C CA . HIS B 2 15 ? -41.982 6.354 -13.699 1.00 70.65 ? 516 HIS B CA 1 ATOM 2101 C C . HIS B 2 15 ? -42.561 7.686 -14.177 1.00 69.03 ? 516 HIS B C 1 ATOM 2102 O O . HIS B 2 15 ? -43.344 7.721 -15.133 1.00 68.20 ? 516 HIS B O 1 ATOM 2103 C CB . HIS B 2 15 ? -41.459 5.519 -14.875 1.00 71.42 ? 516 HIS B CB 1 ATOM 2104 C CG . HIS B 2 15 ? -40.177 6.025 -15.463 1.00 72.20 ? 516 HIS B CG 1 ATOM 2105 N ND1 . HIS B 2 15 ? -39.720 5.625 -16.700 1.00 72.63 ? 516 HIS B ND1 1 ATOM 2106 C CD2 . HIS B 2 15 ? -39.261 6.905 -14.991 1.00 71.94 ? 516 HIS B CD2 1 ATOM 2107 C CE1 . HIS B 2 15 ? -38.572 6.225 -16.958 1.00 72.59 ? 516 HIS B CE1 1 ATOM 2108 N NE2 . HIS B 2 15 ? -38.274 7.011 -15.940 1.00 72.23 ? 516 HIS B NE2 1 ATOM 2109 N N . TYR B 2 16 ? -42.204 8.775 -13.498 1.00 67.85 ? 517 TYR B N 1 ATOM 2110 C CA . TYR B 2 16 ? -42.841 10.063 -13.765 1.00 67.56 ? 517 TYR B CA 1 ATOM 2111 C C . TYR B 2 16 ? -41.960 11.105 -14.446 1.00 66.44 ? 517 TYR B C 1 ATOM 2112 O O . TYR B 2 16 ? -40.739 11.049 -14.368 1.00 66.01 ? 517 TYR B O 1 ATOM 2113 C CB . TYR B 2 16 ? -43.473 10.637 -12.488 1.00 68.67 ? 517 TYR B CB 1 ATOM 2114 C CG . TYR B 2 16 ? -42.544 11.151 -11.402 1.00 68.26 ? 517 TYR B CG 1 ATOM 2115 C CD1 . TYR B 2 16 ? -42.116 12.468 -11.402 1.00 67.72 ? 517 TYR B CD1 1 ATOM 2116 C CD2 . TYR B 2 16 ? -42.158 10.338 -10.345 1.00 70.61 ? 517 TYR B CD2 1 ATOM 2117 C CE1 . TYR B 2 16 ? -41.298 12.957 -10.406 1.00 69.24 ? 517 TYR B CE1 1 ATOM 2118 C CE2 . TYR B 2 16 ? -41.335 10.816 -9.336 1.00 71.63 ? 517 TYR B CE2 1 ATOM 2119 C CZ . TYR B 2 16 ? -40.913 12.130 -9.371 1.00 70.94 ? 517 TYR B CZ 1 ATOM 2120 O OH . TYR B 2 16 ? -40.101 12.623 -8.380 1.00 72.42 ? 517 TYR B OH 1 ATOM 2121 N N . TRP B 2 17 ? -42.617 12.038 -15.132 1.00 65.16 ? 518 TRP B N 1 ATOM 2122 C CA . TRP B 2 17 ? -41.974 13.233 -15.660 1.00 65.64 ? 518 TRP B CA 1 ATOM 2123 C C . TRP B 2 17 ? -42.630 14.485 -15.084 1.00 65.02 ? 518 TRP B C 1 ATOM 2124 O O . TRP B 2 17 ? -43.820 14.482 -14.761 1.00 65.20 ? 518 TRP B O 1 ATOM 2125 C CB . TRP B 2 17 ? -42.011 13.272 -17.191 1.00 65.87 ? 518 TRP B CB 1 ATOM 2126 C CG . TRP B 2 17 ? -43.365 13.172 -17.808 1.00 65.25 ? 518 TRP B CG 1 ATOM 2127 C CD1 . TRP B 2 17 ? -43.945 12.052 -18.303 1.00 66.30 ? 518 TRP B CD1 1 ATOM 2128 C CD2 . TRP B 2 17 ? -44.301 14.236 -18.015 1.00 64.90 ? 518 TRP B CD2 1 ATOM 2129 N NE1 . TRP B 2 17 ? -45.189 12.341 -18.799 1.00 66.02 ? 518 TRP B NE1 1 ATOM 2130 C CE2 . TRP B 2 17 ? -45.434 13.677 -18.634 1.00 64.59 ? 518 TRP B CE2 1 ATOM 2131 C CE3 . TRP B 2 17 ? -44.294 15.607 -17.729 1.00 64.99 ? 518 TRP B CE3 1 ATOM 2132 C CZ2 . TRP B 2 17 ? -46.558 14.437 -18.967 1.00 64.23 ? 518 TRP B CZ2 1 ATOM 2133 C CZ3 . TRP B 2 17 ? -45.407 16.366 -18.064 1.00 64.16 ? 518 TRP B CZ3 1 ATOM 2134 C CH2 . TRP B 2 17 ? -46.529 15.777 -18.674 1.00 63.91 ? 518 TRP B CH2 1 ATOM 2135 N N . THR B 2 18 ? -41.843 15.550 -14.964 1.00 64.89 ? 519 THR B N 1 ATOM 2136 C CA . THR B 2 18 ? -42.348 16.857 -14.541 1.00 64.77 ? 519 THR B CA 1 ATOM 2137 C C . THR B 2 18 ? -41.307 17.923 -14.855 1.00 66.78 ? 519 THR B C 1 ATOM 2138 O O . THR B 2 18 ? -40.294 17.623 -15.479 1.00 66.89 ? 519 THR B O 1 ATOM 2139 C CB . THR B 2 18 ? -42.694 16.872 -13.040 1.00 64.40 ? 519 THR B CB 1 ATOM 2140 O OG1 . THR B 2 18 ? -43.390 18.074 -12.712 1.00 62.28 ? 519 THR B OG1 1 ATOM 2141 C CG2 . THR B 2 18 ? -41.433 16.732 -12.170 1.00 65.30 ? 519 THR B CG2 1 ATOM 2142 N N . THR B 2 19 ? -41.562 19.160 -14.434 1.00 69.14 ? 520 THR B N 1 ATOM 2143 C CA . THR B 2 19 ? -40.597 20.244 -14.587 1.00 72.89 ? 520 THR B CA 1 ATOM 2144 C C . THR B 2 19 ? -39.799 20.405 -13.294 1.00 80.35 ? 520 THR B C 1 ATOM 2145 O O . THR B 2 19 ? -40.222 19.934 -12.234 1.00 77.69 ? 520 THR B O 1 ATOM 2146 C CB . THR B 2 19 ? -41.289 21.565 -14.962 1.00 69.71 ? 520 THR B CB 1 ATOM 2147 O OG1 . THR B 2 19 ? -42.152 21.980 -13.902 1.00 69.04 ? 520 THR B OG1 1 ATOM 2148 C CG2 . THR B 2 19 ? -42.097 21.404 -16.226 1.00 68.36 ? 520 THR B CG2 1 ATOM 2149 N N . GLN B 2 20 ? -38.644 21.065 -13.388 1.00 91.03 ? 521 GLN B N 1 ATOM 2150 C CA . GLN B 2 20 ? -37.813 21.347 -12.209 1.00 99.94 ? 521 GLN B CA 1 ATOM 2151 C C . GLN B 2 20 ? -38.475 22.410 -11.319 1.00 105.99 ? 521 GLN B C 1 ATOM 2152 O O . GLN B 2 20 ? -38.927 23.443 -11.826 1.00 107.62 ? 521 GLN B O 1 ATOM 2153 C CB . GLN B 2 20 ? -36.427 21.828 -12.640 1.00 103.44 ? 521 GLN B CB 1 ATOM 2154 C CG . GLN B 2 20 ? -35.412 21.917 -11.511 1.00 106.84 ? 521 GLN B CG 1 ATOM 2155 C CD . GLN B 2 20 ? -34.874 20.561 -11.100 1.00 109.36 ? 521 GLN B CD 1 ATOM 2156 O OE1 . GLN B 2 20 ? -33.954 20.035 -11.727 1.00 111.32 ? 521 GLN B OE1 1 ATOM 2157 N NE2 . GLN B 2 20 ? -35.435 19.995 -10.034 1.00 109.61 ? 521 GLN B NE2 1 ATOM 2158 N N . ASP B 2 21 ? -38.551 22.133 -10.012 1.00 113.90 ? 522 ASP B N 1 ATOM 2159 C CA . ASP B 2 21 ? -39.063 23.093 -9.003 1.00 118.82 ? 522 ASP B CA 1 ATOM 2160 C C . ASP B 2 21 ? -38.009 23.614 -7.996 1.00 125.31 ? 522 ASP B C 1 ATOM 2161 O O . ASP B 2 21 ? -38.183 24.703 -7.439 1.00 124.79 ? 522 ASP B O 1 ATOM 2162 C CB . ASP B 2 21 ? -40.292 22.513 -8.262 1.00 116.88 ? 522 ASP B CB 1 ATOM 2163 C CG . ASP B 2 21 ? -39.942 21.395 -7.263 1.00 118.68 ? 522 ASP B CG 1 ATOM 2164 O OD1 . ASP B 2 21 ? -40.773 21.157 -6.360 1.00 116.91 ? 522 ASP B OD1 1 ATOM 2165 O OD2 . ASP B 2 21 ? -38.870 20.748 -7.371 1.00 118.87 ? 522 ASP B OD2 1 ATOM 2166 N N . GLU B 2 22 ? -36.941 22.838 -7.770 1.00 133.89 ? 523 GLU B N 1 ATOM 2167 C CA . GLU B 2 22 ? -35.873 23.175 -6.816 1.00 140.78 ? 523 GLU B CA 1 ATOM 2168 C C . GLU B 2 22 ? -34.509 23.165 -7.521 1.00 144.25 ? 523 GLU B C 1 ATOM 2169 O O . GLU B 2 22 ? -34.304 22.414 -8.480 1.00 148.33 ? 523 GLU B O 1 ATOM 2170 C CB . GLU B 2 22 ? -35.883 22.170 -5.649 1.00 143.79 ? 523 GLU B CB 1 ATOM 2171 C CG . GLU B 2 22 ? -34.959 22.487 -4.468 1.00 146.46 ? 523 GLU B CG 1 ATOM 2172 C CD . GLU B 2 22 ? -35.320 23.763 -3.707 1.00 147.12 ? 523 GLU B CD 1 ATOM 2173 O OE1 . GLU B 2 22 ? -36.463 24.258 -3.826 1.00 144.12 ? 523 GLU B OE1 1 ATOM 2174 O OE2 . GLU B 2 22 ? -34.447 24.275 -2.973 1.00 149.97 ? 523 GLU B OE2 1 ATOM 2175 N N . GLY B 2 23 ? -33.590 24.003 -7.039 1.00 144.74 ? 524 GLY B N 1 ATOM 2176 C CA . GLY B 2 23 ? -32.218 24.073 -7.553 1.00 144.64 ? 524 GLY B CA 1 ATOM 2177 C C . GLY B 2 23 ? -31.983 25.282 -8.443 1.00 144.46 ? 524 GLY B C 1 ATOM 2178 O O . GLY B 2 23 ? -32.823 25.617 -9.287 1.00 142.13 ? 524 GLY B O 1 ATOM 2179 N N . ALA B 2 24 ? -30.833 25.933 -8.254 1.00 145.28 ? 525 ALA B N 1 ATOM 2180 C CA . ALA B 2 24 ? -30.434 27.084 -9.069 1.00 142.73 ? 525 ALA B CA 1 ATOM 2181 C C . ALA B 2 24 ? -30.001 26.627 -10.463 1.00 139.02 ? 525 ALA B C 1 ATOM 2182 O O . ALA B 2 24 ? -29.461 25.530 -10.631 1.00 139.37 ? 525 ALA B O 1 ATOM 2183 C CB . ALA B 2 24 ? -29.307 27.855 -8.392 1.00 143.59 ? 525 ALA B CB 1 ATOM 2184 N N . ALA B 2 25 ? -30.244 27.480 -11.454 1.00 133.96 ? 526 ALA B N 1 ATOM 2185 C CA . ALA B 2 25 ? -29.896 27.195 -12.849 1.00 130.80 ? 526 ALA B CA 1 ATOM 2186 C C . ALA B 2 25 ? -28.386 27.279 -13.068 1.00 127.70 ? 526 ALA B C 1 ATOM 2187 O O . ALA B 2 25 ? -27.719 28.151 -12.502 1.00 124.28 ? 526 ALA B O 1 ATOM 2188 C CB . ALA B 2 25 ? -30.617 28.158 -13.782 1.00 129.27 ? 526 ALA B CB 1 ATOM 2189 N N . ILE B 2 26 ? -27.866 26.380 -13.906 1.00 124.51 ? 527 ILE B N 1 ATOM 2190 C CA . ILE B 2 26 ? -26.424 26.276 -14.152 1.00 125.64 ? 527 ILE B CA 1 ATOM 2191 C C . ILE B 2 26 ? -25.992 27.387 -15.126 1.00 120.42 ? 527 ILE B C 1 ATOM 2192 O O . ILE B 2 26 ? -26.137 27.248 -16.347 1.00 120.15 ? 527 ILE B O 1 ATOM 2193 C CB . ILE B 2 26 ? -26.019 24.863 -14.682 1.00 128.25 ? 527 ILE B CB 1 ATOM 2194 C CG1 . ILE B 2 26 ? -26.434 23.753 -13.687 1.00 128.15 ? 527 ILE B CG1 1 ATOM 2195 C CG2 . ILE B 2 26 ? -24.516 24.794 -14.969 1.00 128.77 ? 527 ILE B CG2 1 ATOM 2196 C CD1 . ILE B 2 26 ? -27.768 23.086 -13.976 1.00 127.31 ? 527 ILE B CD1 1 ATOM 2197 N N . GLY B 2 27 ? -25.479 28.490 -14.576 1.00 113.31 ? 528 GLY B N 1 ATOM 2198 C CA . GLY B 2 27 ? -25.012 29.621 -15.379 1.00 109.43 ? 528 GLY B CA 1 ATOM 2199 C C . GLY B 2 27 ? -26.146 30.363 -16.074 1.00 103.65 ? 528 GLY B C 1 ATOM 2200 O O . GLY B 2 27 ? -27.034 30.895 -15.407 1.00 99.24 ? 528 GLY B O 1 ATOM 2201 N N . LEU B 2 28 ? -26.120 30.373 -17.412 1.00 98.94 ? 529 LEU B N 1 ATOM 2202 C CA . LEU B 2 28 ? -27.101 31.101 -18.241 1.00 93.74 ? 529 LEU B CA 1 ATOM 2203 C C . LEU B 2 28 ? -28.297 30.265 -18.743 1.00 88.09 ? 529 LEU B C 1 ATOM 2204 O O . LEU B 2 28 ? -29.078 30.753 -19.557 1.00 85.46 ? 529 LEU B O 1 ATOM 2205 C CB . LEU B 2 28 ? -26.397 31.698 -19.465 1.00 95.54 ? 529 LEU B CB 1 ATOM 2206 C CG . LEU B 2 28 ? -25.161 32.573 -19.247 1.00 98.39 ? 529 LEU B CG 1 ATOM 2207 C CD1 . LEU B 2 28 ? -24.601 33.003 -20.600 1.00 99.19 ? 529 LEU B CD1 1 ATOM 2208 C CD2 . LEU B 2 28 ? -25.482 33.779 -18.373 1.00 97.57 ? 529 LEU B CD2 1 ATOM 2209 N N . ALA B 2 29 ? -28.454 29.031 -18.262 1.00 83.56 ? 530 ALA B N 1 ATOM 2210 C CA . ALA B 2 29 ? -29.455 28.107 -18.805 1.00 79.57 ? 530 ALA B CA 1 ATOM 2211 C C . ALA B 2 29 ? -30.903 28.572 -18.594 1.00 76.47 ? 530 ALA B C 1 ATOM 2212 O O . ALA B 2 29 ? -31.799 28.154 -19.319 1.00 76.00 ? 530 ALA B O 1 ATOM 2213 C CB . ALA B 2 29 ? -29.258 26.718 -18.217 1.00 79.77 ? 530 ALA B CB 1 ATOM 2214 N N . TRP B 2 30 ? -31.125 29.408 -17.585 1.00 73.92 ? 531 TRP B N 1 ATOM 2215 C CA . TRP B 2 30 ? -32.430 30.052 -17.344 1.00 69.75 ? 531 TRP B CA 1 ATOM 2216 C C . TRP B 2 30 ? -32.888 31.044 -18.418 1.00 68.61 ? 531 TRP B C 1 ATOM 2217 O O . TRP B 2 30 ? -34.086 31.267 -18.553 1.00 68.44 ? 531 TRP B O 1 ATOM 2218 C CB . TRP B 2 30 ? -32.425 30.774 -15.995 1.00 68.67 ? 531 TRP B CB 1 ATOM 2219 C CG . TRP B 2 30 ? -31.407 31.878 -15.879 1.00 68.24 ? 531 TRP B CG 1 ATOM 2220 C CD1 . TRP B 2 30 ? -30.127 31.761 -15.442 1.00 68.64 ? 531 TRP B CD1 1 ATOM 2221 C CD2 . TRP B 2 30 ? -31.602 33.259 -16.185 1.00 67.68 ? 531 TRP B CD2 1 ATOM 2222 N NE1 . TRP B 2 30 ? -29.504 32.978 -15.461 1.00 69.44 ? 531 TRP B NE1 1 ATOM 2223 C CE2 . TRP B 2 30 ? -30.385 33.921 -15.912 1.00 68.61 ? 531 TRP B CE2 1 ATOM 2224 C CE3 . TRP B 2 30 ? -32.685 34.003 -16.665 1.00 66.02 ? 531 TRP B CE3 1 ATOM 2225 C CZ2 . TRP B 2 30 ? -30.217 35.293 -16.100 1.00 68.13 ? 531 TRP B CZ2 1 ATOM 2226 C CZ3 . TRP B 2 30 ? -32.516 35.371 -16.858 1.00 66.38 ? 531 TRP B CZ3 1 ATOM 2227 C CH2 . TRP B 2 30 ? -31.287 36.000 -16.570 1.00 67.52 ? 531 TRP B CH2 1 ATOM 2228 N N . ILE B 2 31 ? -31.942 31.656 -19.136 1.00 69.00 ? 532 ILE B N 1 ATOM 2229 C CA . ILE B 2 31 ? -32.235 32.615 -20.220 1.00 68.03 ? 532 ILE B CA 1 ATOM 2230 C C . ILE B 2 31 ? -32.876 31.859 -21.384 1.00 67.51 ? 532 ILE B C 1 ATOM 2231 O O . ILE B 2 31 ? -32.237 30.958 -21.922 1.00 69.63 ? 532 ILE B O 1 ATOM 2232 C CB . ILE B 2 31 ? -30.945 33.307 -20.733 1.00 68.71 ? 532 ILE B CB 1 ATOM 2233 C CG1 . ILE B 2 31 ? -30.368 34.220 -19.659 1.00 69.69 ? 532 ILE B CG1 1 ATOM 2234 C CG2 . ILE B 2 31 ? -31.192 34.109 -22.003 1.00 68.33 ? 532 ILE B CG2 1 ATOM 2235 C CD1 . ILE B 2 31 ? -28.961 34.698 -19.957 1.00 72.26 ? 532 ILE B CD1 1 ATOM 2236 N N . PRO B 2 32 ? -34.120 32.226 -21.790 1.00 66.55 ? 533 PRO B N 1 ATOM 2237 C CA . PRO B 2 32 ? -34.813 31.414 -22.821 1.00 65.26 ? 533 PRO B CA 1 ATOM 2238 C C . PRO B 2 32 ? -34.057 31.286 -24.154 1.00 66.11 ? 533 PRO B C 1 ATOM 2239 O O . PRO B 2 32 ? -34.137 30.245 -24.807 1.00 65.35 ? 533 PRO B O 1 ATOM 2240 C CB . PRO B 2 32 ? -36.147 32.146 -23.020 1.00 63.69 ? 533 PRO B CB 1 ATOM 2241 C CG . PRO B 2 32 ? -36.350 32.935 -21.771 1.00 63.83 ? 533 PRO B CG 1 ATOM 2242 C CD . PRO B 2 32 ? -34.972 33.342 -21.325 1.00 65.58 ? 533 PRO B CD 1 ATOM 2243 N N . TYR B 2 33 ? -33.328 32.332 -24.535 1.00 66.94 ? 534 TYR B N 1 ATOM 2244 C CA . TYR B 2 33 ? -32.486 32.292 -25.729 1.00 68.91 ? 534 TYR B CA 1 ATOM 2245 C C . TYR B 2 33 ? -31.444 31.164 -25.690 1.00 69.52 ? 534 TYR B C 1 ATOM 2246 O O . TYR B 2 33 ? -31.179 30.533 -26.714 1.00 70.99 ? 534 TYR B O 1 ATOM 2247 C CB . TYR B 2 33 ? -31.778 33.637 -25.924 1.00 70.58 ? 534 TYR B CB 1 ATOM 2248 C CG . TYR B 2 33 ? -30.899 33.695 -27.150 1.00 72.18 ? 534 TYR B CG 1 ATOM 2249 C CD1 . TYR B 2 33 ? -29.512 33.748 -27.034 1.00 74.16 ? 534 TYR B CD1 1 ATOM 2250 C CD2 . TYR B 2 33 ? -31.455 33.675 -28.430 1.00 72.22 ? 534 TYR B CD2 1 ATOM 2251 C CE1 . TYR B 2 33 ? -28.700 33.797 -28.157 1.00 75.73 ? 534 TYR B CE1 1 ATOM 2252 C CE2 . TYR B 2 33 ? -30.651 33.719 -29.559 1.00 74.10 ? 534 TYR B CE2 1 ATOM 2253 C CZ . TYR B 2 33 ? -29.274 33.782 -29.416 1.00 75.80 ? 534 TYR B CZ 1 ATOM 2254 O OH . TYR B 2 33 ? -28.470 33.831 -30.526 1.00 77.29 ? 534 TYR B OH 1 ATOM 2255 N N . PHE B 2 34 ? -30.865 30.923 -24.517 1.00 68.76 ? 535 PHE B N 1 ATOM 2256 C CA . PHE B 2 34 ? -29.793 29.940 -24.354 1.00 69.40 ? 535 PHE B CA 1 ATOM 2257 C C . PHE B 2 34 ? -30.259 28.593 -23.821 1.00 69.67 ? 535 PHE B C 1 ATOM 2258 O O . PHE B 2 34 ? -29.576 27.590 -24.016 1.00 72.02 ? 535 PHE B O 1 ATOM 2259 C CB . PHE B 2 34 ? -28.722 30.485 -23.415 1.00 69.04 ? 535 PHE B CB 1 ATOM 2260 C CG . PHE B 2 34 ? -27.899 31.579 -24.013 1.00 69.15 ? 535 PHE B CG 1 ATOM 2261 C CD1 . PHE B 2 34 ? -26.996 31.296 -25.033 1.00 70.30 ? 535 PHE B CD1 1 ATOM 2262 C CD2 . PHE B 2 34 ? -28.004 32.887 -23.552 1.00 68.36 ? 535 PHE B CD2 1 ATOM 2263 C CE1 . PHE B 2 34 ? -26.216 32.299 -25.593 1.00 71.70 ? 535 PHE B CE1 1 ATOM 2264 C CE2 . PHE B 2 34 ? -27.225 33.895 -24.108 1.00 70.29 ? 535 PHE B CE2 1 ATOM 2265 C CZ . PHE B 2 34 ? -26.329 33.602 -25.130 1.00 71.62 ? 535 PHE B CZ 1 ATOM 2266 N N . GLY B 2 35 ? -31.404 28.565 -23.148 1.00 68.58 ? 536 GLY B N 1 ATOM 2267 C CA . GLY B 2 35 ? -31.849 27.377 -22.430 1.00 67.84 ? 536 GLY B CA 1 ATOM 2268 C C . GLY B 2 35 ? -32.337 26.253 -23.322 1.00 67.36 ? 536 GLY B C 1 ATOM 2269 O O . GLY B 2 35 ? -32.241 26.339 -24.545 1.00 66.83 ? 536 GLY B O 1 ATOM 2270 N N . PRO B 2 36 ? -32.874 25.190 -22.712 1.00 67.66 ? 537 PRO B N 1 ATOM 2271 C CA . PRO B 2 36 ? -33.328 24.046 -23.486 1.00 69.89 ? 537 PRO B CA 1 ATOM 2272 C C . PRO B 2 36 ? -34.596 24.337 -24.283 1.00 71.07 ? 537 PRO B C 1 ATOM 2273 O O . PRO B 2 36 ? -35.349 25.253 -23.947 1.00 70.13 ? 537 PRO B O 1 ATOM 2274 C CB . PRO B 2 36 ? -33.593 22.977 -22.419 1.00 69.19 ? 537 PRO B CB 1 ATOM 2275 C CG . PRO B 2 36 ? -33.908 23.746 -21.187 1.00 68.41 ? 537 PRO B CG 1 ATOM 2276 C CD . PRO B 2 36 ? -33.110 25.014 -21.267 1.00 68.24 ? 537 PRO B CD 1 ATOM 2277 N N . ALA B 2 37 ? -34.795 23.556 -25.342 1.00 73.69 ? 538 ALA B N 1 ATOM 2278 C CA . ALA B 2 37 ? -36.020 23.586 -26.124 1.00 74.59 ? 538 ALA B CA 1 ATOM 2279 C C . ALA B 2 37 ? -37.124 22.890 -25.336 1.00 76.18 ? 538 ALA B C 1 ATOM 2280 O O . ALA B 2 37 ? -36.851 22.255 -24.309 1.00 78.47 ? 538 ALA B O 1 ATOM 2281 C CB . ALA B 2 37 ? -35.808 22.890 -27.459 1.00 74.72 ? 538 ALA B CB 1 ATOM 2282 N N . ALA B 2 38 ? -38.357 22.985 -25.837 1.00 75.61 ? 539 ALA B N 1 ATOM 2283 C CA . ALA B 2 38 ? -39.524 22.340 -25.216 1.00 75.61 ? 539 ALA B CA 1 ATOM 2284 C C . ALA B 2 38 ? -39.307 20.874 -24.830 1.00 76.17 ? 539 ALA B C 1 ATOM 2285 O O . ALA B 2 38 ? -39.783 20.426 -23.788 1.00 77.39 ? 539 ALA B O 1 ATOM 2286 C CB . ALA B 2 38 ? -40.738 22.459 -26.131 1.00 75.95 ? 539 ALA B CB 1 ATOM 2287 N N . GLU B 2 39 ? -38.573 20.142 -25.662 1.00 77.57 ? 540 GLU B N 1 ATOM 2288 C CA . GLU B 2 39 ? -38.282 18.725 -25.421 1.00 78.31 ? 540 GLU B CA 1 ATOM 2289 C C . GLU B 2 39 ? -37.392 18.461 -24.193 1.00 75.36 ? 540 GLU B C 1 ATOM 2290 O O . GLU B 2 39 ? -37.426 17.350 -23.640 1.00 75.38 ? 540 GLU B O 1 ATOM 2291 C CB . GLU B 2 39 ? -37.629 18.090 -26.663 1.00 83.49 ? 540 GLU B CB 1 ATOM 2292 C CG . GLU B 2 39 ? -38.578 17.811 -27.833 1.00 87.54 ? 540 GLU B CG 1 ATOM 2293 C CD . GLU B 2 39 ? -38.968 19.039 -28.657 1.00 90.14 ? 540 GLU B CD 1 ATOM 2294 O OE1 . GLU B 2 39 ? -39.985 18.950 -29.386 1.00 90.82 ? 540 GLU B OE1 1 ATOM 2295 O OE2 . GLU B 2 39 ? -38.275 20.087 -28.590 1.00 92.84 ? 540 GLU B OE2 1 ATOM 2296 N N . GLY B 2 40 ? -36.606 19.462 -23.775 1.00 71.22 ? 541 GLY B N 1 ATOM 2297 C CA . GLY B 2 40 ? -35.585 19.286 -22.741 1.00 69.94 ? 541 GLY B CA 1 ATOM 2298 C C . GLY B 2 40 ? -35.762 20.037 -21.439 1.00 67.33 ? 541 GLY B C 1 ATOM 2299 O O . GLY B 2 40 ? -34.772 20.324 -20.765 1.00 67.25 ? 541 GLY B O 1 ATOM 2300 N N . ILE B 2 41 ? -37.007 20.327 -21.064 1.00 66.13 ? 542 ILE B N 1 ATOM 2301 C CA . ILE B 2 41 ? -37.313 21.006 -19.786 1.00 65.12 ? 542 ILE B CA 1 ATOM 2302 C C . ILE B 2 41 ? -37.745 20.048 -18.675 1.00 65.06 ? 542 ILE B C 1 ATOM 2303 O O . ILE B 2 41 ? -38.079 20.487 -17.582 1.00 66.50 ? 542 ILE B O 1 ATOM 2304 C CB . ILE B 2 41 ? -38.394 22.099 -19.959 1.00 64.49 ? 542 ILE B CB 1 ATOM 2305 C CG1 . ILE B 2 41 ? -39.789 21.491 -20.250 1.00 65.42 ? 542 ILE B CG1 1 ATOM 2306 C CG2 . ILE B 2 41 ? -37.980 23.064 -21.053 1.00 64.00 ? 542 ILE B CG2 1 ATOM 2307 C CD1 . ILE B 2 41 ? -40.920 22.495 -20.382 1.00 63.44 ? 542 ILE B CD1 1 ATOM 2308 N N . TYR B 2 42 ? -37.724 18.745 -18.943 1.00 66.50 ? 543 TYR B N 1 ATOM 2309 C CA . TYR B 2 42 ? -38.274 17.747 -18.031 1.00 65.35 ? 543 TYR B CA 1 ATOM 2310 C C . TYR B 2 42 ? -37.232 17.093 -17.135 1.00 66.21 ? 543 TYR B C 1 ATOM 2311 O O . TYR B 2 42 ? -36.079 16.935 -17.518 1.00 66.48 ? 543 TYR B O 1 ATOM 2312 C CB . TYR B 2 42 ? -38.986 16.663 -18.832 1.00 65.46 ? 543 TYR B CB 1 ATOM 2313 C CG . TYR B 2 42 ? -40.051 17.232 -19.724 1.00 64.71 ? 543 TYR B CG 1 ATOM 2314 C CD1 . TYR B 2 42 ? -41.259 17.673 -19.198 1.00 63.41 ? 543 TYR B CD1 1 ATOM 2315 C CD2 . TYR B 2 42 ? -39.842 17.363 -21.087 1.00 65.53 ? 543 TYR B CD2 1 ATOM 2316 C CE1 . TYR B 2 42 ? -42.235 18.213 -20.009 1.00 62.77 ? 543 TYR B CE1 1 ATOM 2317 C CE2 . TYR B 2 42 ? -40.811 17.902 -21.905 1.00 65.05 ? 543 TYR B CE2 1 ATOM 2318 C CZ . TYR B 2 42 ? -42.004 18.325 -21.358 1.00 63.27 ? 543 TYR B CZ 1 ATOM 2319 O OH . TYR B 2 42 ? -42.959 18.857 -22.174 1.00 63.65 ? 543 TYR B OH 1 ATOM 2320 N N . ILE B 2 43 ? -37.668 16.734 -15.933 1.00 66.76 ? 544 ILE B N 1 ATOM 2321 C CA . ILE B 2 43 ? -36.935 15.851 -15.039 1.00 67.79 ? 544 ILE B CA 1 ATOM 2322 C C . ILE B 2 43 ? -37.758 14.584 -14.874 1.00 69.31 ? 544 ILE B C 1 ATOM 2323 O O . ILE B 2 43 ? -38.914 14.521 -15.300 1.00 66.83 ? 544 ILE B O 1 ATOM 2324 C CB . ILE B 2 43 ? -36.655 16.484 -13.656 1.00 67.64 ? 544 ILE B CB 1 ATOM 2325 C CG1 . ILE B 2 43 ? -37.948 16.889 -12.930 1.00 66.31 ? 544 ILE B CG1 1 ATOM 2326 C CG2 . ILE B 2 43 ? -35.735 17.684 -13.810 1.00 67.46 ? 544 ILE B CG2 1 ATOM 2327 C CD1 . ILE B 2 43 ? -37.743 17.208 -11.463 1.00 66.31 ? 544 ILE B CD1 1 ATOM 2328 N N . GLU B 2 44 ? -37.147 13.575 -14.264 1.00 73.03 ? 545 GLU B N 1 ATOM 2329 C CA . GLU B 2 44 ? -37.815 12.308 -14.026 1.00 74.33 ? 545 GLU B CA 1 ATOM 2330 C C . GLU B 2 44 ? -37.589 11.816 -12.614 1.00 73.76 ? 545 GLU B C 1 ATOM 2331 O O . GLU B 2 44 ? -36.645 12.221 -11.944 1.00 75.45 ? 545 GLU B O 1 ATOM 2332 C CB . GLU B 2 44 ? -37.353 11.248 -15.028 1.00 77.27 ? 545 GLU B CB 1 ATOM 2333 C CG . GLU B 2 44 ? -35.866 10.948 -14.996 1.00 80.82 ? 545 GLU B CG 1 ATOM 2334 C CD . GLU B 2 44 ? -35.499 9.704 -15.780 1.00 85.23 ? 545 GLU B CD 1 ATOM 2335 O OE1 . GLU B 2 44 ? -36.223 8.684 -15.698 1.00 86.38 ? 545 GLU B OE1 1 ATOM 2336 O OE2 . GLU B 2 44 ? -34.462 9.739 -16.471 1.00 89.79 ? 545 GLU B OE2 1 ATOM 2337 N N . GLY B 2 45 ? -38.483 10.941 -12.175 1.00 72.78 ? 546 GLY B N 1 ATOM 2338 C CA . GLY B 2 45 ? -38.334 10.232 -10.920 1.00 72.68 ? 546 GLY B CA 1 ATOM 2339 C C . GLY B 2 45 ? -39.035 8.905 -11.030 1.00 73.21 ? 546 GLY B C 1 ATOM 2340 O O . GLY B 2 45 ? -39.817 8.690 -11.953 1.00 70.84 ? 546 GLY B O 1 ATOM 2341 N N . LEU B 2 46 ? -38.720 8.013 -10.096 1.00 76.84 ? 547 LEU B N 1 ATOM 2342 C CA . LEU B 2 46 ? -39.321 6.691 -10.026 1.00 79.13 ? 547 LEU B CA 1 ATOM 2343 C C . LEU B 2 46 ? -39.841 6.489 -8.621 1.00 80.90 ? 547 LEU B C 1 ATOM 2344 O O . LEU B 2 46 ? -39.110 6.694 -7.657 1.00 81.41 ? 547 LEU B O 1 ATOM 2345 C CB . LEU B 2 46 ? -38.294 5.613 -10.372 1.00 81.23 ? 547 LEU B CB 1 ATOM 2346 C CG . LEU B 2 46 ? -38.776 4.158 -10.437 1.00 83.03 ? 547 LEU B CG 1 ATOM 2347 C CD1 . LEU B 2 46 ? -39.991 4.001 -11.344 1.00 82.48 ? 547 LEU B CD1 1 ATOM 2348 C CD2 . LEU B 2 46 ? -37.641 3.258 -10.913 1.00 84.74 ? 547 LEU B CD2 1 ATOM 2349 N N . MET B 2 47 ? -41.107 6.095 -8.523 1.00 83.29 ? 548 MET B N 1 ATOM 2350 C CA . MET B 2 47 ? -41.792 5.884 -7.255 1.00 84.62 ? 548 MET B CA 1 ATOM 2351 C C . MET B 2 47 ? -42.348 4.473 -7.207 1.00 83.22 ? 548 MET B C 1 ATOM 2352 O O . MET B 2 47 ? -42.966 4.020 -8.169 1.00 82.09 ? 548 MET B O 1 ATOM 2353 C CB . MET B 2 47 ? -42.943 6.861 -7.135 1.00 87.96 ? 548 MET B CB 1 ATOM 2354 C CG . MET B 2 47 ? -42.607 8.135 -6.391 1.00 92.11 ? 548 MET B CG 1 ATOM 2355 S SD . MET B 2 47 ? -42.907 7.976 -4.624 1.00 100.21 ? 548 MET B SD 1 ATOM 2356 C CE . MET B 2 47 ? -44.625 7.469 -4.575 1.00 100.47 ? 548 MET B CE 1 ATOM 2357 N N . HIS B 2 48 ? -42.143 3.798 -6.079 1.00 82.09 ? 549 HIS B N 1 ATOM 2358 C CA . HIS B 2 48 ? -42.658 2.448 -5.872 1.00 81.64 ? 549 HIS B CA 1 ATOM 2359 C C . HIS B 2 48 ? -43.898 2.491 -4.996 1.00 79.50 ? 549 HIS B C 1 ATOM 2360 O O . HIS B 2 48 ? -44.220 3.539 -4.440 1.00 77.09 ? 549 HIS B O 1 ATOM 2361 C CB . HIS B 2 48 ? -41.564 1.571 -5.279 1.00 83.71 ? 549 HIS B CB 1 ATOM 2362 C CG . HIS B 2 48 ? -40.326 1.531 -6.120 1.00 84.78 ? 549 HIS B CG 1 ATOM 2363 N ND1 . HIS B 2 48 ? -40.331 1.076 -7.421 1.00 84.46 ? 549 HIS B ND1 1 ATOM 2364 C CD2 . HIS B 2 48 ? -39.054 1.914 -5.860 1.00 85.50 ? 549 HIS B CD2 1 ATOM 2365 C CE1 . HIS B 2 48 ? -39.112 1.167 -7.921 1.00 85.32 ? 549 HIS B CE1 1 ATOM 2366 N NE2 . HIS B 2 48 ? -38.318 1.672 -6.994 1.00 85.58 ? 549 HIS B NE2 1 ATOM 2367 N N . ASN B 2 49 ? -44.583 1.353 -4.863 1.00 80.07 ? 550 ASN B N 1 ATOM 2368 C CA . ASN B 2 49 ? -45.932 1.306 -4.277 1.00 79.23 ? 550 ASN B CA 1 ATOM 2369 C C . ASN B 2 49 ? -45.940 1.203 -2.747 1.00 81.08 ? 550 ASN B C 1 ATOM 2370 O O . ASN B 2 49 ? -46.731 0.447 -2.181 1.00 83.71 ? 550 ASN B O 1 ATOM 2371 C CB . ASN B 2 49 ? -46.735 0.149 -4.907 1.00 79.11 ? 550 ASN B CB 1 ATOM 2372 C CG . ASN B 2 49 ? -48.246 0.316 -4.768 1.00 78.21 ? 550 ASN B CG 1 ATOM 2373 O OD1 . ASN B 2 49 ? -48.769 1.429 -4.775 1.00 76.64 ? 550 ASN B OD1 1 ATOM 2374 N ND2 . ASN B 2 49 ? -48.954 -0.805 -4.645 1.00 79.71 ? 550 ASN B ND2 1 ATOM 2375 N N . GLN B 2 50 ? -45.086 1.983 -2.081 1.00 81.89 ? 551 GLN B N 1 ATOM 2376 C CA . GLN B 2 50 ? -45.057 2.059 -0.620 1.00 83.10 ? 551 GLN B CA 1 ATOM 2377 C C . GLN B 2 50 ? -46.375 2.665 -0.155 1.00 81.23 ? 551 GLN B C 1 ATOM 2378 O O . GLN B 2 50 ? -46.869 3.607 -0.770 1.00 79.66 ? 551 GLN B O 1 ATOM 2379 C CB . GLN B 2 50 ? -43.856 2.900 -0.151 1.00 84.80 ? 551 GLN B CB 1 ATOM 2380 C CG . GLN B 2 50 ? -43.731 3.121 1.360 1.00 88.12 ? 551 GLN B CG 1 ATOM 2381 C CD . GLN B 2 50 ? -43.588 1.839 2.190 1.00 92.03 ? 551 GLN B CD 1 ATOM 2382 O OE1 . GLN B 2 50 ? -43.179 0.777 1.694 1.00 94.23 ? 551 GLN B OE1 1 ATOM 2383 N NE2 . GLN B 2 50 ? -43.915 1.944 3.477 1.00 93.30 ? 551 GLN B NE2 1 ATOM 2384 N N . ASP B 2 51 ? -46.948 2.095 0.905 1.00 81.96 ? 552 ASP B N 1 ATOM 2385 C CA . ASP B 2 51 ? -48.275 2.476 1.425 1.00 82.44 ? 552 ASP B CA 1 ATOM 2386 C C . ASP B 2 51 ? -49.418 2.280 0.418 1.00 81.60 ? 552 ASP B C 1 ATOM 2387 O O . ASP B 2 51 ? -50.503 2.842 0.581 1.00 81.26 ? 552 ASP B O 1 ATOM 2388 C CB . ASP B 2 51 ? -48.268 3.928 1.946 1.00 81.50 ? 552 ASP B CB 1 ATOM 2389 C CG . ASP B 2 51 ? -47.312 4.137 3.111 1.00 83.45 ? 552 ASP B CG 1 ATOM 2390 O OD1 . ASP B 2 51 ? -46.833 5.285 3.269 1.00 83.96 ? 552 ASP B OD1 1 ATOM 2391 O OD2 . ASP B 2 51 ? -47.044 3.175 3.872 1.00 84.38 ? 552 ASP B OD2 1 ATOM 2392 N N . GLY B 2 52 ? -49.180 1.462 -0.608 1.00 81.41 ? 553 GLY B N 1 ATOM 2393 C CA . GLY B 2 52 ? -50.104 1.323 -1.725 1.00 80.37 ? 553 GLY B CA 1 ATOM 2394 C C . GLY B 2 52 ? -50.445 2.610 -2.449 1.00 77.66 ? 553 GLY B C 1 ATOM 2395 O O . GLY B 2 52 ? -51.498 2.696 -3.077 1.00 76.52 ? 553 GLY B O 1 ATOM 2396 N N . LEU B 2 53 ? -49.537 3.588 -2.388 1.00 77.62 ? 554 LEU B N 1 ATOM 2397 C CA . LEU B 2 53 ? -49.789 4.961 -2.861 1.00 74.91 ? 554 LEU B CA 1 ATOM 2398 C C . LEU B 2 53 ? -49.986 5.028 -4.368 1.00 72.32 ? 554 LEU B C 1 ATOM 2399 O O . LEU B 2 53 ? -50.911 5.668 -4.824 1.00 71.62 ? 554 LEU B O 1 ATOM 2400 C CB . LEU B 2 53 ? -48.655 5.900 -2.426 1.00 75.52 ? 554 LEU B CB 1 ATOM 2401 C CG . LEU B 2 53 ? -48.605 7.335 -2.977 1.00 76.04 ? 554 LEU B CG 1 ATOM 2402 C CD1 . LEU B 2 53 ? -49.896 8.122 -2.751 1.00 75.72 ? 554 LEU B CD1 1 ATOM 2403 C CD2 . LEU B 2 53 ? -47.428 8.073 -2.356 1.00 76.60 ? 554 LEU B CD2 1 ATOM 2404 N N . ILE B 2 54 ? -49.141 4.337 -5.127 1.00 72.55 ? 555 ILE B N 1 ATOM 2405 C CA . ILE B 2 54 ? -49.223 4.344 -6.593 1.00 70.94 ? 555 ILE B CA 1 ATOM 2406 C C . ILE B 2 54 ? -50.549 3.773 -7.070 1.00 70.92 ? 555 ILE B C 1 ATOM 2407 O O . ILE B 2 54 ? -51.193 4.363 -7.917 1.00 71.28 ? 555 ILE B O 1 ATOM 2408 C CB . ILE B 2 54 ? -48.059 3.557 -7.264 1.00 71.01 ? 555 ILE B CB 1 ATOM 2409 C CG1 . ILE B 2 54 ? -46.691 4.130 -6.860 1.00 70.97 ? 555 ILE B CG1 1 ATOM 2410 C CG2 . ILE B 2 54 ? -48.203 3.536 -8.785 1.00 69.72 ? 555 ILE B CG2 1 ATOM 2411 C CD1 . ILE B 2 54 ? -46.547 5.626 -7.055 1.00 69.99 ? 555 ILE B CD1 1 ATOM 2412 N N . CYS B 2 55 ? -50.957 2.632 -6.535 1.00 73.28 ? 556 CYS B N 1 ATOM 2413 C CA . CYS B 2 55 ? -52.216 2.020 -6.963 1.00 74.49 ? 556 CYS B CA 1 ATOM 2414 C C . CYS B 2 55 ? -53.426 2.855 -6.542 1.00 73.88 ? 556 CYS B C 1 ATOM 2415 O O . CYS B 2 55 ? -54.402 2.933 -7.287 1.00 74.65 ? 556 CYS B O 1 ATOM 2416 C CB . CYS B 2 55 ? -52.335 0.577 -6.466 1.00 76.58 ? 556 CYS B CB 1 ATOM 2417 S SG . CYS B 2 55 ? -51.168 -0.579 -7.243 1.00 79.08 ? 556 CYS B SG 1 ATOM 2418 N N . GLY B 2 56 ? -53.357 3.489 -5.372 1.00 73.37 ? 557 GLY B N 1 ATOM 2419 C CA . GLY B 2 56 ? -54.409 4.414 -4.924 1.00 72.12 ? 557 GLY B CA 1 ATOM 2420 C C . GLY B 2 56 ? -54.508 5.638 -5.819 1.00 69.97 ? 557 GLY B C 1 ATOM 2421 O O . GLY B 2 56 ? -55.598 6.077 -6.182 1.00 69.60 ? 557 GLY B O 1 ATOM 2422 N N . LEU B 2 57 ? -53.348 6.173 -6.169 1.00 68.48 ? 558 LEU B N 1 ATOM 2423 C CA . LEU B 2 57 ? -53.216 7.293 -7.091 1.00 67.11 ? 558 LEU B CA 1 ATOM 2424 C C . LEU B 2 57 ? -53.908 7.017 -8.432 1.00 66.25 ? 558 LEU B C 1 ATOM 2425 O O . LEU B 2 57 ? -54.634 7.865 -8.945 1.00 64.85 ? 558 LEU B O 1 ATOM 2426 C CB . LEU B 2 57 ? -51.723 7.572 -7.315 1.00 68.30 ? 558 LEU B CB 1 ATOM 2427 C CG . LEU B 2 57 ? -51.189 8.982 -7.516 1.00 69.48 ? 558 LEU B CG 1 ATOM 2428 C CD1 . LEU B 2 57 ? -51.777 9.978 -6.527 1.00 69.19 ? 558 LEU B CD1 1 ATOM 2429 C CD2 . LEU B 2 57 ? -49.673 8.920 -7.367 1.00 71.07 ? 558 LEU B CD2 1 ATOM 2430 N N . ARG B 2 58 ? -53.690 5.829 -8.990 1.00 66.71 ? 559 ARG B N 1 ATOM 2431 C CA . ARG B 2 58 ? -54.357 5.436 -10.237 1.00 66.93 ? 559 ARG B CA 1 ATOM 2432 C C . ARG B 2 58 ? -55.868 5.433 -10.073 1.00 67.34 ? 559 ARG B C 1 ATOM 2433 O O . ARG B 2 58 ? -56.586 5.964 -10.921 1.00 67.85 ? 559 ARG B O 1 ATOM 2434 C CB . ARG B 2 58 ? -53.896 4.061 -10.715 1.00 67.21 ? 559 ARG B CB 1 ATOM 2435 C CG . ARG B 2 58 ? -52.449 4.044 -11.143 1.00 67.28 ? 559 ARG B CG 1 ATOM 2436 C CD . ARG B 2 58 ? -52.030 2.734 -11.786 1.00 68.38 ? 559 ARG B CD 1 ATOM 2437 N NE . ARG B 2 58 ? -50.582 2.678 -11.920 1.00 67.87 ? 559 ARG B NE 1 ATOM 2438 C CZ . ARG B 2 58 ? -49.867 3.389 -12.790 1.00 67.79 ? 559 ARG B CZ 1 ATOM 2439 N NH1 . ARG B 2 58 ? -48.543 3.259 -12.795 1.00 68.24 ? 559 ARG B NH1 1 ATOM 2440 N NH2 . ARG B 2 58 ? -50.452 4.240 -13.648 1.00 67.22 ? 559 ARG B NH2 1 ATOM 2441 N N . GLN B 2 59 ? -56.328 4.845 -8.973 1.00 67.81 ? 560 GLN B N 1 ATOM 2442 C CA . GLN B 2 59 ? -57.745 4.810 -8.636 1.00 68.61 ? 560 GLN B CA 1 ATOM 2443 C C . GLN B 2 59 ? -58.315 6.182 -8.335 1.00 67.22 ? 560 GLN B C 1 ATOM 2444 O O . GLN B 2 59 ? -59.463 6.451 -8.673 1.00 67.49 ? 560 GLN B O 1 ATOM 2445 C CB . GLN B 2 59 ? -57.978 3.893 -7.435 1.00 70.64 ? 560 GLN B CB 1 ATOM 2446 C CG . GLN B 2 59 ? -59.434 3.694 -7.045 1.00 72.05 ? 560 GLN B CG 1 ATOM 2447 C CD . GLN B 2 59 ? -60.278 3.086 -8.147 1.00 73.63 ? 560 GLN B CD 1 ATOM 2448 O OE1 . GLN B 2 59 ? -59.787 2.321 -8.983 1.00 74.30 ? 560 GLN B OE1 1 ATOM 2449 N NE2 . GLN B 2 59 ? -61.562 3.422 -8.154 1.00 74.70 ? 560 GLN B NE2 1 ATOM 2450 N N . LEU B 2 60 ? -57.527 7.039 -7.691 1.00 66.68 ? 561 LEU B N 1 ATOM 2451 C CA . LEU B 2 60 ? -57.978 8.383 -7.344 1.00 66.12 ? 561 LEU B CA 1 ATOM 2452 C C . LEU B 2 60 ? -58.287 9.178 -8.597 1.00 66.53 ? 561 LEU B C 1 ATOM 2453 O O . LEU B 2 60 ? -59.350 9.807 -8.703 1.00 67.31 ? 561 LEU B O 1 ATOM 2454 C CB . LEU B 2 60 ? -56.931 9.118 -6.509 1.00 65.02 ? 561 LEU B CB 1 ATOM 2455 C CG . LEU B 2 60 ? -57.246 10.566 -6.102 1.00 63.90 ? 561 LEU B CG 1 ATOM 2456 C CD1 . LEU B 2 60 ? -58.548 10.670 -5.322 1.00 63.77 ? 561 LEU B CD1 1 ATOM 2457 C CD2 . LEU B 2 60 ? -56.100 11.150 -5.295 1.00 63.29 ? 561 LEU B CD2 1 ATOM 2458 N N . ALA B 2 61 ? -57.348 9.139 -9.540 1.00 66.92 ? 562 ALA B N 1 ATOM 2459 C CA . ALA B 2 61 ? -57.501 9.811 -10.831 1.00 65.11 ? 562 ALA B CA 1 ATOM 2460 C C . ALA B 2 61 ? -58.720 9.300 -11.610 1.00 65.07 ? 562 ALA B C 1 ATOM 2461 O O . ALA B 2 61 ? -59.417 10.080 -12.238 1.00 66.47 ? 562 ALA B O 1 ATOM 2462 C CB . ALA B 2 61 ? -56.231 9.664 -11.660 1.00 63.83 ? 562 ALA B CB 1 ATOM 2463 N N . ASN B 2 62 ? -58.972 8.000 -11.555 1.00 65.05 ? 563 ASN B N 1 ATOM 2464 C CA . ASN B 2 62 ? -60.140 7.416 -12.195 1.00 67.43 ? 563 ASN B CA 1 ATOM 2465 C C . ASN B 2 62 ? -61.429 7.988 -11.595 1.00 66.98 ? 563 ASN B C 1 ATOM 2466 O O . ASN B 2 62 ? -62.342 8.367 -12.329 1.00 66.00 ? 563 ASN B O 1 ATOM 2467 C CB . ASN B 2 62 ? -60.090 5.874 -12.074 1.00 70.75 ? 563 ASN B CB 1 ATOM 2468 C CG . ASN B 2 62 ? -61.395 5.195 -12.453 1.00 73.45 ? 563 ASN B CG 1 ATOM 2469 O OD1 . ASN B 2 62 ? -62.285 5.066 -11.626 1.00 72.21 ? 563 ASN B OD1 1 ATOM 2470 N ND2 . ASN B 2 62 ? -61.506 4.758 -13.697 1.00 78.92 ? 563 ASN B ND2 1 ATOM 2471 N N . GLU B 2 63 ? -61.487 8.031 -10.265 1.00 66.94 ? 564 GLU B N 1 ATOM 2472 C CA . GLU B 2 63 ? -62.657 8.535 -9.532 1.00 66.82 ? 564 GLU B CA 1 ATOM 2473 C C . GLU B 2 63 ? -62.860 10.039 -9.656 1.00 64.57 ? 564 GLU B C 1 ATOM 2474 O O . GLU B 2 63 ? -63.976 10.524 -9.530 1.00 64.44 ? 564 GLU B O 1 ATOM 2475 C CB . GLU B 2 63 ? -62.541 8.183 -8.055 1.00 68.83 ? 564 GLU B CB 1 ATOM 2476 C CG . GLU B 2 63 ? -62.702 6.699 -7.780 1.00 71.87 ? 564 GLU B CG 1 ATOM 2477 C CD . GLU B 2 63 ? -62.497 6.347 -6.324 1.00 74.67 ? 564 GLU B CD 1 ATOM 2478 O OE1 . GLU B 2 63 ? -62.322 7.281 -5.498 1.00 76.79 ? 564 GLU B OE1 1 ATOM 2479 O OE2 . GLU B 2 63 ? -62.511 5.136 -6.008 1.00 75.56 ? 564 GLU B OE2 1 ATOM 2480 N N . THR B 2 64 ? -61.772 10.770 -9.880 1.00 62.66 ? 565 THR B N 1 ATOM 2481 C CA . THR B 2 64 ? -61.812 12.218 -10.084 1.00 60.73 ? 565 THR B CA 1 ATOM 2482 C C . THR B 2 64 ? -62.538 12.619 -11.383 1.00 59.76 ? 565 THR B C 1 ATOM 2483 O O . THR B 2 64 ? -63.086 13.722 -11.481 1.00 57.53 ? 565 THR B O 1 ATOM 2484 C CB . THR B 2 64 ? -60.369 12.774 -10.081 1.00 59.07 ? 565 THR B CB 1 ATOM 2485 O OG1 . THR B 2 64 ? -59.779 12.527 -8.802 1.00 61.27 ? 565 THR B OG1 1 ATOM 2486 C CG2 . THR B 2 64 ? -60.322 14.255 -10.362 1.00 57.30 ? 565 THR B CG2 1 ATOM 2487 N N . THR B 2 65 ? -62.558 11.719 -12.363 1.00 60.32 ? 566 THR B N 1 ATOM 2488 C CA . THR B 2 65 ? -62.940 12.076 -13.718 1.00 61.24 ? 566 THR B CA 1 ATOM 2489 C C . THR B 2 65 ? -64.356 12.620 -13.854 1.00 62.24 ? 566 THR B C 1 ATOM 2490 O O . THR B 2 65 ? -64.575 13.569 -14.595 1.00 61.97 ? 566 THR B O 1 ATOM 2491 C CB . THR B 2 65 ? -62.764 10.893 -14.683 1.00 62.24 ? 566 THR B CB 1 ATOM 2492 O OG1 . THR B 2 65 ? -61.545 10.208 -14.381 1.00 62.41 ? 566 THR B OG1 1 ATOM 2493 C CG2 . THR B 2 65 ? -62.717 11.385 -16.135 1.00 62.82 ? 566 THR B CG2 1 ATOM 2494 N N . GLN B 2 66 ? -65.309 12.028 -13.146 1.00 65.01 ? 567 GLN B N 1 ATOM 2495 C CA . GLN B 2 66 ? -66.702 12.468 -13.242 1.00 66.91 ? 567 GLN B CA 1 ATOM 2496 C C . GLN B 2 66 ? -66.889 13.927 -12.788 1.00 65.33 ? 567 GLN B C 1 ATOM 2497 O O . GLN B 2 66 ? -67.389 14.764 -13.547 1.00 63.38 ? 567 GLN B O 1 ATOM 2498 C CB . GLN B 2 66 ? -67.621 11.544 -12.442 1.00 69.86 ? 567 GLN B CB 1 ATOM 2499 C CG . GLN B 2 66 ? -69.044 12.076 -12.362 1.00 72.93 ? 567 GLN B CG 1 ATOM 2500 C CD . GLN B 2 66 ? -70.055 11.086 -11.842 1.00 76.22 ? 567 GLN B CD 1 ATOM 2501 O OE1 . GLN B 2 66 ? -69.797 9.889 -11.725 1.00 77.96 ? 567 GLN B OE1 1 ATOM 2502 N NE2 . GLN B 2 66 ? -71.230 11.594 -11.525 1.00 78.47 ? 567 GLN B NE2 1 ATOM 2503 N N . ALA B 2 67 ? -66.508 14.198 -11.542 1.00 64.90 ? 568 ALA B N 1 ATOM 2504 C CA . ALA B 2 67 ? -66.553 15.548 -10.977 1.00 64.70 ? 568 ALA B CA 1 ATOM 2505 C C . ALA B 2 67 ? -65.794 16.543 -11.840 1.00 63.45 ? 568 ALA B C 1 ATOM 2506 O O . ALA B 2 67 ? -66.273 17.657 -12.075 1.00 63.81 ? 568 ALA B O 1 ATOM 2507 C CB . ALA B 2 67 ? -65.978 15.560 -9.567 1.00 65.06 ? 568 ALA B CB 1 ATOM 2508 N N . LEU B 2 68 ? -64.617 16.135 -12.309 1.00 62.43 ? 569 LEU B N 1 ATOM 2509 C CA . LEU B 2 68 ? -63.777 17.008 -13.120 1.00 61.14 ? 569 LEU B CA 1 ATOM 2510 C C . LEU B 2 68 ? -64.459 17.319 -14.441 1.00 60.83 ? 569 LEU B C 1 ATOM 2511 O O . LEU B 2 68 ? -64.502 18.470 -14.850 1.00 60.79 ? 569 LEU B O 1 ATOM 2512 C CB . LEU B 2 68 ? -62.388 16.392 -13.346 1.00 59.81 ? 569 LEU B CB 1 ATOM 2513 C CG . LEU B 2 68 ? -61.384 17.247 -14.113 1.00 59.08 ? 569 LEU B CG 1 ATOM 2514 C CD1 . LEU B 2 68 ? -61.246 18.631 -13.513 1.00 59.42 ? 569 LEU B CD1 1 ATOM 2515 C CD2 . LEU B 2 68 ? -60.031 16.569 -14.167 1.00 59.53 ? 569 LEU B CD2 1 ATOM 2516 N N . GLN B 2 69 ? -65.006 16.293 -15.090 1.00 61.82 ? 570 GLN B N 1 ATOM 2517 C CA . GLN B 2 69 ? -65.696 16.467 -16.374 1.00 61.84 ? 570 GLN B CA 1 ATOM 2518 C C . GLN B 2 69 ? -66.920 17.368 -16.238 1.00 60.96 ? 570 GLN B C 1 ATOM 2519 O O . GLN B 2 69 ? -67.131 18.237 -17.079 1.00 60.67 ? 570 GLN B O 1 ATOM 2520 C CB . GLN B 2 69 ? -66.094 15.115 -17.015 1.00 63.30 ? 570 GLN B CB 1 ATOM 2521 C CG . GLN B 2 69 ? -64.943 14.299 -17.590 1.00 63.38 ? 570 GLN B CG 1 ATOM 2522 C CD . GLN B 2 69 ? -64.366 14.850 -18.887 1.00 63.75 ? 570 GLN B CD 1 ATOM 2523 O OE1 . GLN B 2 69 ? -64.557 16.022 -19.239 1.00 65.22 ? 570 GLN B OE1 1 ATOM 2524 N NE2 . GLN B 2 69 ? -63.630 14.004 -19.598 1.00 63.66 ? 570 GLN B NE2 1 ATOM 2525 N N . LEU B 2 70 ? -67.705 17.168 -15.181 1.00 61.06 ? 571 LEU B N 1 ATOM 2526 C CA . LEU B 2 70 ? -68.871 18.030 -14.910 1.00 61.74 ? 571 LEU B CA 1 ATOM 2527 C C . LEU B 2 70 ? -68.471 19.482 -14.649 1.00 61.08 ? 571 LEU B C 1 ATOM 2528 O O . LEU B 2 70 ? -69.174 20.405 -15.049 1.00 61.75 ? 571 LEU B O 1 ATOM 2529 C CB . LEU B 2 70 ? -69.688 17.499 -13.733 1.00 61.77 ? 571 LEU B CB 1 ATOM 2530 C CG . LEU B 2 70 ? -70.374 16.169 -14.032 1.00 63.27 ? 571 LEU B CG 1 ATOM 2531 C CD1 . LEU B 2 70 ? -70.910 15.550 -12.752 1.00 64.98 ? 571 LEU B CD1 1 ATOM 2532 C CD2 . LEU B 2 70 ? -71.480 16.334 -15.061 1.00 63.46 ? 571 LEU B CD2 1 ATOM 2533 N N . PHE B 2 71 ? -67.340 19.675 -13.983 1.00 59.85 ? 572 PHE B N 1 ATOM 2534 C CA . PHE B 2 71 ? -66.826 21.005 -13.741 1.00 58.54 ? 572 PHE B CA 1 ATOM 2535 C C . PHE B 2 71 ? -66.446 21.679 -15.055 1.00 59.22 ? 572 PHE B C 1 ATOM 2536 O O . PHE B 2 71 ? -66.770 22.845 -15.263 1.00 60.23 ? 572 PHE B O 1 ATOM 2537 C CB . PHE B 2 71 ? -65.640 20.947 -12.786 1.00 57.34 ? 572 PHE B CB 1 ATOM 2538 C CG . PHE B 2 71 ? -64.902 22.239 -12.665 1.00 56.57 ? 572 PHE B CG 1 ATOM 2539 C CD1 . PHE B 2 71 ? -65.339 23.222 -11.790 1.00 56.87 ? 572 PHE B CD1 1 ATOM 2540 C CD2 . PHE B 2 71 ? -63.772 22.475 -13.425 1.00 55.41 ? 572 PHE B CD2 1 ATOM 2541 C CE1 . PHE B 2 71 ? -64.663 24.416 -11.678 1.00 55.89 ? 572 PHE B CE1 1 ATOM 2542 C CE2 . PHE B 2 71 ? -63.092 23.669 -13.319 1.00 54.94 ? 572 PHE B CE2 1 ATOM 2543 C CZ . PHE B 2 71 ? -63.535 24.641 -12.444 1.00 55.33 ? 572 PHE B CZ 1 ATOM 2544 N N . LEU B 2 72 ? -65.784 20.938 -15.942 1.00 59.86 ? 573 LEU B N 1 ATOM 2545 C CA . LEU B 2 72 ? -65.394 21.466 -17.252 1.00 59.20 ? 573 LEU B CA 1 ATOM 2546 C C . LEU B 2 72 ? -66.592 21.755 -18.170 1.00 60.49 ? 573 LEU B C 1 ATOM 2547 O O . LEU B 2 72 ? -66.541 22.680 -18.978 1.00 60.51 ? 573 LEU B O 1 ATOM 2548 C CB . LEU B 2 72 ? -64.395 20.528 -17.935 1.00 58.30 ? 573 LEU B CB 1 ATOM 2549 C CG . LEU B 2 72 ? -63.039 20.410 -17.228 1.00 58.67 ? 573 LEU B CG 1 ATOM 2550 C CD1 . LEU B 2 72 ? -62.160 19.381 -17.923 1.00 59.05 ? 573 LEU B CD1 1 ATOM 2551 C CD2 . LEU B 2 72 ? -62.316 21.753 -17.150 1.00 57.85 ? 573 LEU B CD2 1 ATOM 2552 N N . ARG B 2 73 ? -67.664 20.973 -18.051 1.00 61.83 ? 574 ARG B N 1 ATOM 2553 C CA . ARG B 2 73 ? -68.911 21.267 -18.761 1.00 62.03 ? 574 ARG B CA 1 ATOM 2554 C C . ARG B 2 73 ? -69.494 22.617 -18.316 1.00 62.98 ? 574 ARG B C 1 ATOM 2555 O O . ARG B 2 73 ? -69.999 23.384 -19.145 1.00 64.76 ? 574 ARG B O 1 ATOM 2556 C CB . ARG B 2 73 ? -69.930 20.148 -18.530 1.00 63.91 ? 574 ARG B CB 1 ATOM 2557 C CG . ARG B 2 73 ? -71.313 20.406 -19.124 1.00 65.86 ? 574 ARG B CG 1 ATOM 2558 C CD . ARG B 2 73 ? -72.290 19.347 -18.681 1.00 66.98 ? 574 ARG B CD 1 ATOM 2559 N NE . ARG B 2 73 ? -71.937 18.052 -19.244 1.00 68.27 ? 574 ARG B NE 1 ATOM 2560 C CZ . ARG B 2 73 ? -72.485 16.890 -18.890 1.00 69.36 ? 574 ARG B CZ 1 ATOM 2561 N NH1 . ARG B 2 73 ? -73.422 16.844 -17.952 1.00 72.14 ? 574 ARG B NH1 1 ATOM 2562 N NH2 . ARG B 2 73 ? -72.084 15.761 -19.474 1.00 68.39 ? 574 ARG B NH2 1 ATOM 2563 N N . ALA B 2 74 ? -69.425 22.898 -17.015 1.00 61.59 ? 575 ALA B N 1 ATOM 2564 C CA . ALA B 2 74 ? -70.014 24.112 -16.452 1.00 61.32 ? 575 ALA B CA 1 ATOM 2565 C C . ALA B 2 74 ? -69.157 25.379 -16.598 1.00 59.90 ? 575 ALA B C 1 ATOM 2566 O O . ALA B 2 74 ? -69.675 26.479 -16.431 1.00 60.63 ? 575 ALA B O 1 ATOM 2567 C CB . ALA B 2 74 ? -70.368 23.887 -14.994 1.00 61.40 ? 575 ALA B CB 1 ATOM 2568 N N . THR B 2 75 ? -67.867 25.243 -16.888 1.00 58.80 ? 576 THR B N 1 ATOM 2569 C CA . THR B 2 75 ? -67.012 26.424 -17.108 1.00 59.48 ? 576 THR B CA 1 ATOM 2570 C C . THR B 2 75 ? -67.019 26.817 -18.575 1.00 60.45 ? 576 THR B C 1 ATOM 2571 O O . THR B 2 75 ? -67.163 25.959 -19.436 1.00 62.74 ? 576 THR B O 1 ATOM 2572 C CB . THR B 2 75 ? -65.557 26.221 -16.622 1.00 58.85 ? 576 THR B CB 1 ATOM 2573 O OG1 . THR B 2 75 ? -64.865 27.468 -16.667 1.00 59.28 ? 576 THR B OG1 1 ATOM 2574 C CG2 . THR B 2 75 ? -64.777 25.214 -17.476 1.00 59.39 ? 576 THR B CG2 1 ATOM 2575 N N . THR B 2 76 ? -66.893 28.114 -18.842 1.00 61.55 ? 577 THR B N 1 ATOM 2576 C CA . THR B 2 76 ? -66.723 28.636 -20.203 1.00 62.47 ? 577 THR B CA 1 ATOM 2577 C C . THR B 2 76 ? -65.270 28.965 -20.532 1.00 61.53 ? 577 THR B C 1 ATOM 2578 O O . THR B 2 76 ? -64.993 29.340 -21.672 1.00 62.01 ? 577 THR B O 1 ATOM 2579 C CB . THR B 2 76 ? -67.542 29.924 -20.430 1.00 64.25 ? 577 THR B CB 1 ATOM 2580 O OG1 . THR B 2 76 ? -67.149 30.908 -19.466 1.00 63.64 ? 577 THR B OG1 1 ATOM 2581 C CG2 . THR B 2 76 ? -69.033 29.646 -20.304 1.00 66.01 ? 577 THR B CG2 1 ATOM 2582 N N . GLU B 2 77 ? -64.357 28.867 -19.554 1.00 60.73 ? 578 GLU B N 1 ATOM 2583 C CA . GLU B 2 77 ? -62.915 28.928 -19.839 1.00 60.89 ? 578 GLU B CA 1 ATOM 2584 C C . GLU B 2 77 ? -62.517 27.788 -20.760 1.00 59.38 ? 578 GLU B C 1 ATOM 2585 O O . GLU B 2 77 ? -62.903 26.631 -20.548 1.00 57.63 ? 578 GLU B O 1 ATOM 2586 C CB . GLU B 2 77 ? -62.058 28.798 -18.577 1.00 63.37 ? 578 GLU B CB 1 ATOM 2587 C CG . GLU B 2 77 ? -62.023 30.009 -17.684 1.00 65.01 ? 578 GLU B CG 1 ATOM 2588 C CD . GLU B 2 77 ? -60.742 30.105 -16.881 1.00 65.31 ? 578 GLU B CD 1 ATOM 2589 O OE1 . GLU B 2 77 ? -59.783 30.745 -17.366 1.00 66.82 ? 578 GLU B OE1 1 ATOM 2590 O OE2 . GLU B 2 77 ? -60.712 29.571 -15.754 1.00 65.41 ? 578 GLU B OE2 1 ATOM 2591 N N . LEU B 2 78 ? -61.711 28.118 -21.756 1.00 59.27 ? 579 LEU B N 1 ATOM 2592 C CA . LEU B 2 78 ? -61.242 27.134 -22.719 1.00 60.00 ? 579 LEU B CA 1 ATOM 2593 C C . LEU B 2 78 ? -60.201 26.240 -22.057 1.00 59.53 ? 579 LEU B C 1 ATOM 2594 O O . LEU B 2 78 ? -60.228 25.019 -22.228 1.00 61.48 ? 579 LEU B O 1 ATOM 2595 C CB . LEU B 2 78 ? -60.675 27.827 -23.961 1.00 60.11 ? 579 LEU B CB 1 ATOM 2596 C CG . LEU B 2 78 ? -61.655 28.768 -24.679 1.00 61.72 ? 579 LEU B CG 1 ATOM 2597 C CD1 . LEU B 2 78 ? -60.969 29.406 -25.875 1.00 62.21 ? 579 LEU B CD1 1 ATOM 2598 C CD2 . LEU B 2 78 ? -62.938 28.053 -25.095 1.00 61.92 ? 579 LEU B CD2 1 ATOM 2599 N N . ARG B 2 79 ? -59.319 26.858 -21.277 1.00 57.13 ? 580 ARG B N 1 ATOM 2600 C CA . ARG B 2 79 ? -58.287 26.160 -20.543 1.00 56.08 ? 580 ARG B CA 1 ATOM 2601 C C . ARG B 2 79 ? -58.344 26.583 -19.092 1.00 55.27 ? 580 ARG B C 1 ATOM 2602 O O . ARG B 2 79 ? -58.254 27.769 -18.794 1.00 56.41 ? 580 ARG B O 1 ATOM 2603 C CB . ARG B 2 79 ? -56.926 26.522 -21.114 1.00 56.95 ? 580 ARG B CB 1 ATOM 2604 C CG . ARG B 2 79 ? -56.868 26.390 -22.618 1.00 57.96 ? 580 ARG B CG 1 ATOM 2605 C CD . ARG B 2 79 ? -55.461 26.597 -23.119 1.00 59.24 ? 580 ARG B CD 1 ATOM 2606 N NE . ARG B 2 79 ? -55.457 26.629 -24.566 1.00 60.89 ? 580 ARG B NE 1 ATOM 2607 C CZ . ARG B 2 79 ? -54.375 26.716 -25.324 1.00 62.02 ? 580 ARG B CZ 1 ATOM 2608 N NH1 . ARG B 2 79 ? -53.160 26.777 -24.788 1.00 62.16 ? 580 ARG B NH1 1 ATOM 2609 N NH2 . ARG B 2 79 ? -54.521 26.744 -26.642 1.00 63.71 ? 580 ARG B NH2 1 ATOM 2610 N N . THR B 2 80 ? -58.451 25.611 -18.193 1.00 54.86 ? 581 THR B N 1 ATOM 2611 C CA . THR B 2 80 ? -58.578 25.872 -16.772 1.00 54.59 ? 581 THR B CA 1 ATOM 2612 C C . THR B 2 80 ? -57.261 25.608 -16.023 1.00 54.72 ? 581 THR B C 1 ATOM 2613 O O . THR B 2 80 ? -56.793 24.476 -15.944 1.00 56.54 ? 581 THR B O 1 ATOM 2614 C CB . THR B 2 80 ? -59.719 25.032 -16.178 1.00 55.58 ? 581 THR B CB 1 ATOM 2615 O OG1 . THR B 2 80 ? -60.948 25.344 -16.854 1.00 55.52 ? 581 THR B OG1 1 ATOM 2616 C CG2 . THR B 2 80 ? -59.874 25.310 -14.700 1.00 56.33 ? 581 THR B CG2 1 ATOM 2617 N N . PHE B 2 81 ? -56.690 26.675 -15.467 1.00 54.29 ? 582 PHE B N 1 ATOM 2618 C CA . PHE B 2 81 ? -55.473 26.631 -14.653 1.00 52.88 ? 582 PHE B CA 1 ATOM 2619 C C . PHE B 2 81 ? -55.696 26.948 -13.166 1.00 54.00 ? 582 PHE B C 1 ATOM 2620 O O . PHE B 2 81 ? -54.752 26.934 -12.404 1.00 54.25 ? 582 PHE B O 1 ATOM 2621 C CB . PHE B 2 81 ? -54.465 27.630 -15.210 1.00 52.01 ? 582 PHE B CB 1 ATOM 2622 C CG . PHE B 2 81 ? -53.974 27.296 -16.588 1.00 51.83 ? 582 PHE B CG 1 ATOM 2623 C CD1 . PHE B 2 81 ? -52.812 26.554 -16.758 1.00 51.58 ? 582 PHE B CD1 1 ATOM 2624 C CD2 . PHE B 2 81 ? -54.653 27.739 -17.713 1.00 52.36 ? 582 PHE B CD2 1 ATOM 2625 C CE1 . PHE B 2 81 ? -52.337 26.251 -18.013 1.00 51.68 ? 582 PHE B CE1 1 ATOM 2626 C CE2 . PHE B 2 81 ? -54.192 27.424 -18.985 1.00 52.92 ? 582 PHE B CE2 1 ATOM 2627 C CZ . PHE B 2 81 ? -53.025 26.675 -19.131 1.00 52.80 ? 582 PHE B CZ 1 ATOM 2628 N N . SER B 2 82 ? -56.931 27.206 -12.739 1.00 55.78 ? 583 SER B N 1 ATOM 2629 C CA . SER B 2 82 ? -57.188 27.739 -11.392 1.00 56.01 ? 583 SER B CA 1 ATOM 2630 C C . SER B 2 82 ? -57.682 26.726 -10.349 1.00 54.85 ? 583 SER B C 1 ATOM 2631 O O . SER B 2 82 ? -57.900 27.098 -9.201 1.00 55.16 ? 583 SER B O 1 ATOM 2632 C CB . SER B 2 82 ? -58.192 28.884 -11.505 1.00 57.81 ? 583 SER B CB 1 ATOM 2633 O OG . SER B 2 82 ? -59.385 28.426 -12.140 1.00 62.36 ? 583 SER B OG 1 ATOM 2634 N N . ILE B 2 83 ? -57.837 25.456 -10.710 1.00 54.31 ? 584 ILE B N 1 ATOM 2635 C CA . ILE B 2 83 ? -58.384 24.469 -9.767 1.00 54.78 ? 584 ILE B CA 1 ATOM 2636 C C . ILE B 2 83 ? -57.601 24.388 -8.455 1.00 55.29 ? 584 ILE B C 1 ATOM 2637 O O . ILE B 2 83 ? -58.213 24.449 -7.388 1.00 57.62 ? 584 ILE B O 1 ATOM 2638 C CB . ILE B 2 83 ? -58.532 23.053 -10.387 1.00 55.35 ? 584 ILE B CB 1 ATOM 2639 C CG1 . ILE B 2 83 ? -59.637 23.043 -11.448 1.00 55.13 ? 584 ILE B CG1 1 ATOM 2640 C CG2 . ILE B 2 83 ? -58.876 22.009 -9.316 1.00 56.56 ? 584 ILE B CG2 1 ATOM 2641 C CD1 . ILE B 2 83 ? -59.665 21.775 -12.288 1.00 55.61 ? 584 ILE B CD1 1 ATOM 2642 N N . LEU B 2 84 ? -56.275 24.261 -8.514 1.00 55.88 ? 585 LEU B N 1 ATOM 2643 C CA . LEU B 2 84 ? -55.485 24.164 -7.275 1.00 57.12 ? 585 LEU B CA 1 ATOM 2644 C C . LEU B 2 84 ? -55.507 25.427 -6.412 1.00 57.64 ? 585 LEU B C 1 ATOM 2645 O O . LEU B 2 84 ? -55.645 25.324 -5.187 1.00 58.36 ? 585 LEU B O 1 ATOM 2646 C CB . LEU B 2 84 ? -54.048 23.718 -7.552 1.00 58.39 ? 585 LEU B CB 1 ATOM 2647 C CG . LEU B 2 84 ? -53.910 22.279 -8.088 1.00 59.65 ? 585 LEU B CG 1 ATOM 2648 C CD1 . LEU B 2 84 ? -52.440 21.948 -8.255 1.00 60.01 ? 585 LEU B CD1 1 ATOM 2649 C CD2 . LEU B 2 84 ? -54.615 21.221 -7.235 1.00 59.31 ? 585 LEU B CD2 1 ATOM 2650 N N . ASN B 2 85 ? -55.398 26.609 -7.024 1.00 57.78 ? 586 ASN B N 1 ATOM 2651 C CA . ASN B 2 85 ? -55.525 27.869 -6.260 1.00 58.10 ? 586 ASN B CA 1 ATOM 2652 C C . ASN B 2 85 ? -56.881 27.986 -5.578 1.00 58.25 ? 586 ASN B C 1 ATOM 2653 O O . ASN B 2 85 ? -56.969 28.448 -4.446 1.00 56.75 ? 586 ASN B O 1 ATOM 2654 C CB . ASN B 2 85 ? -55.299 29.096 -7.141 1.00 58.45 ? 586 ASN B CB 1 ATOM 2655 C CG . ASN B 2 85 ? -53.831 29.369 -7.414 1.00 59.42 ? 586 ASN B CG 1 ATOM 2656 O OD1 . ASN B 2 85 ? -52.932 28.728 -6.859 1.00 62.06 ? 586 ASN B OD1 1 ATOM 2657 N ND2 . ASN B 2 85 ? -53.581 30.333 -8.277 1.00 59.98 ? 586 ASN B ND2 1 ATOM 2658 N N . ARG B 2 86 ? -57.932 27.551 -6.266 1.00 59.95 ? 587 ARG B N 1 ATOM 2659 C CA . ARG B 2 86 ? -59.265 27.570 -5.695 1.00 60.74 ? 587 ARG B CA 1 ATOM 2660 C C . ARG B 2 86 ? -59.383 26.591 -4.533 1.00 61.20 ? 587 ARG B C 1 ATOM 2661 O O . ARG B 2 86 ? -60.044 26.895 -3.552 1.00 62.81 ? 587 ARG B O 1 ATOM 2662 C CB . ARG B 2 86 ? -60.328 27.299 -6.749 1.00 62.79 ? 587 ARG B CB 1 ATOM 2663 C CG . ARG B 2 86 ? -61.719 27.680 -6.271 1.00 67.17 ? 587 ARG B CG 1 ATOM 2664 C CD . ARG B 2 86 ? -62.788 27.466 -7.328 1.00 70.53 ? 587 ARG B CD 1 ATOM 2665 N NE . ARG B 2 86 ? -64.122 27.398 -6.727 1.00 74.08 ? 587 ARG B NE 1 ATOM 2666 C CZ . ARG B 2 86 ? -65.265 27.331 -7.407 1.00 76.82 ? 587 ARG B CZ 1 ATOM 2667 N NH1 . ARG B 2 86 ? -66.422 27.298 -6.742 1.00 77.86 ? 587 ARG B NH1 1 ATOM 2668 N NH2 . ARG B 2 86 ? -65.268 27.264 -8.740 1.00 78.40 ? 587 ARG B NH2 1 ATOM 2669 N N . LYS B 2 87 ? -58.740 25.429 -4.624 1.00 61.07 ? 588 LYS B N 1 ATOM 2670 C CA . LYS B 2 87 ? -58.708 24.493 -3.486 1.00 61.40 ? 588 LYS B CA 1 ATOM 2671 C C . LYS B 2 87 ? -57.973 25.066 -2.267 1.00 60.24 ? 588 LYS B C 1 ATOM 2672 O O . LYS B 2 87 ? -58.425 24.877 -1.135 1.00 61.02 ? 588 LYS B O 1 ATOM 2673 C CB . LYS B 2 87 ? -58.101 23.145 -3.888 1.00 62.23 ? 588 LYS B CB 1 ATOM 2674 C CG . LYS B 2 87 ? -59.037 22.325 -4.742 1.00 63.98 ? 588 LYS B CG 1 ATOM 2675 C CD . LYS B 2 87 ? -58.591 20.885 -4.844 1.00 66.15 ? 588 LYS B CD 1 ATOM 2676 C CE . LYS B 2 87 ? -59.610 20.058 -5.602 1.00 67.06 ? 588 LYS B CE 1 ATOM 2677 N NZ . LYS B 2 87 ? -60.905 20.001 -4.877 1.00 68.22 ? 588 LYS B NZ 1 ATOM 2678 N N . ALA B 2 88 ? -56.861 25.768 -2.503 1.00 57.57 ? 589 ALA B N 1 ATOM 2679 C CA . ALA B 2 88 ? -56.159 26.498 -1.439 1.00 56.39 ? 589 ALA B CA 1 ATOM 2680 C C . ALA B 2 88 ? -57.074 27.515 -0.776 1.00 56.02 ? 589 ALA B C 1 ATOM 2681 O O . ALA B 2 88 ? -57.130 27.599 0.442 1.00 56.89 ? 589 ALA B O 1 ATOM 2682 C CB . ALA B 2 88 ? -54.923 27.190 -1.988 1.00 55.76 ? 589 ALA B CB 1 ATOM 2683 N N . ILE B 2 89 ? -57.823 28.265 -1.579 1.00 56.01 ? 590 ILE B N 1 ATOM 2684 C CA . ILE B 2 89 ? -58.753 29.261 -1.037 1.00 55.87 ? 590 ILE B CA 1 ATOM 2685 C C . ILE B 2 89 ? -59.833 28.577 -0.198 1.00 56.51 ? 590 ILE B C 1 ATOM 2686 O O . ILE B 2 89 ? -60.093 28.992 0.928 1.00 57.13 ? 590 ILE B O 1 ATOM 2687 C CB . ILE B 2 89 ? -59.363 30.155 -2.141 1.00 54.55 ? 590 ILE B CB 1 ATOM 2688 C CG1 . ILE B 2 89 ? -58.268 31.020 -2.776 1.00 53.09 ? 590 ILE B CG1 1 ATOM 2689 C CG2 . ILE B 2 89 ? -60.464 31.051 -1.574 1.00 55.36 ? 590 ILE B CG2 1 ATOM 2690 C CD1 . ILE B 2 89 ? -58.626 31.557 -4.147 1.00 52.38 ? 590 ILE B CD1 1 ATOM 2691 N N . ASP B 2 90 ? -60.433 27.518 -0.733 1.00 57.52 ? 591 ASP B N 1 ATOM 2692 C CA . ASP B 2 90 ? -61.418 26.734 0.025 1.00 59.76 ? 591 ASP B CA 1 ATOM 2693 C C . ASP B 2 90 ? -60.843 26.097 1.291 1.00 60.82 ? 591 ASP B C 1 ATOM 2694 O O . ASP B 2 90 ? -61.528 26.039 2.306 1.00 62.81 ? 591 ASP B O 1 ATOM 2695 C CB . ASP B 2 90 ? -62.081 25.672 -0.854 1.00 60.31 ? 591 ASP B CB 1 ATOM 2696 C CG . ASP B 2 90 ? -63.054 26.266 -1.853 1.00 61.33 ? 591 ASP B CG 1 ATOM 2697 O OD1 . ASP B 2 90 ? -63.628 27.330 -1.585 1.00 62.80 ? 591 ASP B OD1 1 ATOM 2698 O OD2 . ASP B 2 90 ? -63.249 25.667 -2.922 1.00 64.57 ? 591 ASP B OD2 1 ATOM 2699 N N . PHE B 2 91 ? -59.593 25.643 1.241 1.00 60.75 ? 592 PHE B N 1 ATOM 2700 C CA . PHE B 2 91 ? -58.902 25.162 2.442 1.00 61.50 ? 592 PHE B CA 1 ATOM 2701 C C . PHE B 2 91 ? -58.934 26.236 3.536 1.00 62.12 ? 592 PHE B C 1 ATOM 2702 O O . PHE B 2 91 ? -59.343 25.967 4.657 1.00 64.34 ? 592 PHE B O 1 ATOM 2703 C CB . PHE B 2 91 ? -57.453 24.757 2.114 1.00 61.12 ? 592 PHE B CB 1 ATOM 2704 C CG . PHE B 2 91 ? -56.701 24.190 3.283 1.00 62.28 ? 592 PHE B CG 1 ATOM 2705 C CD1 . PHE B 2 91 ? -56.617 22.814 3.470 1.00 62.47 ? 592 PHE B CD1 1 ATOM 2706 C CD2 . PHE B 2 91 ? -56.070 25.037 4.205 1.00 63.13 ? 592 PHE B CD2 1 ATOM 2707 C CE1 . PHE B 2 91 ? -55.926 22.288 4.549 1.00 62.91 ? 592 PHE B CE1 1 ATOM 2708 C CE2 . PHE B 2 91 ? -55.383 24.517 5.291 1.00 63.69 ? 592 PHE B CE2 1 ATOM 2709 C CZ . PHE B 2 91 ? -55.308 23.138 5.458 1.00 64.19 ? 592 PHE B CZ 1 ATOM 2710 N N . LEU B 2 92 ? -58.515 27.449 3.192 1.00 61.26 ? 593 LEU B N 1 ATOM 2711 C CA . LEU B 2 92 ? -58.518 28.566 4.136 1.00 61.40 ? 593 LEU B CA 1 ATOM 2712 C C . LEU B 2 92 ? -59.925 28.956 4.600 1.00 63.58 ? 593 LEU B C 1 ATOM 2713 O O . LEU B 2 92 ? -60.130 29.176 5.792 1.00 65.53 ? 593 LEU B O 1 ATOM 2714 C CB . LEU B 2 92 ? -57.818 29.783 3.526 1.00 59.67 ? 593 LEU B CB 1 ATOM 2715 C CG . LEU B 2 92 ? -56.317 29.594 3.302 1.00 58.00 ? 593 LEU B CG 1 ATOM 2716 C CD1 . LEU B 2 92 ? -55.776 30.590 2.297 1.00 57.13 ? 593 LEU B CD1 1 ATOM 2717 C CD2 . LEU B 2 92 ? -55.575 29.703 4.624 1.00 58.73 ? 593 LEU B CD2 1 ATOM 2718 N N . LEU B 2 93 ? -60.889 29.038 3.679 1.00 64.47 ? 594 LEU B N 1 ATOM 2719 C CA . LEU B 2 93 ? -62.262 29.448 4.046 1.00 65.76 ? 594 LEU B CA 1 ATOM 2720 C C . LEU B 2 93 ? -62.970 28.457 4.977 1.00 67.69 ? 594 LEU B C 1 ATOM 2721 O O . LEU B 2 93 ? -63.743 28.868 5.835 1.00 69.22 ? 594 LEU B O 1 ATOM 2722 C CB . LEU B 2 93 ? -63.127 29.701 2.807 1.00 64.59 ? 594 LEU B CB 1 ATOM 2723 C CG . LEU B 2 93 ? -62.761 30.908 1.948 1.00 64.07 ? 594 LEU B CG 1 ATOM 2724 C CD1 . LEU B 2 93 ? -63.618 30.909 0.693 1.00 63.81 ? 594 LEU B CD1 1 ATOM 2725 C CD2 . LEU B 2 93 ? -62.891 32.234 2.691 1.00 64.57 ? 594 LEU B CD2 1 ATOM 2726 N N . GLN B 2 94 ? -62.699 27.164 4.805 1.00 68.89 ? 595 GLN B N 1 ATOM 2727 C CA . GLN B 2 94 ? -63.238 26.123 5.685 1.00 71.69 ? 595 GLN B CA 1 ATOM 2728 C C . GLN B 2 94 ? -62.831 26.359 7.141 1.00 71.89 ? 595 GLN B C 1 ATOM 2729 O O . GLN B 2 94 ? -63.624 26.128 8.055 1.00 73.33 ? 595 GLN B O 1 ATOM 2730 C CB . GLN B 2 94 ? -62.760 24.745 5.224 1.00 74.14 ? 595 GLN B CB 1 ATOM 2731 C CG . GLN B 2 94 ? -63.469 23.565 5.875 1.00 78.96 ? 595 GLN B CG 1 ATOM 2732 C CD . GLN B 2 94 ? -63.034 22.207 5.321 1.00 82.24 ? 595 GLN B CD 1 ATOM 2733 O OE1 . GLN B 2 94 ? -63.682 21.191 5.583 1.00 86.57 ? 595 GLN B OE1 1 ATOM 2734 N NE2 . GLN B 2 94 ? -61.931 22.178 4.563 1.00 82.26 ? 595 GLN B NE2 1 ATOM 2735 N N . ARG B 2 95 ? -61.603 26.843 7.338 1.00 70.84 ? 596 ARG B N 1 ATOM 2736 C CA . ARG B 2 95 ? -61.037 27.079 8.664 1.00 70.63 ? 596 ARG B CA 1 ATOM 2737 C C . ARG B 2 95 ? -61.240 28.488 9.168 1.00 69.55 ? 596 ARG B C 1 ATOM 2738 O O . ARG B 2 95 ? -61.613 28.665 10.313 1.00 72.52 ? 596 ARG B O 1 ATOM 2739 C CB . ARG B 2 95 ? -59.545 26.756 8.669 1.00 70.91 ? 596 ARG B CB 1 ATOM 2740 C CG . ARG B 2 95 ? -59.273 25.269 8.615 1.00 72.56 ? 596 ARG B CG 1 ATOM 2741 C CD . ARG B 2 95 ? -57.829 24.976 8.252 1.00 73.51 ? 596 ARG B CD 1 ATOM 2742 N NE . ARG B 2 95 ? -57.589 23.540 8.139 1.00 75.00 ? 596 ARG B NE 1 ATOM 2743 C CZ . ARG B 2 95 ? -57.974 22.770 7.120 1.00 77.15 ? 596 ARG B CZ 1 ATOM 2744 N NH1 . ARG B 2 95 ? -58.629 23.266 6.063 1.00 76.74 ? 596 ARG B NH1 1 ATOM 2745 N NH2 . ARG B 2 95 ? -57.681 21.473 7.150 1.00 79.36 ? 596 ARG B NH2 1 ATOM 2746 N N . TRP B 2 96 ? -60.991 29.484 8.324 1.00 67.56 ? 597 TRP B N 1 ATOM 2747 C CA . TRP B 2 96 ? -60.939 30.888 8.756 1.00 67.28 ? 597 TRP B CA 1 ATOM 2748 C C . TRP B 2 96 ? -62.046 31.787 8.177 1.00 67.20 ? 597 TRP B C 1 ATOM 2749 O O . TRP B 2 96 ? -61.975 33.010 8.290 1.00 65.31 ? 597 TRP B O 1 ATOM 2750 C CB . TRP B 2 96 ? -59.556 31.441 8.415 1.00 66.23 ? 597 TRP B CB 1 ATOM 2751 C CG . TRP B 2 96 ? -58.475 30.545 8.903 1.00 66.16 ? 597 TRP B CG 1 ATOM 2752 C CD1 . TRP B 2 96 ? -57.734 29.683 8.162 1.00 65.49 ? 597 TRP B CD1 1 ATOM 2753 C CD2 . TRP B 2 96 ? -58.048 30.380 10.262 1.00 67.44 ? 597 TRP B CD2 1 ATOM 2754 N NE1 . TRP B 2 96 ? -56.847 29.004 8.963 1.00 66.35 ? 597 TRP B NE1 1 ATOM 2755 C CE2 . TRP B 2 96 ? -57.019 29.409 10.259 1.00 66.96 ? 597 TRP B CE2 1 ATOM 2756 C CE3 . TRP B 2 96 ? -58.424 30.969 11.479 1.00 68.59 ? 597 TRP B CE3 1 ATOM 2757 C CZ2 . TRP B 2 96 ? -56.358 29.006 11.427 1.00 67.42 ? 597 TRP B CZ2 1 ATOM 2758 C CZ3 . TRP B 2 96 ? -57.764 30.573 12.647 1.00 69.77 ? 597 TRP B CZ3 1 ATOM 2759 C CH2 . TRP B 2 96 ? -56.739 29.595 12.608 1.00 68.64 ? 597 TRP B CH2 1 ATOM 2760 N N . GLY B 2 97 ? -63.074 31.179 7.593 1.00 67.97 ? 598 GLY B N 1 ATOM 2761 C CA . GLY B 2 97 ? -64.131 31.912 6.911 1.00 70.14 ? 598 GLY B CA 1 ATOM 2762 C C . GLY B 2 97 ? -65.164 32.577 7.803 1.00 73.95 ? 598 GLY B C 1 ATOM 2763 O O . GLY B 2 97 ? -65.963 33.381 7.332 1.00 74.76 ? 598 GLY B O 1 ATOM 2764 N N . GLY B 2 98 ? -65.181 32.219 9.081 1.00 77.99 ? 599 GLY B N 1 ATOM 2765 C CA . GLY B 2 98 ? -66.045 32.866 10.060 1.00 81.25 ? 599 GLY B CA 1 ATOM 2766 C C . GLY B 2 98 ? -65.231 33.266 11.267 1.00 83.73 ? 599 GLY B C 1 ATOM 2767 O O . GLY B 2 98 ? -64.021 33.495 11.164 1.00 84.18 ? 599 GLY B O 1 ATOM 2768 N N . THR B 2 99 ? -65.907 33.364 12.408 1.00 86.98 ? 600 THR B N 1 ATOM 2769 C CA . THR B 2 99 ? -65.256 33.641 13.681 1.00 87.87 ? 600 THR B CA 1 ATOM 2770 C C . THR B 2 99 ? -64.723 32.318 14.232 1.00 88.33 ? 600 THR B C 1 ATOM 2771 O O . THR B 2 99 ? -65.428 31.311 14.221 1.00 88.76 ? 600 THR B O 1 ATOM 2772 C CB . THR B 2 99 ? -66.229 34.327 14.666 1.00 89.41 ? 600 THR B CB 1 ATOM 2773 O OG1 . THR B 2 99 ? -66.520 35.645 14.190 1.00 88.32 ? 600 THR B OG1 1 ATOM 2774 C CG2 . THR B 2 99 ? -65.634 34.441 16.064 1.00 91.07 ? 600 THR B CG2 1 ATOM 2775 N N . CYS B 2 100 ? -63.478 32.330 14.702 1.00 89.27 ? 601 CYS B N 1 ATOM 2776 C CA . CYS B 2 100 ? -62.849 31.135 15.261 1.00 91.09 ? 601 CYS B CA 1 ATOM 2777 C C . CYS B 2 100 ? -63.217 31.011 16.754 1.00 94.35 ? 601 CYS B C 1 ATOM 2778 O O . CYS B 2 100 ? -62.626 31.684 17.603 1.00 94.04 ? 601 CYS B O 1 ATOM 2779 C CB . CYS B 2 100 ? -61.324 31.188 15.050 1.00 89.35 ? 601 CYS B CB 1 ATOM 2780 S SG . CYS B 2 100 ? -60.548 29.585 14.742 1.00 89.38 ? 601 CYS B SG 1 ATOM 2781 N N . HIS B 2 101 ? -64.208 30.168 17.059 1.00 97.58 ? 602 HIS B N 1 ATOM 2782 C CA . HIS B 2 101 ? -64.607 29.889 18.451 1.00 101.34 ? 602 HIS B CA 1 ATOM 2783 C C . HIS B 2 101 ? -63.581 28.960 19.106 1.00 101.07 ? 602 HIS B C 1 ATOM 2784 O O . HIS B 2 101 ? -63.538 27.770 18.780 1.00 101.66 ? 602 HIS B O 1 ATOM 2785 C CB . HIS B 2 101 ? -66.004 29.237 18.510 1.00 104.44 ? 602 HIS B CB 1 ATOM 2786 C CG . HIS B 2 101 ? -67.130 30.168 18.170 1.00 106.80 ? 602 HIS B CG 1 ATOM 2787 N ND1 . HIS B 2 101 ? -67.521 30.424 16.872 1.00 106.68 ? 602 HIS B ND1 1 ATOM 2788 C CD2 . HIS B 2 101 ? -67.956 30.894 18.961 1.00 107.98 ? 602 HIS B CD2 1 ATOM 2789 C CE1 . HIS B 2 101 ? -68.530 31.278 16.878 1.00 107.11 ? 602 HIS B CE1 1 ATOM 2790 N NE2 . HIS B 2 101 ? -68.814 31.578 18.133 1.00 108.27 ? 602 HIS B NE2 1 ATOM 2791 N N . ILE B 2 102 ? -62.780 29.489 20.036 1.00 100.92 ? 603 ILE B N 1 ATOM 2792 C CA . ILE B 2 102 ? -61.657 28.726 20.612 1.00 101.70 ? 603 ILE B CA 1 ATOM 2793 C C . ILE B 2 102 ? -62.185 27.532 21.423 1.00 105.68 ? 603 ILE B C 1 ATOM 2794 O O . ILE B 2 102 ? -63.200 27.636 22.124 1.00 106.71 ? 603 ILE B O 1 ATOM 2795 C CB . ILE B 2 102 ? -60.701 29.592 21.472 1.00 100.56 ? 603 ILE B CB 1 ATOM 2796 C CG1 . ILE B 2 102 ? -60.124 30.754 20.655 1.00 99.42 ? 603 ILE B CG1 1 ATOM 2797 C CG2 . ILE B 2 102 ? -59.543 28.747 22.001 1.00 100.31 ? 603 ILE B CG2 1 ATOM 2798 C CD1 . ILE B 2 102 ? -59.259 31.710 21.452 1.00 99.92 ? 603 ILE B CD1 1 ATOM 2799 N N . LEU B 2 103 ? -61.494 26.398 21.284 1.00 107.80 ? 604 LEU B N 1 ATOM 2800 C CA . LEU B 2 103 ? -61.942 25.083 21.774 1.00 111.06 ? 604 LEU B CA 1 ATOM 2801 C C . LEU B 2 103 ? -63.222 24.531 21.102 1.00 112.25 ? 604 LEU B C 1 ATOM 2802 O O . LEU B 2 103 ? -63.733 23.491 21.522 1.00 113.54 ? 604 LEU B O 1 ATOM 2803 C CB . LEU B 2 103 ? -62.036 25.044 23.320 1.00 114.71 ? 604 LEU B CB 1 ATOM 2804 C CG . LEU B 2 103 ? -60.794 24.552 24.082 1.00 115.37 ? 604 LEU B CG 1 ATOM 2805 C CD1 . LEU B 2 103 ? -60.465 23.090 23.769 1.00 115.25 ? 604 LEU B CD1 1 ATOM 2806 C CD2 . LEU B 2 103 ? -59.594 25.453 23.820 1.00 113.94 ? 604 LEU B CD2 1 ATOM 2807 N N . GLY B 2 104 ? -63.708 25.187 20.044 1.00 112.65 ? 605 GLY B N 1 ATOM 2808 C CA . GLY B 2 104 ? -64.765 24.628 19.205 1.00 114.96 ? 605 GLY B CA 1 ATOM 2809 C C . GLY B 2 104 ? -64.164 23.598 18.256 1.00 116.25 ? 605 GLY B C 1 ATOM 2810 O O . GLY B 2 104 ? -62.945 23.587 18.046 1.00 116.08 ? 605 GLY B O 1 ATOM 2811 N N . PRO B 2 105 ? -65.008 22.727 17.668 1.00 116.77 ? 606 PRO B N 1 ATOM 2812 C CA . PRO B 2 105 ? -64.499 21.677 16.774 1.00 114.87 ? 606 PRO B CA 1 ATOM 2813 C C . PRO B 2 105 ? -63.986 22.183 15.419 1.00 111.43 ? 606 PRO B C 1 ATOM 2814 O O . PRO B 2 105 ? -63.156 21.516 14.804 1.00 109.50 ? 606 PRO B O 1 ATOM 2815 C CB . PRO B 2 105 ? -65.719 20.772 16.576 1.00 116.88 ? 606 PRO B CB 1 ATOM 2816 C CG . PRO B 2 105 ? -66.883 21.694 16.709 1.00 118.07 ? 606 PRO B CG 1 ATOM 2817 C CD . PRO B 2 105 ? -66.483 22.745 17.710 1.00 117.64 ? 606 PRO B CD 1 ATOM 2818 N N . ASP B 2 106 ? -64.468 23.344 14.971 1.00 110.14 ? 607 ASP B N 1 ATOM 2819 C CA . ASP B 2 106 ? -64.138 23.880 13.647 1.00 108.98 ? 607 ASP B CA 1 ATOM 2820 C C . ASP B 2 106 ? -63.132 25.044 13.670 1.00 104.18 ? 607 ASP B C 1 ATOM 2821 O O . ASP B 2 106 ? -63.015 25.776 12.682 1.00 103.23 ? 607 ASP B O 1 ATOM 2822 C CB . ASP B 2 106 ? -65.434 24.312 12.944 1.00 112.47 ? 607 ASP B CB 1 ATOM 2823 C CG . ASP B 2 106 ? -66.344 23.136 12.627 1.00 115.68 ? 607 ASP B CG 1 ATOM 2824 O OD1 . ASP B 2 106 ? -65.958 22.297 11.785 1.00 116.14 ? 607 ASP B OD1 1 ATOM 2825 O OD2 . ASP B 2 106 ? -67.443 23.053 13.216 1.00 119.56 ? 607 ASP B OD2 1 ATOM 2826 N N . CYS B 2 107 ? -62.393 25.197 14.773 1.00 99.43 ? 608 CYS B N 1 ATOM 2827 C CA . CYS B 2 107 ? -61.447 26.301 14.945 1.00 94.91 ? 608 CYS B CA 1 ATOM 2828 C C . CYS B 2 107 ? -60.058 25.770 15.282 1.00 93.57 ? 608 CYS B C 1 ATOM 2829 O O . CYS B 2 107 ? -59.831 25.287 16.385 1.00 94.31 ? 608 CYS B O 1 ATOM 2830 C CB . CYS B 2 107 ? -61.927 27.233 16.055 1.00 94.00 ? 608 CYS B CB 1 ATOM 2831 S SG . CYS B 2 107 ? -60.766 28.549 16.482 1.00 90.72 ? 608 CYS B SG 1 ATOM 2832 N N . CYS B 2 108 ? -59.123 25.901 14.344 1.00 91.90 ? 609 CYS B N 1 ATOM 2833 C CA . CYS B 2 108 ? -57.786 25.329 14.491 1.00 91.31 ? 609 CYS B CA 1 ATOM 2834 C C . CYS B 2 108 ? -56.836 26.286 15.219 1.00 92.27 ? 609 CYS B C 1 ATOM 2835 O O . CYS B 2 108 ? -55.858 26.786 14.645 1.00 91.02 ? 609 CYS B O 1 ATOM 2836 C CB . CYS B 2 108 ? -57.234 24.928 13.120 1.00 89.41 ? 609 CYS B CB 1 ATOM 2837 S SG . CYS B 2 108 ? -58.406 23.987 12.113 1.00 88.70 ? 609 CYS B SG 1 ATOM 2838 N N . ILE B 2 109 ? -57.141 26.528 16.492 1.00 93.78 ? 610 ILE B N 1 ATOM 2839 C CA . ILE B 2 109 ? -56.287 27.303 17.391 1.00 94.87 ? 610 ILE B CA 1 ATOM 2840 C C . ILE B 2 109 ? -55.939 26.391 18.566 1.00 97.22 ? 610 ILE B C 1 ATOM 2841 O O . ILE B 2 109 ? -56.826 25.756 19.137 1.00 100.47 ? 610 ILE B O 1 ATOM 2842 C CB . ILE B 2 109 ? -56.990 28.589 17.885 1.00 94.51 ? 610 ILE B CB 1 ATOM 2843 C CG1 . ILE B 2 109 ? -57.194 29.564 16.715 1.00 92.52 ? 610 ILE B CG1 1 ATOM 2844 C CG2 . ILE B 2 109 ? -56.181 29.253 18.998 1.00 95.60 ? 610 ILE B CG2 1 ATOM 2845 C CD1 . ILE B 2 109 ? -58.039 30.781 17.034 1.00 92.55 ? 610 ILE B CD1 1 ATOM 2846 N N . GLU B 2 110 ? -54.652 26.325 18.907 1.00 119.42 ? 611 GLU B N 1 ATOM 2847 C CA . GLU B 2 110 ? -54.164 25.541 20.040 1.00 118.79 ? 611 GLU B CA 1 ATOM 2848 C C . GLU B 2 110 ? -53.677 26.490 21.148 1.00 119.60 ? 611 GLU B C 1 ATOM 2849 O O . GLU B 2 110 ? -52.655 27.158 20.979 1.00 117.69 ? 611 GLU B O 1 ATOM 2850 C CB . GLU B 2 110 ? -53.038 24.599 19.585 1.00 118.07 ? 611 GLU B CB 1 ATOM 2851 C CG . GLU B 2 110 ? -52.479 23.672 20.661 1.00 117.76 ? 611 GLU B CG 1 ATOM 2852 C CD . GLU B 2 110 ? -53.545 22.809 21.315 1.00 117.19 ? 611 GLU B CD 1 ATOM 2853 O OE1 . GLU B 2 110 ? -53.964 23.122 22.449 1.00 115.54 ? 611 GLU B OE1 1 ATOM 2854 O OE2 . GLU B 2 110 ? -53.984 21.827 20.683 1.00 117.93 ? 611 GLU B OE2 1 ATOM 2855 N N . PRO B 2 111 ? -54.416 26.564 22.278 1.00 122.68 ? 612 PRO B N 1 ATOM 2856 C CA . PRO B 2 111 ? -53.945 27.320 23.441 1.00 125.94 ? 612 PRO B CA 1 ATOM 2857 C C . PRO B 2 111 ? -53.069 26.528 24.439 1.00 130.98 ? 612 PRO B C 1 ATOM 2858 O O . PRO B 2 111 ? -52.767 27.054 25.501 1.00 132.01 ? 612 PRO B O 1 ATOM 2859 C CB . PRO B 2 111 ? -55.252 27.788 24.096 1.00 124.44 ? 612 PRO B CB 1 ATOM 2860 C CG . PRO B 2 111 ? -56.265 26.760 23.723 1.00 122.91 ? 612 PRO B CG 1 ATOM 2861 C CD . PRO B 2 111 ? -55.785 26.050 22.488 1.00 122.47 ? 612 PRO B CD 1 ATOM 2862 N N . HIS B 2 112 ? -52.677 25.293 24.099 1.00 138.11 ? 613 HIS B N 1 ATOM 2863 C CA . HIS B 2 112 ? -51.752 24.442 24.896 1.00 143.33 ? 613 HIS B CA 1 ATOM 2864 C C . HIS B 2 112 ? -50.731 25.203 25.761 1.00 143.90 ? 613 HIS B C 1 ATOM 2865 O O . HIS B 2 112 ? -50.797 25.134 26.985 1.00 145.70 ? 613 HIS B O 1 ATOM 2866 C CB . HIS B 2 112 ? -51.028 23.445 23.961 1.00 147.80 ? 613 HIS B CB 1 ATOM 2867 C CG . HIS B 2 112 ? -49.986 22.600 24.636 1.00 152.41 ? 613 HIS B CG 1 ATOM 2868 N ND1 . HIS B 2 112 ? -50.299 21.530 25.448 1.00 155.17 ? 613 HIS B ND1 1 ATOM 2869 C CD2 . HIS B 2 112 ? -48.633 22.654 24.595 1.00 154.00 ? 613 HIS B CD2 1 ATOM 2870 C CE1 . HIS B 2 112 ? -49.186 20.973 25.892 1.00 155.63 ? 613 HIS B CE1 1 ATOM 2871 N NE2 . HIS B 2 112 ? -48.161 21.636 25.388 1.00 155.94 ? 613 HIS B NE2 1 ATOM 2872 N N . ASP B 2 113 ? -49.808 25.926 25.128 1.00 145.21 ? 614 ASP B N 1 ATOM 2873 C CA . ASP B 2 113 ? -48.806 26.720 25.860 1.00 146.57 ? 614 ASP B CA 1 ATOM 2874 C C . ASP B 2 113 ? -49.436 27.912 26.587 1.00 148.89 ? 614 ASP B C 1 ATOM 2875 O O . ASP B 2 113 ? -48.968 28.303 27.656 1.00 149.15 ? 614 ASP B O 1 ATOM 2876 C CB . ASP B 2 113 ? -47.689 27.208 24.924 1.00 146.29 ? 614 ASP B CB 1 ATOM 2877 C CG . ASP B 2 113 ? -46.830 26.070 24.380 1.00 145.98 ? 614 ASP B CG 1 ATOM 2878 O OD1 . ASP B 2 113 ? -46.517 25.125 25.135 1.00 146.16 ? 614 ASP B OD1 1 ATOM 2879 O OD2 . ASP B 2 113 ? -46.453 26.128 23.191 1.00 144.70 ? 614 ASP B OD2 1 ATOM 2880 N N . TRP B 2 114 ? -50.490 28.480 26.002 1.00 152.61 ? 615 TRP B N 1 ATOM 2881 C CA . TRP B 2 114 ? -51.256 29.562 26.630 1.00 156.35 ? 615 TRP B CA 1 ATOM 2882 C C . TRP B 2 114 ? -52.047 29.120 27.883 1.00 157.63 ? 615 TRP B C 1 ATOM 2883 O O . TRP B 2 114 ? -52.356 29.957 28.735 1.00 156.58 ? 615 TRP B O 1 ATOM 2884 C CB . TRP B 2 114 ? -52.180 30.221 25.588 1.00 159.67 ? 615 TRP B CB 1 ATOM 2885 C CG . TRP B 2 114 ? -52.951 31.397 26.094 1.00 164.17 ? 615 TRP B CG 1 ATOM 2886 C CD1 . TRP B 2 114 ? -54.308 31.556 26.079 1.00 166.09 ? 615 TRP B CD1 1 ATOM 2887 C CD2 . TRP B 2 114 ? -52.415 32.573 26.707 1.00 167.86 ? 615 TRP B CD2 1 ATOM 2888 N NE1 . TRP B 2 114 ? -54.650 32.763 26.640 1.00 167.84 ? 615 TRP B NE1 1 ATOM 2889 C CE2 . TRP B 2 114 ? -53.507 33.407 27.035 1.00 169.17 ? 615 TRP B CE2 1 ATOM 2890 C CE3 . TRP B 2 114 ? -51.114 33.008 27.009 1.00 170.57 ? 615 TRP B CE3 1 ATOM 2891 C CZ2 . TRP B 2 114 ? -53.339 34.655 27.652 1.00 171.69 ? 615 TRP B CZ2 1 ATOM 2892 C CZ3 . TRP B 2 114 ? -50.947 34.248 27.623 1.00 171.77 ? 615 TRP B CZ3 1 ATOM 2893 C CH2 . TRP B 2 114 ? -52.055 35.055 27.936 1.00 172.02 ? 615 TRP B CH2 1 ATOM 2894 N N . THR B 2 115 ? -52.358 27.824 28.002 1.00 159.42 ? 616 THR B N 1 ATOM 2895 C CA . THR B 2 115 ? -52.980 27.275 29.222 1.00 160.26 ? 616 THR B CA 1 ATOM 2896 C C . THR B 2 115 ? -51.950 27.283 30.357 1.00 160.87 ? 616 THR B C 1 ATOM 2897 O O . THR B 2 115 ? -52.203 27.836 31.426 1.00 160.45 ? 616 THR B O 1 ATOM 2898 C CB . THR B 2 115 ? -53.531 25.826 29.055 1.00 160.94 ? 616 THR B CB 1 ATOM 2899 O OG1 . THR B 2 115 ? -52.456 24.877 29.071 1.00 162.80 ? 616 THR B OG1 1 ATOM 2900 C CG2 . THR B 2 115 ? -54.346 25.646 27.765 1.00 160.23 ? 616 THR B CG2 1 ATOM 2901 N N . LYS B 2 116 ? -50.785 26.685 30.091 1.00 162.18 ? 617 LYS B N 1 ATOM 2902 C CA . LYS B 2 116 ? -49.670 26.614 31.054 1.00 164.10 ? 617 LYS B CA 1 ATOM 2903 C C . LYS B 2 116 ? -48.761 27.864 31.073 1.00 164.65 ? 617 LYS B C 1 ATOM 2904 O O . LYS B 2 116 ? -47.630 27.799 31.555 1.00 163.95 ? 617 LYS B O 1 ATOM 2905 C CB . LYS B 2 116 ? -48.836 25.330 30.832 1.00 165.52 ? 617 LYS B CB 1 ATOM 2906 C CG . LYS B 2 116 ? -48.034 25.267 29.533 1.00 167.11 ? 617 LYS B CG 1 ATOM 2907 C CD . LYS B 2 116 ? -47.039 24.115 29.531 1.00 167.81 ? 617 LYS B CD 1 ATOM 2908 C CE . LYS B 2 116 ? -46.223 24.101 28.245 1.00 167.66 ? 617 LYS B CE 1 ATOM 2909 N NZ . LYS B 2 116 ? -45.060 23.172 28.311 1.00 167.64 ? 617 LYS B NZ 1 ATOM 2910 N N . ASN B 2 117 ? -49.234 28.976 30.506 1.00 165.81 ? 618 ASN B N 1 ATOM 2911 C CA . ASN B 2 117 ? -48.703 30.309 30.806 1.00 166.80 ? 618 ASN B CA 1 ATOM 2912 C C . ASN B 2 117 ? -49.577 31.003 31.856 1.00 170.31 ? 618 ASN B C 1 ATOM 2913 O O . ASN B 2 117 ? -49.055 31.717 32.708 1.00 173.80 ? 618 ASN B O 1 ATOM 2914 C CB . ASN B 2 117 ? -48.617 31.164 29.534 1.00 164.31 ? 618 ASN B CB 1 ATOM 2915 C CG . ASN B 2 117 ? -47.744 32.397 29.711 1.00 162.14 ? 618 ASN B CG 1 ATOM 2916 O OD1 . ASN B 2 117 ? -48.125 33.353 30.386 1.00 161.19 ? 618 ASN B OD1 1 ATOM 2917 N ND2 . ASN B 2 117 ? -46.568 32.383 29.094 1.00 161.30 ? 618 ASN B ND2 1 ATOM 2918 N N . ILE B 2 118 ? -50.896 30.800 31.787 1.00 172.71 ? 619 ILE B N 1 ATOM 2919 C CA . ILE B 2 118 ? -51.841 31.403 32.736 1.00 174.69 ? 619 ILE B CA 1 ATOM 2920 C C . ILE B 2 118 ? -51.963 30.568 34.018 1.00 177.03 ? 619 ILE B C 1 ATOM 2921 O O . ILE B 2 118 ? -51.819 31.110 35.118 1.00 176.01 ? 619 ILE B O 1 ATOM 2922 C CB . ILE B 2 118 ? -53.235 31.619 32.085 1.00 173.96 ? 619 ILE B CB 1 ATOM 2923 C CG1 . ILE B 2 118 ? -53.122 32.536 30.854 1.00 172.91 ? 619 ILE B CG1 1 ATOM 2924 C CG2 . ILE B 2 118 ? -54.239 32.187 33.087 1.00 174.33 ? 619 ILE B CG2 1 ATOM 2925 C CD1 . ILE B 2 118 ? -52.541 33.913 31.121 1.00 173.12 ? 619 ILE B CD1 1 ATOM 2926 N N . THR B 2 119 ? -52.221 29.264 33.875 1.00 180.19 ? 620 THR B N 1 ATOM 2927 C CA . THR B 2 119 ? -52.342 28.353 35.034 1.00 182.31 ? 620 THR B CA 1 ATOM 2928 C C . THR B 2 119 ? -51.010 28.112 35.769 1.00 184.79 ? 620 THR B C 1 ATOM 2929 O O . THR B 2 119 ? -51.011 27.720 36.938 1.00 186.09 ? 620 THR B O 1 ATOM 2930 C CB . THR B 2 119 ? -52.951 26.980 34.651 1.00 180.53 ? 620 THR B CB 1 ATOM 2931 O OG1 . THR B 2 119 ? -52.146 26.346 33.649 1.00 180.69 ? 620 THR B OG1 1 ATOM 2932 C CG2 . THR B 2 119 ? -54.379 27.136 34.139 1.00 179.05 ? 620 THR B CG2 1 ATOM 2933 N N . ASP B 2 120 ? -49.892 28.333 35.078 1.00 186.47 ? 621 ASP B N 1 ATOM 2934 C CA . ASP B 2 120 ? -48.558 28.273 35.682 1.00 186.73 ? 621 ASP B CA 1 ATOM 2935 C C . ASP B 2 120 ? -48.235 29.555 36.473 1.00 188.68 ? 621 ASP B C 1 ATOM 2936 O O . ASP B 2 120 ? -47.651 29.476 37.557 1.00 191.24 ? 621 ASP B O 1 ATOM 2937 C CB . ASP B 2 120 ? -47.510 28.023 34.587 1.00 184.74 ? 621 ASP B CB 1 ATOM 2938 C CG . ASP B 2 120 ? -46.153 27.604 35.133 1.00 182.88 ? 621 ASP B CG 1 ATOM 2939 O OD1 . ASP B 2 120 ? -46.098 26.737 36.030 1.00 181.88 ? 621 ASP B OD1 1 ATOM 2940 O OD2 . ASP B 2 120 ? -45.132 28.125 34.635 1.00 181.32 ? 621 ASP B OD2 1 ATOM 2941 N N . LYS B 2 121 ? -48.631 30.718 35.941 1.00 188.61 ? 622 LYS B N 1 ATOM 2942 C CA . LYS B 2 121 ? -48.358 32.023 36.580 1.00 189.13 ? 622 LYS B CA 1 ATOM 2943 C C . LYS B 2 121 ? -49.403 32.480 37.625 1.00 190.93 ? 622 LYS B C 1 ATOM 2944 O O . LYS B 2 121 ? -49.358 33.630 38.077 1.00 189.87 ? 622 LYS B O 1 ATOM 2945 C CB . LYS B 2 121 ? -48.152 33.111 35.512 1.00 188.14 ? 622 LYS B CB 1 ATOM 2946 C CG . LYS B 2 121 ? -46.908 32.897 34.659 1.00 187.90 ? 622 LYS B CG 1 ATOM 2947 C CD . LYS B 2 121 ? -46.817 33.887 33.506 1.00 186.82 ? 622 LYS B CD 1 ATOM 2948 C CE . LYS B 2 121 ? -46.378 35.263 33.976 1.00 186.48 ? 622 LYS B CE 1 ATOM 2949 N NZ . LYS B 2 121 ? -46.224 36.201 32.831 1.00 185.50 ? 622 LYS B NZ 1 ATOM 2950 N N . ILE B 2 122 ? -50.329 31.595 38.012 1.00 192.46 ? 623 ILE B N 1 ATOM 2951 C CA . ILE B 2 122 ? -51.138 31.803 39.232 1.00 192.89 ? 623 ILE B CA 1 ATOM 2952 C C . ILE B 2 122 ? -50.307 31.682 40.518 1.00 195.43 ? 623 ILE B C 1 ATOM 2953 O O . ILE B 2 122 ? -50.714 32.197 41.558 1.00 197.69 ? 623 ILE B O 1 ATOM 2954 C CB . ILE B 2 122 ? -52.369 30.856 39.329 1.00 190.89 ? 623 ILE B CB 1 ATOM 2955 C CG1 . ILE B 2 122 ? -51.959 29.375 39.504 1.00 189.97 ? 623 ILE B CG1 1 ATOM 2956 C CG2 . ILE B 2 122 ? -53.293 31.054 38.132 1.00 189.20 ? 623 ILE B CG2 1 ATOM 2957 C CD1 . ILE B 2 122 ? -52.025 28.856 40.930 1.00 189.63 ? 623 ILE B CD1 1 ATOM 2958 N N . ASP B 2 123 ? -49.156 31.004 40.443 1.00 195.79 ? 624 ASP B N 1 ATOM 2959 C CA . ASP B 2 123 ? -48.213 30.903 41.569 1.00 195.43 ? 624 ASP B CA 1 ATOM 2960 C C . ASP B 2 123 ? -47.197 32.070 41.634 1.00 197.01 ? 624 ASP B C 1 ATOM 2961 O O . ASP B 2 123 ? -46.079 31.902 42.133 1.00 196.89 ? 624 ASP B O 1 ATOM 2962 C CB . ASP B 2 123 ? -47.497 29.545 41.535 1.00 192.71 ? 624 ASP B CB 1 ATOM 2963 C CG . ASP B 2 123 ? -48.469 28.377 41.543 1.00 189.97 ? 624 ASP B CG 1 ATOM 2964 O OD1 . ASP B 2 123 ? -48.994 28.031 40.464 1.00 185.11 ? 624 ASP B OD1 1 ATOM 2965 O OD2 . ASP B 2 123 ? -48.709 27.810 42.629 1.00 188.53 ? 624 ASP B OD2 1 ATOM 2966 N N . GLN B 2 124 ? -47.580 33.231 41.094 1.00 196.94 ? 625 GLN B N 1 ATOM 2967 C CA . GLN B 2 124 ? -46.984 34.522 41.444 1.00 196.93 ? 625 GLN B CA 1 ATOM 2968 C C . GLN B 2 124 ? -48.055 35.524 41.932 1.00 198.85 ? 625 GLN B C 1 ATOM 2969 O O . GLN B 2 124 ? -47.822 36.737 41.923 1.00 199.25 ? 625 GLN B O 1 ATOM 2970 C CB . GLN B 2 124 ? -46.217 35.086 40.245 1.00 194.81 ? 625 GLN B CB 1 ATOM 2971 C CG . GLN B 2 124 ? -45.028 34.240 39.826 1.00 193.22 ? 625 GLN B CG 1 ATOM 2972 C CD . GLN B 2 124 ? -44.249 34.861 38.684 1.00 191.52 ? 625 GLN B CD 1 ATOM 2973 O OE1 . GLN B 2 124 ? -44.818 35.211 37.650 1.00 189.92 ? 625 GLN B OE1 1 ATOM 2974 N NE2 . GLN B 2 124 ? -42.939 34.995 38.863 1.00 190.73 ? 625 GLN B NE2 1 ATOM 2975 N N . ILE B 2 125 ? -49.222 35.014 42.344 1.00 200.67 ? 626 ILE B N 1 ATOM 2976 C CA . ILE B 2 125 ? -50.265 35.828 43.002 1.00 201.81 ? 626 ILE B CA 1 ATOM 2977 C C . ILE B 2 125 ? -50.915 35.119 44.217 1.00 205.29 ? 626 ILE B C 1 ATOM 2978 O O . ILE B 2 125 ? -51.181 35.777 45.228 1.00 205.85 ? 626 ILE B O 1 ATOM 2979 C CB . ILE B 2 125 ? -51.320 36.354 41.979 1.00 199.10 ? 626 ILE B CB 1 ATOM 2980 C CG1 . ILE B 2 125 ? -51.997 37.638 42.487 1.00 197.59 ? 626 ILE B CG1 1 ATOM 2981 C CG2 . ILE B 2 125 ? -52.361 35.299 41.618 1.00 198.02 ? 626 ILE B CG2 1 ATOM 2982 C CD1 . ILE B 2 125 ? -51.178 38.894 42.273 1.00 195.78 ? 626 ILE B CD1 1 ATOM 2983 N N . ILE B 2 126 ? -51.169 33.806 44.122 1.00 208.55 ? 627 ILE B N 1 ATOM 2984 C CA . ILE B 2 126 ? -51.635 32.995 45.267 1.00 210.76 ? 627 ILE B CA 1 ATOM 2985 C C . ILE B 2 126 ? -50.474 32.426 46.107 1.00 212.80 ? 627 ILE B C 1 ATOM 2986 O O . ILE B 2 126 ? -50.611 32.283 47.325 1.00 213.51 ? 627 ILE B O 1 ATOM 2987 C CB . ILE B 2 126 ? -52.613 31.862 44.826 1.00 209.67 ? 627 ILE B CB 1 ATOM 2988 C CG1 . ILE B 2 126 ? -53.484 31.409 46.007 1.00 209.17 ? 627 ILE B CG1 1 ATOM 2989 C CG2 . ILE B 2 126 ? -51.885 30.664 44.213 1.00 209.01 ? 627 ILE B CG2 1 ATOM 2990 C CD1 . ILE B 2 126 ? -54.551 30.401 45.632 1.00 208.43 ? 627 ILE B CD1 1 ATOM 2991 N N . HIS B 2 127 ? -49.351 32.099 45.460 1.00 213.97 ? 628 HIS B N 1 ATOM 2992 C CA . HIS B 2 127 ? -48.130 31.667 46.160 1.00 214.76 ? 628 HIS B CA 1 ATOM 2993 C C . HIS B 2 127 ? -47.437 32.864 46.821 1.00 214.64 ? 628 HIS B C 1 ATOM 2994 O O . HIS B 2 127 ? -46.906 32.737 47.927 1.00 214.34 ? 628 HIS B O 1 ATOM 2995 C CB . HIS B 2 127 ? -47.168 30.954 45.198 1.00 215.11 ? 628 HIS B CB 1 ATOM 2996 C CG . HIS B 2 127 ? -45.928 30.420 45.854 1.00 216.29 ? 628 HIS B CG 1 ATOM 2997 N ND1 . HIS B 2 127 ? -45.922 29.274 46.621 1.00 216.57 ? 628 HIS B ND1 1 ATOM 2998 C CD2 . HIS B 2 127 ? -44.651 30.874 45.849 1.00 216.08 ? 628 HIS B CD2 1 ATOM 2999 C CE1 . HIS B 2 127 ? -44.698 29.048 47.063 1.00 215.88 ? 628 HIS B CE1 1 ATOM 3000 N NE2 . HIS B 2 127 ? -43.908 30.004 46.609 1.00 216.07 ? 628 HIS B NE2 1 ATOM 3001 N N . ASP B 2 128 ? -47.451 34.016 46.141 1.00 213.12 ? 629 ASP B N 1 ATOM 3002 C CA . ASP B 2 128 ? -46.957 35.284 46.699 1.00 211.62 ? 629 ASP B CA 1 ATOM 3003 C C . ASP B 2 128 ? -48.096 36.113 47.325 1.00 211.50 ? 629 ASP B C 1 ATOM 3004 O O . ASP B 2 128 ? -48.204 37.320 47.083 1.00 212.90 ? 629 ASP B O 1 ATOM 3005 C CB . ASP B 2 128 ? -46.234 36.102 45.613 1.00 208.91 ? 629 ASP B CB 1 ATOM 3006 C CG . ASP B 2 128 ? -45.045 35.368 45.002 1.00 206.78 ? 629 ASP B CG 1 ATOM 3007 O OD1 . ASP B 2 128 ? -44.652 34.297 45.512 1.00 206.53 ? 629 ASP B OD1 1 ATOM 3008 O OD2 . ASP B 2 128 ? -44.495 35.874 44.002 1.00 203.76 ? 629 ASP B OD2 1 ATOM 3009 N N . PHE B 2 129 ? -48.934 35.456 48.132 1.00 209.14 ? 630 PHE B N 1 ATOM 3010 C CA . PHE B 2 129 ? -49.995 36.108 48.902 1.00 205.46 ? 630 PHE B CA 1 ATOM 3011 C C . PHE B 2 129 ? -49.450 36.258 50.325 1.00 203.98 ? 630 PHE B C 1 ATOM 3012 O O . PHE B 2 129 ? -49.948 35.653 51.277 1.00 203.36 ? 630 PHE B O 1 ATOM 3013 C CB . PHE B 2 129 ? -51.282 35.266 48.843 1.00 203.38 ? 630 PHE B CB 1 ATOM 3014 C CG . PHE B 2 129 ? -52.514 35.982 49.337 1.00 201.34 ? 630 PHE B CG 1 ATOM 3015 C CD1 . PHE B 2 129 ? -53.153 36.932 48.540 1.00 198.66 ? 630 PHE B CD1 1 ATOM 3016 C CD2 . PHE B 2 129 ? -53.054 35.690 50.591 1.00 200.27 ? 630 PHE B CD2 1 ATOM 3017 C CE1 . PHE B 2 129 ? -54.293 37.587 48.990 1.00 197.89 ? 630 PHE B CE1 1 ATOM 3018 C CE2 . PHE B 2 129 ? -54.193 36.342 51.044 1.00 199.22 ? 630 PHE B CE2 1 ATOM 3019 C CZ . PHE B 2 129 ? -54.814 37.292 50.243 1.00 198.81 ? 630 PHE B CZ 1 ATOM 3020 N N . VAL B 2 130 ? -48.411 37.084 50.444 1.00 202.09 ? 631 VAL B N 1 ATOM 3021 C CA . VAL B 2 130 ? -47.586 37.166 51.651 1.00 201.91 ? 631 VAL B CA 1 ATOM 3022 C C . VAL B 2 130 ? -48.178 38.174 52.639 1.00 201.48 ? 631 VAL B C 1 ATOM 3023 O O . VAL B 2 130 ? -48.376 39.340 52.288 1.00 201.77 ? 631 VAL B O 1 ATOM 3024 C CB . VAL B 2 130 ? -46.130 37.582 51.311 1.00 201.29 ? 631 VAL B CB 1 ATOM 3025 C CG1 . VAL B 2 130 ? -45.243 37.538 52.556 1.00 201.78 ? 631 VAL B CG1 1 ATOM 3026 C CG2 . VAL B 2 130 ? -45.558 36.697 50.204 1.00 199.05 ? 631 VAL B CG2 1 ATOM 3027 N N . ASP B 2 131 ? -48.449 37.719 53.865 1.00 199.60 ? 632 ASP B N 1 ATOM 3028 C CA . ASP B 2 131 ? -48.960 38.581 54.940 1.00 197.90 ? 632 ASP B CA 1 ATOM 3029 C C . ASP B 2 131 ? -47.817 39.035 55.849 1.00 196.97 ? 632 ASP B C 1 ATOM 3030 O O . ASP B 2 131 ? -48.038 39.697 56.861 1.00 195.51 ? 632 ASP B O 1 ATOM 3031 C CB . ASP B 2 131 ? -50.060 37.867 55.748 1.00 197.20 ? 632 ASP B CB 1 ATOM 3032 C CG . ASP B 2 131 ? -49.514 36.809 56.702 1.00 197.04 ? 632 ASP B CG 1 ATOM 3033 O OD1 . ASP B 2 131 ? -48.711 35.960 56.265 1.00 196.72 ? 632 ASP B OD1 1 ATOM 3034 O OD2 . ASP B 2 131 ? -49.897 36.826 57.890 1.00 196.43 ? 632 ASP B OD2 1 HETATM 3035 C C1 . NAG C 3 . ? -37.904 -1.126 -40.328 1.00 85.54 ? 601 NAG A C1 1 HETATM 3036 C C2 . NAG C 3 . ? -37.907 0.135 -39.467 1.00 91.70 ? 601 NAG A C2 1 HETATM 3037 C C3 . NAG C 3 . ? -37.027 1.196 -40.120 1.00 92.80 ? 601 NAG A C3 1 HETATM 3038 C C4 . NAG C 3 . ? -35.624 0.630 -40.318 1.00 92.85 ? 601 NAG A C4 1 HETATM 3039 C C5 . NAG C 3 . ? -35.713 -0.634 -41.180 1.00 92.44 ? 601 NAG A C5 1 HETATM 3040 C C6 . NAG C 3 . ? -34.367 -1.301 -41.470 1.00 92.28 ? 601 NAG A C6 1 HETATM 3041 C C7 . NAG C 3 . ? -39.812 0.969 -38.127 1.00 96.46 ? 601 NAG A C7 1 HETATM 3042 C C8 . NAG C 3 . ? -41.247 1.417 -38.191 1.00 97.38 ? 601 NAG A C8 1 HETATM 3043 N N2 . NAG C 3 . ? -39.274 0.607 -39.299 1.00 93.00 ? 601 NAG A N2 1 HETATM 3044 O O3 . NAG C 3 . ? -36.978 2.369 -39.302 1.00 96.91 ? 601 NAG A O3 1 HETATM 3045 O O4 . NAG C 3 . ? -34.761 1.598 -40.925 1.00 93.22 ? 601 NAG A O4 1 HETATM 3046 O O5 . NAG C 3 . ? -36.561 -1.582 -40.524 1.00 90.36 ? 601 NAG A O5 1 HETATM 3047 O O6 . NAG C 3 . ? -33.425 -1.120 -40.405 1.00 92.91 ? 601 NAG A O6 1 HETATM 3048 O O7 . NAG C 3 . ? -39.208 0.953 -37.063 1.00 96.11 ? 601 NAG A O7 1 HETATM 3049 C C1 . NAG D 3 . ? -71.730 -2.719 -37.459 1.00 142.83 ? 602 NAG A C1 1 HETATM 3050 C C2 . NAG D 3 . ? -73.218 -2.400 -37.634 1.00 151.36 ? 602 NAG A C2 1 HETATM 3051 C C3 . NAG D 3 . ? -74.133 -3.498 -37.073 1.00 152.72 ? 602 NAG A C3 1 HETATM 3052 C C4 . NAG D 3 . ? -73.415 -4.568 -36.237 1.00 153.46 ? 602 NAG A C4 1 HETATM 3053 C C5 . NAG D 3 . ? -72.053 -5.014 -36.798 1.00 150.94 ? 602 NAG A C5 1 HETATM 3054 C C6 . NAG D 3 . ? -72.138 -6.392 -37.453 1.00 148.98 ? 602 NAG A C6 1 HETATM 3055 C C7 . NAG D 3 . ? -74.040 -0.060 -37.625 1.00 153.99 ? 602 NAG A C7 1 HETATM 3056 C C8 . NAG D 3 . ? -74.257 1.157 -36.771 1.00 152.56 ? 602 NAG A C8 1 HETATM 3057 N N2 . NAG D 3 . ? -73.510 -1.119 -36.997 1.00 152.76 ? 602 NAG A N2 1 HETATM 3058 O O3 . NAG D 3 . ? -74.814 -4.138 -38.162 1.00 153.23 ? 602 NAG A O3 1 HETATM 3059 O O4 . NAG D 3 . ? -73.235 -4.066 -34.906 1.00 152.87 ? 602 NAG A O4 1 HETATM 3060 O O5 . NAG D 3 . ? -71.526 -4.100 -37.767 1.00 147.30 ? 602 NAG A O5 1 HETATM 3061 O O6 . NAG D 3 . ? -72.226 -7.412 -36.452 1.00 146.85 ? 602 NAG A O6 1 HETATM 3062 O O7 . NAG D 3 . ? -74.337 -0.051 -38.810 1.00 154.71 ? 602 NAG A O7 1 HETATM 3063 C C1 . NAG E 3 . ? -43.368 7.933 -48.071 1.00 109.96 ? 603 NAG A C1 1 HETATM 3064 C C2 . NAG E 3 . ? -42.334 8.895 -48.658 1.00 116.68 ? 603 NAG A C2 1 HETATM 3065 C C3 . NAG E 3 . ? -42.321 10.245 -47.946 1.00 117.47 ? 603 NAG A C3 1 HETATM 3066 C C4 . NAG E 3 . ? -43.732 10.800 -47.793 1.00 118.83 ? 603 NAG A C4 1 HETATM 3067 C C5 . NAG E 3 . ? -44.617 9.762 -47.103 1.00 119.04 ? 603 NAG A C5 1 HETATM 3068 C C6 . NAG E 3 . ? -46.047 10.255 -46.876 1.00 119.37 ? 603 NAG A C6 1 HETATM 3069 C C7 . NAG E 3 . ? -40.345 7.776 -49.588 1.00 118.24 ? 603 NAG A C7 1 HETATM 3070 C C8 . NAG E 3 . ? -39.000 7.204 -49.250 1.00 116.32 ? 603 NAG A C8 1 HETATM 3071 N N2 . NAG E 3 . ? -41.014 8.292 -48.555 1.00 118.25 ? 603 NAG A N2 1 HETATM 3072 O O3 . NAG E 3 . ? -41.513 11.165 -48.689 1.00 117.57 ? 603 NAG A O3 1 HETATM 3073 O O4 . NAG E 3 . ? -43.690 12.018 -47.042 1.00 119.63 ? 603 NAG A O4 1 HETATM 3074 O O5 . NAG E 3 . ? -44.641 8.575 -47.904 1.00 114.76 ? 603 NAG A O5 1 HETATM 3075 O O6 . NAG E 3 . ? -46.672 10.573 -48.126 1.00 119.89 ? 603 NAG A O6 1 HETATM 3076 O O7 . NAG E 3 . ? -40.772 7.758 -50.732 1.00 119.91 ? 603 NAG A O7 1 HETATM 3077 C C1 . NAG F 3 . ? -38.675 -9.480 -55.291 1.00 134.22 ? 604 NAG A C1 1 HETATM 3078 C C2 . NAG F 3 . ? -37.815 -9.984 -54.110 1.00 144.03 ? 604 NAG A C2 1 HETATM 3079 C C3 . NAG F 3 . ? -38.438 -11.202 -53.434 1.00 145.83 ? 604 NAG A C3 1 HETATM 3080 C C4 . NAG F 3 . ? -39.851 -10.831 -53.011 1.00 145.40 ? 604 NAG A C4 1 HETATM 3081 C C5 . NAG F 3 . ? -40.713 -10.609 -54.245 1.00 143.31 ? 604 NAG A C5 1 HETATM 3082 C C6 . NAG F 3 . ? -42.022 -9.934 -53.838 1.00 141.72 ? 604 NAG A C6 1 HETATM 3083 C C7 . NAG F 3 . ? -35.365 -10.146 -53.749 1.00 141.92 ? 604 NAG A C7 1 HETATM 3084 C C8 . NAG F 3 . ? -34.044 -10.447 -54.392 1.00 141.69 ? 604 NAG A C8 1 HETATM 3085 N N2 . NAG F 3 . ? -36.441 -10.243 -54.547 1.00 142.93 ? 604 NAG A N2 1 HETATM 3086 O O3 . NAG F 3 . ? -37.676 -11.609 -52.290 1.00 146.20 ? 604 NAG A O3 1 HETATM 3087 O O4 . NAG F 3 . ? -40.430 -11.866 -52.208 1.00 148.74 ? 604 NAG A O4 1 HETATM 3088 O O5 . NAG F 3 . ? -40.082 -9.831 -55.282 1.00 140.14 ? 604 NAG A O5 1 HETATM 3089 O O6 . NAG F 3 . ? -42.842 -9.719 -54.991 1.00 141.90 ? 604 NAG A O6 1 HETATM 3090 O O7 . NAG F 3 . ? -35.420 -9.838 -52.569 1.00 140.61 ? 604 NAG A O7 1 HETATM 3091 C C1 . GOL G 4 . ? -61.136 20.426 -39.332 1.00 91.99 ? 605 GOL A C1 1 HETATM 3092 O O1 . GOL G 4 . ? -60.750 21.619 -38.640 1.00 90.92 ? 605 GOL A O1 1 HETATM 3093 C C2 . GOL G 4 . ? -62.091 19.601 -38.474 1.00 92.02 ? 605 GOL A C2 1 HETATM 3094 O O2 . GOL G 4 . ? -61.805 19.808 -37.089 1.00 91.61 ? 605 GOL A O2 1 HETATM 3095 C C3 . GOL G 4 . ? -63.537 19.993 -38.762 1.00 96.85 ? 605 GOL A C3 1 HETATM 3096 O O3 . GOL G 4 . ? -64.426 19.303 -37.872 1.00 99.53 ? 605 GOL A O3 1 HETATM 3097 C C1 . GOL H 4 . ? -47.066 15.345 -37.450 1.00 127.02 ? 606 GOL A C1 1 HETATM 3098 O O1 . GOL H 4 . ? -48.045 14.307 -37.587 1.00 122.31 ? 606 GOL A O1 1 HETATM 3099 C C2 . GOL H 4 . ? -45.869 14.846 -36.638 1.00 126.76 ? 606 GOL A C2 1 HETATM 3100 O O2 . GOL H 4 . ? -44.653 15.331 -37.226 1.00 125.91 ? 606 GOL A O2 1 HETATM 3101 C C3 . GOL H 4 . ? -45.972 15.320 -35.189 1.00 125.29 ? 606 GOL A C3 1 HETATM 3102 O O3 . GOL H 4 . ? -44.864 14.830 -34.425 1.00 122.07 ? 606 GOL A O3 1 HETATM 3103 S S . DMS I 5 . ? -36.246 11.485 -29.062 1.00 151.21 ? 607 DMS A S 1 HETATM 3104 O O . DMS I 5 . ? -36.491 10.089 -28.631 1.00 148.48 ? 607 DMS A O 1 HETATM 3105 C C1 . DMS I 5 . ? -37.731 12.323 -29.158 1.00 148.78 ? 607 DMS A C1 1 HETATM 3106 C C2 . DMS I 5 . ? -35.486 12.348 -27.799 1.00 148.73 ? 607 DMS A C2 1 HETATM 3107 C C1 . NAG J 3 . ? -62.679 4.071 -14.174 1.00 67.12 ? 701 NAG B C1 1 HETATM 3108 C C2 . NAG J 3 . ? -62.882 4.288 -15.666 1.00 71.45 ? 701 NAG B C2 1 HETATM 3109 C C3 . NAG J 3 . ? -64.058 3.466 -16.172 1.00 74.49 ? 701 NAG B C3 1 HETATM 3110 C C4 . NAG J 3 . ? -63.818 1.987 -15.864 1.00 78.43 ? 701 NAG B C4 1 HETATM 3111 C C5 . NAG J 3 . ? -63.510 1.814 -14.377 1.00 75.97 ? 701 NAG B C5 1 HETATM 3112 C C6 . NAG J 3 . ? -63.103 0.387 -14.018 1.00 75.34 ? 701 NAG B C6 1 HETATM 3113 C C7 . NAG J 3 . ? -62.332 6.411 -16.763 1.00 70.61 ? 701 NAG B C7 1 HETATM 3114 C C8 . NAG J 3 . ? -62.754 7.836 -16.955 1.00 68.70 ? 701 NAG B C8 1 HETATM 3115 N N2 . NAG J 3 . ? -63.121 5.689 -15.965 1.00 71.25 ? 701 NAG B N2 1 HETATM 3116 O O3 . NAG J 3 . ? -64.199 3.724 -17.574 1.00 74.72 ? 701 NAG B O3 1 HETATM 3117 O O4 . NAG J 3 . ? -64.970 1.182 -16.153 1.00 90.65 ? 701 NAG B O4 1 HETATM 3118 O O5 . NAG J 3 . ? -62.445 2.675 -13.975 1.00 73.58 ? 701 NAG B O5 1 HETATM 3119 O O6 . NAG J 3 . ? -61.919 0.004 -14.734 1.00 73.20 ? 701 NAG B O6 1 HETATM 3120 O O7 . NAG J 3 . ? -61.328 5.967 -17.302 1.00 72.37 ? 701 NAG B O7 1 HETATM 3121 C C1 . NAG K 3 . ? -65.161 0.882 -17.549 1.00 103.66 ? 702 NAG B C1 1 HETATM 3122 C C2 . NAG K 3 . ? -65.446 -0.611 -17.737 1.00 111.21 ? 702 NAG B C2 1 HETATM 3123 C C3 . NAG K 3 . ? -65.675 -0.894 -19.218 1.00 117.08 ? 702 NAG B C3 1 HETATM 3124 C C4 . NAG K 3 . ? -66.813 -0.006 -19.716 1.00 121.95 ? 702 NAG B C4 1 HETATM 3125 C C5 . NAG K 3 . ? -66.506 1.466 -19.452 1.00 118.09 ? 702 NAG B C5 1 HETATM 3126 C C6 . NAG K 3 . ? -67.675 2.347 -19.908 1.00 117.99 ? 702 NAG B C6 1 HETATM 3127 C C7 . NAG K 3 . ? -64.529 -2.303 -16.184 1.00 109.85 ? 702 NAG B C7 1 HETATM 3128 C C8 . NAG K 3 . ? -63.306 -3.084 -15.795 1.00 109.60 ? 702 NAG B C8 1 HETATM 3129 N N2 . NAG K 3 . ? -64.376 -1.453 -17.211 1.00 111.57 ? 702 NAG B N2 1 HETATM 3130 O O3 . NAG K 3 . ? -66.000 -2.279 -19.405 1.00 117.63 ? 702 NAG B O3 1 HETATM 3131 O O4 . NAG K 3 . ? -67.059 -0.197 -21.124 1.00 132.08 ? 702 NAG B O4 1 HETATM 3132 O O5 . NAG K 3 . ? -66.254 1.649 -18.057 1.00 110.60 ? 702 NAG B O5 1 HETATM 3133 O O6 . NAG K 3 . ? -67.611 3.666 -19.349 1.00 116.81 ? 702 NAG B O6 1 HETATM 3134 O O7 . NAG K 3 . ? -65.579 -2.451 -15.576 1.00 108.48 ? 702 NAG B O7 1 HETATM 3135 C C1 . BMA L 6 . ? -68.283 -0.924 -21.378 1.00 135.30 ? 703 BMA B C1 1 HETATM 3136 C C2 . BMA L 6 . ? -68.874 -0.531 -22.731 1.00 133.26 ? 703 BMA B C2 1 HETATM 3137 C C3 . BMA L 6 . ? -70.144 -1.341 -22.999 1.00 134.93 ? 703 BMA B C3 1 HETATM 3138 C C4 . BMA L 6 . ? -69.889 -2.837 -22.818 1.00 138.04 ? 703 BMA B C4 1 HETATM 3139 C C5 . BMA L 6 . ? -69.238 -3.113 -21.458 1.00 141.93 ? 703 BMA B C5 1 HETATM 3140 C C6 . BMA L 6 . ? -68.849 -4.573 -21.248 1.00 146.77 ? 703 BMA B C6 1 HETATM 3141 O O2 . BMA L 6 . ? -67.916 -0.747 -23.774 1.00 127.33 ? 703 BMA B O2 1 HETATM 3142 O O3 . BMA L 6 . ? -70.625 -1.080 -24.324 1.00 132.61 ? 703 BMA B O3 1 HETATM 3143 O O4 . BMA L 6 . ? -71.128 -3.548 -22.924 1.00 137.11 ? 703 BMA B O4 1 HETATM 3144 O O5 . BMA L 6 . ? -68.053 -2.332 -21.318 1.00 139.98 ? 703 BMA B O5 1 HETATM 3145 O O6 . BMA L 6 . ? -67.917 -4.996 -22.259 1.00 154.27 ? 703 BMA B O6 1 HETATM 3146 C C1 . MAN M 7 . ? -67.527 -6.395 -22.218 1.00 162.50 ? 704 MAN B C1 1 HETATM 3147 C C2 . MAN M 7 . ? -68.462 -7.223 -23.114 1.00 166.17 ? 704 MAN B C2 1 HETATM 3148 C C3 . MAN M 7 . ? -69.655 -7.843 -22.386 1.00 167.87 ? 704 MAN B C3 1 HETATM 3149 C C4 . MAN M 7 . ? -69.229 -8.535 -21.098 1.00 168.66 ? 704 MAN B C4 1 HETATM 3150 C C5 . MAN M 7 . ? -68.395 -7.621 -20.201 1.00 170.46 ? 704 MAN B C5 1 HETATM 3151 C C6 . MAN M 7 . ? -67.778 -8.431 -19.062 1.00 170.62 ? 704 MAN B C6 1 HETATM 3152 O O2 . MAN M 7 . ? -67.692 -8.262 -23.735 1.00 170.28 ? 704 MAN B O2 1 HETATM 3153 O O3 . MAN M 7 . ? -70.310 -8.794 -23.235 1.00 167.40 ? 704 MAN B O3 1 HETATM 3154 O O4 . MAN M 7 . ? -70.405 -8.956 -20.394 1.00 167.19 ? 704 MAN B O4 1 HETATM 3155 O O5 . MAN M 7 . ? -67.326 -6.958 -20.903 1.00 166.93 ? 704 MAN B O5 1 HETATM 3156 O O6 . MAN M 7 . ? -67.091 -7.559 -18.158 1.00 172.64 ? 704 MAN B O6 1 HETATM 3157 C C11 . T0R N 8 . ? -43.402 16.175 -8.908 1.00 82.56 ? 705 T0R B C11 1 HETATM 3158 C C14 . T0R N 8 . ? -47.533 11.816 -8.955 1.00 71.20 ? 705 T0R B C14 1 HETATM 3159 CL CL . T0R N 8 . ? -47.280 11.880 -5.173 1.00 97.87 ? 705 T0R B CL 1 HETATM 3160 C C9 . T0R N 8 . ? -46.443 10.521 -5.965 1.00 90.39 ? 705 T0R B C9 1 HETATM 3161 C C4 . T0R N 8 . ? -45.249 10.920 -6.834 1.00 88.47 ? 705 T0R B C4 1 HETATM 3162 C C2 . T0R N 8 . ? -44.982 12.396 -7.127 1.00 82.70 ? 705 T0R B C2 1 HETATM 3163 C C6 . T0R N 8 . ? -44.087 13.098 -6.138 1.00 81.54 ? 705 T0R B C6 1 HETATM 3164 C C16 . T0R N 8 . ? -42.722 12.804 -6.134 1.00 82.97 ? 705 T0R B C16 1 HETATM 3165 C C22 . T0R N 8 . ? -41.860 13.440 -5.239 1.00 83.58 ? 705 T0R B C22 1 HETATM 3166 C C24 . T0R N 8 . ? -42.362 14.379 -4.341 1.00 83.20 ? 705 T0R B C24 1 HETATM 3167 C C21 . T0R N 8 . ? -43.724 14.675 -4.344 1.00 83.26 ? 705 T0R B C21 1 HETATM 3168 C C15 . T0R N 8 . ? -44.587 14.040 -5.239 1.00 81.73 ? 705 T0R B C15 1 HETATM 3169 C C1 . T0R N 8 . ? -45.443 13.051 -8.227 1.00 78.47 ? 705 T0R B C1 1 HETATM 3170 C C5 . T0R N 8 . ? -46.310 12.405 -9.276 1.00 72.72 ? 705 T0R B C5 1 HETATM 3171 C C20 . T0R N 8 . ? -48.314 11.233 -9.953 1.00 70.78 ? 705 T0R B C20 1 HETATM 3172 C C23 . T0R N 8 . ? -47.889 11.244 -11.284 1.00 71.81 ? 705 T0R B C23 1 HETATM 3173 C C19 . T0R N 8 . ? -46.672 11.836 -11.612 1.00 71.13 ? 705 T0R B C19 1 HETATM 3174 C C13 . T0R N 8 . ? -45.889 12.417 -10.610 1.00 71.54 ? 705 T0R B C13 1 HETATM 3175 C C3 . T0R N 8 . ? -45.101 14.497 -8.514 1.00 80.61 ? 705 T0R B C3 1 HETATM 3176 C C8 . T0R N 8 . ? -46.082 15.468 -8.736 1.00 81.06 ? 705 T0R B C8 1 HETATM 3177 C C12 . T0R N 8 . ? -45.723 16.792 -9.027 1.00 81.06 ? 705 T0R B C12 1 HETATM 3178 C C10 . T0R N 8 . ? -44.372 17.151 -9.115 1.00 83.77 ? 705 T0R B C10 1 HETATM 3179 C C7 . T0R N 8 . ? -43.759 14.865 -8.628 1.00 80.96 ? 705 T0R B C7 1 HETATM 3180 O O . T0R N 8 . ? -43.895 18.415 -9.384 1.00 88.78 ? 705 T0R B O 1 HETATM 3181 C C18 . T0R N 8 . ? -44.631 19.551 -9.822 1.00 95.58 ? 705 T0R B C18 1 HETATM 3182 C C17 . T0R N 8 . ? -43.765 20.788 -9.593 1.00 97.67 ? 705 T0R B C17 1 HETATM 3183 N N . T0R N 8 . ? -44.212 21.878 -10.483 1.00 101.57 ? 705 T0R B N 1 HETATM 3184 C C26 . T0R N 8 . ? -43.088 22.765 -10.838 1.00 103.81 ? 705 T0R B C26 1 HETATM 3185 C C25 . T0R N 8 . ? -45.296 22.659 -9.857 1.00 101.71 ? 705 T0R B C25 1 HETATM 3186 O O . HOH O 9 . ? -48.415 25.800 -23.543 1.00 67.76 ? 701 HOH A O 1 HETATM 3187 O O . HOH O 9 . ? -48.966 21.666 -24.170 1.00 53.88 ? 702 HOH A O 1 HETATM 3188 O O . HOH O 9 . ? -42.201 12.182 -27.973 1.00 75.79 ? 703 HOH A O 1 HETATM 3189 O O . HOH O 9 . ? -65.679 18.695 -23.876 1.00 57.09 ? 704 HOH A O 1 HETATM 3190 O O . HOH O 9 . ? -47.641 4.452 -18.455 1.00 72.40 ? 705 HOH A O 1 HETATM 3191 O O . HOH O 9 . ? -61.525 16.336 -32.223 1.00 64.07 ? 706 HOH A O 1 HETATM 3192 O O . HOH O 9 . ? -59.763 18.679 6.664 1.00 83.31 ? 707 HOH A O 1 HETATM 3193 O O . HOH O 9 . ? -57.611 15.462 -39.092 1.00 73.19 ? 708 HOH A O 1 HETATM 3194 O O . HOH O 9 . ? -49.261 10.895 -17.608 1.00 54.79 ? 709 HOH A O 1 HETATM 3195 O O . HOH O 9 . ? -54.796 14.285 -41.752 1.00 75.27 ? 710 HOH A O 1 HETATM 3196 O O . HOH O 9 . ? -53.434 4.592 -14.124 1.00 60.42 ? 711 HOH A O 1 HETATM 3197 O O . HOH O 9 . ? -64.674 25.180 -26.349 1.00 65.92 ? 712 HOH A O 1 HETATM 3198 O O . HOH O 9 . ? -53.697 12.762 -32.701 1.00 69.67 ? 713 HOH A O 1 HETATM 3199 O O . HOH O 9 . ? -49.201 6.952 -40.832 1.00 68.14 ? 714 HOH A O 1 HETATM 3200 O O . HOH O 9 . ? -39.740 5.892 -23.808 1.00 67.38 ? 715 HOH A O 1 HETATM 3201 O O . HOH O 9 . ? -49.750 8.702 7.281 1.00 82.91 ? 716 HOH A O 1 HETATM 3202 O O . HOH O 9 . ? -48.940 19.415 -32.309 1.00 72.95 ? 717 HOH A O 1 HETATM 3203 O O . HOH O 9 . ? -64.786 16.038 -38.212 1.00 70.79 ? 718 HOH A O 1 HETATM 3204 O O . HOH O 9 . ? -51.979 20.258 -35.574 1.00 69.88 ? 719 HOH A O 1 HETATM 3205 O O . HOH O 9 . ? -72.986 14.317 -33.241 1.00 76.47 ? 720 HOH A O 1 HETATM 3206 O O . HOH O 9 . ? -58.212 24.012 -32.735 1.00 71.59 ? 721 HOH A O 1 HETATM 3207 O O . HOH O 9 . ? -52.502 16.616 -42.664 1.00 77.88 ? 722 HOH A O 1 HETATM 3208 O O . HOH O 9 . ? -67.221 7.942 -34.292 1.00 60.92 ? 723 HOH A O 1 HETATM 3209 O O . HOH O 9 . ? -46.969 16.001 -31.326 1.00 62.11 ? 724 HOH A O 1 HETATM 3210 O O . HOH O 9 . ? -49.131 24.068 -30.894 1.00 73.79 ? 725 HOH A O 1 HETATM 3211 O O . HOH O 9 . ? -45.647 18.735 -30.603 1.00 65.07 ? 726 HOH A O 1 HETATM 3212 O O . HOH O 9 . ? -43.085 17.854 -26.203 1.00 63.59 ? 727 HOH A O 1 HETATM 3213 O O . HOH O 9 . ? -68.609 22.199 -30.518 1.00 71.74 ? 728 HOH A O 1 HETATM 3214 O O . HOH O 9 . ? -42.314 3.196 -20.658 1.00 71.20 ? 729 HOH A O 1 HETATM 3215 O O . HOH O 9 . ? -35.361 12.792 -18.497 1.00 65.56 ? 730 HOH A O 1 HETATM 3216 O O . HOH O 9 . ? -51.910 16.882 5.393 1.00 82.68 ? 731 HOH A O 1 HETATM 3217 O O . HOH O 9 . ? -60.127 23.181 -30.572 1.00 78.98 ? 732 HOH A O 1 HETATM 3218 O O . HOH P 9 . ? -55.495 23.017 9.499 1.00 67.46 ? 801 HOH B O 1 HETATM 3219 O O . HOH P 9 . ? -52.357 27.071 -22.340 1.00 61.45 ? 802 HOH B O 1 HETATM 3220 O O . HOH P 9 . ? -58.048 28.926 -15.189 1.00 58.71 ? 803 HOH B O 1 HETATM 3221 O O . HOH P 9 . ? -61.568 24.454 -19.284 1.00 59.75 ? 804 HOH B O 1 HETATM 3222 O O . HOH P 9 . ? -44.658 4.359 -14.737 1.00 66.03 ? 805 HOH B O 1 HETATM 3223 O O . HOH P 9 . ? -62.402 27.156 -15.523 1.00 53.39 ? 806 HOH B O 1 HETATM 3224 O O . HOH P 9 . ? -62.706 3.879 -3.525 1.00 80.12 ? 807 HOH B O 1 HETATM 3225 O O . HOH P 9 . ? -58.193 4.859 1.482 1.00 82.89 ? 808 HOH B O 1 HETATM 3226 O O . HOH P 9 . ? -36.199 18.247 -8.033 1.00 90.85 ? 809 HOH B O 1 HETATM 3227 O O . HOH P 9 . ? -57.436 27.519 -26.466 1.00 75.98 ? 810 HOH B O 1 HETATM 3228 O O . HOH P 9 . ? -26.888 34.142 -15.013 1.00 83.23 ? 811 HOH B O 1 HETATM 3229 O O . HOH P 9 . ? -60.627 24.238 -25.045 1.00 61.44 ? 812 HOH B O 1 HETATM 3230 O O . HOH P 9 . ? -29.146 29.893 -28.858 1.00 77.61 ? 813 HOH B O 1 HETATM 3231 O O . HOH P 9 . ? -61.131 31.112 -22.012 1.00 56.80 ? 814 HOH B O 1 HETATM 3232 O O . HOH P 9 . ? -65.427 29.106 9.622 1.00 72.74 ? 815 HOH B O 1 HETATM 3233 O O . HOH P 9 . ? -65.280 27.822 15.006 1.00 82.93 ? 816 HOH B O 1 HETATM 3234 O O . HOH P 9 . ? -65.346 10.191 -5.093 1.00 75.32 ? 817 HOH B O 1 HETATM 3235 O O . HOH P 9 . ? -55.101 30.510 -12.526 1.00 65.15 ? 818 HOH B O 1 HETATM 3236 O O . HOH P 9 . ? -57.746 29.894 -22.792 1.00 57.87 ? 819 HOH B O 1 HETATM 3237 O O . HOH P 9 . ? -56.728 32.751 -16.406 0.33 57.39 ? 820 HOH B O 1 HETATM 3238 O O . HOH P 9 . ? -55.050 30.617 -23.757 1.00 67.83 ? 821 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 . GLY A 3 ? 1.1466 1.5420 1.5520 -0.0953 0.1777 -0.1251 30 GLY A N 2 C CA . GLY A 3 ? 1.1756 1.5186 1.5486 -0.0754 0.1711 -0.1160 30 GLY A CA 3 C C . GLY A 3 ? 1.2348 1.5507 1.5760 -0.0846 0.1894 -0.1081 30 GLY A C 4 O O . GLY A 3 ? 1.2886 1.6356 1.6350 -0.0979 0.2085 -0.1125 30 GLY A O 5 N N . ARG A 4 ? 1.2391 1.4984 1.5471 -0.0779 0.1837 -0.0966 31 ARG A N 6 C CA . ARG A 4 ? 1.2657 1.4921 1.5381 -0.0819 0.1972 -0.0885 31 ARG A CA 7 C C . ARG A 4 ? 1.1948 1.3705 1.4407 -0.0630 0.1830 -0.0797 31 ARG A C 8 O O . ARG A 4 ? 1.1820 1.3383 1.4315 -0.0567 0.1668 -0.0760 31 ARG A O 9 C CB . ARG A 4 ? 1.3501 1.5564 1.6035 -0.1131 0.2128 -0.0805 31 ARG A CB 10 C CG . ARG A 4 ? 1.4326 1.6045 1.6458 -0.1199 0.2282 -0.0719 31 ARG A CG 11 C CD . ARG A 4 ? 1.4758 1.6821 1.6912 -0.1146 0.2436 -0.0793 31 ARG A CD 12 N NE . ARG A 4 ? 1.5219 1.7883 1.7697 -0.1316 0.2581 -0.0895 31 ARG A NE 13 C CZ . ARG A 4 ? 1.5811 1.8628 1.8207 -0.1563 0.2818 -0.0890 31 ARG A CZ 14 N NH1 . ARG A 4 ? 1.6320 1.8688 1.8268 -0.1676 0.2949 -0.0780 31 ARG A NH1 15 N NH2 . ARG A 4 ? 1.5789 1.9233 1.8556 -0.1706 0.2926 -0.0998 31 ARG A NH2 16 N N . SER A 5 ? 1.1150 1.2719 1.3349 -0.0544 0.1892 -0.0768 32 SER A N 17 C CA . SER A 5 ? 1.0350 1.1472 1.2294 -0.0376 0.1763 -0.0693 32 SER A CA 18 C C . SER A 5 ? 0.9543 1.0223 1.1317 -0.0454 0.1688 -0.0572 32 SER A C 19 O O . SER A 5 ? 0.9746 1.0253 1.1364 -0.0650 0.1799 -0.0509 32 SER A O 20 C CB . SER A 5 ? 1.0730 1.1702 1.2367 -0.0336 0.1876 -0.0675 32 SER A CB 21 O OG . SER A 5 ? 1.1130 1.1701 1.2532 -0.0175 0.1738 -0.0613 32 SER A OG 22 N N . ILE A 6 ? 0.8531 0.9024 1.0325 -0.0299 0.1503 -0.0543 33 ILE A N 23 C CA . ILE A 6 ? 0.7991 0.8108 0.9649 -0.0335 0.1427 -0.0438 33 ILE A CA 24 C C . ILE A 6 ? 0.8044 0.7780 0.9339 -0.0334 0.1474 -0.0350 33 ILE A C 25 O O . ILE A 6 ? 0.7792 0.7454 0.8968 -0.0194 0.1429 -0.0356 33 ILE A O 26 C CB . ILE A 6 ? 0.7545 0.7596 0.9325 -0.0177 0.1230 -0.0429 33 ILE A CB 27 C CG1 . ILE A 6 ? 0.7243 0.7610 0.9331 -0.0178 0.1171 -0.0505 33 ILE A CG1 28 C CG2 . ILE A 6 ? 0.7574 0.7270 0.9212 -0.0199 0.1170 -0.0324 33 ILE A CG2 29 C CD1 . ILE A 6 ? 0.7051 0.7384 0.9244 -0.0017 0.0988 -0.0509 33 ILE A CD1 30 N N . PRO A 7 ? 0.8110 0.7577 0.9204 -0.0482 0.1552 -0.0272 34 PRO A N 31 C CA . PRO A 7 ? 0.8359 0.7432 0.9075 -0.0468 0.1584 -0.0185 34 PRO A CA 32 C C . PRO A 7 ? 0.8263 0.7097 0.8901 -0.0282 0.1411 -0.0134 34 PRO A C 33 O O . PRO A 7 ? 0.8134 0.6987 0.8955 -0.0224 0.1289 -0.0127 34 PRO A O 34 C CB . PRO A 7 ? 0.8627 0.7433 0.9164 -0.0649 0.1669 -0.0116 34 PRO A CB 35 C CG . PRO A 7 ? 0.8611 0.7732 0.9423 -0.0803 0.1727 -0.0182 34 PRO A CG 36 C CD . PRO A 7 ? 0.8177 0.7648 0.9346 -0.0660 0.1601 -0.0261 34 PRO A CD 37 N N . LEU A 8 ? 0.8509 0.7125 0.8868 -0.0202 0.1406 -0.0099 35 LEU A N 38 C CA . LEU A 8 ? 0.8503 0.6882 0.8751 -0.0043 0.1245 -0.0048 35 LEU A CA 39 C C . LEU A 8 ? 0.8973 0.6942 0.8832 -0.0067 0.1282 0.0046 35 LEU A C 40 O O . LEU A 8 ? 0.9268 0.7114 0.8848 -0.0130 0.1405 0.0059 35 LEU A O 41 C CB . LEU A 8 ? 0.8493 0.6970 0.8734 0.0094 0.1175 -0.0105 35 LEU A CB 42 C CG . LEU A 8 ? 0.8524 0.6803 0.8670 0.0250 0.0990 -0.0070 35 LEU A CG 43 C CD1 . LEU A 8 ? 0.8140 0.6475 0.8551 0.0291 0.0845 -0.0050 35 LEU A CD1 44 C CD2 . LEU A 8 ? 0.8497 0.6864 0.8611 0.0363 0.0938 -0.0145 35 LEU A CD2 45 N N . GLY A 9 ? 0.9175 0.6934 0.9005 -0.0012 0.1179 0.0111 36 GLY A N 46 C CA . GLY A 9 ? 0.9689 0.7031 0.9143 0.0007 0.1179 0.0201 36 GLY A CA 47 C C . GLY A 9 ? 0.9945 0.7129 0.9191 0.0164 0.1065 0.0223 36 GLY A C 48 O O . GLY A 9 ? 0.9915 0.7248 0.9359 0.0287 0.0915 0.0195 36 GLY A O 49 N N . VAL A 10 ? 1.0516 0.7377 0.9341 0.0149 0.1130 0.0275 37 VAL A N 50 C CA . VAL A 10 ? 1.0773 0.7420 0.9326 0.0298 0.1014 0.0303 37 VAL A CA 51 C C . VAL A 10 ? 1.1405 0.7574 0.9484 0.0296 0.1048 0.0399 37 VAL A C 52 O O . VAL A 10 ? 1.1590 0.7596 0.9495 0.0141 0.1207 0.0433 37 VAL A O 53 C CB . VAL A 10 ? 1.0774 0.7562 0.9259 0.0302 0.1068 0.0237 37 VAL A CB 54 C CG1 . VAL A 10 ? 1.1087 0.7839 0.9352 0.0131 0.1306 0.0237 37 VAL A CG1 55 C CG2 . VAL A 10 ? 1.0996 0.7569 0.9204 0.0462 0.0922 0.0253 37 VAL A CG2 56 N N . ILE A 11 ? 1.1858 0.7794 0.9720 0.0464 0.0888 0.0442 38 ILE A N 57 C CA . ILE A 11 ? 1.2659 0.8101 1.0035 0.0506 0.0881 0.0535 38 ILE A CA 58 C C . ILE A 11 ? 1.3356 0.8537 1.0260 0.0509 0.0932 0.0557 38 ILE A C 59 O O . ILE A 11 ? 1.3301 0.8544 1.0183 0.0636 0.0804 0.0525 38 ILE A O 60 C CB . ILE A 11 ? 1.2650 0.7995 1.0075 0.0712 0.0659 0.0570 38 ILE A CB 61 C CG1 . ILE A 11 ? 1.2328 0.7867 1.0133 0.0696 0.0651 0.0559 38 ILE A CG1 62 C CG2 . ILE A 11 ? 1.3342 0.8155 1.0226 0.0803 0.0619 0.0661 38 ILE A CG2 63 C CD1 . ILE A 11 ? 1.2176 0.7825 1.0207 0.0889 0.0444 0.0564 38 ILE A CD1 64 N N . HIS A 12 ? 1.4170 0.9047 1.0683 0.0358 0.1120 0.0610 39 HIS A N 65 C CA . HIS A 12 ? 1.5015 0.9537 1.0971 0.0353 0.1185 0.0657 39 HIS A CA 66 C C . HIS A 12 ? 1.5581 0.9516 1.1012 0.0330 0.1214 0.0772 39 HIS A C 67 O O . HIS A 12 ? 1.5632 0.9469 1.1100 0.0203 0.1305 0.0802 39 HIS A O 68 C CB . HIS A 12 ? 1.5513 1.0229 1.1440 0.0155 0.1429 0.0612 39 HIS A CB 69 C CG . HIS A 12 ? 1.5543 1.0775 1.1895 0.0196 0.1410 0.0495 39 HIS A CG 70 N ND1 . HIS A 12 ? 1.5562 1.1182 1.2184 0.0037 0.1599 0.0421 39 HIS A ND1 71 C CD2 . HIS A 12 ? 1.5343 1.0750 1.1884 0.0381 0.1216 0.0436 39 HIS A CD2 72 C CE1 . HIS A 12 ? 1.5186 1.1171 1.2123 0.0144 0.1520 0.0322 39 HIS A CE1 73 N NE2 . HIS A 12 ? 1.5103 1.0948 1.1987 0.0340 0.1290 0.0332 39 HIS A NE2 74 N N . ASN A 13 ? 1.5963 0.9479 1.0876 0.0453 0.1131 0.0833 40 ASN A N 75 C CA . ASN A 13 ? 1.6570 0.9441 1.0877 0.0453 0.1146 0.0950 40 ASN A CA 76 C C . ASN A 13 ? 1.6330 0.9039 1.0743 0.0527 0.1046 0.0987 40 ASN A C 77 O O . ASN A 13 ? 1.6790 0.9125 1.0913 0.0394 0.1165 0.1052 40 ASN A O 78 C CB . ASN A 13 ? 1.7036 0.9679 1.0968 0.0174 0.1433 0.0996 40 ASN A CB 79 C CG . ASN A 13 ? 1.7355 1.0097 1.1087 0.0121 0.1549 0.0967 40 ASN A CG 80 O OD1 . ASN A 13 ? 1.7633 1.0283 1.1168 0.0311 0.1401 0.0962 40 ASN A OD1 81 N ND2 . ASN A 13 ? 1.7541 1.0474 1.1310 -0.0138 0.1817 0.0945 40 ASN A ND2 82 N N . SER A 14 ? 1.5658 0.8654 1.0483 0.0735 0.0831 0.0941 41 SER A N 83 C CA . SER A 14 ? 1.5390 0.8337 1.0397 0.0841 0.0728 0.0956 41 SER A CA 84 C C . SER A 14 ? 1.5264 0.8315 1.0494 0.0622 0.0909 0.0939 41 SER A C 85 O O . SER A 14 ? 1.5897 0.8601 1.0935 0.0629 0.0916 0.0987 41 SER A O 86 C CB . SER A 14 ? 1.5939 0.8257 1.0374 0.1015 0.0611 0.1051 41 SER A CB 87 O OG . SER A 14 ? 1.5898 0.8152 1.0154 0.1230 0.0416 0.1059 41 SER A OG 88 N N . ALA A 15 ? 1.4810 0.8328 1.0430 0.0442 0.1043 0.0866 42 ALA A N 89 C CA . ALA A 15 ? 1.4595 0.8286 1.0474 0.0225 0.1202 0.0835 42 ALA A CA 90 C C . ALA A 15 ? 1.4007 0.8360 1.0504 0.0161 0.1229 0.0729 42 ALA A C 91 O O . ALA A 15 ? 1.3857 0.8468 1.0447 0.0163 0.1242 0.0684 42 ALA A O 92 C CB . ALA A 15 ? 1.5005 0.8370 1.0463 -0.0034 0.1428 0.0884 42 ALA A CB 93 N N . LEU A 16 ? 1.3581 0.8172 1.0462 0.0114 0.1233 0.0689 43 LEU A N 94 C CA . LEU A 16 ? 1.2983 0.8142 1.0400 0.0037 0.1267 0.0596 43 LEU A CA 95 C C . LEU A 16 ? 1.3181 0.8452 1.0561 -0.0219 0.1485 0.0569 43 LEU A C 96 O O . LEU A 16 ? 1.3511 0.8481 1.0606 -0.0394 0.1618 0.0614 43 LEU A O 97 C CB . LEU A 16 ? 1.2554 0.7889 1.0332 0.0057 0.1212 0.0567 43 LEU A CB 98 C CG . LEU A 16 ? 1.2053 0.7947 1.0383 0.0027 0.1198 0.0478 43 LEU A CG 99 C CD1 . LEU A 16 ? 1.1727 0.7884 1.0284 0.0206 0.1040 0.0446 43 LEU A CD1 100 C CD2 . LEU A 16 ? 1.1857 0.7824 1.0426 0.0013 0.1178 0.0463 43 LEU A CD2 101 N N . GLN A 17 ? 1.3193 0.8893 1.0849 -0.0239 0.1520 0.0493 44 GLN A N 102 C CA . GLN A 17 ? 1.3222 0.9150 1.0924 -0.0457 0.1724 0.0448 44 GLN A CA 103 C C . GLN A 17 ? 1.2582 0.9090 1.0823 -0.0444 0.1704 0.0339 44 GLN A C 104 O O . GLN A 17 ? 1.2118 0.8796 1.0597 -0.0263 0.1541 0.0307 44 GLN A O 105 C CB . GLN A 17 ? 1.3746 0.9523 1.1069 -0.0465 0.1813 0.0470 44 GLN A CB 106 C CG . GLN A 17 ? 1.4584 0.9742 1.1316 -0.0423 0.1791 0.0583 44 GLN A CG 107 C CD . GLN A 17 ? 1.5290 1.0269 1.1591 -0.0489 0.1927 0.0612 44 GLN A CD 108 O OE1 . GLN A 17 ? 1.5497 1.0792 1.1923 -0.0446 0.1956 0.0543 44 GLN A OE1 109 N NE2 . GLN A 17 ? 1.5983 1.0423 1.1738 -0.0591 0.2012 0.0714 44 GLN A NE2 110 N N . VAL A 18 ? 1.2788 0.9592 1.1213 -0.0641 0.1865 0.0283 45 VAL A N 111 C CA . VAL A 18 ? 1.2491 0.9843 1.1366 -0.0618 0.1864 0.0173 45 VAL A CA 112 C C . VAL A 18 ? 1.2564 1.0009 1.1306 -0.0540 0.1907 0.0139 45 VAL A C 113 O O . VAL A 18 ? 1.2702 1.0040 1.1149 -0.0664 0.2078 0.0160 45 VAL A O 114 C CB . VAL A 18 ? 1.2553 1.0235 1.1678 -0.0845 0.2018 0.0114 45 VAL A CB 115 C CG1 . VAL A 18 ? 1.2305 1.0548 1.1860 -0.0784 0.2008 -0.0005 45 VAL A CG1 116 C CG2 . VAL A 18 ? 1.2446 1.0016 1.1678 -0.0928 0.1971 0.0138 45 VAL A CG2 117 N N . SER A 19 ? 1.2651 1.0278 1.1592 -0.0341 0.1756 0.0084 46 SER A N 118 C CA . SER A 19 ? 1.3003 1.0737 1.1846 -0.0235 0.1771 0.0030 46 SER A CA 119 C C . SER A 19 ? 1.3303 1.1436 1.2302 -0.0361 0.1970 -0.0056 46 SER A C 120 O O . SER A 19 ? 1.2891 1.1418 1.2302 -0.0388 0.1968 -0.0133 46 SER A O 121 C CB . SER A 19 ? 1.2627 1.0498 1.1709 -0.0025 0.1558 -0.0023 46 SER A CB 122 O OG . SER A 19 ? 1.2841 1.0789 1.1813 0.0086 0.1559 -0.0088 46 SER A OG 123 N N . ASP A 20 ? 1.4220 1.2259 1.2886 -0.0434 0.2140 -0.0043 47 ASP A N 124 C CA . ASP A 20 ? 1.4790 1.3230 1.3583 -0.0569 0.2361 -0.0122 47 ASP A CA 125 C C . ASP A 20 ? 1.4569 1.3404 1.3618 -0.0381 0.2312 -0.0251 47 ASP A C 126 O O . ASP A 20 ? 1.4576 1.3251 1.3394 -0.0208 0.2243 -0.0265 47 ASP A O 127 C CB . ASP A 20 ? 1.5762 1.3950 1.4075 -0.0710 0.2570 -0.0059 47 ASP A CB 128 C CG . ASP A 20 ? 1.6325 1.4923 1.4784 -0.0936 0.2832 -0.0115 47 ASP A CG 129 O OD1 . ASP A 20 ? 1.6927 1.5448 1.5358 -0.1185 0.2942 -0.0059 47 ASP A OD1 130 O OD2 . ASP A 20 ? 1.6306 1.5311 1.4912 -0.0866 0.2924 -0.0222 47 ASP A OD2 131 N N . VAL A 21 ? 1.4481 1.3806 1.3983 -0.0408 0.2339 -0.0349 48 VAL A N 132 C CA . VAL A 21 ? 1.4427 1.4107 1.4204 -0.0203 0.2255 -0.0476 48 VAL A CA 133 C C . VAL A 21 ? 1.4701 1.4528 1.4290 -0.0133 0.2407 -0.0550 48 VAL A C 134 O O . VAL A 21 ? 1.4563 1.4350 1.4081 0.0088 0.2296 -0.0611 48 VAL A O 135 C CB . VAL A 21 ? 1.4139 1.4317 1.4428 -0.0246 0.2252 -0.0565 48 VAL A CB 136 C CG1 . VAL A 21 ? 1.3923 1.4448 1.4452 -0.0020 0.2177 -0.0702 48 VAL A CG1 137 C CG2 . VAL A 21 ? 1.3989 1.4015 1.4451 -0.0279 0.2085 -0.0504 48 VAL A CG2 138 N N . ASP A 22 ? 1.5077 1.5060 1.4568 -0.0331 0.2662 -0.0544 49 ASP A N 139 C CA . ASP A 22 ? 1.5553 1.5762 1.4897 -0.0290 0.2854 -0.0623 49 ASP A CA 140 C C . ASP A 22 ? 1.5789 1.5527 1.4578 -0.0184 0.2849 -0.0569 49 ASP A C 141 O O . ASP A 22 ? 1.5863 1.5737 1.4523 -0.0048 0.2929 -0.0656 49 ASP A O 142 C CB . ASP A 22 ? 1.6106 1.6638 1.5512 -0.0572 0.3145 -0.0625 49 ASP A CB 143 C CG . ASP A 22 ? 1.5998 1.7078 1.5972 -0.0672 0.3157 -0.0704 49 ASP A CG 144 O OD1 . ASP A 22 ? 1.6262 1.7487 1.6306 -0.0959 0.3325 -0.0669 49 ASP A OD1 145 O OD2 . ASP A 22 ? 1.5754 1.7098 1.6082 -0.0470 0.2989 -0.0801 49 ASP A OD2 146 N N . LYS A 23 ? 1.5925 1.5115 1.4378 -0.0232 0.2751 -0.0433 50 LYS A N 147 C CA . LYS A 23 ? 1.6243 1.4947 1.4149 -0.0129 0.2711 -0.0372 50 LYS A CA 148 C C . LYS A 23 ? 1.5819 1.4259 1.3721 0.0108 0.2402 -0.0373 50 LYS A C 149 O O . LYS A 23 ? 1.5461 1.3919 1.3672 0.0128 0.2226 -0.0355 50 LYS A O 150 C CB . LYS A 23 ? 1.6827 1.5074 1.4306 -0.0331 0.2808 -0.0220 50 LYS A CB 151 C CG . LYS A 23 ? 1.7316 1.5797 1.4801 -0.0617 0.3113 -0.0207 50 LYS A CG 152 C CD . LYS A 23 ? 1.8077 1.6052 1.4953 -0.0786 0.3260 -0.0072 50 LYS A CD 153 C CE . LYS A 23 ? 1.8432 1.6688 1.5296 -0.1082 0.3591 -0.0075 50 LYS A CE 154 N NZ . LYS A 23 ? 1.8601 1.7301 1.5504 -0.1022 0.3784 -0.0193 50 LYS A NZ 155 N N . LEU A 24 ? 1.5866 1.4070 1.3407 0.0276 0.2343 -0.0397 51 LEU A N 156 C CA . LEU A 24 ? 1.5591 1.3544 1.3084 0.0490 0.2053 -0.0408 51 LEU A CA 157 C C . LEU A 24 ? 1.5816 1.3218 1.2796 0.0496 0.1975 -0.0289 51 LEU A C 158 O O . LEU A 24 ? 1.6313 1.3518 1.2841 0.0467 0.2123 -0.0265 51 LEU A O 159 C CB . LEU A 24 ? 1.5712 1.3818 1.3173 0.0694 0.2025 -0.0548 51 LEU A CB 160 C CG . LEU A 24 ? 1.5486 1.3475 1.3042 0.0904 0.1729 -0.0605 51 LEU A CG 161 C CD1 . LEU A 24 ? 1.5563 1.3679 1.3018 0.1090 0.1752 -0.0751 51 LEU A CD1 162 C CD2 . LEU A 24 ? 1.5674 1.3172 1.2907 0.0954 0.1515 -0.0510 51 LEU A CD2 163 N N . VAL A 25 ? 1.5412 1.2577 1.2455 0.0540 0.1743 -0.0218 52 VAL A N 164 C CA . VAL A 25 ? 1.5637 1.2299 1.2232 0.0586 0.1619 -0.0114 52 VAL A CA 165 C C . VAL A 25 ? 1.5220 1.1766 1.1826 0.0792 0.1329 -0.0159 52 VAL A C 166 O O . VAL A 25 ? 1.4695 1.1314 1.1640 0.0831 0.1137 -0.0152 52 VAL A O 167 C CB . VAL A 25 ? 1.5823 1.2290 1.2452 0.0467 0.1592 0.0011 52 VAL A CB 168 C CG1 . VAL A 25 ? 1.6403 1.2334 1.2469 0.0498 0.1535 0.0122 52 VAL A CG1 169 C CG2 . VAL A 25 ? 1.5724 1.2411 1.2524 0.0243 0.1840 0.0028 52 VAL A CG2 170 N N . CYS A 26 ? 1.5399 1.1767 1.1624 0.0912 0.1303 -0.0208 53 CYS A N 171 C CA . CYS A 26 ? 1.5456 1.1673 1.1628 0.1092 0.1022 -0.0257 53 CYS A CA 172 C C . CYS A 26 ? 1.5881 1.1782 1.1945 0.1127 0.0787 -0.0154 53 CYS A C 173 O O . CYS A 26 ? 1.5748 1.1633 1.1960 0.1230 0.0533 -0.0185 53 CYS A O 174 C CB . CYS A 26 ? 1.5722 1.1770 1.1439 0.1210 0.1052 -0.0333 53 CYS A CB 175 S SG . CYS A 26 ? 1.5487 1.1940 1.1368 0.1255 0.1256 -0.0495 53 CYS A SG 176 N N . ARG A 27 ? 1.6722 1.2374 1.2520 0.1044 0.0871 -0.0036 54 ARG A N 177 C CA . ARG A 27 ? 1.7092 1.2478 1.2819 0.1089 0.0666 0.0062 54 ARG A CA 178 C C . ARG A 27 ? 1.6156 1.1809 1.2452 0.1071 0.0538 0.0068 54 ARG A C 179 O O . ARG A 27 ? 1.5889 1.1461 1.2264 0.1161 0.0299 0.0095 54 ARG A O 180 C CB . ARG A 27 ? 1.8136 1.3177 1.3443 0.1002 0.0807 0.0186 54 ARG A CB 181 C CG . ARG A 27 ? 1.8778 1.3550 1.4018 0.1064 0.0614 0.0289 54 ARG A CG 182 C CD . ARG A 27 ? 1.9889 1.4202 1.4575 0.1013 0.0727 0.0408 54 ARG A CD 183 N NE . ARG A 27 ? 2.0952 1.4866 1.5054 0.1140 0.0619 0.0430 54 ARG A NE 184 C CZ . ARG A 27 ? 2.1961 1.5533 1.5468 0.1089 0.0790 0.0476 54 ARG A CZ 185 N NH1 . ARG A 27 ? 2.2561 1.5770 1.5550 0.1230 0.0649 0.0490 54 ARG A NH1 186 N NH2 . ARG A 27 ? 2.2193 1.5777 1.5598 0.0891 0.1098 0.0510 54 ARG A NH2 187 N N . ASP A 28 ? 1.5555 1.1538 1.2240 0.0954 0.0696 0.0040 55 ASP A N 188 C CA . ASP A 28 ? 1.4915 1.1157 1.2122 0.0933 0.0592 0.0040 55 ASP A CA 189 C C . ASP A 28 ? 1.4302 1.0685 1.1743 0.1044 0.0372 -0.0040 55 ASP A C 190 O O . ASP A 28 ? 1.4118 1.0558 1.1485 0.1097 0.0381 -0.0133 55 ASP A O 191 C CB . ASP A 28 ? 1.4861 1.1429 1.2408 0.0793 0.0796 0.0011 55 ASP A CB 192 C CG . ASP A 28 ? 1.5259 1.1694 1.2652 0.0645 0.0988 0.0099 55 ASP A CG 193 O OD1 . ASP A 28 ? 1.5267 1.1949 1.2858 0.0509 0.1178 0.0071 55 ASP A OD1 194 O OD2 . ASP A 28 ? 1.5529 1.1607 1.2600 0.0662 0.0942 0.0194 55 ASP A OD2 195 N N . LYS A 29 ? 1.3678 1.0107 1.1386 0.1075 0.0179 -0.0007 56 LYS A N 196 C CA . LYS A 29 ? 1.3411 0.9934 1.1320 0.1151 -0.0048 -0.0067 56 LYS A CA 197 C C . LYS A 29 ? 1.2375 0.9188 1.0800 0.1096 -0.0104 -0.0067 56 LYS A C 198 O O . LYS A 29 ? 1.2363 0.9208 1.0950 0.1067 -0.0125 0.0006 56 LYS A O 199 C CB . LYS A 29 ? 1.4082 1.0360 1.1755 0.1251 -0.0272 -0.0029 56 LYS A CB 200 C CG . LYS A 29 ? 1.4769 1.1091 1.2552 0.1313 -0.0510 -0.0101 56 LYS A CG 201 C CD . LYS A 29 ? 1.5650 1.1693 1.3061 0.1417 -0.0706 -0.0096 56 LYS A CD 202 C CE . LYS A 29 ? 1.6044 1.2106 1.3527 0.1453 -0.0929 -0.0184 56 LYS A CE 203 N NZ . LYS A 29 ? 1.6717 1.2513 1.3834 0.1549 -0.1142 -0.0191 56 LYS A NZ 204 N N . LEU A 30 ? 1.1588 0.8590 1.0240 0.1092 -0.0122 -0.0150 57 LEU A N 205 C CA . LEU A 30 ? 1.0908 0.8139 0.9996 0.1047 -0.0209 -0.0154 57 LEU A CA 206 C C . LEU A 30 ? 1.0820 0.8010 0.9947 0.1100 -0.0442 -0.0206 57 LEU A C 207 O O . LEU A 30 ? 1.0779 0.7980 0.9894 0.1130 -0.0461 -0.0292 57 LEU A O 208 C CB . LEU A 30 ? 1.0452 0.7917 0.9769 0.0987 -0.0044 -0.0201 57 LEU A CB 209 C CG . LEU A 30 ? 0.9919 0.7604 0.9651 0.0930 -0.0094 -0.0194 57 LEU A CG 210 C CD1 . LEU A 30 ? 0.9669 0.7405 0.9561 0.0864 -0.0062 -0.0101 57 LEU A CD1 211 C CD2 . LEU A 30 ? 0.9827 0.7714 0.9716 0.0905 0.0038 -0.0263 57 LEU A CD2 212 N N . SER A 31 ? 1.0775 0.7910 0.9937 0.1114 -0.0624 -0.0157 58 SER A N 213 C CA . SER A 31 ? 1.0902 0.7991 1.0096 0.1135 -0.0863 -0.0200 58 SER A CA 214 C C . SER A 31 ? 1.0286 0.7583 0.9883 0.1051 -0.0935 -0.0203 58 SER A C 215 O O . SER A 31 ? 1.0242 0.7493 0.9872 0.1037 -0.1106 -0.0250 58 SER A O 216 C CB . SER A 31 ? 1.1259 0.8239 1.0331 0.1180 -0.1040 -0.0153 58 SER A CB 217 O OG . SER A 31 ? 1.1459 0.8620 1.0820 0.1145 -0.1052 -0.0072 58 SER A OG 218 N N . SER A 32 ? 0.9792 0.7287 0.9664 0.0988 -0.0809 -0.0151 59 SER A N 219 C CA . SER A 32 ? 0.9572 0.7254 0.9800 0.0905 -0.0860 -0.0141 59 SER A CA 220 C C . SER A 32 ? 0.9171 0.7020 0.9592 0.0857 -0.0668 -0.0116 59 SER A C 221 O O . SER A 32 ? 0.9116 0.6966 0.9460 0.0865 -0.0518 -0.0081 59 SER A O 222 C CB . SER A 32 ? 0.9611 0.7399 1.0038 0.0869 -0.1010 -0.0079 59 SER A CB 223 O OG . SER A 32 ? 0.9282 0.7291 1.0056 0.0782 -0.0975 -0.0038 59 SER A OG 224 N N . THR A 33 ? 0.8912 0.6877 0.9564 0.0797 -0.0686 -0.0131 60 THR A N 225 C CA . THR A 33 ? 0.8814 0.6939 0.9654 0.0750 -0.0532 -0.0117 60 THR A CA 226 C C . THR A 33 ? 0.8738 0.7003 0.9789 0.0696 -0.0496 -0.0031 60 THR A C 227 O O . THR A 33 ? 0.8581 0.6951 0.9748 0.0659 -0.0361 -0.0013 60 THR A O 228 C CB . THR A 33 ? 0.8832 0.6987 0.9785 0.0728 -0.0575 -0.0170 60 THR A CB 229 O OG1 . THR A 33 ? 0.9112 0.7394 1.0152 0.0721 -0.0418 -0.0190 60 THR A OG1 230 C CG2 . THR A 33 ? 0.8672 0.6885 0.9840 0.0645 -0.0699 -0.0126 60 THR A CG2 231 N N . ASN A 34 ? 0.9102 0.7375 1.0198 0.0701 -0.0621 0.0012 61 ASN A N 232 C CA . ASN A 34 ? 0.9217 0.7606 1.0456 0.0699 -0.0587 0.0084 61 ASN A CA 233 C C . ASN A 34 ? 0.8972 0.7252 1.0014 0.0757 -0.0462 0.0112 61 ASN A C 234 O O . ASN A 34 ? 0.8977 0.7323 1.0115 0.0755 -0.0385 0.0160 61 ASN A O 235 C CB . ASN A 34 ? 0.9854 0.8301 1.1173 0.0717 -0.0764 0.0112 61 ASN A CB 236 C CG . ASN A 34 ? 1.0247 0.8835 1.1810 0.0620 -0.0881 0.0109 61 ASN A CG 237 O OD1 . ASN A 34 ? 1.0816 0.9503 1.2549 0.0545 -0.0810 0.0117 61 ASN A OD1 238 N ND2 . ASN A 34 ? 1.0551 0.9136 1.2116 0.0611 -0.1066 0.0098 61 ASN A ND2 239 N N . GLN A 35 ? 0.9063 0.7149 0.9801 0.0810 -0.0445 0.0085 62 GLN A N 240 C CA . GLN A 35 ? 0.9225 0.7157 0.9720 0.0842 -0.0311 0.0115 62 GLN A CA 241 C C . GLN A 35 ? 0.8795 0.6785 0.9343 0.0766 -0.0113 0.0110 62 GLN A C 242 O O . GLN A 35 ? 0.8646 0.6516 0.9037 0.0758 0.0004 0.0147 62 GLN A O 243 C CB . GLN A 35 ? 0.9907 0.7616 1.0036 0.0900 -0.0321 0.0086 62 GLN A CB 244 C CG . GLN A 35 ? 1.0272 0.7866 1.0261 0.0985 -0.0518 0.0094 62 GLN A CG 245 C CD . GLN A 35 ? 1.0891 0.8234 1.0467 0.1044 -0.0513 0.0062 62 GLN A CD 246 O OE1 . GLN A 35 ? 1.1324 0.8611 1.0810 0.1076 -0.0645 0.0007 62 GLN A OE1 247 N NE2 . GLN A 35 ? 1.0975 0.8147 1.0276 0.1048 -0.0354 0.0095 62 GLN A NE2 248 N N . LEU A 36 ? 0.8474 0.6622 0.9218 0.0709 -0.0088 0.0062 63 LEU A N 249 C CA . LEU A 36 ? 0.8251 0.6502 0.9093 0.0635 0.0070 0.0048 63 LEU A CA 250 C C . LEU A 36 ? 0.8115 0.6487 0.9199 0.0594 0.0073 0.0092 63 LEU A C 251 O O . LEU A 36 ? 0.8107 0.6579 0.9379 0.0598 -0.0041 0.0104 63 LEU A O 252 C CB . LEU A 36 ? 0.8047 0.6410 0.8962 0.0621 0.0085 -0.0032 63 LEU A CB 253 C CG . LEU A 36 ? 0.8259 0.6526 0.8914 0.0663 0.0144 -0.0085 63 LEU A CG 254 C CD1 . LEU A 36 ? 0.8207 0.6574 0.8926 0.0697 0.0116 -0.0175 63 LEU A CD1 255 C CD2 . LEU A 36 ? 0.8391 0.6640 0.8916 0.0600 0.0339 -0.0072 63 LEU A CD2 256 N N . ARG A 37 ? 0.8268 0.6619 0.9328 0.0547 0.0209 0.0115 64 ARG A N 257 C CA . ARG A 37 ? 0.8272 0.6704 0.9512 0.0519 0.0229 0.0152 64 ARG A CA 258 C C . ARG A 37 ? 0.8138 0.6615 0.9411 0.0429 0.0371 0.0130 64 ARG A C 259 O O . ARG A 37 ? 0.8203 0.6597 0.9310 0.0384 0.0478 0.0112 64 ARG A O 260 C CB . ARG A 37 ? 0.8588 0.6878 0.9711 0.0586 0.0216 0.0215 64 ARG A CB 261 C CG . ARG A 37 ? 0.8889 0.7151 0.9979 0.0685 0.0063 0.0238 64 ARG A CG 262 C CD . ARG A 37 ? 0.8948 0.7436 1.0332 0.0683 -0.0058 0.0238 64 ARG A CD 263 N NE . ARG A 37 ? 0.9318 0.7804 1.0679 0.0747 -0.0219 0.0241 64 ARG A NE 264 C CZ . ARG A 37 ? 0.9576 0.8037 1.0896 0.0844 -0.0300 0.0278 64 ARG A CZ 265 N NH1 . ARG A 37 ? 0.9780 0.8187 1.1057 0.0905 -0.0232 0.0317 64 ARG A NH1 266 N NH2 . ARG A 37 ? 0.9823 0.8302 1.1132 0.0888 -0.0463 0.0270 64 ARG A NH2 267 N N . SER A 38 ? 0.8072 0.6686 0.9555 0.0392 0.0369 0.0131 65 SER A N 268 C CA . SER A 38 ? 0.8002 0.6659 0.9528 0.0307 0.0480 0.0111 65 SER A CA 269 C C . SER A 38 ? 0.8001 0.6604 0.9552 0.0318 0.0499 0.0159 65 SER A C 270 O O . SER A 38 ? 0.7775 0.6454 0.9456 0.0370 0.0422 0.0189 65 SER A O 271 C CB . SER A 38 ? 0.7673 0.6524 0.9391 0.0270 0.0453 0.0060 65 SER A CB 272 O OG . SER A 38 ? 0.7808 0.6728 0.9674 0.0304 0.0345 0.0085 65 SER A OG 273 N N . VAL A 39 ? 0.8121 0.6602 0.9548 0.0260 0.0607 0.0160 66 VAL A N 274 C CA . VAL A 39 ? 0.8165 0.6484 0.9492 0.0304 0.0632 0.0205 66 VAL A CA 275 C C . VAL A 39 ? 0.8078 0.6343 0.9373 0.0207 0.0730 0.0183 66 VAL A C 276 O O . VAL A 39 ? 0.8313 0.6587 0.9567 0.0095 0.0800 0.0144 66 VAL A O 277 C CB . VAL A 39 ? 0.8574 0.6649 0.9635 0.0366 0.0634 0.0242 66 VAL A CB 278 C CG1 . VAL A 39 ? 0.9069 0.6853 0.9866 0.0327 0.0735 0.0261 66 VAL A CG1 279 C CG2 . VAL A 39 ? 0.8617 0.6715 0.9726 0.0508 0.0516 0.0281 66 VAL A CG2 280 N N . GLY A 40 ? 0.7848 0.6079 0.9171 0.0250 0.0734 0.0201 67 GLY A N 281 C CA . GLY A 40 ? 0.7989 0.6130 0.9249 0.0167 0.0812 0.0177 67 GLY A CA 282 C C . GLY A 40 ? 0.8279 0.6098 0.9276 0.0215 0.0861 0.0206 67 GLY A C 283 O O . GLY A 40 ? 0.8091 0.5863 0.9075 0.0357 0.0823 0.0240 67 GLY A O 284 N N . LEU A 41 ? 0.8544 0.6143 0.9329 0.0096 0.0943 0.0189 68 LEU A N 285 C CA . LEU A 41 ? 0.8894 0.6106 0.9368 0.0120 0.0991 0.0212 68 LEU A CA 286 C C . LEU A 41 ? 0.8938 0.6068 0.9368 0.0016 0.1044 0.0169 68 LEU A C 287 O O . LEU A 41 ? 0.8956 0.6232 0.9488 -0.0144 0.1075 0.0122 68 LEU A O 288 C CB . LEU A 41 ? 0.9186 0.6121 0.9370 0.0044 0.1044 0.0237 68 LEU A CB 289 C CG . LEU A 41 ? 0.9300 0.6160 0.9377 0.0165 0.0992 0.0288 68 LEU A CG 290 C CD1 . LEU A 41 ? 0.9373 0.6181 0.9448 0.0389 0.0904 0.0324 68 LEU A CD1 291 C CD2 . LEU A 41 ? 0.9003 0.6200 0.9318 0.0142 0.0955 0.0268 68 LEU A CD2 292 N N . ASN A 42 ? 0.9118 0.6014 0.9389 0.0119 0.1050 0.0178 69 ASN A N 293 C CA . ASN A 42 ? 0.9248 0.6040 0.9452 0.0052 0.1086 0.0133 69 ASN A CA 294 C C . ASN A 42 ? 0.9715 0.6116 0.9589 -0.0104 0.1152 0.0117 69 ASN A C 295 O O . ASN A 42 ? 1.0009 0.6089 0.9608 -0.0083 0.1172 0.0158 69 ASN A O 296 C CB . ASN A 42 ? 0.9327 0.6039 0.9489 0.0251 0.1070 0.0142 69 ASN A CB 297 C CG . ASN A 42 ? 0.8930 0.6043 0.9425 0.0377 0.1015 0.0160 69 ASN A CG 298 O OD1 . ASN A 42 ? 0.8625 0.6054 0.9376 0.0294 0.0987 0.0150 69 ASN A OD1 299 N ND2 . ASN A 42 ? 0.8975 0.6078 0.9465 0.0576 0.0998 0.0184 69 ASN A ND2 300 N N . LEU A 43 ? 0.9905 0.6318 0.9787 -0.0266 0.1178 0.0059 70 LEU A N 301 C CA . LEU A 43 ? 1.0554 0.6605 1.0134 -0.0456 0.1236 0.0036 70 LEU A CA 302 C C . LEU A 43 ? 1.1074 0.6586 1.0244 -0.0359 0.1251 0.0055 70 LEU A C 303 O O . LEU A 43 ? 1.1466 0.6573 1.0302 -0.0483 0.1295 0.0068 70 LEU A O 304 C CB . LEU A 43 ? 1.0648 0.6847 1.0340 -0.0638 0.1238 -0.0040 70 LEU A CB 305 C CG . LEU A 43 ? 1.0557 0.7213 1.0581 -0.0792 0.1229 -0.0082 70 LEU A CG 306 C CD1 . LEU A 43 ? 1.0787 0.7391 1.0749 -0.1029 0.1246 -0.0154 70 LEU A CD1 307 C CD2 . LEU A 43 ? 1.0559 0.7350 1.0650 -0.0842 0.1265 -0.0048 70 LEU A CD2 308 N N . GLU A 44 ? 1.1191 0.6696 1.0378 -0.0146 0.1217 0.0050 71 GLU A N 309 C CA . GLU A 44 ? 1.1576 0.6633 1.0418 0.0043 0.1216 0.0070 71 GLU A CA 310 C C . GLU A 44 ? 1.1717 0.6409 1.0259 0.0078 0.1221 0.0133 71 GLU A C 311 O O . GLU A 44 ? 1.2153 0.6304 1.0267 0.0054 0.1242 0.0137 71 GLU A O 312 C CB . GLU A 44 ? 1.1662 0.6986 1.0720 0.0315 0.1177 0.0083 71 GLU A CB 313 C CG . GLU A 44 ? 1.1841 0.7202 1.0921 0.0393 0.1188 0.0029 71 GLU A CG 314 C CD . GLU A 44 ? 1.1820 0.7514 1.1151 0.0636 0.1167 0.0048 71 GLU A CD 315 O OE1 . GLU A 44 ? 1.1558 0.7495 1.1090 0.0727 0.1128 0.0098 71 GLU A OE1 316 O OE2 . GLU A 44 ? 1.2334 0.8055 1.1659 0.0730 0.1190 0.0009 71 GLU A OE2 317 N N . GLY A 45 ? 1.1212 0.6176 0.9952 0.0138 0.1194 0.0182 72 GLY A N 318 C CA . GLY A 45 ? 1.1426 0.6083 0.9891 0.0201 0.1184 0.0248 72 GLY A CA 319 C C . GLY A 45 ? 1.1659 0.5997 0.9833 -0.0054 0.1253 0.0267 72 GLY A C 320 O O . GLY A 45 ? 1.1932 0.5949 0.9809 -0.0018 0.1253 0.0328 72 GLY A O 321 N N . ASN A 46 ? 1.1561 0.6012 0.9826 -0.0315 0.1309 0.0216 73 ASN A N 322 C CA . ASN A 46 ? 1.1908 0.6069 0.9903 -0.0601 0.1390 0.0221 73 ASN A CA 323 C C . ASN A 46 ? 1.2367 0.6000 0.9975 -0.0708 0.1413 0.0192 73 ASN A C 324 O O . ASN A 46 ? 1.2757 0.6101 1.0107 -0.0973 0.1480 0.0197 73 ASN A O 325 C CB . ASN A 46 ? 1.1534 0.6202 0.9899 -0.0840 0.1434 0.0173 73 ASN A CB 326 C CG . ASN A 46 ? 1.0895 0.6050 0.9611 -0.0750 0.1411 0.0191 73 ASN A CG 327 O OD1 . ASN A 46 ? 1.0707 0.6338 0.9791 -0.0840 0.1412 0.0141 73 ASN A OD1 328 N ND2 . ASN A 46 ? 1.0984 0.6005 0.9570 -0.0568 0.1380 0.0257 73 ASN A ND2 329 N N . GLY A 47 ? 1.2357 0.5872 0.9923 -0.0515 0.1361 0.0159 74 GLY A N 330 C CA . GLY A 47 ? 1.2843 0.5778 0.9978 -0.0554 0.1366 0.0127 74 GLY A CA 331 C C . GLY A 47 ? 1.2638 0.5692 0.9886 -0.0749 0.1374 0.0038 74 GLY A C 332 O O . GLY A 47 ? 1.3285 0.5838 1.0153 -0.0869 0.1383 0.0006 74 GLY A O 333 N N . VAL A 48 ? 1.1982 0.5658 0.9718 -0.0776 0.1358 -0.0003 75 VAL A N 334 C CA . VAL A 48 ? 1.1930 0.5756 0.9787 -0.0956 0.1348 -0.0089 75 VAL A CA 335 C C . VAL A 48 ? 1.2157 0.5755 0.9852 -0.0764 0.1310 -0.0136 75 VAL A C 336 O O . VAL A 48 ? 1.2134 0.5737 0.9839 -0.0465 0.1290 -0.0109 75 VAL A O 337 C CB . VAL A 48 ? 1.1338 0.5876 0.9737 -0.1025 0.1330 -0.0121 75 VAL A CB 338 C CG1 . VAL A 48 ? 1.1143 0.5942 0.9714 -0.1179 0.1376 -0.0084 75 VAL A CG1 339 C CG2 . VAL A 48 ? 1.0949 0.5842 0.9639 -0.0743 0.1283 -0.0110 75 VAL A CG2 340 N N . ALA A 49 ? 1.2333 0.5744 0.9879 -0.0939 0.1299 -0.0212 76 ALA A N 341 C CA . ALA A 49 ? 1.2417 0.5651 0.9816 -0.0782 0.1266 -0.0273 76 ALA A CA 342 C C . ALA A 49 ? 1.1887 0.5711 0.9727 -0.0601 0.1243 -0.0281 76 ALA A C 343 O O . ALA A 49 ? 1.1473 0.5798 0.9695 -0.0730 0.1226 -0.0293 76 ALA A O 344 C CB . ALA A 49 ? 1.2681 0.5686 0.9890 -0.1046 0.1245 -0.0360 76 ALA A CB 345 N N . THR A 50 ? 1.1998 0.5758 0.9775 -0.0302 0.1244 -0.0273 77 THR A N 346 C CA . THR A 50 ? 1.1529 0.5808 0.9683 -0.0129 0.1235 -0.0270 77 THR A CA 347 C C . THR A 50 ? 1.1690 0.5916 0.9743 -0.0046 0.1232 -0.0342 77 THR A C 348 O O . THR A 50 ? 1.1396 0.6034 0.9731 0.0064 0.1233 -0.0339 77 THR A O 349 C CB . THR A 50 ? 1.1399 0.5789 0.9651 0.0152 0.1248 -0.0201 77 THR A CB 350 O OG1 . THR A 50 ? 1.1951 0.5905 0.9843 0.0380 0.1264 -0.0218 77 THR A OG1 351 C CG2 . THR A 50 ? 1.1332 0.5706 0.9611 0.0087 0.1245 -0.0131 77 THR A CG2 352 N N . ASP A 51 ? 1.2168 0.5867 0.9793 -0.0100 0.1230 -0.0405 78 ASP A N 353 C CA . ASP A 51 ? 1.2387 0.6001 0.9871 -0.0064 0.1221 -0.0487 78 ASP A CA 354 C C . ASP A 51 ? 1.2000 0.6060 0.9798 -0.0254 0.1176 -0.0521 78 ASP A C 355 O O . ASP A 51 ? 1.1778 0.6037 0.9770 -0.0491 0.1143 -0.0515 78 ASP A O 356 C CB . ASP A 51 ? 1.3183 0.6111 1.0127 -0.0145 0.1207 -0.0557 78 ASP A CB 357 C CG . ASP A 51 ? 1.3520 0.6290 1.0390 -0.0507 0.1170 -0.0575 78 ASP A CG 358 O OD1 . ASP A 51 ? 1.3775 0.6373 1.0572 -0.0590 0.1189 -0.0517 78 ASP A OD1 359 O OD2 . ASP A 51 ? 1.3720 0.6546 1.0599 -0.0712 0.1122 -0.0648 78 ASP A OD2 360 N N . VAL A 52 ? 1.1969 0.6186 0.9803 -0.0138 0.1177 -0.0558 79 VAL A N 361 C CA . VAL A 52 ? 1.1711 0.6345 0.9821 -0.0269 0.1125 -0.0582 79 VAL A CA 362 C C . VAL A 52 ? 1.1940 0.6472 0.9978 -0.0572 0.1047 -0.0652 79 VAL A C 363 O O . VAL A 52 ? 1.1556 0.6489 0.9924 -0.0727 0.0998 -0.0645 79 VAL A O 364 C CB . VAL A 52 ? 1.1753 0.6469 0.9807 -0.0096 0.1146 -0.0612 79 VAL A CB 365 C CG1 . VAL A 52 ? 1.1625 0.6579 0.9794 -0.0252 0.1069 -0.0659 79 VAL A CG1 366 C CG2 . VAL A 52 ? 1.1386 0.6462 0.9714 0.0130 0.1212 -0.0531 79 VAL A CG2 367 N N . PRO A 53 ? 1.2589 0.6594 1.0198 -0.0656 0.1031 -0.0726 80 PRO A N 368 C CA . PRO A 53 ? 1.2795 0.6720 1.0346 -0.0971 0.0951 -0.0798 80 PRO A CA 369 C C . PRO A 53 ? 1.2597 0.6724 1.0392 -0.1195 0.0950 -0.0758 80 PRO A C 370 O O . PRO A 53 ? 1.2442 0.6902 1.0485 -0.1407 0.0886 -0.0796 80 PRO A O 371 C CB . PRO A 53 ? 1.3411 0.6639 1.0407 -0.0998 0.0950 -0.0865 80 PRO A CB 372 C CG . PRO A 53 ? 1.3566 0.6607 1.0355 -0.0665 0.1010 -0.0859 80 PRO A CG 373 C CD . PRO A 53 ? 1.3055 0.6520 1.0210 -0.0465 0.1077 -0.0755 80 PRO A CD 374 N N . SER A 54 ? 1.2722 0.6653 1.0435 -0.1134 0.1020 -0.0686 81 SER A N 375 C CA . SER A 54 ? 1.2655 0.6725 1.0538 -0.1333 0.1042 -0.0641 81 SER A CA 376 C C . SER A 54 ? 1.2169 0.6891 1.0567 -0.1284 0.1043 -0.0588 81 SER A C 377 O O . SER A 54 ? 1.2140 0.7171 1.0789 -0.1490 0.1033 -0.0592 81 SER A O 378 C CB . SER A 54 ? 1.2978 0.6574 1.0546 -0.1259 0.1111 -0.0576 81 SER A CB 379 O OG . SER A 54 ? 1.3860 0.6791 1.0907 -0.1305 0.1102 -0.0628 81 SER A OG 380 N N . ALA A 55 ? 1.1839 0.6764 1.0383 -0.1014 0.1059 -0.0542 82 ALA A N 381 C CA . ALA A 55 ? 1.1260 0.6736 1.0244 -0.0943 0.1053 -0.0489 82 ALA A CA 382 C C . ALA A 55 ? 1.1033 0.6936 1.0305 -0.1059 0.0975 -0.0542 82 ALA A C 383 O O . ALA A 55 ? 1.0730 0.7028 1.0325 -0.1143 0.0955 -0.0530 82 ALA A O 384 C CB . ALA A 55 ? 1.1058 0.6610 1.0095 -0.0649 0.1086 -0.0431 82 ALA A CB 385 N N . THR A 56 ? 1.1271 0.7082 1.0406 -0.1049 0.0925 -0.0606 83 THR A N 386 C CA . THR A 56 ? 1.1125 0.7305 1.0489 -0.1127 0.0832 -0.0657 83 THR A CA 387 C C . THR A 56 ? 1.1280 0.7595 1.0751 -0.1407 0.0772 -0.0725 83 THR A C 388 O O . THR A 56 ? 1.0937 0.7689 1.0724 -0.1462 0.0700 -0.0751 83 THR A O 389 C CB . THR A 56 ? 1.1267 0.7276 1.0404 -0.1044 0.0791 -0.0709 83 THR A CB 390 O OG1 . THR A 56 ? 1.1969 0.7473 1.0699 -0.1127 0.0799 -0.0770 83 THR A OG1 391 C CG2 . THR A 56 ? 1.1122 0.7155 1.0251 -0.0777 0.0854 -0.0642 83 THR A CG2 392 N N . LYS A 57 ? 1.1679 0.7626 1.0891 -0.1581 0.0802 -0.0756 84 LYS A N 393 C CA . LYS A 57 ? 1.1795 0.7884 1.1117 -0.1880 0.0763 -0.0818 84 LYS A CA 394 C C . LYS A 57 ? 1.1175 0.7686 1.0859 -0.1942 0.0808 -0.0773 84 LYS A C 395 O O . LYS A 57 ? 1.1078 0.7896 1.0979 -0.2159 0.0773 -0.0830 84 LYS A O 396 C CB . LYS A 57 ? 1.2818 0.8357 1.1733 -0.2075 0.0793 -0.0852 84 LYS A CB 397 C CG . LYS A 57 ? 1.3516 0.8689 1.2092 -0.2103 0.0716 -0.0939 84 LYS A CG 398 C CD . LYS A 57 ? 1.4352 0.9197 1.2680 -0.2425 0.0688 -0.1012 84 LYS A CD 399 C CE . LYS A 57 ? 1.5135 0.9371 1.3055 -0.2450 0.0787 -0.0960 84 LYS A CE 400 N NZ . LYS A 57 ? 1.5778 0.9395 1.3200 -0.2286 0.0778 -0.0987 84 LYS A NZ 401 N N . ARG A 58 ? 1.0831 0.7371 1.0581 -0.1752 0.0881 -0.0679 85 ARG A N 402 C CA . ARG A 58 ? 1.0293 0.7247 1.0382 -0.1759 0.0917 -0.0637 85 ARG A CA 403 C C . ARG A 58 ? 0.9705 0.7196 1.0182 -0.1652 0.0838 -0.0652 85 ARG A C 404 O O . ARG A 58 ? 0.9479 0.7321 1.0232 -0.1660 0.0857 -0.0635 85 ARG A O 405 C CB . ARG A 58 ? 1.0181 0.6939 1.0168 -0.1594 0.1007 -0.0535 85 ARG A CB 406 C CG . ARG A 58 ? 1.0559 0.6791 1.0162 -0.1693 0.1085 -0.0508 85 ARG A CG 407 C CD . ARG A 58 ? 1.0426 0.6552 0.9980 -0.1552 0.1160 -0.0411 85 ARG A CD 408 N NE . ARG A 58 ? 1.0288 0.6298 0.9775 -0.1259 0.1150 -0.0361 85 ARG A NE 409 C CZ . ARG A 58 ? 1.0573 0.6104 0.9706 -0.1131 0.1176 -0.0335 85 ARG A CZ 410 N NH1 . ARG A 58 ? 1.0334 0.5887 0.9492 -0.0862 0.1171 -0.0297 85 ARG A NH1 411 N NH2 . ARG A 58 ? 1.1133 0.6161 0.9881 -0.1263 0.1207 -0.0348 85 ARG A NH2 412 N N . TRP A 59 ? 0.9498 0.7022 0.9964 -0.1544 0.0753 -0.0681 86 TRP A N 413 C CA . TRP A 59 ? 0.9006 0.6961 0.9776 -0.1434 0.0667 -0.0689 86 TRP A CA 414 C C . TRP A 59 ? 0.9002 0.7138 0.9842 -0.1557 0.0546 -0.0791 86 TRP A C 415 O O . TRP A 59 ? 0.9530 0.7396 1.0130 -0.1670 0.0520 -0.0846 86 TRP A O 416 C CB . TRP A 59 ? 0.8858 0.6727 0.9564 -0.1191 0.0668 -0.0622 86 TRP A CB 417 C CG . TRP A 59 ? 0.8838 0.6442 0.9397 -0.1072 0.0776 -0.0537 86 TRP A CG 418 C CD1 . TRP A 59 ? 0.8769 0.6360 0.9371 -0.1092 0.0850 -0.0490 86 TRP A CD1 419 C CD2 . TRP A 59 ? 0.8907 0.6238 0.9248 -0.0904 0.0818 -0.0494 86 TRP A CD2 420 N NE1 . TRP A 59 ? 0.8857 0.6171 0.9279 -0.0943 0.0918 -0.0421 86 TRP A NE1 421 C CE2 . TRP A 59 ? 0.9062 0.6236 0.9341 -0.0822 0.0904 -0.0425 86 TRP A CE2 422 C CE3 . TRP A 59 ? 0.9060 0.6274 0.9245 -0.0809 0.0794 -0.0509 86 TRP A CE3 423 C CZ2 . TRP A 59 ? 0.9218 0.6159 0.9320 -0.0638 0.0960 -0.0378 86 TRP A CZ2 424 C CZ3 . TRP A 59 ? 0.9256 0.6240 0.9260 -0.0635 0.0870 -0.0461 86 TRP A CZ3 425 C CH2 . TRP A 59 ? 0.9193 0.6062 0.9175 -0.0547 0.0948 -0.0399 86 TRP A CH2 426 N N . GLY A 60 ? 0.8712 0.7297 0.9869 -0.1525 0.0460 -0.0820 87 GLY A N 427 C CA . GLY A 60 ? 0.8676 0.7510 0.9950 -0.1622 0.0322 -0.0923 87 GLY A CA 428 C C . GLY A 60 ? 0.8391 0.7631 0.9944 -0.1476 0.0212 -0.0933 87 GLY A C 429 O O . GLY A 60 ? 0.7982 0.7410 0.9720 -0.1358 0.0249 -0.0879 87 GLY A O 430 N N . PHE A 61 ? 0.8508 0.7855 1.0061 -0.1481 0.0065 -0.1007 88 PHE A N 431 C CA . PHE A 61 ? 0.8339 0.7996 1.0083 -0.1328 -0.0066 -0.1022 88 PHE A CA 432 C C . PHE A 61 ? 0.8164 0.8340 1.0282 -0.1399 -0.0143 -0.1112 88 PHE A C 433 O O . PHE A 61 ? 0.8384 0.8706 1.0589 -0.1604 -0.0154 -0.1197 88 PHE A O 434 C CB . PHE A 61 ? 0.8593 0.8071 1.0104 -0.1268 -0.0194 -0.1048 88 PHE A CB 435 C CG . PHE A 61 ? 0.8798 0.7863 0.9993 -0.1142 -0.0114 -0.0953 88 PHE A CG 436 C CD1 . PHE A 61 ? 0.9127 0.7797 1.0019 -0.1216 -0.0025 -0.0949 88 PHE A CD1 437 C CD2 . PHE A 61 ? 0.8707 0.7777 0.9906 -0.0949 -0.0121 -0.0869 88 PHE A CD2 438 C CE1 . PHE A 61 ? 0.9216 0.7556 0.9842 -0.1081 0.0059 -0.0869 88 PHE A CE1 439 C CE2 . PHE A 61 ? 0.8834 0.7580 0.9775 -0.0847 -0.0033 -0.0783 88 PHE A CE2 440 C CZ . PHE A 61 ? 0.8981 0.7388 0.9651 -0.0905 0.0061 -0.0785 88 PHE A CZ 441 N N . ARG A 62 ? 0.7866 0.8318 1.0198 -0.1226 -0.0193 -0.1094 89 ARG A N 442 C CA . ARG A 62 ? 0.7544 0.8517 1.0248 -0.1237 -0.0251 -0.1178 89 ARG A CA 443 C C . ARG A 62 ? 0.7445 0.8581 1.0249 -0.0990 -0.0379 -0.1168 89 ARG A C 444 O O . ARG A 62 ? 0.7448 0.8337 1.0110 -0.0836 -0.0345 -0.1068 89 ARG A O 445 C CB . ARG A 62 ? 0.7296 0.8388 1.0153 -0.1317 -0.0079 -0.1150 89 ARG A CB 446 C CG . ARG A 62 ? 0.6939 0.8570 1.0175 -0.1283 -0.0093 -0.1219 89 ARG A CG 447 C CD . ARG A 62 ? 0.6986 0.9041 1.0466 -0.1459 -0.0166 -0.1353 89 ARG A CD 448 N NE . ARG A 62 ? 0.6725 0.9348 1.0585 -0.1361 -0.0212 -0.1433 89 ARG A NE 449 C CZ . ARG A 62 ? 0.6457 0.9355 1.0523 -0.1397 -0.0074 -0.1440 89 ARG A CZ 450 N NH1 . ARG A 62 ? 0.6301 0.9725 1.0702 -0.1273 -0.0131 -0.1527 89 ARG A NH1 451 N NH2 . ARG A 62 ? 0.6505 0.9150 1.0428 -0.1540 0.0117 -0.1365 89 ARG A NH2 452 N N . SER A 63 ? 0.7294 0.8845 1.0339 -0.0957 -0.0530 -0.1275 90 SER A N 453 C CA . SER A 63 ? 0.7026 0.8755 1.0175 -0.0714 -0.0671 -0.1285 90 SER A CA 454 C C . SER A 63 ? 0.6676 0.8862 1.0182 -0.0661 -0.0634 -0.1340 90 SER A C 455 O O . SER A 63 ? 0.6467 0.8893 1.0162 -0.0836 -0.0513 -0.1383 90 SER A O 456 C CB . SER A 63 ? 0.7261 0.9112 1.0394 -0.0663 -0.0895 -0.1372 90 SER A CB 457 O OG . SER A 63 ? 0.7567 0.8961 1.0322 -0.0664 -0.0933 -0.1312 90 SER A OG 458 N N . GLY A 64 ? 0.6519 0.8789 1.0081 -0.0418 -0.0731 -0.1334 91 GLY A N 459 C CA . GLY A 64 ? 0.6254 0.8960 1.0133 -0.0310 -0.0724 -0.1401 91 GLY A CA 460 C C . GLY A 64 ? 0.6113 0.8728 0.9998 -0.0291 -0.0544 -0.1328 91 GLY A C 461 O O . GLY A 64 ? 0.6181 0.9132 1.0298 -0.0192 -0.0524 -0.1385 91 GLY A O 462 N N . VAL A 65 ? 0.6087 0.8259 0.9717 -0.0370 -0.0418 -0.1209 92 VAL A N 463 C CA . VAL A 65 ? 0.6000 0.8053 0.9607 -0.0364 -0.0256 -0.1135 92 VAL A CA 464 C C . VAL A 65 ? 0.6164 0.7795 0.9519 -0.0213 -0.0285 -0.1019 92 VAL A C 465 O O . VAL A 65 ? 0.6463 0.7743 0.9582 -0.0266 -0.0273 -0.0943 92 VAL A O 466 C CB . VAL A 65 ? 0.5969 0.7882 0.9501 -0.0604 -0.0077 -0.1098 92 VAL A CB 467 C CG1 . VAL A 65 ? 0.5773 0.7534 0.9248 -0.0586 0.0076 -0.1017 92 VAL A CG1 468 C CG2 . VAL A 65 ? 0.5992 0.8308 0.9759 -0.0796 -0.0049 -0.1210 92 VAL A CG2 469 N N . PRO A 66 ? 0.6224 0.7887 0.9621 -0.0028 -0.0323 -0.1009 93 PRO A N 470 C CA . PRO A 66 ? 0.6351 0.7610 0.9509 0.0078 -0.0350 -0.0895 93 PRO A CA 471 C C . PRO A 66 ? 0.6424 0.7413 0.9455 -0.0025 -0.0185 -0.0793 93 PRO A C 472 O O . PRO A 66 ? 0.6417 0.7527 0.9547 -0.0095 -0.0061 -0.0805 93 PRO A O 473 C CB . PRO A 66 ? 0.6165 0.7530 0.9402 0.0279 -0.0425 -0.0925 93 PRO A CB 474 C CG . PRO A 66 ? 0.6152 0.7978 0.9650 0.0330 -0.0495 -0.1064 93 PRO A CG 475 C CD . PRO A 66 ? 0.6149 0.8201 0.9789 0.0104 -0.0370 -0.1106 93 PRO A CD 476 N N . PRO A 67 ? 0.6773 0.7409 0.9579 -0.0031 -0.0181 -0.0693 94 PRO A N 477 C CA . PRO A 67 ? 0.6857 0.7271 0.9563 -0.0101 -0.0039 -0.0602 94 PRO A CA 478 C C . PRO A 67 ? 0.6668 0.7066 0.9413 -0.0010 -0.0010 -0.0567 94 PRO A C 479 O O . PRO A 67 ? 0.6872 0.7302 0.9640 0.0124 -0.0115 -0.0582 94 PRO A O 480 C CB . PRO A 67 ? 0.6917 0.7022 0.9404 -0.0098 -0.0057 -0.0517 94 PRO A CB 481 C CG . PRO A 67 ? 0.7083 0.7190 0.9524 0.0006 -0.0218 -0.0538 94 PRO A CG 482 C CD . PRO A 67 ? 0.7063 0.7501 0.9691 0.0014 -0.0295 -0.0661 94 PRO A CD 483 N N . LYS A 68 ? 0.6382 0.6707 0.9107 -0.0081 0.0120 -0.0525 95 LYS A N 484 C CA . LYS A 68 ? 0.6278 0.6573 0.9017 -0.0011 0.0152 -0.0494 95 LYS A CA 485 C C . LYS A 68 ? 0.6300 0.6340 0.8906 -0.0053 0.0237 -0.0394 95 LYS A C 486 O O . LYS A 68 ? 0.6343 0.6284 0.8874 -0.0151 0.0317 -0.0370 95 LYS A O 487 C CB . LYS A 68 ? 0.6191 0.6739 0.9067 -0.0039 0.0226 -0.0568 95 LYS A CB 488 C CG . LYS A 68 ? 0.6214 0.7079 0.9263 0.0042 0.0140 -0.0677 95 LYS A CG 489 C CD . LYS A 68 ? 0.6345 0.7167 0.9377 0.0228 0.0034 -0.0681 95 LYS A CD 490 C CE . LYS A 68 ? 0.6443 0.7516 0.9603 0.0352 -0.0092 -0.0784 95 LYS A CE 491 N NZ . LYS A 68 ? 0.6503 0.7991 0.9885 0.0316 -0.0020 -0.0893 95 LYS A NZ 492 N N . VAL A 69 ? 0.6317 0.6253 0.8891 0.0028 0.0209 -0.0342 96 VAL A N 493 C CA . VAL A 69 ? 0.6201 0.5937 0.8680 0.0015 0.0260 -0.0250 96 VAL A CA 494 C C . VAL A 69 ? 0.6292 0.6024 0.8782 0.0066 0.0272 -0.0242 96 VAL A C 495 O O . VAL A 69 ? 0.6312 0.6111 0.8842 0.0148 0.0197 -0.0282 96 VAL A O 496 C CB . VAL A 69 ? 0.6204 0.5798 0.8617 0.0050 0.0184 -0.0184 96 VAL A CB 497 C CG1 . VAL A 69 ? 0.6274 0.5735 0.8643 0.0051 0.0220 -0.0097 96 VAL A CG1 498 C CG2 . VAL A 69 ? 0.6227 0.5789 0.8580 -0.0001 0.0190 -0.0186 96 VAL A CG2 499 N N . VAL A 70 ? 0.6359 0.5991 0.8787 0.0029 0.0359 -0.0194 97 VAL A N 500 C CA . VAL A 70 ? 0.6368 0.5958 0.8766 0.0075 0.0368 -0.0177 97 VAL A CA 501 C C . VAL A 70 ? 0.6422 0.5852 0.8754 0.0078 0.0380 -0.0090 97 VAL A C 502 O O . VAL A 70 ? 0.6520 0.5885 0.8815 0.0035 0.0433 -0.0056 97 VAL A O 503 C CB . VAL A 70 ? 0.6327 0.5984 0.8701 0.0029 0.0471 -0.0219 97 VAL A CB 504 C CG1 . VAL A 70 ? 0.6421 0.5973 0.8707 -0.0069 0.0576 -0.0190 97 VAL A CG1 505 C CG2 . VAL A 70 ? 0.6281 0.5877 0.8586 0.0090 0.0471 -0.0206 97 VAL A CG2 506 N N . ASN A 71 ? 0.6364 0.5738 0.8679 0.0134 0.0327 -0.0060 98 ASN A N 507 C CA . ASN A 71 ? 0.6588 0.5870 0.8885 0.0143 0.0319 0.0016 98 ASN A CA 508 C C . ASN A 71 ? 0.6631 0.5834 0.8838 0.0156 0.0382 0.0037 98 ASN A C 509 O O . ASN A 71 ? 0.6685 0.5883 0.8826 0.0157 0.0418 0.0000 98 ASN A O 510 C CB . ASN A 71 ? 0.6686 0.5950 0.9024 0.0175 0.0204 0.0044 98 ASN A CB 511 C CG . ASN A 71 ? 0.6811 0.6031 0.9102 0.0223 0.0154 0.0033 98 ASN A CG 512 O OD1 . ASN A 71 ? 0.6962 0.6197 0.9215 0.0258 0.0142 -0.0027 98 ASN A OD1 513 N ND2 . ASN A 71 ? 0.6975 0.6156 0.9269 0.0233 0.0123 0.0087 98 ASN A ND2 514 N N . TYR A 72 ? 0.6667 0.5811 0.8861 0.0172 0.0398 0.0096 99 TYR A N 515 C CA . TYR A 72 ? 0.6975 0.6015 0.9065 0.0215 0.0427 0.0126 99 TYR A CA 516 C C . TYR A 72 ? 0.6909 0.5972 0.9067 0.0271 0.0368 0.0185 99 TYR A C 517 O O . TYR A 72 ? 0.6777 0.5920 0.9037 0.0259 0.0366 0.0210 99 TYR A O 518 C CB . TYR A 72 ? 0.7144 0.6064 0.9100 0.0181 0.0540 0.0121 99 TYR A CB 519 C CG . TYR A 72 ? 0.7031 0.5920 0.8995 0.0180 0.0582 0.0144 99 TYR A CG 520 C CD1 . TYR A 72 ? 0.6964 0.5911 0.8976 0.0116 0.0605 0.0114 99 TYR A CD1 521 C CD2 . TYR A 72 ? 0.7287 0.6090 0.9196 0.0257 0.0595 0.0190 99 TYR A CD2 522 C CE1 . TYR A 72 ? 0.7041 0.5940 0.9026 0.0122 0.0647 0.0130 99 TYR A CE1 523 C CE2 . TYR A 72 ? 0.7346 0.6123 0.9248 0.0277 0.0642 0.0203 99 TYR A CE2 524 C CZ . TYR A 72 ? 0.7266 0.6081 0.9195 0.0205 0.0673 0.0173 99 TYR A CZ 525 O OH . TYR A 72 ? 0.7235 0.6006 0.9124 0.0231 0.0723 0.0180 99 TYR A OH 526 N N . GLU A 73 ? 0.7253 0.6263 0.9352 0.0331 0.0323 0.0204 100 GLU A N 527 C CA . GLU A 73 ? 0.7443 0.6531 0.9641 0.0383 0.0238 0.0247 100 GLU A CA 528 C C . GLU A 73 ? 0.7356 0.6433 0.9543 0.0457 0.0280 0.0286 100 GLU A C 529 O O . GLU A 73 ? 0.7274 0.6498 0.9609 0.0492 0.0229 0.0317 100 GLU A O 530 C CB . GLU A 73 ? 0.7894 0.6926 1.0018 0.0427 0.0146 0.0241 100 GLU A CB 531 C CG . GLU A 73 ? 0.8335 0.7353 1.0436 0.0390 0.0094 0.0194 100 GLU A CG 532 C CD . GLU A 73 ? 0.8878 0.7785 1.0822 0.0442 0.0036 0.0176 100 GLU A CD 533 O OE1 . GLU A 73 ? 0.9258 0.8143 1.1164 0.0434 -0.0013 0.0130 100 GLU A OE1 534 O OE2 . GLU A 73 ? 0.8776 0.7600 1.0612 0.0503 0.0035 0.0204 100 GLU A OE2 535 N N . ALA A 74 ? 0.7346 0.6247 0.9351 0.0482 0.0367 0.0280 101 ALA A N 536 C CA . ALA A 74 ? 0.7407 0.6224 0.9334 0.0584 0.0398 0.0309 101 ALA A CA 537 C C . ALA A 74 ? 0.7378 0.6005 0.9134 0.0558 0.0514 0.0294 101 ALA A C 538 O O . ALA A 74 ? 0.7367 0.5881 0.9007 0.0468 0.0565 0.0266 101 ALA A O 539 C CB . ALA A 74 ? 0.7623 0.6309 0.9400 0.0676 0.0336 0.0327 101 ALA A CB 540 N N . GLY A 75 ? 0.7452 0.6047 0.9191 0.0637 0.0554 0.0309 102 GLY A N 541 C CA . GLY A 75 ? 0.7706 0.6081 0.9255 0.0612 0.0654 0.0290 102 GLY A CA 542 C C . GLY A 75 ? 0.7964 0.6146 0.9343 0.0759 0.0673 0.0309 102 GLY A C 543 O O . GLY A 75 ? 0.7961 0.6208 0.9385 0.0893 0.0604 0.0336 102 GLY A O 544 N N . GLU A 76 ? 0.8169 0.6107 0.9345 0.0734 0.0757 0.0289 103 GLU A N 545 C CA . GLU A 76 ? 0.8542 0.6190 0.9469 0.0872 0.0783 0.0297 103 GLU A CA 546 C C . GLU A 76 ? 0.8541 0.6268 0.9535 0.0941 0.0832 0.0275 103 GLU A C 547 O O . GLU A 76 ? 0.8463 0.6257 0.9516 0.0822 0.0881 0.0246 103 GLU A O 548 C CB . GLU A 76 ? 0.8805 0.6045 0.9388 0.0770 0.0843 0.0288 103 GLU A CB 549 C CG . GLU A 76 ? 0.9430 0.6270 0.9682 0.0895 0.0872 0.0293 103 GLU A CG 550 C CD . GLU A 76 ? 0.9776 0.6167 0.9644 0.0791 0.0914 0.0304 103 GLU A CD 551 O OE1 . GLU A 76 ? 1.0350 0.6376 0.9909 0.0925 0.0900 0.0329 103 GLU A OE1 552 O OE2 . GLU A 76 ? 0.9475 0.5874 0.9341 0.0578 0.0962 0.0287 103 GLU A OE2 553 N N . TRP A 77 ? 0.8538 0.6261 0.9512 0.1144 0.0817 0.0285 104 TRP A N 554 C CA . TRP A 77 ? 0.8528 0.6312 0.9531 0.1241 0.0879 0.0259 104 TRP A CA 555 C C . TRP A 77 ? 0.8916 0.6287 0.9585 0.1174 0.0954 0.0222 104 TRP A C 556 O O . TRP A 77 ? 0.9193 0.6165 0.9547 0.1177 0.0952 0.0227 104 TRP A O 557 C CB . TRP A 77 ? 0.8771 0.6586 0.9768 0.1503 0.0850 0.0266 104 TRP A CB 558 C CG . TRP A 77 ? 0.8460 0.6734 0.9816 0.1586 0.0777 0.0291 104 TRP A CG 559 C CD1 . TRP A 77 ? 0.8285 0.6736 0.9807 0.1518 0.0682 0.0323 104 TRP A CD1 560 C CD2 . TRP A 77 ? 0.8365 0.6979 0.9951 0.1751 0.0792 0.0282 104 TRP A CD2 561 N NE1 . TRP A 77 ? 0.8074 0.6948 0.9919 0.1611 0.0626 0.0334 104 TRP A NE1 562 C CE2 . TRP A 77 ? 0.8143 0.7152 1.0053 0.1752 0.0697 0.0311 104 TRP A CE2 563 C CE3 . TRP A 77 ? 0.8513 0.7150 1.0062 0.1897 0.0880 0.0246 104 TRP A CE3 564 C CZ2 . TRP A 77 ? 0.8028 0.7486 1.0255 0.1875 0.0690 0.0309 104 TRP A CZ2 565 C CZ3 . TRP A 77 ? 0.8406 0.7499 1.0267 0.2040 0.0886 0.0242 104 TRP A CZ3 566 C CH2 . TRP A 77 ? 0.8179 0.7695 1.0390 0.2019 0.0792 0.0275 104 TRP A CH2 567 N N . ALA A 78 ? 0.8833 0.6278 0.9545 0.1102 0.1016 0.0187 105 ALA A N 568 C CA . ALA A 78 ? 0.9150 0.6220 0.9554 0.1024 0.1075 0.0142 105 ALA A CA 569 C C . ALA A 78 ? 0.9506 0.6389 0.9719 0.1216 0.1125 0.0109 105 ALA A C 570 O O . ALA A 78 ? 0.9469 0.6642 0.9874 0.1373 0.1141 0.0111 105 ALA A O 571 C CB . ALA A 78 ? 0.8984 0.6207 0.9508 0.0823 0.1097 0.0114 105 ALA A CB 572 N N . GLU A 79 ? 0.9980 0.6373 0.9805 0.1201 0.1152 0.0077 106 GLU A N 573 C CA . GLU A 79 ? 1.0488 0.6635 1.0070 0.1334 0.1207 0.0024 106 GLU A CA 574 C C . GLU A 79 ? 1.0202 0.6412 0.9802 0.1180 0.1254 -0.0023 106 GLU A C 575 O O . GLU A 79 ? 1.0570 0.6832 1.0144 0.1301 0.1306 -0.0060 106 GLU A O 576 C CB . GLU A 79 ? 1.1279 0.6799 1.0381 0.1379 0.1203 0.0008 106 GLU A CB 577 C CG . GLU A 79 ? 1.1811 0.7202 1.0802 0.1658 0.1165 0.0034 106 GLU A CG 578 C CD . GLU A 79 ? 1.2320 0.7622 1.1180 0.1935 0.1203 -0.0016 106 GLU A CD 579 O OE1 . GLU A 79 ? 1.2893 0.7762 1.1392 0.1929 0.1243 -0.0072 106 GLU A OE1 580 O OE2 . GLU A 79 ? 1.2591 0.8256 1.1702 0.2162 0.1190 -0.0004 106 GLU A OE2 581 N N . ASN A 80 ? 0.9782 0.5994 0.9416 0.0927 0.1234 -0.0027 107 ASN A N 582 C CA . ASN A 80 ? 0.9845 0.6038 0.9430 0.0772 0.1255 -0.0080 107 ASN A CA 583 C C . ASN A 80 ? 0.9414 0.6018 0.9337 0.0601 0.1220 -0.0061 107 ASN A C 584 O O . ASN A 80 ? 0.9229 0.5899 0.9253 0.0466 0.1181 -0.0038 107 ASN A O 585 C CB . ASN A 80 ? 1.0297 0.6000 0.9513 0.0621 0.1253 -0.0126 107 ASN A CB 586 C CG . ASN A 80 ? 1.0839 0.6045 0.9652 0.0791 0.1278 -0.0149 107 ASN A CG 587 O OD1 . ASN A 80 ? 1.0940 0.5971 0.9557 0.0892 0.1312 -0.0204 107 ASN A OD1 588 N ND2 . ASN A 80 ? 1.1182 0.6127 0.9834 0.0834 0.1258 -0.0109 107 ASN A ND2 589 N N . CYS A 81 ? 0.9296 0.6163 0.9371 0.0621 0.1237 -0.0070 108 CYS A N 590 C CA . CYS A 81 ? 0.9010 0.6194 0.9334 0.0472 0.1198 -0.0061 108 CYS A CA 591 C C . CYS A 81 ? 0.9126 0.6221 0.9302 0.0404 0.1212 -0.0119 108 CYS A C 592 O O . CYS A 81 ? 0.9350 0.6192 0.9268 0.0496 0.1262 -0.0160 108 CYS A O 593 C CB . CYS A 81 ? 0.8837 0.6421 0.9471 0.0561 0.1196 -0.0003 108 CYS A CB 594 S SG . CYS A 81 ? 0.8785 0.6498 0.9595 0.0658 0.1160 0.0058 108 CYS A SG 595 N N . TYR A 82 ? 0.8922 0.6208 0.9241 0.0255 0.1158 -0.0127 109 TYR A N 596 C CA . TYR A 82 ? 0.9142 0.6354 0.9322 0.0177 0.1145 -0.0183 109 TYR A CA 597 C C . TYR A 82 ? 0.9022 0.6556 0.9410 0.0154 0.1112 -0.0152 109 TYR A C 598 O O . TYR A 82 ? 0.8646 0.6435 0.9291 0.0126 0.1070 -0.0104 109 TYR A O 599 C CB . TYR A 82 ? 0.9207 0.6242 0.9273 -0.0009 0.1088 -0.0245 109 TYR A CB 600 C CG . TYR A 82 ? 0.9390 0.6090 0.9247 -0.0016 0.1118 -0.0258 109 TYR A CG 601 C CD1 . TYR A 82 ? 0.9753 0.6046 0.9254 0.0009 0.1151 -0.0312 109 TYR A CD1 602 C CD2 . TYR A 82 ? 0.9264 0.6014 0.9240 -0.0039 0.1115 -0.0214 109 TYR A CD2 603 C CE1 . TYR A 82 ? 1.0093 0.6017 0.9354 0.0005 0.1174 -0.0317 109 TYR A CE1 604 C CE2 . TYR A 82 ? 0.9595 0.5993 0.9333 -0.0045 0.1144 -0.0215 109 TYR A CE2 605 C CZ . TYR A 82 ? 0.9979 0.5955 0.9357 -0.0024 0.1171 -0.0264 109 TYR A CZ 606 O OH . TYR A 82 ? 1.0505 0.6074 0.9603 -0.0034 0.1193 -0.0260 109 TYR A OH 607 N N . ASN A 83 ? 0.9391 0.6870 0.9624 0.0170 0.1132 -0.0179 110 ASN A N 608 C CA . ASN A 83 ? 0.9247 0.6952 0.9588 0.0154 0.1110 -0.0145 110 ASN A CA 609 C C . ASN A 83 ? 0.9439 0.6981 0.9544 0.0080 0.1068 -0.0210 110 ASN A C 610 O O . ASN A 83 ? 0.9893 0.7227 0.9736 0.0145 0.1130 -0.0248 110 ASN A O 611 C CB . ASN A 83 ? 0.9261 0.7100 0.9646 0.0295 0.1214 -0.0088 110 ASN A CB 612 C CG . ASN A 83 ? 0.9093 0.7166 0.9598 0.0259 0.1203 -0.0030 110 ASN A CG 613 O OD1 . ASN A 83 ? 0.9157 0.7154 0.9497 0.0211 0.1181 -0.0051 110 ASN A OD1 614 N ND2 . ASN A 83 ? 0.8805 0.7136 0.9571 0.0281 0.1213 0.0043 110 ASN A ND2 615 N N . LEU A 84 ? 0.9427 0.7063 0.9615 -0.0041 0.0955 -0.0230 111 LEU A N 616 C CA . LEU A 84 ? 0.9774 0.7261 0.9751 -0.0125 0.0881 -0.0307 111 LEU A CA 617 C C . LEU A 84 ? 0.9937 0.7513 0.9865 -0.0116 0.0838 -0.0282 111 LEU A C 618 O O . LEU A 84 ? 0.9943 0.7738 1.0076 -0.0125 0.0788 -0.0224 111 LEU A O 619 C CB . LEU A 84 ? 0.9643 0.7180 0.9735 -0.0269 0.0773 -0.0364 111 LEU A CB 620 C CG . LEU A 84 ? 0.9620 0.7070 0.9759 -0.0314 0.0811 -0.0378 111 LEU A CG 621 C CD1 . LEU A 84 ? 0.9619 0.7149 0.9855 -0.0482 0.0715 -0.0443 111 LEU A CD1 622 C CD2 . LEU A 84 ? 1.0028 0.7122 0.9863 -0.0264 0.0896 -0.0409 111 LEU A CD2 623 N N . GLU A 85 ? 1.0252 0.7622 0.9872 -0.0095 0.0856 -0.0324 112 GLU A N 624 C CA . GLU A 85 ? 1.0413 0.7786 0.9889 -0.0104 0.0797 -0.0315 112 GLU A CA 625 C C . GLU A 85 ? 1.0499 0.7676 0.9745 -0.0187 0.0686 -0.0421 112 GLU A C 626 O O . GLU A 85 ? 1.1020 0.7943 0.9948 -0.0157 0.0728 -0.0473 112 GLU A O 627 C CB . GLU A 85 ? 1.0731 0.8040 1.0014 0.0003 0.0936 -0.0266 112 GLU A CB 628 C CG . GLU A 85 ? 1.0747 0.8291 1.0269 0.0069 0.1043 -0.0162 112 GLU A CG 629 C CD . GLU A 85 ? 1.0884 0.8613 1.0547 0.0022 0.0981 -0.0079 112 GLU A CD 630 O OE1 . GLU A 85 ? 1.1074 0.8751 1.0649 -0.0040 0.0847 -0.0099 112 GLU A OE1 631 O OE2 . GLU A 85 ? 1.0908 0.8826 1.0763 0.0050 0.1058 0.0004 112 GLU A OE2 632 N N . ILE A 86 ? 1.0243 0.7552 0.9658 -0.0289 0.0540 -0.0462 113 ILE A N 633 C CA . ILE A 86 ? 1.0504 0.7697 0.9773 -0.0394 0.0415 -0.0571 113 ILE A CA 634 C C . ILE A 86 ? 1.0767 0.8056 1.0001 -0.0405 0.0261 -0.0581 113 ILE A C 635 O O . ILE A 86 ? 1.0653 0.8175 1.0121 -0.0387 0.0198 -0.0531 113 ILE A O 636 C CB . ILE A 86 ? 1.0223 0.7529 0.9728 -0.0517 0.0366 -0.0625 113 ILE A CB 637 C CG1 . ILE A 86 ? 1.0211 0.7375 0.9711 -0.0499 0.0509 -0.0605 113 ILE A CG1 638 C CG2 . ILE A 86 ? 1.0414 0.7640 0.9800 -0.0655 0.0233 -0.0744 113 ILE A CG2 639 C CD1 . ILE A 86 ? 1.0638 0.7426 0.9767 -0.0455 0.0593 -0.0646 113 ILE A CD1 640 N N . LYS A 87 ? 1.1357 0.8432 1.0267 -0.0423 0.0194 -0.0649 114 LYS A N 641 C CA . LYS A 87 ? 1.1709 0.8824 1.0521 -0.0427 0.0023 -0.0674 114 LYS A CA 642 C C . LYS A 87 ? 1.2008 0.9085 1.0754 -0.0546 -0.0134 -0.0806 114 LYS A C 643 O O . LYS A 87 ? 1.2101 0.9031 1.0775 -0.0631 -0.0092 -0.0875 114 LYS A O 644 C CB . LYS A 87 ? 1.2259 0.9140 1.0686 -0.0336 0.0077 -0.0629 114 LYS A CB 645 C CG . LYS A 87 ? 1.2386 0.9334 1.0871 -0.0242 0.0222 -0.0496 114 LYS A CG 646 C CD . LYS A 87 ? 1.3067 0.9807 1.1158 -0.0177 0.0265 -0.0453 114 LYS A CD 647 C CE . LYS A 87 ? 1.3251 1.0086 1.1410 -0.0119 0.0402 -0.0316 114 LYS A CE 648 N NZ . LYS A 87 ? 1.3302 1.0229 1.1645 -0.0081 0.0599 -0.0280 114 LYS A NZ 649 N N . LYS A 88 ? 1.2339 0.9545 1.1105 -0.0555 -0.0325 -0.0843 115 LYS A N 650 C CA . LYS A 88 ? 1.3009 1.0183 1.1668 -0.0661 -0.0500 -0.0974 115 LYS A CA 651 C C . LYS A 88 ? 1.3741 1.0526 1.1890 -0.0625 -0.0495 -0.1003 115 LYS A C 652 O O . LYS A 88 ? 1.3977 1.0595 1.1898 -0.0507 -0.0379 -0.0913 115 LYS A O 653 C CB . LYS A 88 ? 1.3036 1.0511 1.1900 -0.0652 -0.0721 -0.1009 115 LYS A CB 654 C CG . LYS A 88 ? 1.2698 1.0578 1.2057 -0.0709 -0.0748 -0.1027 115 LYS A CG 655 C CD . LYS A 88 ? 1.2794 1.0987 1.2350 -0.0739 -0.0989 -0.1127 115 LYS A CD 656 C CE . LYS A 88 ? 1.2700 1.1111 1.2427 -0.0587 -0.1085 -0.1069 115 LYS A CE 657 N NZ . LYS A 88 ? 1.2309 1.1058 1.2476 -0.0592 -0.1021 -0.1050 115 LYS A NZ 658 N N . PRO A 89 ? 1.4199 1.0840 1.2154 -0.0734 -0.0617 -0.1129 116 PRO A N 659 C CA . PRO A 89 ? 1.4645 1.0898 1.2075 -0.0690 -0.0633 -0.1167 116 PRO A CA 660 C C . PRO A 89 ? 1.4743 1.0966 1.1951 -0.0575 -0.0743 -0.1121 116 PRO A C 661 O O . PRO A 89 ? 1.5128 1.1026 1.1883 -0.0504 -0.0695 -0.1112 116 PRO A O 662 C CB . PRO A 89 ? 1.4951 1.1105 1.2281 -0.0856 -0.0784 -0.1322 116 PRO A CB 663 C CG . PRO A 89 ? 1.4702 1.1284 1.2532 -0.0979 -0.0897 -0.1362 116 PRO A CG 664 C CD . PRO A 89 ? 1.4237 1.1039 1.2420 -0.0914 -0.0728 -0.1244 116 PRO A CD 665 N N . ASP A 90 ? 1.4464 1.0999 1.1958 -0.0548 -0.0884 -0.1091 117 ASP A N 666 C CA . ASP A 90 ? 1.4553 1.1033 1.1840 -0.0423 -0.0974 -0.1019 117 ASP A CA 667 C C . ASP A 90 ? 1.4227 1.0691 1.1533 -0.0317 -0.0784 -0.0857 117 ASP A C 668 O O . ASP A 90 ? 1.4284 1.0707 1.1451 -0.0230 -0.0853 -0.0780 117 ASP A O 669 C CB . ASP A 90 ? 1.4633 1.1410 1.2156 -0.0420 -0.1244 -0.1074 117 ASP A CB 670 C CG . ASP A 90 ? 1.4128 1.1300 1.2181 -0.0407 -0.1232 -0.1029 117 ASP A CG 671 O OD1 . ASP A 90 ? 1.3702 1.0911 1.1930 -0.0397 -0.1027 -0.0939 117 ASP A OD1 672 O OD2 . ASP A 90 ? 1.4090 1.1549 1.2383 -0.0396 -0.1440 -0.1092 117 ASP A OD2 673 N N . GLY A 91 ? 1.3848 1.0342 1.1323 -0.0327 -0.0559 -0.0804 118 GLY A N 674 C CA . GLY A 91 ? 1.3648 1.0138 1.1143 -0.0245 -0.0368 -0.0659 118 GLY A CA 675 C C . GLY A 91 ? 1.3193 0.9973 1.1091 -0.0223 -0.0380 -0.0574 118 GLY A C 676 O O . GLY A 91 ? 1.3022 0.9808 1.0955 -0.0178 -0.0227 -0.0457 118 GLY A O 677 N N . SER A 92 ? 1.2896 0.9926 1.1098 -0.0256 -0.0558 -0.0637 119 SER A N 678 C CA . SER A 92 ? 1.2369 0.9663 1.0943 -0.0223 -0.0577 -0.0573 119 SER A CA 679 C C . SER A 92 ? 1.1979 0.9438 1.0888 -0.0272 -0.0412 -0.0561 119 SER A C 680 O O . SER A 92 ? 1.1583 0.9033 1.0532 -0.0351 -0.0365 -0.0639 119 SER A O 681 C CB . SER A 92 ? 1.2224 0.9750 1.1000 -0.0216 -0.0820 -0.0656 119 SER A CB 682 O OG . SER A 92 ? 1.2191 0.9837 1.1084 -0.0318 -0.0889 -0.0789 119 SER A OG 683 N N . GLU A 93 ? 1.1893 0.9473 1.1014 -0.0228 -0.0335 -0.0462 120 GLU A N 684 C CA . GLU A 93 ? 1.1415 0.9137 1.0829 -0.0256 -0.0182 -0.0435 120 GLU A CA 685 C C . GLU A 93 ? 1.1037 0.9018 1.0789 -0.0320 -0.0266 -0.0524 120 GLU A C 686 O O . GLU A 93 ? 1.1049 0.9208 1.0940 -0.0304 -0.0434 -0.0568 120 GLU A O 687 C CB . GLU A 93 ? 1.1217 0.8998 1.0752 -0.0199 -0.0104 -0.0310 120 GLU A CB 688 C CG . GLU A 93 ? 1.1521 0.9096 1.0768 -0.0163 0.0019 -0.0211 120 GLU A CG 689 C CD . GLU A 93 ? 1.1690 0.9205 1.0893 -0.0166 0.0229 -0.0196 120 GLU A CD 690 O OE1 . GLU A 93 ? 1.1717 0.9304 1.1092 -0.0193 0.0278 -0.0252 120 GLU A OE1 691 O OE2 . GLU A 93 ? 1.2026 0.9415 1.1007 -0.0137 0.0350 -0.0127 120 GLU A OE2 692 N N . CYS A 94 ? 1.0666 0.8663 1.0533 -0.0387 -0.0146 -0.0551 121 CYS A N 693 C CA . CYS A 94 ? 1.0289 0.8521 1.0461 -0.0473 -0.0186 -0.0626 121 CYS A CA 694 C C . CYS A 94 ? 0.9735 0.8174 1.0220 -0.0440 -0.0122 -0.0565 121 CYS A C 695 O O . CYS A 94 ? 0.9675 0.8371 1.0430 -0.0476 -0.0189 -0.0616 121 CYS A O 696 C CB . CYS A 94 ? 1.0392 0.8475 1.0472 -0.0579 -0.0097 -0.0686 121 CYS A CB 697 S SG . CYS A 94 ? 1.0732 0.8627 1.0504 -0.0661 -0.0224 -0.0803 121 CYS A SG 698 N N . LEU A 95 ? 0.9308 0.7651 0.9759 -0.0374 0.0008 -0.0462 122 LEU A N 699 C CA . LEU A 95 ? 0.8789 0.7287 0.9497 -0.0342 0.0069 -0.0400 122 LEU A CA 700 C C . LEU A 95 ? 0.8558 0.7065 0.9258 -0.0253 0.0028 -0.0313 122 LEU A C 701 O O . LEU A 95 ? 0.8690 0.7027 0.9146 -0.0221 0.0026 -0.0269 122 LEU A O 702 C CB . LEU A 95 ? 0.8735 0.7122 0.9422 -0.0345 0.0243 -0.0356 122 LEU A CB 703 C CG . LEU A 95 ? 0.9010 0.7275 0.9608 -0.0431 0.0293 -0.0432 122 LEU A CG 704 C CD1 . LEU A 95 ? 0.9249 0.7328 0.9729 -0.0385 0.0454 -0.0383 122 LEU A CD1 705 C CD2 . LEU A 95 ? 0.8766 0.7220 0.9598 -0.0525 0.0254 -0.0493 122 LEU A CD2 706 N N . PRO A 96 ? 0.8091 0.6769 0.9028 -0.0220 -0.0005 -0.0288 123 PRO A N 707 C CA . PRO A 96 ? 0.8087 0.6730 0.8997 -0.0149 -0.0053 -0.0206 123 PRO A CA 708 C C . PRO A 96 ? 0.7989 0.6551 0.8879 -0.0144 0.0089 -0.0100 123 PRO A C 709 O O . PRO A 96 ? 0.7896 0.6494 0.8879 -0.0165 0.0209 -0.0096 123 PRO A O 710 C CB . PRO A 96 ? 0.7825 0.6676 0.8991 -0.0113 -0.0143 -0.0240 123 PRO A CB 711 C CG . PRO A 96 ? 0.7716 0.6708 0.9073 -0.0173 -0.0054 -0.0290 123 PRO A CG 712 C CD . PRO A 96 ? 0.7922 0.6809 0.9132 -0.0250 0.0003 -0.0336 123 PRO A CD 713 N N . ALA A 97 ? 0.8328 0.6781 0.9088 -0.0119 0.0070 -0.0016 124 ALA A N 714 C CA . ALA A 97 ? 0.8224 0.6654 0.9003 -0.0130 0.0194 0.0085 124 ALA A CA 715 C C . ALA A 97 ? 0.8051 0.6636 0.9105 -0.0122 0.0205 0.0093 124 ALA A C 716 O O . ALA A 97 ? 0.8096 0.6759 0.9273 -0.0095 0.0092 0.0051 124 ALA A O 717 C CB . ALA A 97 ? 0.8242 0.6525 0.8835 -0.0133 0.0152 0.0173 124 ALA A CB 718 N N . ALA A 98 ? 0.7892 0.6528 0.9037 -0.0133 0.0336 0.0142 125 ALA A N 719 C CA . ALA A 98 ? 0.7677 0.6440 0.9054 -0.0124 0.0343 0.0157 125 ALA A CA 720 C C . ALA A 98 ? 0.7556 0.6297 0.8961 -0.0120 0.0230 0.0198 125 ALA A C 721 O O . ALA A 98 ? 0.7718 0.6356 0.8998 -0.0148 0.0225 0.0273 125 ALA A O 722 C CB . ALA A 98 ? 0.7587 0.6407 0.9034 -0.0125 0.0481 0.0214 125 ALA A CB 723 N N . PRO A 99 ? 0.7520 0.6337 0.9062 -0.0085 0.0140 0.0148 126 PRO A N 724 C CA . PRO A 99 ? 0.7613 0.6375 0.9166 -0.0065 0.0033 0.0182 126 PRO A CA 725 C C . PRO A 99 ? 0.7730 0.6474 0.9325 -0.0114 0.0091 0.0275 126 PRO A C 726 O O . PRO A 99 ? 0.7837 0.6680 0.9526 -0.0138 0.0209 0.0298 126 PRO A O 727 C CB . PRO A 99 ? 0.7422 0.6313 0.9145 -0.0010 -0.0024 0.0102 126 PRO A CB 728 C CG . PRO A 99 ? 0.7465 0.6463 0.9223 -0.0014 0.0010 0.0018 126 PRO A CG 729 C CD . PRO A 99 ? 0.7488 0.6428 0.9151 -0.0067 0.0130 0.0053 126 PRO A CD 730 N N . ASP A 100 ? 0.8024 0.6639 0.9546 -0.0129 0.0000 0.0325 127 ASP A N 731 C CA . ASP A 100 ? 0.8143 0.6746 0.9710 -0.0203 0.0035 0.0411 127 ASP A CA 732 C C . ASP A 100 ? 0.7928 0.6694 0.9720 -0.0182 0.0062 0.0385 127 ASP A C 733 O O . ASP A 100 ? 0.7898 0.6679 0.9752 -0.0117 -0.0014 0.0321 127 ASP A O 734 C CB . ASP A 100 ? 0.8736 0.7112 1.0146 -0.0226 -0.0096 0.0456 127 ASP A CB 735 C CG . ASP A 100 ? 0.9200 0.7543 1.0635 -0.0342 -0.0070 0.0550 127 ASP A CG 736 O OD1 . ASP A 100 ? 0.9301 0.7831 1.0882 -0.0403 0.0056 0.0588 127 ASP A OD1 737 O OD2 . ASP A 100 ? 0.9890 0.8010 1.1188 -0.0370 -0.0187 0.0583 127 ASP A OD2 738 N N . GLY A 101 ? 0.7567 0.6465 0.9472 -0.0226 0.0174 0.0430 128 GLY A N 739 C CA . GLY A 101 ? 0.7311 0.6345 0.9403 -0.0203 0.0191 0.0416 128 GLY A CA 740 C C . GLY A 101 ? 0.7285 0.6430 0.9451 -0.0139 0.0279 0.0360 128 GLY A C 741 O O . GLY A 101 ? 0.6971 0.6205 0.9258 -0.0110 0.0296 0.0352 128 GLY A O 742 N N . ILE A 102 ? 0.7421 0.6532 0.9488 -0.0120 0.0325 0.0322 129 ILE A N 743 C CA . ILE A 102 ? 0.7402 0.6561 0.9492 -0.0079 0.0410 0.0273 129 ILE A CA 744 C C . ILE A 102 ? 0.7504 0.6688 0.9552 -0.0079 0.0531 0.0309 129 ILE A C 745 O O . ILE A 102 ? 0.7601 0.6722 0.9515 -0.0102 0.0559 0.0321 129 ILE A O 746 C CB . ILE A 102 ? 0.7498 0.6609 0.9515 -0.0068 0.0375 0.0192 129 ILE A CB 747 C CG1 . ILE A 102 ? 0.7496 0.6642 0.9593 -0.0044 0.0279 0.0146 129 ILE A CG1 748 C CG2 . ILE A 102 ? 0.7488 0.6592 0.9477 -0.0057 0.0471 0.0150 129 ILE A CG2 749 C CD1 . ILE A 102 ? 0.7718 0.6879 0.9783 -0.0034 0.0219 0.0065 129 ILE A CD1 750 N N . ARG A 103 ? 0.7448 0.6724 0.9599 -0.0039 0.0597 0.0324 130 ARG A N 751 C CA . ARG A 103 ? 0.7476 0.6812 0.9615 -0.0004 0.0715 0.0350 130 ARG A CA 752 C C . ARG A 103 ? 0.7480 0.6744 0.9561 0.0069 0.0774 0.0296 130 ARG A C 753 O O . ARG A 103 ? 0.7256 0.6458 0.9339 0.0075 0.0730 0.0256 130 ARG A O 754 C CB . ARG A 103 ? 0.7493 0.7014 0.9812 -0.0003 0.0731 0.0410 130 ARG A CB 755 C CG . ARG A 103 ? 0.7674 0.7249 1.0023 -0.0104 0.0699 0.0476 130 ARG A CG 756 C CD . ARG A 103 ? 0.7765 0.7539 1.0324 -0.0131 0.0683 0.0525 130 ARG A CD 757 N NE . ARG A 103 ? 0.7873 0.7618 1.0508 -0.0101 0.0579 0.0496 130 ARG A NE 758 C CZ . ARG A 103 ? 0.7875 0.7504 1.0479 -0.0150 0.0459 0.0489 130 ARG A CZ 759 N NH1 . ARG A 103 ? 0.8054 0.7563 1.0550 -0.0231 0.0411 0.0514 130 ARG A NH1 760 N NH2 . ARG A 103 ? 0.7843 0.7454 1.0499 -0.0105 0.0386 0.0456 130 ARG A NH2 761 N N . GLY A 104 ? 0.7700 0.6958 0.9708 0.0127 0.0879 0.0296 131 GLY A N 762 C CA . GLY A 104 ? 0.7908 0.7031 0.9804 0.0203 0.0934 0.0246 131 GLY A CA 763 C C . GLY A 104 ? 0.7738 0.6896 0.9733 0.0276 0.0923 0.0254 131 GLY A C 764 O O . GLY A 104 ? 0.7751 0.7092 0.9926 0.0292 0.0895 0.0299 131 GLY A O 765 N N . PHE A 105 ? 0.7720 0.6685 0.9577 0.0310 0.0939 0.0209 132 PHE A N 766 C CA . PHE A 105 ? 0.7641 0.6559 0.9511 0.0388 0.0929 0.0215 132 PHE A CA 767 C C . PHE A 105 ? 0.7544 0.6614 0.9515 0.0518 0.0968 0.0250 132 PHE A C 768 O O . PHE A 105 ? 0.7729 0.6814 0.9645 0.0582 0.1048 0.0244 132 PHE A O 769 C CB . PHE A 105 ? 0.7897 0.6521 0.9528 0.0399 0.0967 0.0167 132 PHE A CB 770 C CG . PHE A 105 ? 0.8022 0.6528 0.9603 0.0442 0.0944 0.0174 132 PHE A CG 771 C CD1 . PHE A 105 ? 0.7823 0.6330 0.9441 0.0350 0.0890 0.0168 132 PHE A CD1 772 C CD2 . PHE A 105 ? 0.8303 0.6680 0.9774 0.0587 0.0978 0.0183 132 PHE A CD2 773 C CE1 . PHE A 105 ? 0.8012 0.6386 0.9542 0.0384 0.0878 0.0179 132 PHE A CE1 774 C CE2 . PHE A 105 ? 0.8287 0.6509 0.9664 0.0630 0.0949 0.0195 132 PHE A CE2 775 C CZ . PHE A 105 ? 0.8230 0.6446 0.9628 0.0519 0.0904 0.0197 132 PHE A CZ 776 N N . PRO A 106 ? 0.7451 0.6649 0.9571 0.0564 0.0911 0.0282 133 PRO A N 777 C CA . PRO A 106 ? 0.7517 0.6965 0.9811 0.0667 0.0931 0.0314 133 PRO A CA 778 C C . PRO A 106 ? 0.7608 0.6983 0.9804 0.0852 0.0991 0.0295 133 PRO A C 779 O O . PRO A 106 ? 0.7642 0.7251 0.9969 0.0944 0.1043 0.0306 133 PRO A O 780 C CB . PRO A 106 ? 0.7445 0.7042 0.9921 0.0647 0.0824 0.0346 133 PRO A CB 781 C CG . PRO A 106 ? 0.7435 0.6842 0.9807 0.0548 0.0762 0.0328 133 PRO A CG 782 C CD . PRO A 106 ? 0.7507 0.6649 0.9644 0.0530 0.0826 0.0284 133 PRO A CD 783 N N . ARG A 107 ? 0.7782 0.6838 0.9743 0.0907 0.0986 0.0266 134 ARG A N 784 C CA . ARG A 107 ? 0.8116 0.7024 0.9927 0.1103 0.1025 0.0247 134 ARG A CA 785 C C . ARG A 107 ? 0.8354 0.6853 0.9819 0.1104 0.1086 0.0199 134 ARG A C 786 O O . ARG A 107 ? 0.8470 0.6668 0.9736 0.1039 0.1057 0.0189 134 ARG A O 787 C CB . ARG A 107 ? 0.8186 0.7048 1.0000 0.1196 0.0938 0.0268 134 ARG A CB 788 C CG . ARG A 107 ? 0.7945 0.7205 1.0088 0.1216 0.0863 0.0306 134 ARG A CG 789 C CD . ARG A 107 ? 0.7964 0.7516 1.0277 0.1385 0.0905 0.0303 134 ARG A CD 790 N NE . ARG A 107 ? 0.7734 0.7709 1.0393 0.1375 0.0832 0.0336 134 ARG A NE 791 C CZ . ARG A 107 ? 0.7480 0.7787 1.0395 0.1238 0.0849 0.0361 134 ARG A CZ 792 N NH1 . ARG A 107 ? 0.7388 0.8050 1.0597 0.1223 0.0771 0.0388 134 ARG A NH1 793 N NH2 . ARG A 107 ? 0.7453 0.7724 1.0317 0.1108 0.0935 0.0362 134 ARG A NH2 794 N N . CYS A 108 ? 0.8407 0.6901 0.9797 0.1167 0.1173 0.0169 135 CYS A N 795 C CA . CYS A 108 ? 0.8808 0.6911 0.9855 0.1180 0.1229 0.0115 135 CYS A CA 796 C C . CYS A 108 ? 0.9137 0.7179 1.0062 0.1416 0.1299 0.0084 135 CYS A C 797 O O . CYS A 108 ? 0.8931 0.7282 1.0024 0.1488 0.1363 0.0085 135 CYS A O 798 C CB . CYS A 108 ? 0.8740 0.6869 0.9768 0.1019 0.1262 0.0094 135 CYS A CB 799 S SG . CYS A 108 ? 0.8508 0.6724 0.9676 0.0774 0.1178 0.0114 135 CYS A SG 800 N N . ARG A 109 ? 0.9610 0.7251 1.0231 0.1539 0.1292 0.0056 136 ARG A N 801 C CA . ARG A 109 ? 1.0163 0.7674 1.0604 0.1792 0.1355 0.0012 136 ARG A CA 802 C C . ARG A 109 ? 1.0116 0.7457 1.0341 0.1762 0.1444 -0.0046 136 ARG A C 803 O O . ARG A 109 ? 1.0061 0.7537 1.0291 0.1935 0.1525 -0.0078 136 ARG A O 804 C CB . ARG A 109 ? 1.0641 0.7689 1.0755 0.1939 0.1309 0.0000 136 ARG A CB 805 C CG . ARG A 109 ? 1.1312 0.8173 1.1202 0.2236 0.1358 -0.0052 136 ARG A CG 806 C CD . ARG A 109 ? 1.1433 0.8792 1.1656 0.2476 0.1368 -0.0043 136 ARG A CD 807 N NE . ARG A 109 ? 1.1974 0.9230 1.2012 0.2755 0.1445 -0.0111 136 ARG A NE 808 C CZ . ARG A 109 ? 1.2012 0.9426 1.2067 0.2782 0.1562 -0.0157 136 ARG A CZ 809 N NH1 . ARG A 109 ? 1.2462 0.9748 1.2313 0.3068 0.1629 -0.0227 136 ARG A NH1 810 N NH2 . ARG A 109 ? 1.1687 0.9368 1.1932 0.2542 0.1612 -0.0136 136 ARG A NH2 811 N N . TYR A 110 ? 1.0087 0.7144 1.0121 0.1547 0.1425 -0.0066 137 TYR A N 812 C CA . TYR A 110 ? 1.0144 0.7030 0.9965 0.1480 0.1482 -0.0124 137 TYR A CA 813 C C . TYR A 110 ? 0.9718 0.6758 0.9681 0.1213 0.1446 -0.0108 137 TYR A C 814 O O . TYR A 110 ? 0.9791 0.6748 0.9778 0.1049 0.1375 -0.0091 137 TYR A O 815 C CB . TYR A 110 ? 1.0608 0.6888 0.9962 0.1499 0.1476 -0.0186 137 TYR A CB 816 C CG . TYR A 110 ? 1.1057 0.7102 1.0209 0.1782 0.1495 -0.0205 137 TYR A CG 817 C CD1 . TYR A 110 ? 1.1177 0.7366 1.0329 0.2029 0.1578 -0.0242 137 TYR A CD1 818 C CD2 . TYR A 110 ? 1.1394 0.7073 1.0341 0.1816 0.1432 -0.0188 137 TYR A CD2 819 C CE1 . TYR A 110 ? 1.1633 0.7622 1.0604 0.2323 0.1586 -0.0269 137 TYR A CE1 820 C CE2 . TYR A 110 ? 1.1828 0.7257 1.0558 0.2102 0.1432 -0.0206 137 TYR A CE2 821 C CZ . TYR A 110 ? 1.1886 0.7481 1.0640 0.2366 0.1505 -0.0251 137 TYR A CZ 822 O OH . TYR A 110 ? 1.2325 0.7693 1.0871 0.2680 0.1498 -0.0278 137 TYR A OH 823 N N . VAL A 111 ? 0.9409 0.6671 0.9454 0.1180 0.1496 -0.0114 138 VAL A N 824 C CA . VAL A 111 ? 0.9203 0.6565 0.9328 0.0956 0.1451 -0.0108 138 VAL A CA 825 C C . VAL A 111 ? 0.9731 0.6759 0.9511 0.0911 0.1471 -0.0184 138 VAL A C 826 O O . VAL A 111 ? 1.0084 0.7096 0.9726 0.1027 0.1553 -0.0214 138 VAL A O 827 C CB . VAL A 111 ? 0.8720 0.6532 0.9147 0.0931 0.1477 -0.0051 138 VAL A CB 828 C CG1 . VAL A 111 ? 0.8458 0.6306 0.8900 0.0730 0.1420 -0.0051 138 VAL A CG1 829 C CG2 . VAL A 111 ? 0.8327 0.6456 0.9090 0.0959 0.1441 0.0016 138 VAL A CG2 830 N N . HIS A 112 ? 1.0020 0.6790 0.9655 0.0740 0.1398 -0.0219 139 HIS A N 831 C CA . HIS A 112 ? 1.0574 0.7021 0.9884 0.0661 0.1389 -0.0298 139 HIS A CA 832 C C . HIS A 112 ? 1.0601 0.7274 1.0021 0.0525 0.1351 -0.0297 139 HIS A C 833 O O . HIS A 112 ? 1.0230 0.7014 0.9799 0.0352 0.1264 -0.0290 139 HIS A O 834 C CB . HIS A 112 ? 1.0774 0.6859 0.9887 0.0519 0.1327 -0.0339 139 HIS A CB 835 C CG . HIS A 112 ? 1.1066 0.6847 0.9999 0.0651 0.1355 -0.0335 139 HIS A CG 836 N ND1 . HIS A 112 ? 1.1033 0.6939 1.0157 0.0684 0.1340 -0.0270 139 HIS A ND1 837 C CD2 . HIS A 112 ? 1.1453 0.6783 1.0001 0.0773 0.1389 -0.0389 139 HIS A CD2 838 C CE1 . HIS A 112 ? 1.1242 0.6783 1.0103 0.0820 0.1360 -0.0280 139 HIS A CE1 839 N NE2 . HIS A 112 ? 1.1545 0.6725 1.0053 0.0880 0.1390 -0.0352 139 HIS A NE2 840 N N . LYS A 113 ? 1.0968 0.7714 1.0308 0.0619 0.1420 -0.0303 140 LYS A N 841 C CA . LYS A 113 ? 1.1147 0.8081 1.0548 0.0517 0.1389 -0.0290 140 LYS A CA 842 C C . LYS A 113 ? 1.1397 0.8015 1.0459 0.0430 0.1340 -0.0378 140 LYS A C 843 O O . LYS A 113 ? 1.1836 0.8236 1.0598 0.0533 0.1409 -0.0428 140 LYS A O 844 C CB . LYS A 113 ? 1.1579 0.8782 1.1074 0.0638 0.1495 -0.0236 140 LYS A CB 845 C CG . LYS A 113 ? 1.2001 0.9426 1.1610 0.0519 0.1452 -0.0190 140 LYS A CG 846 C CD . LYS A 113 ? 1.2476 1.0148 1.2148 0.0602 0.1571 -0.0130 140 LYS A CD 847 C CE . LYS A 113 ? 1.2792 1.0565 1.2467 0.0472 0.1517 -0.0087 140 LYS A CE 848 N NZ . LYS A 113 ? 1.3036 1.1058 1.2780 0.0508 0.1636 -0.0012 140 LYS A NZ 849 N N . VAL A 114 ? 1.1143 0.7749 1.0256 0.0244 0.1218 -0.0403 141 VAL A N 850 C CA . VAL A 114 ? 1.1357 0.7700 1.0189 0.0131 0.1141 -0.0493 141 VAL A CA 851 C C . VAL A 114 ? 1.1431 0.7943 1.0278 0.0074 0.1078 -0.0486 141 VAL A C 852 O O . VAL A 114 ? 1.1147 0.7930 1.0261 -0.0012 0.0997 -0.0445 141 VAL A O 853 C CB . VAL A 114 ? 1.1300 0.7543 1.0176 -0.0048 0.1041 -0.0538 141 VAL A CB 854 C CG1 . VAL A 114 ? 1.1738 0.7691 1.0309 -0.0173 0.0958 -0.0642 141 VAL A CG1 855 C CG2 . VAL A 114 ? 1.1340 0.7403 1.0193 0.0000 0.1100 -0.0524 141 VAL A CG2 856 N N . SER A 115 ? 1.1858 0.8184 1.0387 0.0137 0.1116 -0.0526 142 SER A N 857 C CA . SER A 115 ? 1.1841 0.8213 1.0265 0.0077 0.1039 -0.0535 142 SER A CA 858 C C . SER A 115 ? 1.2057 0.8129 1.0191 -0.0033 0.0924 -0.0650 142 SER A C 859 O O . SER A 115 ? 1.2489 0.8240 1.0378 -0.0017 0.0956 -0.0719 142 SER A O 860 C CB . SER A 115 ? 1.2092 0.8470 1.0335 0.0215 0.1167 -0.0498 142 SER A CB 861 O OG . SER A 115 ? 1.1945 0.8648 1.0492 0.0281 0.1258 -0.0391 142 SER A OG 862 N N . GLY A 116 ? 1.1965 0.8126 1.0118 -0.0147 0.0779 -0.0673 143 GLY A N 863 C CA . GLY A 116 ? 1.2325 0.8248 1.0236 -0.0271 0.0647 -0.0788 143 GLY A CA 864 C C . GLY A 116 ? 1.2223 0.8360 1.0303 -0.0407 0.0459 -0.0814 143 GLY A C 865 O O . GLY A 116 ? 1.1955 0.8373 1.0256 -0.0380 0.0423 -0.0742 143 GLY A O 866 N N . THR A 117 ? 1.2366 0.8362 1.0336 -0.0553 0.0333 -0.0923 144 THR A N 867 C CA . THR A 117 ? 1.2196 0.8397 1.0300 -0.0676 0.0136 -0.0975 144 THR A CA 868 C C . THR A 117 ? 1.2040 0.8329 1.0347 -0.0870 0.0050 -0.1051 144 THR A C 869 O O . THR A 117 ? 1.2113 0.8166 1.0317 -0.0937 0.0122 -0.1084 144 THR A O 870 C CB . THR A 117 ? 1.2687 0.8657 1.0397 -0.0678 0.0025 -0.1052 144 THR A CB 871 O OG1 . THR A 117 ? 1.3146 0.8708 1.0496 -0.0722 0.0055 -0.1143 144 THR A OG1 872 C CG2 . THR A 117 ? 1.2723 0.8653 1.0241 -0.0510 0.0101 -0.0970 144 THR A CG2 873 N N . GLY A 118 ? 1.1724 0.8352 1.0309 -0.0957 -0.0105 -0.1079 145 GLY A N 874 C CA . GLY A 118 ? 1.1547 0.8355 1.0368 -0.1159 -0.0199 -0.1160 145 GLY A CA 875 C C . GLY A 118 ? 1.1285 0.8501 1.0384 -0.1191 -0.0385 -0.1197 145 GLY A C 876 O O . GLY A 118 ? 1.1185 0.8516 1.0298 -0.1045 -0.0431 -0.1141 145 GLY A O 877 N N . PRO A 119 ? 1.1131 0.8573 1.0449 -0.1381 -0.0495 -0.1291 146 PRO A N 878 C CA . PRO A 119 ? 1.1140 0.9003 1.0733 -0.1393 -0.0687 -0.1344 146 PRO A CA 879 C C . PRO A 119 ? 1.0868 0.9113 1.0839 -0.1266 -0.0663 -0.1262 146 PRO A C 880 O O . PRO A 119 ? 1.0894 0.9342 1.0944 -0.1158 -0.0803 -0.1264 146 PRO A O 881 C CB . PRO A 119 ? 1.1109 0.9140 1.0867 -0.1646 -0.0772 -0.1466 146 PRO A CB 882 C CG . PRO A 119 ? 1.1132 0.8927 1.0836 -0.1759 -0.0588 -0.1435 146 PRO A CG 883 C CD . PRO A 119 ? 1.1292 0.8632 1.0630 -0.1591 -0.0440 -0.1348 146 PRO A CD 884 N N . CYS A 120 ? 1.0687 0.8988 1.0847 -0.1272 -0.0499 -0.1193 147 CYS A N 885 C CA . CYS A 120 ? 1.0493 0.9101 1.0973 -0.1150 -0.0462 -0.1114 147 CYS A CA 886 C C . CYS A 120 ? 1.0226 0.9313 1.1063 -0.1171 -0.0623 -0.1187 147 CYS A C 887 O O . CYS A 120 ? 0.9878 0.9122 1.0790 -0.1016 -0.0725 -0.1162 147 CYS A O 888 C CB . CYS A 120 ? 1.0621 0.9070 1.0933 -0.0944 -0.0428 -0.1007 147 CYS A CB 889 S SG . CYS A 120 ? 1.1129 0.9107 1.1076 -0.0883 -0.0226 -0.0923 147 CYS A SG 890 N N . ALA A 121 ? 1.0320 0.9634 1.1366 -0.1363 -0.0643 -0.1278 148 ALA A N 891 C CA . ALA A 121 ? 1.0187 1.0011 1.1595 -0.1401 -0.0796 -0.1373 148 ALA A CA 892 C C . ALA A 121 ? 0.9705 0.9885 1.1479 -0.1318 -0.0725 -0.1330 148 ALA A C 893 O O . ALA A 121 ? 0.9687 1.0171 1.1745 -0.1458 -0.0671 -0.1378 148 ALA A O 894 C CB . ALA A 121 ? 1.0430 1.0379 1.1918 -0.1668 -0.0839 -0.1493 148 ALA A CB 895 N N . GLY A 122 ? 0.9362 0.9490 1.1106 -0.1097 -0.0725 -0.1241 149 GLY A N 896 C CA . GLY A 122 ? 0.8890 0.9273 1.0913 -0.0993 -0.0663 -0.1195 149 GLY A CA 897 C C . GLY A 122 ? 0.8908 0.9050 1.0773 -0.0791 -0.0627 -0.1073 149 GLY A C 898 O O . GLY A 122 ? 0.9012 0.8769 1.0566 -0.0767 -0.0566 -0.1001 149 GLY A O 899 N N . ASP A 123 ? 0.8719 0.9094 1.0799 -0.0652 -0.0659 -0.1053 150 ASP A N 900 C CA . ASP A 123 ? 0.8454 0.8626 1.0402 -0.0472 -0.0653 -0.0944 150 ASP A CA 901 C C . ASP A 123 ? 0.8190 0.8116 1.0050 -0.0485 -0.0459 -0.0833 150 ASP A C 902 O O . ASP A 123 ? 0.8486 0.8137 1.0131 -0.0403 -0.0428 -0.0738 150 ASP A O 903 C CB . ASP A 123 ? 0.8267 0.8731 1.0453 -0.0321 -0.0753 -0.0966 150 ASP A CB 904 C CG . ASP A 123 ? 0.8479 0.9173 1.0732 -0.0248 -0.0972 -0.1068 150 ASP A CG 905 O OD1 . ASP A 123 ? 0.8890 0.9456 1.0948 -0.0295 -0.1065 -0.1101 150 ASP A OD1 906 O OD2 . ASP A 123 ? 0.8452 0.9456 1.0943 -0.0129 -0.1058 -0.1120 150 ASP A OD2 907 N N . PHE A 124 ? 0.7862 0.7899 0.9886 -0.0587 -0.0332 -0.0843 151 PHE A N 908 C CA . PHE A 124 ? 0.7522 0.7343 0.9470 -0.0593 -0.0161 -0.0748 151 PHE A CA 909 C C . PHE A 124 ? 0.7485 0.7215 0.9393 -0.0763 -0.0039 -0.0772 151 PHE A C 910 O O . PHE A 124 ? 0.7424 0.7351 0.9458 -0.0898 -0.0066 -0.0863 151 PHE A O 911 C CB . PHE A 124 ? 0.7146 0.7142 0.9302 -0.0504 -0.0129 -0.0712 151 PHE A CB 912 C CG . PHE A 124 ? 0.7092 0.7108 0.9249 -0.0337 -0.0245 -0.0681 151 PHE A CG 913 C CD1 . PHE A 124 ? 0.7040 0.6786 0.9015 -0.0257 -0.0217 -0.0574 151 PHE A CD1 914 C CD2 . PHE A 124 ? 0.7042 0.7345 0.9376 -0.0259 -0.0386 -0.0760 151 PHE A CD2 915 C CE1 . PHE A 124 ? 0.7055 0.6769 0.8992 -0.0124 -0.0326 -0.0539 151 PHE A CE1 916 C CE2 . PHE A 124 ? 0.6928 0.7185 0.9215 -0.0094 -0.0505 -0.0730 151 PHE A CE2 917 C CZ . PHE A 124 ? 0.6994 0.6931 0.9066 -0.0038 -0.0475 -0.0615 151 PHE A CZ 918 N N . ALA A 125 ? 0.7420 0.6852 0.9149 -0.0754 0.0090 -0.0690 152 ALA A N 919 C CA . ALA A 125 ? 0.7660 0.6901 0.9276 -0.0887 0.0209 -0.0696 152 ALA A CA 920 C C . ALA A 125 ? 0.7529 0.6841 0.9282 -0.0891 0.0318 -0.0651 152 ALA A C 921 O O . ALA A 125 ? 0.7508 0.6759 0.9263 -0.0766 0.0362 -0.0568 152 ALA A O 922 C CB . ALA A 125 ? 0.7872 0.6728 0.9179 -0.0842 0.0276 -0.0642 152 ALA A CB 923 N N . PHE A 126 ? 0.7556 0.6994 0.9412 -0.1044 0.0361 -0.0705 153 PHE A N 924 C CA . PHE A 126 ? 0.7393 0.6893 0.9349 -0.1065 0.0469 -0.0668 153 PHE A CA 925 C C . PHE A 126 ? 0.7698 0.6867 0.9428 -0.1189 0.0588 -0.0644 153 PHE A C 926 O O . PHE A 126 ? 0.8116 0.7024 0.9628 -0.1264 0.0583 -0.0667 153 PHE A O 927 C CB . PHE A 126 ? 0.7333 0.7249 0.9572 -0.1150 0.0444 -0.0746 153 PHE A CB 928 C CG . PHE A 126 ? 0.7149 0.7385 0.9606 -0.1004 0.0322 -0.0778 153 PHE A CG 929 C CD1 . PHE A 126 ? 0.7189 0.7560 0.9688 -0.0992 0.0180 -0.0847 153 PHE A CD1 930 C CD2 . PHE A 126 ? 0.6909 0.7283 0.9499 -0.0870 0.0337 -0.0742 153 PHE A CD2 931 C CE1 . PHE A 126 ? 0.7065 0.7689 0.9728 -0.0839 0.0054 -0.0876 153 PHE A CE1 932 C CE2 . PHE A 126 ? 0.6886 0.7504 0.9638 -0.0724 0.0216 -0.0775 153 PHE A CE2 933 C CZ . PHE A 126 ? 0.6867 0.7603 0.9652 -0.0703 0.0073 -0.0840 153 PHE A CZ 934 N N . HIS A 127 ? 0.7592 0.6740 0.9342 -0.1199 0.0689 -0.0597 154 HIS A N 935 C CA . HIS A 127 ? 0.7907 0.6730 0.9426 -0.1319 0.0799 -0.0570 154 HIS A CA 936 C C . HIS A 127 ? 0.8165 0.7169 0.9780 -0.1555 0.0832 -0.0641 154 HIS A C 937 O O . HIS A 127 ? 0.7961 0.7313 0.9816 -0.1574 0.0852 -0.0660 154 HIS A O 938 C CB . HIS A 127 ? 0.7837 0.6527 0.9299 -0.1203 0.0881 -0.0479 154 HIS A CB 939 C CG . HIS A 127 ? 0.8160 0.6389 0.9296 -0.1222 0.0964 -0.0428 154 HIS A CG 940 N ND1 . HIS A 127 ? 0.8502 0.6540 0.9477 -0.1398 0.1047 -0.0431 154 HIS A ND1 941 C CD2 . HIS A 127 ? 0.8238 0.6152 0.9164 -0.1079 0.0975 -0.0374 154 HIS A CD2 942 C CE1 . HIS A 127 ? 0.8848 0.6432 0.9504 -0.1350 0.1094 -0.0380 154 HIS A CE1 943 N NE2 . HIS A 127 ? 0.8750 0.6275 0.9387 -0.1147 0.1051 -0.0350 154 HIS A NE2 944 N N . LYS A 128 ? 0.8702 0.7470 1.0122 -0.1739 0.0843 -0.0682 155 LYS A N 945 C CA . LYS A 128 ? 0.8954 0.7899 1.0465 -0.2008 0.0873 -0.0753 155 LYS A CA 946 C C . LYS A 128 ? 0.9050 0.7964 1.0529 -0.2112 0.1014 -0.0706 155 LYS A C 947 O O . LYS A 128 ? 0.9005 0.8226 1.0664 -0.2304 0.1059 -0.0758 155 LYS A O 948 C CB . LYS A 128 ? 0.9453 0.8061 1.0699 -0.2193 0.0849 -0.0801 155 LYS A CB 949 C CG . LYS A 128 ? 0.9598 0.8263 1.0860 -0.2138 0.0705 -0.0868 155 LYS A CG 950 C CD . LYS A 128 ? 1.0158 0.8483 1.1144 -0.2350 0.0681 -0.0928 155 LYS A CD 951 C CE . LYS A 128 ? 1.0340 0.8686 1.1295 -0.2294 0.0533 -0.0998 155 LYS A CE 952 N NZ . LYS A 128 ? 1.0928 0.9038 1.1672 -0.2546 0.0485 -0.1083 155 LYS A NZ 953 N N . GLU A 129 ? 0.9241 0.7782 1.0480 -0.1988 0.1084 -0.0610 156 GLU A N 954 C CA . GLU A 129 ? 0.9533 0.7986 1.0686 -0.2045 0.1210 -0.0549 156 GLU A CA 955 C C . GLU A 129 ? 0.9151 0.7925 1.0535 -0.1866 0.1224 -0.0516 156 GLU A C 956 O O . GLU A 129 ? 0.9292 0.7972 1.0577 -0.1878 0.1321 -0.0460 156 GLU A O 957 C CB . GLU A 129 ? 1.0040 0.7868 1.0758 -0.2015 0.1266 -0.0469 156 GLU A CB 958 C CG . GLU A 129 ? 1.0608 0.8069 1.1049 -0.2223 0.1265 -0.0509 156 GLU A CG 959 C CD . GLU A 129 ? 1.1163 0.7978 1.1155 -0.2134 0.1289 -0.0446 156 GLU A CD 960 O OE1 . GLU A 129 ? 1.1647 0.8093 1.1362 -0.2283 0.1279 -0.0481 156 GLU A OE1 961 O OE2 . GLU A 129 ? 1.1212 0.7887 1.1124 -0.1910 0.1308 -0.0367 156 GLU A OE2 962 N N . GLY A 130 ? 0.8797 0.7918 1.0456 -0.1706 0.1121 -0.0551 157 GLY A N 963 C CA . GLY A 130 ? 0.8294 0.7721 1.0171 -0.1543 0.1114 -0.0536 157 GLY A CA 964 C C . GLY A 130 ? 0.8025 0.7210 0.9774 -0.1324 0.1107 -0.0443 157 GLY A C 965 O O . GLY A 130 ? 0.7928 0.7308 0.9816 -0.1196 0.1096 -0.0429 157 GLY A O 966 N N . ALA A 131 ? 0.7914 0.6690 0.9405 -0.1276 0.1107 -0.0387 158 ALA A N 967 C CA . ALA A 131 ? 0.7812 0.6396 0.9205 -0.1074 0.1096 -0.0304 158 ALA A CA 968 C C . ALA A 131 ? 0.7561 0.6330 0.9134 -0.0907 0.0989 -0.0307 158 ALA A C 969 O O . ALA A 131 ? 0.7502 0.6504 0.9237 -0.0938 0.0921 -0.0370 158 ALA A O 970 C CB . ALA A 131 ? 0.8114 0.6224 0.9176 -0.1065 0.1137 -0.0252 158 ALA A CB 971 N N . PHE A 132 ? 0.7385 0.6046 0.8919 -0.0737 0.0971 -0.0237 159 PHE A N 972 C CA . PHE A 132 ? 0.7189 0.5995 0.8869 -0.0595 0.0882 -0.0224 159 PHE A CA 973 C C . PHE A 132 ? 0.7293 0.5881 0.8836 -0.0518 0.0875 -0.0187 159 PHE A C 974 O O . PHE A 132 ? 0.7461 0.5763 0.8793 -0.0506 0.0933 -0.0155 159 PHE A O 975 C CB . PHE A 132 ? 0.7066 0.5970 0.8842 -0.0472 0.0859 -0.0177 159 PHE A CB 976 C CG . PHE A 132 ? 0.7083 0.6236 0.9006 -0.0507 0.0857 -0.0222 159 PHE A CG 977 C CD1 . PHE A 132 ? 0.6991 0.6421 0.9115 -0.0474 0.0775 -0.0275 159 PHE A CD1 978 C CD2 . PHE A 132 ? 0.7228 0.6329 0.9066 -0.0562 0.0939 -0.0214 159 PHE A CD2 979 C CE1 . PHE A 132 ? 0.6864 0.6540 0.9125 -0.0479 0.0776 -0.0328 159 PHE A CE1 980 C CE2 . PHE A 132 ? 0.7301 0.6655 0.9271 -0.0586 0.0954 -0.0262 159 PHE A CE2 981 C CZ . PHE A 132 ? 0.7040 0.6696 0.9233 -0.0536 0.0873 -0.0324 159 PHE A CZ 982 N N . PHE A 133 ? 0.7147 0.5865 0.8793 -0.0455 0.0804 -0.0192 160 PHE A N 983 C CA . PHE A 133 ? 0.7236 0.5826 0.8796 -0.0356 0.0803 -0.0149 160 PHE A CA 984 C C . PHE A 133 ? 0.7081 0.5761 0.8752 -0.0232 0.0782 -0.0081 160 PHE A C 985 O O . PHE A 133 ? 0.6689 0.5562 0.8519 -0.0207 0.0714 -0.0078 160 PHE A O 986 C CB . PHE A 133 ? 0.7271 0.5928 0.8842 -0.0376 0.0745 -0.0187 160 PHE A CB 987 C CG . PHE A 133 ? 0.7493 0.6090 0.8974 -0.0512 0.0744 -0.0263 160 PHE A CG 988 C CD1 . PHE A 133 ? 0.7705 0.6011 0.8947 -0.0552 0.0802 -0.0276 160 PHE A CD1 989 C CD2 . PHE A 133 ? 0.7408 0.6241 0.9043 -0.0600 0.0682 -0.0330 160 PHE A CD2 990 C CE1 . PHE A 133 ? 0.7902 0.6131 0.9049 -0.0701 0.0793 -0.0349 160 PHE A CE1 991 C CE2 . PHE A 133 ? 0.7502 0.6318 0.9082 -0.0746 0.0674 -0.0406 160 PHE A CE2 992 C CZ . PHE A 133 ? 0.7861 0.6364 0.9191 -0.0811 0.0728 -0.0414 160 PHE A CZ 993 N N . LEU A 134 ? 0.7334 0.5860 0.8909 -0.0154 0.0832 -0.0031 161 LEU A N 994 C CA . LEU A 134 ? 0.7290 0.5902 0.8968 -0.0048 0.0807 0.0028 161 LEU A CA 995 C C . LEU A 134 ? 0.7153 0.5828 0.8880 0.0023 0.0798 0.0063 161 LEU A C 996 O O . LEU A 134 ? 0.7349 0.5900 0.8954 0.0064 0.0853 0.0065 161 LEU A O 997 C CB . LEU A 134 ? 0.7548 0.5983 0.9101 0.0014 0.0852 0.0061 161 LEU A CB 998 C CG . LEU A 134 ? 0.7698 0.6020 0.9146 -0.0063 0.0883 0.0043 161 LEU A CG 999 C CD1 . LEU A 134 ? 0.7952 0.6065 0.9242 0.0030 0.0909 0.0090 161 LEU A CD1 1000 C CD2 . LEU A 134 ? 0.7534 0.6073 0.9143 -0.0105 0.0838 0.0025 161 LEU A CD2 1001 N N . TYR A 135 ? 0.7010 0.5867 0.8897 0.0035 0.0734 0.0088 162 TYR A N 1002 C CA . TYR A 135 ? 0.7016 0.5959 0.8963 0.0076 0.0729 0.0132 162 TYR A CA 1003 C C . TYR A 135 ? 0.6987 0.6034 0.9061 0.0141 0.0705 0.0186 162 TYR A C 1004 O O . TYR A 135 ? 0.7253 0.6248 0.9308 0.0178 0.0707 0.0187 162 TYR A O 1005 C CB . TYR A 135 ? 0.6973 0.5998 0.8966 0.0018 0.0662 0.0120 162 TYR A CB 1006 C CG . TYR A 135 ? 0.7134 0.6080 0.9010 -0.0039 0.0667 0.0060 162 TYR A CG 1007 C CD1 . TYR A 135 ? 0.7328 0.6186 0.9073 -0.0035 0.0713 0.0058 162 TYR A CD1 1008 C CD2 . TYR A 135 ? 0.7099 0.6074 0.8996 -0.0098 0.0624 -0.0001 162 TYR A CD2 1009 C CE1 . TYR A 135 ? 0.7497 0.6271 0.9120 -0.0093 0.0701 -0.0003 162 TYR A CE1 1010 C CE2 . TYR A 135 ? 0.7137 0.6072 0.8951 -0.0163 0.0615 -0.0063 162 TYR A CE2 1011 C CZ . TYR A 135 ? 0.7346 0.6166 0.9014 -0.0163 0.0645 -0.0064 162 TYR A CZ 1012 O OH . TYR A 135 ? 0.7458 0.6229 0.9030 -0.0232 0.0619 -0.0131 162 TYR A OH 1013 N N . ASP A 136 ? 0.6814 0.5997 0.8999 0.0145 0.0681 0.0233 163 ASP A N 1014 C CA . ASP A 136 ? 0.6737 0.6045 0.9063 0.0184 0.0642 0.0278 163 ASP A CA 1015 C C . ASP A 136 ? 0.6679 0.5997 0.9060 0.0152 0.0545 0.0268 163 ASP A C 1016 O O . ASP A 136 ? 0.6585 0.5945 0.9017 0.0100 0.0477 0.0276 163 ASP A O 1017 C CB . ASP A 136 ? 0.6666 0.6129 0.9100 0.0164 0.0650 0.0331 163 ASP A CB 1018 C CG . ASP A 136 ? 0.6512 0.6131 0.9116 0.0170 0.0589 0.0373 163 ASP A CG 1019 O OD1 . ASP A 136 ? 0.6501 0.6216 0.9191 0.0094 0.0550 0.0412 163 ASP A OD1 1020 O OD2 . ASP A 136 ? 0.6380 0.6005 0.9011 0.0244 0.0570 0.0367 163 ASP A OD2 1021 N N . ARG A 137 ? 0.7012 0.6261 0.9348 0.0192 0.0541 0.0249 164 ARG A N 1022 C CA . ARG A 137 ? 0.7162 0.6409 0.9518 0.0182 0.0463 0.0232 164 ARG A CA 1023 C C . ARG A 137 ? 0.7002 0.6239 0.9339 0.0125 0.0430 0.0182 164 ARG A C 1024 O O . ARG A 137 ? 0.6971 0.6226 0.9337 0.0127 0.0355 0.0165 164 ARG A O 1025 C CB . ARG A 137 ? 0.7405 0.6758 0.9887 0.0192 0.0376 0.0273 164 ARG A CB 1026 C CG . ARG A 137 ? 0.7679 0.7084 1.0204 0.0267 0.0383 0.0308 164 ARG A CG 1027 C CD . ARG A 137 ? 0.7892 0.7456 1.0580 0.0245 0.0301 0.0348 164 ARG A CD 1028 N NE . ARG A 137 ? 0.7974 0.7652 1.0751 0.0184 0.0338 0.0380 164 ARG A NE 1029 C CZ . ARG A 137 ? 0.7979 0.7757 1.0864 0.0099 0.0277 0.0415 164 ARG A CZ 1030 N NH1 . ARG A 137 ? 0.7751 0.7608 1.0674 0.0039 0.0336 0.0449 164 ARG A NH1 1031 N NH2 . ARG A 137 ? 0.8182 0.7957 1.1110 0.0066 0.0160 0.0418 164 ARG A NH2 1032 N N . LEU A 138 ? 0.6842 0.6049 0.9124 0.0087 0.0478 0.0152 165 LEU A N 1033 C CA . LEU A 138 ? 0.6756 0.5988 0.9033 0.0048 0.0446 0.0093 165 LEU A CA 1034 C C . LEU A 138 ? 0.6704 0.5879 0.8892 0.0005 0.0527 0.0050 165 LEU A C 1035 O O . LEU A 138 ? 0.6631 0.5731 0.8748 0.0000 0.0583 0.0065 165 LEU A O 1036 C CB . LEU A 138 ? 0.6609 0.5871 0.8910 0.0029 0.0382 0.0101 165 LEU A CB 1037 C CG . LEU A 138 ? 0.6604 0.5879 0.8961 0.0043 0.0289 0.0141 165 LEU A CG 1038 C CD1 . LEU A 138 ? 0.6704 0.5949 0.9030 0.0011 0.0250 0.0175 165 LEU A CD1 1039 C CD2 . LEU A 138 ? 0.6533 0.5818 0.8905 0.0075 0.0210 0.0091 165 LEU A CD2 1040 N N . ALA A 139 ? 0.6591 0.5797 0.8775 -0.0027 0.0538 -0.0004 166 ALA A N 1041 C CA . ALA A 139 ? 0.6765 0.5930 0.8874 -0.0104 0.0608 -0.0051 166 ALA A CA 1042 C C . ALA A 139 ? 0.6814 0.6124 0.9001 -0.0146 0.0556 -0.0117 166 ALA A C 1043 O O . ALA A 139 ? 0.6713 0.6162 0.8999 -0.0117 0.0499 -0.0151 166 ALA A O 1044 C CB . ALA A 139 ? 0.6785 0.5908 0.8836 -0.0131 0.0667 -0.0063 166 ALA A CB 1045 N N . SER A 140 ? 0.6853 0.6128 0.8988 -0.0198 0.0564 -0.0141 167 SER A N 1046 C CA . SER A 140 ? 0.6644 0.6064 0.8848 -0.0234 0.0499 -0.0210 167 SER A CA 1047 C C . SER A 140 ? 0.6835 0.6282 0.9014 -0.0354 0.0551 -0.0277 167 SER A C 1048 O O . SER A 140 ? 0.6781 0.6049 0.8824 -0.0416 0.0635 -0.0262 167 SER A O 1049 C CB . SER A 140 ? 0.6561 0.5927 0.8712 -0.0207 0.0439 -0.0192 167 SER A CB 1050 O OG . SER A 140 ? 0.6438 0.5941 0.8647 -0.0216 0.0349 -0.0259 167 SER A OG 1051 N N . THR A 141 ? 0.6701 0.6372 0.9007 -0.0383 0.0492 -0.0355 168 THR A N 1052 C CA . THR A 141 ? 0.6670 0.6435 0.8997 -0.0519 0.0522 -0.0430 168 THR A CA 1053 C C . THR A 141 ? 0.6827 0.6475 0.9041 -0.0572 0.0485 -0.0451 168 THR A C 1054 O O . THR A 141 ? 0.7209 0.6871 0.9397 -0.0709 0.0510 -0.0509 168 THR A O 1055 C CB . THR A 141 ? 0.6552 0.6668 0.9097 -0.0520 0.0467 -0.0518 168 THR A CB 1056 O OG1 . THR A 141 ? 0.6435 0.6653 0.9048 -0.0409 0.0331 -0.0541 168 THR A OG1 1057 C CG2 . THR A 141 ? 0.6424 0.6642 0.9047 -0.0472 0.0519 -0.0510 168 THR A CG2 1058 N N . VAL A 142 ? 0.6745 0.6273 0.8877 -0.0478 0.0430 -0.0404 169 VAL A N 1059 C CA . VAL A 142 ? 0.6977 0.6388 0.8971 -0.0506 0.0388 -0.0424 169 VAL A CA 1060 C C . VAL A 142 ? 0.7035 0.6184 0.8840 -0.0444 0.0437 -0.0345 169 VAL A C 1061 O O . VAL A 142 ? 0.6933 0.6038 0.8754 -0.0365 0.0477 -0.0272 169 VAL A O 1062 C CB . VAL A 142 ? 0.7053 0.6634 0.9125 -0.0454 0.0245 -0.0469 169 VAL A CB 1063 C CG1 . VAL A 142 ? 0.6988 0.6888 0.9280 -0.0491 0.0194 -0.0559 169 VAL A CG1 1064 C CG2 . VAL A 142 ? 0.6949 0.6487 0.9011 -0.0318 0.0191 -0.0397 169 VAL A CG2 1065 N N . ILE A 143 ? 0.7365 0.6362 0.8994 -0.0480 0.0432 -0.0368 170 ILE A N 1066 C CA . ILE A 143 ? 0.7628 0.6397 0.9064 -0.0417 0.0492 -0.0309 170 ILE A CA 1067 C C . ILE A 143 ? 0.7674 0.6470 0.9079 -0.0342 0.0422 -0.0274 170 ILE A C 1068 O O . ILE A 143 ? 0.7859 0.6710 0.9240 -0.0362 0.0318 -0.0324 170 ILE A O 1069 C CB . ILE A 143 ? 0.7880 0.6418 0.9085 -0.0485 0.0533 -0.0357 170 ILE A CB 1070 C CG1 . ILE A 143 ? 0.8055 0.6492 0.9233 -0.0574 0.0608 -0.0381 170 ILE A CG1 1071 C CG2 . ILE A 143 ? 0.8034 0.6367 0.9041 -0.0393 0.0604 -0.0304 170 ILE A CG2 1072 C CD1 . ILE A 143 ? 0.8452 0.6633 0.9388 -0.0671 0.0628 -0.0442 170 ILE A CD1 1073 N N . TYR A 144 ? 0.7611 0.6367 0.9006 -0.0262 0.0472 -0.0188 171 TYR A N 1074 C CA . TYR A 144 ? 0.7762 0.6493 0.9075 -0.0214 0.0431 -0.0139 171 TYR A CA 1075 C C . TYR A 144 ? 0.7920 0.6469 0.9002 -0.0199 0.0514 -0.0123 171 TYR A C 1076 O O . TYR A 144 ? 0.7903 0.6354 0.8922 -0.0186 0.0617 -0.0125 171 TYR A O 1077 C CB . TYR A 144 ? 0.7669 0.6482 0.9110 -0.0162 0.0430 -0.0056 171 TYR A CB 1078 C CG . TYR A 144 ? 0.7526 0.6489 0.9165 -0.0158 0.0358 -0.0077 171 TYR A CG 1079 C CD1 . TYR A 144 ? 0.7563 0.6610 0.9245 -0.0150 0.0231 -0.0125 171 TYR A CD1 1080 C CD2 . TYR A 144 ? 0.7443 0.6462 0.9210 -0.0145 0.0414 -0.0055 171 TYR A CD2 1081 C CE1 . TYR A 144 ? 0.7533 0.6728 0.9387 -0.0126 0.0175 -0.0155 171 TYR A CE1 1082 C CE2 . TYR A 144 ? 0.7501 0.6645 0.9419 -0.0134 0.0357 -0.0080 171 TYR A CE2 1083 C CZ . TYR A 144 ? 0.7620 0.6859 0.9585 -0.0122 0.0244 -0.0133 171 TYR A CZ 1084 O OH . TYR A 144 ? 0.8063 0.7436 1.0171 -0.0091 0.0197 -0.0166 171 TYR A OH 1085 N N . ARG A 145 ? 0.8085 0.6573 0.9015 -0.0189 0.0465 -0.0110 172 ARG A N 1086 C CA . ARG A 145 ? 0.8334 0.6648 0.9008 -0.0172 0.0540 -0.0105 172 ARG A CA 1087 C C . ARG A 145 ? 0.8042 0.6363 0.8728 -0.0113 0.0682 -0.0027 172 ARG A C 1088 O O . ARG A 145 ? 0.7574 0.6017 0.8403 -0.0099 0.0688 0.0047 172 ARG A O 1089 C CB . ARG A 145 ? 0.8722 0.6966 0.9214 -0.0172 0.0453 -0.0094 172 ARG A CB 1090 C CG . ARG A 145 ? 0.9316 0.7365 0.9497 -0.0155 0.0525 -0.0097 172 ARG A CG 1091 C CD . ARG A 145 ? 0.9825 0.7803 0.9823 -0.0146 0.0475 -0.0041 172 ARG A CD 1092 N NE . ARG A 145 ? 1.0105 0.8103 1.0113 -0.0163 0.0287 -0.0082 172 ARG A NE 1093 C CZ . ARG A 145 ? 1.0307 0.8271 1.0243 -0.0147 0.0190 -0.0028 172 ARG A CZ 1094 N NH1 . ARG A 145 ? 1.0516 0.8414 1.0354 -0.0145 0.0270 0.0079 172 ARG A NH1 1095 N NH2 . ARG A 145 ? 1.0457 0.8453 1.0415 -0.0135 0.0008 -0.0083 172 ARG A NH2 1096 N N . GLY A 146 ? 0.8231 0.6423 0.8765 -0.0076 0.0789 -0.0052 173 GLY A N 1097 C CA . GLY A 146 ? 0.8264 0.6484 0.8781 0.0002 0.0930 0.0007 173 GLY A CA 1098 C C . GLY A 146 ? 0.7930 0.6344 0.8721 0.0032 0.0964 0.0069 173 GLY A C 1099 O O . GLY A 146 ? 0.7749 0.6289 0.8609 0.0064 0.1038 0.0139 173 GLY A O 1100 N N . THR A 147 ? 0.7908 0.6353 0.8849 0.0012 0.0910 0.0042 174 THR A N 1101 C CA . THR A 147 ? 0.7661 0.6267 0.8843 0.0037 0.0915 0.0090 174 THR A CA 1102 C C . THR A 147 ? 0.7699 0.6214 0.8877 0.0076 0.0952 0.0052 174 THR A C 1103 O O . THR A 147 ? 0.7793 0.6177 0.8883 0.0022 0.0916 -0.0011 174 THR A O 1104 C CB . THR A 147 ? 0.7531 0.6245 0.8872 -0.0025 0.0794 0.0102 174 THR A CB 1105 O OG1 . THR A 147 ? 0.7514 0.6229 0.8785 -0.0060 0.0740 0.0130 174 THR A OG1 1106 C CG2 . THR A 147 ? 0.7437 0.6302 0.8996 0.0000 0.0793 0.0156 174 THR A CG2 1107 N N . THR A 148 ? 0.7615 0.6202 0.8882 0.0165 0.1021 0.0091 175 THR A N 1108 C CA . THR A 148 ? 0.7607 0.6051 0.8802 0.0234 0.1066 0.0063 175 THR A CA 1109 C C . THR A 148 ? 0.7552 0.6005 0.8858 0.0183 0.0999 0.0059 175 THR A C 1110 O O . THR A 148 ? 0.7385 0.6023 0.8890 0.0169 0.0949 0.0101 175 THR A O 1111 C CB . THR A 148 ? 0.7507 0.6048 0.8761 0.0375 0.1150 0.0103 175 THR A CB 1112 O OG1 . THR A 148 ? 0.7651 0.6171 0.8768 0.0428 0.1235 0.0094 175 THR A OG1 1113 C CG2 . THR A 148 ? 0.7731 0.6090 0.8888 0.0470 0.1176 0.0079 175 THR A CG2 1114 N N . PHE A 149 ? 0.7634 0.5870 0.8788 0.0149 0.1004 0.0009 176 PHE A N 1115 C CA . PHE A 149 ? 0.7536 0.5767 0.8759 0.0088 0.0963 0.0003 176 PHE A CA 1116 C C . PHE A 149 ? 0.7713 0.5675 0.8745 0.0116 0.1011 -0.0013 176 PHE A C 1117 O O . PHE A 149 ? 0.8102 0.5826 0.8907 0.0141 0.1057 -0.0047 176 PHE A O 1118 C CB . PHE A 149 ? 0.7482 0.5770 0.8744 -0.0052 0.0895 -0.0046 176 PHE A CB 1119 C CG . PHE A 149 ? 0.7649 0.5739 0.8707 -0.0137 0.0904 -0.0115 176 PHE A CG 1120 C CD1 . PHE A 149 ? 0.7920 0.5800 0.8835 -0.0208 0.0934 -0.0151 176 PHE A CD1 1121 C CD2 . PHE A 149 ? 0.7744 0.5836 0.8730 -0.0159 0.0877 -0.0145 176 PHE A CD2 1122 C CE1 . PHE A 149 ? 0.8136 0.5818 0.8855 -0.0311 0.0932 -0.0219 176 PHE A CE1 1123 C CE2 . PHE A 149 ? 0.8071 0.5973 0.8859 -0.0244 0.0869 -0.0217 176 PHE A CE2 1124 C CZ . PHE A 149 ? 0.8162 0.5865 0.8827 -0.0327 0.0894 -0.0257 176 PHE A CZ 1125 N N . ALA A 150 ? 0.7572 0.5540 0.8662 0.0114 0.0996 0.0011 177 ALA A N 1126 C CA . ALA A 150 ? 0.7904 0.5585 0.8785 0.0095 0.1028 0.0000 177 ALA A CA 1127 C C . ALA A 150 ? 0.7863 0.5570 0.8772 -0.0079 0.1006 -0.0034 177 ALA A C 1128 O O . ALA A 150 ? 0.7532 0.5508 0.8661 -0.0121 0.0958 -0.0031 177 ALA A O 1129 C CB . ALA A 150 ? 0.7933 0.5592 0.8827 0.0227 0.1030 0.0054 177 ALA A CB 1130 N N . GLU A 151 ? 0.8120 0.5550 0.8802 -0.0181 0.1042 -0.0069 178 GLU A N 1131 C CA . GLU A 151 ? 0.8143 0.5609 0.8848 -0.0355 0.1043 -0.0098 178 GLU A CA 1132 C C . GLU A 151 ? 0.8279 0.5723 0.8983 -0.0313 0.1060 -0.0045 178 GLU A C 1133 O O . GLU A 151 ? 0.8539 0.5757 0.9079 -0.0191 0.1080 -0.0001 178 GLU A O 1134 C CB . GLU A 151 ? 0.8474 0.5622 0.8912 -0.0501 0.1083 -0.0144 178 GLU A CB 1135 C CG . GLU A 151 ? 0.8578 0.5740 0.8996 -0.0584 0.1053 -0.0212 178 GLU A CG 1136 C CD . GLU A 151 ? 0.9168 0.5925 0.9260 -0.0703 0.1086 -0.0253 178 GLU A CD 1137 O OE1 . GLU A 151 ? 0.9276 0.6069 0.9375 -0.0913 0.1074 -0.0311 178 GLU A OE1 1138 O OE2 . GLU A 151 ? 0.9513 0.5912 0.9335 -0.0586 0.1121 -0.0231 178 GLU A OE2 1139 N N . GLY A 152 ? 0.8206 0.5881 0.9077 -0.0401 0.1049 -0.0055 179 GLY A N 1140 C CA . GLY A 152 ? 0.8098 0.5746 0.8941 -0.0367 0.1065 -0.0010 179 GLY A CA 1141 C C . GLY A 152 ? 0.7796 0.5710 0.8810 -0.0468 0.1066 -0.0038 179 GLY A C 1142 O O . GLY A 152 ? 0.7710 0.5850 0.8882 -0.0571 0.1051 -0.0098 179 GLY A O 1143 N N . VAL A 153 ? 0.7623 0.5511 0.8596 -0.0419 0.1077 0.0002 180 VAL A N 1144 C CA . VAL A 153 ? 0.7398 0.5497 0.8477 -0.0494 0.1097 -0.0022 180 VAL A CA 1145 C C . VAL A 153 ? 0.7271 0.5439 0.8406 -0.0345 0.1045 0.0020 180 VAL A C 1146 O O . VAL A 153 ? 0.7323 0.5349 0.8387 -0.0210 0.1004 0.0073 180 VAL A O 1147 C CB . VAL A 153 ? 0.7620 0.5518 0.8473 -0.0660 0.1203 -0.0023 180 VAL A CB 1148 C CG1 . VAL A 153 ? 0.7584 0.5573 0.8491 -0.0853 0.1240 -0.0092 180 VAL A CG1 1149 C CG2 . VAL A 153 ? 0.7876 0.5318 0.8385 -0.0613 0.1233 0.0040 180 VAL A CG2 1150 N N . VAL A 154 ? 0.7187 0.5584 0.8449 -0.0364 0.1041 -0.0009 181 VAL A N 1151 C CA . VAL A 154 ? 0.7033 0.5517 0.8363 -0.0231 0.0972 0.0014 181 VAL A CA 1152 C C . VAL A 154 ? 0.7267 0.5678 0.8439 -0.0254 0.1029 0.0023 181 VAL A C 1153 O O . VAL A 154 ? 0.7500 0.5964 0.8632 -0.0386 0.1123 -0.0013 181 VAL A O 1154 C CB . VAL A 154 ? 0.6691 0.5484 0.8291 -0.0190 0.0890 -0.0031 181 VAL A CB 1155 C CG1 . VAL A 154 ? 0.6687 0.5533 0.8326 -0.0073 0.0812 -0.0015 181 VAL A CG1 1156 C CG2 . VAL A 154 ? 0.6575 0.5398 0.8281 -0.0160 0.0833 -0.0024 181 VAL A CG2 1157 N N . ALA A 155 ? 0.7391 0.5690 0.8470 -0.0129 0.0972 0.0071 182 ALA A N 1158 C CA . ALA A 155 ? 0.7604 0.5807 0.8500 -0.0118 0.1006 0.0085 182 ALA A CA 1159 C C . ALA A 155 ? 0.7550 0.5887 0.8555 0.0013 0.0894 0.0078 182 ALA A C 1160 O O . ALA A 155 ? 0.7447 0.5873 0.8620 0.0097 0.0787 0.0087 182 ALA A O 1161 C CB . ALA A 155 ? 0.7950 0.5775 0.8524 -0.0090 0.1032 0.0157 182 ALA A CB 1162 N N . PHE A 156 ? 0.7768 0.6101 0.8652 0.0018 0.0924 0.0061 183 PHE A N 1163 C CA . PHE A 156 ? 0.7657 0.6051 0.8570 0.0137 0.0818 0.0049 183 PHE A CA 1164 C C . PHE A 156 ? 0.8059 0.6201 0.8657 0.0184 0.0828 0.0092 183 PHE A C 1165 O O . PHE A 156 ? 0.8421 0.6451 0.8807 0.0100 0.0955 0.0095 183 PHE A O 1166 C CB . PHE A 156 ? 0.7389 0.6048 0.8457 0.0123 0.0833 -0.0035 183 PHE A CB 1167 C CG . PHE A 156 ? 0.7192 0.6080 0.8533 0.0083 0.0816 -0.0078 183 PHE A CG 1168 C CD1 . PHE A 156 ? 0.7276 0.6301 0.8686 -0.0039 0.0928 -0.0120 183 PHE A CD1 1169 C CD2 . PHE A 156 ? 0.6997 0.5955 0.8514 0.0158 0.0684 -0.0075 183 PHE A CD2 1170 C CE1 . PHE A 156 ? 0.7191 0.6418 0.8835 -0.0065 0.0893 -0.0162 183 PHE A CE1 1171 C CE2 . PHE A 156 ? 0.6777 0.5907 0.8500 0.0127 0.0662 -0.0109 183 PHE A CE2 1172 C CZ . PHE A 156 ? 0.6971 0.6234 0.8755 0.0026 0.0760 -0.0154 183 PHE A CZ 1173 N N . LEU A 157 ? 0.8184 0.6239 0.8744 0.0309 0.0693 0.0123 184 LEU A N 1174 C CA . LEU A 157 ? 0.8786 0.6577 0.9028 0.0377 0.0670 0.0168 184 LEU A CA 1175 C C . LEU A 157 ? 0.8982 0.6809 0.9205 0.0476 0.0547 0.0140 184 LEU A C 1176 O O . LEU A 157 ? 0.8887 0.6888 0.9351 0.0519 0.0431 0.0113 184 LEU A O 1177 C CB . LEU A 157 ? 0.9126 0.6735 0.9302 0.0456 0.0594 0.0238 184 LEU A CB 1178 C CG . LEU A 157 ? 0.9028 0.6551 0.9214 0.0402 0.0670 0.0269 184 LEU A CG 1179 C CD1 . LEU A 157 ? 0.9161 0.6611 0.9374 0.0536 0.0555 0.0317 184 LEU A CD1 1180 C CD2 . LEU A 157 ? 0.9385 0.6624 0.9235 0.0305 0.0813 0.0296 184 LEU A CD2 1181 N N . ILE A 158 ? 0.9837 0.7467 0.9741 0.0507 0.0571 0.0149 185 ILE A N 1182 C CA . ILE A 158 ? 1.0485 0.8037 1.0273 0.0623 0.0422 0.0142 185 ILE A CA 1183 C C . ILE A 158 ? 1.0946 0.8238 1.0516 0.0701 0.0347 0.0221 185 ILE A C 1184 O O . ILE A 158 ? 1.1309 0.8349 1.0573 0.0675 0.0448 0.0267 185 ILE A O 1185 C CB . ILE A 158 ? 1.1010 0.8480 1.0526 0.0632 0.0485 0.0098 185 ILE A CB 1186 C CG1 . ILE A 158 ? 1.1159 0.8867 1.0816 0.0548 0.0629 0.0022 185 ILE A CG1 1187 C CG2 . ILE A 158 ? 1.1077 0.8515 1.0543 0.0748 0.0304 0.0065 185 ILE A CG2 1188 C CD1 . ILE A 158 ? 1.1629 0.9286 1.1017 0.0564 0.0719 -0.0025 185 ILE A CD1 1189 N N . LEU A 159 ? 1.1410 0.8762 1.1129 0.0796 0.0168 0.0235 186 LEU A N 1190 C CA . LEU A 159 ? 1.2174 0.9323 1.1707 0.0909 0.0059 0.0295 186 LEU A CA 1191 C C . LEU A 159 ? 1.3287 1.0288 1.2557 0.0993 -0.0058 0.0281 186 LEU A C 1192 O O . LEU A 159 ? 1.3468 1.0569 1.2781 0.0974 -0.0087 0.0218 186 LEU A O 1193 C CB . LEU A 159 ? 1.1781 0.9137 1.1648 0.0967 -0.0075 0.0309 186 LEU A CB 1194 C CG . LEU A 159 ? 1.1643 0.9168 1.1786 0.0893 0.0023 0.0314 186 LEU A CG 1195 C CD1 . LEU A 159 ? 1.1520 0.9313 1.2018 0.0934 -0.0107 0.0314 186 LEU A CD1 1196 C CD2 . LEU A 159 ? 1.1922 0.9210 1.1854 0.0900 0.0135 0.0365 186 LEU A CD2 1197 N N . PRO A 160 ? 1.4644 1.1386 1.3619 0.1099 -0.0139 0.0334 187 PRO A N 1198 C CA . PRO A 160 ? 1.5573 1.2206 1.4346 0.1201 -0.0311 0.0319 187 PRO A CA 1199 C C . PRO A 160 ? 1.6175 1.3079 1.5299 0.1250 -0.0528 0.0287 187 PRO A C 1200 O O . PRO A 160 ? 1.5929 1.3117 1.5451 0.1186 -0.0519 0.0270 187 PRO A O 1201 C CB . PRO A 160 ? 1.6035 1.2322 1.4418 0.1310 -0.0346 0.0392 187 PRO A CB 1202 C CG . PRO A 160 ? 1.5811 1.1938 1.4067 0.1225 -0.0134 0.0438 187 PRO A CG 1203 C CD . PRO A 160 ? 1.5054 1.1520 1.3773 0.1126 -0.0060 0.0407 187 PRO A CD 1204 N N . GLN A 161 ? 1.7625 1.4435 1.6589 0.1350 -0.0721 0.0279 188 GLN A N 1205 C CA . GLN A 161 ? 1.8251 1.5311 1.7532 0.1390 -0.0946 0.0258 188 GLN A CA 1206 C C . GLN A 161 ? 1.8888 1.5961 1.8195 0.1526 -0.1085 0.0309 188 GLN A C 1207 O O . GLN A 161 ? 1.8700 1.6061 1.8347 0.1545 -0.1245 0.0297 188 GLN A O 1208 C CB . GLN A 161 ? 1.8591 1.5592 1.7734 0.1400 -0.1106 0.0195 188 GLN A CB 1209 C CG . GLN A 161 ? 1.8589 1.5590 1.7714 0.1302 -0.1001 0.0128 188 GLN A CG 1210 C CD . GLN A 161 ? 1.9055 1.5755 1.7714 0.1324 -0.0866 0.0117 188 GLN A CD 1211 O OE1 . GLN A 161 ? 1.8980 1.5520 1.7426 0.1329 -0.0710 0.0172 188 GLN A OE1 1212 N NE2 . GLN A 161 ? 1.9200 1.5808 1.7679 0.1333 -0.0920 0.0043 188 GLN A NE2 1213 N N . ALA A 162 ? 1.9633 1.6397 1.8576 0.1620 -0.1027 0.0365 189 ALA A N 1214 C CA . ALA A 162 ? 2.0103 1.6838 1.9024 0.1784 -0.1151 0.0413 189 ALA A CA 1215 C C . ALA A 162 ? 2.0502 1.6883 1.9077 0.1834 -0.0994 0.0480 189 ALA A C 1216 O O . ALA A 162 ? 2.1163 1.7154 1.9255 0.1836 -0.0926 0.0507 189 ALA A O 1217 C CB . ALA A 162 ? 2.0336 1.6963 1.9036 0.1914 -0.1394 0.0401 189 ALA A CB 1218 N N . LYS A 163 ? 2.0211 1.6710 1.9010 0.1865 -0.0933 0.0507 190 LYS A N 1219 C CA . LYS A 163 ? 2.0182 1.6318 1.8654 0.1910 -0.0798 0.0567 190 LYS A CA 1220 C C . LYS A 163 ? 1.9689 1.5975 1.8405 0.2041 -0.0837 0.0584 190 LYS A C 1221 O O . LYS A 163 ? 1.9069 1.5355 1.7882 0.1978 -0.0680 0.0594 190 LYS A O 1222 C CB . LYS A 163 ? 1.9832 1.5863 1.8232 0.1709 -0.0543 0.0567 190 LYS A CB 1223 N N . SER A 184 ? 1.7009 1.6310 1.7200 0.7782 -0.3305 -0.2821 211 SER A N 1224 C CA . SER A 184 ? 1.6719 1.5955 1.7022 0.7374 -0.2890 -0.2703 211 SER A CA 1225 C C . SER A 184 ? 1.5992 1.5649 1.6701 0.6750 -0.2565 -0.2591 211 SER A C 1226 O O . SER A 184 ? 1.5672 1.5214 1.6173 0.6557 -0.2595 -0.2408 211 SER A O 1227 C CB . SER A 184 ? 1.7291 1.5375 1.6584 0.7384 -0.2800 -0.2349 211 SER A CB 1228 O OG . SER A 184 ? 1.8136 1.5710 1.6942 0.7970 -0.3091 -0.2439 211 SER A OG 1229 N N . GLY A 185 ? 1.5321 1.5411 1.6560 0.6449 -0.2254 -0.2709 212 GLY A N 1230 C CA . GLY A 185 ? 1.4430 1.4852 1.5998 0.5887 -0.1938 -0.2627 212 GLY A CA 1231 C C . GLY A 185 ? 1.4214 1.3892 1.5147 0.5550 -0.1711 -0.2233 212 GLY A C 1232 O O . GLY A 185 ? 1.4763 1.3673 1.4965 0.5691 -0.1814 -0.1988 212 GLY A O 1233 N N . TYR A 186 ? 1.3262 1.3148 1.4452 0.5104 -0.1398 -0.2198 213 TYR A N 1234 C CA . TYR A 186 ? 1.2857 1.2169 1.3556 0.4759 -0.1192 -0.1875 213 TYR A CA 1235 C C . TYR A 186 ? 1.2760 1.2050 1.3560 0.4575 -0.0922 -0.1927 213 TYR A C 1236 O O . TYR A 186 ? 1.2356 1.2114 1.3618 0.4324 -0.0723 -0.2084 213 TYR A O 1237 C CB . TYR A 186 ? 1.2166 1.1648 1.2955 0.4395 -0.1111 -0.1745 213 TYR A CB 1238 C CG . TYR A 186 ? 1.1808 1.0898 1.2279 0.4016 -0.0888 -0.1499 213 TYR A CG 1239 C CD1 . TYR A 186 ? 1.2073 1.0476 1.1945 0.4020 -0.0876 -0.1275 213 TYR A CD1 1240 C CD2 . TYR A 186 ? 1.1370 1.0750 1.2111 0.3658 -0.0692 -0.1513 213 TYR A CD2 1241 C CE1 . TYR A 186 ? 1.1916 1.0032 1.1556 0.3687 -0.0698 -0.1098 213 TYR A CE1 1242 C CE2 . TYR A 186 ? 1.1326 1.0349 1.1763 0.3358 -0.0537 -0.1312 213 TYR A CE2 1243 C CZ . TYR A 186 ? 1.1575 1.0016 1.1507 0.3378 -0.0552 -0.1118 213 TYR A CZ 1244 O OH . TYR A 186 ? 1.1513 0.9675 1.1204 0.3093 -0.0424 -0.0965 213 TYR A OH 1245 N N . TYR A 187 ? 1.3236 1.1919 1.3541 0.4686 -0.0901 -0.1798 214 TYR A N 1246 C CA . TYR A 187 ? 1.3397 1.1932 1.3672 0.4513 -0.0652 -0.1811 214 TYR A CA 1247 C C . TYR A 187 ? 1.2938 1.0949 1.2728 0.4165 -0.0508 -0.1514 214 TYR A C 1248 O O . TYR A 187 ? 1.3314 1.0901 1.2664 0.4170 -0.0611 -0.1306 214 TYR A O 1249 C CB . TYR A 187 ? 1.4288 1.2489 1.4334 0.4878 -0.0723 -0.1891 214 TYR A CB 1250 C CG . TYR A 187 ? 1.4942 1.3578 1.5382 0.5331 -0.0954 -0.2190 214 TYR A CG 1251 C CD1 . TYR A 187 ? 1.5580 1.3994 1.5725 0.5703 -0.1273 -0.2151 214 TYR A CD1 1252 C CD2 . TYR A 187 ? 1.5223 1.4474 1.6312 0.5399 -0.0856 -0.2538 214 TYR A CD2 1253 C CE1 . TYR A 187 ? 1.6093 1.4911 1.6589 0.6168 -0.1535 -0.2452 214 TYR A CE1 1254 C CE2 . TYR A 187 ? 1.5544 1.5272 1.7069 0.5840 -0.1090 -0.2868 214 TYR A CE2 1255 C CZ . TYR A 187 ? 1.5999 1.5519 1.7230 0.6244 -0.1453 -0.2824 214 TYR A CZ 1256 O OH . TYR A 187 ? 1.6258 1.6263 1.7917 0.6723 -0.1732 -0.3175 214 TYR A OH 1257 N N . SER A 188 ? 1.2249 1.0287 1.2112 0.3864 -0.0270 -0.1519 215 SER A N 1258 C CA . SER A 188 ? 1.1783 0.9373 1.1227 0.3557 -0.0155 -0.1286 215 SER A CA 1259 C C . SER A 188 ? 1.1729 0.9145 1.1086 0.3411 0.0058 -0.1330 215 SER A C 1260 O O . SER A 188 ? 1.1649 0.9413 1.1358 0.3329 0.0201 -0.1513 215 SER A O 1261 C CB . SER A 188 ? 1.1207 0.9030 1.0790 0.3265 -0.0130 -0.1206 215 SER A CB 1262 O OG . SER A 188 ? 1.1075 0.8502 1.0281 0.3020 -0.0069 -0.1014 215 SER A OG 1263 N N . THR A 189 ? 1.1779 0.8636 1.0647 0.3357 0.0096 -0.1178 216 THR A N 1264 C CA . THR A 189 ? 1.1800 0.8399 1.0494 0.3236 0.0282 -0.1205 216 THR A CA 1265 C C . THR A 189 ? 1.1692 0.7975 1.0048 0.2918 0.0342 -0.1033 216 THR A C 1266 O O . THR A 189 ? 1.1852 0.7877 0.9938 0.2882 0.0253 -0.0889 216 THR A O 1267 C CB . THR A 189 ? 1.2253 0.8435 1.0643 0.3508 0.0264 -0.1221 216 THR A CB 1268 O OG1 . THR A 189 ? 1.2342 0.8841 1.1061 0.3861 0.0156 -0.1410 216 THR A OG1 1269 C CG2 . THR A 189 ? 1.2434 0.8334 1.0632 0.3382 0.0464 -0.1256 216 THR A CG2 1270 N N . THR A 190 ? 1.1588 0.7885 0.9949 0.2688 0.0494 -0.1072 217 THR A N 1271 C CA . THR A 190 ? 1.1540 0.7578 0.9602 0.2415 0.0514 -0.0948 217 THR A CA 1272 C C . THR A 190 ? 1.1921 0.7501 0.9606 0.2378 0.0608 -0.0931 217 THR A C 1273 O O . THR A 190 ? 1.2408 0.7920 1.0100 0.2462 0.0732 -0.1037 217 THR A O 1274 C CB . THR A 190 ? 1.1294 0.7512 0.9462 0.2197 0.0600 -0.0994 217 THR A CB 1275 O OG1 . THR A 190 ? 1.0887 0.7497 0.9372 0.2211 0.0522 -0.1007 217 THR A OG1 1276 C CG2 . THR A 190 ? 1.1427 0.7355 0.9251 0.1970 0.0574 -0.0890 217 THR A CG2 1277 N N . ILE A 191 ? 1.1994 0.7283 0.9376 0.2244 0.0560 -0.0822 218 ILE A N 1278 C CA . ILE A 191 ? 1.2314 0.7152 0.9314 0.2175 0.0648 -0.0814 218 ILE A CA 1279 C C . ILE A 191 ? 1.2390 0.7162 0.9240 0.1903 0.0628 -0.0786 218 ILE A C 1280 O O . ILE A 191 ? 1.2172 0.7064 0.9075 0.1810 0.0509 -0.0734 218 ILE A O 1281 C CB . ILE A 191 ? 1.2479 0.6988 0.9221 0.2279 0.0614 -0.0752 218 ILE A CB 1282 C CG1 . ILE A 191 ? 1.2572 0.7128 0.9421 0.2608 0.0569 -0.0780 218 ILE A CG1 1283 C CG2 . ILE A 191 ? 1.2915 0.6926 0.9238 0.2184 0.0738 -0.0762 218 ILE A CG2 1284 C CD1 . ILE A 191 ? 1.3065 0.7135 0.9508 0.2748 0.0550 -0.0720 218 ILE A CD1 1285 N N . ARG A 192 ? 1.2851 0.7429 0.9508 0.1792 0.0733 -0.0839 219 ARG A N 1286 C CA . ARG A 192 ? 1.3060 0.7584 0.9558 0.1576 0.0680 -0.0839 219 ARG A CA 1287 C C . ARG A 192 ? 1.3298 0.7491 0.9474 0.1444 0.0687 -0.0857 219 ARG A C 1288 O O . ARG A 192 ? 1.3635 0.7533 0.9611 0.1476 0.0818 -0.0885 219 ARG A O 1289 C CB . ARG A 192 ? 1.3399 0.7897 0.9839 0.1519 0.0786 -0.0899 219 ARG A CB 1290 C CG . ARG A 192 ? 1.3456 0.8304 1.0226 0.1591 0.0802 -0.0920 219 ARG A CG 1291 C CD . ARG A 192 ? 1.4099 0.8854 1.0734 0.1467 0.0937 -0.0992 219 ARG A CD 1292 N NE . ARG A 192 ? 1.4230 0.9269 1.1084 0.1448 0.0911 -0.0996 219 ARG A NE 1293 C CZ . ARG A 192 ? 1.4199 0.9591 1.1448 0.1543 0.0995 -0.1077 219 ARG A CZ 1294 N NH1 . ARG A 192 ? 1.4278 0.9885 1.1673 0.1486 0.0976 -0.1083 219 ARG A NH1 1295 N NH2 . ARG A 192 ? 1.4087 0.9625 1.1587 0.1704 0.1088 -0.1172 219 ARG A NH2 1296 N N . TYR A 193 ? 1.3186 0.7447 0.9332 0.1301 0.0543 -0.0862 220 TYR A N 1297 C CA . TYR A 193 ? 1.3374 0.7427 0.9301 0.1150 0.0527 -0.0926 220 TYR A CA 1298 C C . TYR A 193 ? 1.3448 0.7529 0.9260 0.1019 0.0377 -0.0989 220 TYR A C 1299 O O . TYR A 193 ? 1.3231 0.7552 0.9189 0.1038 0.0224 -0.0968 220 TYR A O 1300 C CB . TYR A 193 ? 1.3266 0.7432 0.9333 0.1114 0.0475 -0.0929 220 TYR A CB 1301 C CG . TYR A 193 ? 1.3195 0.7245 0.9272 0.1256 0.0583 -0.0864 220 TYR A CG 1302 C CD1 . TYR A 193 ? 1.2836 0.7139 0.9168 0.1419 0.0524 -0.0785 220 TYR A CD1 1303 C CD2 . TYR A 193 ? 1.3580 0.7221 0.9357 0.1232 0.0732 -0.0889 220 TYR A CD2 1304 C CE1 . TYR A 193 ? 1.2889 0.7040 0.9167 0.1582 0.0581 -0.0735 220 TYR A CE1 1305 C CE2 . TYR A 193 ? 1.3733 0.7158 0.9404 0.1394 0.0808 -0.0828 220 TYR A CE2 1306 C CZ . TYR A 193 ? 1.3385 0.7067 0.9302 0.1582 0.0716 -0.0752 220 TYR A CZ 1307 O OH . TYR A 193 ? 1.3529 0.6941 0.9270 0.1775 0.0757 -0.0700 220 TYR A OH 1308 N N . GLN A 194 ? 1.3927 0.7734 0.9441 0.0904 0.0409 -0.1072 221 GLN A N 1309 C CA . GLN A 194 ? 1.4166 0.7987 0.9545 0.0791 0.0215 -0.1173 221 GLN A CA 1310 C C . GLN A 194 ? 1.4050 0.8051 0.9603 0.0677 0.0136 -0.1290 221 GLN A C 1311 O O . GLN A 194 ? 1.4012 0.7921 0.9593 0.0633 0.0299 -0.1298 221 GLN A O 1312 C CB . GLN A 194 ? 1.4827 0.8268 0.9788 0.0712 0.0275 -0.1235 221 GLN A CB 1313 C CG . GLN A 194 ? 1.5157 0.8394 0.9852 0.0757 0.0287 -0.1184 221 GLN A CG 1314 C CD . GLN A 194 ? 1.5834 0.8645 1.0051 0.0659 0.0335 -0.1258 221 GLN A CD 1315 O OE1 . GLN A 194 ? 1.5980 0.8683 1.0102 0.0561 0.0358 -0.1349 221 GLN A OE1 1316 N NE2 . GLN A 194 ? 1.6309 0.8837 1.0186 0.0665 0.0371 -0.1232 221 GLN A NE2 1317 N N . ALA A 195 ? 1.3972 0.8197 0.9612 0.0630 -0.0104 -0.1404 222 ALA A N 1318 C CA . ALA A 195 ? 1.3979 0.8462 0.9863 0.0499 -0.0179 -0.1580 222 ALA A CA 1319 C C . ALA A 195 ? 1.4227 0.8839 1.0071 0.0445 -0.0443 -0.1781 222 ALA A C 1320 O O . ALA A 195 ? 1.4271 0.8897 1.0003 0.0567 -0.0662 -0.1753 222 ALA A O 1321 C CB . ALA A 195 ? 1.3693 0.8529 0.9966 0.0553 -0.0226 -0.1537 222 ALA A CB 1322 N N . THR A 196 ? 1.4372 0.9048 1.0272 0.0266 -0.0422 -0.2001 223 THR A N 1323 C CA . THR A 196 ? 1.4502 0.9434 1.0491 0.0220 -0.0707 -0.2264 223 THR A CA 1324 C C . THR A 196 ? 1.4330 0.9713 1.0806 0.0067 -0.0703 -0.2501 223 THR A C 1325 O O . THR A 196 ? 1.4196 0.9504 1.0752 -0.0080 -0.0415 -0.2492 223 THR A O 1326 C CB . THR A 196 ? 1.4937 0.9566 1.0553 0.0114 -0.0697 -0.2389 223 THR A CB 1327 O OG1 . THR A 196 ? 1.5242 0.9705 1.0833 -0.0092 -0.0384 -0.2445 223 THR A OG1 1328 C CG2 . THR A 196 ? 1.5154 0.9312 1.0268 0.0241 -0.0674 -0.2178 223 THR A CG2 1329 N N . GLY A 197 ? 1.4331 1.0147 1.1101 0.0112 -0.1018 -0.2728 224 GLY A N 1330 C CA . GLY A 197 ? 1.4246 1.0571 1.1551 -0.0038 -0.1027 -0.3017 224 GLY A CA 1331 C C . GLY A 197 ? 1.4108 1.0531 1.1668 -0.0053 -0.0825 -0.2869 224 GLY A C 1332 O O . GLY A 197 ? 1.4299 1.0780 1.2039 -0.0277 -0.0569 -0.2995 224 GLY A O 1333 N N . PHE A 198 ? 1.4031 1.0422 1.1551 0.0172 -0.0927 -0.2608 225 PHE A N 1334 C CA . PHE A 198 ? 1.3609 1.0056 1.1314 0.0197 -0.0766 -0.2434 225 PHE A CA 1335 C C . PHE A 198 ? 1.3663 1.0623 1.1895 0.0098 -0.0824 -0.2686 225 PHE A C 1336 O O . PHE A 198 ? 1.3577 1.0930 1.2078 0.0183 -0.1127 -0.2889 225 PHE A O 1337 C CB . PHE A 198 ? 1.3165 0.9512 1.0734 0.0450 -0.0890 -0.2149 225 PHE A CB 1338 C CG . PHE A 198 ? 1.2683 0.9097 1.0431 0.0493 -0.0753 -0.1973 225 PHE A CG 1339 C CD1 . PHE A 198 ? 1.2272 0.9080 1.0389 0.0554 -0.0905 -0.2031 225 PHE A CD1 1340 C CD2 . PHE A 198 ? 1.2610 0.8690 1.0148 0.0491 -0.0487 -0.1764 225 PHE A CD2 1341 C CE1 . PHE A 198 ? 1.1846 0.8698 1.0101 0.0585 -0.0780 -0.1875 225 PHE A CE1 1342 C CE2 . PHE A 198 ? 1.2297 0.8429 0.9971 0.0550 -0.0392 -0.1617 225 PHE A CE2 1343 C CZ . PHE A 198 ? 1.1933 0.8444 0.9956 0.0584 -0.0532 -0.1667 225 PHE A CZ 1344 N N . GLY A 199 ? 1.4032 1.0952 1.2375 -0.0069 -0.0534 -0.2685 226 GLY A N 1345 C CA . GLY A 199 ? 1.4254 1.1618 1.3083 -0.0204 -0.0512 -0.2930 226 GLY A CA 1346 C C . GLY A 199 ? 1.4741 1.2470 1.3891 -0.0433 -0.0539 -0.3377 226 GLY A C 1347 O O . GLY A 199 ? 1.4501 1.2784 1.4156 -0.0438 -0.0716 -0.3656 226 GLY A O 1348 N N . THR A 200 ? 1.5569 1.3006 1.4446 -0.0617 -0.0365 -0.3469 227 THR A N 1349 C CA . THR A 200 ? 1.6267 1.4016 1.5426 -0.0892 -0.0323 -0.3924 227 THR A CA 1350 C C . THR A 200 ? 1.7494 1.4742 1.6304 -0.1206 0.0126 -0.3946 227 THR A C 1351 O O . THR A 200 ? 1.7731 1.4392 1.6067 -0.1154 0.0347 -0.3602 227 THR A O 1352 C CB . THR A 200 ? 1.6219 1.4143 1.5357 -0.0774 -0.0671 -0.4087 227 THR A CB 1353 O OG1 . THR A 200 ? 1.6336 1.3661 1.4869 -0.0715 -0.0592 -0.3813 227 THR A OG1 1354 C CG2 . THR A 200 ? 1.5838 1.4119 1.5181 -0.0435 -0.1125 -0.4057 227 THR A CG2 1355 N N . ASN A 201 ? 1.8820 1.6296 1.7860 -0.1525 0.0258 -0.4375 228 ASN A N 1356 C CA . ASN A 201 ? 2.0179 1.7133 1.8841 -0.1867 0.0709 -0.4453 228 ASN A CA 1357 C C . ASN A 201 ? 2.0406 1.6717 1.8425 -0.1798 0.0781 -0.4198 228 ASN A C 1358 O O . ASN A 201 ? 2.1031 1.6686 1.8550 -0.1934 0.1149 -0.4051 228 ASN A O 1359 C CB . ASN A 201 ? 2.1420 1.8824 2.0520 -0.2256 0.0836 -0.5032 228 ASN A CB 1360 C CG . ASN A 201 ? 2.2632 2.0602 2.2081 -0.2174 0.0435 -0.5340 228 ASN A CG 1361 O OD1 . ASN A 201 ? 2.2689 2.0664 2.2002 -0.1822 0.0060 -0.5105 228 ASN A OD1 1362 N ND2 . ASN A 201 ? 2.4292 2.2721 2.4168 -0.2500 0.0513 -0.5889 228 ASN A ND2 1363 N N . GLU A 202 ? 1.9989 1.6440 1.7979 -0.1585 0.0440 -0.4157 229 GLU A N 1364 C CA . GLU A 202 ? 1.9941 1.5814 1.7345 -0.1504 0.0493 -0.3924 229 GLU A CA 1365 C C . GLU A 202 ? 1.9025 1.4715 1.6195 -0.1115 0.0267 -0.3502 229 GLU A C 1366 O O . GLU A 202 ? 1.8964 1.4743 1.6066 -0.0943 -0.0027 -0.3483 229 GLU A O 1367 C CB . GLU A 202 ? 2.0595 1.6647 1.8030 -0.1637 0.0352 -0.4250 229 GLU A CB 1368 C CG . GLU A 202 ? 2.1365 1.7340 1.8805 -0.2070 0.0698 -0.4620 229 GLU A CG 1369 C CD . GLU A 202 ? 2.1515 1.8279 1.9634 -0.2276 0.0549 -0.5169 229 GLU A CD 1370 O OE1 . GLU A 202 ? 2.1744 1.8681 2.0156 -0.2567 0.0830 -0.5422 229 GLU A OE1 1371 O OE2 . GLU A 202 ? 2.1495 1.8693 1.9840 -0.2145 0.0151 -0.5369 229 GLU A OE2 1372 N N . THR A 203 ? 1.8174 1.3581 1.5193 -0.0990 0.0421 -0.3186 230 THR A N 1373 C CA . THR A 203 ? 1.7519 1.2743 1.4334 -0.0662 0.0282 -0.2811 230 THR A CA 1374 C C . THR A 203 ? 1.7481 1.2062 1.3748 -0.0623 0.0506 -0.2591 230 THR A C 1375 O O . THR A 203 ? 1.7804 1.1974 1.3818 -0.0735 0.0814 -0.2545 230 THR A O 1376 C CB . THR A 203 ? 1.7156 1.2476 1.4147 -0.0527 0.0305 -0.2611 230 THR A CB 1377 O OG1 . THR A 203 ? 1.7045 1.2913 1.4544 -0.0618 0.0187 -0.2850 230 THR A OG1 1378 C CG2 . THR A 203 ? 1.6823 1.2136 1.3745 -0.0212 0.0104 -0.2315 230 THR A CG2 1379 N N . GLU A 204 ? 1.7116 1.1568 1.3164 -0.0458 0.0357 -0.2466 231 GLU A N 1380 C CA . GLU A 204 ? 1.7064 1.0955 1.2639 -0.0391 0.0551 -0.2273 231 GLU A CA 1381 C C . GLU A 204 ? 1.6202 1.0032 1.1738 -0.0103 0.0493 -0.1970 231 GLU A C 1382 O O . GLU A 204 ? 1.5855 0.9933 1.1514 0.0033 0.0251 -0.1923 231 GLU A O 1383 C CB . GLU A 204 ? 1.7664 1.1414 1.2988 -0.0457 0.0474 -0.2391 231 GLU A CB 1384 C CG . GLU A 204 ? 1.8184 1.2162 1.3648 -0.0725 0.0427 -0.2753 231 GLU A CG 1385 C CD . GLU A 204 ? 1.8822 1.2466 1.4102 -0.0998 0.0786 -0.2884 231 GLU A CD 1386 O OE1 . GLU A 204 ? 1.8984 1.2893 1.4552 -0.1223 0.0863 -0.3135 231 GLU A OE1 1387 O OE2 . GLU A 204 ? 1.9365 1.2453 1.4191 -0.0998 0.1009 -0.2755 231 GLU A OE2 1388 N N . TYR A 205 ? 1.5817 0.9297 1.1159 -0.0009 0.0714 -0.1789 232 TYR A N 1389 C CA . TYR A 205 ? 1.5338 0.8786 1.0684 0.0254 0.0692 -0.1548 232 TYR A CA 1390 C C . TYR A 205 ? 1.5568 0.8587 1.0558 0.0351 0.0846 -0.1451 232 TYR A C 1391 O O . TYR A 205 ? 1.6040 0.8666 1.0724 0.0247 0.1035 -0.1511 232 TYR A O 1392 C CB . TYR A 205 ? 1.5220 0.8661 1.0671 0.0340 0.0782 -0.1442 232 TYR A CB 1393 C CG . TYR A 205 ? 1.4824 0.8720 1.0663 0.0287 0.0632 -0.1506 232 TYR A CG 1394 C CD1 . TYR A 205 ? 1.4841 0.8755 1.0747 0.0078 0.0735 -0.1662 232 TYR A CD1 1395 C CD2 . TYR A 205 ? 1.4463 0.8744 1.0585 0.0430 0.0410 -0.1429 232 TYR A CD2 1396 C CE1 . TYR A 205 ? 1.4570 0.8925 1.0868 0.0026 0.0610 -0.1747 232 TYR A CE1 1397 C CE2 . TYR A 205 ? 1.4172 0.8862 1.0649 0.0397 0.0269 -0.1493 232 TYR A CE2 1398 C CZ . TYR A 205 ? 1.4266 0.9018 1.0856 0.0202 0.0364 -0.1655 232 TYR A CZ 1399 O OH . TYR A 205 ? 1.4229 0.9410 1.1205 0.0170 0.0235 -0.1741 232 TYR A OH 1400 N N . LEU A 206 ? 1.5353 0.8441 1.0385 0.0538 0.0784 -0.1322 233 LEU A N 1401 C CA . LEU A 206 ? 1.5510 0.8264 1.0289 0.0650 0.0939 -0.1251 233 LEU A CA 1402 C C . LEU A 206 ? 1.5224 0.8118 1.0201 0.0891 0.0950 -0.1114 233 LEU A C 1403 O O . LEU A 206 ? 1.5053 0.8271 1.0261 0.0942 0.0811 -0.1075 233 LEU A O 1404 C CB . LEU A 206 ? 1.5649 0.8333 1.0244 0.0582 0.0876 -0.1305 233 LEU A CB 1405 C CG . LEU A 206 ? 1.6000 0.8535 1.0362 0.0365 0.0842 -0.1467 233 LEU A CG 1406 C CD1 . LEU A 206 ? 1.6122 0.8562 1.0255 0.0349 0.0735 -0.1494 233 LEU A CD1 1407 C CD2 . LEU A 206 ? 1.6429 0.8537 1.0502 0.0280 0.1087 -0.1513 233 LEU A CD2 1408 N N . PHE A 207 ? 1.5270 0.7915 1.0145 0.1046 0.1107 -0.1061 234 PHE A N 1409 C CA . PHE A 207 ? 1.5090 0.7902 1.0184 0.1296 0.1115 -0.0984 234 PHE A CA 1410 C C . PHE A 207 ? 1.5272 0.8078 1.0348 0.1325 0.1188 -0.1016 234 PHE A C 1411 O O . PHE A 207 ? 1.5627 0.8099 1.0411 0.1256 0.1316 -0.1070 234 PHE A O 1412 C CB . PHE A 207 ? 1.5293 0.7812 1.0249 0.1495 0.1222 -0.0948 234 PHE A CB 1413 C CG . PHE A 207 ? 1.5127 0.7806 1.0304 0.1781 0.1231 -0.0929 234 PHE A CG 1414 C CD1 . PHE A 207 ? 1.4615 0.7769 1.0194 0.1873 0.1103 -0.0899 234 PHE A CD1 1415 C CD2 . PHE A 207 ? 1.5545 0.7919 1.0548 0.1964 0.1368 -0.0968 234 PHE A CD2 1416 C CE1 . PHE A 207 ? 1.4563 0.7931 1.0405 0.2124 0.1113 -0.0932 234 PHE A CE1 1417 C CE2 . PHE A 207 ? 1.5444 0.8044 1.0727 0.2243 0.1361 -0.1006 234 PHE A CE2 1418 C CZ . PHE A 207 ? 1.4915 0.8036 1.0637 0.2315 0.1234 -0.0999 234 PHE A CZ 1419 N N . GLU A 208 ? 1.5110 0.8257 1.0475 0.1406 0.1133 -0.0997 235 GLU A N 1420 C CA . GLU A 208 ? 1.5317 0.8454 1.0655 0.1385 0.1236 -0.1052 235 GLU A CA 1421 C C . GLU A 208 ? 1.5492 0.8675 1.1010 0.1595 0.1394 -0.1107 235 GLU A C 1422 O O . GLU A 208 ? 1.5255 0.8753 1.1116 0.1774 0.1343 -0.1099 235 GLU A O 1423 C CB . GLU A 208 ? 1.5101 0.8527 1.0596 0.1318 0.1120 -0.1032 235 GLU A CB 1424 C CG . GLU A 208 ? 1.5482 0.8824 1.0869 0.1252 0.1256 -0.1098 235 GLU A CG 1425 C CD . GLU A 208 ? 1.5500 0.8976 1.0884 0.1163 0.1142 -0.1071 235 GLU A CD 1426 O OE1 . GLU A 208 ? 1.5897 0.9141 1.0932 0.1030 0.1029 -0.1061 235 GLU A OE1 1427 O OE2 . GLU A 208 ? 1.5265 0.9056 1.0971 0.1236 0.1157 -0.1072 235 GLU A OE2 1428 N N . VAL A 209 ? 1.5962 0.8851 1.1264 0.1578 0.1577 -0.1185 236 VAL A N 1429 C CA . VAL A 209 ? 1.6154 0.9117 1.1660 0.1769 0.1742 -0.1292 236 VAL A CA 1430 C C . VAL A 209 ? 1.6132 0.9295 1.1789 0.1662 0.1857 -0.1389 236 VAL A C 1431 O O . VAL A 209 ? 1.5823 0.9367 1.1895 0.1788 0.1898 -0.1479 236 VAL A O 1432 C CB . VAL A 209 ? 1.6737 0.9251 1.1922 0.1804 0.1908 -0.1347 236 VAL A CB 1433 C CG1 . VAL A 209 ? 1.6936 0.9568 1.2379 0.2017 0.2075 -0.1499 236 VAL A CG1 1434 C CG2 . VAL A 209 ? 1.6909 0.9126 1.1856 0.1883 0.1835 -0.1262 236 VAL A CG2 1435 N N . ASP A 210 ? 1.6586 0.9449 1.1863 0.1421 0.1919 -0.1390 237 ASP A N 1436 C CA . ASP A 210 ? 1.6856 0.9748 1.2080 0.1256 0.2010 -0.1448 237 ASP A CA 1437 C C . ASP A 210 ? 1.7392 0.9960 1.2131 0.1045 0.1871 -0.1360 237 ASP A C 1438 O O . ASP A 210 ? 1.7442 0.9888 1.2019 0.1029 0.1711 -0.1286 237 ASP A O 1439 C CB . ASP A 210 ? 1.7094 0.9860 1.2302 0.1221 0.2323 -0.1625 237 ASP A CB 1440 C CG . ASP A 210 ? 1.7499 0.9763 1.2260 0.1143 0.2450 -0.1649 237 ASP A CG 1441 O OD1 . ASP A 210 ? 1.7638 0.9557 1.1951 0.1003 0.2331 -0.1554 237 ASP A OD1 1442 O OD2 . ASP A 210 ? 1.7601 0.9834 1.2479 0.1226 0.2674 -0.1790 237 ASP A OD2 1443 N N . ASN A 211 ? 1.8150 1.0553 1.2632 0.0888 0.1931 -0.1390 238 ASN A N 1444 C CA . ASN A 211 ? 1.8761 1.0842 1.2749 0.0742 0.1743 -0.1319 238 ASN A CA 1445 C C . ASN A 211 ? 1.8708 1.0345 1.2219 0.0646 0.1726 -0.1332 238 ASN A C 1446 O O . ASN A 211 ? 1.8610 1.0076 1.1799 0.0574 0.1498 -0.1294 238 ASN A O 1447 C CB . ASN A 211 ? 1.9715 1.1582 1.3401 0.0612 0.1823 -0.1348 238 ASN A CB 1448 C CG . ASN A 211 ? 2.0277 1.2537 1.4316 0.0672 0.1717 -0.1302 238 ASN A CG 1449 O OD1 . ASN A 211 ? 2.0033 1.2692 1.4467 0.0800 0.1514 -0.1226 238 ASN A OD1 1450 N ND2 . ASN A 211 ? 2.1779 1.3884 1.5635 0.0560 0.1876 -0.1357 238 ASN A ND2 1451 N N . LEU A 212 ? 1.8673 1.0142 1.2152 0.0656 0.1954 -0.1405 239 LEU A N 1452 C CA . LEU A 212 ? 1.8969 1.0023 1.2021 0.0562 0.1968 -0.1428 239 LEU A CA 1453 C C . LEU A 212 ? 1.8604 0.9724 1.1851 0.0665 0.1992 -0.1424 239 LEU A C 1454 O O . LEU A 212 ? 1.8899 0.9691 1.1804 0.0571 0.1999 -0.1450 239 LEU A O 1455 C CB . LEU A 212 ? 1.9579 1.0187 1.2226 0.0439 0.2250 -0.1529 239 LEU A CB 1456 C CG . LEU A 212 ? 1.9904 1.0246 1.2167 0.0301 0.2289 -0.1547 239 LEU A CG 1457 C CD1 . LEU A 212 ? 2.0471 1.0366 1.2366 0.0163 0.2642 -0.1671 239 LEU A CD1 1458 C CD2 . LEU A 212 ? 2.0157 1.0228 1.1928 0.0227 0.1971 -0.1478 239 LEU A CD2 1459 N N . THR A 213 ? 1.7958 0.9445 1.1690 0.0856 0.2003 -0.1399 240 THR A N 1460 C CA . THR A 213 ? 1.7757 0.9195 1.1575 0.0983 0.2039 -0.1389 240 THR A CA 1461 C C . THR A 213 ? 1.7300 0.9030 1.1379 0.1063 0.1826 -0.1298 240 THR A C 1462 O O . THR A 213 ? 1.6888 0.9001 1.1338 0.1178 0.1741 -0.1260 240 THR A O 1463 C CB . THR A 213 ? 1.7755 0.9263 1.1833 0.1190 0.2251 -0.1466 240 THR A CB 1464 O OG1 . THR A 213 ? 1.8100 0.9414 1.2015 0.1095 0.2479 -0.1580 240 THR A OG1 1465 C CG2 . THR A 213 ? 1.7987 0.9234 1.1948 0.1324 0.2310 -0.1462 240 THR A CG2 1466 N N . TYR A 214 ? 1.7391 0.8924 1.1264 0.0980 0.1763 -0.1284 241 TYR A N 1467 C CA . TYR A 214 ? 1.7086 0.8827 1.1137 0.0994 0.1597 -0.1227 241 TYR A CA 1468 C C . TYR A 214 ? 1.7546 0.8978 1.1419 0.1027 0.1697 -0.1230 241 TYR A C 1469 O O . TYR A 214 ? 1.7989 0.9026 1.1565 0.1020 0.1873 -0.1276 241 TYR A O 1470 C CB . TYR A 214 ? 1.6945 0.8795 1.0921 0.0792 0.1394 -0.1250 241 TYR A CB 1471 C CG . TYR A 214 ? 1.6702 0.8799 1.0797 0.0793 0.1263 -0.1225 241 TYR A CG 1472 C CD1 . TYR A 214 ? 1.7016 0.8879 1.0807 0.0712 0.1315 -0.1264 241 TYR A CD1 1473 C CD2 . TYR A 214 ? 1.6266 0.8761 1.0711 0.0870 0.1108 -0.1163 241 TYR A CD2 1474 C CE1 . TYR A 214 ? 1.7021 0.8992 1.0809 0.0704 0.1223 -0.1241 241 TYR A CE1 1475 C CE2 . TYR A 214 ? 1.6248 0.8902 1.0743 0.0868 0.1007 -0.1140 241 TYR A CE2 1476 C CZ . TYR A 214 ? 1.6560 0.8927 1.0703 0.0785 0.1069 -0.1179 241 TYR A CZ 1477 O OH . TYR A 214 ? 1.6473 0.8887 1.0562 0.0775 0.0993 -0.1156 241 TYR A OH 1478 N N . VAL A 215 ? 1.7422 0.8988 1.1433 0.1054 0.1602 -0.1184 242 VAL A N 1479 C CA . VAL A 215 ? 1.7777 0.8973 1.1536 0.1055 0.1707 -0.1187 242 VAL A CA 1480 C C . VAL A 215 ? 1.7688 0.9019 1.1493 0.0844 0.1600 -0.1221 242 VAL A C 1481 O O . VAL A 215 ? 1.7246 0.8996 1.1384 0.0864 0.1433 -0.1184 242 VAL A O 1482 C CB . VAL A 215 ? 1.7836 0.8970 1.1671 0.1362 0.1739 -0.1111 242 VAL A CB 1483 C CG1 . VAL A 215 ? 1.8372 0.8940 1.1773 0.1370 0.1874 -0.1109 242 VAL A CG1 1484 C CG2 . VAL A 215 ? 1.7860 0.9029 1.1809 0.1595 0.1816 -0.1128 242 VAL A CG2 1485 N N . GLN A 216 ? 1.8191 0.9179 1.1681 0.0633 0.1712 -0.1316 243 GLN A N 1486 C CA . GLN A 216 ? 1.8159 0.9282 1.1722 0.0404 0.1659 -0.1408 243 GLN A CA 1487 C C . GLN A 216 ? 1.7990 0.9057 1.1591 0.0522 0.1689 -0.1326 243 GLN A C 1488 O O . GLN A 216 ? 1.8304 0.8892 1.1576 0.0665 0.1847 -0.1264 243 GLN A O 1489 C CB . GLN A 216 ? 1.8868 0.9612 1.2076 0.0127 0.1823 -0.1568 243 GLN A CB 1490 C CG . GLN A 216 ? 1.9051 0.9968 1.2275 -0.0065 0.1718 -0.1709 243 GLN A CG 1491 C CD . GLN A 216 ? 1.9803 1.0419 1.2737 -0.0366 0.1874 -0.1909 243 GLN A CD 1492 O OE1 . GLN A 216 ? 2.0208 1.0874 1.3205 -0.0561 0.1931 -0.2037 243 GLN A OE1 1493 N NE2 . GLN A 216 ? 2.0127 1.0422 1.2739 -0.0428 0.1966 -0.1957 243 GLN A NE2 1494 N N . LEU A 217 ? 1.7793 0.9312 1.1755 0.0479 0.1529 -0.1329 244 LEU A N 1495 C CA . LEU A 217 ? 1.7763 0.9261 1.1774 0.0599 0.1533 -0.1242 244 LEU A CA 1496 C C . LEU A 217 ? 1.8264 0.9376 1.1969 0.0367 0.1720 -0.1347 244 LEU A C 1497 O O . LEU A 217 ? 1.8612 0.9722 1.2275 0.0069 0.1790 -0.1527 244 LEU A O 1498 C CB . LEU A 217 ? 1.6995 0.9120 1.1509 0.0640 0.1304 -0.1207 244 LEU A CB 1499 C CG . LEU A 217 ? 1.6869 0.9047 1.1484 0.0812 0.1267 -0.1094 244 LEU A CG 1500 C CD1 . LEU A 217 ? 1.6990 0.8992 1.1510 0.1151 0.1276 -0.0958 244 LEU A CD1 1501 C CD2 . LEU A 217 ? 1.6235 0.9028 1.1337 0.0789 0.1056 -0.1092 244 LEU A CD2 1502 N N . GLU A 218 ? 1.8603 0.9359 1.2063 0.0502 0.1807 -0.1253 245 GLU A N 1503 C CA . GLU A 218 ? 1.9209 0.9532 1.2322 0.0278 0.2012 -0.1343 245 GLU A CA 1504 C C . GLU A 218 ? 1.9013 0.9354 1.2165 0.0431 0.1949 -0.1231 245 GLU A C 1505 O O . GLU A 218 ? 1.8760 0.9312 1.2099 0.0757 0.1773 -0.1076 245 GLU A O 1506 C CB . GLU A 218 ? 2.0189 0.9644 1.2591 0.0272 0.2280 -0.1347 245 GLU A CB 1507 C CG . GLU A 218 ? 2.0481 0.9862 1.2792 0.0070 0.2377 -0.1481 245 GLU A CG 1508 C CD . GLU A 218 ? 2.1700 1.0172 1.3266 0.0005 0.2680 -0.1512 245 GLU A CD 1509 O OE1 . GLU A 218 ? 2.2421 1.0329 1.3528 -0.0115 0.2887 -0.1543 245 GLU A OE1 1510 O OE2 . GLU A 218 ? 2.2042 1.0308 1.3430 0.0062 0.2730 -0.1512 245 GLU A OE2 1511 N N . SER A 219 ? 1.9178 0.9304 1.2158 0.0178 0.2106 -0.1336 246 SER A N 1512 C CA . SER A 219 ? 1.9041 0.9127 1.1998 0.0273 0.2073 -0.1249 246 SER A CA 1513 C C . SER A 219 ? 1.9523 0.8911 1.1892 0.0622 0.2105 -0.1064 246 SER A C 1514 O O . SER A 219 ? 1.9315 0.8839 1.1791 0.0871 0.1945 -0.0935 246 SER A O 1515 C CB . SER A 219 ? 1.9439 0.9366 1.2277 -0.0122 0.2296 -0.1441 246 SER A CB 1516 O OG . SER A 219 ? 1.8957 0.9675 1.2466 -0.0371 0.2187 -0.1630 246 SER A OG 1517 N N . ARG A 220 ? 2.0242 0.8875 1.1976 0.0653 0.2299 -0.1064 247 ARG A N 1518 C CA . ARG A 220 ? 2.0944 0.8805 1.2019 0.1019 0.2319 -0.0913 247 ARG A CA 1519 C C . ARG A 220 ? 2.0326 0.8507 1.1686 0.1499 0.2050 -0.0774 247 ARG A C 1520 O O . ARG A 220 ? 2.0972 0.8662 1.1905 0.1864 0.1987 -0.0669 247 ARG A O 1521 C CB . ARG A 220 ? 2.2172 0.9046 1.2412 0.0908 0.2623 -0.0969 247 ARG A CB 1522 C CG . ARG A 220 ? 2.2355 0.9304 1.2683 0.0893 0.2660 -0.1021 247 ARG A CG 1523 C CD . ARG A 220 ? 2.3516 0.9596 1.3106 0.0606 0.3015 -0.1140 247 ARG A CD 1524 N NE . ARG A 220 ? 2.3717 0.9894 1.3405 0.0546 0.3059 -0.1207 247 ARG A NE 1525 C CZ . ARG A 220 ? 2.4210 1.0102 1.3684 0.0890 0.3012 -0.1114 247 ARG A CZ 1526 N NH1 . ARG A 220 ? 2.4305 1.0294 1.3872 0.0774 0.3079 -0.1194 247 ARG A NH1 1527 N NH2 . ARG A 220 ? 2.4635 1.0164 1.3817 0.1360 0.2890 -0.0961 247 ARG A NH2 1528 N N . PHE A 221 ? 1.9226 0.8191 1.1268 0.1506 0.1896 -0.0796 248 PHE A N 1529 C CA . PHE A 221 ? 1.8709 0.8033 1.1082 0.1909 0.1684 -0.0713 248 PHE A CA 1530 C C . PHE A 221 ? 1.8177 0.7981 1.0942 0.2115 0.1455 -0.0635 248 PHE A C 1531 O O . PHE A 221 ? 1.7648 0.8025 1.0878 0.1911 0.1376 -0.0652 248 PHE A O 1532 C CB . PHE A 221 ? 1.8136 0.8066 1.1037 0.1819 0.1631 -0.0772 248 PHE A CB 1533 C CG . PHE A 221 ? 1.8550 0.8092 1.1128 0.1628 0.1829 -0.0857 248 PHE A CG 1534 C CD1 . PHE A 221 ? 1.9383 0.8053 1.1239 0.1661 0.2035 -0.0863 248 PHE A CD1 1535 C CD2 . PHE A 221 ? 1.8147 0.8155 1.1099 0.1427 0.1804 -0.0933 248 PHE A CD2 1536 C CE1 . PHE A 221 ? 1.9710 0.8044 1.1285 0.1468 0.2224 -0.0950 248 PHE A CE1 1537 C CE2 . PHE A 221 ? 1.8428 0.8102 1.1090 0.1248 0.1972 -0.1020 248 PHE A CE2 1538 C CZ . PHE A 221 ? 1.9245 0.8109 1.1247 0.1258 0.2188 -0.1032 248 PHE A CZ 1539 N N . THR A 222 ? 1.8348 0.7924 1.0926 0.2534 0.1336 -0.0565 249 THR A N 1540 C CA . THR A 222 ? 1.7864 0.7893 1.0807 0.2777 0.1102 -0.0510 249 THR A CA 1541 C C . THR A 222 ? 1.7204 0.8059 1.0890 0.2906 0.0949 -0.0549 249 THR A C 1542 O O . THR A 222 ? 1.7265 0.8176 1.1043 0.2897 0.1024 -0.0607 249 THR A O 1543 C CB . THR A 222 ? 1.8531 0.7949 1.0931 0.3209 0.1008 -0.0455 249 THR A CB 1544 O OG1 . THR A 222 ? 1.8869 0.8049 1.1119 0.3509 0.1006 -0.0497 249 THR A OG1 1545 C CG2 . THR A 222 ? 1.9335 0.7812 1.0878 0.3076 0.1183 -0.0411 249 THR A CG2 1546 N N . PRO A 223 ? 1.6574 0.8034 1.0756 0.3006 0.0760 -0.0529 250 PRO A N 1547 C CA . PRO A 223 ? 1.6036 0.8206 1.0861 0.3146 0.0642 -0.0590 250 PRO A CA 1548 C C . PRO A 223 ? 1.6562 0.8620 1.1356 0.3509 0.0622 -0.0668 250 PRO A C 1549 O O . PRO A 223 ? 1.6477 0.8865 1.1606 0.3473 0.0683 -0.0754 250 PRO A O 1550 C CB . PRO A 223 ? 1.5663 0.8272 1.0824 0.3255 0.0453 -0.0558 250 PRO A CB 1551 C CG . PRO A 223 ? 1.5680 0.8033 1.0567 0.2996 0.0502 -0.0481 250 PRO A CG 1552 C CD . PRO A 223 ? 1.6408 0.7935 1.0592 0.2919 0.0685 -0.0468 250 PRO A CD 1553 N N . GLN A 224 ? 1.7331 0.8879 1.1683 0.3858 0.0541 -0.0653 251 GLN A N 1554 C CA . GLN A 224 ? 1.7656 0.9122 1.2003 0.4281 0.0471 -0.0759 251 GLN A CA 1555 C C . GLN A 224 ? 1.7895 0.8922 1.1929 0.4210 0.0678 -0.0795 251 GLN A C 1556 O O . GLN A 224 ? 1.7986 0.9221 1.2282 0.4417 0.0684 -0.0922 251 GLN A O 1557 C CB . GLN A 224 ? 1.8585 0.9497 1.2413 0.4714 0.0297 -0.0733 251 GLN A CB 1558 C CG . GLN A 224 ? 1.8541 0.9869 1.2656 0.4880 0.0053 -0.0725 251 GLN A CG 1559 C CD . GLN A 224 ? 1.8678 0.9815 1.2540 0.4558 0.0095 -0.0578 251 GLN A CD 1560 O OE1 . GLN A 224 ? 1.9007 0.9646 1.2429 0.4229 0.0306 -0.0498 251 GLN A OE1 1561 N NE2 . GLN A 224 ? 1.8483 1.0052 1.2657 0.4640 -0.0093 -0.0569 251 GLN A NE2 1562 N N . PHE A 225 ? 1.8011 0.8441 1.1498 0.3906 0.0862 -0.0708 252 PHE A N 1563 C CA . PHE A 225 ? 1.8254 0.8269 1.1432 0.3768 0.1078 -0.0744 252 PHE A CA 1564 C C . PHE A 225 ? 1.7609 0.8260 1.1363 0.3505 0.1154 -0.0816 252 PHE A C 1565 O O . PHE A 225 ? 1.7861 0.8429 1.1610 0.3558 0.1263 -0.0897 252 PHE A O 1566 C CB . PHE A 225 ? 1.8706 0.7992 1.1208 0.3448 0.1272 -0.0671 252 PHE A CB 1567 C CG . PHE A 225 ? 1.8976 0.7881 1.1187 0.3245 0.1502 -0.0721 252 PHE A CG 1568 C CD1 . PHE A 225 ? 1.9723 0.7982 1.1435 0.3525 0.1580 -0.0750 252 PHE A CD1 1569 C CD2 . PHE A 225 ? 1.8531 0.7722 1.0960 0.2796 0.1623 -0.0754 252 PHE A CD2 1570 C CE1 . PHE A 225 ? 2.0046 0.7940 1.1477 0.3329 0.1803 -0.0800 252 PHE A CE1 1571 C CE2 . PHE A 225 ? 1.8889 0.7736 1.1042 0.2606 0.1822 -0.0813 252 PHE A CE2 1572 C CZ . PHE A 225 ? 1.9660 0.7856 1.1315 0.2857 0.1927 -0.0831 252 PHE A CZ 1573 N N . LEU A 226 ? 1.6926 0.8143 1.1113 0.3228 0.1101 -0.0788 253 LEU A N 1574 C CA . LEU A 226 ? 1.6321 0.8061 1.0958 0.2985 0.1154 -0.0847 253 LEU A CA 1575 C C . LEU A 226 ? 1.6032 0.8263 1.1162 0.3226 0.1109 -0.0961 253 LEU A C 1576 O O . LEU A 226 ? 1.5937 0.8257 1.1180 0.3131 0.1236 -0.1045 253 LEU A O 1577 C CB . LEU A 226 ? 1.5690 0.7865 1.0619 0.2685 0.1078 -0.0796 253 LEU A CB 1578 C CG . LEU A 226 ? 1.5784 0.7629 1.0369 0.2370 0.1149 -0.0751 253 LEU A CG 1579 C CD1 . LEU A 226 ? 1.5195 0.7537 1.0144 0.2174 0.1028 -0.0723 253 LEU A CD1 1580 C CD2 . LEU A 226 ? 1.5993 0.7578 1.0343 0.2118 0.1310 -0.0811 253 LEU A CD2 1581 N N . LEU A 227 ? 1.5956 0.8497 1.1372 0.3523 0.0940 -0.0989 254 LEU A N 1582 C CA . LEU A 227 ? 1.5917 0.8982 1.1863 0.3763 0.0903 -0.1155 254 LEU A CA 1583 C C . LEU A 227 ? 1.6725 0.9468 1.2500 0.4066 0.0974 -0.1278 254 LEU A C 1584 O O . LEU A 227 ? 1.6667 0.9781 1.2847 0.4124 0.1057 -0.1452 254 LEU A O 1585 C CB . LEU A 227 ? 1.5626 0.9138 1.1941 0.4006 0.0682 -0.1185 254 LEU A CB 1586 C CG . LEU A 227 ? 1.5096 0.9018 1.1676 0.3749 0.0606 -0.1094 254 LEU A CG 1587 C CD1 . LEU A 227 ? 1.4891 0.9238 1.1826 0.4022 0.0395 -0.1152 254 LEU A CD1 1588 C CD2 . LEU A 227 ? 1.4652 0.8986 1.1581 0.3422 0.0736 -0.1141 254 LEU A CD2 1589 N N . GLN A 228 ? 1.7589 0.9615 1.2742 0.4252 0.0958 -0.1202 255 GLN A N 1590 C CA . GLN A 228 ? 1.8391 0.9973 1.3256 0.4529 0.1039 -0.1301 255 GLN A CA 1591 C C . GLN A 228 ? 1.8502 0.9815 1.3162 0.4213 0.1299 -0.1304 255 GLN A C 1592 O O . GLN A 228 ? 1.8756 1.0118 1.3559 0.4336 0.1408 -0.1453 255 GLN A O 1593 C CB . GLN A 228 ? 1.9378 1.0143 1.3512 0.4832 0.0948 -0.1211 255 GLN A CB 1594 C CG . GLN A 228 ? 1.9670 1.0624 1.3955 0.5294 0.0662 -0.1267 255 GLN A CG 1595 C CD . GLN A 228 ? 2.0747 1.0754 1.4162 0.5608 0.0567 -0.1169 255 GLN A CD 1596 O OE1 . GLN A 228 ? 2.1578 1.0965 1.4515 0.5864 0.0620 -0.1214 255 GLN A OE1 1597 N NE2 . GLN A 228 ? 2.0929 1.0762 1.4083 0.5595 0.0434 -0.1039 255 GLN A NE2 1598 N N . LEU A 229 ? 1.8476 0.9519 1.2812 0.3813 0.1395 -0.1166 256 LEU A N 1599 C CA . LEU A 229 ? 1.8717 0.9530 1.2850 0.3483 0.1613 -0.1175 256 LEU A CA 1600 C C . LEU A 229 ? 1.8376 0.9794 1.3053 0.3332 0.1681 -0.1288 256 LEU A C 1601 O O . LEU A 229 ? 1.8657 0.9932 1.3268 0.3289 0.1852 -0.1382 256 LEU A O 1602 C CB . LEU A 229 ? 1.8759 0.9325 1.2567 0.3086 0.1656 -0.1052 256 LEU A CB 1603 C CG . LEU A 229 ? 1.8997 0.9263 1.2511 0.2734 0.1847 -0.1069 256 LEU A CG 1604 C CD1 . LEU A 229 ? 1.9884 0.9408 1.2825 0.2865 0.2012 -0.1098 256 LEU A CD1 1605 C CD2 . LEU A 229 ? 1.8935 0.9156 1.2302 0.2372 0.1835 -0.1002 256 LEU A CD2 1606 N N . ASN A 230 ? 1.7943 0.9976 1.3103 0.3244 0.1565 -0.1282 257 ASN A N 1607 C CA . ASN A 230 ? 1.7704 1.0284 1.3352 0.3118 0.1635 -0.1401 257 ASN A CA 1608 C C . ASN A 230 ? 1.7767 1.0544 1.3731 0.3405 0.1720 -0.1613 257 ASN A C 1609 O O . ASN A 230 ? 1.7666 1.0429 1.3663 0.3276 0.1920 -0.1727 257 ASN A O 1610 C CB . ASN A 230 ? 1.7307 1.0451 1.3377 0.3053 0.1480 -0.1364 257 ASN A CB 1611 C CG . ASN A 230 ? 1.7288 1.0923 1.3791 0.2907 0.1577 -0.1493 257 ASN A CG 1612 O OD1 . ASN A 230 ? 1.6936 1.0469 1.3280 0.2602 0.1689 -0.1472 257 ASN A OD1 1613 N ND2 . ASN A 230 ? 1.7761 1.1901 1.4778 0.3121 0.1538 -0.1645 257 ASN A ND2 1614 N N . GLU A 231 ? 1.7852 1.0810 1.4038 0.3798 0.1561 -0.1682 258 GLU A N 1615 C CA . GLU A 231 ? 1.8082 1.1267 1.4614 0.4162 0.1584 -0.1926 258 GLU A CA 1616 C C . GLU A 231 ? 1.8515 1.1174 1.4678 0.4210 0.1778 -0.1988 258 GLU A C 1617 O O . GLU A 231 ? 1.8420 1.1321 1.4900 0.4216 0.1952 -0.2200 258 GLU A O 1618 C CB . GLU A 231 ? 1.8475 1.1721 1.5078 0.4627 0.1311 -0.1950 258 GLU A CB 1619 C CG . GLU A 231 ? 1.9232 1.2413 1.5915 0.5131 0.1252 -0.2164 258 GLU A CG 1620 C CD . GLU A 231 ? 1.9044 1.3062 1.6572 0.5289 0.1268 -0.2499 258 GLU A CD 1621 O OE1 . GLU A 231 ? 1.9416 1.3482 1.7119 0.5355 0.1451 -0.2713 258 GLU A OE1 1622 O OE2 . GLU A 231 ? 1.8613 1.3244 1.6639 0.5337 0.1112 -0.2573 258 GLU A OE2 1623 N N . THR A 232 ? 1.8924 1.0846 1.4405 0.4220 0.1772 -0.1817 259 THR A N 1624 C CA . THR A 232 ? 1.9377 1.0685 1.4396 0.4255 0.1958 -0.1849 259 THR A CA 1625 C C . THR A 232 ? 1.9226 1.0517 1.4206 0.3827 0.2209 -0.1870 259 THR A C 1626 O O . THR A 232 ? 1.9532 1.0632 1.4446 0.3871 0.2396 -0.2003 259 THR A O 1627 C CB . THR A 232 ? 1.9880 1.0345 1.4105 0.4292 0.1923 -0.1658 259 THR A CB 1628 O OG1 . THR A 232 ? 2.0040 1.0408 1.4185 0.4706 0.1688 -0.1636 259 THR A OG1 1629 C CG2 . THR A 232 ? 2.0577 1.0358 1.4285 0.4346 0.2121 -0.1699 259 THR A CG2 1630 N N . ILE A 233 ? 1.8842 1.0304 1.3836 0.3434 0.2202 -0.1748 260 ILE A N 1631 C CA . ILE A 233 ? 1.8793 1.0216 1.3694 0.3039 0.2394 -0.1764 260 ILE A CA 1632 C C . ILE A 233 ? 1.8508 1.0417 1.3913 0.3027 0.2539 -0.1978 260 ILE A C 1633 O O . ILE A 233 ? 1.8604 1.0307 1.3872 0.2899 0.2767 -0.2083 260 ILE A O 1634 C CB . ILE A 233 ? 1.8501 0.9964 1.3259 0.2674 0.2300 -0.1596 260 ILE A CB 1635 C CG1 . ILE A 233 ? 1.8883 0.9764 1.3070 0.2577 0.2275 -0.1457 260 ILE A CG1 1636 C CG2 . ILE A 233 ? 1.8407 0.9925 1.3128 0.2324 0.2436 -0.1637 260 ILE A CG2 1637 C CD1 . ILE A 233 ? 1.8665 0.9658 1.2804 0.2313 0.2133 -0.1327 260 ILE A CD1 1638 N N . TYR A 234 ? 1.8040 1.0571 1.4006 0.3133 0.2432 -0.2057 261 TYR A N 1639 C CA . TYR A 234 ? 1.7883 1.0908 1.4363 0.3088 0.2603 -0.2301 261 TYR A CA 1640 C C . TYR A 234 ? 1.8374 1.1436 1.5081 0.3383 0.2749 -0.2560 261 TYR A C 1641 O O . TYR A 234 ? 1.8661 1.1726 1.5437 0.3220 0.3021 -0.2735 261 TYR A O 1642 C CB . TYR A 234 ? 1.7219 1.0911 1.4265 0.3147 0.2461 -0.2358 261 TYR A CB 1643 C CG . TYR A 234 ? 1.6800 1.0615 1.3802 0.2763 0.2475 -0.2249 261 TYR A CG 1644 C CD1 . TYR A 234 ? 1.6657 1.0350 1.3406 0.2654 0.2262 -0.1999 261 TYR A CD1 1645 C CD2 . TYR A 234 ? 1.6697 1.0725 1.3891 0.2515 0.2709 -0.2417 261 TYR A CD2 1646 C CE1 . TYR A 234 ? 1.6345 1.0139 1.3044 0.2348 0.2248 -0.1912 261 TYR A CE1 1647 C CE2 . TYR A 234 ? 1.6470 1.0513 1.3527 0.2193 0.2710 -0.2315 261 TYR A CE2 1648 C CZ . TYR A 234 ? 1.6239 1.0177 1.3059 0.2132 0.2461 -0.2060 261 TYR A CZ 1649 O OH . TYR A 234 ? 1.5988 0.9920 1.2655 0.1859 0.2434 -0.1968 261 TYR A OH 1650 N N . THR A 235 ? 1.8667 1.1721 1.5456 0.3825 0.2567 -0.2595 262 THR A N 1651 C CA . THR A 235 ? 1.9070 1.2194 1.6113 0.4194 0.2646 -0.2866 262 THR A CA 1652 C C . THR A 235 ? 1.9672 1.2105 1.6165 0.4158 0.2846 -0.2846 262 THR A C 1653 O O . THR A 235 ? 1.9880 1.2411 1.6604 0.4215 0.3065 -0.3099 262 THR A O 1654 C CB . THR A 235 ? 1.9194 1.2431 1.6392 0.4735 0.2341 -0.2909 262 THR A CB 1655 O OG1 . THR A 235 ? 1.9503 1.2072 1.6004 0.4782 0.2172 -0.2602 262 THR A OG1 1656 C CG2 . THR A 235 ? 1.8566 1.2605 1.6445 0.4817 0.2167 -0.3028 262 THR A CG2 1657 N N . SER A 236 ? 2.0044 1.1792 1.5827 0.4046 0.2792 -0.2570 263 SER A N 1658 C CA . SER A 236 ? 2.0744 1.1789 1.5941 0.3950 0.2994 -0.2535 263 SER A CA 1659 C C . SER A 236 ? 2.0734 1.1717 1.5818 0.3478 0.3265 -0.2558 263 SER A C 1660 O O . SER A 236 ? 2.1265 1.1760 1.5965 0.3397 0.3470 -0.2595 263 SER A O 1661 C CB . SER A 236 ? 2.1158 1.1490 1.5624 0.3922 0.2884 -0.2266 263 SER A CB 1662 O OG . SER A 236 ? 2.1377 1.1622 1.5795 0.4341 0.2642 -0.2223 263 SER A OG 1663 N N . GLY A 237 ? 2.0419 1.1820 1.5760 0.3175 0.3260 -0.2533 264 GLY A N 1664 C CA . GLY A 237 ? 2.0599 1.1902 1.5775 0.2750 0.3494 -0.2564 264 GLY A CA 1665 C C . GLY A 237 ? 2.0917 1.1641 1.5407 0.2436 0.3470 -0.2333 264 GLY A C 1666 O O . GLY A 237 ? 2.1508 1.1803 1.5601 0.2230 0.3674 -0.2365 264 GLY A O 1667 N N . LYS A 238 ? 2.0649 1.1383 1.5019 0.2395 0.3224 -0.2126 265 LYS A N 1668 C CA . LYS A 238 ? 2.0706 1.0989 1.4513 0.2109 0.3167 -0.1947 265 LYS A CA 1669 C C . LYS A 238 ? 2.0142 1.0675 1.3982 0.1812 0.3043 -0.1855 265 LYS A C 1670 O O . LYS A 238 ? 1.9917 1.0298 1.3486 0.1648 0.2892 -0.1717 265 LYS A O 1671 C CB . LYS A 238 ? 2.0860 1.0860 1.4426 0.2279 0.3014 -0.1813 265 LYS A CB 1672 C CG . LYS A 238 ? 2.1423 1.1097 1.4877 0.2639 0.3092 -0.1888 265 LYS A CG 1673 C CD . LYS A 238 ? 2.2013 1.1231 1.5132 0.2559 0.3355 -0.1994 265 LYS A CD 1674 C CE . LYS A 238 ? 2.2519 1.1334 1.5454 0.2944 0.3416 -0.2063 265 LYS A CE 1675 N NZ . LYS A 238 ? 2.2979 1.1325 1.5567 0.2851 0.3684 -0.2164 265 LYS A NZ 1676 N N . ARG A 239 ? 1.9879 1.0770 1.4033 0.1740 0.3120 -0.1956 266 ARG A N 1677 C CA . ARG A 239 ? 1.9741 1.0779 1.3845 0.1479 0.3019 -0.1882 266 ARG A CA 1678 C C . ARG A 239 ? 2.0241 1.0808 1.3794 0.1174 0.3139 -0.1889 266 ARG A C 1679 O O . ARG A 239 ? 2.0819 1.1032 1.4129 0.1150 0.3354 -0.1983 266 ARG A O 1680 C CB . ARG A 239 ? 1.9449 1.0977 1.4034 0.1508 0.3085 -0.2000 266 ARG A CB 1681 C CG . ARG A 239 ? 1.9038 1.1089 1.4199 0.1815 0.2941 -0.2021 266 ARG A CG 1682 C CD . ARG A 239 ? 1.8863 1.1403 1.4539 0.1836 0.3082 -0.2222 266 ARG A CD 1683 N NE . ARG A 239 ? 1.8757 1.1348 1.4325 0.1547 0.3086 -0.2178 266 ARG A NE 1684 C CZ . ARG A 239 ? 1.8717 1.1581 1.4555 0.1433 0.3272 -0.2351 266 ARG A CZ 1685 N NH1 . ARG A 239 ? 1.8775 1.1995 1.5115 0.1573 0.3476 -0.2619 266 ARG A NH1 1686 N NH2 . ARG A 239 ? 1.8672 1.1437 1.4263 0.1177 0.3261 -0.2279 266 ARG A NH2 1687 N N . SER A 240 ? 2.0212 1.0753 1.3544 0.0960 0.2984 -0.1798 267 SER A N 1688 C CA . SER A 240 ? 2.0863 1.0943 1.3618 0.0689 0.3044 -0.1809 267 SER A CA 1689 C C . SER A 240 ? 2.1595 1.1556 1.4286 0.0590 0.3338 -0.1958 267 SER A C 1690 O O . SER A 240 ? 2.1336 1.1565 1.4258 0.0567 0.3369 -0.1996 267 SER A O 1691 C CB . SER A 240 ? 2.0630 1.0740 1.3188 0.0546 0.2763 -0.1699 267 SER A CB 1692 O OG . SER A 240 ? 2.1009 1.0644 1.2958 0.0321 0.2779 -0.1722 267 SER A OG 1693 N N . ASN A 241 ? 2.2756 1.2294 1.5117 0.0511 0.3580 -0.2057 268 ASN A N 1694 C CA . ASN A 241 ? 2.3608 1.2914 1.5791 0.0356 0.3910 -0.2221 268 ASN A CA 1695 C C . ASN A 241 ? 2.3689 1.2352 1.5065 0.0071 0.3918 -0.2187 268 ASN A C 1696 O O . ASN A 241 ? 2.4285 1.2498 1.5278 -0.0056 0.4178 -0.2294 268 ASN A O 1697 C CB . ASN A 241 ? 2.4579 1.3908 1.7031 0.0494 0.4215 -0.2405 268 ASN A CB 1698 C CG . ASN A 241 ? 2.6001 1.5013 1.8216 0.0582 0.4186 -0.2354 268 ASN A CG 1699 O OD1 . ASN A 241 ? 2.6207 1.4830 1.7901 0.0427 0.4048 -0.2238 268 ASN A OD1 1700 N ND2 . ASN A 241 ? 2.7723 1.6894 2.0314 0.0843 0.4312 -0.2463 268 ASN A ND2 1701 N N . THR A 242 ? 2.3177 1.1797 1.4293 -0.0005 0.3609 -0.2048 269 THR A N 1702 C CA . THR A 242 ? 2.3413 1.1457 1.3753 -0.0229 0.3530 -0.2018 269 THR A CA 1703 C C . THR A 242 ? 2.2990 1.1207 1.3323 -0.0229 0.3258 -0.1919 269 THR A C 1704 O O . THR A 242 ? 2.2294 1.1070 1.3233 -0.0083 0.3177 -0.1880 269 THR A O 1705 C CB . THR A 242 ? 2.3624 1.1373 1.3572 -0.0276 0.3332 -0.1967 269 THR A CB 1706 O OG1 . THR A 242 ? 2.3221 1.1425 1.3601 -0.0132 0.3046 -0.1872 269 THR A OG1 1707 C CG2 . THR A 242 ? 2.3951 1.1400 1.3768 -0.0305 0.3620 -0.2066 269 THR A CG2 1708 N N . THR A 243 ? 2.3349 1.1063 1.2972 -0.0372 0.3105 -0.1883 270 THR A N 1709 C CA . THR A 243 ? 2.3073 1.0880 1.2600 -0.0341 0.2786 -0.1785 270 THR A CA 1710 C C . THR A 243 ? 2.2448 1.0670 1.2289 -0.0211 0.2377 -0.1694 270 THR A C 1711 O O . THR A 243 ? 2.1796 1.0277 1.1783 -0.0135 0.2109 -0.1621 270 THR A O 1712 C CB . THR A 243 ? 2.3890 1.0935 1.2454 -0.0494 0.2714 -0.1789 270 THR A CB 1713 O OG1 . THR A 243 ? 2.4381 1.0863 1.2474 -0.0671 0.3121 -0.1900 270 THR A OG1 1714 C CG2 . THR A 243 ? 2.3907 1.0944 1.2348 -0.0470 0.2572 -0.1725 270 THR A CG2 1715 N N . GLY A 244 ? 2.2375 1.0629 1.2297 -0.0203 0.2356 -0.1718 271 GLY A N 1716 C CA . GLY A 244 ? 2.1921 1.0495 1.2074 -0.0142 0.2029 -0.1683 271 GLY A CA 1717 C C . GLY A 244 ? 2.1042 1.0247 1.1948 0.0014 0.1983 -0.1623 271 GLY A C 1718 O O . GLY A 244 ? 2.0587 1.0008 1.1893 0.0112 0.2213 -0.1617 271 GLY A O 1719 N N . LYS A 245 ? 2.0665 1.0156 1.1749 0.0038 0.1679 -0.1603 272 LYS A N 1720 C CA . LYS A 245 ? 1.9995 1.0019 1.1698 0.0163 0.1602 -0.1547 272 LYS A CA 1721 C C . LYS A 245 ? 1.9933 0.9918 1.1760 0.0169 0.1767 -0.1577 272 LYS A C 1722 O O . LYS A 245 ? 2.0454 1.0146 1.1949 0.0040 0.1773 -0.1654 272 LYS A O 1723 C CB . LYS A 245 ? 1.9834 1.0141 1.1640 0.0157 0.1236 -0.1551 272 LYS A CB 1724 C CG . LYS A 245 ? 1.9303 1.0140 1.1688 0.0286 0.1139 -0.1473 272 LYS A CG 1725 C CD . LYS A 245 ? 1.9155 1.0280 1.1661 0.0272 0.0794 -0.1512 272 LYS A CD 1726 C CE . LYS A 245 ? 1.8558 1.0180 1.1615 0.0387 0.0717 -0.1436 272 LYS A CE 1727 N NZ . LYS A 245 ? 1.8273 1.0225 1.1539 0.0359 0.0429 -0.1513 272 LYS A NZ 1728 N N . LEU A 246 ? 1.9521 0.9761 1.1778 0.0326 0.1892 -0.1524 273 LEU A N 1729 C CA . LEU A 246 ? 1.9564 0.9670 1.1866 0.0383 0.2065 -0.1539 273 LEU A CA 1730 C C . LEU A 246 ? 1.9199 0.9623 1.1865 0.0482 0.1951 -0.1482 273 LEU A C 1731 O O . LEU A 246 ? 1.8806 0.9577 1.1851 0.0639 0.1898 -0.1414 273 LEU A O 1732 C CB . LEU A 246 ? 1.9635 0.9641 1.2027 0.0530 0.2342 -0.1556 273 LEU A CB 1733 C CG . LEU A 246 ? 1.9838 0.9662 1.2258 0.0673 0.2521 -0.1570 273 LEU A CG 1734 C CD1 . LEU A 246 ? 2.0280 0.9638 1.2238 0.0503 0.2594 -0.1622 273 LEU A CD1 1735 C CD2 . LEU A 246 ? 1.9929 0.9742 1.2504 0.0842 0.2757 -0.1634 273 LEU A CD2 1736 N N . ILE A 247 ? 1.9389 0.9663 1.1911 0.0372 0.1936 -0.1525 274 ILE A N 1737 C CA . ILE A 247 ? 1.9198 0.9674 1.1962 0.0408 0.1860 -0.1494 274 ILE A CA 1738 C C . ILE A 247 ? 1.9764 0.9839 1.2322 0.0461 0.2083 -0.1499 274 ILE A C 1739 O O . ILE A 247 ? 2.0189 0.9903 1.2399 0.0286 0.2190 -0.1587 274 ILE A O 1740 C CB . ILE A 247 ? 1.9059 0.9721 1.1838 0.0194 0.1651 -0.1586 274 ILE A CB 1741 C CG1 . ILE A 247 ? 1.8852 0.9858 1.1786 0.0200 0.1398 -0.1574 274 ILE A CG1 1742 C CG2 . ILE A 247 ? 1.8848 0.9657 1.1835 0.0182 0.1638 -0.1586 274 ILE A CG2 1743 C CD1 . ILE A 247 ? 1.8860 1.0063 1.1802 0.0031 0.1149 -0.1708 274 ILE A CD1 1744 N N . TRP A 248 ? 1.9887 0.9998 1.2625 0.0711 0.2143 -0.1414 275 TRP A N 1745 C CA . TRP A 248 ? 2.0479 1.0144 1.2960 0.0826 0.2321 -0.1403 275 TRP A CA 1746 C C . TRP A 248 ? 2.0775 1.0383 1.3199 0.0724 0.2281 -0.1397 275 TRP A C 1747 O O . TRP A 248 ? 2.0237 1.0225 1.2981 0.0775 0.2125 -0.1343 275 TRP A O 1748 C CB . TRP A 248 ? 2.0420 1.0132 1.3092 0.1186 0.2362 -0.1340 275 TRP A CB 1749 C CG . TRP A 248 ? 2.0522 1.0246 1.3253 0.1284 0.2474 -0.1393 275 TRP A CG 1750 C CD1 . TRP A 248 ? 2.0177 1.0335 1.3284 0.1356 0.2421 -0.1405 275 TRP A CD1 1751 C CD2 . TRP A 248 ? 2.1077 1.0333 1.3466 0.1299 0.2692 -0.1464 275 TRP A CD2 1752 N NE1 . TRP A 248 ? 2.0530 1.0532 1.3566 0.1399 0.2609 -0.1494 275 TRP A NE1 1753 C CE2 . TRP A 248 ? 2.1002 1.0464 1.3612 0.1377 0.2767 -0.1527 275 TRP A CE2 1754 C CE3 . TRP A 248 ? 2.1741 1.0397 1.3639 0.1237 0.2855 -0.1493 275 TRP A CE3 1755 C CZ2 . TRP A 248 ? 2.1526 1.0644 1.3915 0.1405 0.2992 -0.1621 275 TRP A CZ2 1756 C CZ3 . TRP A 248 ? 2.2226 1.0522 1.3882 0.1280 0.3062 -0.1569 275 TRP A CZ3 1757 C CH2 . TRP A 248 ? 2.2109 1.0653 1.4027 0.1368 0.3125 -0.1634 275 TRP A CH2 1758 N N . LYS A 249 ? 2.1832 1.0937 1.3827 0.0560 0.2450 -0.1468 276 LYS A N 1759 C CA . LYS A 249 ? 2.2395 1.1297 1.4234 0.0451 0.2502 -0.1485 276 LYS A CA 1760 C C . LYS A 249 ? 2.2926 1.1246 1.4392 0.0713 0.2663 -0.1401 276 LYS A C 1761 O O . LYS A 249 ? 2.3558 1.1511 1.4774 0.0879 0.2789 -0.1391 276 LYS A O 1762 C CB . LYS A 249 ? 2.3060 1.1757 1.4638 0.0065 0.2607 -0.1656 276 LYS A CB 1763 C CG . LYS A 249 ? 2.3638 1.2318 1.5202 -0.0135 0.2646 -0.1731 276 LYS A CG 1764 C CD . LYS A 249 ? 2.4203 1.2933 1.5716 -0.0550 0.2699 -0.1968 276 LYS A CD 1765 C CE . LYS A 249 ? 2.4368 1.3303 1.6060 -0.0763 0.2703 -0.2083 276 LYS A CE 1766 N NZ . LYS A 249 ? 2.4681 1.3780 1.6431 -0.1173 0.2745 -0.2378 276 LYS A NZ 1767 N N . VAL A 250 ? 2.3260 1.1477 1.4667 0.0768 0.2649 -0.1349 277 VAL A N 1768 C CA . VAL A 250 ? 2.4192 1.1740 1.5115 0.1023 0.2776 -0.1273 277 VAL A CA 1769 C C . VAL A 250 ? 2.5309 1.2196 1.5645 0.0716 0.3019 -0.1363 277 VAL A C 1770 O O . VAL A 250 ? 2.4994 1.2116 1.5470 0.0383 0.3023 -0.1459 277 VAL A O 1771 C CB . VAL A 250 ? 2.3908 1.1689 1.5060 0.1299 0.2601 -0.1157 277 VAL A CB 1772 C CG1 . VAL A 250 ? 2.4647 1.1679 1.5229 0.1634 0.2685 -0.1081 277 VAL A CG1 1773 C CG2 . VAL A 250 ? 2.3078 1.1610 1.4884 0.1516 0.2377 -0.1110 277 VAL A CG2 1774 N N . ASN A 251 ? 2.6866 1.2921 1.6544 0.0823 0.3235 -0.1355 278 ASN A N 1775 C CA . ASN A 251 ? 2.8147 1.3444 1.7159 0.0513 0.3524 -0.1454 278 ASN A CA 1776 C C . ASN A 251 ? 2.8743 1.3664 1.7439 0.0547 0.3564 -0.1398 278 ASN A C 1777 O O . ASN A 251 ? 2.8497 1.3430 1.7237 0.0946 0.3397 -0.1251 278 ASN A O 1778 C CB . ASN A 251 ? 2.9195 1.3635 1.7527 0.0634 0.3752 -0.1457 278 ASN A CB 1779 C CG . ASN A 251 ? 2.9185 1.3921 1.7762 0.0571 0.3748 -0.1524 278 ASN A CG 1780 O OD1 . ASN A 251 ? 2.8284 1.3834 1.7518 0.0548 0.3540 -0.1531 278 ASN A OD1 1781 N ND2 . ASN A 251 ? 3.0112 1.4118 1.8097 0.0543 0.3990 -0.1572 278 ASN A ND2 1782 N N . PRO A 252 ? 2.9532 1.4114 1.7900 0.0120 0.3795 -0.1537 279 PRO A N 1783 C CA . PRO A 252 ? 3.0100 1.4279 1.8122 0.0096 0.3874 -0.1503 279 PRO A CA 1784 C C . PRO A 252 ? 3.1263 1.4421 1.8445 0.0500 0.3948 -0.1341 279 PRO A C 1785 O O . PRO A 252 ? 3.1216 1.4173 1.8212 0.0640 0.3890 -0.1253 279 PRO A O 1786 C CB . PRO A 252 ? 3.0462 1.4346 1.8201 -0.0483 0.4197 -0.1742 279 PRO A CB 1787 C CG . PRO A 252 ? 2.9863 1.4430 1.8151 -0.0751 0.4141 -0.1907 279 PRO A CG 1788 C CD . PRO A 252 ? 2.9694 1.4270 1.8014 -0.0378 0.4003 -0.1764 279 PRO A CD 1789 N N . GLU A 253 ? 3.2317 1.4817 1.8973 0.0699 0.4063 -0.1312 280 GLU A N 1790 C CA . GLU A 253 ? 3.3453 1.4923 1.9255 0.1144 0.4104 -0.1178 280 GLU A CA 1791 C C . GLU A 253 ? 3.3127 1.4981 1.9281 0.1727 0.3736 -0.1015 280 GLU A C 1792 O O . GLU A 253 ? 3.3845 1.4962 1.9353 0.2065 0.3701 -0.0914 280 GLU A O 1793 C CB . GLU A 253 ? 3.4038 1.4816 1.9294 0.1246 0.4286 -0.1206 280 GLU A CB 1794 C CG . GLU A 253 ? 3.4784 1.4864 1.9415 0.0712 0.4700 -0.1369 280 GLU A CG 1795 C CD . GLU A 253 ? 3.5634 1.4913 1.9624 0.0833 0.4896 -0.1385 280 GLU A CD 1796 O OE1 . GLU A 253 ? 3.6740 1.4834 1.9703 0.0700 0.5226 -0.1422 280 GLU A OE1 1797 O OE2 . GLU A 253 ? 3.5134 1.4921 1.9608 0.1051 0.4742 -0.1369 280 GLU A OE2 1798 N N . ILE A 254 ? 3.2063 1.5030 1.9194 0.1835 0.3470 -0.1008 281 ILE A N 1799 C CA . ILE A 254 ? 3.1502 1.4991 1.9106 0.2335 0.3132 -0.0902 281 ILE A CA 1800 C C . ILE A 254 ? 3.1073 1.4834 1.8850 0.2283 0.3000 -0.0843 281 ILE A C 1801 O O . ILE A 254 ? 2.9999 1.4623 1.8489 0.2000 0.2913 -0.0879 281 ILE A O 1802 C CB . ILE A 254 ? 3.0540 1.5098 1.9102 0.2394 0.2946 -0.0938 281 ILE A CB 1803 C CG1 . ILE A 254 ? 3.0932 1.5193 1.9307 0.2483 0.3080 -0.1000 281 ILE A CG1 1804 C CG2 . ILE A 254 ? 2.9990 1.5170 1.9112 0.2839 0.2625 -0.0872 281 ILE A CG2 1805 C CD1 . ILE A 254 ? 3.0146 1.5275 1.9276 0.2313 0.3027 -0.1072 281 ILE A CD1 1806 N N . ASP A 255 ? 3.1879 1.4862 1.8961 0.2572 0.2978 -0.0756 282 ASP A N 1807 C CA . ASP A 255 ? 3.1662 1.4730 1.8751 0.2525 0.2884 -0.0697 282 ASP A CA 1808 C C . ASP A 255 ? 3.0458 1.4522 1.8405 0.2848 0.2507 -0.0636 282 ASP A C 1809 O O . ASP A 255 ? 3.0026 1.4674 1.8532 0.3127 0.2328 -0.0649 282 ASP A O 1810 C CB . ASP A 255 ? 3.2927 1.4683 1.8836 0.2715 0.3002 -0.0626 282 ASP A CB 1811 C CG . ASP A 255 ? 3.3440 1.4782 1.9002 0.3412 0.2748 -0.0538 282 ASP A CG 1812 O OD1 . ASP A 255 ? 3.3595 1.4919 1.9213 0.3654 0.2726 -0.0573 282 ASP A OD1 1813 O OD2 . ASP A 255 ? 3.3711 1.4740 1.8937 0.3724 0.2566 -0.0454 282 ASP A OD2 1814 N N . THR A 256 ? 2.9963 1.4212 1.8010 0.2772 0.2418 -0.0589 283 THR A N 1815 C CA . THR A 256 ? 2.8972 1.4100 1.7763 0.3042 0.2081 -0.0536 283 THR A CA 1816 C C . THR A 256 ? 2.9249 1.4051 1.7680 0.3067 0.2026 -0.0463 283 THR A C 1817 O O . THR A 256 ? 3.0292 1.4072 1.7795 0.3296 0.2069 -0.0406 283 THR A O 1818 C CB . THR A 256 ? 2.7512 1.3828 1.7346 0.2733 0.2009 -0.0595 283 THR A CB 1819 O OG1 . THR A 256 ? 2.7181 1.3759 1.7299 0.2704 0.2061 -0.0662 283 THR A OG1 1820 C CG2 . THR A 256 ? 2.6563 1.3723 1.7111 0.2991 0.1694 -0.0549 283 THR A CG2 1821 N N . GLU A 260 ? 3.2306 1.3299 1.7029 0.2203 0.2775 -0.0314 287 GLU A N 1822 C CA . GLU A 260 ? 3.1747 1.3217 1.6866 0.1883 0.2816 -0.0356 287 GLU A CA 1823 C C . GLU A 260 ? 3.1124 1.2690 1.6227 0.2353 0.2440 -0.0208 287 GLU A C 1824 O O . GLU A 260 ? 3.1801 1.2604 1.6152 0.2320 0.2529 -0.0169 287 GLU A O 1825 C CB . GLU A 260 ? 3.3094 1.3546 1.7321 0.1354 0.3315 -0.0475 287 GLU A CB 1826 C CG . GLU A 260 ? 3.3154 1.3753 1.7612 0.0798 0.3692 -0.0686 287 GLU A CG 1827 C CD . GLU A 260 ? 3.1738 1.3863 1.7605 0.0474 0.3606 -0.0828 287 GLU A CD 1828 O OE1 . GLU A 260 ? 3.1544 1.4108 1.7796 0.0220 0.3643 -0.0902 287 GLU A OE1 1829 O OE2 . GLU A 260 ? 3.0867 1.3713 1.7418 0.0487 0.3495 -0.0869 287 GLU A OE2 1830 N N . TRP A 261 ? 2.9589 1.2095 1.5520 0.2773 0.2034 -0.0146 288 TRP A N 1831 C CA . TRP A 261 ? 2.8969 1.1743 1.5042 0.3260 0.1630 -0.0041 288 TRP A CA 1832 C C . TRP A 261 ? 2.6808 1.1117 1.4266 0.3204 0.1393 -0.0069 288 TRP A C 1833 O O . TRP A 261 ? 2.5697 1.0829 1.3960 0.3145 0.1353 -0.0124 288 TRP A O 1834 C CB . TRP A 261 ? 2.9721 1.2069 1.5385 0.3914 0.1343 0.0021 288 TRP A CB 1835 C CG . TRP A 261 ? 3.1507 1.2211 1.5648 0.4136 0.1464 0.0080 288 TRP A CG 1836 C CD1 . TRP A 261 ? 3.2525 1.2189 1.5630 0.4161 0.1524 0.0146 288 TRP A CD1 1837 C CD2 . TRP A 261 ? 3.2427 1.2269 1.5841 0.4387 0.1535 0.0080 288 TRP A CD2 1838 N NE1 . TRP A 261 ? 3.4168 1.2319 1.5889 0.4410 0.1631 0.0191 288 TRP A NE1 1839 C CE2 . TRP A 261 ? 3.4216 1.2454 1.6108 0.4561 0.1636 0.0152 288 TRP A CE2 1840 C CE3 . TRP A 261 ? 3.2160 1.2377 1.6012 0.4478 0.1536 0.0023 288 TRP A CE3 1841 C CZ2 . TRP A 261 ? 3.5655 1.2636 1.6437 0.4840 0.1727 0.0173 288 TRP A CZ2 1842 C CZ3 . TRP A 261 ? 3.3579 1.2611 1.6394 0.4745 0.1632 0.0038 288 TRP A CZ3 1843 C CH2 . TRP A 261 ? 3.5249 1.2674 1.6540 0.4932 0.1722 0.0113 288 TRP A CH2 1844 N N . ALA A 262 ? 2.5851 1.0468 1.3510 0.3226 0.1245 -0.0029 289 ALA A N 1845 C CA . ALA A 262 ? 2.3957 0.9920 1.2818 0.3206 0.1012 -0.0046 289 ALA A CA 1846 C C . ALA A 262 ? 2.3127 0.9611 1.2416 0.3766 0.0615 -0.0017 289 ALA A C 1847 O O . ALA A 262 ? 2.3638 0.9418 1.2244 0.4223 0.0455 0.0022 289 ALA A O 1848 C CB . ALA A 262 ? 2.3867 0.9918 1.2744 0.3025 0.1016 -0.0026 289 ALA A CB 1849 N N . PHE A 263 ? 2.1521 0.9214 1.1920 0.3725 0.0463 -0.0061 290 PHE A N 1850 C CA . PHE A 263 ? 2.0729 0.9092 1.1715 0.4172 0.0140 -0.0092 290 PHE A CA 1851 C C . PHE A 263 ? 2.1184 0.9311 1.1851 0.4688 -0.0182 -0.0070 290 PHE A C 1852 O O . PHE A 263 ? 2.1566 0.9735 1.2266 0.5150 -0.0405 -0.0127 290 PHE A O 1853 C CB . PHE A 263 ? 1.9236 0.8854 1.1375 0.3971 0.0072 -0.0146 290 PHE A CB 1854 C CG . PHE A 263 ? 1.8571 0.8638 1.1051 0.3790 0.0009 -0.0116 290 PHE A CG 1855 C CD1 . PHE A 263 ? 1.8348 0.8747 1.1039 0.4111 -0.0275 -0.0112 290 PHE A CD1 1856 C CD2 . PHE A 263 ? 1.8156 0.8366 1.0796 0.3305 0.0227 -0.0118 290 PHE A CD2 1857 C CE1 . PHE A 263 ? 1.7826 0.8631 1.0827 0.3935 -0.0321 -0.0086 290 PHE A CE1 1858 C CE2 . PHE A 263 ? 1.7631 0.8257 1.0599 0.3150 0.0175 -0.0101 290 PHE A CE2 1859 C CZ . PHE A 263 ? 1.7430 0.8331 1.0558 0.3457 -0.0090 -0.0073 290 PHE A CZ 1860 N N . TRP A 264 ? 2.1201 0.9086 1.1561 0.4614 -0.0212 -0.0008 291 TRP A N 1861 C CA . TRP A 264 ? 2.1413 0.9124 1.1488 0.5078 -0.0544 0.0004 291 TRP A CA 1862 C C . TRP A 264 ? 2.3104 0.9516 1.1941 0.5490 -0.0623 0.0049 291 TRP A C 1863 O O . TRP A 264 ? 2.3379 0.9625 1.1944 0.5948 -0.0953 0.0039 291 TRP A O 1864 C CB . TRP A 264 ? 2.0815 0.8698 1.0967 0.4839 -0.0541 0.0055 291 TRP A CB 1865 C CG . TRP A 264 ? 2.1260 0.8106 1.0468 0.4506 -0.0234 0.0132 291 TRP A CG 1866 C CD1 . TRP A 264 ? 2.2354 0.7964 1.0354 0.4709 -0.0236 0.0198 291 TRP A CD1 1867 C CD2 . TRP A 264 ? 2.0705 0.7650 1.0089 0.3905 0.0129 0.0119 291 TRP A CD2 1868 N NE1 . TRP A 264 ? 2.2732 0.7644 1.0136 0.4230 0.0149 0.0225 291 TRP A NE1 1869 C CE2 . TRP A 264 ? 2.1682 0.7450 0.9973 0.3733 0.0374 0.0161 291 TRP A CE2 1870 C CE3 . TRP A 264 ? 1.9563 0.7462 0.9904 0.3505 0.0266 0.0056 291 TRP A CE3 1871 C CZ2 . TRP A 264 ? 2.1656 0.7263 0.9880 0.3152 0.0768 0.0109 291 TRP A CZ2 1872 C CZ3 . TRP A 264 ? 1.9496 0.7244 0.9767 0.2977 0.0606 0.0012 291 TRP A CZ3 1873 C CH2 . TRP A 264 ? 2.0522 0.7176 0.9788 0.2793 0.0864 0.0023 291 TRP A CH2 1874 N N . GLU A 265 ? 2.4392 0.9848 1.2433 0.5329 -0.0329 0.0087 292 GLU A N 1875 C CA . GLU A 265 ? 2.6408 1.0437 1.3101 0.5705 -0.0363 0.0138 292 GLU A CA 1876 C C . GLU A 265 ? 2.7166 1.0883 1.3655 0.6041 -0.0400 0.0086 292 GLU A C 1877 O O . GLU A 265 ? 2.8443 1.1044 1.3869 0.6468 -0.0508 0.0113 292 GLU A O 1878 C CB . GLU A 265 ? 2.7402 1.0208 1.2975 0.5295 0.0020 0.0224 292 GLU A CB 1879 C CG . GLU A 265 ? 2.7010 0.9969 1.2853 0.4605 0.0488 0.0191 292 GLU A CG 1880 C CD . GLU A 265 ? 2.7881 0.9808 1.2773 0.4169 0.0864 0.0220 292 GLU A CD 1881 O OE1 . GLU A 265 ? 2.7473 0.9760 1.2782 0.3577 0.1206 0.0149 292 GLU A OE1 1882 O OE2 . GLU A 265 ? 2.9099 0.9844 1.2816 0.4414 0.0824 0.0291 292 GLU A OE2 1883 N N . THR A 266 ? 2.6788 1.1443 1.4246 0.5867 -0.0320 0.0007 293 THR A N 1884 C CA . THR A 266 ? 2.7379 1.1989 1.4880 0.6201 -0.0385 -0.0070 293 THR A CA 1885 C C . THR A 266 ? 2.6782 1.2523 1.5295 0.6636 -0.0771 -0.0209 293 THR A C 1886 O O . THR A 266 ? 2.5621 1.2461 1.5108 0.6464 -0.0860 -0.0251 293 THR A O 1887 C CB . THR A 266 ? 2.6978 1.1845 1.4852 0.5717 -0.0024 -0.0092 293 THR A CB 1888 O OG1 . THR A 266 ? 2.5437 1.1447 1.4365 0.5266 0.0052 -0.0113 293 THR A OG1 1889 C CG2 . THR A 266 ? 2.8047 1.1666 1.4819 0.5367 0.0365 -0.0016 293 THR A CG2 1890 N N . SER A 276 ? 3.0261 1.8995 2.3099 0.6727 0.0968 -0.1783 303 SER A N 1891 C CA . SER A 276 ? 3.1142 1.9459 2.3750 0.6996 0.1083 -0.1925 303 SER A CA 1892 C C . SER A 276 ? 3.1188 1.9446 2.3790 0.6481 0.1449 -0.1899 303 SER A C 1893 O O . SER A 276 ? 3.0525 1.9029 2.3256 0.5944 0.1582 -0.1769 303 SER A O 1894 C CB . SER A 276 ? 3.2157 1.9259 2.3670 0.7385 0.0998 -0.1818 303 SER A CB 1895 O OG . SER A 276 ? 3.2355 1.8653 2.3049 0.6966 0.1178 -0.1554 303 SER A OG 1896 N N . GLU A 277 ? 3.1989 1.9926 2.4442 0.6672 0.1590 -0.2039 304 GLU A N 1897 C CA . GLU A 277 ? 3.2177 1.9938 2.4519 0.6238 0.1934 -0.2032 304 GLU A CA 1898 C C . GLU A 277 ? 3.3103 1.9655 2.4389 0.6265 0.2093 -0.1912 304 GLU A C 1899 O O . GLU A 277 ? 3.3066 1.9264 2.4167 0.6481 0.2218 -0.2041 304 GLU A O 1900 C CB . GLU A 277 ? 3.2045 2.0480 2.5140 0.6349 0.2038 -0.2323 304 GLU A CB 1901 C CG . GLU A 277 ? 3.1030 2.0610 2.5126 0.6199 0.1976 -0.2462 304 GLU A CG 1902 C CD . GLU A 277 ? 3.0783 2.0976 2.5580 0.6224 0.2155 -0.2777 304 GLU A CD 1903 O OE1 . GLU A 277 ? 3.1170 2.0960 2.5743 0.6422 0.2294 -0.2905 304 GLU A OE1 1904 O OE2 . GLU A 277 ? 2.9944 2.1000 2.5499 0.6028 0.2179 -0.2909 304 GLU A OE2 1905 N N . GLU A 278 ? 3.3387 1.9306 2.3983 0.6034 0.2105 -0.1681 305 GLU A N 1906 C CA . GLU A 278 ? 3.4112 1.8845 2.3645 0.5918 0.2312 -0.1557 305 GLU A CA 1907 C C . GLU A 278 ? 3.3490 1.8154 2.2890 0.5227 0.2605 -0.1466 305 GLU A C 1908 O O . GLU A 278 ? 3.4000 1.7896 2.2749 0.5071 0.2850 -0.1451 305 GLU A O 1909 C CB . GLU A 278 ? 3.4904 1.8856 2.3651 0.6119 0.2166 -0.1401 305 GLU A CB 1910 C CG . GLU A 278 ? 3.5553 1.9302 2.4169 0.6864 0.1857 -0.1490 305 GLU A CG 1911 C CD . GLU A 278 ? 3.6124 1.9250 2.4061 0.7036 0.1670 -0.1333 305 GLU A CD 1912 O OE1 . GLU A 278 ? 3.5307 1.9007 2.3647 0.6789 0.1568 -0.1252 305 GLU A OE1 1913 O OE2 . GLU A 278 ? 3.7360 1.9373 2.4312 0.7427 0.1627 -0.1294 305 GLU A OE2 1914 N N . LEU A 279 ? 3.2138 1.7588 2.2136 0.4833 0.2564 -0.1421 306 LEU A N 1915 C CA . LEU A 279 ? 3.1429 1.6925 2.1380 0.4210 0.2774 -0.1363 306 LEU A CA 1916 C C . LEU A 279 ? 3.0878 1.6631 2.1120 0.4039 0.2958 -0.1487 306 LEU A C 1917 O O . LEU A 279 ? 3.0347 1.6609 2.1138 0.4304 0.2908 -0.1626 306 LEU A O 1918 C CB . LEU A 279 ? 3.0577 1.6850 2.1094 0.3911 0.2633 -0.1295 306 LEU A CB 1919 C CG . LEU A 279 ? 3.0686 1.6823 2.1004 0.3993 0.2462 -0.1174 306 LEU A CG 1920 C CD1 . LEU A 279 ? 2.9601 1.6621 2.0602 0.3726 0.2324 -0.1138 306 LEU A CD1 1921 C CD2 . LEU A 279 ? 3.1530 1.6698 2.0942 0.3760 0.2644 -0.1085 306 LEU A CD2 1922 N N . SER A 280 ? 3.0852 1.6258 2.0725 0.3581 0.3179 -0.1460 307 SER A N 1923 C CA . SER A 280 ? 3.0812 1.6318 2.0805 0.3364 0.3375 -0.1565 307 SER A CA 1924 C C . SER A 280 ? 3.0332 1.6220 2.0512 0.2809 0.3414 -0.1537 307 SER A C 1925 O O . SER A 280 ? 3.0491 1.6070 2.0296 0.2495 0.3455 -0.1469 307 SER A O 1926 C CB . SER A 280 ? 3.1632 1.6179 2.0854 0.3405 0.3612 -0.1594 307 SER A CB 1927 O OG . SER A 280 ? 3.2090 1.5956 2.0622 0.3127 0.3715 -0.1498 307 SER A OG 1928 N N . PHE A 281 ? 2.9823 1.6352 2.0555 0.2697 0.3407 -0.1614 308 PHE A N 1929 C CA . PHE A 281 ? 2.9323 1.6262 2.0260 0.2247 0.3385 -0.1599 308 PHE A CA 1930 C C . PHE A 281 ? 2.9220 1.5900 1.9906 0.1983 0.3597 -0.1687 308 PHE A C 1931 O O . PHE A 281 ? 2.9446 1.6071 2.0200 0.2156 0.3730 -0.1788 308 PHE A O 1932 C CB . PHE A 281 ? 2.8860 1.6635 2.0513 0.2309 0.3218 -0.1615 308 PHE A CB 1933 C CG . PHE A 281 ? 2.8951 1.7056 2.0894 0.2529 0.2992 -0.1533 308 PHE A CG 1934 C CD1 . PHE A 281 ? 2.8797 1.7214 2.0878 0.2289 0.2840 -0.1440 308 PHE A CD1 1935 C CD2 . PHE A 281 ? 2.9350 1.7458 2.1427 0.2994 0.2917 -0.1567 308 PHE A CD2 1936 C CE1 . PHE A 281 ? 2.8632 1.7328 2.0956 0.2479 0.2645 -0.1365 308 PHE A CE1 1937 C CE2 . PHE A 281 ? 2.9336 1.7721 2.1639 0.3200 0.2696 -0.1496 308 PHE A CE2 1938 C CZ . PHE A 281 ? 2.8910 1.7576 2.1325 0.2928 0.2573 -0.1387 308 PHE A CZ 1939 N N . THR A 282 ? 2.8909 1.5451 1.9323 0.1568 0.3625 -0.1674 309 THR A N 1940 C CA . THR A 282 ? 2.9087 1.5367 1.9209 0.1283 0.3798 -0.1762 309 THR A CA 1941 C C . THR A 282 ? 2.8677 1.5267 1.8861 0.0879 0.3673 -0.1769 309 THR A C 1942 O O . THR A 282 ? 2.8202 1.4897 1.8388 0.0727 0.3546 -0.1732 309 THR A O 1943 C CB . THR A 282 ? 2.9844 1.5302 1.9294 0.1226 0.4022 -0.1794 309 THR A CB 1944 O OG1 . THR A 282 ? 3.0008 1.5215 1.9187 0.1107 0.3984 -0.1739 309 THR A OG1 1945 C CG2 . THR A 282 ? 3.0148 1.5220 1.9464 0.1646 0.4156 -0.1820 309 THR A CG2 1946 N N . VAL A 283 ? 2.8883 1.5584 1.9083 0.0718 0.3712 -0.1836 310 VAL A N 1947 C CA . VAL A 283 ? 2.8833 1.5819 1.9066 0.0402 0.3547 -0.1855 310 VAL A CA 1948 C C . VAL A 283 ? 2.9442 1.6017 1.9190 0.0075 0.3613 -0.1943 310 VAL A C 1949 O O . VAL A 283 ? 3.0310 1.6448 1.9685 -0.0006 0.3811 -0.2015 310 VAL A O 1950 C CB . VAL A 283 ? 2.8691 1.5883 1.9049 0.0375 0.3558 -0.1892 310 VAL A CB 1951 C CG1 . VAL A 283 ? 2.8413 1.5827 1.8723 0.0107 0.3339 -0.1903 310 VAL A CG1 1952 C CG2 . VAL A 283 ? 2.8395 1.6011 1.9262 0.0668 0.3540 -0.1858 310 VAL A CG2 1953 N N . VAL A 284 ? 2.9259 1.6002 1.9038 -0.0121 0.3455 -0.1962 311 VAL A N 1954 C CA . VAL A 284 ? 2.9598 1.6044 1.8996 -0.0453 0.3506 -0.2095 311 VAL A CA 1955 C C . VAL A 284 ? 2.9346 1.5970 1.8681 -0.0671 0.3346 -0.2187 311 VAL A C 1956 O O . VAL A 284 ? 2.8638 1.5742 1.8257 -0.0722 0.3072 -0.2194 311 VAL A O 1957 C CB . VAL A 284 ? 2.9507 1.6087 1.9001 -0.0596 0.3428 -0.2135 311 VAL A CB 1958 C CG1 . VAL A 284 ? 2.9934 1.6264 1.9089 -0.0971 0.3503 -0.2330 311 VAL A CG1 1959 C CG2 . VAL A 284 ? 2.9661 1.5934 1.9080 -0.0369 0.3583 -0.2033 311 VAL A CG2 1995 N N . GLU B 1 ? 1.5363 1.2336 1.4548 -0.2265 0.1353 0.0220 502 GLU B N 1996 C CA . GLU B 1 ? 1.5647 1.2250 1.4509 -0.2416 0.1357 0.0255 502 GLU B CA 1997 C C . GLU B 1 ? 1.5607 1.1727 1.4208 -0.2264 0.1239 0.0330 502 GLU B C 1998 O O . GLU B 1 ? 1.5425 1.1566 1.4171 -0.2036 0.1148 0.0351 502 GLU B O 1999 C CB . GLU B 1 ? 1.5642 1.2505 1.4745 -0.2487 0.1373 0.0210 502 GLU B CB 2000 C CG . GLU B 1 ? 1.5772 1.3111 1.5115 -0.2657 0.1487 0.0131 502 GLU B CG 2001 C CD . GLU B 1 ? 1.5865 1.3424 1.5414 -0.2733 0.1489 0.0089 502 GLU B CD 2002 O OE1 . GLU B 1 ? 1.6332 1.4003 1.5823 -0.2976 0.1577 0.0054 502 GLU B OE1 2003 O OE2 . GLU B 1 ? 1.5643 1.3266 1.5405 -0.2556 0.1402 0.0092 502 GLU B OE2 2004 N N . ALA B 2 ? 1.5791 1.1481 1.4001 -0.2393 0.1238 0.0368 503 ALA B N 2005 C CA . ALA B 2 ? 1.5692 1.0911 1.3634 -0.2249 0.1125 0.0431 503 ALA B CA 2006 C C . ALA B 2 ? 1.5126 1.0379 1.3212 -0.2192 0.1081 0.0420 503 ALA B C 2007 O O . ALA B 2 ? 1.4916 1.0419 1.3161 -0.2341 0.1145 0.0374 503 ALA B O 2008 C CB . ALA B 2 ? 1.6345 1.1011 1.3723 -0.2404 0.1138 0.0479 503 ALA B CB 2009 N N . ILE B 3 ? 1.4600 0.9609 1.2625 -0.1976 0.0972 0.0460 504 ILE B N 2010 C CA . ILE B 3 ? 1.4076 0.9086 1.2215 -0.1887 0.0924 0.0453 504 ILE B CA 2011 C C . ILE B 3 ? 1.4194 0.8648 1.1859 -0.1956 0.0893 0.0488 504 ILE B C 2012 O O . ILE B 3 ? 1.4408 0.8455 1.1779 -0.1821 0.0814 0.0536 504 ILE B O 2013 C CB . ILE B 3 ? 1.3677 0.8813 1.2080 -0.1591 0.0827 0.0469 504 ILE B CB 2014 C CG1 . ILE B 3 ? 1.3242 0.8903 1.2100 -0.1525 0.0848 0.0433 504 ILE B CG1 2015 C CG2 . ILE B 3 ? 1.3417 0.8515 1.1891 -0.1494 0.0783 0.0464 504 ILE B CG2 2016 C CD1 . ILE B 3 ? 1.2887 0.8970 1.2067 -0.1636 0.0917 0.0372 504 ILE B CD1 2017 N N . VAL B 4 ? 1.4006 0.8445 1.1596 -0.2161 0.0949 0.0461 505 VAL B N 2018 C CA . VAL B 4 ? 1.4398 0.8306 1.1529 -0.2254 0.0922 0.0488 505 VAL B CA 2019 C C . VAL B 4 ? 1.4058 0.8001 1.1334 -0.2130 0.0870 0.0470 505 VAL B C 2020 O O . VAL B 4 ? 1.3895 0.8162 1.1425 -0.2240 0.0916 0.0424 505 VAL B O 2021 C CB . VAL B 4 ? 1.4651 0.8498 1.1564 -0.2602 0.1020 0.0469 505 VAL B CB 2022 C CG1 . VAL B 4 ? 1.5274 0.8521 1.1667 -0.2713 0.0985 0.0499 505 VAL B CG1 2023 C CG2 . VAL B 4 ? 1.4746 0.8621 1.1547 -0.2735 0.1091 0.0479 505 VAL B CG2 2024 N N . ASN B 5 ? 1.3940 0.7561 1.1056 -0.1898 0.0775 0.0504 506 ASN B N 2025 C CA . ASN B 5 ? 1.3664 0.7262 1.0858 -0.1777 0.0729 0.0489 506 ASN B CA 2026 C C . ASN B 5 ? 1.3866 0.7165 1.0741 -0.2006 0.0756 0.0475 506 ASN B C 2027 O O . ASN B 5 ? 1.4427 0.7195 1.0801 -0.2106 0.0739 0.0507 506 ASN B O 2028 C CB . ASN B 5 ? 1.3713 0.7016 1.0769 -0.1482 0.0628 0.0524 506 ASN B CB 2029 C CG . ASN B 5 ? 1.3648 0.7055 1.0888 -0.1326 0.0594 0.0500 506 ASN B CG 2030 O OD1 . ASN B 5 ? 1.3989 0.7162 1.1017 -0.1422 0.0598 0.0485 506 ASN B OD1 2031 N ND2 . ASN B 5 ? 1.3108 0.6860 1.0729 -0.1095 0.0563 0.0497 506 ASN B ND2 2032 N N . ALA B 6 ? 1.3551 0.7188 1.0711 -0.2093 0.0792 0.0428 507 ALA B N 2033 C CA . ALA B 6 ? 1.3963 0.7415 1.0898 -0.2334 0.0818 0.0406 507 ALA B CA 2034 C C . ALA B 6 ? 1.3704 0.7169 1.0743 -0.2209 0.0771 0.0382 507 ALA B C 2035 O O . ALA B 6 ? 1.3696 0.7285 1.0797 -0.2380 0.0798 0.0344 507 ALA B O 2036 C CB . ALA B 6 ? 1.3792 0.7685 1.0975 -0.2602 0.0913 0.0363 507 ALA B CB 2037 N N . GLN B 7 ? 1.3522 0.6869 1.0578 -0.1912 0.0702 0.0403 508 GLN B N 2038 C CA . GLN B 7 ? 1.3250 0.6589 1.0385 -0.1761 0.0660 0.0383 508 GLN B CA 2039 C C . GLN B 7 ? 1.3709 0.6389 1.0298 -0.1726 0.0601 0.0404 508 GLN B C 2040 O O . GLN B 7 ? 1.4069 0.6316 1.0270 -0.1715 0.0572 0.0443 508 GLN B O 2041 C CB . GLN B 7 ? 1.2718 0.6366 1.0220 -0.1457 0.0627 0.0389 508 GLN B CB 2042 C CG . GLN B 7 ? 1.2192 0.6437 1.0196 -0.1462 0.0671 0.0372 508 GLN B CG 2043 C CD . GLN B 7 ? 1.1907 0.6538 1.0187 -0.1650 0.0724 0.0321 508 GLN B CD 2044 O OE1 . GLN B 7 ? 1.1794 0.6729 1.0258 -0.1802 0.0777 0.0303 508 GLN B OE1 2045 N NE2 . GLN B 7 ? 1.1854 0.6474 1.0155 -0.1636 0.0707 0.0295 508 GLN B NE2 2046 N N . PRO B 8 ? 1.3711 0.6288 1.0244 -0.1701 0.0579 0.0377 509 PRO B N 2047 C CA . PRO B 8 ? 1.4365 0.6293 1.0361 -0.1649 0.0519 0.0391 509 PRO B CA 2048 C C . PRO B 8 ? 1.4567 0.6200 1.0379 -0.1350 0.0453 0.0427 509 PRO B C 2049 O O . PRO B 8 ? 1.5182 0.6246 1.0487 -0.1359 0.0409 0.0456 509 PRO B O 2050 C CB . PRO B 8 ? 1.4261 0.6272 1.0367 -0.1596 0.0507 0.0351 509 PRO B CB 2051 C CG . PRO B 8 ? 1.3746 0.6369 1.0343 -0.1744 0.0567 0.0315 509 PRO B CG 2052 C CD . PRO B 8 ? 1.3318 0.6344 1.0252 -0.1714 0.0603 0.0332 509 PRO B CD 2053 N N . LYS B 9 ? 1.4162 0.6184 1.0379 -0.1093 0.0444 0.0424 510 LYS B N 2054 C CA . LYS B 9 ? 1.4385 0.6246 1.0524 -0.0794 0.0381 0.0452 510 LYS B CA 2055 C C . LYS B 9 ? 1.3647 0.6042 1.0272 -0.0676 0.0397 0.0462 510 LYS B C 2056 O O . LYS B 9 ? 1.3328 0.6217 1.0365 -0.0786 0.0454 0.0443 510 LYS B O 2057 C CB . LYS B 9 ? 1.4745 0.6467 1.0823 -0.0550 0.0339 0.0431 510 LYS B CB 2058 C CG . LYS B 9 ? 1.5564 0.6746 1.1154 -0.0657 0.0318 0.0415 510 LYS B CG 2059 C CD . LYS B 9 ? 1.6101 0.6968 1.1468 -0.0367 0.0259 0.0402 510 LYS B CD 2060 C CE . LYS B 9 ? 1.7129 0.7244 1.1823 -0.0433 0.0205 0.0405 510 LYS B CE 2061 N NZ . LYS B 9 ? 1.7712 0.7515 1.2177 -0.0121 0.0146 0.0386 510 LYS B NZ 2062 N N . CYS B 10 ? 1.3595 0.5871 1.0151 -0.0455 0.0339 0.0492 511 CYS B N 2063 C CA . CYS B 10 ? 1.2988 0.5729 0.9978 -0.0305 0.0336 0.0504 511 CYS B CA 2064 C C . CYS B 10 ? 1.2826 0.5524 0.9839 0.0026 0.0268 0.0509 511 CYS B C 2065 O O . CYS B 10 ? 1.3140 0.5394 0.9772 0.0154 0.0200 0.0528 511 CYS B O 2066 C CB . CYS B 10 ? 1.3194 0.5875 1.0090 -0.0393 0.0330 0.0538 511 CYS B CB 2067 S SG . CYS B 10 ? 1.3047 0.6243 1.0428 -0.0199 0.0307 0.0553 511 CYS B SG 2068 N N . ASN B 11 ? 1.2414 0.5576 0.9868 0.0166 0.0285 0.0492 512 ASN B N 2069 C CA . ASN B 11 ? 1.2244 0.5497 0.9816 0.0472 0.0229 0.0499 512 ASN B CA 2070 C C . ASN B 11 ? 1.2059 0.5463 0.9760 0.0515 0.0192 0.0532 512 ASN B C 2071 O O . ASN B 11 ? 1.1452 0.5312 0.9551 0.0453 0.0226 0.0535 512 ASN B O 2072 C CB . ASN B 11 ? 1.1675 0.5393 0.9676 0.0583 0.0266 0.0474 512 ASN B CB 2073 C CG . ASN B 11 ? 1.1609 0.5428 0.9720 0.0894 0.0217 0.0476 512 ASN B CG 2074 O OD1 . ASN B 11 ? 1.1934 0.5580 0.9894 0.1035 0.0148 0.0497 512 ASN B OD1 2075 N ND2 . ASN B 11 ? 1.1324 0.5432 0.9694 0.1001 0.0251 0.0452 512 ASN B ND2 2076 N N . PRO B 12 ? 1.2541 0.5539 0.9883 0.0629 0.0115 0.0556 513 PRO B N 2077 C CA . PRO B 12 ? 1.2420 0.5510 0.9832 0.0652 0.0073 0.0589 513 PRO B CA 2078 C C . PRO B 12 ? 1.2036 0.5614 0.9902 0.0858 0.0042 0.0592 513 PRO B C 2079 O O . PRO B 12 ? 1.1885 0.5586 0.9851 0.0867 0.0006 0.0616 513 PRO B O 2080 C CB . PRO B 12 ? 1.2977 0.5468 0.9856 0.0757 -0.0014 0.0609 513 PRO B CB 2081 C CG . PRO B 12 ? 1.3116 0.5416 0.9854 0.0958 -0.0041 0.0583 513 PRO B CG 2082 C CD . PRO B 12 ? 1.2890 0.5366 0.9784 0.0799 0.0049 0.0552 513 PRO B CD 2083 N N . ASN B 13 ? 1.1912 0.5754 1.0033 0.1013 0.0056 0.0568 514 ASN B N 2084 C CA . ASN B 13 ? 1.1680 0.6004 1.0237 0.1188 0.0034 0.0570 514 ASN B CA 2085 C C . ASN B 13 ? 1.1204 0.6031 1.0210 0.1086 0.0114 0.0554 514 ASN B C 2086 O O . ASN B 13 ? 1.1185 0.6014 1.0195 0.1016 0.0174 0.0529 514 ASN B O 2087 C CB . ASN B 13 ? 1.1886 0.6140 1.0383 0.1478 -0.0018 0.0555 514 ASN B CB 2088 C CG . ASN B 13 ? 1.2503 0.6251 1.0548 0.1612 -0.0113 0.0568 514 ASN B CG 2089 O OD1 . ASN B 13 ? 1.2645 0.6384 1.0676 0.1659 -0.0182 0.0594 514 ASN B OD1 2090 N ND2 . ASN B 13 ? 1.2911 0.6203 1.0555 0.1668 -0.0122 0.0550 514 ASN B ND2 2091 N N . LEU B 14 ? 1.0887 0.6114 1.0247 0.1082 0.0105 0.0570 515 LEU B N 2092 C CA . LEU B 14 ? 1.0512 0.6216 1.0299 0.1007 0.0164 0.0560 515 LEU B CA 2093 C C . LEU B 14 ? 1.0200 0.6260 1.0301 0.1214 0.0136 0.0562 515 LEU B C 2094 O O . LEU B 14 ? 0.9839 0.6099 1.0113 0.1281 0.0082 0.0583 515 LEU B O 2095 C CB . LEU B 14 ? 1.0365 0.6244 1.0299 0.0827 0.0177 0.0573 515 LEU B CB 2096 C CG . LEU B 14 ? 1.0089 0.6438 1.0444 0.0747 0.0224 0.0563 515 LEU B CG 2097 C CD1 . LEU B 14 ? 1.0129 0.6518 1.0521 0.0666 0.0295 0.0533 515 LEU B CD1 2098 C CD2 . LEU B 14 ? 0.9951 0.6412 1.0391 0.0585 0.0232 0.0570 515 LEU B CD2 2099 N N . HIS B 15 ? 1.0176 0.6304 1.0333 0.1309 0.0173 0.0539 516 HIS B N 2100 C CA . HIS B 15 ? 0.9933 0.6473 1.0436 0.1456 0.0178 0.0536 516 HIS B CA 2101 C C . HIS B 15 ? 0.9488 0.6407 1.0333 0.1295 0.0237 0.0537 516 HIS B C 2102 O O . HIS B 15 ? 0.9387 0.6297 1.0227 0.1194 0.0301 0.0517 516 HIS B O 2103 C CB . HIS B 15 ? 1.0104 0.6539 1.0491 0.1618 0.0204 0.0508 516 HIS B CB 2104 C CG . HIS B 15 ? 0.9969 0.6799 1.0665 0.1799 0.0208 0.0504 516 HIS B CG 2105 N ND1 . HIS B 15 ? 1.0012 0.6879 1.0705 0.1927 0.0256 0.0475 516 HIS B ND1 2106 C CD2 . HIS B 15 ? 0.9701 0.6915 1.0716 0.1865 0.0172 0.0523 516 HIS B CD2 2107 C CE1 . HIS B 15 ? 0.9767 0.7041 1.0771 0.2063 0.0257 0.0476 516 HIS B CE1 2108 N NE2 . HIS B 15 ? 0.9580 0.7073 1.0788 0.2022 0.0204 0.0507 516 HIS B NE2 2109 N N . TYR B 16 ? 0.9145 0.6372 1.0263 0.1270 0.0208 0.0559 517 TYR B N 2110 C CA . TYR B 16 ? 0.8915 0.6444 1.0310 0.1110 0.0250 0.0561 517 TYR B CA 2111 C C . TYR B 16 ? 0.8511 0.6466 1.0264 0.1172 0.0262 0.0568 517 TYR B C 2112 O O . TYR B 16 ? 0.8375 0.6474 1.0229 0.1329 0.0226 0.0578 517 TYR B O 2113 C CB . TYR B 16 ? 0.9060 0.6574 1.0457 0.0976 0.0219 0.0576 517 TYR B CB 2114 C CG . TYR B 16 ? 0.8919 0.6576 1.0437 0.1052 0.0143 0.0604 517 TYR B CG 2115 C CD1 . TYR B 16 ? 0.8617 0.6648 1.0465 0.1029 0.0131 0.0617 517 TYR B CD1 2116 C CD2 . TYR B 16 ? 0.9385 0.6777 1.0665 0.1132 0.0076 0.0618 517 TYR B CD2 2117 C CE1 . TYR B 16 ? 0.8731 0.6889 1.0685 0.1084 0.0055 0.0641 517 TYR B CE1 2118 C CE2 . TYR B 16 ? 0.9437 0.6956 1.0821 0.1198 -0.0003 0.0642 517 TYR B CE2 2119 C CZ . TYR B 16 ? 0.9105 0.7016 1.0833 0.1170 -0.0013 0.0653 517 TYR B CZ 2120 O OH . TYR B 16 ? 0.9216 0.7254 1.1046 0.1223 -0.0099 0.0676 517 TYR B OH 2121 N N . TRP B 17 ? 0.8225 0.6374 1.0157 0.1043 0.0312 0.0561 518 TRP B N 2122 C CA . TRP B 17 ? 0.8049 0.6585 1.0306 0.1048 0.0322 0.0574 518 TRP B CA 2123 C C . TRP B 17 ? 0.7868 0.6554 1.0282 0.0895 0.0307 0.0584 518 TRP B C 2124 O O . TRP B 17 ? 0.7980 0.6513 1.0280 0.0769 0.0320 0.0570 518 TRP B O 2125 C CB . TRP B 17 ? 0.8028 0.6656 1.0344 0.1058 0.0393 0.0556 518 TRP B CB 2126 C CG . TRP B 17 ? 0.8042 0.6511 1.0237 0.0923 0.0439 0.0531 518 TRP B CG 2127 C CD1 . TRP B 17 ? 0.8359 0.6533 1.0295 0.0926 0.0467 0.0506 518 TRP B CD1 2128 C CD2 . TRP B 17 ? 0.7910 0.6510 1.0238 0.0768 0.0454 0.0527 518 TRP B CD2 2129 N NE1 . TRP B 17 ? 0.8344 0.6480 1.0258 0.0775 0.0499 0.0486 518 TRP B NE1 2130 C CE2 . TRP B 17 ? 0.7994 0.6394 1.0151 0.0684 0.0491 0.0496 518 TRP B CE2 2131 C CE3 . TRP B 17 ? 0.7758 0.6614 1.0321 0.0695 0.0434 0.0543 518 TRP B CE3 2132 C CZ2 . TRP B 17 ? 0.7899 0.6372 1.0130 0.0542 0.0506 0.0479 518 TRP B CZ2 2133 C CZ3 . TRP B 17 ? 0.7622 0.6520 1.0235 0.0561 0.0450 0.0526 518 TRP B CZ3 2134 C CH2 . TRP B 17 ? 0.7701 0.6422 1.0159 0.0491 0.0485 0.0493 518 TRP B CH2 2135 N N . THR B 18 ? 0.7667 0.6654 1.0335 0.0905 0.0280 0.0607 519 THR B N 2136 C CA . THR B 18 ? 0.7551 0.6687 1.0371 0.0774 0.0261 0.0616 519 THR B CA 2137 C C . THR B 18 ? 0.7606 0.7072 1.0694 0.0793 0.0243 0.0641 519 THR B C 2138 O O . THR B 18 ? 0.7548 0.7150 1.0715 0.0898 0.0258 0.0648 519 THR B O 2139 C CB . THR B 18 ? 0.7583 0.6583 1.0302 0.0732 0.0204 0.0622 519 THR B CB 2140 O OG1 . THR B 18 ? 0.7243 0.6347 1.0070 0.0606 0.0195 0.0620 519 THR B OG1 2141 C CG2 . THR B 18 ? 0.7661 0.6727 1.0422 0.0846 0.0130 0.0649 519 THR B CG2 2142 N N . THR B 19 ? 0.7820 0.7412 1.1036 0.0688 0.0212 0.0652 520 THR B N 2143 C CA . THR B 19 ? 0.8121 0.8002 1.1569 0.0678 0.0184 0.0680 520 THR B CA 2144 C C . THR B 19 ? 0.9031 0.8970 1.2526 0.0716 0.0099 0.0702 520 THR B C 2145 O O . THR B 19 ? 0.8813 0.8552 1.2154 0.0721 0.0062 0.0696 520 THR B O 2146 C CB . THR B 19 ? 0.7662 0.7623 1.1199 0.0544 0.0190 0.0679 520 THR B CB 2147 O OG1 . THR B 19 ? 0.7646 0.7479 1.1107 0.0471 0.0148 0.0669 520 THR B OG1 2148 C CG2 . THR B 19 ? 0.7531 0.7429 1.1013 0.0512 0.0262 0.0655 520 THR B CG2 2149 N N . GLN B 20 ? 1.0224 1.0437 1.3923 0.0733 0.0067 0.0729 521 GLN B N 2150 C CA . GLN B 20 ? 1.1299 1.1603 1.5068 0.0758 -0.0025 0.0751 521 GLN B CA 2151 C C . GLN B 20 ? 1.2094 1.2331 1.5844 0.0632 -0.0078 0.0756 521 GLN B C 2152 O O . GLN B 20 ? 1.2258 1.2557 1.6076 0.0524 -0.0059 0.0758 521 GLN B O 2153 C CB . GLN B 20 ? 1.1546 1.2198 1.5557 0.0790 -0.0041 0.0775 521 GLN B CB 2154 C CG . GLN B 20 ? 1.1907 1.2684 1.6002 0.0840 -0.0144 0.0795 521 GLN B CG 2155 C CD . GLN B 20 ? 1.2286 1.2979 1.6284 0.1017 -0.0169 0.0783 521 GLN B CD 2156 O OE1 . GLN B 20 ? 1.2435 1.3321 1.6539 0.1135 -0.0145 0.0778 521 GLN B OE1 2157 N NE2 . GLN B 20 ? 1.2487 1.2887 1.6270 0.1042 -0.0218 0.0776 521 GLN B NE2 2158 N N . ASP B 21 ? 1.3184 1.3272 1.6818 0.0653 -0.0145 0.0757 522 ASP B N 2159 C CA . ASP B 21 ? 1.3843 1.3861 1.7442 0.0552 -0.0203 0.0760 522 ASP B CA 2160 C C . ASP B 21 ? 1.4593 1.4736 1.8281 0.0563 -0.0310 0.0787 522 ASP B C 2161 O O . ASP B 21 ? 1.4517 1.4670 1.8228 0.0468 -0.0361 0.0794 522 ASP B O 2162 C CB . ASP B 21 ? 1.3778 1.3494 1.7136 0.0532 -0.0183 0.0733 522 ASP B CB 2163 C CG . ASP B 21 ? 1.4119 1.3661 1.7311 0.0627 -0.0227 0.0738 522 ASP B CG 2164 O OD1 . ASP B 21 ? 1.4035 1.3349 1.7034 0.0589 -0.0231 0.0725 522 ASP B OD1 2165 O OD2 . ASP B 21 ? 1.4099 1.3724 1.7340 0.0742 -0.0258 0.0753 522 ASP B OD2 2166 N N . GLU B 22 ? 1.5638 1.5867 1.9367 0.0682 -0.0351 0.0800 523 GLU B N 2167 C CA . GLU B 22 ? 1.6436 1.6799 2.0253 0.0708 -0.0463 0.0823 523 GLU B CA 2168 C C . GLU B 22 ? 1.6678 1.7390 2.0741 0.0773 -0.0473 0.0839 523 GLU B C 2169 O O . GLU B 22 ? 1.7160 1.7940 2.1257 0.0860 -0.0400 0.0829 523 GLU B O 2170 C CB . GLU B 22 ? 1.6967 1.7091 2.0576 0.0806 -0.0523 0.0818 523 GLU B CB 2171 C CG . GLU B 22 ? 1.7267 1.7465 2.0914 0.0831 -0.0654 0.0839 523 GLU B CG 2172 C CD . GLU B 22 ? 1.7363 1.7530 2.1003 0.0690 -0.0710 0.0847 523 GLU B CD 2173 O OE1 . GLU B 22 ? 1.7064 1.7082 2.0610 0.0591 -0.0651 0.0831 523 GLU B OE1 2174 O OE2 . GLU B 22 ? 1.7654 1.7948 2.1380 0.0684 -0.0819 0.0866 523 GLU B OE2 2175 N N . GLY B 23 ? 1.6608 1.7547 2.0837 0.0728 -0.0561 0.0863 524 GLY B N 2176 C CA . GLY B 23 ? 1.6383 1.7703 2.0868 0.0775 -0.0580 0.0878 524 GLY B CA 2177 C C . GLY B 23 ? 1.6214 1.7782 2.0892 0.0628 -0.0542 0.0897 524 GLY B C 2178 O O . GLY B 23 ? 1.5969 1.7439 2.0595 0.0552 -0.0455 0.0891 524 GLY B O 2179 N N . ALA B 24 ? 1.6141 1.8024 2.1031 0.0584 -0.0613 0.0921 525 ALA B N 2180 C CA . ALA B 24 ? 1.5674 1.7809 2.0744 0.0430 -0.0585 0.0944 525 ALA B CA 2181 C C . ALA B 24 ? 1.5079 1.7451 2.0288 0.0484 -0.0468 0.0939 525 ALA B C 2182 O O . ALA B 24 ? 1.5070 1.7553 2.0328 0.0652 -0.0445 0.0920 525 ALA B O 2183 C CB . ALA B 24 ? 1.5634 1.8040 2.0882 0.0354 -0.0700 0.0971 525 ALA B CB 2184 N N . ALA B 25 ? 1.4405 1.6836 1.9657 0.0346 -0.0398 0.0953 526 ALA B N 2185 C CA . ALA B 25 ? 1.3898 1.6539 1.9260 0.0371 -0.0278 0.0949 526 ALA B CA 2186 C C . ALA B 25 ? 1.3255 1.6367 1.8898 0.0381 -0.0289 0.0964 526 ALA B C 2187 O O . ALA B 25 ? 1.2718 1.6013 1.8486 0.0264 -0.0376 0.0991 526 ALA B O 2188 C CB . ALA B 25 ? 1.3761 1.6298 1.9058 0.0210 -0.0211 0.0963 526 ALA B CB 2189 N N . ILE B 26 ? 1.2753 1.6065 1.8488 0.0519 -0.0200 0.0943 527 ILE B N 2190 C CA . ILE B 26 ? 1.2640 1.6440 1.8656 0.0565 -0.0197 0.0946 527 ILE B CA 2191 C C . ILE B 26 ? 1.1838 1.5909 1.8004 0.0365 -0.0129 0.0978 527 ILE B C 2192 O O . ILE B 26 ? 1.1795 1.5906 1.7950 0.0364 -0.0002 0.0972 527 ILE B O 2193 C CB . ILE B 26 ? 1.2925 1.6833 1.8969 0.0808 -0.0125 0.0905 527 ILE B CB 2194 C CG1 . ILE B 26 ? 1.3080 1.6676 1.8935 0.0997 -0.0201 0.0877 527 ILE B CG1 2195 C CG2 . ILE B 26 ? 1.2702 1.7164 1.9060 0.0864 -0.0115 0.0901 527 ILE B CG2 2196 C CD1 . ILE B 26 ? 1.3229 1.6357 1.8785 0.1046 -0.0139 0.0857 527 ILE B CD1 2197 N N . GLY B 27 ? 1.0848 1.5077 1.7128 0.0189 -0.0216 0.1012 528 GLY B N 2198 C CA . GLY B 27 ? 1.0237 1.4705 1.6637 -0.0027 -0.0168 0.1049 528 GLY B CA 2199 C C . GLY B 27 ? 0.9696 1.3810 1.5873 -0.0170 -0.0110 0.1066 528 GLY B C 2200 O O . GLY B 27 ? 0.9320 1.3076 1.5308 -0.0238 -0.0186 0.1073 528 GLY B O 2201 N N . LEU B 28 ? 0.9063 1.3276 1.5253 -0.0202 0.0021 0.1068 529 LEU B N 2202 C CA . LEU B 28 ? 0.8573 1.2483 1.4557 -0.0337 0.0078 0.1085 529 LEU B CA 2203 C C . LEU B 28 ? 0.8047 1.1605 1.3817 -0.0197 0.0148 0.1049 529 LEU B C 2204 O O . LEU B 28 ? 0.7840 1.1179 1.3452 -0.0285 0.0201 0.1057 529 LEU B O 2205 C CB . LEU B 28 ? 0.8670 1.2869 1.4762 -0.0480 0.0181 0.1113 529 LEU B CB 2206 C CG . LEU B 28 ? 0.8826 1.3420 1.5138 -0.0658 0.0138 0.1152 529 LEU B CG 2207 C CD1 . LEU B 28 ? 0.8819 1.3667 1.5200 -0.0790 0.0269 0.1176 529 LEU B CD1 2208 C CD2 . LEU B 28 ? 0.8836 1.3199 1.5036 -0.0845 0.0004 0.1186 529 LEU B CD2 2209 N N . ALA B 29 ? 0.7503 1.0993 1.3252 0.0011 0.0141 0.1010 530 ALA B N 2210 C CA . ALA B 29 ? 0.7158 1.0357 1.2718 0.0142 0.0213 0.0975 530 ALA B CA 2211 C C . ALA B 29 ? 0.6991 0.9753 1.2310 0.0069 0.0179 0.0972 530 ALA B C 2212 O O . ALA B 29 ? 0.7057 0.9595 1.2221 0.0112 0.0247 0.0951 530 ALA B O 2213 C CB . ALA B 29 ? 0.7183 1.0377 1.2748 0.0369 0.0197 0.0937 530 ALA B CB 2214 N N . TRP B 30 ? 0.6716 0.9366 1.2004 -0.0031 0.0070 0.0990 531 TRP B N 2215 C CA . TRP B 30 ? 0.6382 0.8658 1.1460 -0.0111 0.0031 0.0986 531 TRP B CA 2216 C C . TRP B 30 ? 0.6296 0.8483 1.1289 -0.0256 0.0077 0.1005 531 TRP B C 2217 O O . TRP B 30 ? 0.6436 0.8320 1.1248 -0.0270 0.0074 0.0987 531 TRP B O 2218 C CB . TRP B 30 ? 0.6277 0.8473 1.1340 -0.0181 -0.0097 0.0999 531 TRP B CB 2219 C CG . TRP B 30 ? 0.6097 0.8531 1.1299 -0.0339 -0.0152 0.1042 531 TRP B CG 2220 C CD1 . TRP B 30 ? 0.5964 0.8737 1.1376 -0.0335 -0.0191 0.1058 531 TRP B CD1 2221 C CD2 . TRP B 30 ? 0.6084 0.8422 1.1210 -0.0531 -0.0181 0.1072 531 TRP B CD2 2222 N NE1 . TRP B 30 ? 0.5997 0.8907 1.1477 -0.0527 -0.0239 0.1098 531 TRP B NE1 2223 C CE2 . TRP B 30 ? 0.6050 0.8676 1.1342 -0.0652 -0.0234 0.1109 531 TRP B CE2 2224 C CE3 . TRP B 30 ? 0.6043 0.8074 1.0967 -0.0608 -0.0174 0.1070 531 TRP B CE3 2225 C CZ2 . TRP B 30 ? 0.6019 0.8607 1.1260 -0.0861 -0.0278 0.1148 531 TRP B CZ2 2226 C CZ3 . TRP B 30 ? 0.6123 0.8106 1.0990 -0.0797 -0.0221 0.1106 531 TRP B CZ3 2227 C CH2 . TRP B 30 ? 0.6130 0.8377 1.1145 -0.0928 -0.0272 0.1147 531 TRP B CH2 2228 N N . ILE B 31 ? 0.6216 0.8666 1.1333 -0.0366 0.0114 0.1039 532 ILE B N 2229 C CA . ILE B 31 ? 0.6154 0.8520 1.1173 -0.0515 0.0158 0.1064 532 ILE B CA 2230 C C . ILE B 31 ? 0.6157 0.8416 1.1076 -0.0422 0.0269 0.1036 532 ILE B C 2231 O O . ILE B 31 ? 0.6316 0.8795 1.1343 -0.0322 0.0355 0.1025 532 ILE B O 2232 C CB . ILE B 31 ? 0.6072 0.8780 1.1252 -0.0660 0.0187 0.1108 532 ILE B CB 2233 C CG1 . ILE B 31 ? 0.6148 0.8931 1.1400 -0.0787 0.0066 0.1139 532 ILE B CG1 2234 C CG2 . ILE B 31 ? 0.6097 0.8712 1.1151 -0.0800 0.0252 0.1134 532 ILE B CG2 2235 C CD1 . ILE B 31 ? 0.6268 0.9459 1.1726 -0.0921 0.0087 0.1178 532 ILE B CD1 2236 N N . PRO B 32 ? 0.6214 0.8144 1.0926 -0.0451 0.0265 0.1023 533 PRO B N 2237 C CA . PRO B 32 ? 0.6127 0.7935 1.0733 -0.0355 0.0358 0.0992 533 PRO B CA 2238 C C . PRO B 32 ? 0.6147 0.8164 1.0806 -0.0380 0.0472 0.1009 533 PRO B C 2239 O O . PRO B 32 ? 0.6051 0.8085 1.0692 -0.0257 0.0557 0.0980 533 PRO B O 2240 C CB . PRO B 32 ? 0.6112 0.7576 1.0508 -0.0417 0.0314 0.0981 533 PRO B CB 2241 C CG . PRO B 32 ? 0.6168 0.7532 1.0552 -0.0476 0.0196 0.0988 533 PRO B CG 2242 C CD . PRO B 32 ? 0.6235 0.7886 1.0794 -0.0555 0.0171 0.1029 533 PRO B CD 2243 N N . TYR B 33 ? 0.6187 0.8351 1.0893 -0.0542 0.0476 0.1054 534 TYR B N 2244 C CA . TYR B 33 ? 0.6337 0.8740 1.1104 -0.0586 0.0591 0.1074 534 TYR B CA 2245 C C . TYR B 33 ? 0.6226 0.8985 1.1203 -0.0446 0.0663 0.1055 534 TYR B C 2246 O O . TYR B 33 ? 0.6377 0.9242 1.1353 -0.0378 0.0777 0.1041 534 TYR B O 2247 C CB . TYR B 33 ? 0.6501 0.9023 1.1293 -0.0807 0.0572 0.1131 534 TYR B CB 2248 C CG . TYR B 33 ? 0.6599 0.9379 1.1445 -0.0880 0.0698 0.1155 534 TYR B CG 2249 C CD1 . TYR B 33 ? 0.6624 0.9842 1.1710 -0.0938 0.0736 0.1178 534 TYR B CD1 2250 C CD2 . TYR B 33 ? 0.6726 0.9328 1.1385 -0.0889 0.0781 0.1151 534 TYR B CD2 2251 C CE1 . TYR B 33 ? 0.6716 1.0198 1.1857 -0.1009 0.0864 0.1197 534 TYR B CE1 2252 C CE2 . TYR B 33 ? 0.6877 0.9709 1.1567 -0.0958 0.0906 0.1173 534 TYR B CE2 2253 C CZ . TYR B 33 ? 0.6863 1.0142 1.1796 -0.1019 0.0952 0.1195 534 TYR B CZ 2254 O OH . TYR B 33 ? 0.6953 1.0489 1.1923 -0.1092 0.1086 0.1214 534 TYR B OH 2255 N N . PHE B 34 ? 0.6018 0.8947 1.1161 -0.0394 0.0592 0.1052 535 PHE B N 2256 C CA . PHE B 34 ? 0.5910 0.9195 1.1264 -0.0253 0.0638 0.1033 535 PHE B CA 2257 C C . PHE B 34 ? 0.6006 0.9149 1.1315 -0.0029 0.0624 0.0984 535 PHE B C 2258 O O . PHE B 34 ? 0.6198 0.9553 1.1610 0.0126 0.0683 0.0957 535 PHE B O 2259 C CB . PHE B 34 ? 0.5687 0.9284 1.1261 -0.0332 0.0561 0.1061 535 PHE B CB 2260 C CG . PHE B 34 ? 0.5585 0.9435 1.1252 -0.0544 0.0596 0.1109 535 PHE B CG 2261 C CD1 . PHE B 34 ? 0.5571 0.9770 1.1367 -0.0539 0.0725 0.1110 535 PHE B CD1 2262 C CD2 . PHE B 34 ? 0.5541 0.9278 1.1152 -0.0752 0.0503 0.1151 535 PHE B CD2 2263 C CE1 . PHE B 34 ? 0.5640 1.0085 1.1514 -0.0754 0.0767 0.1156 535 PHE B CE1 2264 C CE2 . PHE B 34 ? 0.5694 0.9646 1.1367 -0.0967 0.0534 0.1199 535 PHE B CE2 2265 C CZ . PHE B 34 ? 0.5697 1.0010 1.1505 -0.0977 0.0669 0.1203 535 PHE B CZ 2266 N N . GLY B 35 ? 0.6043 0.8825 1.1187 -0.0011 0.0547 0.0970 536 GLY B N 2267 C CA . GLY B 35 ? 0.6021 0.8646 1.1107 0.0169 0.0516 0.0929 536 GLY B CA 2268 C C . GLY B 35 ? 0.6051 0.8534 1.1005 0.0308 0.0609 0.0890 536 GLY B C 2269 O O . GLY B 35 ? 0.5976 0.8515 1.0901 0.0278 0.0705 0.0892 536 GLY B O 2270 N N . PRO B 36 ? 0.6192 0.8470 1.1044 0.0452 0.0580 0.0855 537 PRO B N 2271 C CA . PRO B 36 ? 0.6578 0.8692 1.1282 0.0584 0.0657 0.0816 537 PRO B CA 2272 C C . PRO B 36 ? 0.6891 0.8710 1.1399 0.0500 0.0687 0.0809 537 PRO B C 2273 O O . PRO B 36 ? 0.6837 0.8512 1.1295 0.0372 0.0627 0.0824 537 PRO B O 2274 C CB . PRO B 36 ? 0.6573 0.8513 1.1200 0.0727 0.0596 0.0788 537 PRO B CB 2275 C CG . PRO B 36 ? 0.6488 0.8362 1.1142 0.0629 0.0487 0.0810 537 PRO B CG 2276 C CD . PRO B 36 ? 0.6308 0.8468 1.1149 0.0488 0.0472 0.0851 537 PRO B CD 2277 N N . ALA B 37 ? 0.7288 0.9026 1.1682 0.0580 0.0774 0.0782 538 ALA B N 2278 C CA . ALA B 37 ? 0.7565 0.9013 1.1759 0.0530 0.0798 0.0765 538 ALA B CA 2279 C C . ALA B 37 ? 0.7919 0.9062 1.1965 0.0578 0.0738 0.0735 538 ALA B C 2280 O O . ALA B 37 ? 0.8199 0.9341 1.2274 0.0666 0.0692 0.0726 538 ALA B O 2281 C CB . ALA B 37 ? 0.7609 0.9064 1.1716 0.0607 0.0907 0.0744 538 ALA B CB 2282 N N . ALA B 38 ? 0.7984 0.8876 1.1867 0.0519 0.0738 0.0717 539 ALA B N 2283 C CA . ALA B 38 ? 0.8125 0.8739 1.1862 0.0541 0.0692 0.0685 539 ALA B CA 2284 C C . ALA B 38 ? 0.8257 0.8774 1.1910 0.0689 0.0706 0.0657 539 ALA B C 2285 O O . ALA B 38 ? 0.8481 0.8851 1.2073 0.0708 0.0650 0.0646 539 ALA B O 2286 C CB . ALA B 38 ? 0.8291 0.8696 1.1871 0.0477 0.0709 0.0662 539 ALA B CB 2287 N N . GLU B 39 ? 0.8418 0.9005 1.2050 0.0797 0.0779 0.0646 540 GLU B N 2288 C CA . GLU B 39 ? 0.8586 0.9058 1.2108 0.0958 0.0791 0.0617 540 GLU B CA 2289 C C . GLU B 39 ? 0.8130 0.8734 1.1767 0.1047 0.0735 0.0629 540 GLU B C 2290 O O . GLU B 39 ? 0.8238 0.8662 1.1742 0.1163 0.0711 0.0607 540 GLU B O 2291 C CB . GLU B 39 ? 0.9238 0.9773 1.2711 0.1066 0.0885 0.0599 540 GLU B CB 2292 C CG . GLU B 39 ? 0.9896 1.0196 1.3166 0.1028 0.0934 0.0573 540 GLU B CG 2293 C CD . GLU B 39 ? 1.0183 1.0560 1.3505 0.0876 0.0954 0.0595 540 GLU B CD 2294 O OE1 . GLU B 39 ? 1.0396 1.0555 1.3553 0.0822 0.0963 0.0575 540 GLU B OE1 2295 O OE2 . GLU B 39 ? 1.0374 1.1015 1.3885 0.0808 0.0955 0.0631 540 GLU B OE2 2296 N N . GLY B 40 ? 0.7434 0.8330 1.1296 0.0991 0.0707 0.0663 541 GLY B N 2297 C CA . GLY B 40 ? 0.7164 0.8243 1.1164 0.1078 0.0653 0.0675 541 GLY B CA 2298 C C . GLY B 40 ? 0.6805 0.7893 1.0884 0.0986 0.0555 0.0700 541 GLY B C 2299 O O . GLY B 40 ? 0.6657 0.7985 1.0908 0.1014 0.0509 0.0720 541 GLY B O 2300 N N . ILE B 41 ? 0.6779 0.7615 1.0731 0.0882 0.0521 0.0696 542 ILE B N 2301 C CA . ILE B 41 ? 0.6650 0.7452 1.0639 0.0800 0.0430 0.0714 542 ILE B CA 2302 C C . ILE B 41 ? 0.6777 0.7334 1.0608 0.0873 0.0379 0.0696 542 ILE B C 2303 O O . ILE B 41 ? 0.6981 0.7476 1.0808 0.0813 0.0309 0.0706 542 ILE B O 2304 C CB . ILE B 41 ? 0.6612 0.7318 1.0572 0.0637 0.0419 0.0719 542 ILE B CB 2305 C CG1 . ILE B 41 ? 0.6899 0.7304 1.0651 0.0623 0.0444 0.0684 542 ILE B CG1 2306 C CG2 . ILE B 41 ? 0.6445 0.7348 1.0520 0.0556 0.0464 0.0740 542 ILE B CG2 2307 C CD1 . ILE B 41 ? 0.6687 0.7006 1.0411 0.0487 0.0426 0.0679 542 ILE B CD1 2308 N N . TYR B 42 ? 0.7061 0.7463 1.0743 0.1001 0.0411 0.0671 543 TYR B N 2309 C CA . TYR B 42 ? 0.7084 0.7189 1.0557 0.1055 0.0371 0.0654 543 TYR B CA 2310 C C . TYR B 42 ? 0.7173 0.7323 1.0659 0.1200 0.0311 0.0660 543 TYR B C 2311 O O . TYR B 42 ? 0.7084 0.7469 1.0703 0.1313 0.0324 0.0662 543 TYR B O 2312 C CB . TYR B 42 ? 0.7263 0.7101 1.0508 0.1098 0.0431 0.0621 543 TYR B CB 2313 C CG . TYR B 42 ? 0.7192 0.6979 1.0415 0.0964 0.0479 0.0611 543 TYR B CG 2314 C CD1 . TYR B 42 ? 0.7094 0.6741 1.0255 0.0832 0.0452 0.0605 543 TYR B CD1 2315 C CD2 . TYR B 42 ? 0.7248 0.7139 1.0511 0.0973 0.0549 0.0604 543 TYR B CD2 2316 C CE1 . TYR B 42 ? 0.7027 0.6644 1.0175 0.0723 0.0486 0.0591 543 TYR B CE1 2317 C CE2 . TYR B 42 ? 0.7216 0.7051 1.0447 0.0857 0.0582 0.0595 543 TYR B CE2 2318 C CZ . TYR B 42 ? 0.7053 0.6754 1.0232 0.0736 0.0545 0.0587 543 TYR B CZ 2319 O OH . TYR B 42 ? 0.7122 0.6782 1.0276 0.0636 0.0567 0.0573 543 TYR B OH 2320 N N . ILE B 43 ? 0.7363 0.7293 1.0706 0.1195 0.0246 0.0661 544 ILE B N 2321 C CA . ILE B 43 ? 0.7548 0.7399 1.0807 0.1343 0.0181 0.0661 544 ILE B CA 2322 C C . ILE B 43 ? 0.7989 0.7424 1.0919 0.1383 0.0190 0.0638 544 ILE B C 2323 O O . ILE B 43 ? 0.7781 0.7028 1.0582 0.1273 0.0240 0.0624 544 ILE B O 2324 C CB . ILE B 43 ? 0.7482 0.7398 1.0818 0.1302 0.0084 0.0686 544 ILE B CB 2325 C CG1 . ILE B 43 ? 0.7434 0.7121 1.0637 0.1146 0.0071 0.0688 544 ILE B CG1 2326 C CG2 . ILE B 43 ? 0.7220 0.7541 1.0868 0.1259 0.0066 0.0710 544 ILE B CG2 2327 C CD1 . ILE B 43 ? 0.7448 0.7104 1.0639 0.1130 -0.0024 0.0707 544 ILE B CD1 2328 N N . GLU B 44 ? 0.8557 0.7846 1.1343 0.1539 0.0137 0.0633 545 GLU B N 2329 C CA . GLU B 44 ? 0.8982 0.7839 1.1418 0.1580 0.0135 0.0615 545 GLU B CA 2330 C C . GLU B 44 ? 0.9031 0.7689 1.1306 0.1639 0.0039 0.0627 545 GLU B C 2331 O O . GLU B 44 ? 0.9119 0.7990 1.1556 0.1709 -0.0031 0.0644 545 GLU B O 2332 C CB . GLU B 44 ? 0.9425 0.8192 1.1740 0.1744 0.0179 0.0586 545 GLU B CB 2333 C CG . GLU B 44 ? 0.9759 0.8748 1.2200 0.1961 0.0138 0.0583 545 GLU B CG 2334 C CD . GLU B 44 ? 1.0445 0.9252 1.2686 0.2150 0.0169 0.0548 545 GLU B CD 2335 O OE1 . GLU B 44 ? 1.0855 0.9220 1.2746 0.2158 0.0166 0.0533 545 GLU B OE1 2336 O OE2 . GLU B 44 ? 1.0860 0.9968 1.3287 0.2291 0.0196 0.0533 545 GLU B OE2 2337 N N . GLY B 45 ? 0.9155 0.7397 1.1098 0.1598 0.0036 0.0620 546 GLY B N 2338 C CA . GLY B 45 ? 0.9317 0.7276 1.1019 0.1662 -0.0048 0.0631 546 GLY B CA 2339 C C . GLY B 45 ? 0.9677 0.7163 1.0977 0.1675 -0.0029 0.0614 546 GLY B C 2340 O O . GLY B 45 ? 0.9431 0.6823 1.0660 0.1593 0.0048 0.0595 546 GLY B O 2341 N N . LEU B 46 ? 1.0330 0.7508 1.1355 0.1778 -0.0109 0.0621 547 LEU B N 2342 C CA . LEU B 46 ? 1.0937 0.7604 1.1524 0.1787 -0.0108 0.0610 547 LEU B CA 2343 C C . LEU B 46 ? 1.1343 0.7712 1.1680 0.1692 -0.0164 0.0633 547 LEU B C 2344 O O . LEU B 46 ? 1.1376 0.7804 1.1753 0.1777 -0.0252 0.0653 547 LEU B O 2345 C CB . LEU B 46 ? 1.1307 0.7824 1.1733 0.2047 -0.0155 0.0592 547 LEU B CB 2346 C CG . LEU B 46 ? 1.1889 0.7835 1.1822 0.2085 -0.0163 0.0578 547 LEU B CG 2347 C CD1 . LEU B 46 ? 1.1903 0.7704 1.1730 0.1901 -0.0062 0.0561 547 LEU B CD1 2348 C CD2 . LEU B 46 ? 1.2166 0.8034 1.1995 0.2374 -0.0209 0.0552 547 LEU B CD2 2349 N N . MET B 47 ? 1.1835 0.7895 1.1915 0.1510 -0.0112 0.0631 548 MET B N 2350 C CA . MET B 47 ? 1.2190 0.7954 1.2006 0.1382 -0.0142 0.0651 548 MET B CA 2351 C C . MET B 47 ? 1.2359 0.7572 1.1686 0.1361 -0.0141 0.0646 548 MET B C 2352 O O . MET B 47 ? 1.2285 0.7385 1.1520 0.1298 -0.0073 0.0625 548 MET B O 2353 C CB . MET B 47 ? 1.2495 0.8445 1.2478 0.1140 -0.0067 0.0650 548 MET B CB 2354 C CG . MET B 47 ? 1.2806 0.9101 1.3090 0.1115 -0.0101 0.0667 548 MET B CG 2355 S SD . MET B 47 ? 1.4022 1.0026 1.4024 0.1040 -0.0162 0.0693 548 MET B SD 2356 C CE . MET B 47 ? 1.4251 0.9955 1.3966 0.0790 -0.0061 0.0679 548 MET B CE 2357 N N . HIS B 48 ? 1.2446 0.7299 1.1442 0.1406 -0.0220 0.0668 549 HIS B N 2358 C CA . HIS B 48 ? 1.2759 0.7028 1.1233 0.1372 -0.0231 0.0670 549 HIS B CA 2359 C C . HIS B 48 ? 1.2623 0.6688 1.0892 0.1108 -0.0187 0.0686 549 HIS B C 2360 O O . HIS B 48 ? 1.2135 0.6499 1.0656 0.0993 -0.0163 0.0695 549 HIS B O 2361 C CB . HIS B 48 ? 1.3215 0.7178 1.1412 0.1614 -0.0354 0.0681 549 HIS B CB 2362 C CG . HIS B 48 ? 1.3195 0.7404 1.1613 0.1884 -0.0392 0.0659 549 HIS B CG 2363 N ND1 . HIS B 48 ? 1.3158 0.7356 1.1575 0.1947 -0.0336 0.0627 549 HIS B ND1 2364 C CD2 . HIS B 48 ? 1.3108 0.7607 1.1769 0.2101 -0.0476 0.0660 549 HIS B CD2 2365 C CE1 . HIS B 48 ? 1.3102 0.7572 1.1744 0.2197 -0.0376 0.0609 549 HIS B CE1 2366 N NE2 . HIS B 48 ? 1.3013 0.7683 1.1817 0.2292 -0.0462 0.0628 549 HIS B NE2 2367 N N . ASN B 49 ? 1.3023 0.6574 1.0823 0.1011 -0.0176 0.0689 550 ASN B N 2368 C CA . ASN B 49 ? 1.3040 0.6417 1.0645 0.0724 -0.0106 0.0698 550 ASN B CA 2369 C C . ASN B 49 ? 1.3444 0.6573 1.0789 0.0677 -0.0160 0.0732 550 ASN B C 2370 O O . ASN B 49 ? 1.4054 0.6764 1.0985 0.0510 -0.0138 0.0745 550 ASN B O 2371 C CB . ASN B 49 ? 1.3295 0.6246 1.0515 0.0606 -0.0062 0.0685 550 ASN B CB 2372 C CG . ASN B 49 ? 1.3193 0.6152 1.0369 0.0285 0.0042 0.0678 550 ASN B CG 2373 O OD1 . ASN B 49 ? 1.2719 0.6125 1.0274 0.0171 0.0106 0.0666 550 ASN B OD1 2374 N ND2 . ASN B 49 ? 1.3707 0.6169 1.0410 0.0139 0.0056 0.0685 550 ASN B ND2 2375 N N . GLN B 50 ? 1.3380 0.6771 1.0963 0.0808 -0.0227 0.0746 551 GLN B N 2376 C CA . GLN B 50 ? 1.3662 0.6869 1.1040 0.0766 -0.0281 0.0777 551 GLN B CA 2377 C C . GLN B 50 ? 1.3372 0.6693 1.0797 0.0480 -0.0173 0.0773 551 GLN B C 2378 O O . GLN B 50 ? 1.2898 0.6654 1.0715 0.0391 -0.0093 0.0748 551 GLN B O 2379 C CB . GLN B 50 ? 1.3665 0.7201 1.1353 0.0963 -0.0377 0.0787 551 GLN B CB 2380 C CG . GLN B 50 ? 1.4192 0.7582 1.1707 0.0936 -0.0444 0.0817 551 GLN B CG 2381 C CD . GLN B 50 ? 1.5095 0.7850 1.2020 0.0980 -0.0526 0.0845 551 GLN B CD 2382 O OE1 . GLN B 50 ? 1.5570 0.8000 1.2232 0.1116 -0.0573 0.0842 551 GLN B OE1 2383 N NE2 . GLN B 50 ? 1.5400 0.7956 1.2093 0.0871 -0.0545 0.0871 551 GLN B NE2 2384 N N . ASP B 51 ? 1.3737 0.6657 1.0744 0.0341 -0.0171 0.0796 552 ASP B N 2385 C CA . ASP B 51 ? 1.3789 0.6765 1.0766 0.0058 -0.0059 0.0790 552 ASP B CA 2386 C C . ASP B 51 ? 1.3640 0.6693 1.0671 -0.0133 0.0059 0.0759 552 ASP B C 2387 O O . ASP B 51 ? 1.3483 0.6751 1.0641 -0.0346 0.0161 0.0740 552 ASP B O 2388 C CB . ASP B 51 ? 1.3376 0.6830 1.0761 0.0041 -0.0042 0.0782 552 ASP B CB 2389 C CG . ASP B 51 ? 1.3686 0.7041 1.0979 0.0183 -0.0157 0.0813 552 ASP B CG 2390 O OD1 . ASP B 51 ? 1.3491 0.7249 1.1161 0.0257 -0.0185 0.0807 552 ASP B OD1 2391 O OD2 . ASP B 51 ? 1.4119 0.6986 1.0953 0.0216 -0.0225 0.0844 552 ASP B OD2 2392 N N . GLY B 52 ? 1.3714 0.6584 1.0634 -0.0053 0.0042 0.0751 553 GLY B N 2393 C CA . GLY B 52 ? 1.3515 0.6492 1.0527 -0.0201 0.0137 0.0718 553 GLY B CA 2394 C C . GLY B 52 ? 1.2783 0.6370 1.0351 -0.0233 0.0204 0.0683 553 GLY B C 2395 O O . GLY B 52 ? 1.2565 0.6287 1.0222 -0.0414 0.0294 0.0654 553 GLY B O 2396 N N . LEU B 53 ? 1.2541 0.6481 1.0467 -0.0057 0.0154 0.0686 554 LEU B N 2397 C CA . LEU B 53 ? 1.1842 0.6342 1.0275 -0.0084 0.0205 0.0659 554 LEU B CA 2398 C C . LEU B 53 ? 1.1372 0.6076 1.0028 -0.0073 0.0249 0.0628 554 LEU B C 2399 O O . LEU B 53 ? 1.1114 0.6102 0.9997 -0.0215 0.0325 0.0598 554 LEU B O 2400 C CB . LEU B 53 ? 1.1737 0.6508 1.0449 0.0100 0.0127 0.0675 554 LEU B CB 2401 C CG . LEU B 53 ? 1.1452 0.6767 1.0672 0.0118 0.0153 0.0653 554 LEU B CG 2402 C CD1 . LEU B 53 ? 1.1290 0.6828 1.0649 -0.0091 0.0245 0.0625 554 LEU B CD1 2403 C CD2 . LEU B 53 ? 1.1403 0.6894 1.0806 0.0282 0.0062 0.0675 554 LEU B CD2 2404 N N . ILE B 54 ? 1.1484 0.6029 1.0053 0.0099 0.0198 0.0632 555 ILE B N 2405 C CA . ILE B 54 ? 1.1166 0.5873 0.9915 0.0128 0.0235 0.0604 555 ILE B CA 2406 C C . ILE B 54 ? 1.1274 0.5825 0.9845 -0.0095 0.0313 0.0580 555 ILE B C 2407 O O . ILE B 54 ? 1.1132 0.5983 0.9967 -0.0181 0.0372 0.0550 555 ILE B O 2408 C CB . ILE B 54 ? 1.1278 0.5793 0.9908 0.0365 0.0169 0.0609 555 ILE B CB 2409 C CG1 . ILE B 54 ? 1.1130 0.5858 0.9975 0.0592 0.0089 0.0628 555 ILE B CG1 2410 C CG2 . ILE B 54 ? 1.1016 0.5675 0.9798 0.0384 0.0216 0.0578 555 ILE B CG2 2411 C CD1 . ILE B 54 ? 1.0657 0.5934 0.9999 0.0588 0.0112 0.0622 555 ILE B CD1 2412 N N . CYS B 55 ? 1.1884 0.5960 0.9998 -0.0194 0.0308 0.0594 556 CYS B N 2413 C CA . CYS B 55 ? 1.2156 0.6070 1.0077 -0.0428 0.0378 0.0573 556 CYS B CA 2414 C C . CYS B 55 ? 1.1899 0.6138 1.0033 -0.0657 0.0462 0.0552 556 CYS B C 2415 O O . CYS B 55 ? 1.1911 0.6302 1.0149 -0.0812 0.0525 0.0518 556 CYS B O 2416 C CB . CYS B 55 ? 1.2819 0.6112 1.0164 -0.0493 0.0349 0.0596 556 CYS B CB 2417 S SG . CYS B 55 ? 1.3379 0.6245 1.0422 -0.0236 0.0258 0.0603 556 CYS B SG 2418 N N . GLY B 56 ? 1.1773 0.6127 0.9974 -0.0669 0.0459 0.0568 557 GLY B N 2419 C CA . GLY B 56 ? 1.1421 0.6126 0.9856 -0.0849 0.0538 0.0543 557 GLY B CA 2420 C C . GLY B 56 ? 1.0808 0.6035 0.9740 -0.0797 0.0560 0.0508 557 GLY B C 2421 O O . GLY B 56 ? 1.0617 0.6103 0.9724 -0.0953 0.0629 0.0469 557 GLY B O 2422 N N . LEU B 57 ? 1.0498 0.5873 0.9645 -0.0576 0.0497 0.0522 558 LEU B N 2423 C CA . LEU B 57 ? 1.0033 0.5849 0.9615 -0.0501 0.0504 0.0497 558 LEU B CA 2424 C C . LEU B 57 ? 0.9886 0.5761 0.9523 -0.0578 0.0547 0.0463 558 LEU B C 2425 O O . LEU B 57 ? 0.9500 0.5719 0.9421 -0.0652 0.0588 0.0428 558 LEU B O 2426 C CB . LEU B 57 ? 1.0121 0.5995 0.9835 -0.0256 0.0426 0.0524 558 LEU B CB 2427 C CG . LEU B 57 ? 0.9986 0.6293 1.0119 -0.0157 0.0407 0.0521 558 LEU B CG 2428 C CD1 . LEU B 57 ? 0.9835 0.6349 1.0104 -0.0255 0.0428 0.0512 558 LEU B CD1 2429 C CD2 . LEU B 57 ? 1.0194 0.6461 1.0346 0.0060 0.0325 0.0555 558 LEU B CD2 2430 N N . ARG B 58 ? 1.0158 0.5681 0.9506 -0.0554 0.0530 0.0471 559 ARG B N 2431 C CA . ARG B 58 ? 1.0189 0.5709 0.9532 -0.0636 0.0564 0.0439 559 ARG B CA 2432 C C . ARG B 58 ? 1.0220 0.5822 0.9544 -0.0895 0.0633 0.0406 559 ARG B C 2433 O O . ARG B 58 ? 1.0108 0.5997 0.9671 -0.0966 0.0666 0.0368 559 ARG B O 2434 C CB . ARG B 58 ? 1.0504 0.5563 0.9468 -0.0575 0.0530 0.0452 559 ARG B CB 2435 C CG . ARG B 58 ? 1.0503 0.5538 0.9522 -0.0305 0.0469 0.0472 559 ARG B CG 2436 C CD . ARG B 58 ? 1.0907 0.5507 0.9567 -0.0222 0.0438 0.0473 559 ARG B CD 2437 N NE . ARG B 58 ? 1.0836 0.5417 0.9531 0.0049 0.0378 0.0491 559 ARG B NE 2438 C CZ . ARG B 58 ? 1.0608 0.5520 0.9630 0.0202 0.0378 0.0481 559 ARG B CZ 2439 N NH1 . ARG B 58 ? 1.0663 0.5561 0.9701 0.0443 0.0325 0.0496 559 ARG B NH1 2440 N NH2 . ARG B 58 ? 1.0314 0.5579 0.9645 0.0119 0.0429 0.0456 559 ARG B NH2 2441 N N . GLN B 59 ? 1.0455 0.5812 0.9495 -0.1033 0.0653 0.0421 560 GLN B N 2442 C CA . GLN B 59 ? 1.0536 0.5986 0.9547 -0.1292 0.0727 0.0390 560 GLN B CA 2443 C C . GLN B 59 ? 1.0059 0.6011 0.9468 -0.1325 0.0768 0.0358 560 GLN B C 2444 O O . GLN B 59 ? 0.9963 0.6162 0.9516 -0.1485 0.0824 0.0313 560 GLN B O 2445 C CB . GLN B 59 ? 1.1063 0.6120 0.9655 -0.1424 0.0742 0.0419 560 GLN B CB 2446 C CG . GLN B 59 ? 1.1243 0.6370 0.9760 -0.1715 0.0828 0.0390 560 GLN B CG 2447 C CD . GLN B 59 ? 1.1470 0.6569 0.9937 -0.1868 0.0852 0.0357 560 GLN B CD 2448 O OE1 . GLN B 59 ? 1.1713 0.6520 0.9995 -0.1793 0.0804 0.0369 560 GLN B OE1 2449 N NE2 . GLN B 59 ? 1.1447 0.6859 1.0076 -0.2080 0.0926 0.0311 560 GLN B NE2 2450 N N . LEU B 60 ? 0.9885 0.5984 0.9463 -0.1174 0.0736 0.0378 561 LEU B N 2451 C CA . LEU B 60 ? 0.9553 0.6088 0.9479 -0.1185 0.0765 0.0348 561 LEU B CA 2452 C C . LEU B 60 ? 0.9371 0.6261 0.9643 -0.1148 0.0767 0.0308 561 LEU B C 2453 O O . LEU B 60 ? 0.9301 0.6500 0.9773 -0.1258 0.0814 0.0260 561 LEU B O 2454 C CB . LEU B 60 ? 0.9369 0.5950 0.9384 -0.1018 0.0714 0.0380 561 LEU B CB 2455 C CG . LEU B 60 ? 0.8981 0.5969 0.9326 -0.1003 0.0730 0.0352 561 LEU B CG 2456 C CD1 . LEU B 60 ? 0.8940 0.6039 0.9248 -0.1197 0.0812 0.0314 561 LEU B CD1 2457 C CD2 . LEU B 60 ? 0.8897 0.5867 0.9281 -0.0844 0.0666 0.0389 561 LEU B CD2 2458 N N . ALA B 61 ? 0.9417 0.6260 0.9749 -0.0987 0.0714 0.0327 562 ALA B N 2459 C CA . ALA B 61 ? 0.8999 0.6122 0.9616 -0.0940 0.0708 0.0296 562 ALA B CA 2460 C C . ALA B 61 ? 0.9002 0.6146 0.9575 -0.1112 0.0749 0.0253 562 ALA B C 2461 O O . ALA B 61 ? 0.8985 0.6450 0.9818 -0.1146 0.0762 0.0211 562 ALA B O 2462 C CB . ALA B 61 ? 0.8868 0.5889 0.9496 -0.0748 0.0655 0.0327 562 ALA B CB 2463 N N . ASN B 62 ? 0.9229 0.6022 0.9463 -0.1222 0.0763 0.0263 563 ASN B N 2464 C CA . ASN B 62 ? 0.9559 0.6344 0.9717 -0.1412 0.0798 0.0224 563 ASN B CA 2465 C C . ASN B 62 ? 0.9341 0.6446 0.9660 -0.1588 0.0858 0.0178 563 ASN B C 2466 O O . ASN B 62 ? 0.9057 0.6442 0.9577 -0.1670 0.0873 0.0128 563 ASN B O 2467 C CB . ASN B 62 ? 1.0296 0.6582 1.0002 -0.1505 0.0796 0.0250 563 ASN B CB 2468 C CG . ASN B 62 ? 1.0690 0.6943 1.0272 -0.1754 0.0836 0.0212 563 ASN B CG 2469 O OD1 . ASN B 62 ? 1.0537 0.6842 1.0055 -0.1944 0.0890 0.0198 563 ASN B OD1 2470 N ND2 . ASN B 62 ? 1.1423 0.7596 1.0966 -0.1758 0.0811 0.0195 563 ASN B ND2 2471 N N . GLU B 63 ? 0.9381 0.6445 0.9606 -0.1639 0.0889 0.0194 564 GLU B N 2472 C CA . GLU B 63 ? 0.9225 0.6586 0.9578 -0.1798 0.0957 0.0149 564 GLU B CA 2473 C C . GLU B 63 ? 0.8646 0.6475 0.9411 -0.1696 0.0953 0.0110 564 GLU B C 2474 O O . GLU B 63 ? 0.8463 0.6615 0.9403 -0.1808 0.1001 0.0054 564 GLU B O 2475 C CB . GLU B 63 ? 0.9629 0.6784 0.9737 -0.1861 0.0992 0.0181 564 GLU B CB 2476 C CG . GLU B 63 ? 1.0312 0.7014 0.9979 -0.2023 0.1010 0.0210 564 GLU B CG 2477 C CD . GLU B 63 ? 1.0843 0.7296 1.0231 -0.2074 0.1036 0.0247 564 GLU B CD 2478 O OE1 . GLU B 63 ? 1.0984 0.7649 1.0540 -0.1996 0.1046 0.0244 564 GLU B OE1 2479 O OE2 . GLU B 63 ? 1.1235 0.7259 1.0215 -0.2193 0.1042 0.0279 564 GLU B OE2 2480 N N . THR B 64 ? 0.8346 0.6206 0.9256 -0.1484 0.0893 0.0137 565 THR B N 2481 C CA . THR B 64 ? 0.7854 0.6097 0.9120 -0.1371 0.0874 0.0107 565 THR B CA 2482 C C . THR B 64 ? 0.7570 0.6075 0.9060 -0.1389 0.0863 0.0056 565 THR B C 2483 O O . THR B 64 ? 0.7082 0.5933 0.8843 -0.1359 0.0862 0.0010 565 THR B O 2484 C CB . THR B 64 ? 0.7649 0.5818 0.8976 -0.1158 0.0808 0.0157 565 THR B CB 2485 O OG1 . THR B 64 ? 0.8057 0.6023 0.9199 -0.1139 0.0809 0.0197 565 THR B OG1 2486 C CG2 . THR B 64 ? 0.7202 0.5711 0.8857 -0.1047 0.0778 0.0132 565 THR B CG2 2487 N N . THR B 65 ? 0.7745 0.6069 0.9104 -0.1435 0.0850 0.0062 566 THR B N 2488 C CA . THR B 65 ? 0.7739 0.6248 0.9281 -0.1413 0.0820 0.0026 566 THR B CA 2489 C C . THR B 65 ? 0.7671 0.6552 0.9425 -0.1530 0.0847 -0.0047 566 THR B C 2490 O O . THR B 65 ? 0.7465 0.6610 0.9469 -0.1448 0.0811 -0.0081 566 THR B O 2491 C CB . THR B 65 ? 0.8040 0.6250 0.9357 -0.1456 0.0804 0.0042 566 THR B CB 2492 O OG1 . THR B 65 ? 0.8263 0.6108 0.9340 -0.1358 0.0787 0.0105 566 THR B OG1 2493 C CG2 . THR B 65 ? 0.8008 0.6357 0.9501 -0.1370 0.0758 0.0022 566 THR B CG2 2494 N N . GLN B 66 ? 0.8048 0.6953 0.9698 -0.1720 0.0908 -0.0074 567 GLN B N 2495 C CA . GLN B 66 ? 0.8089 0.7384 0.9949 -0.1838 0.0939 -0.0151 567 GLN B CA 2496 C C . GLN B 66 ? 0.7669 0.7327 0.9824 -0.1716 0.0934 -0.0189 567 GLN B C 2497 O O . GLN B 66 ? 0.7241 0.7192 0.9645 -0.1655 0.0897 -0.0239 567 GLN B O 2498 C CB . GLN B 66 ? 0.8534 0.7793 1.0217 -0.2077 0.1018 -0.0169 567 GLN B CB 2499 C CG . GLN B 66 ? 0.8683 0.8409 1.0615 -0.2191 0.1059 -0.0255 567 GLN B CG 2500 C CD . GLN B 66 ? 0.9153 0.8881 1.0924 -0.2461 0.1138 -0.0278 567 GLN B CD 2501 O OE1 . GLN B 66 ? 0.9612 0.8954 1.1055 -0.2587 0.1153 -0.0231 567 GLN B OE1 2502 N NE2 . GLN B 66 ? 0.9216 0.9385 1.1212 -0.2553 0.1188 -0.0354 567 GLN B NE2 2503 N N . ALA B 67 ? 0.7649 0.7259 0.9747 -0.1684 0.0968 -0.0166 568 ALA B N 2504 C CA . ALA B 67 ? 0.7459 0.7343 0.9781 -0.1559 0.0961 -0.0196 568 ALA B CA 2505 C C . ALA B 67 ? 0.7226 0.7157 0.9722 -0.1359 0.0876 -0.0183 568 ALA B C 2506 O O . ALA B 67 ? 0.7094 0.7322 0.9826 -0.1280 0.0849 -0.0234 568 ALA B O 2507 C CB . ALA B 67 ? 0.7607 0.7331 0.9779 -0.1541 0.0996 -0.0157 568 ALA B CB 2508 N N . LEU B 68 ? 0.7239 0.6874 0.9607 -0.1278 0.0833 -0.0115 569 LEU B N 2509 C CA . LEU B 68 ? 0.7023 0.6679 0.9529 -0.1104 0.0760 -0.0094 569 LEU B CA 2510 C C . LEU B 68 ? 0.6868 0.6713 0.9532 -0.1103 0.0725 -0.0141 569 LEU B C 2511 O O . LEU B 68 ? 0.6734 0.6772 0.9591 -0.0994 0.0678 -0.0165 569 LEU B O 2512 C CB . LEU B 68 ? 0.7021 0.6345 0.9356 -0.1026 0.0733 -0.0016 569 LEU B CB 2513 C CG . LEU B 68 ? 0.6881 0.6222 0.9344 -0.0858 0.0668 0.0013 569 LEU B CG 2514 C CD1 . LEU B 68 ? 0.6802 0.6334 0.9439 -0.0764 0.0641 0.0003 569 LEU B CD1 2515 C CD2 . LEU B 68 ? 0.7090 0.6140 0.9389 -0.0783 0.0653 0.0084 569 LEU B CD2 2516 N N . GLN B 69 ? 0.7051 0.6822 0.9612 -0.1228 0.0741 -0.0154 570 GLN B N 2517 C CA . GLN B 69 ? 0.6959 0.6890 0.9645 -0.1241 0.0701 -0.0200 570 GLN B CA 2518 C C . GLN B 69 ? 0.6635 0.6965 0.9560 -0.1258 0.0699 -0.0282 570 GLN B C 2519 O O . GLN B 69 ? 0.6485 0.6986 0.9580 -0.1163 0.0638 -0.0313 570 GLN B O 2520 C CB . GLN B 69 ? 0.7263 0.7019 0.9766 -0.1392 0.0717 -0.0201 570 GLN B CB 2521 C CG . GLN B 69 ? 0.7475 0.6850 0.9756 -0.1338 0.0699 -0.0134 570 GLN B CG 2522 C CD . GLN B 69 ? 0.7492 0.6865 0.9862 -0.1200 0.0637 -0.0123 570 GLN B CD 2523 O OE1 . GLN B 69 ? 0.7524 0.7142 1.0114 -0.1110 0.0598 -0.0151 570 GLN B OE1 2524 N NE2 . GLN B 69 ? 0.7645 0.6722 0.9821 -0.1177 0.0627 -0.0083 570 GLN B NE2 2525 N N . LEU B 70 ? 0.6599 0.7071 0.9527 -0.1372 0.0765 -0.0317 571 LEU B N 2526 C CA . LEU B 70 ? 0.6471 0.7353 0.9632 -0.1375 0.0773 -0.0403 571 LEU B CA 2527 C C . LEU B 70 ? 0.6296 0.7299 0.9613 -0.1180 0.0727 -0.0411 571 LEU B C 2528 O O . LEU B 70 ? 0.6218 0.7505 0.9738 -0.1107 0.0685 -0.0476 571 LEU B O 2529 C CB . LEU B 70 ? 0.6451 0.7453 0.9564 -0.1537 0.0868 -0.0435 571 LEU B CB 2530 C CG . LEU B 70 ? 0.6704 0.7649 0.9683 -0.1759 0.0910 -0.0444 571 LEU B CG 2531 C CD1 . LEU B 70 ? 0.6952 0.7922 0.9813 -0.1932 0.1013 -0.0454 571 LEU B CD1 2532 C CD2 . LEU B 70 ? 0.6556 0.7819 0.9734 -0.1807 0.0870 -0.0521 571 LEU B CD2 2533 N N . PHE B 71 ? 0.6251 0.7026 0.9462 -0.1097 0.0728 -0.0346 572 PHE B N 2534 C CA . PHE B 71 ? 0.6029 0.6863 0.9350 -0.0926 0.0678 -0.0343 572 PHE B CA 2535 C C . PHE B 71 ? 0.6088 0.6912 0.9500 -0.0807 0.0589 -0.0335 572 PHE B C 2536 O O . PHE B 71 ? 0.6106 0.7110 0.9667 -0.0698 0.0536 -0.0377 572 PHE B O 2537 C CB . PHE B 71 ? 0.6011 0.6589 0.9185 -0.0881 0.0692 -0.0270 572 PHE B CB 2538 C CG . PHE B 71 ? 0.5886 0.6464 0.9141 -0.0717 0.0629 -0.0253 572 PHE B CG 2539 C CD1 . PHE B 71 ? 0.5839 0.6589 0.9179 -0.0659 0.0632 -0.0300 572 PHE B CD1 2540 C CD2 . PHE B 71 ? 0.5805 0.6207 0.9041 -0.0625 0.0568 -0.0192 572 PHE B CD2 2541 C CE1 . PHE B 71 ? 0.5710 0.6428 0.9097 -0.0517 0.0566 -0.0284 572 PHE B CE1 2542 C CE2 . PHE B 71 ? 0.5727 0.6123 0.9025 -0.0495 0.0509 -0.0174 572 PHE B CE2 2543 C CZ . PHE B 71 ? 0.5706 0.6244 0.9071 -0.0444 0.0503 -0.0218 572 PHE B CZ 2544 N N . LEU B 72 ? 0.6280 0.6882 0.9583 -0.0826 0.0573 -0.0282 573 LEU B N 2545 C CA . LEU B 72 ? 0.6187 0.6758 0.9546 -0.0729 0.0498 -0.0270 573 LEU B CA 2546 C C . LEU B 72 ? 0.6225 0.7037 0.9721 -0.0746 0.0457 -0.0346 573 LEU B C 2547 O O . LEU B 72 ? 0.6180 0.7047 0.9763 -0.0638 0.0384 -0.0358 573 LEU B O 2548 C CB . LEU B 72 ? 0.6226 0.6503 0.9420 -0.0744 0.0501 -0.0200 573 LEU B CB 2549 C CG . LEU B 72 ? 0.6386 0.6438 0.9469 -0.0685 0.0517 -0.0124 573 LEU B CG 2550 C CD1 . LEU B 72 ? 0.6576 0.6362 0.9496 -0.0692 0.0525 -0.0067 573 LEU B CD1 2551 C CD2 . LEU B 72 ? 0.6232 0.6327 0.9418 -0.0547 0.0465 -0.0103 573 LEU B CD2 2552 N N . ARG B 73 ? 0.6343 0.7297 0.9850 -0.0887 0.0500 -0.0397 574 ARG B N 2553 C CA . ARG B 73 ? 0.6220 0.7462 0.9885 -0.0907 0.0459 -0.0480 574 ARG B CA 2554 C C . ARG B 73 ? 0.6183 0.7709 1.0037 -0.0787 0.0425 -0.0545 574 ARG B C 2555 O O . ARG B 73 ? 0.6316 0.7997 1.0293 -0.0699 0.0346 -0.0593 574 ARG B O 2556 C CB . ARG B 73 ? 0.6425 0.7788 1.0067 -0.1103 0.0521 -0.0522 574 ARG B CB 2557 C CG . ARG B 73 ? 0.6489 0.8211 1.0321 -0.1139 0.0482 -0.0618 574 ARG B CG 2558 C CD . ARG B 73 ? 0.6588 0.8457 1.0405 -0.1354 0.0555 -0.0658 574 ARG B CD 2559 N NE . ARG B 73 ? 0.6923 0.8492 1.0525 -0.1491 0.0569 -0.0606 574 ARG B NE 2560 C CZ . ARG B 73 ? 0.7105 0.8653 1.0595 -0.1703 0.0634 -0.0613 574 ARG B CZ 2561 N NH1 . ARG B 73 ? 0.7327 0.9166 1.0915 -0.1816 0.0703 -0.0669 574 ARG B NH1 2562 N NH2 . ARG B 73 ? 0.7166 0.8388 1.0428 -0.1806 0.0633 -0.0565 574 ARG B NH2 2563 N N . ALA B 74 ? 0.5990 0.7563 0.9848 -0.0776 0.0480 -0.0547 575 ALA B N 2564 C CA . ALA B 74 ? 0.5819 0.7648 0.9830 -0.0662 0.0457 -0.0615 575 ALA B CA 2565 C C . ALA B 74 ? 0.5684 0.7380 0.9693 -0.0478 0.0378 -0.0583 575 ALA B C 2566 O O . ALA B 74 ? 0.5678 0.7555 0.9800 -0.0359 0.0332 -0.0644 575 ALA B O 2567 C CB . ALA B 74 ? 0.5797 0.7734 0.9796 -0.0732 0.0553 -0.0637 575 ALA B CB 2568 N N . THR B 75 ? 0.5693 0.7077 0.9570 -0.0453 0.0362 -0.0492 576 THR B N 2569 C CA . THR B 75 ? 0.5827 0.7079 0.9693 -0.0303 0.0286 -0.0457 576 THR B CA 2570 C C . THR B 75 ? 0.5952 0.7173 0.9842 -0.0243 0.0200 -0.0458 576 THR B C 2571 O O . THR B 75 ? 0.6263 0.7450 1.0124 -0.0322 0.0207 -0.0450 576 THR B O 2572 C CB . THR B 75 ? 0.5888 0.6854 0.9617 -0.0300 0.0309 -0.0360 576 THR B CB 2573 O OG1 . THR B 75 ? 0.5971 0.6851 0.9700 -0.0173 0.0238 -0.0336 576 THR B OG1 2574 C CG2 . THR B 75 ? 0.6061 0.6818 0.9686 -0.0362 0.0322 -0.0292 576 THR B CG2 2575 N N . THR B 76 ? 0.6084 0.7299 1.0003 -0.0107 0.0117 -0.0470 577 THR B N 2576 C CA . THR B 76 ? 0.6236 0.7363 1.0136 -0.0039 0.0028 -0.0459 577 THR B CA 2577 C C . THR B 76 ? 0.6252 0.7095 1.0032 -0.0005 0.0008 -0.0364 577 THR B C 2578 O O . THR B 76 ? 0.6361 0.7100 1.0097 0.0035 -0.0053 -0.0344 577 THR B O 2579 C CB . THR B 76 ? 0.6384 0.7660 1.0365 0.0094 -0.0065 -0.0535 577 THR B CB 2580 O OG1 . THR B 76 ? 0.6334 0.7556 1.0290 0.0183 -0.0080 -0.0530 577 THR B OG1 2581 C CG2 . THR B 76 ? 0.6448 0.8057 1.0577 0.0071 -0.0056 -0.0639 577 THR B CG2 2582 N N . GLU B 77 ? 0.6207 0.6934 0.9933 -0.0021 0.0057 -0.0309 578 GLU B N 2583 C CA . GLU B 77 ? 0.6337 0.6830 0.9966 -0.0013 0.0053 -0.0216 578 GLU B CA 2584 C C . GLU B 77 ? 0.6199 0.6593 0.9769 -0.0085 0.0091 -0.0175 578 GLU B C 2585 O O . GLU B 77 ? 0.5969 0.6398 0.9529 -0.0173 0.0154 -0.0188 578 GLU B O 2586 C CB . GLU B 77 ? 0.6692 0.7103 1.0282 -0.0030 0.0100 -0.0168 578 GLU B CB 2587 C CG . GLU B 77 ? 0.6892 0.7316 1.0492 0.0047 0.0057 -0.0185 578 GLU B CG 2588 C CD . GLU B 77 ? 0.7003 0.7275 1.0537 0.0042 0.0070 -0.0112 578 GLU B CD 2589 O OE1 . GLU B 77 ? 0.7250 0.7393 1.0743 0.0074 0.0022 -0.0057 578 GLU B OE1 2590 O OE2 . GLU B 77 ? 0.7016 0.7302 1.0534 0.0003 0.0125 -0.0111 578 GLU B OE2 2591 N N . LEU B 78 ? 0.6251 0.6504 0.9763 -0.0052 0.0055 -0.0125 579 LEU B N 2592 C CA . LEU B 78 ? 0.6405 0.6547 0.9843 -0.0101 0.0089 -0.0086 579 LEU B CA 2593 C C . LEU B 78 ? 0.6402 0.6432 0.9782 -0.0141 0.0162 -0.0025 579 LEU B C 2594 O O . LEU B 78 ? 0.6687 0.6663 1.0008 -0.0203 0.0214 -0.0019 579 LEU B O 2595 C CB . LEU B 78 ? 0.6475 0.6506 0.9858 -0.0051 0.0035 -0.0053 579 LEU B CB 2596 C CG . LEU B 78 ? 0.6645 0.6748 1.0054 0.0002 -0.0053 -0.0111 579 LEU B CG 2597 C CD1 . LEU B 78 ? 0.6791 0.6740 1.0104 0.0039 -0.0100 -0.0066 579 LEU B CD1 2598 C CD2 . LEU B 78 ? 0.6611 0.6849 1.0064 -0.0039 -0.0057 -0.0182 579 LEU B CD2 2599 N N . ARG B 79 ? 0.6110 0.6099 0.9498 -0.0103 0.0157 0.0017 580 ARG B N 2600 C CA . ARG B 79 ? 0.6022 0.5919 0.9364 -0.0121 0.0210 0.0073 580 ARG B CA 2601 C C . ARG B 79 ? 0.5893 0.5839 0.9268 -0.0114 0.0210 0.0064 580 ARG B C 2602 O O . ARG B 79 ? 0.6015 0.5989 0.9427 -0.0064 0.0158 0.0060 580 ARG B O 2603 C CB . ARG B 79 ? 0.6174 0.5973 0.9490 -0.0082 0.0199 0.0143 580 ARG B CB 2604 C CG . ARG B 79 ? 0.6332 0.6082 0.9607 -0.0078 0.0192 0.0150 580 ARG B CG 2605 C CD . ARG B 79 ? 0.6528 0.6204 0.9777 -0.0051 0.0202 0.0219 580 ARG B CD 2606 N NE . ARG B 79 ? 0.6771 0.6398 0.9966 -0.0046 0.0195 0.0223 580 ARG B NE 2607 C CZ . ARG B 79 ? 0.6944 0.6517 1.0103 -0.0031 0.0215 0.0276 580 ARG B CZ 2608 N NH1 . ARG B 79 ? 0.6947 0.6532 1.0139 -0.0018 0.0240 0.0329 580 ARG B NH1 2609 N NH2 . ARG B 79 ? 0.7200 0.6718 1.0289 -0.0031 0.0210 0.0272 580 ARG B NH2 2610 N N . THR B 80 ? 0.5860 0.5788 0.9194 -0.0165 0.0266 0.0062 581 THR B N 2611 C CA . THR B 80 ? 0.5813 0.5775 0.9152 -0.0167 0.0276 0.0051 581 THR B CA 2612 C C . THR B 80 ? 0.5890 0.5727 0.9172 -0.0152 0.0286 0.0119 581 THR B C 2613 O O . THR B 80 ? 0.6182 0.5917 0.9384 -0.0180 0.0329 0.0151 581 THR B O 2614 C CB . THR B 80 ? 0.5920 0.5957 0.9240 -0.0246 0.0331 -0.0002 581 THR B CB 2615 O OG1 . THR B 80 ? 0.5833 0.6028 0.9232 -0.0255 0.0313 -0.0071 581 THR B OG1 2616 C CG2 . THR B 80 ? 0.6008 0.6076 0.9316 -0.0250 0.0348 -0.0016 581 THR B CG2 2617 N N . PHE B 81 ? 0.5824 0.5664 0.9138 -0.0103 0.0239 0.0139 582 PHE B N 2618 C CA . PHE B 81 ? 0.5687 0.5440 0.8965 -0.0085 0.0231 0.0198 582 PHE B CA 2619 C C . PHE B 81 ? 0.5839 0.5592 0.9086 -0.0088 0.0226 0.0180 582 PHE B C 2620 O O . PHE B 81 ? 0.5907 0.5588 0.9118 -0.0074 0.0211 0.0225 582 PHE B O 2621 C CB . PHE B 81 ? 0.5564 0.5307 0.8890 -0.0042 0.0173 0.0243 582 PHE B CB 2622 C CG . PHE B 81 ? 0.5542 0.5270 0.8881 -0.0037 0.0185 0.0272 582 PHE B CG 2623 C CD1 . PHE B 81 ? 0.5532 0.5210 0.8853 -0.0026 0.0211 0.0327 582 PHE B CD1 2624 C CD2 . PHE B 81 ? 0.5590 0.5354 0.8950 -0.0035 0.0168 0.0241 582 PHE B CD2 2625 C CE1 . PHE B 81 ? 0.5548 0.5216 0.8872 -0.0015 0.0230 0.0350 582 PHE B CE1 2626 C CE2 . PHE B 81 ? 0.5673 0.5408 0.9023 -0.0032 0.0183 0.0268 582 PHE B CE2 2627 C CZ . PHE B 81 ? 0.5679 0.5369 0.9010 -0.0023 0.0219 0.0322 582 PHE B CZ 2628 N N . SER B 82 ? 0.6030 0.5874 0.9288 -0.0104 0.0241 0.0114 583 SER B N 2629 C CA . SER B 82 ? 0.6067 0.5921 0.9292 -0.0094 0.0234 0.0090 583 SER B CA 2630 C C . SER B 82 ? 0.5957 0.5789 0.9093 -0.0158 0.0305 0.0073 583 SER B C 2631 O O . SER B 82 ? 0.6011 0.5844 0.9102 -0.0154 0.0308 0.0052 583 SER B O 2632 C CB . SER B 82 ? 0.6233 0.6209 0.9522 -0.0051 0.0200 0.0021 583 SER B CB 2633 O OG . SER B 82 ? 0.6747 0.6855 1.0089 -0.0082 0.0239 -0.0037 583 SER B OG 2634 N N . ILE B 83 ? 0.5919 0.5709 0.9005 -0.0221 0.0360 0.0082 584 ILE B N 2635 C CA . ILE B 83 ? 0.6032 0.5779 0.9003 -0.0301 0.0429 0.0066 584 ILE B CA 2636 C C . ILE B 83 ? 0.6182 0.5788 0.9037 -0.0289 0.0421 0.0106 584 ILE B C 2637 O O . ILE B 83 ? 0.6491 0.6118 0.9283 -0.0324 0.0455 0.0073 584 ILE B O 2638 C CB . ILE B 83 ? 0.6158 0.5820 0.9050 -0.0376 0.0480 0.0079 584 ILE B CB 2639 C CG1 . ILE B 83 ? 0.6046 0.5865 0.9034 -0.0415 0.0496 0.0023 584 ILE B CG1 2640 C CG2 . ILE B 83 ? 0.6404 0.5957 0.9128 -0.0468 0.0544 0.0078 584 ILE B CG2 2641 C CD1 . ILE B 83 ? 0.6169 0.5883 0.9075 -0.0480 0.0528 0.0039 584 ILE B CD1 2642 N N . LEU B 84 ? 0.6308 0.5786 0.9135 -0.0241 0.0377 0.0173 585 LEU B N 2643 C CA . LEU B 84 ? 0.6548 0.5892 0.9262 -0.0225 0.0356 0.0212 585 LEU B CA 2644 C C . LEU B 84 ? 0.6588 0.5982 0.9329 -0.0186 0.0311 0.0193 585 LEU B C 2645 O O . LEU B 84 ? 0.6743 0.6066 0.9366 -0.0207 0.0326 0.0186 585 LEU B O 2646 C CB . LEU B 84 ? 0.6754 0.5982 0.9449 -0.0173 0.0312 0.0283 585 LEU B CB 2647 C CG . LEU B 84 ? 0.6986 0.6094 0.9584 -0.0198 0.0355 0.0304 585 LEU B CG 2648 C CD1 . LEU B 84 ? 0.7063 0.6084 0.9654 -0.0121 0.0307 0.0367 585 LEU B CD1 2649 C CD2 . LEU B 84 ? 0.7052 0.6024 0.9457 -0.0280 0.0415 0.0289 585 LEU B CD2 2650 N N . ASN B 85 ? 0.6530 0.6023 0.9398 -0.0133 0.0256 0.0183 586 ASN B N 2651 C CA . ASN B 85 ? 0.6563 0.6079 0.9432 -0.0094 0.0209 0.0157 586 ASN B CA 2652 C C . ASN B 85 ? 0.6566 0.6167 0.9399 -0.0118 0.0266 0.0080 586 ASN B C 2653 O O . ASN B 85 ? 0.6417 0.5977 0.9167 -0.0104 0.0259 0.0063 586 ASN B O 2654 C CB . ASN B 85 ? 0.6548 0.6127 0.9531 -0.0040 0.0139 0.0155 586 ASN B CB 2655 C CG . ASN B 85 ? 0.6688 0.6194 0.9695 -0.0018 0.0071 0.0229 586 ASN B CG 2656 O OD1 . ASN B 85 ? 0.7068 0.6491 1.0022 -0.0026 0.0065 0.0278 586 ASN B OD1 2657 N ND2 . ASN B 85 ? 0.6720 0.6262 0.9805 0.0007 0.0017 0.0236 586 ASN B ND2 2658 N N . ARG B 86 ? 0.6718 0.6448 0.9613 -0.0155 0.0325 0.0033 587 ARG B N 2659 C CA . ARG B 86 ? 0.6776 0.6639 0.9662 -0.0186 0.0390 -0.0043 587 ARG B CA 2660 C C . ARG B 86 ? 0.6918 0.6687 0.9645 -0.0266 0.0461 -0.0035 587 ARG B C 2661 O O . ARG B 86 ? 0.7124 0.6944 0.9795 -0.0275 0.0499 -0.0082 587 ARG B O 2662 C CB . ARG B 86 ? 0.6937 0.6980 0.9939 -0.0217 0.0428 -0.0096 587 ARG B CB 2663 C CG . ARG B 86 ? 0.7408 0.7659 1.0455 -0.0222 0.0478 -0.0189 587 ARG B CG 2664 C CD . ARG B 86 ? 0.7719 0.8180 1.0900 -0.0248 0.0502 -0.0246 587 ARG B CD 2665 N NE . ARG B 86 ? 0.8083 0.8766 1.1297 -0.0290 0.0578 -0.0332 587 ARG B NE 2666 C CZ . ARG B 86 ? 0.8303 0.9232 1.1650 -0.0311 0.0602 -0.0402 587 ARG B CZ 2667 N NH1 . ARG B 86 ? 0.8345 0.9505 1.1731 -0.0349 0.0676 -0.0482 587 ARG B NH1 2668 N NH2 . ARG B 86 ? 0.8463 0.9421 1.1904 -0.0299 0.0554 -0.0394 587 ARG B NH2 2669 N N . LYS B 87 ? 0.6984 0.6600 0.9619 -0.0320 0.0478 0.0024 588 LYS B N 2670 C CA . LYS B 87 ? 0.7142 0.6606 0.9580 -0.0392 0.0531 0.0043 588 LYS B CA 2671 C C . LYS B 87 ? 0.7074 0.6409 0.9405 -0.0342 0.0484 0.0068 588 LYS B C 2672 O O . LYS B 87 ? 0.7234 0.6523 0.9424 -0.0388 0.0533 0.0047 588 LYS B O 2673 C CB . LYS B 87 ? 0.7339 0.6628 0.9675 -0.0441 0.0544 0.0101 588 LYS B CB 2674 C CG . LYS B 87 ? 0.7525 0.6896 0.9888 -0.0529 0.0610 0.0070 588 LYS B CG 2675 C CD . LYS B 87 ? 0.7934 0.7077 1.0121 -0.0590 0.0632 0.0120 588 LYS B CD 2676 C CE . LYS B 87 ? 0.8028 0.7236 1.0214 -0.0701 0.0698 0.0085 588 LYS B CE 2677 N NZ . LYS B 87 ? 0.8141 0.7482 1.0295 -0.0813 0.0781 0.0023 588 LYS B NZ 2678 N N . ALA B 88 ? 0.6733 0.6014 0.9124 -0.0258 0.0389 0.0113 589 ALA B N 2679 C CA . ALA B 88 ? 0.6646 0.5822 0.8954 -0.0208 0.0325 0.0132 589 ALA B CA 2680 C C . ALA B 88 ? 0.6568 0.5843 0.8873 -0.0187 0.0342 0.0061 589 ALA B C 2681 O O . ALA B 88 ? 0.6758 0.5941 0.8913 -0.0196 0.0353 0.0052 589 ALA B O 2682 C CB . ALA B 88 ? 0.6543 0.5693 0.8950 -0.0137 0.0221 0.0184 589 ALA B CB 2683 N N . ILE B 89 ? 0.6455 0.5912 0.8911 -0.0153 0.0343 0.0007 590 ILE B N 2684 C CA . ILE B 89 ? 0.6400 0.5968 0.8860 -0.0109 0.0356 -0.0071 590 ILE B CA 2685 C C . ILE B 89 ? 0.6488 0.6126 0.8855 -0.0183 0.0471 -0.0123 590 ILE B C 2686 O O . ILE B 89 ? 0.6617 0.6222 0.8867 -0.0167 0.0489 -0.0156 590 ILE B O 2687 C CB . ILE B 89 ? 0.6117 0.5860 0.8750 -0.0045 0.0326 -0.0122 590 ILE B CB 2688 C CG1 . ILE B 89 ? 0.5948 0.5591 0.8630 0.0018 0.0211 -0.0070 590 ILE B CG1 2689 C CG2 . ILE B 89 ? 0.6175 0.6050 0.8806 0.0013 0.0349 -0.0216 590 ILE B CG2 2690 C CD1 . ILE B 89 ? 0.5769 0.5533 0.8600 0.0060 0.0179 -0.0093 590 ILE B CD1 2691 N N . ASP B 90 ? 0.6575 0.6300 0.8978 -0.0271 0.0549 -0.0130 591 ASP B N 2692 C CA . ASP B 90 ? 0.6871 0.6659 0.9173 -0.0374 0.0666 -0.0172 591 ASP B CA 2693 C C . ASP B 90 ? 0.7168 0.6713 0.9225 -0.0427 0.0686 -0.0124 591 ASP B C 2694 O O . ASP B 90 ? 0.7450 0.7022 0.9390 -0.0473 0.0762 -0.0166 591 ASP B O 2695 C CB . ASP B 90 ? 0.6883 0.6779 0.9252 -0.0477 0.0734 -0.0180 591 ASP B CB 2696 C CG . ASP B 90 ? 0.6841 0.7026 0.9433 -0.0440 0.0737 -0.0253 591 ASP B CG 2697 O OD1 . ASP B 90 ? 0.6950 0.7292 0.9616 -0.0357 0.0728 -0.0320 591 ASP B OD1 2698 O OD2 . ASP B 90 ? 0.7201 0.7447 0.9882 -0.0487 0.0744 -0.0246 591 ASP B OD2 2699 N N . PHE B 91 ? 0.7262 0.6578 0.9240 -0.0415 0.0617 -0.0039 592 PHE B N 2700 C CA . PHE B 91 ? 0.7521 0.6584 0.9260 -0.0440 0.0607 0.0009 592 PHE B CA 2701 C C . PHE B 91 ? 0.7630 0.6676 0.9294 -0.0378 0.0582 -0.0023 592 PHE B C 2702 O O . PHE B 91 ? 0.7999 0.6970 0.9475 -0.0430 0.0644 -0.0042 592 PHE B O 2703 C CB . PHE B 91 ? 0.7548 0.6412 0.9261 -0.0397 0.0511 0.0097 592 PHE B CB 2704 C CG . PHE B 91 ? 0.7867 0.6465 0.9332 -0.0412 0.0485 0.0149 592 PHE B CG 2705 C CD1 . PHE B 91 ? 0.8013 0.6427 0.9295 -0.0490 0.0527 0.0187 592 PHE B CD1 2706 C CD2 . PHE B 91 ? 0.8029 0.6534 0.9421 -0.0346 0.0409 0.0159 592 PHE B CD2 2707 C CE1 . PHE B 91 ? 0.8241 0.6387 0.9272 -0.0494 0.0493 0.0234 592 PHE B CE1 2708 C CE2 . PHE B 91 ? 0.8263 0.6518 0.9418 -0.0355 0.0376 0.0205 592 PHE B CE2 2709 C CZ . PHE B 91 ? 0.8446 0.6522 0.9421 -0.0425 0.0417 0.0243 592 PHE B CZ 2710 N N . LEU B 92 ? 0.7461 0.6560 0.9252 -0.0272 0.0491 -0.0031 593 LEU B N 2711 C CA . LEU B 92 ? 0.7518 0.6580 0.9230 -0.0204 0.0453 -0.0065 593 LEU B CA 2712 C C . LEU B 92 ? 0.7734 0.6981 0.9440 -0.0208 0.0552 -0.0164 593 LEU B C 2713 O O . LEU B 92 ? 0.8065 0.7233 0.9597 -0.0208 0.0582 -0.0189 593 LEU B O 2714 C CB . LEU B 92 ? 0.7254 0.6322 0.9095 -0.0102 0.0331 -0.0054 593 LEU B CB 2715 C CG . LEU B 92 ? 0.7099 0.6001 0.8936 -0.0091 0.0226 0.0038 593 LEU B CG 2716 C CD1 . LEU B 92 ? 0.6912 0.5875 0.8920 -0.0026 0.0131 0.0051 593 LEU B CD1 2717 C CD2 . LEU B 92 ? 0.7331 0.6018 0.8962 -0.0085 0.0172 0.0070 593 LEU B CD2 2718 N N . LEU B 93 ? 0.7699 0.7200 0.9593 -0.0208 0.0603 -0.0221 594 LEU B N 2719 C CA . LEU B 93 ? 0.7774 0.7509 0.9701 -0.0198 0.0696 -0.0324 594 LEU B CA 2720 C C . LEU B 93 ? 0.8064 0.7816 0.9836 -0.0324 0.0831 -0.0344 594 LEU B C 2721 O O . LEU B 93 ? 0.8249 0.8101 0.9950 -0.0310 0.0901 -0.0414 594 LEU B O 2722 C CB . LEU B 93 ? 0.7449 0.7469 0.9623 -0.0169 0.0711 -0.0382 594 LEU B CB 2723 C CG . LEU B 93 ? 0.7332 0.7368 0.9642 -0.0036 0.0592 -0.0389 594 LEU B CG 2724 C CD1 . LEU B 93 ? 0.7139 0.7436 0.9669 -0.0025 0.0609 -0.0439 594 LEU B CD1 2725 C CD2 . LEU B 93 ? 0.7431 0.7435 0.9666 0.0087 0.0545 -0.0445 594 LEU B CD2 2726 N N . GLN B 94 ? 0.8277 0.7919 0.9977 -0.0445 0.0868 -0.0282 595 GLN B N 2727 C CA . GLN B 94 ? 0.8714 0.8306 1.0218 -0.0587 0.0988 -0.0284 595 GLN B CA 2728 C C . GLN B 94 ? 0.8900 0.8271 1.0144 -0.0572 0.0986 -0.0272 595 GLN B C 2729 O O . GLN B 94 ? 0.9111 0.8533 1.0216 -0.0646 0.1097 -0.0317 595 GLN B O 2730 C CB . GLN B 94 ? 0.9108 0.8527 1.0534 -0.0701 0.0994 -0.0207 595 GLN B CB 2731 C CG . GLN B 94 ? 0.9799 0.9174 1.1028 -0.0875 0.1123 -0.0210 595 GLN B CG 2732 C CD . GLN B 94 ? 1.0313 0.9487 1.1445 -0.0980 0.1119 -0.0137 595 GLN B CD 2733 O OE1 . GLN B 94 ? 1.0921 1.0064 1.1907 -0.1139 0.1220 -0.0140 595 GLN B OE1 2734 N NE2 . GLN B 94 ? 1.0342 0.9373 1.1539 -0.0893 0.1004 -0.0073 595 GLN B NE2 2735 N N . ARG B 95 ? 0.8866 0.8004 1.0046 -0.0481 0.0858 -0.0212 596 ARG B N 2736 C CA . ARG B 95 ? 0.9006 0.7897 0.9931 -0.0460 0.0826 -0.0190 596 ARG B CA 2737 C C . ARG B 95 ? 0.8844 0.7799 0.9781 -0.0339 0.0791 -0.0254 596 ARG B C 2738 O O . ARG B 95 ? 0.9304 0.8201 1.0047 -0.0348 0.0847 -0.0290 596 ARG B O 2739 C CB . ARG B 95 ? 0.9168 0.7769 1.0005 -0.0434 0.0699 -0.0089 596 ARG B CB 2740 C CG . ARG B 95 ? 0.9477 0.7913 1.0180 -0.0545 0.0734 -0.0025 596 ARG B CG 2741 C CD . ARG B 95 ? 0.9665 0.7896 1.0367 -0.0492 0.0602 0.0064 596 ARG B CD 2742 N NE . ARG B 95 ? 0.9959 0.8016 1.0521 -0.0579 0.0630 0.0120 596 ARG B NE 2743 C CZ . ARG B 95 ? 1.0165 0.8314 1.0834 -0.0639 0.0681 0.0123 596 ARG B CZ 2744 N NH1 . ARG B 95 ? 0.9927 0.8364 1.0867 -0.0624 0.0710 0.0073 596 ARG B NH1 2745 N NH2 . ARG B 95 ? 1.0580 0.8508 1.1064 -0.0712 0.0694 0.0175 596 ARG B NH2 2746 N N . TRP B 96 ? 0.8491 0.7545 0.9631 -0.0228 0.0697 -0.0268 597 TRP B N 2747 C CA . TRP B 96 ? 0.8472 0.7505 0.9587 -0.0100 0.0628 -0.0316 597 TRP B CA 2748 C C . TRP B 96 ? 0.8301 0.7625 0.9603 -0.0013 0.0663 -0.0418 597 TRP B C 2749 O O . TRP B 96 ? 0.8074 0.7369 0.9371 0.0107 0.0587 -0.0457 597 TRP B O 2750 C CB . TRP B 96 ? 0.8398 0.7233 0.9534 -0.0037 0.0463 -0.0242 597 TRP B CB 2751 C CG . TRP B 96 ? 0.8522 0.7109 0.9504 -0.0105 0.0420 -0.0148 597 TRP B CG 2752 C CD1 . TRP B 96 ? 0.8425 0.6968 0.9489 -0.0151 0.0385 -0.0072 597 TRP B CD1 2753 C CD2 . TRP B 96 ? 0.8859 0.7203 0.9562 -0.0125 0.0407 -0.0125 597 TRP B CD2 2754 N NE1 . TRP B 96 ? 0.8685 0.6978 0.9547 -0.0188 0.0344 -0.0004 597 TRP B NE1 2755 C CE2 . TRP B 96 ? 0.8882 0.7043 0.9517 -0.0178 0.0353 -0.0033 597 TRP B CE2 2756 C CE3 . TRP B 96 ? 0.9104 0.7359 0.9596 -0.0096 0.0431 -0.0176 597 TRP B CE3 2757 C CZ2 . TRP B 96 ? 0.9120 0.7011 0.9486 -0.0202 0.0315 0.0011 597 TRP B CZ2 2758 C CZ3 . TRP B 96 ? 0.9438 0.7415 0.9653 -0.0131 0.0398 -0.0129 597 TRP B CZ3 2759 C CH2 . TRP B 96 ? 0.9376 0.7173 0.9531 -0.0184 0.0337 -0.0035 597 TRP B CH2 2760 N N . GLY B 97 ? 0.8260 0.7854 0.9711 -0.0075 0.0773 -0.0462 598 GLY B N 2761 C CA . GLY B 97 ? 0.8364 0.8265 1.0021 0.0009 0.0799 -0.0558 598 GLY B CA 2762 C C . GLY B 97 ? 0.8817 0.8872 1.0406 0.0077 0.0880 -0.0667 598 GLY B C 2763 O O . GLY B 97 ? 0.8791 0.9080 1.0532 0.0187 0.0879 -0.0755 598 GLY B O 2764 N N . GLY B 98 ? 0.9449 0.9379 1.0803 0.0017 0.0953 -0.0666 599 GLY B N 2765 C CA . GLY B 98 ? 0.9858 0.9902 1.1108 0.0087 0.1034 -0.0767 599 GLY B CA 2766 C C . GLY B 98 ? 1.0387 1.0085 1.1340 0.0120 0.0978 -0.0734 599 GLY B C 2767 O O . GLY B 98 ? 1.0562 0.9974 1.1448 0.0142 0.0839 -0.0651 599 GLY B O 2768 N N . THR B 99 ? 1.0844 1.0582 1.1621 0.0121 0.1086 -0.0801 600 THR B N 2769 C CA . THR B 99 ? 1.1173 1.0581 1.1631 0.0137 0.1051 -0.0776 600 THR B CA 2770 C C . THR B 99 ? 1.1361 1.0564 1.1635 -0.0038 0.1096 -0.0682 600 THR B C 2771 O O . THR B 99 ? 1.1352 1.0722 1.1650 -0.0173 0.1234 -0.0690 600 THR B O 2772 C CB . THR B 99 ? 1.1371 1.0902 1.1698 0.0223 0.1152 -0.0894 600 THR B CB 2773 O OG1 . THR B 99 ? 1.1157 1.0791 1.1607 0.0414 0.1074 -0.0972 600 THR B OG1 2774 C CG2 . THR B 99 ? 1.1819 1.1001 1.1781 0.0215 0.1136 -0.0867 600 THR B CG2 2775 N N . CYS B 100 ? 1.1667 1.0502 1.1750 -0.0038 0.0973 -0.0595 601 CYS B N 2776 C CA . CYS B 100 ? 1.2049 1.0637 1.1924 -0.0179 0.0988 -0.0504 601 CYS B CA 2777 C C . CYS B 100 ? 1.2620 1.1069 1.2161 -0.0221 0.1084 -0.0536 601 CYS B C 2778 O O . CYS B 100 ? 1.2735 1.0932 1.2061 -0.0147 0.1000 -0.0531 601 CYS B O 2779 C CB . CYS B 100 ? 1.1940 1.0227 1.1782 -0.0151 0.0804 -0.0399 601 CYS B CB 2780 S SG . CYS B 100 ? 1.2014 1.0133 1.1812 -0.0296 0.0792 -0.0281 601 CYS B SG 2781 N N . HIS B 101 ? 1.2990 1.1605 1.2480 -0.0347 0.1261 -0.0570 602 HIS B N 2782 C CA . HIS B 101 ? 1.3621 1.2108 1.2775 -0.0416 0.1376 -0.0595 602 HIS B CA 2783 C C . HIS B 101 ? 1.3827 1.1896 1.2679 -0.0519 0.1315 -0.0483 602 HIS B C 2784 O O . HIS B 101 ? 1.3919 1.1949 1.2758 -0.0658 0.1357 -0.0422 602 HIS B O 2785 C CB . HIS B 101 ? 1.3884 1.2706 1.3089 -0.0542 0.1592 -0.0666 602 HIS B CB 2786 C CG . HIS B 101 ? 1.3962 1.3207 1.3410 -0.0430 0.1669 -0.0794 602 HIS B CG 2787 N ND1 . HIS B 101 ? 1.3717 1.3279 1.3537 -0.0375 0.1643 -0.0828 602 HIS B ND1 2788 C CD2 . HIS B 101 ? 1.4087 1.3489 1.3450 -0.0352 0.1769 -0.0902 602 HIS B CD2 2789 C CE1 . HIS B 101 ? 1.3614 1.3509 1.3572 -0.0261 0.1715 -0.0950 602 HIS B CE1 2790 N NE2 . HIS B 101 ? 1.3878 1.3691 1.3568 -0.0242 0.1796 -0.0999 602 HIS B NE2 2791 N N . ILE B 102 ? 1.4001 1.1747 1.2595 -0.0447 0.1211 -0.0458 603 ILE B N 2792 C CA . ILE B 102 ? 1.4328 1.1663 1.2648 -0.0512 0.1114 -0.0350 603 ILE B CA 2793 C C . ILE B 102 ? 1.4971 1.2190 1.2993 -0.0685 0.1264 -0.0332 603 ILE B C 2794 O O . ILE B 102 ? 1.5101 1.2446 1.2995 -0.0730 0.1423 -0.0408 603 ILE B O 2795 C CB . ILE B 102 ? 1.4362 1.1383 1.2463 -0.0402 0.0961 -0.0331 603 ILE B CB 2796 C CG1 . ILE B 102 ? 1.4099 1.1205 1.2470 -0.0253 0.0805 -0.0340 603 ILE B CG1 2797 C CG2 . ILE B 102 ? 1.4546 1.1175 1.2391 -0.0462 0.0850 -0.0221 603 ILE B CG2 2798 C CD1 . ILE B 102 ? 1.4326 1.1145 1.2493 -0.0154 0.0652 -0.0331 603 ILE B CD1 2799 N N . LEU B 103 ? 1.5354 1.2336 1.3267 -0.0781 0.1214 -0.0234 604 LEU B N 2800 C CA . LEU B 103 ? 1.5901 1.2749 1.3547 -0.0967 0.1344 -0.0201 604 LEU B CA 2801 C C . LEU B 103 ? 1.5864 1.3078 1.3704 -0.1095 0.1529 -0.0254 604 LEU B C 2802 O O . LEU B 103 ? 1.6132 1.3260 1.3745 -0.1271 0.1655 -0.0236 604 LEU B O 2803 C CB . LEU B 103 ? 1.6608 1.3172 1.3803 -0.1013 0.1400 -0.0208 604 LEU B CB 2804 C CG . LEU B 103 ? 1.6976 1.3038 1.3819 -0.1009 0.1251 -0.0109 604 LEU B CG 2805 C CD1 . LEU B 103 ? 1.7073 1.2924 1.3791 -0.1139 0.1246 -0.0019 604 LEU B CD1 2806 C CD2 . LEU B 103 ? 1.6778 1.2748 1.3765 -0.0833 0.1031 -0.0079 604 LEU B CD2 2807 N N . GLY B 104 ? 1.5649 1.3256 1.3895 -0.1017 0.1536 -0.0315 605 GLY B N 2808 C CA . GLY B 104 ? 1.5746 1.3707 1.4225 -0.1131 0.1674 -0.0356 605 GLY B CA 2809 C C . GLY B 104 ? 1.5926 1.3762 1.4481 -0.1203 0.1602 -0.0266 605 GLY B C 2810 O O . GLY B 104 ? 1.6000 1.3570 1.4532 -0.1118 0.1435 -0.0189 605 GLY B O 2811 N N . PRO B 105 ? 1.5896 1.3928 1.4543 -0.1359 0.1725 -0.0278 606 PRO B N 2812 C CA . PRO B 105 ? 1.5690 1.3579 1.4374 -0.1433 0.1664 -0.0197 606 PRO B CA 2813 C C . PRO B 105 ? 1.5072 1.3127 1.4138 -0.1294 0.1536 -0.0189 606 PRO B C 2814 O O . PRO B 105 ? 1.4895 1.2748 1.3959 -0.1294 0.1438 -0.0111 606 PRO B O 2815 C CB . PRO B 105 ? 1.5878 1.3973 1.4556 -0.1646 0.1844 -0.0231 606 PRO B CB 2816 C CG . PRO B 105 ? 1.5807 1.4357 1.4696 -0.1615 0.1966 -0.0350 606 PRO B CG 2817 C CD . PRO B 105 ? 1.5836 1.4269 1.4591 -0.1464 0.1918 -0.0375 606 PRO B CD 2818 N N . ASP B 106 ? 1.4691 1.3097 1.4061 -0.1172 0.1537 -0.0271 607 ASP B N 2819 C CA . ASP B 106 ? 1.4362 1.2951 1.4091 -0.1053 0.1432 -0.0272 607 ASP B CA 2820 C C . ASP B 106 ? 1.3768 1.2249 1.3564 -0.0859 0.1269 -0.0258 607 ASP B C 2821 O O . ASP B 106 ? 1.3488 1.2157 1.3576 -0.0749 0.1195 -0.0278 607 ASP B O 2822 C CB . ASP B 106 ? 1.4543 1.3608 1.4579 -0.1059 0.1536 -0.0373 607 ASP B CB 2823 C CG . ASP B 106 ? 1.4905 1.4110 1.4937 -0.1262 0.1674 -0.0381 607 ASP B CG 2824 O OD1 . ASP B 106 ? 1.4984 1.4085 1.5057 -0.1326 0.1629 -0.0319 607 ASP B OD1 2825 O OD2 . ASP B 106 ? 1.5341 1.4761 1.5323 -0.1362 0.1827 -0.0451 607 ASP B OD2 2826 N N . CYS B 107 ? 1.3366 1.1533 1.2880 -0.0826 0.1209 -0.0220 608 CYS B N 2827 C CA . CYS B 107 ? 1.2826 1.0870 1.2363 -0.0663 0.1055 -0.0207 608 CYS B CA 2828 C C . CYS B 107 ? 1.2848 1.0511 1.2191 -0.0657 0.0920 -0.0102 608 CYS B C 2829 O O . CYS B 107 ? 1.3143 1.0532 1.2156 -0.0712 0.0933 -0.0072 608 CYS B O 2830 C CB . CYS B 107 ? 1.2759 1.0813 1.2142 -0.0605 0.1100 -0.0280 608 CYS B CB 2831 S SG . CYS B 107 ? 1.2435 1.0270 1.1763 -0.0432 0.0908 -0.0263 608 CYS B SG 2832 N N . CYS B 108 ? 1.2574 1.0227 1.2117 -0.0582 0.0788 -0.0050 609 CYS B N 2833 C CA . CYS B 108 ? 1.2644 0.9992 1.2056 -0.0566 0.0656 0.0045 609 CYS B CA 2834 C C . CYS B 108 ? 1.2853 1.0030 1.2172 -0.0458 0.0514 0.0062 609 CYS B C 2835 O O . CYS B 108 ? 1.2638 0.9817 1.2125 -0.0372 0.0375 0.0099 609 CYS B O 2836 C CB . CYS B 108 ? 1.2285 0.9726 1.1958 -0.0544 0.0593 0.0091 609 CYS B CB 2837 S SG . CYS B 108 ? 1.2071 0.9742 1.1887 -0.0665 0.0746 0.0061 609 CYS B SG 2838 N N . ILE B 109 ? 1.3187 1.0216 1.2226 -0.0474 0.0553 0.0033 610 ILE B N 2839 C CA . ILE B 109 ? 1.3454 1.0264 1.2327 -0.0393 0.0422 0.0050 610 ILE B CA 2840 C C . ILE B 109 ? 1.3997 1.0462 1.2478 -0.0461 0.0421 0.0099 610 ILE B C 2841 O O . ILE B 109 ? 1.4489 1.0916 1.2765 -0.0562 0.0566 0.0074 610 ILE B O 2842 C CB . ILE B 109 ? 1.3375 1.0297 1.2238 -0.0329 0.0460 -0.0040 610 ILE B CB 2843 C CG1 . ILE B 109 ? 1.2906 1.0118 1.2129 -0.0243 0.0428 -0.0083 610 ILE B CG1 2844 C CG2 . ILE B 109 ? 1.3690 1.0330 1.2302 -0.0268 0.0334 -0.0023 610 ILE B CG2 2845 C CD1 . ILE B 109 ? 1.2863 1.0209 1.2093 -0.0166 0.0475 -0.0182 610 ILE B CD1 2846 N N . GLU B 110 ? 1.9558 1.4121 1.1695 0.0556 -0.1188 0.0613 611 GLU B N 2847 C CA . GLU B 110 ? 1.9553 1.3955 1.1624 0.0401 -0.1281 0.0613 611 GLU B CA 2848 C C . GLU B 110 ? 1.9683 1.3997 1.1760 0.0228 -0.1231 0.0682 611 GLU B C 2849 O O . GLU B 110 ? 1.9393 1.3778 1.1544 0.0265 -0.1197 0.0780 611 GLU B O 2850 C CB . GLU B 110 ? 1.9438 1.3891 1.1531 0.0505 -0.1377 0.0652 611 GLU B CB 2851 C CG . GLU B 110 ? 1.9470 1.3767 1.1506 0.0361 -0.1485 0.0658 611 GLU B CG 2852 C CD . GLU B 110 ? 1.9471 1.3630 1.1423 0.0251 -0.1545 0.0555 611 GLU B CD 2853 O OE1 . GLU B 110 ? 1.9325 1.3353 1.1218 0.0064 -0.1525 0.0546 611 GLU B OE1 2854 O OE2 . GLU B 110 ? 1.9557 1.3743 1.1506 0.0353 -0.1610 0.0482 611 GLU B OE2 2855 N N . PRO B 111 ? 2.0148 1.4313 1.2150 0.0041 -0.1225 0.0628 612 PRO B N 2856 C CA . PRO B 111 ? 2.0594 1.4667 1.2588 -0.0133 -0.1194 0.0679 612 PRO B CA 2857 C C . PRO B 111 ? 2.1292 1.5247 1.3226 -0.0259 -0.1297 0.0712 612 PRO B C 2858 O O . PRO B 111 ? 2.1459 1.5328 1.3368 -0.0418 -0.1281 0.0741 612 PRO B O 2859 C CB . PRO B 111 ? 2.0448 1.4439 1.2392 -0.0261 -0.1132 0.0595 612 PRO B CB 2860 C CG . PRO B 111 ? 2.0281 1.4252 1.2167 -0.0212 -0.1183 0.0499 612 PRO B CG 2861 C CD . PRO B 111 ? 2.0170 1.4261 1.2101 -0.0009 -0.1236 0.0515 612 PRO B CD 2862 N N . HIS B 112 ? 2.2202 1.6157 1.4116 -0.0187 -0.1402 0.0707 613 HIS B N 2863 C CA . HIS B 112 ? 2.2908 1.6766 1.4782 -0.0281 -0.1510 0.0749 613 HIS B CA 2864 C C . HIS B 112 ? 2.2989 1.6807 1.4878 -0.0401 -0.1492 0.0839 613 HIS B C 2865 O O . HIS B 112 ? 2.3284 1.6975 1.5097 -0.0585 -0.1519 0.0832 613 HIS B O 2866 C CB . HIS B 112 ? 2.3433 1.7371 1.5352 -0.0115 -0.1596 0.0768 613 HIS B CB 2867 C CG . HIS B 112 ? 2.4050 1.7907 1.5952 -0.0189 -0.1707 0.0820 613 HIS B CG 2868 N ND1 . HIS B 112 ? 2.4468 1.8192 1.6296 -0.0307 -0.1804 0.0779 613 HIS B ND1 2869 C CD2 . HIS B 112 ? 2.4220 1.8113 1.6178 -0.0158 -0.1737 0.0914 613 HIS B CD2 2870 C CE1 . HIS B 112 ? 2.4537 1.8218 1.6375 -0.0348 -0.1890 0.0846 613 HIS B CE1 2871 N NE2 . HIS B 112 ? 2.4518 1.8298 1.6433 -0.0259 -0.1852 0.0926 613 HIS B NE2 2872 N N . ASP B 113 ? 2.3083 1.7013 1.5074 -0.0297 -0.1447 0.0922 614 ASP B N 2873 C CA . ASP B 113 ? 2.3253 1.7155 1.5280 -0.0397 -0.1427 0.1009 614 ASP B CA 2874 C C . ASP B 113 ? 2.3564 1.7422 1.5585 -0.0529 -0.1331 0.0985 614 ASP B C 2875 O O . ASP B 113 ? 2.3632 1.7407 1.5631 -0.0683 -0.1338 0.1014 614 ASP B O 2876 C CB . ASP B 113 ? 2.3127 1.7172 1.5282 -0.0241 -0.1399 0.1107 614 ASP B CB 2877 C CG . ASP B 113 ? 2.3070 1.7154 1.5239 -0.0131 -0.1500 0.1140 614 ASP B CG 2878 O OD1 . ASP B 113 ? 2.3153 1.7125 1.5254 -0.0229 -0.1603 0.1132 614 ASP B OD1 2879 O OD2 . ASP B 113 ? 2.2832 1.7065 1.5083 0.0055 -0.1477 0.1174 614 ASP B OD2 2880 N N . TRP B 114 ? 2.4008 1.7925 1.6052 -0.0467 -0.1243 0.0929 615 TRP B N 2881 C CA . TRP B 114 ? 2.4495 1.8371 1.6537 -0.0584 -0.1150 0.0890 615 TRP B CA 2882 C C . TRP B 114 ? 2.4753 1.8477 1.6660 -0.0779 -0.1184 0.0809 615 TRP B C 2883 O O . TRP B 114 ? 2.4642 1.8311 1.6537 -0.0916 -0.1127 0.0786 615 TRP B O 2884 C CB . TRP B 114 ? 2.4856 1.8842 1.6968 -0.0453 -0.1052 0.0855 615 TRP B CB 2885 C CG . TRP B 114 ? 2.5426 1.9386 1.7564 -0.0554 -0.0950 0.0816 615 TRP B CG 2886 C CD1 . TRP B 114 ? 2.5688 1.9628 1.7790 -0.0577 -0.0898 0.0723 615 TRP B CD1 2887 C CD2 . TRP B 114 ? 2.5871 1.9821 1.8087 -0.0646 -0.0890 0.0865 615 TRP B CD2 2888 N NE1 . TRP B 114 ? 2.5899 1.9819 1.8052 -0.0677 -0.0807 0.0709 615 TRP B NE1 2889 C CE2 . TRP B 114 ? 2.6041 1.9967 1.8266 -0.0720 -0.0802 0.0793 615 TRP B CE2 2890 C CE3 . TRP B 114 ? 2.6185 2.0147 1.8474 -0.0671 -0.0904 0.0959 615 TRP B CE3 2891 C CZ2 . TRP B 114 ? 2.6337 2.0250 1.8645 -0.0818 -0.0729 0.0808 615 TRP B CZ2 2892 C CZ3 . TRP B 114 ? 2.6315 2.0262 1.8685 -0.0770 -0.0833 0.0976 615 TRP B CZ3 2893 C CH2 . TRP B 114 ? 2.6351 2.0275 1.8732 -0.0841 -0.0747 0.0899 615 TRP B CH2 2894 N N . THR B 115 ? 2.5032 1.8693 1.6847 -0.0790 -0.1277 0.0766 616 THR B N 2895 C CA . THR B 115 ? 2.5227 1.8749 1.6914 -0.0975 -0.1322 0.0707 616 THR B CA 2896 C C . THR B 115 ? 2.5343 1.8787 1.6992 -0.1123 -0.1375 0.0769 616 THR B C 2897 O O . THR B 115 ? 2.5331 1.8705 1.6925 -0.1287 -0.1343 0.0747 616 THR B O 2898 C CB . THR B 115 ? 2.5352 1.8828 1.6969 -0.0948 -0.1415 0.0654 616 THR B CB 2899 O OG1 . THR B 115 ? 2.5594 1.9053 1.7210 -0.0923 -0.1526 0.0716 616 THR B OG1 2900 C CG2 . THR B 115 ? 2.5214 1.8783 1.6880 -0.0770 -0.1384 0.0598 616 THR B CG2 2901 N N . LYS B 116 ? 2.5492 1.8956 1.7174 -0.1059 -0.1456 0.0846 617 LYS B N 2902 C CA . LYS B 116 ? 2.5763 1.9163 1.7422 -0.1180 -0.1518 0.0916 617 LYS B CA 2903 C C . LYS B 116 ? 2.5781 1.9237 1.7540 -0.1177 -0.1454 0.0986 617 LYS B C 2904 O O . LYS B 116 ? 2.5695 1.9128 1.7469 -0.1227 -0.1509 0.1059 617 LYS B O 2905 C CB . LYS B 116 ? 2.5949 1.9335 1.7603 -0.1122 -0.1643 0.0965 617 LYS B CB 2906 C CG . LYS B 116 ? 2.6071 1.9580 1.7844 -0.0916 -0.1646 0.1022 617 LYS B CG 2907 C CD . LYS B 116 ? 2.6166 1.9652 1.7943 -0.0888 -0.1771 0.1076 617 LYS B CD 2908 C CE . LYS B 116 ? 2.6061 1.9682 1.7957 -0.0681 -0.1768 0.1129 617 LYS B CE 2909 N NZ . LYS B 116 ? 2.6058 1.9661 1.7977 -0.0661 -0.1881 0.1193 617 LYS B NZ 2910 N N . ASN B 117 ? 2.5875 1.9409 1.7717 -0.1111 -0.1341 0.0969 618 ASN B N 2911 C CA . ASN B 117 ? 2.5959 1.9522 1.7893 -0.1157 -0.1266 0.1012 618 ASN B CA 2912 C C . ASN B 117 ? 2.6450 1.9938 1.8321 -0.1328 -0.1208 0.0934 618 ASN B C 2913 O O . ASN B 117 ? 2.6898 2.0351 1.8785 -0.1446 -0.1194 0.0954 618 ASN B O 2914 C CB . ASN B 117 ? 2.5546 1.9251 1.7633 -0.0978 -0.1176 0.1051 618 ASN B CB 2915 C CG . ASN B 117 ? 2.5214 1.8960 1.7431 -0.1000 -0.1119 0.1124 618 ASN B CG 2916 O OD1 . ASN B 117 ? 2.5099 1.8811 1.7335 -0.1112 -0.1055 0.1088 618 ASN B OD1 2917 N ND2 . ASN B 117 ? 2.5048 1.8872 1.7365 -0.0890 -0.1144 0.1225 618 ASN B ND2 2918 N N . ILE B 118 ? 2.6783 2.0250 1.8587 -0.1339 -0.1174 0.0842 619 ILE B N 2919 C CA . ILE B 118 ? 2.7077 2.0479 1.8818 -0.1495 -0.1115 0.0758 619 ILE B CA 2920 C C . ILE B 118 ? 2.7467 2.0749 1.9046 -0.1673 -0.1196 0.0727 619 ILE B C 2921 O O . ILE B 118 ? 2.7369 2.0600 1.8906 -0.1829 -0.1184 0.0713 619 ILE B O 2922 C CB . ILE B 118 ? 2.6969 2.0406 1.8720 -0.1427 -0.1036 0.0675 619 ILE B CB 2923 C CG1 . ILE B 118 ? 2.6738 2.0303 1.8653 -0.1256 -0.0950 0.0713 619 ILE B CG1 2924 C CG2 . ILE B 118 ? 2.7060 2.0431 1.8744 -0.1589 -0.0976 0.0583 619 ILE B CG2 2925 C CD1 . ILE B 118 ? 2.6713 2.0312 1.8751 -0.1295 -0.0877 0.0754 619 ILE B CD1 2926 N N . THR B 119 ? 2.7907 2.1153 1.9403 -0.1649 -0.1280 0.0718 620 THR B N 2927 C CA . THR B 119 ? 2.8260 2.1399 1.9610 -0.1810 -0.1365 0.0702 620 THR B CA 2928 C C . THR B 119 ? 2.8593 2.1695 1.9922 -0.1891 -0.1449 0.0785 620 THR B C 2929 O O . THR B 119 ? 2.8823 2.1845 2.0037 -0.2054 -0.1502 0.0779 620 THR B O 2930 C CB . THR B 119 ? 2.8064 2.1174 1.9354 -0.1758 -0.1438 0.0675 620 THR B CB 2931 O OG1 . THR B 119 ? 2.8041 2.1204 1.9407 -0.1597 -0.1500 0.0737 620 THR B OG1 2932 C CG2 . THR B 119 ? 2.7870 2.1000 1.9159 -0.1710 -0.1364 0.0582 620 THR B CG2 2933 N N . ASP B 120 ? 2.8748 2.1912 2.0189 -0.1775 -0.1463 0.0866 621 ASP B N 2934 C CA . ASP B 120 ? 2.8786 2.1926 2.0234 -0.1839 -0.1533 0.0950 621 ASP B CA 2935 C C . ASP B 120 ? 2.9025 2.2162 2.0501 -0.1952 -0.1470 0.0948 621 ASP B C 2936 O O . ASP B 120 ? 2.9390 2.2469 2.0800 -0.2095 -0.1526 0.0972 621 ASP B O 2937 C CB . ASP B 120 ? 2.8469 2.1684 2.0037 -0.1664 -0.1568 0.1035 621 ASP B CB 2938 C CG . ASP B 120 ? 2.8245 2.1426 1.9814 -0.1716 -0.1665 0.1124 621 ASP B CG 2939 O OD1 . ASP B 120 ? 2.8184 2.1279 1.9640 -0.1838 -0.1755 0.1126 621 ASP B OD1 2940 O OD2 . ASP B 120 ? 2.7985 2.1231 1.9674 -0.1631 -0.1653 0.1197 621 ASP B OD2 2941 N N . LYS B 121 ? 2.8959 2.2162 2.0540 -0.1890 -0.1358 0.0919 622 LYS B N 2942 C CA . LYS B 121 ? 2.9003 2.2213 2.0645 -0.1983 -0.1292 0.0910 622 LYS B CA 2943 C C . LYS B 121 ? 2.9282 2.2437 2.0824 -0.2147 -0.1240 0.0806 622 LYS B C 2944 O O . LYS B 121 ? 2.9122 2.2290 2.0726 -0.2214 -0.1174 0.0778 622 LYS B O 2945 C CB . LYS B 121 ? 2.8779 2.2093 2.0610 -0.1836 -0.1198 0.0941 622 LYS B CB 2946 C CG . LYS B 121 ? 2.8690 2.2070 2.0633 -0.1695 -0.1241 0.1054 622 LYS B CG 2947 C CD . LYS B 121 ? 2.8453 2.1950 2.0580 -0.1538 -0.1145 0.1092 622 LYS B CD 2948 C CE . LYS B 121 ? 2.8363 2.1876 2.0614 -0.1606 -0.1080 0.1106 622 LYS B CE 2949 N NZ . LYS B 121 ? 2.8134 2.1767 2.0581 -0.1450 -0.0991 0.1160 622 LYS B NZ 2950 N N . ILE B 122 ? 2.9543 2.2641 2.0940 -0.2211 -0.1271 0.0748 623 ILE B N 2951 C CA . ILE B 122 ? 2.9658 2.2698 2.0931 -0.2393 -0.1248 0.0662 623 ILE B CA 2952 C C . ILE B 122 ? 3.0028 2.3014 2.1211 -0.2556 -0.1321 0.0692 623 ILE B C 2953 O O . ILE B 122 ? 3.0348 2.3309 2.1457 -0.2705 -0.1289 0.0626 623 ILE B O 2954 C CB . ILE B 122 ? 2.9462 2.2458 2.0607 -0.2423 -0.1262 0.0598 623 ILE B CB 2955 C CG1 . ILE B 122 ? 2.9396 2.2340 2.0445 -0.2435 -0.1389 0.0656 623 ILE B CG1 2956 C CG2 . ILE B 122 ? 2.9202 2.2252 2.0431 -0.2273 -0.1185 0.0555 623 ILE B CG2 2957 C CD1 . ILE B 122 ? 2.9430 2.2301 2.0319 -0.2631 -0.1451 0.0646 623 ILE B CD1 2958 N N . ASP B 123 ? 3.0074 2.3050 2.1265 -0.2525 -0.1419 0.0788 624 ASP B N 2959 C CA . ASP B 123 ? 3.0066 2.2999 2.1189 -0.2664 -0.1496 0.0831 624 ASP B CA 2960 C C . ASP B 123 ? 3.0207 2.3181 2.1464 -0.2661 -0.1465 0.0865 624 ASP B C 2961 O O . ASP B 123 ? 3.0199 2.3155 2.1453 -0.2711 -0.1542 0.0933 624 ASP B O 2962 C CB . ASP B 123 ? 2.9752 2.2648 2.0820 -0.2645 -0.1624 0.0917 624 ASP B CB 2963 C CG . ASP B 123 ? 2.9458 2.2311 2.0410 -0.2658 -0.1662 0.0885 624 ASP B CG 2964 O OD1 . ASP B 123 ? 2.8814 2.1695 1.9823 -0.2516 -0.1639 0.0872 624 ASP B OD1 2965 O OD2 . ASP B 123 ? 2.9341 2.2139 2.0151 -0.2809 -0.1716 0.0875 624 ASP B OD2 2966 N N . GLN B 124 ? 3.0138 2.3166 2.1522 -0.2597 -0.1354 0.0822 625 GLN B N 2967 C CA . GLN B 124 ? 3.0088 2.3146 2.1590 -0.2639 -0.1306 0.0818 625 GLN B CA 2968 C C . GLN B 124 ? 3.0330 2.3393 2.1829 -0.2724 -0.1202 0.0699 625 GLN B C 2969 O O . GLN B 124 ? 3.0321 2.3422 2.1962 -0.2722 -0.1135 0.0680 625 GLN B O 2970 C CB . GLN B 124 ? 2.9724 2.2856 2.1435 -0.2467 -0.1272 0.0898 625 GLN B CB 2971 C CG . GLN B 124 ? 2.9515 2.2650 2.1247 -0.2388 -0.1370 0.1014 625 GLN B CG 2972 C CD . GLN B 124 ? 2.9202 2.2422 2.1143 -0.2223 -0.1330 0.1096 625 GLN B CD 2973 O OE1 . GLN B 124 ? 2.8947 2.2232 2.0980 -0.2091 -0.1252 0.1087 625 GLN B OE1 2974 N NE2 . GLN B 124 ? 2.9073 2.2300 2.1092 -0.2227 -0.1385 0.1181 625 GLN B NE2 2975 N N . ILE B 125 ? 3.0623 2.3650 2.1973 -0.2795 -0.1189 0.0620 626 ILE B N 2976 C CA . ILE B 125 ? 3.0778 2.3804 2.2096 -0.2900 -0.1102 0.0499 626 ILE B CA 2977 C C . ILE B 125 ? 3.1311 2.4280 2.2408 -0.3070 -0.1143 0.0438 626 ILE B C 2978 O O . ILE B 125 ? 3.1399 2.4365 2.2446 -0.3207 -0.1110 0.0359 626 ILE B O 2979 C CB . ILE B 125 ? 3.0385 2.3455 2.1809 -0.2781 -0.0993 0.0447 626 ILE B CB 2980 C CG1 . ILE B 125 ? 3.0167 2.3256 2.1651 -0.2861 -0.0890 0.0340 626 ILE B CG1 2981 C CG2 . ILE B 125 ? 3.0295 2.3340 2.1601 -0.2746 -0.1004 0.0421 626 ILE B CG2 2982 C CD1 . ILE B 125 ? 2.9853 2.2989 2.1542 -0.2824 -0.0847 0.0365 626 ILE B CD1 2983 N N . ILE B 126 ? 3.1777 2.4709 2.2751 -0.3059 -0.1214 0.0474 627 ILE B N 2984 C CA . ILE B 126 ? 3.2143 2.5025 2.2912 -0.3217 -0.1268 0.0444 627 ILE B CA 2985 C C . ILE B 126 ? 3.2438 2.5290 2.3124 -0.3311 -0.1384 0.0524 627 ILE B C 2986 O O . ILE B 126 ? 3.2583 2.5415 2.3124 -0.3473 -0.1413 0.0492 627 ILE B O 2987 C CB . ILE B 126 ? 3.2040 2.4895 2.2727 -0.3173 -0.1286 0.0438 627 ILE B CB 2988 C CG1 . ILE B 126 ? 3.2051 2.4873 2.2551 -0.3342 -0.1294 0.0376 627 ILE B CG1 2989 C CG2 . ILE B 126 ? 3.1962 2.4795 2.2654 -0.3078 -0.1393 0.0545 627 ILE B CG2 2990 C CD1 . ILE B 126 ? 3.1988 2.4784 2.2422 -0.3308 -0.1302 0.0360 627 ILE B CD1 2991 N N . HIS B 127 ? 3.2555 2.5411 2.3333 -0.3208 -0.1450 0.0627 628 HIS B N 2992 C CA . HIS B 127 ? 3.2679 2.5510 2.3409 -0.3282 -0.1558 0.0709 628 HIS B CA 2993 C C . HIS B 127 ? 3.2635 2.5492 2.3426 -0.3360 -0.1532 0.0686 628 HIS B C 2994 O O . HIS B 127 ? 3.2637 2.5474 2.3326 -0.3498 -0.1597 0.0697 628 HIS B O 2995 C CB . HIS B 127 ? 3.2691 2.5522 2.3515 -0.3139 -0.1632 0.0823 628 HIS B CB 2996 C CG . HIS B 127 ? 3.2865 2.5668 2.3647 -0.3208 -0.1749 0.0913 628 HIS B CG 2997 N ND1 . HIS B 127 ? 3.2968 2.5722 2.3596 -0.3309 -0.1848 0.0949 628 HIS B ND1 2998 C CD2 . HIS B 127 ? 3.2798 2.5617 2.3682 -0.3188 -0.1784 0.0979 628 HIS B CD2 2999 C CE1 . HIS B 127 ? 3.2883 2.5624 2.3515 -0.3350 -0.1939 0.1031 628 HIS B CE1 3000 N NE2 . HIS B 127 ? 3.2844 2.5623 2.3630 -0.3278 -0.1903 0.1049 628 HIS B NE2 3001 N N . ASP B 128 ? 3.2369 2.5271 2.3332 -0.3271 -0.1438 0.0654 629 ASP B N 3002 C CA . ASP B 128 ? 3.2141 2.5071 2.3193 -0.3338 -0.1398 0.0613 629 ASP B CA 3003 C C . ASP B 128 ? 3.2135 2.5079 2.3144 -0.3436 -0.1302 0.0475 629 ASP B C 3004 O O . ASP B 128 ? 3.2249 2.5231 2.3409 -0.3406 -0.1215 0.0421 629 ASP B O 3005 C CB . ASP B 128 ? 3.1703 2.4679 2.2992 -0.3186 -0.1355 0.0668 629 ASP B CB 3006 C CG . ASP B 128 ? 3.1416 2.4389 2.2760 -0.3087 -0.1445 0.0801 629 ASP B CG 3007 O OD1 . ASP B 128 ? 3.1445 2.4374 2.2653 -0.3147 -0.1549 0.0852 629 ASP B OD1 3008 O OD2 . ASP B 128 ? 3.0956 2.3975 2.2486 -0.2947 -0.1412 0.0858 629 ASP B OD2 3009 N N . PHE B 129 ? 3.1912 2.4827 2.2724 -0.3553 -0.1318 0.0421 630 PHE B N 3010 C CA . PHE B 129 ? 3.1465 2.4395 2.2206 -0.3667 -0.1237 0.0289 630 PHE B CA 3011 C C . PHE B 129 ? 3.1316 2.4247 2.1938 -0.3841 -0.1293 0.0264 630 PHE B C 3012 O O . PHE B 129 ? 3.1307 2.4226 2.1734 -0.3970 -0.1324 0.0232 630 PHE B O 3013 C CB . PHE B 129 ? 3.1253 2.4162 2.1858 -0.3678 -0.1217 0.0251 630 PHE B CB 3014 C CG . PHE B 129 ? 3.1000 2.3931 2.1567 -0.3758 -0.1114 0.0114 630 PHE B CG 3015 C CD1 . PHE B 129 ? 3.0596 2.3558 2.1324 -0.3664 -0.1003 0.0049 630 PHE B CD1 3016 C CD2 . PHE B 129 ? 3.0929 2.3858 2.1303 -0.3926 -0.1127 0.0052 630 PHE B CD2 3017 C CE1 . PHE B 129 ? 3.0501 2.3483 2.1203 -0.3737 -0.0908 -0.0078 630 PHE B CE1 3018 C CE2 . PHE B 129 ? 3.0798 2.3754 2.1139 -0.3998 -0.1029 -0.0077 630 PHE B CE2 3019 C CZ . PHE B 129 ? 3.0683 2.3662 2.1191 -0.3903 -0.0920 -0.0146 630 PHE B CZ 3020 N N . VAL B 130 ? 3.1028 2.3979 2.1777 -0.3840 -0.1305 0.0280 631 VAL B N 3021 C CA . VAL B 130 ? 3.1034 2.3987 2.1695 -0.3982 -0.1380 0.0281 631 VAL B CA 3022 C C . VAL B 130 ? 3.0979 2.3969 2.1605 -0.4111 -0.1312 0.0135 631 VAL B C 3023 O O . VAL B 130 ? 3.0948 2.3967 2.1745 -0.4067 -0.1223 0.0063 631 VAL B O 3024 C CB . VAL B 130 ? 3.0898 2.3856 2.1726 -0.3918 -0.1432 0.0368 631 VAL B CB 3025 C CG1 . VAL B 130 ? 3.0994 2.3951 2.1721 -0.4063 -0.1523 0.0376 631 VAL B CG1 3026 C CG2 . VAL B 130 ? 3.0603 2.3535 2.1493 -0.3771 -0.1486 0.0503 631 VAL B CG2 3027 N N . ASP B 131 ? 3.0812 2.3806 2.1222 -0.4269 -0.1354 0.0094 632 ASP B N 3028 C CA . ASP B 131 ? 3.0602 2.3641 2.0950 -0.4405 -0.1301 -0.0047 632 ASP B CA 3029 C C . ASP B 131 ? 3.0476 2.3537 2.0824 -0.4500 -0.1372 -0.0048 632 ASP B C 3030 O O . ASP B 131 ? 3.0297 2.3403 2.0584 -0.4623 -0.1348 -0.0163 632 ASP B O 3031 C CB . ASP B 131 ? 3.0589 2.3637 2.0698 -0.4522 -0.1292 -0.0102 632 ASP B CB 3032 C CG . ASP B 131 ? 3.0642 2.3683 2.0541 -0.4636 -0.1412 -0.0024 632 ASP B CG 3033 O OD1 . ASP B 131 ? 3.0612 2.3611 2.0520 -0.4576 -0.1503 0.0110 632 ASP B OD1 3034 O OD2 . ASP B 131 ? 3.0608 2.3691 2.0335 -0.4786 -0.1415 -0.0097 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 30 GLY GLY A . n A 1 4 ARG 4 31 31 ARG ARG 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 ? ? ? A . n A 1 165 ASP 165 192 ? ? ? A . n A 1 166 PHE 166 193 ? ? ? A . n A 1 167 PHE 167 194 ? ? ? 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 ? ? ? 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 267 294 ? ? ? A . n A 1 268 LYS 268 295 ? ? ? A . n A 1 269 ASN 269 296 ? ? ? A . n A 1 270 LEU 270 297 ? ? ? A . n A 1 271 THR 271 298 ? ? ? A . n A 1 272 ARG 272 299 ? ? ? A . n A 1 273 LYS 273 300 ? ? ? A . n A 1 274 ILE 274 301 ? ? ? A . n A 1 275 ARG 275 302 ? ? ? A . n A 1 276 SER 276 303 303 SER SER A . n A 1 277 GLU 277 304 304 GLU GLU A . n A 1 278 GLU 278 305 305 GLU GLU A . n A 1 279 LEU 279 306 306 LEU LEU A . n A 1 280 SER 280 307 307 SER SER A . n A 1 281 PHE 281 308 308 PHE PHE A . n A 1 282 THR 282 309 309 THR THR A . n A 1 283 VAL 283 310 310 VAL VAL A . n A 1 284 VAL 284 311 311 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 6 GOL GOL A . H 4 GOL 1 606 7 GOL GOL A . I 5 DMS 1 607 1 DMS DMS A . J 3 NAG 1 701 621 NAG NAG B . K 3 NAG 2 702 622 NAG NAG B . L 6 BMA 3 703 623 BMA BMA B . M 7 MAN 4 704 624 MAN MAN B . N 8 T0R 1 705 1 T0R T0R B . O 9 HOH 1 701 18 HOH HOH A . O 9 HOH 2 702 10 HOH HOH A . O 9 HOH 3 703 146 HOH HOH A . O 9 HOH 4 704 6 HOH HOH A . O 9 HOH 5 705 37 HOH HOH A . O 9 HOH 6 706 17 HOH HOH A . O 9 HOH 7 707 141 HOH HOH A . O 9 HOH 8 708 38 HOH HOH A . O 9 HOH 9 709 5 HOH HOH A . O 9 HOH 10 710 41 HOH HOH A . O 9 HOH 11 711 8 HOH HOH A . O 9 HOH 12 712 50 HOH HOH A . O 9 HOH 13 713 1 HOH HOH A . O 9 HOH 14 714 140 HOH HOH A . O 9 HOH 15 715 23 HOH HOH A . O 9 HOH 16 716 85 HOH HOH A . O 9 HOH 17 717 46 HOH HOH A . O 9 HOH 18 718 136 HOH HOH A . O 9 HOH 19 719 69 HOH HOH A . O 9 HOH 20 720 127 HOH HOH A . O 9 HOH 21 721 135 HOH HOH A . O 9 HOH 22 722 97 HOH HOH A . O 9 HOH 23 723 22 HOH HOH A . O 9 HOH 24 724 68 HOH HOH A . O 9 HOH 25 725 83 HOH HOH A . O 9 HOH 26 726 121 HOH HOH A . O 9 HOH 27 727 123 HOH HOH A . O 9 HOH 28 728 53 HOH HOH A . O 9 HOH 29 729 147 HOH HOH A . O 9 HOH 30 730 26 HOH HOH A . O 9 HOH 31 731 118 HOH HOH A . O 9 HOH 32 732 111 HOH HOH A . P 9 HOH 1 801 74 HOH HOH B . P 9 HOH 2 802 29 HOH HOH B . P 9 HOH 3 803 67 HOH HOH B . P 9 HOH 4 804 3 HOH HOH B . P 9 HOH 5 805 20 HOH HOH B . P 9 HOH 6 806 52 HOH HOH B . P 9 HOH 7 807 87 HOH HOH B . P 9 HOH 8 808 65 HOH HOH B . P 9 HOH 9 809 142 HOH HOH B . P 9 HOH 10 810 49 HOH HOH B . P 9 HOH 11 811 99 HOH HOH B . P 9 HOH 12 812 112 HOH HOH B . P 9 HOH 13 813 84 HOH HOH B . P 9 HOH 14 814 36 HOH HOH B . P 9 HOH 15 815 60 HOH HOH B . P 9 HOH 16 816 86 HOH HOH B . P 9 HOH 17 817 126 HOH HOH B . P 9 HOH 18 818 144 HOH HOH B . P 9 HOH 19 819 45 HOH HOH B . P 9 HOH 20 820 143 HOH HOH B . P 9 HOH 21 821 43 HOH HOH B . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details hexameric _pdbx_struct_assembly.oligomeric_count 6 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1,2,3 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 37690 ? 1 MORE -86 ? 1 'SSA (A^2)' 55690 ? # 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 -56.7250000000 0.8660254038 -0.5000000000 0.0000000000 98.2505820593 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 -113.4500000000 -0.8660254038 -0.5000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id B _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 820 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id P _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 -55.5806 13.1695 -19.6225 0.1625 0.0203 0.3222 -0.0253 0.0870 -0.0042 0.8661 2.0242 3.2696 -0.1770 0.4511 0.3945 -0.1196 -0.0139 -0.0889 0.0614 -0.0682 0.0857 0.5259 -0.2162 0.1878 'X-RAY DIFFRACTION' 2 ? refined -46.6782 -5.4402 -38.8177 1.0075 0.1592 0.4377 0.1955 0.1508 -0.0943 0.4045 4.0995 4.0630 0.0457 -0.7834 2.9841 -0.4267 0.0602 -0.2758 0.0090 0.2319 -0.3448 1.2604 0.2080 0.1948 'X-RAY DIFFRACTION' 3 ? refined -51.8364 17.9591 -8.2679 0.1718 0.0161 0.3790 -0.0132 0.0379 0.0423 0.2987 1.1580 2.2358 0.0474 0.3968 0.2587 -0.0078 -0.0463 -0.0340 0.2444 -0.0926 -0.0599 0.4820 -0.0643 0.1003 'X-RAY DIFFRACTION' 4 ? refined -50.0384 30.9769 36.4189 1.1702 0.4870 0.3200 -0.1982 -0.1293 0.0810 1.0915 0.3693 0.0314 -0.1191 0.1624 -0.0429 0.4039 -0.0678 0.1146 0.2349 -0.3979 -0.1251 0.0933 0.0299 -0.0060 # 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 30 ? ? A 190 ? ? ? ? '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 TYR A 162 ? ? -109.97 -161.33 2 1 PRO A 187 ? ? -69.36 -165.29 3 1 GLU A 229 ? ? -112.48 72.55 4 1 ASN A 268 ? ? -106.67 47.82 5 1 GLU A 304 ? ? -113.64 67.30 6 1 UNK A 472 ? ? -161.54 98.18 7 1 ASN B 550 ? ? -85.70 43.51 8 1 HIS B 613 ? ? -28.35 -65.48 9 1 ILE B 626 ? ? -137.34 -39.79 10 1 ASP B 629 ? ? -94.61 46.83 # 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 # 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 LYS 191 ? A LYS 164 4 1 Y 1 A ASP 192 ? A ASP 165 5 1 Y 1 A PHE 193 ? A PHE 166 6 1 Y 1 A PHE 194 ? A PHE 167 7 1 Y 1 A SER 195 ? A SER 168 8 1 Y 1 A SER 196 ? A SER 169 9 1 Y 1 A HIS 197 ? A HIS 170 10 1 Y 1 A PRO 198 ? A PRO 171 11 1 Y 1 A LEU 199 ? A LEU 172 12 1 Y 1 A ARG 200 ? A ARG 173 13 1 Y 1 A GLU 201 ? A GLU 174 14 1 Y 1 A PRO 202 ? A PRO 175 15 1 Y 1 A VAL 203 ? A VAL 176 16 1 Y 1 A ASN 204 ? A ASN 177 17 1 Y 1 A ALA 205 ? A ALA 178 18 1 Y 1 A THR 206 ? A THR 179 19 1 Y 1 A GLU 207 ? A GLU 180 20 1 Y 1 A ASP 208 ? A ASP 181 21 1 Y 1 A PRO 209 ? A PRO 182 22 1 Y 1 A SER 210 ? A SER 183 23 1 Y 1 A THR 284 ? A THR 257 24 1 Y 1 A ILE 285 ? A ILE 258 25 1 Y 1 A GLY 286 ? A GLY 259 26 1 Y 1 A LYS 294 ? A LYS 267 27 1 Y 1 A LYS 295 ? A LYS 268 28 1 Y 1 A ASN 296 ? A ASN 269 29 1 Y 1 A LEU 297 ? A LEU 270 30 1 Y 1 A THR 298 ? A THR 271 31 1 Y 1 A ARG 299 ? A ARG 272 32 1 Y 1 A LYS 300 ? A LYS 273 33 1 Y 1 A ILE 301 ? A ILE 274 34 1 Y 1 A ARG 302 ? A ARG 275 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 'DIMETHYL SULFOXIDE' DMS 6 BETA-D-MANNOSE BMA 7 ALPHA-D-MANNOSE MAN 8 Toremifene T0R 9 water HOH #