 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour, |
*** ***elNémo ID: 2602120903441229906Job options:ID = 2602120903441229906 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:data_4Y4D # _entry.id 4Y4D # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.399 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 4Y4D pdb_00004y4d 10.2210/pdb4y4d/pdb WWPDB D_1000206841 ? ? # 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 2016-02-17 2 'Structure model' 1 1 2016-05-04 3 'Structure model' 1 2 2016-05-11 4 'Structure model' 1 3 2024-11-20 # _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_details.details ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' 3 4 'Structure model' 'Data collection' 4 4 'Structure model' 'Database references' 5 4 'Structure model' 'Structure summary' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' chem_comp_atom 2 4 'Structure model' chem_comp_bond 3 4 'Structure model' database_2 4 4 'Structure model' pdbx_entry_details 5 4 'Structure model' pdbx_modification_feature # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_database_2.pdbx_DOI' 2 4 'Structure model' '_database_2.pdbx_database_accession' # _pdbx_database_status.status_code REL _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.entry_id 4Y4D _pdbx_database_status.recvd_initial_deposition_date 2015-02-10 _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 _pdbx_database_status.status_code_nmr_data ? # loop_ _pdbx_database_related.db_name _pdbx_database_related.details _pdbx_database_related.db_id _pdbx_database_related.content_type PDB . 3PBD unspecified PDB . 4Y35 unspecified PDB . 4Y36 unspecified PDB . 4Y37 unspecified PDB . 4Y39 unspecified PDB . 4Y3A unspecified PDB . 4Y3D unspecified PDB . 4Y3E unspecified PDB . 4Y3F unspecified PDB . 4Y3G unspecified PDB . 4Y3H unspecified PDB . 4Y3L unspecified PDB . 4Y3M unspecified PDB . 4Y3N unspecified PDB . 4Y3P unspecified PDB . 4Y3Q unspecified PDB . 4Y3R unspecified PDB . 4Y3S unspecified PDB . 4Y3T unspecified PDB . 4Y3W unspecified PDB . 4Y3X unspecified PDB . 4Y3Z unspecified PDB . 4Y41 unspecified PDB . 4Y43 unspecified PDB . 4Y45 unspecified PDB . 4Y47 unspecified PDB . 4Y4A unspecified PDB . 4Y4B unspecified PDB . 4Y4C unspecified PDB . 4Y4E unspecified PDB . 4Y4T unspecified PDB . 4Y4U unspecified PDB . 4Y4W unspecified PDB . 4Y4X unspecified PDB . 4Y4Z unspecified PDB . 4Y50 unspecified PDB . 4Y51 unspecified PDB . 4Y53 unspecified PDB . 4Y54 unspecified PDB . 4Y56 unspecified PDB . 4Y57 unspecified PDB . 4Y58 unspecified PDB . 4Y5A unspecified PDB . 4Y5B unspecified PDB . 4Y5C unspecified PDB . 4Y5E unspecified PDB . 4Y5G unspecified PDB . 4Y5K unspecified PDB . 4Y5L unspecified PDB . 4Y5M unspecified PDB . 4Y5N unspecified PDB . 4Y5P unspecified PDB . 4YCK unspecified PDB . 4YCT unspecified PDB . 4YCY unspecified PDB . 4YD3 unspecified PDB . 4YD4 unspecified PDB . 4YD5 unspecified PDB . 4YD6 unspecified PDB . 4YD7 unspecified PDB . 4Y48 unspecified PDB . 4Y4J unspecified PDB . 4Y4G unspecified PDB . 4Y4D unspecified PDB . 4Y38 unspecified PDB . 4Y3Y unspecified PDB . 4Y3J unspecified # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Huschmann, F.U.' 1 'Linnik, J.' 2 'Weiss, M.S.' 3 'Mueller, U.' 4 # _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 US _citation.database_id_Medline ? _citation.details ? _citation.id primary _citation.journal_abbrev 'Acta Crystallogr.,Sect.F' _citation.journal_id_ASTM ACSFEN _citation.journal_id_CSD ? _citation.journal_id_ISSN 2053-230X _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 72 _citation.language ? _citation.page_first 346 _citation.page_last 355 _citation.title ;Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. ; _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1107/S2053230X16004623 _citation.pdbx_database_id_PubMed 27139825 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Huschmann, F.U.' 1 ? primary 'Linnik, J.' 2 ? primary 'Sparta, K.' 3 ? primary 'Uhlein, M.' 4 ? primary 'Wang, X.' 5 ? primary 'Metz, A.' 6 ? primary 'Schiebel, J.' 7 ? primary 'Heine, A.' 8 ? primary 'Klebe, G.' 9 ? primary 'Weiss, M.S.' 10 ? primary 'Mueller, U.' 11 ? # 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 nat Endothiapepsin 33813.855 1 3.4.23.22 ? ? ? 2 non-polymer syn GLYCEROL 92.094 4 ? ? ? ? 3 non-polymer syn 'ACETATE ION' 59.044 2 ? ? ? ? 4 non-polymer syn 'DIMETHYL SULFOXIDE' 78.133 4 ? ? ? ? 5 non-polymer syn CAFFEINE 194.191 1 ? ? ? ? 6 water nat water 18.015 331 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Aspartate protease' # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYG DGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTAD LGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVS GAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA TTPTLGFASK ; _entity_poly.pdbx_seq_one_letter_code_can ;STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYG DGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTAD LGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVS GAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA TTPTLGFASK ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 GLYCEROL GOL 3 'ACETATE ION' ACT 4 'DIMETHYL SULFOXIDE' DMS 5 CAFFEINE CFF 6 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 THR n 1 3 GLY n 1 4 SER n 1 5 ALA n 1 6 THR n 1 7 THR n 1 8 THR n 1 9 PRO n 1 10 ILE n 1 11 ASP n 1 12 SER n 1 13 LEU n 1 14 ASP n 1 15 ASP n 1 16 ALA n 1 17 TYR n 1 18 ILE n 1 19 THR n 1 20 PRO n 1 21 VAL n 1 22 GLN n 1 23 ILE n 1 24 GLY n 1 25 THR n 1 26 PRO n 1 27 ALA n 1 28 GLN n 1 29 THR n 1 30 LEU n 1 31 ASN n 1 32 LEU n 1 33 ASP n 1 34 PHE n 1 35 ASP n 1 36 THR n 1 37 GLY n 1 38 SER n 1 39 SER n 1 40 ASP n 1 41 LEU n 1 42 TRP n 1 43 VAL n 1 44 PHE n 1 45 SER n 1 46 SER n 1 47 GLU n 1 48 THR n 1 49 THR n 1 50 ALA n 1 51 SER n 1 52 GLU n 1 53 VAL n 1 54 ASP n 1 55 GLY n 1 56 GLN n 1 57 THR n 1 58 ILE n 1 59 TYR n 1 60 THR n 1 61 PRO n 1 62 SER n 1 63 LYS n 1 64 SER n 1 65 THR n 1 66 THR n 1 67 ALA n 1 68 LYS n 1 69 LEU n 1 70 LEU n 1 71 SER n 1 72 GLY n 1 73 ALA n 1 74 THR n 1 75 TRP n 1 76 SER n 1 77 ILE n 1 78 SER n 1 79 TYR n 1 80 GLY n 1 81 ASP n 1 82 GLY n 1 83 SER n 1 84 SER n 1 85 SER n 1 86 SER n 1 87 GLY n 1 88 ASP n 1 89 VAL n 1 90 TYR n 1 91 THR n 1 92 ASP n 1 93 THR n 1 94 VAL n 1 95 SER n 1 96 VAL n 1 97 GLY n 1 98 GLY n 1 99 LEU n 1 100 THR n 1 101 VAL n 1 102 THR n 1 103 GLY n 1 104 GLN n 1 105 ALA n 1 106 VAL n 1 107 GLU n 1 108 SER n 1 109 ALA n 1 110 LYS n 1 111 LYS n 1 112 VAL n 1 113 SER n 1 114 SER n 1 115 SER n 1 116 PHE n 1 117 THR n 1 118 GLU n 1 119 ASP n 1 120 SER n 1 121 THR n 1 122 ILE n 1 123 ASP n 1 124 GLY n 1 125 LEU n 1 126 LEU n 1 127 GLY n 1 128 LEU n 1 129 ALA n 1 130 PHE n 1 131 SER n 1 132 THR n 1 133 LEU n 1 134 ASN n 1 135 THR n 1 136 VAL n 1 137 SER n 1 138 PRO n 1 139 THR n 1 140 GLN n 1 141 GLN n 1 142 LYS n 1 143 THR n 1 144 PHE n 1 145 PHE n 1 146 ASP n 1 147 ASN n 1 148 ALA n 1 149 LYS n 1 150 ALA n 1 151 SER n 1 152 LEU n 1 153 ASP n 1 154 SER n 1 155 PRO n 1 156 VAL n 1 157 PHE n 1 158 THR n 1 159 ALA n 1 160 ASP n 1 161 LEU n 1 162 GLY n 1 163 TYR n 1 164 HIS n 1 165 ALA n 1 166 PRO n 1 167 GLY n 1 168 THR n 1 169 TYR n 1 170 ASN n 1 171 PHE n 1 172 GLY n 1 173 PHE n 1 174 ILE n 1 175 ASP n 1 176 THR n 1 177 THR n 1 178 ALA n 1 179 TYR n 1 180 THR n 1 181 GLY n 1 182 SER n 1 183 ILE n 1 184 THR n 1 185 TYR n 1 186 THR n 1 187 ALA n 1 188 VAL n 1 189 SER n 1 190 THR n 1 191 LYS n 1 192 GLN n 1 193 GLY n 1 194 PHE n 1 195 TRP n 1 196 GLU n 1 197 TRP n 1 198 THR n 1 199 SER n 1 200 THR n 1 201 GLY n 1 202 TYR n 1 203 ALA n 1 204 VAL n 1 205 GLY n 1 206 SER n 1 207 GLY n 1 208 THR n 1 209 PHE n 1 210 LYS n 1 211 SER n 1 212 THR n 1 213 SER n 1 214 ILE n 1 215 ASP n 1 216 GLY n 1 217 ILE n 1 218 ALA n 1 219 ASP n 1 220 THR n 1 221 GLY n 1 222 THR n 1 223 THR n 1 224 LEU n 1 225 LEU n 1 226 TYR n 1 227 LEU n 1 228 PRO n 1 229 ALA n 1 230 THR n 1 231 VAL n 1 232 VAL n 1 233 SER n 1 234 ALA n 1 235 TYR n 1 236 TRP n 1 237 ALA n 1 238 GLN n 1 239 VAL n 1 240 SER n 1 241 GLY n 1 242 ALA n 1 243 LYS n 1 244 SER n 1 245 SER n 1 246 SER n 1 247 SER n 1 248 VAL n 1 249 GLY n 1 250 GLY n 1 251 TYR n 1 252 VAL n 1 253 PHE n 1 254 PRO n 1 255 CYS n 1 256 SER n 1 257 ALA n 1 258 THR n 1 259 LEU n 1 260 PRO n 1 261 SER n 1 262 PHE n 1 263 THR n 1 264 PHE n 1 265 GLY n 1 266 VAL n 1 267 GLY n 1 268 SER n 1 269 ALA n 1 270 ARG n 1 271 ILE n 1 272 VAL n 1 273 ILE n 1 274 PRO n 1 275 GLY n 1 276 ASP n 1 277 TYR n 1 278 ILE n 1 279 ASP n 1 280 PHE n 1 281 GLY n 1 282 PRO n 1 283 ILE n 1 284 SER n 1 285 THR n 1 286 GLY n 1 287 SER n 1 288 SER n 1 289 SER n 1 290 CYS n 1 291 PHE n 1 292 GLY n 1 293 GLY n 1 294 ILE n 1 295 GLN n 1 296 SER n 1 297 SER n 1 298 ALA n 1 299 GLY n 1 300 ILE n 1 301 GLY n 1 302 ILE n 1 303 ASN n 1 304 ILE n 1 305 PHE n 1 306 GLY n 1 307 ASP n 1 308 VAL n 1 309 ALA n 1 310 LEU n 1 311 LYS n 1 312 ALA n 1 313 ALA n 1 314 PHE n 1 315 VAL n 1 316 VAL n 1 317 PHE n 1 318 ASN n 1 319 GLY n 1 320 ALA n 1 321 THR n 1 322 THR n 1 323 PRO n 1 324 THR n 1 325 LEU n 1 326 GLY n 1 327 PHE n 1 328 ALA n 1 329 SER n 1 330 LYS n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num 1 _entity_src_nat.pdbx_end_seq_num 330 _entity_src_nat.common_name 'Chesnut blight fungus' _entity_src_nat.pdbx_organism_scientific 'Cryphonectria parasitica' _entity_src_nat.pdbx_ncbi_taxonomy_id 5116 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # 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 ACT non-polymer . 'ACETATE ION' ? 'C2 H3 O2 -1' 59.044 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 CFF non-polymer . CAFFEINE 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE 'C8 H10 N4 O2' 194.191 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 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # 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 SER 1 1 1 SER SER A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 GLY 3 3 3 GLY GLY A . n A 1 4 SER 4 4 4 SER SER A . n A 1 5 ALA 5 5 5 ALA ALA A . n A 1 6 THR 6 6 6 THR THR A . n A 1 7 THR 7 7 7 THR THR A . n A 1 8 THR 8 8 8 THR THR A . n A 1 9 PRO 9 9 9 PRO PRO A . n A 1 10 ILE 10 10 10 ILE ILE A . n A 1 11 ASP 11 11 11 ASP ASP A . n A 1 12 SER 12 12 12 SER SER A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 ASP 14 14 14 ASP ASP A . n A 1 15 ASP 15 15 15 ASP ASP A . n A 1 16 ALA 16 16 16 ALA ALA A . n A 1 17 TYR 17 17 17 TYR TYR A . n A 1 18 ILE 18 18 18 ILE ILE A . n A 1 19 THR 19 19 19 THR THR A . n A 1 20 PRO 20 20 20 PRO PRO A . n A 1 21 VAL 21 21 21 VAL VAL A . n A 1 22 GLN 22 22 22 GLN GLN A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 GLY 24 24 24 GLY GLY A . n A 1 25 THR 25 25 25 THR THR A . n A 1 26 PRO 26 26 26 PRO PRO A . n A 1 27 ALA 27 27 27 ALA ALA A . n A 1 28 GLN 28 28 28 GLN GLN A . n A 1 29 THR 29 29 29 THR THR A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 ASN 31 31 31 ASN ASN A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 ASP 33 33 33 ASP ASP A . n A 1 34 PHE 34 34 34 PHE PHE A . n A 1 35 ASP 35 35 35 ASP ASP A . n A 1 36 THR 36 36 36 THR THR A . n A 1 37 GLY 37 37 37 GLY GLY A . n A 1 38 SER 38 38 38 SER SER A . n A 1 39 SER 39 39 39 SER SER A . n A 1 40 ASP 40 40 40 ASP ASP A . n A 1 41 LEU 41 41 41 LEU LEU A . n A 1 42 TRP 42 42 42 TRP TRP A . n A 1 43 VAL 43 43 43 VAL VAL A . n A 1 44 PHE 44 44 44 PHE PHE A . n A 1 45 SER 45 45 45 SER SER A . n A 1 46 SER 46 46 46 SER SER A . n A 1 47 GLU 47 47 47 GLU GLU A . n A 1 48 THR 48 48 48 THR THR A . n A 1 49 THR 49 49 49 THR THR A . n A 1 50 ALA 50 50 50 ALA ALA A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 GLU 52 52 52 GLU GLU A . n A 1 53 VAL 53 53 53 VAL VAL A . n A 1 54 ASP 54 54 54 ASP ASP A . n A 1 55 GLY 55 55 55 GLY GLY A . n A 1 56 GLN 56 56 56 GLN GLN A . n A 1 57 THR 57 57 57 THR THR A . n A 1 58 ILE 58 58 58 ILE ILE A . n A 1 59 TYR 59 59 59 TYR TYR A . n A 1 60 THR 60 60 60 THR THR A . n A 1 61 PRO 61 61 61 PRO PRO A . n A 1 62 SER 62 62 62 SER SER A . n A 1 63 LYS 63 63 63 LYS LYS A . n A 1 64 SER 64 64 64 SER SER A . n A 1 65 THR 65 65 65 THR THR A . n A 1 66 THR 66 66 66 THR THR A . n A 1 67 ALA 67 67 67 ALA ALA A . n A 1 68 LYS 68 68 68 LYS LYS A . n A 1 69 LEU 69 69 69 LEU LEU A . n A 1 70 LEU 70 70 70 LEU LEU A . n A 1 71 SER 71 71 71 SER SER A . n A 1 72 GLY 72 72 72 GLY GLY A . n A 1 73 ALA 73 73 73 ALA ALA A . n A 1 74 THR 74 74 74 THR THR A . n A 1 75 TRP 75 75 75 TRP TRP A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 ILE 77 77 77 ILE ILE A . n A 1 78 SER 78 78 78 SER SER A . n A 1 79 TYR 79 79 79 TYR TYR A . n A 1 80 GLY 80 80 80 GLY GLY A . n A 1 81 ASP 81 81 81 ASP ASP A . n A 1 82 GLY 82 82 82 GLY GLY A . n A 1 83 SER 83 83 83 SER SER A . n A 1 84 SER 84 84 84 SER SER A . n A 1 85 SER 85 85 85 SER SER A . n A 1 86 SER 86 86 86 SER SER A . n A 1 87 GLY 87 87 87 GLY GLY A . n A 1 88 ASP 88 88 88 ASP ASP A . n A 1 89 VAL 89 89 89 VAL VAL A . n A 1 90 TYR 90 90 90 TYR TYR A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 ASP 92 92 92 ASP ASP A . n A 1 93 THR 93 93 93 THR THR A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 SER 95 95 95 SER SER A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 GLY 97 97 97 GLY GLY A . n A 1 98 GLY 98 98 98 GLY GLY A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 THR 100 100 100 THR THR A . n A 1 101 VAL 101 101 101 VAL VAL A . n A 1 102 THR 102 102 102 THR THR A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 GLN 104 104 104 GLN GLN A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 VAL 106 106 106 VAL VAL A . n A 1 107 GLU 107 107 107 GLU GLU A . n A 1 108 SER 108 108 108 SER SER A . n A 1 109 ALA 109 109 109 ALA ALA A . n A 1 110 LYS 110 110 110 LYS LYS A . n A 1 111 LYS 111 111 111 LYS LYS A . n A 1 112 VAL 112 112 112 VAL VAL A . n A 1 113 SER 113 113 113 SER SER A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 SER 115 115 115 SER SER A . n A 1 116 PHE 116 116 116 PHE PHE A . n A 1 117 THR 117 117 117 THR THR A . n A 1 118 GLU 118 118 118 GLU GLU A . n A 1 119 ASP 119 119 119 ASP ASP A . n A 1 120 SER 120 120 120 SER SER A . n A 1 121 THR 121 121 121 THR THR A . n A 1 122 ILE 122 122 122 ILE ILE A . n A 1 123 ASP 123 123 123 ASP ASP A . n A 1 124 GLY 124 124 124 GLY GLY A . n A 1 125 LEU 125 125 125 LEU LEU A . n A 1 126 LEU 126 126 126 LEU LEU A . n A 1 127 GLY 127 127 127 GLY GLY A . n A 1 128 LEU 128 128 128 LEU LEU A . n A 1 129 ALA 129 129 129 ALA ALA A . n A 1 130 PHE 130 130 130 PHE PHE A . n A 1 131 SER 131 131 131 SER SER A . n A 1 132 THR 132 132 132 THR THR A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 ASN 134 134 134 ASN ASN A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 SER 137 137 137 SER SER A . n A 1 138 PRO 138 138 138 PRO PRO A . n A 1 139 THR 139 139 139 THR THR A . n A 1 140 GLN 140 140 140 GLN GLN A . n A 1 141 GLN 141 141 141 GLN GLN A . n A 1 142 LYS 142 142 142 LYS LYS A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 PHE 145 145 145 PHE PHE A . n A 1 146 ASP 146 146 146 ASP ASP A . n A 1 147 ASN 147 147 147 ASN ASN A . n A 1 148 ALA 148 148 148 ALA ALA A . n A 1 149 LYS 149 149 149 LYS LYS A . n A 1 150 ALA 150 150 150 ALA ALA A . n A 1 151 SER 151 151 151 SER SER A . n A 1 152 LEU 152 152 152 LEU LEU A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 SER 154 154 154 SER SER A . n A 1 155 PRO 155 155 155 PRO PRO A . n A 1 156 VAL 156 156 156 VAL VAL A . n A 1 157 PHE 157 157 157 PHE PHE A . n A 1 158 THR 158 158 158 THR THR A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 ASP 160 160 160 ASP ASP A . n A 1 161 LEU 161 161 161 LEU LEU A . n A 1 162 GLY 162 162 162 GLY GLY A . n A 1 163 TYR 163 163 163 TYR TYR A . n A 1 164 HIS 164 164 164 HIS HIS A . n A 1 165 ALA 165 165 165 ALA ALA A . n A 1 166 PRO 166 166 166 PRO PRO A . n A 1 167 GLY 167 167 167 GLY GLY A . n A 1 168 THR 168 168 168 THR THR A . n A 1 169 TYR 169 169 169 TYR TYR A . n A 1 170 ASN 170 170 170 ASN ASN A . n A 1 171 PHE 171 171 171 PHE PHE A . n A 1 172 GLY 172 172 172 GLY GLY A . n A 1 173 PHE 173 173 173 PHE PHE A . n A 1 174 ILE 174 174 174 ILE ILE A . n A 1 175 ASP 175 175 175 ASP ASP A . n A 1 176 THR 176 176 176 THR THR A . n A 1 177 THR 177 177 177 THR THR A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 TYR 179 179 179 TYR TYR A . n A 1 180 THR 180 180 180 THR THR A . n A 1 181 GLY 181 181 181 GLY GLY A . n A 1 182 SER 182 182 182 SER SER A . n A 1 183 ILE 183 183 183 ILE ILE A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 TYR 185 185 185 TYR TYR A . n A 1 186 THR 186 186 186 THR THR A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 VAL 188 188 188 VAL VAL A . n A 1 189 SER 189 189 189 SER SER A . n A 1 190 THR 190 190 190 THR THR A . n A 1 191 LYS 191 191 191 LYS LYS A . n A 1 192 GLN 192 192 192 GLN GLN A . n A 1 193 GLY 193 193 193 GLY GLY A . n A 1 194 PHE 194 194 194 PHE PHE A . n A 1 195 TRP 195 195 195 TRP TRP A . n A 1 196 GLU 196 196 196 GLU GLU A . n A 1 197 TRP 197 197 197 TRP TRP A . n A 1 198 THR 198 198 198 THR THR A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 THR 200 200 200 THR THR A . n A 1 201 GLY 201 201 201 GLY GLY A . n A 1 202 TYR 202 202 202 TYR TYR A . n A 1 203 ALA 203 203 203 ALA ALA A . n A 1 204 VAL 204 204 204 VAL VAL A . n A 1 205 GLY 205 205 205 GLY GLY A . n A 1 206 SER 206 206 206 SER SER A . n A 1 207 GLY 207 207 207 GLY GLY A . n A 1 208 THR 208 208 208 THR THR A . n A 1 209 PHE 209 209 209 PHE PHE A . n A 1 210 LYS 210 210 210 LYS LYS A . n A 1 211 SER 211 211 211 SER SER A . n A 1 212 THR 212 212 212 THR THR A . n A 1 213 SER 213 213 213 SER SER A . n A 1 214 ILE 214 214 214 ILE ILE A . n A 1 215 ASP 215 215 215 ASP ASP A . n A 1 216 GLY 216 216 216 GLY GLY A . n A 1 217 ILE 217 217 217 ILE ILE A . n A 1 218 ALA 218 218 218 ALA ALA A . n A 1 219 ASP 219 219 219 ASP ASP A . n A 1 220 THR 220 220 220 THR THR A . n A 1 221 GLY 221 221 221 GLY GLY A . n A 1 222 THR 222 222 222 THR THR A . n A 1 223 THR 223 223 223 THR THR A . n A 1 224 LEU 224 224 224 LEU LEU A . n A 1 225 LEU 225 225 225 LEU LEU A . n A 1 226 TYR 226 226 226 TYR TYR A . n A 1 227 LEU 227 227 227 LEU LEU A . n A 1 228 PRO 228 228 228 PRO PRO A . n A 1 229 ALA 229 229 229 ALA ALA A . n A 1 230 THR 230 230 230 THR THR A . n A 1 231 VAL 231 231 231 VAL VAL A . n A 1 232 VAL 232 232 232 VAL VAL A . n A 1 233 SER 233 233 233 SER SER A . n A 1 234 ALA 234 234 234 ALA ALA A . n A 1 235 TYR 235 235 235 TYR TYR A . n A 1 236 TRP 236 236 236 TRP TRP A . n A 1 237 ALA 237 237 237 ALA ALA A . n A 1 238 GLN 238 238 238 GLN GLN A . n A 1 239 VAL 239 239 239 VAL VAL A . n A 1 240 SER 240 240 240 SER SER A . n A 1 241 GLY 241 241 241 GLY GLY A . n A 1 242 ALA 242 242 242 ALA ALA A . n A 1 243 LYS 243 243 243 LYS LYS A . n A 1 244 SER 244 244 244 SER SER A . n A 1 245 SER 245 245 245 SER SER A . n A 1 246 SER 246 246 246 SER SER A . n A 1 247 SER 247 247 247 SER SER A . n A 1 248 VAL 248 248 248 VAL VAL A . n A 1 249 GLY 249 249 249 GLY GLY A . n A 1 250 GLY 250 250 250 GLY GLY A . n A 1 251 TYR 251 251 251 TYR TYR A . n A 1 252 VAL 252 252 252 VAL VAL A . n A 1 253 PHE 253 253 253 PHE PHE A . n A 1 254 PRO 254 254 254 PRO PRO A . n A 1 255 CYS 255 255 255 CYS CYS A . n A 1 256 SER 256 256 256 SER SER A . n A 1 257 ALA 257 257 257 ALA ALA A . n A 1 258 THR 258 258 258 THR THR A . n A 1 259 LEU 259 259 259 LEU LEU A . n A 1 260 PRO 260 260 260 PRO PRO A . n A 1 261 SER 261 261 261 SER SER A . n A 1 262 PHE 262 262 262 PHE PHE A . n A 1 263 THR 263 263 263 THR THR A . n A 1 264 PHE 264 264 264 PHE PHE A . n A 1 265 GLY 265 265 265 GLY GLY A . n A 1 266 VAL 266 266 266 VAL VAL A . n A 1 267 GLY 267 267 267 GLY GLY A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 ALA 269 269 269 ALA ALA A . n A 1 270 ARG 270 270 270 ARG ARG A . n A 1 271 ILE 271 271 271 ILE ILE A . n A 1 272 VAL 272 272 272 VAL VAL A . n A 1 273 ILE 273 273 273 ILE ILE A . n A 1 274 PRO 274 274 274 PRO PRO A . n A 1 275 GLY 275 275 275 GLY GLY A . n A 1 276 ASP 276 276 276 ASP ASP A . n A 1 277 TYR 277 277 277 TYR TYR A . n A 1 278 ILE 278 278 278 ILE ILE A . n A 1 279 ASP 279 279 279 ASP ASP A . n A 1 280 PHE 280 280 280 PHE PHE A . n A 1 281 GLY 281 281 281 GLY GLY A . n A 1 282 PRO 282 282 282 PRO PRO A . n A 1 283 ILE 283 283 283 ILE ILE A . n A 1 284 SER 284 284 284 SER SER A . n A 1 285 THR 285 285 285 THR THR A . n A 1 286 GLY 286 286 286 GLY GLY A . n A 1 287 SER 287 287 287 SER SER A . n A 1 288 SER 288 288 288 SER SER A . n A 1 289 SER 289 289 289 SER SER A . n A 1 290 CYS 290 290 290 CYS CYS A . n A 1 291 PHE 291 291 291 PHE PHE A . n A 1 292 GLY 292 292 292 GLY GLY A . n A 1 293 GLY 293 293 293 GLY GLY A . n A 1 294 ILE 294 294 294 ILE ILE A . n A 1 295 GLN 295 295 295 GLN GLN A . n A 1 296 SER 296 296 296 SER SER A . n A 1 297 SER 297 297 297 SER SER A . n A 1 298 ALA 298 298 298 ALA ALA A . n A 1 299 GLY 299 299 299 GLY GLY A . n A 1 300 ILE 300 300 300 ILE ILE A . n A 1 301 GLY 301 301 301 GLY GLY A . n A 1 302 ILE 302 302 302 ILE ILE A . n A 1 303 ASN 303 303 303 ASN ASN A . n A 1 304 ILE 304 304 304 ILE ILE A . n A 1 305 PHE 305 305 305 PHE PHE A . n A 1 306 GLY 306 306 306 GLY GLY A . n A 1 307 ASP 307 307 307 ASP ASP A . n A 1 308 VAL 308 308 308 VAL VAL A . n A 1 309 ALA 309 309 309 ALA ALA A . n A 1 310 LEU 310 310 310 LEU LEU A . n A 1 311 LYS 311 311 311 LYS LYS A . n A 1 312 ALA 312 312 312 ALA ALA A . n A 1 313 ALA 313 313 313 ALA ALA A . n A 1 314 PHE 314 314 314 PHE PHE A . n A 1 315 VAL 315 315 315 VAL VAL A . n A 1 316 VAL 316 316 316 VAL VAL A . n A 1 317 PHE 317 317 317 PHE PHE A . n A 1 318 ASN 318 318 318 ASN ASN A . n A 1 319 GLY 319 319 319 GLY GLY A . n A 1 320 ALA 320 320 320 ALA ALA A . n A 1 321 THR 321 321 321 THR THR A . n A 1 322 THR 322 322 322 THR THR A . n A 1 323 PRO 323 323 323 PRO PRO A . n A 1 324 THR 324 324 324 THR THR A . n A 1 325 LEU 325 325 325 LEU LEU A . n A 1 326 GLY 326 326 326 GLY GLY A . n A 1 327 PHE 327 327 327 PHE PHE A . n A 1 328 ALA 328 328 328 ALA ALA A . n A 1 329 SER 329 329 329 SER SER A . n A 1 330 LYS 330 330 330 LYS LYS A . 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 B 2 GOL 1 401 401 GOL GOL A . C 2 GOL 1 402 402 GOL GOL A . D 2 GOL 1 403 403 GOL GOL A . E 2 GOL 1 404 404 GOL GOL A . F 3 ACT 1 405 405 ACT ACT A . G 3 ACT 1 406 406 ACT ACT A . H 4 DMS 1 407 407 DMS DMS A . I 4 DMS 1 408 408 DMS DMS A . J 4 DMS 1 409 409 DMS DMS A . K 4 DMS 1 410 410 DMS DMS A . L 5 CFF 1 411 411 CFF CFF A . M 6 HOH 1 501 501 HOH HOH A . M 6 HOH 2 509 509 HOH HOH A . M 6 HOH 3 520 520 HOH HOH A . M 6 HOH 4 533 533 HOH HOH A . M 6 HOH 5 538 538 HOH HOH A . M 6 HOH 6 568 568 HOH HOH A . M 6 HOH 7 569 569 HOH HOH A . M 6 HOH 8 582 582 HOH HOH A . M 6 HOH 9 588 588 HOH HOH A . M 6 HOH 10 589 589 HOH HOH A . M 6 HOH 11 594 594 HOH HOH A . M 6 HOH 12 612 612 HOH HOH A . M 6 HOH 13 621 621 HOH HOH A . M 6 HOH 14 629 629 HOH HOH A . M 6 HOH 15 638 638 HOH HOH A . M 6 HOH 16 674 674 HOH HOH A . M 6 HOH 17 677 677 HOH HOH A . M 6 HOH 18 678 678 HOH HOH A . M 6 HOH 19 686 686 HOH HOH A . M 6 HOH 20 690 690 HOH HOH A . M 6 HOH 21 696 696 HOH HOH A . M 6 HOH 22 714 714 HOH HOH A . M 6 HOH 23 731 731 HOH HOH A . M 6 HOH 24 733 733 HOH HOH A . M 6 HOH 25 738 738 HOH HOH A . M 6 HOH 26 744 744 HOH HOH A . M 6 HOH 27 747 747 HOH HOH A . M 6 HOH 28 748 748 HOH HOH A . M 6 HOH 29 760 760 HOH HOH A . M 6 HOH 30 775 775 HOH HOH A . M 6 HOH 31 786 786 HOH HOH A . M 6 HOH 32 787 787 HOH HOH A . M 6 HOH 33 797 797 HOH HOH A . M 6 HOH 34 798 798 HOH HOH A . M 6 HOH 35 804 804 HOH HOH A . M 6 HOH 36 807 807 HOH HOH A . M 6 HOH 37 813 813 HOH HOH A . M 6 HOH 38 817 817 HOH HOH A . M 6 HOH 39 819 819 HOH HOH A . M 6 HOH 40 826 826 HOH HOH A . M 6 HOH 41 830 830 HOH HOH A . M 6 HOH 42 835 835 HOH HOH A . M 6 HOH 43 852 852 HOH HOH A . M 6 HOH 44 858 858 HOH HOH A . M 6 HOH 45 864 864 HOH HOH A . M 6 HOH 46 867 867 HOH HOH A . M 6 HOH 47 875 875 HOH HOH A . M 6 HOH 48 877 877 HOH HOH A . M 6 HOH 49 881 881 HOH HOH A . M 6 HOH 50 883 883 HOH HOH A . M 6 HOH 51 895 895 HOH HOH A . M 6 HOH 52 896 896 HOH HOH A . M 6 HOH 53 897 897 HOH HOH A . M 6 HOH 54 899 899 HOH HOH A . M 6 HOH 55 905 905 HOH HOH A . M 6 HOH 56 913 913 HOH HOH A . M 6 HOH 57 914 914 HOH HOH A . M 6 HOH 58 925 925 HOH HOH A . M 6 HOH 59 932 932 HOH HOH A . M 6 HOH 60 938 938 HOH HOH A . M 6 HOH 61 948 948 HOH HOH A . M 6 HOH 62 950 950 HOH HOH A . M 6 HOH 63 955 955 HOH HOH A . M 6 HOH 64 959 959 HOH HOH A . M 6 HOH 65 970 970 HOH HOH A . M 6 HOH 66 971 971 HOH HOH A . M 6 HOH 67 978 978 HOH HOH A . M 6 HOH 68 988 988 HOH HOH A . M 6 HOH 69 992 992 HOH HOH A . M 6 HOH 70 995 995 HOH HOH A . M 6 HOH 71 996 996 HOH HOH A . M 6 HOH 72 997 997 HOH HOH A . M 6 HOH 73 1005 1005 HOH HOH A . M 6 HOH 74 1010 1010 HOH HOH A . M 6 HOH 75 1014 1014 HOH HOH A . M 6 HOH 76 1015 1015 HOH HOH A . M 6 HOH 77 1026 1026 HOH HOH A . M 6 HOH 78 1030 1030 HOH HOH A . M 6 HOH 79 1038 1038 HOH HOH A . M 6 HOH 80 1046 1046 HOH HOH A . M 6 HOH 81 1058 1058 HOH HOH A . M 6 HOH 82 1070 1070 HOH HOH A . M 6 HOH 83 1071 1071 HOH HOH A . M 6 HOH 84 1079 1079 HOH HOH A . M 6 HOH 85 1081 1081 HOH HOH A . M 6 HOH 86 1089 1089 HOH HOH A . M 6 HOH 87 1092 1092 HOH HOH A . M 6 HOH 88 1095 1095 HOH HOH A . M 6 HOH 89 1096 1096 HOH HOH A . M 6 HOH 90 1101 1101 HOH HOH A . M 6 HOH 91 1102 1102 HOH HOH A . M 6 HOH 92 1107 1107 HOH HOH A . M 6 HOH 93 1109 1109 HOH HOH A . M 6 HOH 94 1110 1110 HOH HOH A . M 6 HOH 95 1111 1111 HOH HOH A . M 6 HOH 96 1115 1115 HOH HOH A . M 6 HOH 97 1118 1118 HOH HOH A . M 6 HOH 98 1124 1124 HOH HOH A . M 6 HOH 99 1140 1140 HOH HOH A . M 6 HOH 100 1141 1141 HOH HOH A . M 6 HOH 101 1149 1149 HOH HOH A . M 6 HOH 102 1150 1150 HOH HOH A . M 6 HOH 103 1151 1151 HOH HOH A . M 6 HOH 104 1161 1161 HOH HOH A . M 6 HOH 105 1167 1167 HOH HOH A . M 6 HOH 106 1172 1172 HOH HOH A . M 6 HOH 107 1173 1173 HOH HOH A . M 6 HOH 108 1180 1180 HOH HOH A . M 6 HOH 109 1188 1188 HOH HOH A . M 6 HOH 110 1190 1190 HOH HOH A . M 6 HOH 111 1207 1207 HOH HOH A . M 6 HOH 112 1210 1210 HOH HOH A . M 6 HOH 113 1220 1220 HOH HOH A . M 6 HOH 114 1221 1221 HOH HOH A . M 6 HOH 115 1223 1223 HOH HOH A . M 6 HOH 116 1226 1226 HOH HOH A . M 6 HOH 117 1227 1227 HOH HOH A . M 6 HOH 118 1228 1228 HOH HOH A . M 6 HOH 119 1236 1236 HOH HOH A . M 6 HOH 120 1237 1237 HOH HOH A . M 6 HOH 121 1244 1244 HOH HOH A . M 6 HOH 122 1260 1260 HOH HOH A . M 6 HOH 123 1282 1282 HOH HOH A . M 6 HOH 124 1286 1286 HOH HOH A . M 6 HOH 125 1290 1290 HOH HOH A . M 6 HOH 126 1292 1292 HOH HOH A . M 6 HOH 127 1299 1299 HOH HOH A . M 6 HOH 128 1302 1302 HOH HOH A . M 6 HOH 129 1304 1304 HOH HOH A . M 6 HOH 130 1306 1306 HOH HOH A . M 6 HOH 131 1311 1311 HOH HOH A . M 6 HOH 132 1316 1316 HOH HOH A . M 6 HOH 133 1317 1317 HOH HOH A . M 6 HOH 134 1329 1329 HOH HOH A . M 6 HOH 135 1340 1340 HOH HOH A . M 6 HOH 136 1345 1345 HOH HOH A . M 6 HOH 137 1346 1346 HOH HOH A . M 6 HOH 138 1349 1349 HOH HOH A . M 6 HOH 139 1355 1355 HOH HOH A . M 6 HOH 140 1359 1359 HOH HOH A . M 6 HOH 141 1361 1361 HOH HOH A . M 6 HOH 142 1365 1365 HOH HOH A . M 6 HOH 143 1369 1369 HOH HOH A . M 6 HOH 144 1381 1381 HOH HOH A . M 6 HOH 145 1384 1384 HOH HOH A . M 6 HOH 146 1385 1385 HOH HOH A . M 6 HOH 147 1391 1391 HOH HOH A . M 6 HOH 148 1394 1394 HOH HOH A . M 6 HOH 149 1401 1401 HOH HOH A . M 6 HOH 150 1407 1407 HOH HOH A . M 6 HOH 151 1410 1410 HOH HOH A . M 6 HOH 152 1417 1417 HOH HOH A . M 6 HOH 153 1419 1419 HOH HOH A . M 6 HOH 154 1421 1421 HOH HOH A . M 6 HOH 155 1441 1441 HOH HOH A . M 6 HOH 156 1450 1450 HOH HOH A . M 6 HOH 157 1459 1459 HOH HOH A . M 6 HOH 158 1461 1461 HOH HOH A . M 6 HOH 159 1463 1463 HOH HOH A . M 6 HOH 160 1475 1475 HOH HOH A . M 6 HOH 161 1485 1485 HOH HOH A . M 6 HOH 162 1486 1486 HOH HOH A . M 6 HOH 163 1488 1488 HOH HOH A . M 6 HOH 164 1495 1495 HOH HOH A . M 6 HOH 165 1503 1503 HOH HOH A . M 6 HOH 166 1508 1508 HOH HOH A . M 6 HOH 167 1515 1515 HOH HOH A . M 6 HOH 168 1516 1516 HOH HOH A . M 6 HOH 169 1523 1523 HOH HOH A . M 6 HOH 170 1534 1534 HOH HOH A . M 6 HOH 171 1535 1535 HOH HOH A . M 6 HOH 172 1538 1538 HOH HOH A . M 6 HOH 173 1540 1540 HOH HOH A . M 6 HOH 174 1547 1547 HOH HOH A . M 6 HOH 175 1550 1550 HOH HOH A . M 6 HOH 176 1555 1555 HOH HOH A . M 6 HOH 177 1562 1562 HOH HOH A . M 6 HOH 178 1566 1566 HOH HOH A . M 6 HOH 179 1567 1567 HOH HOH A . M 6 HOH 180 1569 1569 HOH HOH A . M 6 HOH 181 1572 1572 HOH HOH A . M 6 HOH 182 1573 1573 HOH HOH A . M 6 HOH 183 1581 1581 HOH HOH A . M 6 HOH 184 1593 1593 HOH HOH A . M 6 HOH 185 1594 1594 HOH HOH A . M 6 HOH 186 1595 1595 HOH HOH A . M 6 HOH 187 1610 1610 HOH HOH A . M 6 HOH 188 1612 1612 HOH HOH A . M 6 HOH 189 1619 1619 HOH HOH A . M 6 HOH 190 1627 1627 HOH HOH A . M 6 HOH 191 1630 1630 HOH HOH A . M 6 HOH 192 1631 1631 HOH HOH A . M 6 HOH 193 1637 1637 HOH HOH A . M 6 HOH 194 1638 1638 HOH HOH A . M 6 HOH 195 1640 1640 HOH HOH A . M 6 HOH 196 1641 1641 HOH HOH A . M 6 HOH 197 1645 1645 HOH HOH A . M 6 HOH 198 1651 1651 HOH HOH A . M 6 HOH 199 1656 1656 HOH HOH A . M 6 HOH 200 1658 1658 HOH HOH A . M 6 HOH 201 1672 1672 HOH HOH A . M 6 HOH 202 1677 1677 HOH HOH A . M 6 HOH 203 1683 1683 HOH HOH A . M 6 HOH 204 1684 1684 HOH HOH A . M 6 HOH 205 1688 1688 HOH HOH A . M 6 HOH 206 1689 1689 HOH HOH A . M 6 HOH 207 1690 1690 HOH HOH A . M 6 HOH 208 1694 1694 HOH HOH A . M 6 HOH 209 1699 1699 HOH HOH A . M 6 HOH 210 1700 1700 HOH HOH A . M 6 HOH 211 1706 1706 HOH HOH A . M 6 HOH 212 1709 1709 HOH HOH A . M 6 HOH 213 1716 1716 HOH HOH A . M 6 HOH 214 1718 1718 HOH HOH A . M 6 HOH 215 1722 1722 HOH HOH A . M 6 HOH 216 1731 1731 HOH HOH A . M 6 HOH 217 1733 1733 HOH HOH A . M 6 HOH 218 1739 1739 HOH HOH A . M 6 HOH 219 1745 1745 HOH HOH A . M 6 HOH 220 1757 1757 HOH HOH A . M 6 HOH 221 1772 1772 HOH HOH A . M 6 HOH 222 1776 1776 HOH HOH A . M 6 HOH 223 1782 1782 HOH HOH A . M 6 HOH 224 1784 1784 HOH HOH A . M 6 HOH 225 1788 1788 HOH HOH A . M 6 HOH 226 1792 1792 HOH HOH A . M 6 HOH 227 1805 1805 HOH HOH A . M 6 HOH 228 1806 1806 HOH HOH A . M 6 HOH 229 1820 1820 HOH HOH A . M 6 HOH 230 1832 1832 HOH HOH A . M 6 HOH 231 1836 1836 HOH HOH A . M 6 HOH 232 1839 1839 HOH HOH A . M 6 HOH 233 1840 1840 HOH HOH A . M 6 HOH 234 1844 1844 HOH HOH A . M 6 HOH 235 1846 1846 HOH HOH A . M 6 HOH 236 1850 1850 HOH HOH A . M 6 HOH 237 1851 1851 HOH HOH A . M 6 HOH 238 1853 1853 HOH HOH A . M 6 HOH 239 1857 1857 HOH HOH A . M 6 HOH 240 1883 1883 HOH HOH A . M 6 HOH 241 1891 1891 HOH HOH A . M 6 HOH 242 1892 1892 HOH HOH A . M 6 HOH 243 1894 1894 HOH HOH A . M 6 HOH 244 1897 1897 HOH HOH A . M 6 HOH 245 1906 1906 HOH HOH A . M 6 HOH 246 1932 1932 HOH HOH A . M 6 HOH 247 1936 1936 HOH HOH A . M 6 HOH 248 1954 1954 HOH HOH A . M 6 HOH 249 1958 1958 HOH HOH A . M 6 HOH 250 1969 1969 HOH HOH A . M 6 HOH 251 1977 1977 HOH HOH A . M 6 HOH 252 1979 1979 HOH HOH A . M 6 HOH 253 1987 1987 HOH HOH A . M 6 HOH 254 1999 1999 HOH HOH A . M 6 HOH 255 2022 2022 HOH HOH A . M 6 HOH 256 2026 2026 HOH HOH A . M 6 HOH 257 2045 2045 HOH HOH A . M 6 HOH 258 2055 2055 HOH HOH A . M 6 HOH 259 2057 2057 HOH HOH A . M 6 HOH 260 2060 2060 HOH HOH A . M 6 HOH 261 2070 2070 HOH HOH A . M 6 HOH 262 2073 2073 HOH HOH A . M 6 HOH 263 2084 2084 HOH HOH A . M 6 HOH 264 2085 2085 HOH HOH A . M 6 HOH 265 2093 2093 HOH HOH A . M 6 HOH 266 2095 2095 HOH HOH A . M 6 HOH 267 2102 2102 HOH HOH A . M 6 HOH 268 2103 2103 HOH HOH A . M 6 HOH 269 2107 2107 HOH HOH A . M 6 HOH 270 2110 2110 HOH HOH A . M 6 HOH 271 2125 2125 HOH HOH A . M 6 HOH 272 2137 2137 HOH HOH A . M 6 HOH 273 2140 2140 HOH HOH A . M 6 HOH 274 2151 2151 HOH HOH A . M 6 HOH 275 2159 2159 HOH HOH A . M 6 HOH 276 2162 2162 HOH HOH A . M 6 HOH 277 2163 2163 HOH HOH A . M 6 HOH 278 2166 2166 HOH HOH A . M 6 HOH 279 2167 2167 HOH HOH A . M 6 HOH 280 2168 2168 HOH HOH A . M 6 HOH 281 2170 2170 HOH HOH A . M 6 HOH 282 2177 2177 HOH HOH A . M 6 HOH 283 2180 2180 HOH HOH A . M 6 HOH 284 2185 2185 HOH HOH A . M 6 HOH 285 2198 2198 HOH HOH A . M 6 HOH 286 2216 2216 HOH HOH A . M 6 HOH 287 2220 2220 HOH HOH A . M 6 HOH 288 2227 2227 HOH HOH A . M 6 HOH 289 2247 2247 HOH HOH A . M 6 HOH 290 2250 2250 HOH HOH A . M 6 HOH 291 2256 2256 HOH HOH A . M 6 HOH 292 2274 2274 HOH HOH A . M 6 HOH 293 2278 2278 HOH HOH A . M 6 HOH 294 2290 2290 HOH HOH A . M 6 HOH 295 2307 2307 HOH HOH A . M 6 HOH 296 2308 2308 HOH HOH A . M 6 HOH 297 2327 2327 HOH HOH A . M 6 HOH 298 2329 2329 HOH HOH A . M 6 HOH 299 2330 2330 HOH HOH A . M 6 HOH 300 2331 2331 HOH HOH A . M 6 HOH 301 2335 2335 HOH HOH A . M 6 HOH 302 2339 2339 HOH HOH A . M 6 HOH 303 2344 2344 HOH HOH A . M 6 HOH 304 2353 2353 HOH HOH A . M 6 HOH 305 2354 2354 HOH HOH A . M 6 HOH 306 2355 2355 HOH HOH A . M 6 HOH 307 2357 2357 HOH HOH A . M 6 HOH 308 2364 2364 HOH HOH A . M 6 HOH 309 2387 2387 HOH HOH A . M 6 HOH 310 2415 2415 HOH HOH A . M 6 HOH 311 2445 2445 HOH HOH A . M 6 HOH 312 2451 2451 HOH HOH A . M 6 HOH 313 2459 2459 HOH HOH A . M 6 HOH 314 2483 2483 HOH HOH A . M 6 HOH 315 2505 2505 HOH HOH A . M 6 HOH 316 2518 2518 HOH HOH A . M 6 HOH 317 2520 2520 HOH HOH A . M 6 HOH 318 2524 2524 HOH HOH A . M 6 HOH 319 2529 2529 HOH HOH A . M 6 HOH 320 2533 2533 HOH HOH A . M 6 HOH 321 2535 2535 HOH HOH A . M 6 HOH 322 2539 2539 HOH HOH A . M 6 HOH 323 2540 2540 HOH HOH A . M 6 HOH 324 2602 2602 HOH HOH A . M 6 HOH 325 2611 2611 HOH HOH A . M 6 HOH 326 2625 2625 HOH HOH A . M 6 HOH 327 2643 2643 HOH HOH A . M 6 HOH 328 2650 2650 HOH HOH A . M 6 HOH 329 2660 2660 HOH HOH A . M 6 HOH 330 2677 2677 HOH HOH A . M 6 HOH 331 2688 2688 HOH HOH A . # 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 63 ? CE ? A LYS 63 CE 2 1 Y 1 A LYS 63 ? NZ ? A LYS 63 NZ 3 1 Y 1 A LYS 68 ? CD ? A LYS 68 CD 4 1 Y 1 A LYS 68 ? CE ? A LYS 68 CE 5 1 Y 1 A LYS 68 ? NZ ? A LYS 68 NZ 6 1 Y 1 A LYS 110 ? CE ? A LYS 110 CE 7 1 Y 1 A LYS 110 ? NZ ? A LYS 110 NZ 8 1 Y 1 A LYS 111 ? NZ ? A LYS 111 NZ 9 1 Y 1 A LYS 142 ? NZ ? A LYS 142 NZ 10 1 Y 1 A LYS 149 ? NZ ? A LYS 149 NZ 11 1 Y 1 A LYS 191 ? CG ? A LYS 191 CG 12 1 Y 1 A LYS 191 ? CD ? A LYS 191 CD 13 1 Y 1 A LYS 191 ? CE ? A LYS 191 CE 14 1 Y 1 A LYS 191 ? NZ ? A LYS 191 NZ 15 1 Y 1 A LYS 243 ? NZ ? A LYS 243 NZ # 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 ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.9_1692 1 ? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot ? ? ? 'coot 0.6.2' 2 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 3 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 4 # _cell.entry_id 4Y4D _cell.length_a 45.300 _cell.length_b 72.936 _cell.length_c 52.508 _cell.angle_alpha 90.00 _cell.angle_beta 109.14 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? # _symmetry.entry_id 4Y4D _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 # _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 4Y4D _exptl.crystals_number ? _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 1.89 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 35.04 _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 4.6 _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 290 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000, crystals obtained by streak seeding' _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' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2013-08-02 # _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 0.918409 _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 'BESSY BEAMLINE 14.1' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 0.918409 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 14.1 _diffrn_source.pdbx_synchrotron_site BESSY # _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.entry_id 4Y4D _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 42.796 _reflns.d_resolution_high 1.269 _reflns.number_obs 84800 _reflns.number_all ? _reflns.percent_possible_obs 99.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.05700 _reflns.pdbx_netI_over_sigmaI 14.2100 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.740 # _reflns_shell.pdbx_diffrn_id 1 _reflns_shell.pdbx_ordinal 1 _reflns_shell.d_res_high 1.27 _reflns_shell.d_res_low 1.35 _reflns_shell.percent_possible_all 99.3 _reflns_shell.Rmerge_I_obs 0.56000 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 3.64 # _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.B_iso_max ? _refine.B_iso_mean ? _refine.B_iso_min ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.details ? _refine.diff_density_max ? _refine.diff_density_max_esd ? _refine.diff_density_min ? _refine.diff_density_min_esd ? _refine.diff_density_rms ? _refine.diff_density_rms_esd ? _refine.entry_id 4Y4D _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_abs_structure_details ? _refine.ls_abs_structure_Flack ? _refine.ls_abs_structure_Flack_esd ? _refine.ls_abs_structure_Rogers ? _refine.ls_abs_structure_Rogers_esd ? _refine.ls_d_res_high 1.269 _refine.ls_d_res_low 42.795 _refine.ls_extinction_coef ? _refine.ls_extinction_coef_esd ? _refine.ls_extinction_expression ? _refine.ls_extinction_method ? _refine.ls_goodness_of_fit_all ? _refine.ls_goodness_of_fit_all_esd ? _refine.ls_goodness_of_fit_obs ? _refine.ls_goodness_of_fit_obs_esd ? _refine.ls_hydrogen_treatment ? _refine.ls_matrix_type ? _refine.ls_number_constraints ? _refine.ls_number_parameters ? _refine.ls_number_reflns_all ? _refine.ls_number_reflns_obs 84799 _refine.ls_number_reflns_R_free 4240 _refine.ls_number_reflns_R_work ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_obs 99.75 _refine.ls_percent_reflns_R_free 5.00 _refine.ls_R_factor_all ? _refine.ls_R_factor_obs 0.1188 _refine.ls_R_factor_R_free 0.1449 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_R_factor_R_work 0.1175 _refine.ls_R_Fsqd_factor_obs ? _refine.ls_R_I_factor_obs ? _refine.ls_redundancy_reflns_all ? _refine.ls_redundancy_reflns_obs ? _refine.ls_restrained_S_all ? _refine.ls_restrained_S_obs ? _refine.ls_shift_over_esd_max ? _refine.ls_shift_over_esd_mean ? _refine.ls_structure_factor_coef ? _refine.ls_weighting_details ? _refine.ls_weighting_scheme ? _refine.ls_wR_factor_all ? _refine.ls_wR_factor_obs ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.ls_R_factor_gt ? _refine.ls_goodness_of_fit_gt ? _refine.ls_goodness_of_fit_ref ? _refine.ls_shift_over_su_max ? _refine.ls_shift_over_su_max_lt ? _refine.ls_shift_over_su_mean ? _refine.ls_shift_over_su_mean_lt ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.37 _refine.pdbx_ls_sigma_Fsqd ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_R_Free_selection_details 'Random selection' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_real_space_R ? _refine.pdbx_density_correlation ? _refine.pdbx_pd_number_of_powder_patterns ? _refine.pdbx_pd_number_of_points ? _refine.pdbx_pd_meas_number_of_points ? _refine.pdbx_pd_proc_ls_prof_R_factor ? _refine.pdbx_pd_proc_ls_prof_wR_factor ? _refine.pdbx_pd_Marquardt_correlation_coeff ? _refine.pdbx_pd_Fsqrd_R_factor ? _refine.pdbx_pd_ls_matrix_band_width ? _refine.pdbx_overall_phase_error 13.02 _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_diffrn_id 1 _refine.overall_SU_B ? _refine.overall_SU_ML 0.10 _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_average_fsc_overall ? _refine.pdbx_average_fsc_work ? _refine.pdbx_average_fsc_free ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2374 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 62 _refine_hist.number_atoms_solvent 331 _refine_hist.number_atoms_total 2767 _refine_hist.d_res_high 1.269 _refine_hist.d_res_low 42.795 # loop_ _refine_ls_restr.pdbx_refine_id _refine_ls_restr.criterion _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.number _refine_ls_restr.rejects _refine_ls_restr.type _refine_ls_restr.weight _refine_ls_restr.pdbx_restraint_function 'X-RAY DIFFRACTION' ? 0.007 ? 2602 ? f_bond_d ? ? 'X-RAY DIFFRACTION' ? 1.201 ? 3585 ? f_angle_d ? ? 'X-RAY DIFFRACTION' ? 10.474 ? 876 ? f_dihedral_angle_d ? ? 'X-RAY DIFFRACTION' ? 0.071 ? 419 ? f_chiral_restr ? ? 'X-RAY DIFFRACTION' ? 0.006 ? 490 ? f_plane_restr ? ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_all _refine_ls_shell.number_reflns_obs _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.R_factor_all _refine_ls_shell.R_factor_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.R_factor_R_work _refine_ls_shell.redundancy_reflns_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.wR_factor_all _refine_ls_shell.wR_factor_obs _refine_ls_shell.wR_factor_R_free _refine_ls_shell.wR_factor_R_work _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.pdbx_phase_error _refine_ls_shell.pdbx_fsc_work _refine_ls_shell.pdbx_fsc_free 'X-RAY DIFFRACTION' 1.2694 1.2838 . . 138 2638 98.00 . . . 0.2013 . 0.1987 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.2838 1.2989 . . 142 2681 100.00 . . . 0.2431 . 0.1982 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.2989 1.3148 . . 140 2666 100.00 . . . 0.2485 . 0.1972 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.3148 1.3314 . . 141 2676 100.00 . . . 0.2040 . 0.1889 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.3314 1.3489 . . 140 2673 100.00 . . . 0.2113 . 0.1820 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.3489 1.3674 . . 141 2667 100.00 . . . 0.2118 . 0.1742 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.3674 1.3869 . . 142 2694 100.00 . . . 0.2014 . 0.1643 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.3869 1.4077 . . 140 2666 100.00 . . . 0.1854 . 0.1552 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.4077 1.4297 . . 142 2694 100.00 . . . 0.1732 . 0.1405 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.4297 1.4531 . . 141 2692 100.00 . . . 0.1579 . 0.1395 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.4531 1.4781 . . 140 2648 100.00 . . . 0.1530 . 0.1274 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.4781 1.5050 . . 142 2706 100.00 . . . 0.1652 . 0.1252 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.5050 1.5340 . . 140 2662 100.00 . . . 0.1526 . 0.1154 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.5340 1.5653 . . 142 2700 100.00 . . . 0.1422 . 0.1088 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.5653 1.5993 . . 139 2639 100.00 . . . 0.1518 . 0.1038 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.5993 1.6365 . . 143 2705 100.00 . . . 0.1497 . 0.1012 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.6365 1.6775 . . 141 2684 100.00 . . . 0.1555 . 0.0995 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.6775 1.7228 . . 140 2667 100.00 . . . 0.1298 . 0.0944 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.7228 1.7735 . . 142 2701 100.00 . . . 0.1263 . 0.0898 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.7735 1.8308 . . 141 2671 100.00 . . . 0.1345 . 0.0889 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.8308 1.8962 . . 142 2698 100.00 . . . 0.1182 . 0.0894 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.8962 1.9721 . . 142 2700 100.00 . . . 0.1344 . 0.0878 . . . . . . . . . . 'X-RAY DIFFRACTION' 1.9721 2.0619 . . 141 2686 100.00 . . . 0.1082 . 0.0867 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.0619 2.1706 . . 142 2685 100.00 . . . 0.1184 . 0.0849 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.1706 2.3065 . . 141 2683 100.00 . . . 0.1115 . 0.0922 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.3065 2.4846 . . 143 2710 100.00 . . . 0.1281 . 0.1024 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.4846 2.7346 . . 141 2689 100.00 . . . 0.1195 . 0.1046 . . . . . . . . . . 'X-RAY DIFFRACTION' 2.7346 3.1302 . . 142 2703 100.00 . . . 0.1284 . 0.1111 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.1302 3.9433 . . 143 2719 100.00 . . . 0.1415 . 0.1195 . . . . . . . . . . 'X-RAY DIFFRACTION' 3.9433 42.8196 . . 146 2756 99.00 . . . 0.1675 . 0.1529 . . . . . . . . . . # _struct.entry_id 4Y4D _struct.title 'Endothiapepsin in complex with fragment B51' _struct.pdbx_model_details ? _struct.pdbx_formula_weight ? _struct.pdbx_formula_weight_method ? _struct.pdbx_model_type_details ? _struct.pdbx_CASP_flag ? # _struct_keywords.entry_id 4Y4D _struct_keywords.text 'fragment screening, aspartic protease inhibition, hydrolase' _struct_keywords.pdbx_keywords HYDROLASE # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 3 ? G N N 3 ? H N N 4 ? I N N 4 ? J N N 4 ? K N N 4 ? L N N 5 ? M N N 6 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code CARP_CRYPA _struct_ref.pdbx_db_accession P11838 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYG DGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTAD LGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVS GAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA TTPTLGFASK ; _struct_ref.pdbx_align_begin 90 # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4Y4D _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 330 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P11838 _struct_ref_seq.db_align_beg 90 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 419 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 330 # _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 monomeric _pdbx_struct_assembly.oligomeric_count 1 # 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)' 2370 ? 1 MORE 5 ? 1 'SSA (A^2)' 12960 ? # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _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 THR A 49 ? VAL A 53 ? THR A 49 VAL A 53 5 ? 5 HELX_P HELX_P2 AA2 THR A 60 ? SER A 64 ? THR A 60 SER A 64 5 ? 5 HELX_P HELX_P3 AA3 SER A 113 ? GLU A 118 ? SER A 113 GLU A 118 1 ? 6 HELX_P HELX_P4 AA4 PHE A 130 ? ASN A 134 ? PHE A 130 ASN A 134 5 ? 5 HELX_P HELX_P5 AA5 THR A 143 ? LYS A 149 ? THR A 143 LYS A 149 1 ? 7 HELX_P HELX_P6 AA6 ALA A 150 ? LEU A 152 ? ALA A 150 LEU A 152 5 ? 3 HELX_P HELX_P7 AA7 PRO A 228 ? ALA A 237 ? PRO A 228 ALA A 237 1 ? 10 HELX_P HELX_P8 AA8 PRO A 274 ? TYR A 277 ? PRO A 274 TYR A 277 5 ? 4 HELX_P HELX_P9 AA9 GLY A 306 ? LYS A 311 ? GLY A 306 LYS A 311 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_conn.id disulf1 _struct_conn.conn_type_id disulf _struct_conn.pdbx_leaving_atom_flag ? _struct_conn.pdbx_PDB_id ? _struct_conn.ptnr1_label_asym_id A _struct_conn.ptnr1_label_comp_id CYS _struct_conn.ptnr1_label_seq_id 255 _struct_conn.ptnr1_label_atom_id SG _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 1_555 _struct_conn.ptnr2_label_asym_id A _struct_conn.ptnr2_label_comp_id CYS _struct_conn.ptnr2_label_seq_id 290 _struct_conn.ptnr2_label_atom_id SG _struct_conn.pdbx_ptnr2_label_alt_id ? _struct_conn.pdbx_ptnr2_PDB_ins_code ? _struct_conn.ptnr1_auth_asym_id A _struct_conn.ptnr1_auth_comp_id CYS _struct_conn.ptnr1_auth_seq_id 255 _struct_conn.ptnr2_auth_asym_id A _struct_conn.ptnr2_auth_comp_id CYS _struct_conn.ptnr2_auth_seq_id 290 _struct_conn.ptnr2_symmetry 1_555 _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 2.044 _struct_conn.pdbx_value_order ? _struct_conn.pdbx_role ? # _struct_conn_type.id disulf _struct_conn_type.criteria ? _struct_conn_type.reference ? # _pdbx_modification_feature.ordinal 1 _pdbx_modification_feature.label_comp_id CYS _pdbx_modification_feature.label_asym_id A _pdbx_modification_feature.label_seq_id 255 _pdbx_modification_feature.label_alt_id ? _pdbx_modification_feature.modified_residue_label_comp_id CYS _pdbx_modification_feature.modified_residue_label_asym_id A _pdbx_modification_feature.modified_residue_label_seq_id 290 _pdbx_modification_feature.modified_residue_label_alt_id ? _pdbx_modification_feature.auth_comp_id CYS _pdbx_modification_feature.auth_asym_id A _pdbx_modification_feature.auth_seq_id 255 _pdbx_modification_feature.PDB_ins_code ? _pdbx_modification_feature.symmetry 1_555 _pdbx_modification_feature.modified_residue_auth_comp_id CYS _pdbx_modification_feature.modified_residue_auth_asym_id A _pdbx_modification_feature.modified_residue_auth_seq_id 290 _pdbx_modification_feature.modified_residue_PDB_ins_code ? _pdbx_modification_feature.modified_residue_symmetry 1_555 _pdbx_modification_feature.comp_id_linking_atom SG _pdbx_modification_feature.modified_residue_id_linking_atom SG _pdbx_modification_feature.modified_residue_id . _pdbx_modification_feature.ref_pcm_id . _pdbx_modification_feature.ref_comp_id . _pdbx_modification_feature.type None _pdbx_modification_feature.category 'Disulfide bridge' # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 25 A . ? THR 25 A PRO 26 A ? PRO 26 A 1 -8.60 2 SER 137 A . ? SER 137 A PRO 138 A ? PRO 138 A 1 5.69 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 9 ? AA2 ? 13 ? AA3 ? 7 ? AA4 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA1 4 5 ? anti-parallel AA1 5 6 ? anti-parallel AA1 6 7 ? anti-parallel AA1 7 8 ? anti-parallel AA1 8 9 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? parallel AA2 4 5 ? anti-parallel AA2 5 6 ? parallel AA2 6 7 ? anti-parallel AA2 7 8 ? anti-parallel AA2 8 9 ? anti-parallel AA2 9 10 ? anti-parallel AA2 10 11 ? anti-parallel AA2 11 12 ? anti-parallel AA2 12 13 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA3 4 5 ? parallel AA3 5 6 ? anti-parallel AA3 6 7 ? parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? 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 LYS A 68 ? SER A 78 ? LYS A 68 SER A 78 AA1 2 SER A 84 ? VAL A 96 ? SER A 84 VAL A 96 AA1 3 TYR A 17 ? ILE A 23 ? TYR A 17 ILE A 23 AA1 4 GLY A 3 ? PRO A 9 ? GLY A 3 PRO A 9 AA1 5 GLY A 167 ? PHE A 171 ? GLY A 167 PHE A 171 AA1 6 VAL A 156 ? ASP A 160 ? VAL A 156 ASP A 160 AA1 7 PHE A 314 ? ASN A 318 ? PHE A 314 ASN A 318 AA1 8 THR A 324 ? ALA A 328 ? THR A 324 ALA A 328 AA1 9 THR A 184 ? ALA A 187 ? THR A 184 ALA A 187 AA2 1 LYS A 68 ? SER A 78 ? LYS A 68 SER A 78 AA2 2 SER A 84 ? VAL A 96 ? SER A 84 VAL A 96 AA2 3 LEU A 99 ? VAL A 112 ? LEU A 99 VAL A 112 AA2 4 LEU A 41 ? VAL A 43 ? LEU A 41 VAL A 43 AA2 5 GLY A 124 ? GLY A 127 ? GLY A 124 GLY A 127 AA2 6 GLN A 28 ? ASP A 35 ? GLN A 28 ASP A 35 AA2 7 TYR A 17 ? ILE A 23 ? TYR A 17 ILE A 23 AA2 8 GLY A 3 ? PRO A 9 ? GLY A 3 PRO A 9 AA2 9 GLY A 167 ? PHE A 171 ? GLY A 167 PHE A 171 AA2 10 VAL A 156 ? ASP A 160 ? VAL A 156 ASP A 160 AA2 11 PHE A 314 ? ASN A 318 ? PHE A 314 ASN A 318 AA2 12 THR A 324 ? ALA A 328 ? THR A 324 ALA A 328 AA2 13 THR A 184 ? ALA A 187 ? THR A 184 ALA A 187 AA3 1 ALA A 269 ? ILE A 273 ? ALA A 269 ILE A 273 AA3 2 PHE A 262 ? VAL A 266 ? PHE A 262 VAL A 266 AA3 3 GLU A 196 ? VAL A 204 ? GLU A 196 VAL A 204 AA3 4 LYS A 210 ? ALA A 218 ? LYS A 210 ALA A 218 AA3 5 ASN A 303 ? PHE A 305 ? ASN A 303 PHE A 305 AA3 6 LEU A 225 ? LEU A 227 ? LEU A 225 LEU A 227 AA3 7 ILE A 294 ? SER A 296 ? ILE A 294 SER A 296 AA4 1 LYS A 243 ? SER A 245 ? LYS A 243 SER A 245 AA4 2 GLY A 250 ? PRO A 254 ? GLY A 250 PRO A 254 AA4 3 SER A 289 ? GLY A 292 ? SER A 289 GLY A 292 AA4 4 ASP A 279 ? PRO A 282 ? ASP A 279 PRO A 282 # 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 LEU A 70 ? N LEU A 70 O VAL A 89 ? O VAL A 89 AA1 2 3 O SER A 95 ? O SER A 95 N GLN A 22 ? N GLN A 22 AA1 3 4 O ILE A 18 ? O ILE A 18 N THR A 8 ? N THR A 8 AA1 4 5 N GLY A 3 ? N GLY A 3 O PHE A 171 ? O PHE A 171 AA1 5 6 O ASN A 170 ? O ASN A 170 N THR A 158 ? N THR A 158 AA1 6 7 N PHE A 157 ? N PHE A 157 O PHE A 317 ? O PHE A 317 AA1 7 8 N VAL A 316 ? N VAL A 316 O GLY A 326 ? O GLY A 326 AA1 8 9 O PHE A 327 ? O PHE A 327 N THR A 184 ? N THR A 184 AA2 1 2 N LEU A 70 ? N LEU A 70 O VAL A 89 ? O VAL A 89 AA2 2 3 N TYR A 90 ? N TYR A 90 O VAL A 106 ? O VAL A 106 AA2 3 4 O GLU A 107 ? O GLU A 107 N LEU A 41 ? N LEU A 41 AA2 4 5 N TRP A 42 ? N TRP A 42 O LEU A 125 ? O LEU A 125 AA2 5 6 O LEU A 126 ? O LEU A 126 N ASP A 35 ? N ASP A 35 AA2 6 7 O GLN A 28 ? O GLN A 28 N ILE A 23 ? N ILE A 23 AA2 7 8 O ILE A 18 ? O ILE A 18 N THR A 8 ? N THR A 8 AA2 8 9 N GLY A 3 ? N GLY A 3 O PHE A 171 ? O PHE A 171 AA2 9 10 O ASN A 170 ? O ASN A 170 N THR A 158 ? N THR A 158 AA2 10 11 N PHE A 157 ? N PHE A 157 O PHE A 317 ? O PHE A 317 AA2 11 12 N VAL A 316 ? N VAL A 316 O GLY A 326 ? O GLY A 326 AA2 12 13 O PHE A 327 ? O PHE A 327 N THR A 184 ? N THR A 184 AA3 1 2 O ILE A 273 ? O ILE A 273 N PHE A 262 ? N PHE A 262 AA3 2 3 O THR A 263 ? O THR A 263 N ALA A 203 ? N ALA A 203 AA3 3 4 N TYR A 202 ? N TYR A 202 O LYS A 210 ? O LYS A 210 AA3 4 5 N ILE A 217 ? N ILE A 217 O PHE A 305 ? O PHE A 305 AA3 5 6 O ILE A 304 ? O ILE A 304 N TYR A 226 ? N TYR A 226 AA3 6 7 N LEU A 225 ? N LEU A 225 O GLN A 295 ? O GLN A 295 AA4 1 2 N SER A 245 ? N SER A 245 O GLY A 250 ? O GLY A 250 AA4 2 3 N PHE A 253 ? N PHE A 253 O CYS A 290 ? O CYS A 290 AA4 3 4 O PHE A 291 ? O PHE A 291 N GLY A 281 ? N GLY A 281 # 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 401 ? 9 'binding site for residue GOL A 401' AC2 Software A GOL 402 ? 7 'binding site for residue GOL A 402' AC3 Software A GOL 403 ? 5 'binding site for residue GOL A 403' AC4 Software A GOL 404 ? 7 'binding site for residue GOL A 404' AC5 Software A ACT 405 ? 7 'binding site for residue ACT A 405' AC6 Software A ACT 406 ? 4 'binding site for residue ACT A 406' AC7 Software A DMS 407 ? 5 'binding site for residue DMS A 407' AC8 Software A DMS 408 ? 5 'binding site for residue DMS A 408' AC9 Software A DMS 409 ? 5 'binding site for residue DMS A 409' AD1 Software A DMS 410 ? 2 'binding site for residue DMS A 410' AD2 Software A CFF 411 ? 5 'binding site for residue CFF A 411' # 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 9 TYR A 202 ? TYR A 202 . ? 1_555 ? 2 AC1 9 ALA A 203 ? ALA A 203 . ? 1_555 ? 3 AC1 9 VAL A 204 ? VAL A 204 . ? 1_555 ? 4 AC1 9 GLY A 207 ? GLY A 207 . ? 1_555 ? 5 AC1 9 THR A 208 ? THR A 208 . ? 1_555 ? 6 AC1 9 LYS A 210 ? LYS A 210 . ? 1_555 ? 7 AC1 9 HOH M . ? HOH A 1894 . ? 1_555 ? 8 AC1 9 HOH M . ? HOH A 2170 . ? 1_555 ? 9 AC1 9 HOH M . ? HOH A 2355 . ? 1_555 ? 10 AC2 7 SER A 297 ? SER A 297 . ? 1_555 ? 11 AC2 7 ALA A 298 ? ALA A 298 . ? 1_555 ? 12 AC2 7 GLY A 301 ? GLY A 301 . ? 1_555 ? 13 AC2 7 ILE A 302 ? ILE A 302 . ? 1_555 ? 14 AC2 7 HOH M . ? HOH A 867 . ? 1_555 ? 15 AC2 7 HOH M . ? HOH A 1038 . ? 1_555 ? 16 AC2 7 HOH M . ? HOH A 1071 . ? 1_555 ? 17 AC3 5 THR A 6 ? THR A 6 . ? 1_555 ? 18 AC3 5 GLY A 167 ? GLY A 167 . ? 1_555 ? 19 AC3 5 THR A 168 ? THR A 168 . ? 1_555 ? 20 AC3 5 HOH M . ? HOH A 1317 . ? 1_555 ? 21 AC3 5 HOH M . ? HOH A 1450 . ? 1_555 ? 22 AC4 7 VAL A 272 ? VAL A 272 . ? 1_555 ? 23 AC4 7 TYR A 277 ? TYR A 277 . ? 1_555 ? 24 AC4 7 ALA A 312 ? ALA A 312 . ? 1_555 ? 25 AC4 7 SER A 329 ? SER A 329 . ? 1_555 ? 26 AC4 7 LYS A 330 ? LYS A 330 . ? 1_555 ? 27 AC4 7 HOH M . ? HOH A 1340 . ? 1_555 ? 28 AC4 7 HOH M . ? HOH A 1581 . ? 1_555 ? 29 AC5 7 CYS A 255 ? CYS A 255 . ? 1_555 ? 30 AC5 7 ASP A 279 ? ASP A 279 . ? 1_555 ? 31 AC5 7 GLY A 281 ? GLY A 281 . ? 1_555 ? 32 AC5 7 CYS A 290 ? CYS A 290 . ? 1_555 ? 33 AC5 7 HOH M . ? HOH A 1311 . ? 1_555 ? 34 AC5 7 HOH M . ? HOH A 1677 . ? 1_555 ? 35 AC5 7 HOH M . ? HOH A 2095 . ? 1_555 ? 36 AC6 4 ILE A 283 ? ILE A 283 . ? 1_655 ? 37 AC6 4 SER A 284 ? SER A 284 . ? 1_655 ? 38 AC6 4 THR A 285 ? THR A 285 . ? 1_655 ? 39 AC6 4 HOH M . ? HOH A 1391 . ? 1_555 ? 40 AC7 5 ALA A 187 ? ALA A 187 . ? 1_555 ? 41 AC7 5 TRP A 197 ? TRP A 197 . ? 1_555 ? 42 AC7 5 THR A 198 ? THR A 198 . ? 1_555 ? 43 AC7 5 ASP A 215 ? ASP A 215 . ? 1_555 ? 44 AC7 5 HOH M . ? HOH A 899 . ? 1_555 ? 45 AC8 5 GLY A 82 ? GLY A 82 . ? 1_555 ? 46 AC8 5 SER A 83 ? SER A 83 . ? 1_555 ? 47 AC8 5 SER A 113 ? SER A 113 . ? 1_555 ? 48 AC8 5 SER A 114 ? SER A 114 . ? 1_555 ? 49 AC8 5 SER A 115 ? SER A 115 . ? 1_555 ? 50 AC9 5 GLY A 221 ? GLY A 221 . ? 1_555 ? 51 AC9 5 THR A 222 ? THR A 222 . ? 1_555 ? 52 AC9 5 THR A 223 ? THR A 223 . ? 1_555 ? 53 AC9 5 HOH M . ? HOH A 538 . ? 1_555 ? 54 AC9 5 HOH M . ? HOH A 629 . ? 1_555 ? 55 AD1 2 PRO A 26 ? PRO A 26 . ? 1_555 ? 56 AD1 2 ALA A 27 ? ALA A 27 . ? 1_555 ? 57 AD2 5 ASP A 15 ? ASP A 15 . ? 1_555 ? 58 AD2 5 PHE A 280 ? PHE A 280 . ? 1_555 ? 59 AD2 5 PRO A 282 ? PRO A 282 . ? 1_555 ? 60 AD2 5 ILE A 283 ? ILE A 283 . ? 1_555 ? 61 AD2 5 PHE A 291 ? PHE A 291 . ? 1_555 ? # _pdbx_entry_details.entry_id 4Y4D _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details ? _pdbx_entry_details.has_ligand_of_interest ? _pdbx_entry_details.has_protein_modification Y # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 HZ2 A LYS 311 ? B O A HOH 897 ? ? 1.57 2 1 O A HOH 1641 ? ? O A HOH 1684 ? ? 2.10 3 1 O A HOH 1109 ? ? O A HOH 1151 ? ? 2.11 # _pdbx_validate_torsion.id 1 _pdbx_validate_torsion.PDB_model_num 1 _pdbx_validate_torsion.auth_comp_id THR _pdbx_validate_torsion.auth_asym_id A _pdbx_validate_torsion.auth_seq_id 49 _pdbx_validate_torsion.PDB_ins_code ? _pdbx_validate_torsion.label_alt_id ? _pdbx_validate_torsion.phi -39.51 _pdbx_validate_torsion.psi 123.34 # _pdbx_distant_solvent_atoms.id 1 _pdbx_distant_solvent_atoms.PDB_model_num 1 _pdbx_distant_solvent_atoms.auth_atom_id O _pdbx_distant_solvent_atoms.label_alt_id ? _pdbx_distant_solvent_atoms.auth_asym_id A _pdbx_distant_solvent_atoms.auth_comp_id HOH _pdbx_distant_solvent_atoms.auth_seq_id 2643 _pdbx_distant_solvent_atoms.PDB_ins_code ? _pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 6.09 _pdbx_distant_solvent_atoms.neighbor_ligand_distance . # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ACT C C N N 1 ACT O O N N 2 ACT OXT O N N 3 ACT CH3 C N N 4 ACT H1 H N N 5 ACT H2 H N N 6 ACT H3 H N N 7 ALA N N N N 8 ALA CA C N S 9 ALA C C N N 10 ALA O O N N 11 ALA CB C N N 12 ALA OXT O N N 13 ALA H H N N 14 ALA H2 H N N 15 ALA HA H N N 16 ALA HB1 H N N 17 ALA HB2 H N N 18 ALA HB3 H N N 19 ALA HXT H N N 20 ARG N N N N 21 ARG CA C N S 22 ARG C C N N 23 ARG O O N N 24 ARG CB C N N 25 ARG CG C N N 26 ARG CD C N N 27 ARG NE N N N 28 ARG CZ C N N 29 ARG NH1 N N N 30 ARG NH2 N N N 31 ARG OXT O N N 32 ARG H H N N 33 ARG H2 H N N 34 ARG HA H N N 35 ARG HB2 H N N 36 ARG HB3 H N N 37 ARG HG2 H N N 38 ARG HG3 H N N 39 ARG HD2 H N N 40 ARG HD3 H N N 41 ARG HE H N N 42 ARG HH11 H N N 43 ARG HH12 H N N 44 ARG HH21 H N N 45 ARG HH22 H N N 46 ARG HXT H N N 47 ASN N N N N 48 ASN CA C N S 49 ASN C C N N 50 ASN O O N N 51 ASN CB C N N 52 ASN CG C N N 53 ASN OD1 O N N 54 ASN ND2 N N N 55 ASN OXT O N N 56 ASN H H N N 57 ASN H2 H N N 58 ASN HA H N N 59 ASN HB2 H N N 60 ASN HB3 H N N 61 ASN HD21 H N N 62 ASN HD22 H N N 63 ASN HXT H N N 64 ASP N N N N 65 ASP CA C N S 66 ASP C C N N 67 ASP O O N N 68 ASP CB C N N 69 ASP CG C N N 70 ASP OD1 O N N 71 ASP OD2 O N N 72 ASP OXT O N N 73 ASP H H N N 74 ASP H2 H N N 75 ASP HA H N N 76 ASP HB2 H N N 77 ASP HB3 H N N 78 ASP HD2 H N N 79 ASP HXT H N N 80 CFF N1 N Y N 81 CFF C2 C Y N 82 CFF C10 C N N 83 CFF C6 C Y N 84 CFF N3 N Y N 85 CFF O11 O N N 86 CFF C12 C N N 87 CFF C4 C Y N 88 CFF C5 C Y N 89 CFF N9 N Y N 90 CFF O13 O N N 91 CFF N7 N Y N 92 CFF C8 C Y N 93 CFF C14 C N N 94 CFF H101 H N N 95 CFF H102 H N N 96 CFF H103 H N N 97 CFF H121 H N N 98 CFF H122 H N N 99 CFF H123 H N N 100 CFF H81 H N N 101 CFF H141 H N N 102 CFF H142 H N N 103 CFF H143 H N N 104 CYS N N N N 105 CYS CA C N R 106 CYS C C N N 107 CYS O O N N 108 CYS CB C N N 109 CYS SG S N N 110 CYS OXT O N N 111 CYS H H N N 112 CYS H2 H N N 113 CYS HA H N N 114 CYS HB2 H N N 115 CYS HB3 H N N 116 CYS HG H N N 117 CYS HXT H N N 118 DMS S S N N 119 DMS O O N N 120 DMS C1 C N N 121 DMS C2 C N N 122 DMS H11 H N N 123 DMS H12 H N N 124 DMS H13 H N N 125 DMS H21 H N N 126 DMS H22 H N N 127 DMS H23 H N N 128 GLN N N N N 129 GLN CA C N S 130 GLN C C N N 131 GLN O O N N 132 GLN CB C N N 133 GLN CG C N N 134 GLN CD C N N 135 GLN OE1 O N N 136 GLN NE2 N N N 137 GLN OXT O N N 138 GLN H H N N 139 GLN H2 H N N 140 GLN HA H N N 141 GLN HB2 H N N 142 GLN HB3 H N N 143 GLN HG2 H N N 144 GLN HG3 H N N 145 GLN HE21 H N N 146 GLN HE22 H N N 147 GLN HXT H N N 148 GLU N N N N 149 GLU CA C N S 150 GLU C C N N 151 GLU O O N N 152 GLU CB C N N 153 GLU CG C N N 154 GLU CD C N N 155 GLU OE1 O N N 156 GLU OE2 O N N 157 GLU OXT O N N 158 GLU H H N N 159 GLU H2 H N N 160 GLU HA H N N 161 GLU HB2 H N N 162 GLU HB3 H N N 163 GLU HG2 H N N 164 GLU HG3 H N N 165 GLU HE2 H N N 166 GLU HXT H N N 167 GLY N N N N 168 GLY CA C N N 169 GLY C C N N 170 GLY O O N N 171 GLY OXT O N N 172 GLY H H N N 173 GLY H2 H N N 174 GLY HA2 H N N 175 GLY HA3 H N N 176 GLY HXT H N N 177 GOL C1 C N N 178 GOL O1 O N N 179 GOL C2 C N N 180 GOL O2 O N N 181 GOL C3 C N N 182 GOL O3 O N N 183 GOL H11 H N N 184 GOL H12 H N N 185 GOL HO1 H N N 186 GOL H2 H N N 187 GOL HO2 H N N 188 GOL H31 H N N 189 GOL H32 H N N 190 GOL HO3 H N N 191 HIS N N N N 192 HIS CA C N S 193 HIS C C N N 194 HIS O O N N 195 HIS CB C N N 196 HIS CG C Y N 197 HIS ND1 N Y N 198 HIS CD2 C Y N 199 HIS CE1 C Y N 200 HIS NE2 N Y N 201 HIS OXT O N N 202 HIS H H N N 203 HIS H2 H N N 204 HIS HA H N N 205 HIS HB2 H N N 206 HIS HB3 H N N 207 HIS HD1 H N N 208 HIS HD2 H N N 209 HIS HE1 H N N 210 HIS HE2 H N N 211 HIS HXT H N N 212 HOH O O N N 213 HOH H1 H N N 214 HOH H2 H N N 215 ILE N N N N 216 ILE CA C N S 217 ILE C C N N 218 ILE O O N N 219 ILE CB C N S 220 ILE CG1 C N N 221 ILE CG2 C N N 222 ILE CD1 C N N 223 ILE OXT O N N 224 ILE H H N N 225 ILE H2 H N N 226 ILE HA H N N 227 ILE HB H N N 228 ILE HG12 H N N 229 ILE HG13 H N N 230 ILE HG21 H N N 231 ILE HG22 H N N 232 ILE HG23 H N N 233 ILE HD11 H N N 234 ILE HD12 H N N 235 ILE HD13 H N N 236 ILE HXT H N N 237 LEU N N N N 238 LEU CA C N S 239 LEU C C N N 240 LEU O O N N 241 LEU CB C N N 242 LEU CG C N N 243 LEU CD1 C N N 244 LEU CD2 C N N 245 LEU OXT O N N 246 LEU H H N N 247 LEU H2 H N N 248 LEU HA H N N 249 LEU HB2 H N N 250 LEU HB3 H N N 251 LEU HG H N N 252 LEU HD11 H N N 253 LEU HD12 H N N 254 LEU HD13 H N N 255 LEU HD21 H N N 256 LEU HD22 H N N 257 LEU HD23 H N N 258 LEU HXT H N N 259 LYS N N N N 260 LYS CA C N S 261 LYS C C N N 262 LYS O O N N 263 LYS CB C N N 264 LYS CG C N N 265 LYS CD C N N 266 LYS CE C N N 267 LYS NZ N N N 268 LYS OXT O N N 269 LYS H H N N 270 LYS H2 H N N 271 LYS HA H N N 272 LYS HB2 H N N 273 LYS HB3 H N N 274 LYS HG2 H N N 275 LYS HG3 H N N 276 LYS HD2 H N N 277 LYS HD3 H N N 278 LYS HE2 H N N 279 LYS HE3 H N N 280 LYS HZ1 H N N 281 LYS HZ2 H N N 282 LYS HZ3 H N N 283 LYS HXT H N N 284 PHE N N N N 285 PHE CA C N S 286 PHE C C N N 287 PHE O O N N 288 PHE CB C N N 289 PHE CG C Y N 290 PHE CD1 C Y N 291 PHE CD2 C Y N 292 PHE CE1 C Y N 293 PHE CE2 C Y N 294 PHE CZ C Y N 295 PHE OXT O N N 296 PHE H H N N 297 PHE H2 H N N 298 PHE HA H N N 299 PHE HB2 H N N 300 PHE HB3 H N N 301 PHE HD1 H N N 302 PHE HD2 H N N 303 PHE HE1 H N N 304 PHE HE2 H N N 305 PHE HZ H N N 306 PHE HXT H N N 307 PRO N N N N 308 PRO CA C N S 309 PRO C C N N 310 PRO O O N N 311 PRO CB C N N 312 PRO CG C N N 313 PRO CD C N N 314 PRO OXT O N N 315 PRO H H N N 316 PRO HA H N N 317 PRO HB2 H N N 318 PRO HB3 H N N 319 PRO HG2 H N N 320 PRO HG3 H N N 321 PRO HD2 H N N 322 PRO HD3 H N N 323 PRO HXT H N N 324 SER N N N N 325 SER CA C N S 326 SER C C N N 327 SER O O N N 328 SER CB C N N 329 SER OG O N N 330 SER OXT O N N 331 SER H H N N 332 SER H2 H N N 333 SER HA H N N 334 SER HB2 H N N 335 SER HB3 H N N 336 SER HG H N N 337 SER HXT H N N 338 THR N N N N 339 THR CA C N S 340 THR C C N N 341 THR O O N N 342 THR CB C N R 343 THR OG1 O N N 344 THR CG2 C N N 345 THR OXT O N N 346 THR H H N N 347 THR H2 H N N 348 THR HA H N N 349 THR HB H N N 350 THR HG1 H N N 351 THR HG21 H N N 352 THR HG22 H N N 353 THR HG23 H N N 354 THR HXT H N N 355 TRP N N N N 356 TRP CA C N S 357 TRP C C N N 358 TRP O O N N 359 TRP CB C N N 360 TRP CG C Y N 361 TRP CD1 C Y N 362 TRP CD2 C Y N 363 TRP NE1 N Y N 364 TRP CE2 C Y N 365 TRP CE3 C Y N 366 TRP CZ2 C Y N 367 TRP CZ3 C Y N 368 TRP CH2 C Y N 369 TRP OXT O N N 370 TRP H H N N 371 TRP H2 H N N 372 TRP HA H N N 373 TRP HB2 H N N 374 TRP HB3 H N N 375 TRP HD1 H N N 376 TRP HE1 H N N 377 TRP HE3 H N N 378 TRP HZ2 H N N 379 TRP HZ3 H N N 380 TRP HH2 H N N 381 TRP HXT H N N 382 TYR N N N N 383 TYR CA C N S 384 TYR C C N N 385 TYR O O N N 386 TYR CB C N N 387 TYR CG C Y N 388 TYR CD1 C Y N 389 TYR CD2 C Y N 390 TYR CE1 C Y N 391 TYR CE2 C Y N 392 TYR CZ C Y N 393 TYR OH O N N 394 TYR OXT O N N 395 TYR H H N N 396 TYR H2 H N N 397 TYR HA H N N 398 TYR HB2 H N N 399 TYR HB3 H N N 400 TYR HD1 H N N 401 TYR HD2 H N N 402 TYR HE1 H N N 403 TYR HE2 H N N 404 TYR HH H N N 405 TYR HXT H N N 406 VAL N N N N 407 VAL CA C N S 408 VAL C C N N 409 VAL O O N N 410 VAL CB C N N 411 VAL CG1 C N N 412 VAL CG2 C N N 413 VAL OXT O N N 414 VAL H H N N 415 VAL H2 H N N 416 VAL HA H N N 417 VAL HB H N N 418 VAL HG11 H N N 419 VAL HG12 H N N 420 VAL HG13 H N N 421 VAL HG21 H N N 422 VAL HG22 H N N 423 VAL HG23 H N N 424 VAL HXT H N N 425 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ACT C O doub N N 1 ACT C OXT sing N N 2 ACT C CH3 sing N N 3 ACT CH3 H1 sing N N 4 ACT CH3 H2 sing N N 5 ACT CH3 H3 sing N N 6 ALA N CA sing N N 7 ALA N H sing N N 8 ALA N H2 sing N N 9 ALA CA C sing N N 10 ALA CA CB sing N N 11 ALA CA HA sing N N 12 ALA C O doub N N 13 ALA C OXT sing N N 14 ALA CB HB1 sing N N 15 ALA CB HB2 sing N N 16 ALA CB HB3 sing N N 17 ALA OXT HXT sing N N 18 ARG N CA sing N N 19 ARG N H sing N N 20 ARG N H2 sing N N 21 ARG CA C sing N N 22 ARG CA CB sing N N 23 ARG CA HA sing N N 24 ARG C O doub N N 25 ARG C OXT sing N N 26 ARG CB CG sing N N 27 ARG CB HB2 sing N N 28 ARG CB HB3 sing N N 29 ARG CG CD sing N N 30 ARG CG HG2 sing N N 31 ARG CG HG3 sing N N 32 ARG CD NE sing N N 33 ARG CD HD2 sing N N 34 ARG CD HD3 sing N N 35 ARG NE CZ sing N N 36 ARG NE HE sing N N 37 ARG CZ NH1 sing N N 38 ARG CZ NH2 doub N N 39 ARG NH1 HH11 sing N N 40 ARG NH1 HH12 sing N N 41 ARG NH2 HH21 sing N N 42 ARG NH2 HH22 sing N N 43 ARG OXT HXT sing N N 44 ASN N CA sing N N 45 ASN N H sing N N 46 ASN N H2 sing N N 47 ASN CA C sing N N 48 ASN CA CB sing N N 49 ASN CA HA sing N N 50 ASN C O doub N N 51 ASN C OXT sing N N 52 ASN CB CG sing N N 53 ASN CB HB2 sing N N 54 ASN CB HB3 sing N N 55 ASN CG OD1 doub N N 56 ASN CG ND2 sing N N 57 ASN ND2 HD21 sing N N 58 ASN ND2 HD22 sing N N 59 ASN OXT HXT sing N N 60 ASP N CA sing N N 61 ASP N H sing N N 62 ASP N H2 sing N N 63 ASP CA C sing N N 64 ASP CA CB sing N N 65 ASP CA HA sing N N 66 ASP C O doub N N 67 ASP C OXT sing N N 68 ASP CB CG sing N N 69 ASP CB HB2 sing N N 70 ASP CB HB3 sing N N 71 ASP CG OD1 doub N N 72 ASP CG OD2 sing N N 73 ASP OD2 HD2 sing N N 74 ASP OXT HXT sing N N 75 CFF N1 C2 sing Y N 76 CFF N1 C10 sing N N 77 CFF N1 C6 sing Y N 78 CFF C2 N3 sing Y N 79 CFF C2 O11 doub N N 80 CFF C10 H101 sing N N 81 CFF C10 H102 sing N N 82 CFF C10 H103 sing N N 83 CFF C6 C5 sing Y N 84 CFF C6 O13 doub N N 85 CFF N3 C12 sing N N 86 CFF N3 C4 sing Y N 87 CFF C12 H121 sing N N 88 CFF C12 H122 sing N N 89 CFF C12 H123 sing N N 90 CFF C4 C5 doub Y N 91 CFF C4 N9 sing Y N 92 CFF C5 N7 sing Y N 93 CFF N9 C8 doub Y N 94 CFF N7 C8 sing Y N 95 CFF N7 C14 sing N N 96 CFF C8 H81 sing N N 97 CFF C14 H141 sing N N 98 CFF C14 H142 sing N N 99 CFF C14 H143 sing N N 100 CYS N CA sing N N 101 CYS N H sing N N 102 CYS N H2 sing N N 103 CYS CA C sing N N 104 CYS CA CB sing N N 105 CYS CA HA sing N N 106 CYS C O doub N N 107 CYS C OXT sing N N 108 CYS CB SG sing N N 109 CYS CB HB2 sing N N 110 CYS CB HB3 sing N N 111 CYS SG HG sing N N 112 CYS OXT HXT sing N N 113 DMS S O doub N N 114 DMS S C1 sing N N 115 DMS S C2 sing N N 116 DMS C1 H11 sing N N 117 DMS C1 H12 sing N N 118 DMS C1 H13 sing N N 119 DMS C2 H21 sing N N 120 DMS C2 H22 sing N N 121 DMS C2 H23 sing N N 122 GLN N CA sing N N 123 GLN N H sing N N 124 GLN N H2 sing N N 125 GLN CA C sing N N 126 GLN CA CB sing N N 127 GLN CA HA sing N N 128 GLN C O doub N N 129 GLN C OXT sing N N 130 GLN CB CG sing N N 131 GLN CB HB2 sing N N 132 GLN CB HB3 sing N N 133 GLN CG CD sing N N 134 GLN CG HG2 sing N N 135 GLN CG HG3 sing N N 136 GLN CD OE1 doub N N 137 GLN CD NE2 sing N N 138 GLN NE2 HE21 sing N N 139 GLN NE2 HE22 sing N N 140 GLN OXT HXT sing N N 141 GLU N CA sing N N 142 GLU N H sing N N 143 GLU N H2 sing N N 144 GLU CA C sing N N 145 GLU CA CB sing N N 146 GLU CA HA sing N N 147 GLU C O doub N N 148 GLU C OXT sing N N 149 GLU CB CG sing N N 150 GLU CB HB2 sing N N 151 GLU CB HB3 sing N N 152 GLU CG CD sing N N 153 GLU CG HG2 sing N N 154 GLU CG HG3 sing N N 155 GLU CD OE1 doub N N 156 GLU CD OE2 sing N N 157 GLU OE2 HE2 sing N N 158 GLU OXT HXT sing N N 159 GLY N CA sing N N 160 GLY N H sing N N 161 GLY N H2 sing N N 162 GLY CA C sing N N 163 GLY CA HA2 sing N N 164 GLY CA HA3 sing N N 165 GLY C O doub N N 166 GLY C OXT sing N N 167 GLY OXT HXT sing N N 168 GOL C1 O1 sing N N 169 GOL C1 C2 sing N N 170 GOL C1 H11 sing N N 171 GOL C1 H12 sing N N 172 GOL O1 HO1 sing N N 173 GOL C2 O2 sing N N 174 GOL C2 C3 sing N N 175 GOL C2 H2 sing N N 176 GOL O2 HO2 sing N N 177 GOL C3 O3 sing N N 178 GOL C3 H31 sing N N 179 GOL C3 H32 sing N N 180 GOL O3 HO3 sing N N 181 HIS N CA sing N N 182 HIS N H sing N N 183 HIS N H2 sing N N 184 HIS CA C sing N N 185 HIS CA CB sing N N 186 HIS CA HA sing N N 187 HIS C O doub N N 188 HIS C OXT sing N N 189 HIS CB CG sing N N 190 HIS CB HB2 sing N N 191 HIS CB HB3 sing N N 192 HIS CG ND1 sing Y N 193 HIS CG CD2 doub Y N 194 HIS ND1 CE1 doub Y N 195 HIS ND1 HD1 sing N N 196 HIS CD2 NE2 sing Y N 197 HIS CD2 HD2 sing N N 198 HIS CE1 NE2 sing Y N 199 HIS CE1 HE1 sing N N 200 HIS NE2 HE2 sing N N 201 HIS OXT HXT sing N N 202 HOH O H1 sing N N 203 HOH O H2 sing N N 204 ILE N CA sing N N 205 ILE N H sing N N 206 ILE N H2 sing N N 207 ILE CA C sing N N 208 ILE CA CB sing N N 209 ILE CA HA sing N N 210 ILE C O doub N N 211 ILE C OXT sing N N 212 ILE CB CG1 sing N N 213 ILE CB CG2 sing N N 214 ILE CB HB sing N N 215 ILE CG1 CD1 sing N N 216 ILE CG1 HG12 sing N N 217 ILE CG1 HG13 sing N N 218 ILE CG2 HG21 sing N N 219 ILE CG2 HG22 sing N N 220 ILE CG2 HG23 sing N N 221 ILE CD1 HD11 sing N N 222 ILE CD1 HD12 sing N N 223 ILE CD1 HD13 sing N N 224 ILE OXT HXT sing N N 225 LEU N CA sing N N 226 LEU N H sing N N 227 LEU N H2 sing N N 228 LEU CA C sing N N 229 LEU CA CB sing N N 230 LEU CA HA sing N N 231 LEU C O doub N N 232 LEU C OXT sing N N 233 LEU CB CG sing N N 234 LEU CB HB2 sing N N 235 LEU CB HB3 sing N N 236 LEU CG CD1 sing N N 237 LEU CG CD2 sing N N 238 LEU CG HG sing N N 239 LEU CD1 HD11 sing N N 240 LEU CD1 HD12 sing N N 241 LEU CD1 HD13 sing N N 242 LEU CD2 HD21 sing N N 243 LEU CD2 HD22 sing N N 244 LEU CD2 HD23 sing N N 245 LEU OXT HXT sing N N 246 LYS N CA sing N N 247 LYS N H sing N N 248 LYS N H2 sing N N 249 LYS CA C sing N N 250 LYS CA CB sing N N 251 LYS CA HA sing N N 252 LYS C O doub N N 253 LYS C OXT sing N N 254 LYS CB CG sing N N 255 LYS CB HB2 sing N N 256 LYS CB HB3 sing N N 257 LYS CG CD sing N N 258 LYS CG HG2 sing N N 259 LYS CG HG3 sing N N 260 LYS CD CE sing N N 261 LYS CD HD2 sing N N 262 LYS CD HD3 sing N N 263 LYS CE NZ sing N N 264 LYS CE HE2 sing N N 265 LYS CE HE3 sing N N 266 LYS NZ HZ1 sing N N 267 LYS NZ HZ2 sing N N 268 LYS NZ HZ3 sing N N 269 LYS OXT HXT sing N N 270 PHE N CA sing N N 271 PHE N H sing N N 272 PHE N H2 sing N N 273 PHE CA C sing N N 274 PHE CA CB sing N N 275 PHE CA HA sing N N 276 PHE C O doub N N 277 PHE C OXT sing N N 278 PHE CB CG sing N N 279 PHE CB HB2 sing N N 280 PHE CB HB3 sing N N 281 PHE CG CD1 doub Y N 282 PHE CG CD2 sing Y N 283 PHE CD1 CE1 sing Y N 284 PHE CD1 HD1 sing N N 285 PHE CD2 CE2 doub Y N 286 PHE CD2 HD2 sing N N 287 PHE CE1 CZ doub Y N 288 PHE CE1 HE1 sing N N 289 PHE CE2 CZ sing Y N 290 PHE CE2 HE2 sing N N 291 PHE CZ HZ sing N N 292 PHE OXT HXT sing N N 293 PRO N CA sing N N 294 PRO N CD sing N N 295 PRO N H sing N N 296 PRO CA C sing N N 297 PRO CA CB sing N N 298 PRO CA HA sing N N 299 PRO C O doub N N 300 PRO C OXT sing N N 301 PRO CB CG sing N N 302 PRO CB HB2 sing N N 303 PRO CB HB3 sing N N 304 PRO CG CD sing N N 305 PRO CG HG2 sing N N 306 PRO CG HG3 sing N N 307 PRO CD HD2 sing N N 308 PRO CD HD3 sing N N 309 PRO OXT HXT sing N N 310 SER N CA sing N N 311 SER N H sing N N 312 SER N H2 sing N N 313 SER CA C sing N N 314 SER CA CB sing N N 315 SER CA HA sing N N 316 SER C O doub N N 317 SER C OXT sing N N 318 SER CB OG sing N N 319 SER CB HB2 sing N N 320 SER CB HB3 sing N N 321 SER OG HG sing N N 322 SER OXT HXT sing N N 323 THR N CA sing N N 324 THR N H sing N N 325 THR N H2 sing N N 326 THR CA C sing N N 327 THR CA CB sing N N 328 THR CA HA sing N N 329 THR C O doub N N 330 THR C OXT sing N N 331 THR CB OG1 sing N N 332 THR CB CG2 sing N N 333 THR CB HB sing N N 334 THR OG1 HG1 sing N N 335 THR CG2 HG21 sing N N 336 THR CG2 HG22 sing N N 337 THR CG2 HG23 sing N N 338 THR OXT HXT sing N N 339 TRP N CA sing N N 340 TRP N H sing N N 341 TRP N H2 sing N N 342 TRP CA C sing N N 343 TRP CA CB sing N N 344 TRP CA HA sing N N 345 TRP C O doub N N 346 TRP C OXT sing N N 347 TRP CB CG sing N N 348 TRP CB HB2 sing N N 349 TRP CB HB3 sing N N 350 TRP CG CD1 doub Y N 351 TRP CG CD2 sing Y N 352 TRP CD1 NE1 sing Y N 353 TRP CD1 HD1 sing N N 354 TRP CD2 CE2 doub Y N 355 TRP CD2 CE3 sing Y N 356 TRP NE1 CE2 sing Y N 357 TRP NE1 HE1 sing N N 358 TRP CE2 CZ2 sing Y N 359 TRP CE3 CZ3 doub Y N 360 TRP CE3 HE3 sing N N 361 TRP CZ2 CH2 doub Y N 362 TRP CZ2 HZ2 sing N N 363 TRP CZ3 CH2 sing Y N 364 TRP CZ3 HZ3 sing N N 365 TRP CH2 HH2 sing N N 366 TRP OXT HXT sing N N 367 TYR N CA sing N N 368 TYR N H sing N N 369 TYR N H2 sing N N 370 TYR CA C sing N N 371 TYR CA CB sing N N 372 TYR CA HA sing N N 373 TYR C O doub N N 374 TYR C OXT sing N N 375 TYR CB CG sing N N 376 TYR CB HB2 sing N N 377 TYR CB HB3 sing N N 378 TYR CG CD1 doub Y N 379 TYR CG CD2 sing Y N 380 TYR CD1 CE1 sing Y N 381 TYR CD1 HD1 sing N N 382 TYR CD2 CE2 doub Y N 383 TYR CD2 HD2 sing N N 384 TYR CE1 CZ doub Y N 385 TYR CE1 HE1 sing N N 386 TYR CE2 CZ sing Y N 387 TYR CE2 HE2 sing N N 388 TYR CZ OH sing N N 389 TYR OH HH sing N N 390 TYR OXT HXT sing N N 391 VAL N CA sing N N 392 VAL N H sing N N 393 VAL N H2 sing N N 394 VAL CA C sing N N 395 VAL CA CB sing N N 396 VAL CA HA sing N N 397 VAL C O doub N N 398 VAL C OXT sing N N 399 VAL CB CG1 sing N N 400 VAL CB CG2 sing N N 401 VAL CB HB sing N N 402 VAL CG1 HG11 sing N N 403 VAL CG1 HG12 sing N N 404 VAL CG1 HG13 sing N N 405 VAL CG2 HG21 sing N N 406 VAL CG2 HG22 sing N N 407 VAL CG2 HG23 sing N N 408 VAL OXT HXT sing N N 409 # _pdbx_audit_support.funding_organization BMBF _pdbx_audit_support.country Germany _pdbx_audit_support.grant_number 05K13RM1 _pdbx_audit_support.ordinal 1 # _atom_sites.entry_id 4Y4D _atom_sites.fract_transf_matrix[1][1] 0.022075 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.007662 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.013711 _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] 0.020159 _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 H N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . SER A 1 1 ? 24.004 -11.716 11.304 1.00 12.38 ? 1 SER A N 1 ATOM 2 C CA A SER A 1 1 ? 22.685 -12.408 11.219 0.68 12.24 ? 1 SER A CA 1 ATOM 3 C CA B SER A 1 1 ? 22.718 -12.449 11.167 0.32 11.90 ? 1 SER A CA 1 ATOM 4 C C . SER A 1 1 ? 21.824 -11.772 10.140 1.00 10.86 ? 1 SER A C 1 ATOM 5 O O . SER A 1 1 ? 22.102 -10.660 9.682 1.00 10.96 ? 1 SER A O 1 ATOM 6 C CB A SER A 1 1 ? 21.955 -12.320 12.556 0.68 14.48 ? 1 SER A CB 1 ATOM 7 C CB B SER A 1 1 ? 21.998 -12.522 12.511 0.32 12.81 ? 1 SER A CB 1 ATOM 8 O OG A SER A 1 1 ? 21.638 -10.976 12.873 0.68 14.73 ? 1 SER A OG 1 ATOM 9 O OG B SER A 1 1 ? 22.829 -13.110 13.496 0.32 12.56 ? 1 SER A OG 1 ATOM 10 H H1 A SER A 1 1 ? 24.440 -11.996 12.028 0.68 14.85 ? 1 SER A H1 1 ATOM 11 H H1 B SER A 1 1 ? 24.666 -12.298 11.426 0.32 14.85 ? 1 SER A H1 1 ATOM 12 H H2 A SER A 1 1 ? 24.484 -11.901 10.578 0.68 14.85 ? 1 SER A H2 1 ATOM 13 H H2 B SER A 1 1 ? 24.156 -11.243 10.565 0.32 14.85 ? 1 SER A H2 1 ATOM 14 H H3 A SER A 1 1 ? 23.875 -10.837 11.357 0.68 14.85 ? 1 SER A H3 1 ATOM 15 H H3 B SER A 1 1 ? 23.959 -11.167 12.003 0.32 14.85 ? 1 SER A H3 1 ATOM 16 H HA A SER A 1 1 ? 22.820 -13.343 10.998 0.68 14.69 ? 1 SER A HA 1 ATOM 17 H HA B SER A 1 1 ? 22.896 -13.354 10.866 0.32 14.28 ? 1 SER A HA 1 ATOM 18 H HB2 A SER A 1 1 ? 21.133 -12.833 12.502 0.68 17.37 ? 1 SER A HB2 1 ATOM 19 H HB2 B SER A 1 1 ? 21.762 -11.624 12.792 0.32 15.37 ? 1 SER A HB2 1 ATOM 20 H HB3 A SER A 1 1 ? 22.526 -12.682 13.252 0.68 17.37 ? 1 SER A HB3 1 ATOM 21 H HB3 B SER A 1 1 ? 21.197 -13.060 12.412 0.32 15.37 ? 1 SER A HB3 1 ATOM 22 H HG A SER A 1 1 ? 22.341 -10.520 12.923 0.68 17.68 ? 1 SER A HG 1 ATOM 23 H HG B SER A 1 1 ? 22.423 -13.145 14.231 0.32 15.08 ? 1 SER A HG 1 ATOM 24 N N . THR A 1 2 ? 20.781 -12.485 9.752 1.00 9.75 ? 2 THR A N 1 ATOM 25 C CA . THR A 1 2 ? 19.780 -11.982 8.827 1.00 10.05 ? 2 THR A CA 1 ATOM 26 C C . THR A 1 2 ? 18.422 -12.543 9.222 1.00 10.04 ? 2 THR A C 1 ATOM 27 O O . THR A 1 2 ? 18.326 -13.474 10.023 1.00 11.01 ? 2 THR A O 1 ATOM 28 C CB . THR A 1 2 ? 20.055 -12.406 7.362 1.00 10.03 ? 2 THR A CB 1 ATOM 29 O OG1 . THR A 1 2 ? 20.001 -13.829 7.237 1.00 12.03 ? 2 THR A OG1 1 ATOM 30 C CG2 . THR A 1 2 ? 21.407 -11.923 6.899 1.00 10.79 ? 2 THR A CG2 1 ATOM 31 H H . THR A 1 2 ? 20.626 -13.287 10.020 1.00 11.69 ? 2 THR A H 1 ATOM 32 H HA . THR A 1 2 ? 19.745 -11.014 8.872 1.00 12.06 ? 2 THR A HA 1 ATOM 33 H HB . THR A 1 2 ? 19.381 -12.012 6.786 1.00 12.04 ? 2 THR A HB 1 ATOM 34 H HG1 . THR A 1 2 ? 20.578 -14.183 7.734 1.00 14.44 ? 2 THR A HG1 1 ATOM 35 H HG21 . THR A 1 2 ? 21.561 -12.198 5.981 1.00 12.95 ? 2 THR A HG21 1 ATOM 36 H HG22 . THR A 1 2 ? 21.448 -10.955 6.949 1.00 12.95 ? 2 THR A HG22 1 ATOM 37 H HG23 . THR A 1 2 ? 22.103 -12.298 7.461 1.00 12.95 ? 2 THR A HG23 1 ATOM 38 N N . GLY A 1 3 ? 17.373 -11.956 8.657 1.00 9.27 ? 3 GLY A N 1 ATOM 39 C CA . GLY A 1 3 ? 16.033 -12.499 8.746 1.00 8.81 ? 3 GLY A CA 1 ATOM 40 C C . GLY A 1 3 ? 15.325 -12.299 7.418 1.00 8.31 ? 3 GLY A C 1 ATOM 41 O O . GLY A 1 3 ? 15.658 -11.387 6.652 1.00 9.13 ? 3 GLY A O 1 ATOM 42 H H . GLY A 1 3 ? 17.418 -11.225 8.207 1.00 11.12 ? 3 GLY A H 1 ATOM 43 H HA2 . GLY A 1 3 ? 16.069 -13.447 8.948 1.00 10.57 ? 3 GLY A HA2 1 ATOM 44 H HA3 . GLY A 1 3 ? 15.534 -12.044 9.443 1.00 10.57 ? 3 GLY A HA3 1 ATOM 45 N N . SER A 1 4 ? 14.326 -13.129 7.161 1.00 8.34 ? 4 SER A N 1 ATOM 46 C CA . SER A 1 4 ? 13.533 -13.038 5.939 1.00 8.61 ? 4 SER A CA 1 ATOM 47 C C . SER A 1 4 ? 12.136 -13.554 6.228 1.00 7.96 ? 4 SER A C 1 ATOM 48 O O . SER A 1 4 ? 11.975 -14.690 6.657 1.00 9.40 ? 4 SER A O 1 ATOM 49 C CB . SER A 1 4 ? 14.171 -13.856 4.824 1.00 9.58 ? 4 SER A CB 1 ATOM 50 O OG . SER A 1 4 ? 13.450 -13.728 3.606 1.00 10.64 ? 4 SER A OG 1 ATOM 51 H H . SER A 1 4 ? 14.081 -13.765 7.686 1.00 10.00 ? 4 SER A H 1 ATOM 52 H HA . SER A 1 4 ? 13.473 -12.112 5.654 1.00 10.34 ? 4 SER A HA 1 ATOM 53 H HB2 . SER A 1 4 ? 15.079 -13.544 4.686 1.00 11.50 ? 4 SER A HB2 1 ATOM 54 H HB3 . SER A 1 4 ? 14.180 -14.790 5.086 1.00 11.50 ? 4 SER A HB3 1 ATOM 55 H HG . SER A 1 4 ? 12.661 -13.997 3.709 1.00 12.76 ? 4 SER A HG 1 ATOM 56 N N . ALA A 1 5 ? 11.128 -12.713 6.014 1.00 8.04 ? 5 ALA A N 1 ATOM 57 C CA . ALA A 1 5 ? 9.745 -13.083 6.300 1.00 8.90 ? 5 ALA A CA 1 ATOM 58 C C . ALA A 1 5 ? 8.843 -12.662 5.158 1.00 7.90 ? 5 ALA A C 1 ATOM 59 O O . ALA A 1 5 ? 9.002 -11.592 4.563 1.00 9.07 ? 5 ALA A O 1 ATOM 60 C CB . ALA A 1 5 ? 9.294 -12.458 7.600 1.00 9.92 ? 5 ALA A CB 1 ATOM 61 H H . ALA A 1 5 ? 11.219 -11.917 5.701 1.00 9.64 ? 5 ALA A H 1 ATOM 62 H HA . ALA A 1 5 ? 9.686 -14.047 6.392 1.00 10.68 ? 5 ALA A HA 1 ATOM 63 H HB1 . ALA A 1 5 ? 9.359 -11.493 7.525 1.00 11.90 ? 5 ALA A HB1 1 ATOM 64 H HB2 . ALA A 1 5 ? 8.375 -12.716 7.771 1.00 11.90 ? 5 ALA A HB2 1 ATOM 65 H HB3 . ALA A 1 5 ? 9.866 -12.774 8.317 1.00 11.90 ? 5 ALA A HB3 1 ATOM 66 N N . THR A 1 6 ? 7.874 -13.510 4.858 1.00 8.19 ? 6 THR A N 1 ATOM 67 C CA . THR A 1 6 ? 6.868 -13.181 3.868 1.00 8.07 ? 6 THR A CA 1 ATOM 68 C C . THR A 1 6 ? 5.811 -12.275 4.471 1.00 7.85 ? 6 THR A C 1 ATOM 69 O O . THR A 1 6 ? 5.373 -12.486 5.614 1.00 9.53 ? 6 THR A O 1 ATOM 70 C CB . THR A 1 6 ? 6.207 -14.459 3.368 1.00 8.07 ? 6 THR A CB 1 ATOM 71 O OG1 . THR A 1 6 ? 7.203 -15.255 2.734 1.00 10.17 ? 6 THR A OG1 1 ATOM 72 C CG2 . THR A 1 6 ? 5.066 -14.199 2.386 1.00 8.64 ? 6 THR A CG2 1 ATOM 73 H H . THR A 1 6 ? 7.777 -14.286 5.216 1.00 9.83 ? 6 THR A H 1 ATOM 74 H HA . THR A 1 6 ? 7.281 -12.726 3.117 1.00 9.68 ? 6 THR A HA 1 ATOM 75 H HB . THR A 1 6 ? 5.847 -14.946 4.125 1.00 9.68 ? 6 THR A HB 1 ATOM 76 H HG1 . THR A 1 6 ? 7.811 -15.444 3.282 1.00 12.20 ? 6 THR A HG1 1 ATOM 77 H HG21 . THR A 1 6 ? 4.378 -13.664 2.812 1.00 10.36 ? 6 THR A HG21 1 ATOM 78 H HG22 . THR A 1 6 ? 5.400 -13.722 1.610 1.00 10.36 ? 6 THR A HG22 1 ATOM 79 H HG23 . THR A 1 6 ? 4.679 -15.040 2.098 1.00 10.36 ? 6 THR A HG23 1 ATOM 80 N N . THR A 1 7 ? 5.396 -11.280 3.689 1.00 7.30 ? 7 THR A N 1 ATOM 81 C CA . THR A 1 7 ? 4.337 -10.366 4.078 1.00 7.80 ? 7 THR A CA 1 ATOM 82 C C . THR A 1 7 ? 3.170 -10.549 3.116 1.00 8.10 ? 7 THR A C 1 ATOM 83 O O . THR A 1 7 ? 3.378 -10.734 1.920 1.00 9.09 ? 7 THR A O 1 ATOM 84 C CB . THR A 1 7 ? 4.849 -8.902 4.132 1.00 8.94 ? 7 THR A CB 1 ATOM 85 O OG1 . THR A 1 7 ? 3.893 -8.086 4.795 1.00 9.40 ? 7 THR A OG1 1 ATOM 86 C CG2 . THR A 1 7 ? 5.158 -8.315 2.748 1.00 9.67 ? 7 THR A CG2 1 ATOM 87 H H . THR A 1 7 ? 5.724 -11.114 2.911 1.00 8.76 ? 7 THR A H 1 ATOM 88 H HA . THR A 1 7 ? 4.028 -10.605 4.966 1.00 9.37 ? 7 THR A HA 1 ATOM 89 H HB . THR A 1 7 ? 5.673 -8.886 4.644 1.00 10.72 ? 7 THR A HB 1 ATOM 90 H HG1 . THR A 1 7 ? 3.772 -8.364 5.578 1.00 11.28 ? 7 THR A HG1 1 ATOM 91 H HG21 . THR A 1 7 ? 4.357 -8.319 2.200 1.00 11.61 ? 7 THR A HG21 1 ATOM 92 H HG22 . THR A 1 7 ? 5.473 -7.402 2.838 1.00 11.61 ? 7 THR A HG22 1 ATOM 93 H HG23 . THR A 1 7 ? 5.843 -8.843 2.309 1.00 11.61 ? 7 THR A HG23 1 ATOM 94 N N . THR A 1 8 ? 1.940 -10.550 3.639 1.00 8.15 ? 8 THR A N 1 ATOM 95 C CA . THR A 1 8 ? 0.765 -11.001 2.891 1.00 8.99 ? 8 THR A CA 1 ATOM 96 C C . THR A 1 8 ? -0.334 -9.936 2.962 1.00 8.34 ? 8 THR A C 1 ATOM 97 O O . THR A 1 8 ? -0.644 -9.453 4.041 1.00 8.97 ? 8 THR A O 1 ATOM 98 C CB . THR A 1 8 ? 0.239 -12.316 3.503 1.00 9.63 ? 8 THR A CB 1 ATOM 99 O OG1 . THR A 1 8 ? 1.273 -13.301 3.451 1.00 9.97 ? 8 THR A OG1 1 ATOM 100 C CG2 . THR A 1 8 ? -0.987 -12.852 2.754 1.00 10.14 ? 8 THR A CG2 1 ATOM 101 H H . THR A 1 8 ? 1.759 -10.289 4.438 1.00 9.78 ? 8 THR A H 1 ATOM 102 H HA . THR A 1 8 ? 0.999 -11.155 1.962 1.00 10.78 ? 8 THR A HA 1 ATOM 103 H HB . THR A 1 8 ? -0.012 -12.162 4.428 1.00 11.55 ? 8 THR A HB 1 ATOM 104 H HG1 . THR A 1 8 ? 0.999 -14.023 3.782 1.00 11.97 ? 8 THR A HG1 1 ATOM 105 H HG21 . THR A 1 8 ? -1.705 -12.201 2.784 1.00 12.17 ? 8 THR A HG21 1 ATOM 106 H HG22 . THR A 1 8 ? -0.758 -13.027 1.828 1.00 12.17 ? 8 THR A HG22 1 ATOM 107 H HG23 . THR A 1 8 ? -1.291 -13.677 3.164 1.00 12.17 ? 8 THR A HG23 1 ATOM 108 N N . PRO A 1 9 ? -0.927 -9.560 1.819 1.00 8.88 ? 9 PRO A N 1 ATOM 109 C CA . PRO A 1 9 ? -2.033 -8.597 1.897 1.00 9.22 ? 9 PRO A CA 1 ATOM 110 C C . PRO A 1 9 ? -3.196 -9.102 2.757 1.00 10.15 ? 9 PRO A C 1 ATOM 111 O O . PRO A 1 9 ? -3.521 -10.286 2.741 1.00 10.41 ? 9 PRO A O 1 ATOM 112 C CB . PRO A 1 9 ? -2.501 -8.459 0.445 1.00 10.78 ? 9 PRO A CB 1 ATOM 113 C CG . PRO A 1 9 ? -1.548 -9.162 -0.398 1.00 12.93 ? 9 PRO A CG 1 ATOM 114 C CD . PRO A 1 9 ? -0.663 -10.019 0.442 1.00 10.14 ? 9 PRO A CD 1 ATOM 115 H HA . PRO A 1 9 ? -1.723 -7.739 2.227 1.00 11.06 ? 9 PRO A HA 1 ATOM 116 H HB2 . PRO A 1 9 ? -3.383 -8.855 0.355 1.00 12.94 ? 9 PRO A HB2 1 ATOM 117 H HB3 . PRO A 1 9 ? -2.530 -7.520 0.207 1.00 12.94 ? 9 PRO A HB3 1 ATOM 118 H HG2 . PRO A 1 9 ? -2.036 -9.714 -1.029 1.00 15.51 ? 9 PRO A HG2 1 ATOM 119 H HG3 . PRO A 1 9 ? -1.014 -8.509 -0.877 1.00 15.51 ? 9 PRO A HG3 1 ATOM 120 H HD2 . PRO A 1 9 ? -0.909 -10.953 0.346 1.00 12.17 ? 9 PRO A HD2 1 ATOM 121 H HD3 . PRO A 1 9 ? 0.267 -9.871 0.211 1.00 12.17 ? 9 PRO A HD3 1 ATOM 122 N N . ILE A 1 10 ? -3.833 -8.207 3.496 1.00 10.20 ? 10 ILE A N 1 ATOM 123 C CA . ILE A 1 10 ? -4.919 -8.600 4.380 1.00 9.85 ? 10 ILE A CA 1 ATOM 124 C C . ILE A 1 10 ? -6.232 -8.811 3.647 1.00 10.85 ? 10 ILE A C 1 ATOM 125 O O . ILE A 1 10 ? -7.149 -9.417 4.198 1.00 12.65 ? 10 ILE A O 1 ATOM 126 C CB . ILE A 1 10 ? -5.125 -7.588 5.510 1.00 10.30 ? 10 ILE A CB 1 ATOM 127 C CG1 . ILE A 1 10 ? -5.577 -6.213 4.996 1.00 11.26 ? 10 ILE A CG1 1 ATOM 128 C CG2 . ILE A 1 10 ? -3.845 -7.468 6.353 1.00 10.73 ? 10 ILE A CG2 1 ATOM 129 C CD1 . ILE A 1 10 ? -6.143 -5.312 6.098 1.00 12.40 ? 10 ILE A CD1 1 ATOM 130 H H . ILE A 1 10 ? -3.656 -7.365 3.505 1.00 12.24 ? 10 ILE A H 1 ATOM 131 H HA . ILE A 1 10 ? -4.681 -9.446 4.792 1.00 11.82 ? 10 ILE A HA 1 ATOM 132 H HB . ILE A 1 10 ? -5.826 -7.931 6.087 1.00 12.36 ? 10 ILE A HB 1 ATOM 133 H HG12 . ILE A 1 10 ? -4.816 -5.759 4.601 1.00 13.51 ? 10 ILE A HG12 1 ATOM 134 H HG13 . ILE A 1 10 ? -6.270 -6.338 4.328 1.00 13.51 ? 10 ILE A HG13 1 ATOM 135 H HG21 . ILE A 1 10 ? -3.634 -8.336 6.731 1.00 12.88 ? 10 ILE A HG21 1 ATOM 136 H HG22 . ILE A 1 10 ? -3.119 -7.171 5.782 1.00 12.88 ? 10 ILE A HG22 1 ATOM 137 H HG23 . ILE A 1 10 ? -3.993 -6.824 7.063 1.00 12.88 ? 10 ILE A HG23 1 ATOM 138 H HD11 . ILE A 1 10 ? -6.407 -4.465 5.708 1.00 14.89 ? 10 ILE A HD11 1 ATOM 139 H HD12 . ILE A 1 10 ? -6.912 -5.748 6.497 1.00 14.89 ? 10 ILE A HD12 1 ATOM 140 H HD13 . ILE A 1 10 ? -5.458 -5.168 6.769 1.00 14.89 ? 10 ILE A HD13 1 ATOM 141 N N . ASP A 1 11 ? -6.331 -8.287 2.429 1.00 10.09 ? 11 ASP A N 1 ATOM 142 C CA . ASP A 1 11 ? -7.564 -8.340 1.654 1.00 10.57 ? 11 ASP A CA 1 ATOM 143 C C . ASP A 1 11 ? -7.263 -8.177 0.173 1.00 11.19 ? 11 ASP A C 1 ATOM 144 O O . ASP A 1 11 ? -6.101 -8.025 -0.225 1.00 11.28 ? 11 ASP A O 1 ATOM 145 C CB . ASP A 1 11 ? -8.595 -7.302 2.146 1.00 10.88 ? 11 ASP A CB 1 ATOM 146 C CG . ASP A 1 11 ? -8.125 -5.862 2.042 1.00 12.43 ? 11 ASP A CG 1 ATOM 147 O OD1 . ASP A 1 11 ? -7.278 -5.537 1.188 1.00 11.85 ? 11 ASP A OD1 1 ATOM 148 O OD2 . ASP A 1 11 ? -8.657 -5.032 2.829 1.00 14.23 ? 11 ASP A OD2 1 ATOM 149 H H . ASP A 1 11 ? -5.686 -7.888 2.024 1.00 12.11 ? 11 ASP A H 1 ATOM 150 H HA . ASP A 1 11 ? -7.961 -9.217 1.773 1.00 12.69 ? 11 ASP A HA 1 ATOM 151 H HB2 . ASP A 1 11 ? -9.401 -7.389 1.614 1.00 13.06 ? 11 ASP A HB2 1 ATOM 152 H HB3 . ASP A 1 11 ? -8.796 -7.481 3.078 1.00 13.06 ? 11 ASP A HB3 1 ATOM 153 N N . SER A 1 12 ? -8.315 -8.202 -0.642 1.00 12.60 ? 12 SER A N 1 ATOM 154 C CA . SER A 1 12 ? -8.175 -8.193 -2.091 1.00 13.50 ? 12 SER A CA 1 ATOM 155 C C . SER A 1 12 ? -7.729 -6.848 -2.672 1.00 13.60 ? 12 SER A C 1 ATOM 156 O O . SER A 1 12 ? -7.415 -6.770 -3.855 1.00 14.79 ? 12 SER A O 1 ATOM 157 C CB . SER A 1 12 ? -9.500 -8.591 -2.733 1.00 15.72 ? 12 SER A CB 1 ATOM 158 O OG . SER A 1 12 ? -10.479 -7.612 -2.460 1.00 18.50 ? 12 SER A OG 1 ATOM 159 H H . SER A 1 12 ? -9.131 -8.225 -0.373 1.00 15.12 ? 12 SER A H 1 ATOM 160 H HA . SER A 1 12 ? -7.513 -8.856 -2.343 1.00 16.20 ? 12 SER A HA 1 ATOM 161 H HB2 . SER A 1 12 ? -9.380 -8.663 -3.693 1.00 18.86 ? 12 SER A HB2 1 ATOM 162 H HB3 . SER A 1 12 ? -9.789 -9.441 -2.367 1.00 18.86 ? 12 SER A HB3 1 ATOM 163 H HG . SER A 1 12 ? -11.209 -7.829 -2.813 1.00 22.20 ? 12 SER A HG 1 ATOM 164 N N . LEU A 1 13 ? -7.671 -5.813 -1.835 1.00 12.18 ? 13 LEU A N 1 ATOM 165 C CA . LEU A 1 13 ? -7.281 -4.475 -2.272 1.00 12.46 ? 13 LEU A CA 1 ATOM 166 C C . LEU A 1 13 ? -5.864 -4.087 -1.862 1.00 11.16 ? 13 LEU A C 1 ATOM 167 O O . LEU A 1 13 ? -5.411 -2.992 -2.179 1.00 11.96 ? 13 LEU A O 1 ATOM 168 C CB . LEU A 1 13 ? -8.249 -3.432 -1.701 1.00 14.30 ? 13 LEU A CB 1 ATOM 169 C CG . LEU A 1 13 ? -9.722 -3.562 -2.089 1.00 16.73 ? 13 LEU A CG 1 ATOM 170 C CD1 . LEU A 1 13 ? -10.521 -2.469 -1.412 1.00 17.32 ? 13 LEU A CD1 1 ATOM 171 C CD2 . LEU A 1 13 ? -9.897 -3.500 -3.596 1.00 17.98 ? 13 LEU A CD2 1 ATOM 172 H H . LEU A 1 13 ? -7.857 -5.862 -0.997 1.00 14.61 ? 13 LEU A H 1 ATOM 173 H HA . LEU A 1 13 ? -7.333 -4.433 -3.240 1.00 14.95 ? 13 LEU A HA 1 ATOM 174 H HB2 . LEU A 1 13 ? -8.203 -3.477 -0.734 1.00 17.16 ? 13 LEU A HB2 1 ATOM 175 H HB3 . LEU A 1 13 ? -7.954 -2.555 -1.994 1.00 17.16 ? 13 LEU A HB3 1 ATOM 176 H HG . LEU A 1 13 ? -10.058 -4.418 -1.780 1.00 20.07 ? 13 LEU A HG 1 ATOM 177 H HD11 . LEU A 1 13 ? -11.454 -2.559 -1.663 1.00 20.78 ? 13 LEU A HD11 1 ATOM 178 H HD12 . LEU A 1 13 ? -10.427 -2.557 -0.451 1.00 20.78 ? 13 LEU A HD12 1 ATOM 179 H HD13 . LEU A 1 13 ? -10.183 -1.607 -1.700 1.00 20.78 ? 13 LEU A HD13 1 ATOM 180 H HD21 . LEU A 1 13 ? -10.839 -3.585 -3.808 1.00 21.58 ? 13 LEU A HD21 1 ATOM 181 H HD22 . LEU A 1 13 ? -9.561 -2.648 -3.917 1.00 21.58 ? 13 LEU A HD22 1 ATOM 182 H HD23 . LEU A 1 13 ? -9.399 -4.226 -4.001 1.00 21.58 ? 13 LEU A HD23 1 ATOM 183 N N . ASP A 1 14 ? -5.167 -4.973 -1.156 1.00 10.47 ? 14 ASP A N 1 ATOM 184 C CA . ASP A 1 14 ? -3.867 -4.654 -0.558 1.00 10.63 ? 14 ASP A CA 1 ATOM 185 C C . ASP A 1 14 ? -3.996 -3.469 0.401 1.00 10.27 ? 14 ASP A C 1 ATOM 186 O O . ASP A 1 14 ? -3.155 -2.566 0.401 1.00 11.17 ? 14 ASP A O 1 ATOM 187 C CB . ASP A 1 14 ? -2.795 -4.299 -1.603 1.00 11.01 ? 14 ASP A CB 1 ATOM 188 C CG . ASP A 1 14 ? -2.476 -5.421 -2.571 1.00 11.63 ? 14 ASP A CG 1 ATOM 189 O OD1 . ASP A 1 14 ? -2.827 -6.586 -2.317 1.00 12.41 ? 14 ASP A OD1 1 ATOM 190 O OD2 . ASP A 1 14 ? -1.850 -5.116 -3.611 1.00 11.56 ? 14 ASP A OD2 1 ATOM 191 H H . ASP A 1 14 ? -5.428 -5.779 -1.005 1.00 12.56 ? 14 ASP A H 1 ATOM 192 H HA . ASP A 1 14 ? -3.553 -5.420 -0.052 1.00 12.76 ? 14 ASP A HA 1 ATOM 193 H HB2 . ASP A 1 14 ? -3.106 -3.541 -2.123 1.00 13.22 ? 14 ASP A HB2 1 ATOM 194 H HB3 . ASP A 1 14 ? -1.975 -4.065 -1.141 1.00 13.22 ? 14 ASP A HB3 1 ATOM 195 N N . ASP A 1 15 ? -5.024 -3.467 1.238 1.00 10.64 ? 15 ASP A N 1 ATOM 196 C CA . ASP A 1 15 ? -5.201 -2.356 2.180 1.00 11.17 ? 15 ASP A CA 1 ATOM 197 C C . ASP A 1 15 ? -4.052 -2.252 3.188 1.00 11.35 ? 15 ASP A C 1 ATOM 198 O O . ASP A 1 15 ? -3.696 -1.162 3.638 1.00 11.13 ? 15 ASP A O 1 ATOM 199 C CB . ASP A 1 15 ? -6.555 -2.465 2.882 1.00 12.81 ? 15 ASP A CB 1 ATOM 200 C CG . ASP A 1 15 ? -7.693 -1.953 2.021 1.00 15.10 ? 15 ASP A CG 1 ATOM 201 O OD1 . ASP A 1 15 ? -7.541 -0.874 1.410 1.00 16.66 ? 15 ASP A OD1 1 ATOM 202 O OD2 . ASP A 1 15 ? -8.735 -2.638 1.930 1.00 15.19 ? 15 ASP A OD2 1 ATOM 203 H H . ASP A 1 15 ? -5.625 -4.081 1.286 1.00 12.77 ? 15 ASP A H 1 ATOM 204 H HA . ASP A 1 15 ? -5.209 -1.530 1.672 1.00 13.40 ? 15 ASP A HA 1 ATOM 205 H HB2 . ASP A 1 15 ? -6.731 -3.396 3.090 1.00 15.38 ? 15 ASP A HB2 1 ATOM 206 H HB3 . ASP A 1 15 ? -6.534 -1.940 3.697 1.00 15.38 ? 15 ASP A HB3 1 ATOM 207 N N . ALA A 1 16 ? -3.480 -3.392 3.527 1.00 10.59 ? 16 ALA A N 1 ATOM 208 C CA . ALA A 1 16 ? -2.313 -3.465 4.390 1.00 10.15 ? 16 ALA A CA 1 ATOM 209 C C . ALA A 1 16 ? -1.720 -4.849 4.212 1.00 9.17 ? 16 ALA A C 1 ATOM 210 O O . ALA A 1 16 ? -2.319 -5.700 3.545 1.00 9.13 ? 16 ALA A O 1 ATOM 211 C CB . ALA A 1 16 ? -2.674 -3.221 5.844 1.00 10.49 ? 16 ALA A CB 1 ATOM 212 H H . ALA A 1 16 ? -3.758 -4.162 3.263 1.00 12.71 ? 16 ALA A H 1 ATOM 213 H HA . ALA A 1 16 ? -1.658 -2.805 4.115 1.00 12.18 ? 16 ALA A HA 1 ATOM 214 H HB1 . ALA A 1 16 ? -3.312 -3.895 6.128 1.00 12.59 ? 16 ALA A HB1 1 ATOM 215 H HB2 . ALA A 1 16 ? -1.869 -3.279 6.383 1.00 12.59 ? 16 ALA A HB2 1 ATOM 216 H HB3 . ALA A 1 16 ? -3.066 -2.338 5.928 1.00 12.59 ? 16 ALA A HB3 1 ATOM 217 N N . TYR A 1 17 ? -0.551 -5.063 4.808 1.00 8.75 ? 17 TYR A N 1 ATOM 218 C CA . TYR A 1 17 ? 0.166 -6.323 4.725 1.00 8.49 ? 17 TYR A CA 1 ATOM 219 C C . TYR A 1 17 ? 0.499 -6.786 6.133 1.00 7.70 ? 17 TYR A C 1 ATOM 220 O O . TYR A 1 17 ? 0.837 -5.980 7.004 1.00 9.10 ? 17 TYR A O 1 ATOM 221 C CB . TYR A 1 17 ? 1.449 -6.152 3.923 1.00 9.95 ? 17 TYR A CB 1 ATOM 222 C CG . TYR A 1 17 ? 1.228 -5.708 2.491 1.00 9.98 ? 17 TYR A CG 1 ATOM 223 C CD1 . TYR A 1 17 ? 0.943 -4.389 2.183 1.00 10.45 ? 17 TYR A CD1 1 ATOM 224 C CD2 . TYR A 1 17 ? 1.334 -6.606 1.449 1.00 9.58 ? 17 TYR A CD2 1 ATOM 225 C CE1 . TYR A 1 17 ? 0.740 -3.989 0.883 1.00 10.96 ? 17 TYR A CE1 1 ATOM 226 C CE2 . TYR A 1 17 ? 1.126 -6.211 0.132 1.00 9.76 ? 17 TYR A CE2 1 ATOM 227 C CZ . TYR A 1 17 ? 0.855 -4.894 -0.145 1.00 9.89 ? 17 TYR A CZ 1 ATOM 228 O OH . TYR A 1 17 ? 0.646 -4.488 -1.440 1.00 11.39 ? 17 TYR A OH 1 ATOM 229 H H . TYR A 1 17 ? -0.144 -4.471 5.280 1.00 10.50 ? 17 TYR A H 1 ATOM 230 H HA . TYR A 1 17 ? -0.388 -6.992 4.295 1.00 10.19 ? 17 TYR A HA 1 ATOM 231 H HB2 . TYR A 1 17 ? 2.002 -5.485 4.357 1.00 11.94 ? 17 TYR A HB2 1 ATOM 232 H HB3 . TYR A 1 17 ? 1.917 -7.002 3.900 1.00 11.94 ? 17 TYR A HB3 1 ATOM 233 H HD1 . TYR A 1 17 ? 0.871 -3.765 2.869 1.00 12.54 ? 17 TYR A HD1 1 ATOM 234 H HD2 . TYR A 1 17 ? 1.525 -7.498 1.633 1.00 11.49 ? 17 TYR A HD2 1 ATOM 235 H HE1 . TYR A 1 17 ? 0.549 -3.098 0.697 1.00 13.15 ? 17 TYR A HE1 1 ATOM 236 H HE2 . TYR A 1 17 ? 1.201 -6.829 -0.560 1.00 11.72 ? 17 TYR A HE2 1 ATOM 237 H HH . TYR A 1 17 ? 0.458 -3.669 -1.458 1.00 13.67 ? 17 TYR A HH 1 ATOM 238 N N . ILE A 1 18 ? 0.389 -8.089 6.359 1.00 7.30 ? 18 ILE A N 1 ATOM 239 C CA . ILE A 1 18 ? 0.714 -8.668 7.652 1.00 7.52 ? 18 ILE A CA 1 ATOM 240 C C . ILE A 1 18 ? 1.870 -9.647 7.526 1.00 7.86 ? 18 ILE A C 1 ATOM 241 O O . ILE A 1 18 ? 1.975 -10.390 6.548 1.00 8.44 ? 18 ILE A O 1 ATOM 242 C CB . ILE A 1 18 ? -0.486 -9.360 8.332 1.00 7.98 ? 18 ILE A CB 1 ATOM 243 C CG1 . ILE A 1 18 ? -1.214 -10.311 7.379 1.00 9.12 ? 18 ILE A CG1 1 ATOM 244 C CG2 . ILE A 1 18 ? -1.419 -8.322 8.923 1.00 8.74 ? 18 ILE A CG2 1 ATOM 245 C CD1 . ILE A 1 18 ? -2.269 -11.163 8.062 1.00 9.56 ? 18 ILE A CD1 1 ATOM 246 H H . ILE A 1 18 ? 0.127 -8.663 5.774 1.00 8.76 ? 18 ILE A H 1 ATOM 247 H HA . ILE A 1 18 ? 1.005 -7.953 8.240 1.00 9.02 ? 18 ILE A HA 1 ATOM 248 H HB . ILE A 1 18 ? -0.139 -9.892 9.065 1.00 9.57 ? 18 ILE A HB 1 ATOM 249 H HG12 . ILE A 1 18 ? -1.654 -9.788 6.690 1.00 10.95 ? 18 ILE A HG12 1 ATOM 250 H HG13 . ILE A 1 18 ? -0.565 -10.908 6.975 1.00 10.95 ? 18 ILE A HG13 1 ATOM 251 H HG21 . ILE A 1 18 ? -1.739 -7.745 8.212 1.00 10.49 ? 18 ILE A HG21 1 ATOM 252 H HG22 . ILE A 1 18 ? -2.166 -8.774 9.345 1.00 10.49 ? 18 ILE A HG22 1 ATOM 253 H HG23 . ILE A 1 18 ? -0.933 -7.799 9.580 1.00 10.49 ? 18 ILE A HG23 1 ATOM 254 H HD11 . ILE A 1 18 ? -2.686 -11.737 7.401 1.00 11.47 ? 18 ILE A HD11 1 ATOM 255 H HD12 . ILE A 1 18 ? -1.844 -11.701 8.747 1.00 11.47 ? 18 ILE A HD12 1 ATOM 256 H HD13 . ILE A 1 18 ? -2.933 -10.581 8.462 1.00 11.47 ? 18 ILE A HD13 1 ATOM 257 N N . THR A 1 19 ? 2.716 -9.650 8.551 1.00 7.43 ? 19 THR A N 1 ATOM 258 C CA . THR A 1 19 ? 3.928 -10.443 8.587 1.00 7.25 ? 19 THR A CA 1 ATOM 259 C C . THR A 1 19 ? 3.942 -11.175 9.929 1.00 7.30 ? 19 THR A C 1 ATOM 260 O O . THR A 1 19 ? 3.737 -10.555 10.966 1.00 7.48 ? 19 THR A O 1 ATOM 261 C CB . THR A 1 19 ? 5.150 -9.517 8.487 1.00 8.10 ? 19 THR A CB 1 ATOM 262 O OG1 . THR A 1 19 ? 5.016 -8.654 7.352 1.00 8.10 ? 19 THR A OG1 1 ATOM 263 C CG2 . THR A 1 19 ? 6.424 -10.314 8.345 1.00 8.37 ? 19 THR A CG2 1 ATOM 264 H H . THR A 1 19 ? 2.599 -9.181 9.262 1.00 8.91 ? 19 THR A H 1 ATOM 265 H HA . THR A 1 19 ? 3.942 -11.086 7.861 1.00 8.70 ? 19 THR A HA 1 ATOM 266 H HB . THR A 1 19 ? 5.214 -8.980 9.293 1.00 9.73 ? 19 THR A HB 1 ATOM 267 H HG1 . THR A 1 19 ? 4.323 -8.185 7.427 1.00 9.71 ? 19 THR A HG1 1 ATOM 268 H HG21 . THR A 1 19 ? 6.386 -10.859 7.543 1.00 10.05 ? 19 THR A HG21 1 ATOM 269 H HG22 . THR A 1 19 ? 7.185 -9.716 8.283 1.00 10.05 ? 19 THR A HG22 1 ATOM 270 H HG23 . THR A 1 19 ? 6.540 -10.893 9.114 1.00 10.05 ? 19 THR A HG23 1 ATOM 271 N N . PRO A 1 20 ? 4.156 -12.498 9.922 1.00 7.46 ? 20 PRO A N 1 ATOM 272 C CA . PRO A 1 20 ? 4.152 -13.236 11.184 1.00 7.68 ? 20 PRO A CA 1 ATOM 273 C C . PRO A 1 20 ? 5.386 -12.905 12.018 1.00 7.55 ? 20 PRO A C 1 ATOM 274 O O . PRO A 1 20 ? 6.495 -12.806 11.481 1.00 7.81 ? 20 PRO A O 1 ATOM 275 C CB . PRO A 1 20 ? 4.145 -14.707 10.731 1.00 8.35 ? 20 PRO A CB 1 ATOM 276 C CG . PRO A 1 20 ? 4.863 -14.676 9.454 1.00 7.79 ? 20 PRO A CG 1 ATOM 277 C CD . PRO A 1 20 ? 4.449 -13.382 8.783 1.00 7.91 ? 20 PRO A CD 1 ATOM 278 H HA . PRO A 1 20 ? 3.349 -13.045 11.693 1.00 9.22 ? 20 PRO A HA 1 ATOM 279 H HB2 . PRO A 1 20 ? 4.612 -15.256 11.380 1.00 10.02 ? 20 PRO A HB2 1 ATOM 280 H HB3 . PRO A 1 20 ? 3.232 -15.011 10.609 1.00 10.02 ? 20 PRO A HB3 1 ATOM 281 H HG2 . PRO A 1 20 ? 5.819 -14.684 9.618 1.00 9.34 ? 20 PRO A HG2 1 ATOM 282 H HG3 . PRO A 1 20 ? 4.603 -15.439 8.915 1.00 9.34 ? 20 PRO A HG3 1 ATOM 283 H HD2 . PRO A 1 20 ? 5.180 -13.025 8.255 1.00 9.49 ? 20 PRO A HD2 1 ATOM 284 H HD3 . PRO A 1 20 ? 3.653 -13.519 8.246 1.00 9.49 ? 20 PRO A HD3 1 ATOM 285 N N . VAL A 1 21 ? 5.174 -12.746 13.318 1.00 7.28 ? 21 VAL A N 1 ATOM 286 C CA . VAL A 1 21 ? 6.214 -12.362 14.264 1.00 7.26 ? 21 VAL A CA 1 ATOM 287 C C . VAL A 1 21 ? 6.083 -13.251 15.489 1.00 7.58 ? 21 VAL A C 1 ATOM 288 O O . VAL A 1 21 ? 4.987 -13.426 16.012 1.00 8.49 ? 21 VAL A O 1 ATOM 289 C CB . VAL A 1 21 ? 6.071 -10.895 14.695 1.00 7.58 ? 21 VAL A CB 1 ATOM 290 C CG1 . VAL A 1 21 ? 7.135 -10.521 15.746 1.00 8.44 ? 21 VAL A CG1 1 ATOM 291 C CG2 . VAL A 1 21 ? 6.131 -9.974 13.472 1.00 8.42 ? 21 VAL A CG2 1 ATOM 292 H H . VAL A 1 21 ? 4.407 -12.859 13.689 1.00 8.74 ? 21 VAL A H 1 ATOM 293 H HA . VAL A 1 21 ? 7.090 -12.493 13.869 1.00 8.72 ? 21 VAL A HA 1 ATOM 294 H HB . VAL A 1 21 ? 5.200 -10.778 15.107 1.00 9.10 ? 21 VAL A HB 1 ATOM 295 H HG11 . VAL A 1 21 ? 7.688 -11.297 15.926 1.00 10.12 ? 21 VAL A HG11 1 ATOM 296 H HG12 . VAL A 1 21 ? 7.682 -9.798 15.398 1.00 10.12 ? 21 VAL A HG12 1 ATOM 297 H HG13 . VAL A 1 21 ? 6.689 -10.237 16.560 1.00 10.12 ? 21 VAL A HG13 1 ATOM 298 H HG21 . VAL A 1 21 ? 6.248 -10.515 12.675 1.00 10.10 ? 21 VAL A HG21 1 ATOM 299 H HG22 . VAL A 1 21 ? 5.302 -9.473 13.414 1.00 10.10 ? 21 VAL A HG22 1 ATOM 300 H HG23 . VAL A 1 21 ? 6.880 -9.365 13.572 1.00 10.10 ? 21 VAL A HG23 1 ATOM 301 N N . GLN A 1 22 ? 7.197 -13.844 15.916 1.00 7.25 ? 22 GLN A N 1 ATOM 302 C CA . GLN A 1 22 ? 7.231 -14.710 17.087 1.00 7.28 ? 22 GLN A CA 1 ATOM 303 C C . GLN A 1 22 ? 7.602 -13.895 18.313 1.00 7.71 ? 22 GLN A C 1 ATOM 304 O O . GLN A 1 22 ? 8.647 -13.236 18.330 1.00 9.64 ? 22 GLN A O 1 ATOM 305 C CB . GLN A 1 22 ? 8.256 -15.823 16.879 1.00 7.81 ? 22 GLN A CB 1 ATOM 306 C CG . GLN A 1 22 ? 7.738 -16.956 15.988 1.00 8.37 ? 22 GLN A CG 1 ATOM 307 C CD . GLN A 1 22 ? 7.612 -16.603 14.521 1.00 8.45 ? 22 GLN A CD 1 ATOM 308 O OE1 . GLN A 1 22 ? 8.535 -16.045 13.920 1.00 8.58 ? 22 GLN A OE1 1 ATOM 309 N NE2 . GLN A 1 22 ? 6.485 -16.968 13.923 1.00 8.68 ? 22 GLN A NE2 1 ATOM 310 H H . GLN A 1 22 ? 7.963 -13.755 15.534 1.00 8.70 ? 22 GLN A H 1 ATOM 311 H HA . GLN A 1 22 ? 6.359 -15.109 17.228 1.00 8.74 ? 22 GLN A HA 1 ATOM 312 H HB2 . GLN A 1 22 ? 9.046 -15.450 16.458 1.00 9.37 ? 22 GLN A HB2 1 ATOM 313 H HB3 . GLN A 1 22 ? 8.489 -16.203 17.741 1.00 9.37 ? 22 GLN A HB3 1 ATOM 314 H HG2 . GLN A 1 22 ? 8.347 -17.708 16.058 1.00 10.04 ? 22 GLN A HG2 1 ATOM 315 H HG3 . GLN A 1 22 ? 6.859 -17.220 16.303 1.00 10.04 ? 22 GLN A HG3 1 ATOM 316 H HE21 . GLN A 1 22 ? 6.363 -16.791 13.090 1.00 10.42 ? 22 GLN A HE21 1 ATOM 317 H HE22 . GLN A 1 22 ? 5.876 -17.381 14.368 1.00 10.42 ? 22 GLN A HE22 1 ATOM 318 N N . ILE A 1 23 ? 6.744 -13.933 19.328 1.00 8.28 ? 23 ILE A N 1 ATOM 319 C CA . ILE A 1 23 ? 6.965 -13.186 20.564 1.00 8.31 ? 23 ILE A CA 1 ATOM 320 C C . ILE A 1 23 ? 6.926 -14.142 21.754 1.00 8.54 ? 23 ILE A C 1 ATOM 321 O O . ILE A 1 23 ? 5.982 -14.917 21.921 1.00 9.73 ? 23 ILE A O 1 ATOM 322 C CB . ILE A 1 23 ? 5.889 -12.091 20.767 1.00 9.52 ? 23 ILE A CB 1 ATOM 323 C CG1 . ILE A 1 23 ? 5.759 -11.233 19.502 1.00 10.09 ? 23 ILE A CG1 1 ATOM 324 C CG2 . ILE A 1 23 ? 6.222 -11.230 21.987 1.00 10.47 ? 23 ILE A CG2 1 ATOM 325 C CD1 . ILE A 1 23 ? 4.641 -10.213 19.553 1.00 10.71 ? 23 ILE A CD1 1 ATOM 326 H H . ILE A 1 23 ? 6.016 -14.390 19.326 1.00 9.93 ? 23 ILE A H 1 ATOM 327 H HA . ILE A 1 23 ? 7.837 -12.761 20.536 1.00 9.97 ? 23 ILE A HA 1 ATOM 328 H HB . ILE A 1 23 ? 5.038 -12.528 20.926 1.00 11.43 ? 23 ILE A HB 1 ATOM 329 H HG12 . ILE A 1 23 ? 6.590 -10.752 19.365 1.00 12.10 ? 23 ILE A HG12 1 ATOM 330 H HG13 . ILE A 1 23 ? 5.590 -11.817 18.746 1.00 12.10 ? 23 ILE A HG13 1 ATOM 331 H HG21 . ILE A 1 23 ? 7.084 -10.808 21.849 1.00 12.57 ? 23 ILE A HG21 1 ATOM 332 H HG22 . ILE A 1 23 ? 5.535 -10.553 22.092 1.00 12.57 ? 23 ILE A HG22 1 ATOM 333 H HG23 . ILE A 1 23 ? 6.252 -11.796 22.774 1.00 12.57 ? 23 ILE A HG23 1 ATOM 334 H HD11 . ILE A 1 23 ? 4.799 -9.609 20.296 1.00 12.86 ? 23 ILE A HD11 1 ATOM 335 H HD12 . ILE A 1 23 ? 4.629 -9.717 18.720 1.00 12.86 ? 23 ILE A HD12 1 ATOM 336 H HD13 . ILE A 1 23 ? 3.797 -10.675 19.676 1.00 12.86 ? 23 ILE A HD13 1 ATOM 337 N N . GLY A 1 24 ? 7.955 -14.095 22.588 1.00 9.00 ? 24 GLY A N 1 ATOM 338 C CA . GLY A 1 24 ? 7.933 -14.840 23.831 1.00 10.21 ? 24 GLY A CA 1 ATOM 339 C C . GLY A 1 24 ? 8.432 -16.268 23.727 1.00 10.38 ? 24 GLY A C 1 ATOM 340 O O . GLY A 1 24 ? 8.824 -16.742 22.661 1.00 10.92 ? 24 GLY A O 1 ATOM 341 H H . GLY A 1 24 ? 8.673 -13.640 22.457 1.00 10.80 ? 24 GLY A H 1 ATOM 342 H HA2 . GLY A 1 24 ? 8.481 -14.379 24.484 1.00 12.25 ? 24 GLY A HA2 1 ATOM 343 H HA3 . GLY A 1 24 ? 7.023 -14.866 24.166 1.00 12.25 ? 24 GLY A HA3 1 ATOM 344 N N . THR A 1 25 ? 8.391 -16.948 24.867 1.00 10.50 ? 25 THR A N 1 ATOM 345 C CA . THR A 1 25 ? 8.871 -18.311 25.018 1.00 11.41 ? 25 THR A CA 1 ATOM 346 C C . THR A 1 25 ? 7.874 -19.114 25.860 1.00 12.10 ? 25 THR A C 1 ATOM 347 O O . THR A 1 25 ? 7.614 -18.756 27.005 1.00 12.83 ? 25 THR A O 1 ATOM 348 C CB . THR A 1 25 ? 10.207 -18.327 25.772 1.00 12.58 ? 25 THR A CB 1 ATOM 349 O OG1 . THR A 1 25 ? 11.113 -17.397 25.160 1.00 12.79 ? 25 THR A OG1 1 ATOM 350 C CG2 . THR A 1 25 ? 10.818 -19.743 25.785 1.00 14.05 ? 25 THR A CG2 1 ATOM 351 H H . THR A 1 25 ? 8.074 -16.623 25.597 1.00 12.60 ? 25 THR A H 1 ATOM 352 H HA . THR A 1 25 ? 8.981 -18.733 24.151 1.00 13.69 ? 25 THR A HA 1 ATOM 353 H HB . THR A 1 25 ? 10.053 -18.060 26.691 1.00 15.10 ? 25 THR A HB 1 ATOM 354 H HG1 . THR A 1 25 ? 10.790 -16.622 25.187 1.00 15.35 ? 25 THR A HG1 1 ATOM 355 H HG21 . THR A 1 25 ? 10.212 -20.362 26.222 1.00 16.86 ? 25 THR A HG21 1 ATOM 356 H HG22 . THR A 1 25 ? 10.976 -20.044 24.876 1.00 16.86 ? 25 THR A HG22 1 ATOM 357 H HG23 . THR A 1 25 ? 11.661 -19.735 26.265 1.00 16.86 ? 25 THR A HG23 1 ATOM 358 N N . PRO A 1 26 ? 7.275 -20.174 25.295 1.00 12.17 ? 26 PRO A N 1 ATOM 359 C CA . PRO A 1 26 ? 7.330 -20.570 23.879 1.00 11.61 ? 26 PRO A CA 1 ATOM 360 C C . PRO A 1 26 ? 6.770 -19.466 22.975 1.00 10.83 ? 26 PRO A C 1 ATOM 361 O O . PRO A 1 26 ? 6.062 -18.581 23.444 1.00 11.35 ? 26 PRO A O 1 ATOM 362 C CB . PRO A 1 26 ? 6.455 -21.833 23.826 1.00 13.64 ? 26 PRO A CB 1 ATOM 363 C CG . PRO A 1 26 ? 5.535 -21.692 24.967 1.00 15.12 ? 26 PRO A CG 1 ATOM 364 C CD . PRO A 1 26 ? 6.308 -20.983 26.051 1.00 13.60 ? 26 PRO A CD 1 ATOM 365 H HA . PRO A 1 26 ? 8.238 -20.787 23.615 1.00 13.93 ? 26 PRO A HA 1 ATOM 366 H HB2 . PRO A 1 26 ? 5.965 -21.857 22.989 1.00 16.36 ? 26 PRO A HB2 1 ATOM 367 H HB3 . PRO A 1 26 ? 7.009 -22.622 23.925 1.00 16.36 ? 26 PRO A HB3 1 ATOM 368 H HG2 . PRO A 1 26 ? 4.766 -21.165 24.699 1.00 18.14 ? 26 PRO A HG2 1 ATOM 369 H HG3 . PRO A 1 26 ? 5.257 -22.571 25.268 1.00 18.14 ? 26 PRO A HG3 1 ATOM 370 H HD2 . PRO A 1 26 ? 5.719 -20.411 26.569 1.00 16.32 ? 26 PRO A HD2 1 ATOM 371 H HD3 . PRO A 1 26 ? 6.769 -21.624 26.614 1.00 16.32 ? 26 PRO A HD3 1 ATOM 372 N N . ALA A 1 27 ? 7.074 -19.533 21.688 1.00 11.04 ? 27 ALA A N 1 ATOM 373 C CA . ALA A 1 27 ? 6.663 -18.495 20.759 1.00 10.78 ? 27 ALA A CA 1 ATOM 374 C C . ALA A 1 27 ? 5.152 -18.360 20.715 1.00 9.96 ? 27 ALA A C 1 ATOM 375 O O . ALA A 1 27 ? 4.410 -19.354 20.687 1.00 10.50 ? 27 ALA A O 1 ATOM 376 C CB . ALA A 1 27 ? 7.196 -18.794 19.367 1.00 11.40 ? 27 ALA A CB 1 ATOM 377 H H . ALA A 1 27 ? 7.519 -20.173 21.326 1.00 13.25 ? 27 ALA A H 1 ATOM 378 H HA . ALA A 1 27 ? 7.033 -17.646 21.048 1.00 12.93 ? 27 ALA A HA 1 ATOM 379 H HB1 . ALA A 1 27 ? 6.912 -18.091 18.763 1.00 13.69 ? 27 ALA A HB1 1 ATOM 380 H HB2 . ALA A 1 27 ? 8.165 -18.830 19.401 1.00 13.69 ? 27 ALA A HB2 1 ATOM 381 H HB3 . ALA A 1 27 ? 6.843 -19.648 19.071 1.00 13.69 ? 27 ALA A HB3 1 ATOM 382 N N . GLN A 1 28 ? 4.718 -17.109 20.714 1.00 9.60 ? 28 GLN A N 1 ATOM 383 C CA . GLN A 1 28 ? 3.360 -16.732 20.358 1.00 9.61 ? 28 GLN A CA 1 ATOM 384 C C . GLN A 1 28 ? 3.474 -15.990 19.042 1.00 8.97 ? 28 GLN A C 1 ATOM 385 O O . GLN A 1 28 ? 4.127 -14.943 18.968 1.00 9.97 ? 28 GLN A O 1 ATOM 386 C CB . GLN A 1 28 ? 2.772 -15.832 21.440 1.00 9.55 ? 28 GLN A CB 1 ATOM 387 C CG . GLN A 1 28 ? 2.695 -16.530 22.793 1.00 10.78 ? 28 GLN A CG 1 ATOM 388 C CD . GLN A 1 28 ? 2.135 -15.649 23.889 1.00 10.64 ? 28 GLN A CD 1 ATOM 389 O OE1 . GLN A 1 28 ? 1.190 -14.900 23.661 1.00 12.00 ? 28 GLN A OE1 1 ATOM 390 N NE2 . GLN A 1 28 ? 2.714 -15.733 25.085 1.00 11.46 ? 28 GLN A NE2 1 ATOM 391 H H . GLN A 1 28 ? 5.211 -16.436 20.925 1.00 11.52 ? 28 GLN A H 1 ATOM 392 H HA . GLN A 1 28 ? 2.803 -17.518 20.245 1.00 11.53 ? 28 GLN A HA 1 ATOM 393 H HB2 . GLN A 1 28 ? 3.332 -15.046 21.538 1.00 11.45 ? 28 GLN A HB2 1 ATOM 394 H HB3 . GLN A 1 28 ? 1.874 -15.571 21.183 1.00 11.45 ? 28 GLN A HB3 1 ATOM 395 H HG2 . GLN A 1 28 ? 2.121 -17.308 22.713 1.00 12.93 ? 28 GLN A HG2 1 ATOM 396 H HG3 . GLN A 1 28 ? 3.587 -16.803 23.058 1.00 12.93 ? 28 GLN A HG3 1 ATOM 397 H HE21 . GLN A 1 28 ? 2.428 -15.250 25.736 1.00 13.75 ? 28 GLN A HE21 1 ATOM 398 H HE22 . GLN A 1 28 ? 3.375 -16.270 25.205 1.00 13.75 ? 28 GLN A HE22 1 ATOM 399 N N . THR A 1 29 ? 2.864 -16.534 17.995 1.00 9.64 ? 29 THR A N 1 ATOM 400 C CA . THR A 1 29 ? 2.943 -15.923 16.676 1.00 8.18 ? 29 THR A CA 1 ATOM 401 C C . THR A 1 29 ? 1.764 -15.006 16.445 1.00 8.48 ? 29 THR A C 1 ATOM 402 O O . THR A 1 29 ? 0.614 -15.437 16.488 1.00 8.92 ? 29 THR A O 1 ATOM 403 C CB . THR A 1 29 ? 3.016 -16.977 15.554 1.00 8.52 ? 29 THR A CB 1 ATOM 404 O OG1 . THR A 1 29 ? 4.203 -17.768 15.725 1.00 9.40 ? 29 THR A OG1 1 ATOM 405 C CG2 . THR A 1 29 ? 3.085 -16.284 14.205 1.00 9.73 ? 29 THR A CG2 1 ATOM 406 H H . THR A 1 29 ? 2.398 -17.257 18.023 1.00 11.57 ? 29 THR A H 1 ATOM 407 H HA . THR A 1 29 ? 3.749 -15.386 16.630 1.00 9.81 ? 29 THR A HA 1 ATOM 408 H HB . THR A 1 29 ? 2.230 -17.546 15.579 1.00 10.22 ? 29 THR A HB 1 ATOM 409 H HG1 . THR A 1 29 ? 4.185 -18.155 16.470 1.00 11.28 ? 29 THR A HG1 1 ATOM 410 H HG21 . THR A 1 29 ? 3.873 -15.720 14.163 1.00 11.68 ? 29 THR A HG21 1 ATOM 411 H HG22 . THR A 1 29 ? 3.131 -16.944 13.496 1.00 11.68 ? 29 THR A HG22 1 ATOM 412 H HG23 . THR A 1 29 ? 2.296 -15.735 14.074 1.00 11.68 ? 29 THR A HG23 1 ATOM 413 N N . LEU A 1 30 ? 2.082 -13.734 16.215 1.00 8.47 ? 30 LEU A N 1 ATOM 414 C CA . LEU A 1 30 ? 1.098 -12.701 15.897 1.00 8.30 ? 30 LEU A CA 1 ATOM 415 C C . LEU A 1 30 ? 1.405 -12.132 14.520 1.00 8.24 ? 30 LEU A C 1 ATOM 416 O O . LEU A 1 30 ? 2.564 -12.062 14.121 1.00 9.04 ? 30 LEU A O 1 ATOM 417 C CB . LEU A 1 30 ? 1.083 -11.572 16.942 1.00 8.53 ? 30 LEU A CB 1 ATOM 418 C CG . LEU A 1 30 ? 0.228 -11.764 18.200 1.00 9.37 ? 30 LEU A CG 1 ATOM 419 C CD1 . LEU A 1 30 ? 0.725 -12.912 19.055 1.00 9.57 ? 30 LEU A CD1 1 ATOM 420 C CD2 . LEU A 1 30 ? 0.196 -10.472 19.006 1.00 10.15 ? 30 LEU A CD2 1 ATOM 421 H H . LEU A 1 30 ? 2.889 -13.436 16.239 1.00 10.16 ? 30 LEU A H 1 ATOM 422 H HA . LEU A 1 30 ? 0.215 -13.101 15.870 1.00 9.96 ? 30 LEU A HA 1 ATOM 423 H HB2 . LEU A 1 30 ? 1.995 -11.430 17.241 1.00 10.23 ? 30 LEU A HB2 1 ATOM 424 H HB3 . LEU A 1 30 ? 0.765 -10.767 16.506 1.00 10.23 ? 30 LEU A HB3 1 ATOM 425 H HG . LEU A 1 30 ? -0.681 -11.967 17.931 1.00 11.24 ? 30 LEU A HG 1 ATOM 426 H HD11 . LEU A 1 30 ? 0.693 -13.730 18.535 1.00 11.48 ? 30 LEU A HD11 1 ATOM 427 H HD12 . LEU A 1 30 ? 1.637 -12.729 19.329 1.00 11.48 ? 30 LEU A HD12 1 ATOM 428 H HD13 . LEU A 1 30 ? 0.154 -12.994 19.836 1.00 11.48 ? 30 LEU A HD13 1 ATOM 429 H HD21 . LEU A 1 30 ? -0.347 -10.607 19.798 1.00 12.18 ? 30 LEU A HD21 1 ATOM 430 H HD22 . LEU A 1 30 ? 1.102 -10.238 19.262 1.00 12.18 ? 30 LEU A HD22 1 ATOM 431 H HD23 . LEU A 1 30 ? -0.186 -9.768 18.458 1.00 12.18 ? 30 LEU A HD23 1 ATOM 432 N N . ASN A 1 31 ? 0.358 -11.750 13.796 1.00 7.88 ? 31 ASN A N 1 ATOM 433 C CA . ASN A 1 31 ? 0.508 -11.167 12.472 1.00 7.68 ? 31 ASN A CA 1 ATOM 434 C C . ASN A 1 31 ? 0.475 -9.654 12.555 1.00 7.82 ? 31 ASN A C 1 ATOM 435 O O . ASN A 1 31 ? -0.565 -9.056 12.826 1.00 8.37 ? 31 ASN A O 1 ATOM 436 C CB . ASN A 1 31 ? -0.572 -11.705 11.553 1.00 8.08 ? 31 ASN A CB 1 ATOM 437 C CG . ASN A 1 31 ? -0.459 -13.194 11.342 1.00 8.83 ? 31 ASN A CG 1 ATOM 438 O OD1 . ASN A 1 31 ? 0.638 -13.751 11.342 1.00 9.84 ? 31 ASN A OD1 1 ATOM 439 N ND2 . ASN A 1 31 ? -1.593 -13.842 11.158 1.00 10.60 ? 31 ASN A ND2 1 ATOM 440 H H . ASN A 1 31 ? -0.459 -11.820 14.055 1.00 9.45 ? 31 ASN A H 1 ATOM 441 H HA . ASN A 1 31 ? 1.369 -11.428 12.108 1.00 9.22 ? 31 ASN A HA 1 ATOM 442 H HB2 . ASN A 1 31 ? -1.441 -11.521 11.943 1.00 9.70 ? 31 ASN A HB2 1 ATOM 443 H HB3 . ASN A 1 31 ? -0.497 -11.272 10.688 1.00 9.70 ? 31 ASN A HB3 1 ATOM 444 H HD21 . ASN A 1 31 ? -2.338 -13.413 11.163 1.00 12.72 ? 31 ASN A HD21 1 ATOM 445 H HD22 . ASN A 1 31 ? -1.586 -14.692 11.033 1.00 12.72 ? 31 ASN A HD22 1 ATOM 446 N N . LEU A 1 32 ? 1.641 -9.045 12.364 1.00 7.38 ? 32 LEU A N 1 ATOM 447 C CA . LEU A 1 32 ? 1.805 -7.613 12.578 1.00 7.39 ? 32 LEU A CA 1 ATOM 448 C C . LEU A 1 32 ? 1.917 -6.845 11.269 1.00 7.65 ? 32 LEU A C 1 ATOM 449 O O . LEU A 1 32 ? 2.379 -7.354 10.250 1.00 7.69 ? 32 LEU A O 1 ATOM 450 C CB . LEU A 1 32 ? 3.031 -7.331 13.467 1.00 7.61 ? 32 LEU A CB 1 ATOM 451 C CG . LEU A 1 32 ? 3.050 -8.073 14.808 1.00 7.92 ? 32 LEU A CG 1 ATOM 452 C CD1 . LEU A 1 32 ? 4.203 -7.573 15.645 1.00 9.04 ? 32 LEU A CD1 1 ATOM 453 C CD2 . LEU A 1 32 ? 1.745 -7.947 15.578 1.00 9.06 ? 32 LEU A CD2 1 ATOM 454 H H . LEU A 1 32 ? 2.359 -9.444 12.109 1.00 8.86 ? 32 LEU A H 1 ATOM 455 H HA . LEU A 1 32 ? 1.022 -7.280 13.045 1.00 8.87 ? 32 LEU A HA 1 ATOM 456 H HB2 . LEU A 1 32 ? 3.830 -7.587 12.980 1.00 9.14 ? 32 LEU A HB2 1 ATOM 457 H HB3 . LEU A 1 32 ? 3.060 -6.380 13.659 1.00 9.14 ? 32 LEU A HB3 1 ATOM 458 H HG . LEU A 1 32 ? 3.198 -9.016 14.637 1.00 9.50 ? 32 LEU A HG 1 ATOM 459 H HD11 . LEU A 1 32 ? 4.208 -8.048 16.491 1.00 10.85 ? 32 LEU A HD11 1 ATOM 460 H HD12 . LEU A 1 32 ? 5.033 -7.737 15.169 1.00 10.85 ? 32 LEU A HD12 1 ATOM 461 H HD13 . LEU A 1 32 ? 4.092 -6.622 15.800 1.00 10.85 ? 32 LEU A HD13 1 ATOM 462 H HD21 . LEU A 1 32 ? 1.575 -7.009 15.758 1.00 10.87 ? 32 LEU A HD21 1 ATOM 463 H HD22 . LEU A 1 32 ? 1.026 -8.317 15.042 1.00 10.87 ? 32 LEU A HD22 1 ATOM 464 H HD23 . LEU A 1 32 ? 1.822 -8.436 16.412 1.00 10.87 ? 32 LEU A HD23 1 ATOM 465 N N . ASP A 1 33 ? 1.484 -5.592 11.330 1.00 7.46 ? 33 ASP A N 1 ATOM 466 C CA . ASP A 1 33 ? 1.591 -4.645 10.228 1.00 7.24 ? 33 ASP A CA 1 ATOM 467 C C . ASP A 1 33 ? 2.911 -3.890 10.377 1.00 7.43 ? 33 ASP A C 1 ATOM 468 O O . ASP A 1 33 ? 3.061 -3.049 11.269 1.00 8.12 ? 33 ASP A O 1 ATOM 469 C CB . ASP A 1 33 ? 0.375 -3.707 10.314 1.00 8.35 ? 33 ASP A CB 1 ATOM 470 C CG . ASP A 1 33 ? 0.261 -2.729 9.173 1.00 8.77 ? 33 ASP A CG 1 ATOM 471 O OD1 . ASP A 1 33 ? 1.171 -2.615 8.338 1.00 9.60 ? 33 ASP A OD1 1 ATOM 472 O OD2 . ASP A 1 33 ? -0.797 -2.050 9.146 1.00 9.87 ? 33 ASP A OD2 1 ATOM 473 H H . ASP A 1 33 ? 1.110 -5.255 12.028 1.00 8.95 ? 33 ASP A H 1 ATOM 474 H HA . ASP A 1 33 ? 1.580 -5.111 9.377 1.00 8.69 ? 33 ASP A HA 1 ATOM 475 H HB2 . ASP A 1 33 ? -0.432 -4.245 10.322 1.00 10.02 ? 33 ASP A HB2 1 ATOM 476 H HB3 . ASP A 1 33 ? 0.434 -3.196 11.136 1.00 10.02 ? 33 ASP A HB3 1 ATOM 477 N N . PHE A 1 34 ? 3.870 -4.218 9.514 1.00 7.22 ? 34 PHE A N 1 ATOM 478 C CA . PHE A 1 34 ? 5.180 -3.574 9.538 1.00 7.97 ? 34 PHE A CA 1 ATOM 479 C C . PHE A 1 34 ? 5.030 -2.168 8.963 1.00 7.57 ? 34 PHE A C 1 ATOM 480 O O . PHE A 1 34 ? 4.583 -1.989 7.823 1.00 8.06 ? 34 PHE A O 1 ATOM 481 C CB . PHE A 1 34 ? 6.199 -4.371 8.720 1.00 7.56 ? 34 PHE A CB 1 ATOM 482 C CG . PHE A 1 34 ? 6.739 -5.610 9.406 1.00 7.18 ? 34 PHE A CG 1 ATOM 483 C CD1 . PHE A 1 34 ? 6.049 -6.270 10.416 1.00 8.31 ? 34 PHE A CD1 1 ATOM 484 C CD2 . PHE A 1 34 ? 7.973 -6.102 9.015 1.00 8.06 ? 34 PHE A CD2 1 ATOM 485 C CE1 . PHE A 1 34 ? 6.585 -7.401 11.012 1.00 8.43 ? 34 PHE A CE1 1 ATOM 486 C CE2 . PHE A 1 34 ? 8.503 -7.236 9.591 1.00 8.88 ? 34 PHE A CE2 1 ATOM 487 C CZ . PHE A 1 34 ? 7.815 -7.885 10.599 1.00 8.69 ? 34 PHE A CZ 1 ATOM 488 H H . PHE A 1 34 ? 3.785 -4.814 8.900 1.00 8.66 ? 34 PHE A H 1 ATOM 489 H HA . PHE A 1 34 ? 5.496 -3.506 10.452 1.00 9.56 ? 34 PHE A HA 1 ATOM 490 H HB2 . PHE A 1 34 ? 5.778 -4.654 7.893 1.00 9.07 ? 34 PHE A HB2 1 ATOM 491 H HB3 . PHE A 1 34 ? 6.953 -3.795 8.520 1.00 9.07 ? 34 PHE A HB3 1 ATOM 492 H HD1 . PHE A 1 34 ? 5.221 -5.950 10.695 1.00 9.97 ? 34 PHE A HD1 1 ATOM 493 H HD2 . PHE A 1 34 ? 8.441 -5.674 8.335 1.00 9.67 ? 34 PHE A HD2 1 ATOM 494 H HE1 . PHE A 1 34 ? 6.116 -7.838 11.686 1.00 10.12 ? 34 PHE A HE1 1 ATOM 495 H HE2 . PHE A 1 34 ? 9.333 -7.552 9.317 1.00 10.66 ? 34 PHE A HE2 1 ATOM 496 H HZ . PHE A 1 34 ? 8.176 -8.643 10.997 1.00 10.43 ? 34 PHE A HZ 1 ATOM 497 N N . ASP A 1 35 ? 5.390 -1.182 9.769 1.00 7.70 ? 35 ASP A N 1 ATOM 498 C CA . ASP A 1 35 ? 5.062 0.210 9.475 1.00 7.78 ? 35 ASP A CA 1 ATOM 499 C C . ASP A 1 35 ? 6.307 1.091 9.510 1.00 7.25 ? 35 ASP A C 1 ATOM 500 O O . ASP A 1 35 ? 6.751 1.492 10.582 1.00 7.78 ? 35 ASP A O 1 ATOM 501 C CB . ASP A 1 35 ? 4.057 0.705 10.501 1.00 7.78 ? 35 ASP A CB 1 ATOM 502 C CG . ASP A 1 35 ? 3.627 2.137 10.255 1.00 8.74 ? 35 ASP A CG 1 ATOM 503 O OD1 . ASP A 1 35 ? 3.922 2.661 9.163 1.00 9.99 ? 35 ASP A OD1 1 ATOM 504 O OD2 . ASP A 1 35 ? 2.969 2.715 11.148 1.00 10.62 ? 35 ASP A OD2 1 ATOM 505 H H . ASP A 1 35 ? 5.830 -1.290 10.500 1.00 9.24 ? 35 ASP A H 1 ATOM 506 H HA . ASP A 1 35 ? 4.662 0.272 8.593 1.00 9.34 ? 35 ASP A HA 1 ATOM 507 H HB2 . ASP A 1 35 ? 3.267 0.144 10.467 1.00 9.34 ? 35 ASP A HB2 1 ATOM 508 H HB3 . ASP A 1 35 ? 4.458 0.660 11.383 1.00 9.34 ? 35 ASP A HB3 1 ATOM 509 N N . THR A 1 36 ? 6.851 1.414 8.342 1.00 7.57 ? 36 THR A N 1 ATOM 510 C CA . THR A 1 36 ? 8.022 2.297 8.275 1.00 7.98 ? 36 THR A CA 1 ATOM 511 C C . THR A 1 36 ? 7.701 3.767 8.592 1.00 8.70 ? 36 THR A C 1 ATOM 512 O O . THR A 1 36 ? 8.602 4.609 8.584 1.00 9.02 ? 36 THR A O 1 ATOM 513 C CB . THR A 1 36 ? 8.767 2.179 6.935 1.00 7.90 ? 36 THR A CB 1 ATOM 514 O OG1 . THR A 1 36 ? 7.908 2.596 5.870 1.00 7.49 ? 36 THR A OG1 1 ATOM 515 C CG2 . THR A 1 36 ? 9.228 0.770 6.668 1.00 9.02 ? 36 THR A CG2 1 ATOM 516 H H . THR A 1 36 ? 6.567 1.142 7.577 1.00 9.08 ? 36 THR A H 1 ATOM 517 H HA . THR A 1 36 ? 8.643 2.001 8.958 1.00 9.57 ? 36 THR A HA 1 ATOM 518 H HB . THR A 1 36 ? 9.549 2.754 6.955 1.00 9.48 ? 36 THR A HB 1 ATOM 519 H HG1 . THR A 1 36 ? 8.310 2.534 5.136 1.00 8.99 ? 36 THR A HG1 1 ATOM 520 H HG21 . THR A 1 36 ? 8.465 0.172 6.639 1.00 10.82 ? 36 THR A HG21 1 ATOM 521 H HG22 . THR A 1 36 ? 9.694 0.729 5.818 1.00 10.82 ? 36 THR A HG22 1 ATOM 522 H HG23 . THR A 1 36 ? 9.830 0.480 7.372 1.00 10.82 ? 36 THR A HG23 1 ATOM 523 N N . GLY A 1 37 ? 6.434 4.067 8.884 1.00 7.87 ? 37 GLY A N 1 ATOM 524 C CA . GLY A 1 37 ? 5.999 5.379 9.308 1.00 8.80 ? 37 GLY A CA 1 ATOM 525 C C . GLY A 1 37 ? 5.742 5.546 10.794 1.00 8.94 ? 37 GLY A C 1 ATOM 526 O O . GLY A 1 37 ? 5.261 6.600 11.212 1.00 10.95 ? 37 GLY A O 1 ATOM 527 H H . GLY A 1 37 ? 5.791 3.497 8.840 1.00 9.44 ? 37 GLY A H 1 ATOM 528 H HA2 . GLY A 1 37 ? 6.672 6.027 9.050 1.00 10.56 ? 37 GLY A HA2 1 ATOM 529 H HA3 . GLY A 1 37 ? 5.179 5.600 8.840 1.00 10.56 ? 37 GLY A HA3 1 ATOM 530 N N . SER A 1 38 ? 6.059 4.538 11.605 1.00 7.61 ? 38 SER A N 1 ATOM 531 C CA . SER A 1 38 ? 5.964 4.691 13.054 1.00 8.56 ? 38 SER A CA 1 ATOM 532 C C . SER A 1 38 ? 7.001 3.814 13.725 1.00 7.77 ? 38 SER A C 1 ATOM 533 O O . SER A 1 38 ? 7.702 3.058 13.055 1.00 8.07 ? 38 SER A O 1 ATOM 534 C CB . SER A 1 38 ? 4.556 4.358 13.551 1.00 9.27 ? 38 SER A CB 1 ATOM 535 O OG . SER A 1 38 ? 4.248 2.986 13.376 1.00 9.75 ? 38 SER A OG 1 ATOM 536 H H . SER A 1 38 ? 6.330 3.764 11.344 1.00 9.14 ? 38 SER A H 1 ATOM 537 H HA . SER A 1 38 ? 6.154 5.613 13.287 1.00 10.27 ? 38 SER A HA 1 ATOM 538 H HB2 . SER A 1 38 ? 4.499 4.574 14.495 1.00 11.13 ? 38 SER A HB2 1 ATOM 539 H HB3 . SER A 1 38 ? 3.915 4.889 13.053 1.00 11.13 ? 38 SER A HB3 1 ATOM 540 H HG . SER A 1 38 ? 4.794 2.512 13.804 1.00 11.69 ? 38 SER A HG 1 ATOM 541 N N . SER A 1 39 ? 7.092 3.910 15.050 1.00 7.74 ? 39 SER A N 1 ATOM 542 C CA . SER A 1 39 ? 8.242 3.367 15.766 1.00 8.03 ? 39 SER A CA 1 ATOM 543 C C . SER A 1 39 ? 7.900 2.618 17.046 1.00 8.26 ? 39 SER A C 1 ATOM 544 O O . SER A 1 39 ? 8.760 2.462 17.914 1.00 9.14 ? 39 SER A O 1 ATOM 545 C CB . SER A 1 39 ? 9.252 4.487 16.042 1.00 9.02 ? 39 SER A CB 1 ATOM 546 O OG . SER A 1 39 ? 9.542 5.132 14.824 1.00 9.99 ? 39 SER A OG 1 ATOM 547 H H . SER A 1 39 ? 6.504 4.283 15.555 1.00 9.28 ? 39 SER A H 1 ATOM 548 H HA . SER A 1 39 ? 8.681 2.731 15.179 1.00 9.64 ? 39 SER A HA 1 ATOM 549 H HB2 . SER A 1 39 ? 8.865 5.125 16.662 1.00 10.83 ? 39 SER A HB2 1 ATOM 550 H HB3 . SER A 1 39 ? 10.065 4.106 16.409 1.00 10.83 ? 39 SER A HB3 1 ATOM 551 H HG . SER A 1 39 ? 8.840 5.456 14.496 1.00 11.99 ? 39 SER A HG 1 ATOM 552 N N . ASP A 1 40 ? 6.659 2.138 17.136 1.00 9.29 ? 40 ASP A N 1 ATOM 553 C CA . ASP A 1 40 ? 6.189 1.352 18.270 1.00 8.11 ? 40 ASP A CA 1 ATOM 554 C C . ASP A 1 40 ? 5.856 -0.057 17.777 1.00 8.70 ? 40 ASP A C 1 ATOM 555 O O . ASP A 1 40 ? 5.209 -0.231 16.733 1.00 9.08 ? 40 ASP A O 1 ATOM 556 C CB . ASP A 1 40 ? 4.937 1.976 18.914 1.00 9.05 ? 40 ASP A CB 1 ATOM 557 C CG . ASP A 1 40 ? 5.236 3.240 19.708 1.00 9.51 ? 40 ASP A CG 1 ATOM 558 O OD1 . ASP A 1 40 ? 5.905 4.160 19.191 1.00 9.88 ? 40 ASP A OD1 1 ATOM 559 O OD2 . ASP A 1 40 ? 4.768 3.329 20.860 1.00 10.67 ? 40 ASP A OD2 1 ATOM 560 H H . ASP A 1 40 ? 6.057 2.259 16.534 1.00 11.15 ? 40 ASP A H 1 ATOM 561 H HA . ASP A 1 40 ? 6.888 1.291 18.940 1.00 9.73 ? 40 ASP A HA 1 ATOM 562 H HB2 . ASP A 1 40 ? 4.305 2.205 18.215 1.00 10.86 ? 40 ASP A HB2 1 ATOM 563 H HB3 . ASP A 1 40 ? 4.540 1.330 19.519 1.00 10.86 ? 40 ASP A HB3 1 ATOM 564 N N . LEU A 1 41 ? 6.264 -1.059 18.549 1.00 8.46 ? 41 LEU A N 1 ATOM 565 C CA . LEU A 1 41 ? 5.855 -2.443 18.336 1.00 8.20 ? 41 LEU A CA 1 ATOM 566 C C . LEU A 1 41 ? 4.805 -2.676 19.406 1.00 8.07 ? 41 LEU A C 1 ATOM 567 O O . LEU A 1 41 ? 5.127 -2.795 20.588 1.00 8.59 ? 41 LEU A O 1 ATOM 568 C CB . LEU A 1 41 ? 7.036 -3.409 18.500 1.00 8.10 ? 41 LEU A CB 1 ATOM 569 C CG . LEU A 1 41 ? 6.824 -4.855 18.025 1.00 8.70 ? 41 LEU A CG 1 ATOM 570 C CD1 . LEU A 1 41 ? 8.121 -5.606 18.172 1.00 9.82 ? 41 LEU A CD1 1 ATOM 571 C CD2 . LEU A 1 41 ? 5.700 -5.582 18.768 1.00 8.93 ? 41 LEU A CD2 1 ATOM 572 H H . LEU A 1 41 ? 6.793 -0.959 19.220 1.00 10.15 ? 41 LEU A H 1 ATOM 573 H HA . LEU A 1 41 ? 5.458 -2.553 17.458 1.00 9.84 ? 41 LEU A HA 1 ATOM 574 H HB2 . LEU A 1 41 ? 7.789 -3.052 18.003 1.00 9.72 ? 41 LEU A HB2 1 ATOM 575 H HB3 . LEU A 1 41 ? 7.266 -3.448 19.442 1.00 9.72 ? 41 LEU A HB3 1 ATOM 576 H HG . LEU A 1 41 ? 6.595 -4.843 17.082 1.00 10.44 ? 41 LEU A HG 1 ATOM 577 H HD11 . LEU A 1 41 ? 8.386 -5.597 19.105 1.00 11.78 ? 41 LEU A HD11 1 ATOM 578 H HD12 . LEU A 1 41 ? 7.992 -6.520 17.874 1.00 11.78 ? 41 LEU A HD12 1 ATOM 579 H HD13 . LEU A 1 41 ? 8.800 -5.173 17.631 1.00 11.78 ? 41 LEU A HD13 1 ATOM 580 H HD21 . LEU A 1 41 ? 5.623 -6.483 18.418 1.00 10.72 ? 41 LEU A HD21 1 ATOM 581 H HD22 . LEU A 1 41 ? 5.914 -5.610 19.713 1.00 10.72 ? 41 LEU A HD22 1 ATOM 582 H HD23 . LEU A 1 41 ? 4.869 -5.101 18.630 1.00 10.72 ? 41 LEU A HD23 1 ATOM 583 N N . TRP A 1 42 ? 3.545 -2.707 18.987 1.00 8.08 ? 42 TRP A N 1 ATOM 584 C CA . TRP A 1 42 ? 2.433 -2.914 19.914 1.00 8.23 ? 42 TRP A CA 1 ATOM 585 C C . TRP A 1 42 ? 1.544 -4.041 19.438 1.00 8.41 ? 42 TRP A C 1 ATOM 586 O O . TRP A 1 42 ? 1.442 -4.298 18.235 1.00 8.65 ? 42 TRP A O 1 ATOM 587 C CB . TRP A 1 42 ? 1.642 -1.617 20.168 1.00 8.53 ? 42 TRP A CB 1 ATOM 588 C CG . TRP A 1 42 ? 0.706 -1.162 19.076 1.00 8.62 ? 42 TRP A CG 1 ATOM 589 C CD1 . TRP A 1 42 ? 0.940 -0.178 18.151 1.00 9.58 ? 42 TRP A CD1 1 ATOM 590 C CD2 . TRP A 1 42 ? -0.632 -1.635 18.822 1.00 9.70 ? 42 TRP A CD2 1 ATOM 591 N NE1 . TRP A 1 42 ? -0.156 -0.029 17.339 1.00 10.31 ? 42 TRP A NE1 1 ATOM 592 C CE2 . TRP A 1 42 ? -1.128 -0.913 17.725 1.00 10.11 ? 42 TRP A CE2 1 ATOM 593 C CE3 . TRP A 1 42 ? -1.446 -2.606 19.411 1.00 10.17 ? 42 TRP A CE3 1 ATOM 594 C CZ2 . TRP A 1 42 ? -2.416 -1.118 17.213 1.00 10.73 ? 42 TRP A CZ2 1 ATOM 595 C CZ3 . TRP A 1 42 ? -2.715 -2.816 18.895 1.00 10.70 ? 42 TRP A CZ3 1 ATOM 596 C CH2 . TRP A 1 42 ? -3.180 -2.077 17.802 1.00 11.00 ? 42 TRP A CH2 1 ATOM 597 H H . TRP A 1 42 ? 3.304 -2.611 18.167 1.00 9.69 ? 42 TRP A H 1 ATOM 598 H HA . TRP A 1 42 ? 2.804 -3.189 20.767 1.00 9.88 ? 42 TRP A HA 1 ATOM 599 H HB2 . TRP A 1 42 ? 1.108 -1.741 20.969 1.00 10.24 ? 42 TRP A HB2 1 ATOM 600 H HB3 . TRP A 1 42 ? 2.278 -0.900 20.317 1.00 10.24 ? 42 TRP A HB3 1 ATOM 601 H HD1 . TRP A 1 42 ? 1.727 0.312 18.080 1.00 11.49 ? 42 TRP A HD1 1 ATOM 602 H HE1 . TRP A 1 42 ? -0.221 0.528 16.687 1.00 12.37 ? 42 TRP A HE1 1 ATOM 603 H HE3 . TRP A 1 42 ? -1.142 -3.102 20.137 1.00 12.21 ? 42 TRP A HE3 1 ATOM 604 H HZ2 . TRP A 1 42 ? -2.728 -0.634 16.483 1.00 12.88 ? 42 TRP A HZ2 1 ATOM 605 H HZ3 . TRP A 1 42 ? -3.264 -3.461 19.279 1.00 12.84 ? 42 TRP A HZ3 1 ATOM 606 H HH2 . TRP A 1 42 ? -4.035 -2.239 17.476 1.00 13.20 ? 42 TRP A HH2 1 ATOM 607 N N . VAL A 1 43 ? 0.938 -4.720 20.406 1.00 8.37 ? 43 VAL A N 1 ATOM 608 C CA . VAL A 1 43 ? 0.131 -5.898 20.134 1.00 8.22 ? 43 VAL A CA 1 ATOM 609 C C . VAL A 1 43 ? -1.169 -5.912 20.913 1.00 9.07 ? 43 VAL A C 1 ATOM 610 O O . VAL A 1 43 ? -1.248 -5.436 22.045 1.00 10.02 ? 43 VAL A O 1 ATOM 611 C CB . VAL A 1 43 ? 0.916 -7.189 20.454 1.00 9.21 ? 43 VAL A CB 1 ATOM 612 C CG1 . VAL A 1 43 ? 2.136 -7.300 19.543 1.00 10.22 ? 43 VAL A CG1 1 ATOM 613 C CG2 . VAL A 1 43 ? 1.350 -7.232 21.910 1.00 9.05 ? 43 VAL A CG2 1 ATOM 614 H H . VAL A 1 43 ? 0.981 -4.514 21.240 1.00 10.05 ? 43 VAL A H 1 ATOM 615 H HA . VAL A 1 43 ? -0.091 -5.912 19.190 1.00 9.87 ? 43 VAL A HA 1 ATOM 616 H HB . VAL A 1 43 ? 0.345 -7.955 20.287 1.00 11.05 ? 43 VAL A HB 1 ATOM 617 H HG11 . VAL A 1 43 ? 2.616 -8.116 19.758 1.00 12.26 ? 43 VAL A HG11 1 ATOM 618 H HG12 . VAL A 1 43 ? 1.839 -7.324 18.620 1.00 12.26 ? 43 VAL A HG12 1 ATOM 619 H HG13 . VAL A 1 43 ? 2.708 -6.531 19.687 1.00 12.26 ? 43 VAL A HG13 1 ATOM 620 H HG21 . VAL A 1 43 ? 1.838 -8.055 22.069 1.00 10.86 ? 43 VAL A HG21 1 ATOM 621 H HG22 . VAL A 1 43 ? 1.919 -6.469 22.092 1.00 10.86 ? 43 VAL A HG22 1 ATOM 622 H HG23 . VAL A 1 43 ? 0.562 -7.200 22.475 1.00 10.86 ? 43 VAL A HG23 1 ATOM 623 N N . PHE A 1 44 ? -2.187 -6.485 20.287 1.00 8.86 ? 44 PHE A N 1 ATOM 624 C CA . PHE A 1 44 ? -3.348 -6.964 21.022 1.00 8.89 ? 44 PHE A CA 1 ATOM 625 C C . PHE A 1 44 ? -2.844 -7.968 22.058 1.00 9.59 ? 44 PHE A C 1 ATOM 626 O O . PHE A 1 44 ? -1.914 -8.760 21.784 1.00 9.89 ? 44 PHE A O 1 ATOM 627 C CB . PHE A 1 44 ? -4.340 -7.646 20.083 1.00 10.10 ? 44 PHE A CB 1 ATOM 628 C CG . PHE A 1 44 ? -5.239 -6.695 19.334 1.00 10.25 ? 44 PHE A CG 1 ATOM 629 C CD1 . PHE A 1 44 ? -4.790 -6.009 18.218 1.00 10.51 ? 44 PHE A CD1 1 ATOM 630 C CD2 . PHE A 1 44 ? -6.558 -6.526 19.725 1.00 11.09 ? 44 PHE A CD2 1 ATOM 631 C CE1 . PHE A 1 44 ? -5.632 -5.153 17.532 1.00 10.74 ? 44 PHE A CE1 1 ATOM 632 C CE2 . PHE A 1 44 ? -7.389 -5.663 19.049 1.00 11.60 ? 44 PHE A CE2 1 ATOM 633 C CZ . PHE A 1 44 ? -6.929 -4.981 17.950 1.00 10.98 ? 44 PHE A CZ 1 ATOM 634 H H . PHE A 1 44 ? -2.231 -6.610 19.437 1.00 10.63 ? 44 PHE A H 1 ATOM 635 H HA . PHE A 1 44 ? -3.788 -6.228 21.476 1.00 10.67 ? 44 PHE A HA 1 ATOM 636 H HB2 . PHE A 1 44 ? -3.843 -8.161 19.428 1.00 12.12 ? 44 PHE A HB2 1 ATOM 637 H HB3 . PHE A 1 44 ? -4.905 -8.238 20.604 1.00 12.12 ? 44 PHE A HB3 1 ATOM 638 H HD1 . PHE A 1 44 ? -3.912 -6.117 17.933 1.00 12.61 ? 44 PHE A HD1 1 ATOM 639 H HD2 . PHE A 1 44 ? -6.877 -6.979 20.472 1.00 13.30 ? 44 PHE A HD2 1 ATOM 640 H HE1 . PHE A 1 44 ? -5.318 -4.688 16.790 1.00 12.88 ? 44 PHE A HE1 1 ATOM 641 H HE2 . PHE A 1 44 ? -8.270 -5.553 19.327 1.00 13.92 ? 44 PHE A HE2 1 ATOM 642 H HZ . PHE A 1 44 ? -7.495 -4.406 17.489 1.00 13.17 ? 44 PHE A HZ 1 ATOM 643 N N . SER A 1 45 ? -3.448 -7.947 23.243 1.00 10.22 ? 45 SER A N 1 ATOM 644 C CA . SER A 1 45 ? -2.938 -8.750 24.343 1.00 10.72 ? 45 SER A CA 1 ATOM 645 C C . SER A 1 45 ? -4.036 -9.211 25.284 1.00 11.22 ? 45 SER A C 1 ATOM 646 O O . SER A 1 45 ? -5.201 -8.822 25.167 1.00 11.77 ? 45 SER A O 1 ATOM 647 C CB . SER A 1 45 ? -1.907 -7.954 25.150 1.00 12.60 ? 45 SER A CB 1 ATOM 648 O OG . SER A 1 45 ? -2.563 -6.981 25.919 1.00 13.74 ? 45 SER A OG 1 ATOM 649 H H . SER A 1 45 ? -4.146 -7.482 23.433 1.00 12.27 ? 45 SER A H 1 ATOM 650 H HA . SER A 1 45 ? -2.499 -9.537 23.984 1.00 12.87 ? 45 SER A HA 1 ATOM 651 H HB2 . SER A 1 45 ? -1.427 -8.557 25.738 1.00 15.12 ? 45 SER A HB2 1 ATOM 652 H HB3 . SER A 1 45 ? -1.291 -7.519 24.540 1.00 15.12 ? 45 SER A HB3 1 ATOM 653 H HG . SER A 1 45 ? -2.987 -6.456 25.418 1.00 16.48 ? 45 SER A HG 1 ATOM 654 N N . SER A 1 46 ? -3.630 -10.011 26.259 1.00 11.87 ? 46 SER A N 1 ATOM 655 C CA . SER A 1 46 ? -4.521 -10.420 27.335 1.00 13.26 ? 46 SER A CA 1 ATOM 656 C C . SER A 1 46 ? -4.983 -9.244 28.191 1.00 14.26 ? 46 SER A C 1 ATOM 657 O O . SER A 1 46 ? -5.897 -9.391 28.990 1.00 14.95 ? 46 SER A O 1 ATOM 658 C CB . SER A 1 46 ? -3.827 -11.459 28.212 1.00 15.13 ? 46 SER A CB 1 ATOM 659 O OG . SER A 1 46 ? -2.613 -10.948 28.717 1.00 15.64 ? 46 SER A OG 1 ATOM 660 H H . SER A 1 46 ? -2.836 -10.335 26.321 1.00 14.24 ? 46 SER A H 1 ATOM 661 H HA . SER A 1 46 ? -5.309 -10.834 26.949 1.00 15.91 ? 46 SER A HA 1 ATOM 662 H HB2 . SER A 1 46 ? -4.408 -11.687 28.954 1.00 18.16 ? 46 SER A HB2 1 ATOM 663 H HB3 . SER A 1 46 ? -3.641 -12.249 27.680 1.00 18.16 ? 46 SER A HB3 1 ATOM 664 H HG . SER A 1 46 ? -2.237 -11.525 29.198 1.00 18.76 ? 46 SER A HG 1 ATOM 665 N N . GLU A 1 47 ? -4.349 -8.086 28.022 1.00 12.82 ? 47 GLU A N 1 ATOM 666 C CA . GLU A 1 47 ? -4.708 -6.867 28.747 1.00 12.74 ? 47 GLU A CA 1 ATOM 667 C C . GLU A 1 47 ? -5.672 -5.961 27.982 1.00 12.93 ? 47 GLU A C 1 ATOM 668 O O . GLU A 1 47 ? -6.205 -4.999 28.548 1.00 14.50 ? 47 GLU A O 1 ATOM 669 C CB . GLU A 1 47 ? -3.443 -6.077 29.096 1.00 13.67 ? 47 GLU A CB 1 ATOM 670 C CG . GLU A 1 47 ? -2.447 -6.886 29.912 1.00 15.05 ? 47 GLU A CG 1 ATOM 671 C CD . GLU A 1 47 ? -1.193 -6.112 30.260 1.00 15.65 ? 47 GLU A CD 1 ATOM 672 O OE1 . GLU A 1 47 ? -0.788 -5.238 29.468 1.00 15.74 ? 47 GLU A OE1 1 ATOM 673 O OE2 . GLU A 1 47 ? -0.604 -6.387 31.322 1.00 17.00 ? 47 GLU A OE2 1 ATOM 674 H H . GLU A 1 47 ? -3.692 -7.978 27.478 1.00 15.39 ? 47 GLU A H 1 ATOM 675 H HA . GLU A 1 47 ? -5.138 -7.117 29.580 1.00 15.29 ? 47 GLU A HA 1 ATOM 676 H HB2 . GLU A 1 47 ? -3.006 -5.803 28.275 1.00 16.40 ? 47 GLU A HB2 1 ATOM 677 H HB3 . GLU A 1 47 ? -3.692 -5.296 29.616 1.00 16.40 ? 47 GLU A HB3 1 ATOM 678 H HG2 . GLU A 1 47 ? -2.869 -7.160 30.741 1.00 18.06 ? 47 GLU A HG2 1 ATOM 679 H HG3 . GLU A 1 47 ? -2.184 -7.667 29.401 1.00 18.06 ? 47 GLU A HG3 1 ATOM 680 N N . THR A 1 48 ? -5.901 -6.265 26.707 1.00 12.18 ? 48 THR A N 1 ATOM 681 C CA . THR A 1 48 ? -6.763 -5.418 25.892 1.00 12.06 ? 48 THR A CA 1 ATOM 682 C C . THR A 1 48 ? -8.215 -5.547 26.333 1.00 13.52 ? 48 THR A C 1 ATOM 683 O O . THR A 1 48 ? -8.734 -6.658 26.460 1.00 15.63 ? 48 THR A O 1 ATOM 684 C CB . THR A 1 48 ? -6.655 -5.748 24.401 1.00 12.31 ? 48 THR A CB 1 ATOM 685 O OG1 . THR A 1 48 ? -5.272 -5.813 24.032 1.00 11.28 ? 48 THR A OG1 1 ATOM 686 C CG2 . THR A 1 48 ? -7.372 -4.682 23.557 1.00 13.80 ? 48 THR A CG2 1 ATOM 687 H H . THR A 1 48 ? -5.575 -6.946 26.295 1.00 14.62 ? 48 THR A H 1 ATOM 688 H HA . THR A 1 48 ? -6.497 -4.493 26.012 1.00 14.47 ? 48 THR A HA 1 ATOM 689 H HB . THR A 1 48 ? -7.074 -6.606 24.230 1.00 14.78 ? 48 THR A HB 1 ATOM 690 H HG1 . THR A 1 48 ? -5.201 -5.994 23.214 1.00 13.54 ? 48 THR A HG1 1 ATOM 691 H HG21 . THR A 1 48 ? -8.311 -4.645 23.799 1.00 16.56 ? 48 THR A HG21 1 ATOM 692 H HG22 . THR A 1 48 ? -6.972 -3.812 23.712 1.00 16.56 ? 48 THR A HG22 1 ATOM 693 H HG23 . THR A 1 48 ? -7.298 -4.900 22.615 1.00 16.56 ? 48 THR A HG23 1 ATOM 694 N N . THR A 1 49 ? -8.847 -4.401 26.580 1.00 14.69 ? 49 THR A N 1 ATOM 695 C CA . THR A 1 49 ? -10.268 -4.330 26.902 1.00 17.02 ? 49 THR A CA 1 ATOM 696 C C . THR A 1 49 ? -11.049 -5.320 26.047 1.00 16.58 ? 49 THR A C 1 ATOM 697 O O . THR A 1 49 ? -10.995 -5.253 24.823 1.00 15.92 ? 49 THR A O 1 ATOM 698 C CB . THR A 1 49 ? -10.809 -2.913 26.634 1.00 19.38 ? 49 THR A CB 1 ATOM 699 O OG1 . THR A 1 49 ? -10.082 -1.957 27.415 1.00 21.24 ? 49 THR A OG1 1 ATOM 700 C CG2 . THR A 1 49 ? -12.271 -2.816 26.990 1.00 19.57 ? 49 THR A CG2 1 ATOM 701 H H . THR A 1 49 ? -8.461 -3.632 26.566 1.00 17.63 ? 49 THR A H 1 ATOM 702 H HA . THR A 1 49 ? -10.405 -4.547 27.838 1.00 20.42 ? 49 THR A HA 1 ATOM 703 H HB . THR A 1 49 ? -10.709 -2.702 25.692 1.00 23.25 ? 49 THR A HB 1 ATOM 704 H HG1 . THR A 1 49 ? -10.165 -2.131 28.232 1.00 25.49 ? 49 THR A HG1 1 ATOM 705 H HG21 . THR A 1 49 ? -12.596 -1.919 26.815 1.00 23.48 ? 49 THR A HG21 1 ATOM 706 H HG22 . THR A 1 49 ? -12.784 -3.446 26.459 1.00 23.48 ? 49 THR A HG22 1 ATOM 707 H HG23 . THR A 1 49 ? -12.397 -3.020 27.930 1.00 23.48 ? 49 THR A HG23 1 ATOM 708 N N . ALA A 1 50 ? -11.790 -6.220 26.691 1.00 18.01 ? 50 ALA A N 1 ATOM 709 C CA . ALA A 1 50 ? -12.362 -7.374 25.998 1.00 19.12 ? 50 ALA A CA 1 ATOM 710 C C . ALA A 1 50 ? -13.281 -6.976 24.844 1.00 18.99 ? 50 ALA A C 1 ATOM 711 O O . ALA A 1 50 ? -13.248 -7.587 23.775 1.00 18.88 ? 50 ALA A O 1 ATOM 712 C CB . ALA A 1 50 ? -13.103 -8.265 26.981 1.00 20.97 ? 50 ALA A CB 1 ATOM 713 H H . ALA A 1 50 ? -11.977 -6.186 27.530 1.00 21.61 ? 50 ALA A H 1 ATOM 714 H HA . ALA A 1 50 ? -11.635 -7.896 25.623 1.00 22.95 ? 50 ALA A HA 1 ATOM 715 H HB1 . ALA A 1 50 ? -12.481 -8.574 27.659 1.00 25.17 ? 50 ALA A HB1 1 ATOM 716 H HB2 . ALA A 1 50 ? -13.816 -7.754 27.395 1.00 25.17 ? 50 ALA A HB2 1 ATOM 717 H HB3 . ALA A 1 50 ? -13.474 -9.023 26.503 1.00 25.17 ? 50 ALA A HB3 1 ATOM 718 N N . SER A 1 51 ? -14.091 -5.945 25.062 1.00 19.30 ? 51 SER A N 1 ATOM 719 C CA . SER A 1 51 ? -15.022 -5.475 24.041 1.00 20.13 ? 51 SER A CA 1 ATOM 720 C C . SER A 1 51 ? -14.328 -4.866 22.821 1.00 19.66 ? 51 SER A C 1 ATOM 721 O O . SER A 1 51 ? -14.977 -4.588 21.812 1.00 20.00 ? 51 SER A O 1 ATOM 722 C CB . SER A 1 51 ? -15.979 -4.440 24.632 1.00 20.83 ? 51 SER A CB 1 ATOM 723 O OG . SER A 1 51 ? -15.283 -3.274 25.047 1.00 22.42 ? 51 SER A OG 1 ATOM 724 H H . SER A 1 51 ? -14.121 -5.498 25.796 1.00 23.16 ? 51 SER A H 1 ATOM 725 H HA . SER A 1 51 ? -15.552 -6.227 23.734 1.00 24.15 ? 51 SER A HA 1 ATOM 726 H HB2 . SER A 1 51 ? -16.632 -4.194 23.958 1.00 24.99 ? 51 SER A HB2 1 ATOM 727 H HB3 . SER A 1 51 ? -16.427 -4.829 25.400 1.00 24.99 ? 51 SER A HB3 1 ATOM 728 H HG . SER A 1 51 ? -14.891 -2.926 24.391 1.00 26.90 ? 51 SER A HG 1 ATOM 729 N N . GLU A 1 52 ? -13.018 -4.652 22.917 1.00 18.08 ? 52 GLU A N 1 ATOM 730 C CA . GLU A 1 52 ? -12.245 -4.066 21.822 1.00 17.42 ? 52 GLU A CA 1 ATOM 731 C C . GLU A 1 52 ? -11.442 -5.109 21.050 1.00 15.85 ? 52 GLU A C 1 ATOM 732 O O . GLU A 1 52 ? -10.693 -4.773 20.128 1.00 15.57 ? 52 GLU A O 1 ATOM 733 C CB . GLU A 1 52 ? -11.336 -2.963 22.367 1.00 17.67 ? 52 GLU A CB 1 ATOM 734 C CG . GLU A 1 52 ? -12.158 -1.799 22.942 1.00 18.22 ? 52 GLU A CG 1 ATOM 735 C CD . GLU A 1 52 ? -11.335 -0.647 23.490 1.00 19.35 ? 52 GLU A CD 1 ATOM 736 O OE1 . GLU A 1 52 ? -10.098 -0.775 23.627 1.00 18.47 ? 52 GLU A OE1 1 ATOM 737 O OE2 . GLU A 1 52 ? -11.957 0.399 23.795 1.00 21.25 ? 52 GLU A OE2 1 ATOM 738 H H . GLU A 1 52 ? -12.549 -4.840 23.613 1.00 21.69 ? 52 GLU A H 1 ATOM 739 H HA . GLU A 1 52 ? -12.862 -3.654 21.197 1.00 20.90 ? 52 GLU A HA 1 ATOM 740 H HB2 . GLU A 1 52 ? -10.782 -3.324 23.076 1.00 21.20 ? 52 GLU A HB2 1 ATOM 741 H HB3 . GLU A 1 52 ? -10.782 -2.619 21.649 1.00 21.20 ? 52 GLU A HB3 1 ATOM 742 H HG2 . GLU A 1 52 ? -12.727 -1.445 22.240 1.00 21.87 ? 52 GLU A HG2 1 ATOM 743 H HG3 . GLU A 1 52 ? -12.708 -2.137 23.667 1.00 21.87 ? 52 GLU A HG3 1 ATOM 744 N N . VAL A 1 53 ? -11.609 -6.372 21.427 1.00 15.46 ? 53 VAL A N 1 ATOM 745 C CA . VAL A 1 53 ? -10.981 -7.481 20.713 1.00 15.41 ? 53 VAL A CA 1 ATOM 746 C C . VAL A 1 53 ? -12.063 -8.240 19.947 1.00 16.31 ? 53 VAL A C 1 ATOM 747 O O . VAL A 1 53 ? -13.076 -8.634 20.528 1.00 17.50 ? 53 VAL A O 1 ATOM 748 C CB . VAL A 1 53 ? -10.266 -8.438 21.681 1.00 15.64 ? 53 VAL A CB 1 ATOM 749 C CG1 . VAL A 1 53 ? -9.580 -9.575 20.921 1.00 16.95 ? 53 VAL A CG1 1 ATOM 750 C CG2 . VAL A 1 53 ? -9.282 -7.667 22.566 1.00 15.48 ? 53 VAL A CG2 1 ATOM 751 H H . VAL A 1 53 ? -12.086 -6.616 22.100 1.00 18.55 ? 53 VAL A H 1 ATOM 752 H HA . VAL A 1 53 ? -10.333 -7.137 20.079 1.00 18.49 ? 53 VAL A HA 1 ATOM 753 H HB . VAL A 1 53 ? -10.930 -8.837 22.265 1.00 18.77 ? 53 VAL A HB 1 ATOM 754 H HG11 . VAL A 1 53 ? -9.739 -9.460 19.971 1.00 20.34 ? 53 VAL A HG11 1 ATOM 755 H HG12 . VAL A 1 53 ? -8.628 -9.548 21.103 1.00 20.34 ? 53 VAL A HG12 1 ATOM 756 H HG13 . VAL A 1 53 ? -9.950 -10.421 21.218 1.00 20.34 ? 53 VAL A HG13 1 ATOM 757 H HG21 . VAL A 1 53 ? -9.315 -6.727 22.330 1.00 18.57 ? 53 VAL A HG21 1 ATOM 758 H HG22 . VAL A 1 53 ? -9.535 -7.785 23.495 1.00 18.57 ? 53 VAL A HG22 1 ATOM 759 H HG23 . VAL A 1 53 ? -8.388 -8.014 22.420 1.00 18.57 ? 53 VAL A HG23 1 ATOM 760 N N . ASP A 1 54 ? -11.852 -8.416 18.644 1.00 15.60 ? 54 ASP A N 1 ATOM 761 C CA A ASP A 1 54 ? -12.812 -9.110 17.788 0.72 16.86 ? 54 ASP A CA 1 ATOM 762 C CA B ASP A 1 54 ? -12.809 -9.101 17.785 0.28 16.43 ? 54 ASP A CA 1 ATOM 763 C C . ASP A 1 54 ? -12.082 -9.950 16.746 1.00 16.18 ? 54 ASP A C 1 ATOM 764 O O . ASP A 1 54 ? -11.986 -9.573 15.582 1.00 17.93 ? 54 ASP A O 1 ATOM 765 C CB A ASP A 1 54 ? -13.738 -8.104 17.095 0.72 18.97 ? 54 ASP A CB 1 ATOM 766 C CB B ASP A 1 54 ? -13.713 -8.082 17.084 0.28 17.51 ? 54 ASP A CB 1 ATOM 767 C CG A ASP A 1 54 ? -14.884 -8.773 16.342 0.72 20.86 ? 54 ASP A CG 1 ATOM 768 C CG B ASP A 1 54 ? -14.813 -8.740 16.272 0.28 18.39 ? 54 ASP A CG 1 ATOM 769 O OD1 A ASP A 1 54 ? -14.911 -10.018 16.245 0.72 21.57 ? 54 ASP A OD1 1 ATOM 770 O OD1 B ASP A 1 54 ? -15.437 -9.691 16.783 0.28 18.52 ? 54 ASP A OD1 1 ATOM 771 O OD2 A ASP A 1 54 ? -15.757 -8.040 15.829 0.72 21.59 ? 54 ASP A OD2 1 ATOM 772 O OD2 B ASP A 1 54 ? -15.049 -8.313 15.121 0.28 18.78 ? 54 ASP A OD2 1 ATOM 773 H H A ASP A 1 54 ? -11.153 -8.138 18.228 0.72 18.72 ? 54 ASP A H 1 ATOM 774 H H B ASP A 1 54 ? -11.150 -8.141 18.230 0.28 18.72 ? 54 ASP A H 1 ATOM 775 H HA A ASP A 1 54 ? -13.357 -9.703 18.330 0.72 20.23 ? 54 ASP A HA 1 ATOM 776 H HA B ASP A 1 54 ? -13.365 -9.685 18.323 0.28 19.72 ? 54 ASP A HA 1 ATOM 777 H HB2 A ASP A 1 54 ? -14.122 -7.516 17.764 0.72 22.76 ? 54 ASP A HB2 1 ATOM 778 H HB2 B ASP A 1 54 ? -14.131 -7.517 17.753 0.28 21.01 ? 54 ASP A HB2 1 ATOM 779 H HB3 A ASP A 1 54 ? -13.221 -7.588 16.457 0.72 22.76 ? 54 ASP A HB3 1 ATOM 780 H HB3 B ASP A 1 54 ? -13.176 -7.544 16.482 0.28 21.01 ? 54 ASP A HB3 1 ATOM 781 N N . GLY A 1 55 ? -11.559 -11.086 17.181 1.00 15.34 ? 55 GLY A N 1 ATOM 782 C CA . GLY A 1 55 ? -10.942 -12.043 16.285 1.00 15.16 ? 55 GLY A CA 1 ATOM 783 C C . GLY A 1 55 ? -9.431 -11.993 16.200 1.00 13.86 ? 55 GLY A C 1 ATOM 784 O O . GLY A 1 55 ? -8.830 -12.862 15.573 1.00 14.49 ? 55 GLY A O 1 ATOM 785 H H . GLY A 1 55 ? -11.550 -11.328 18.007 1.00 18.41 ? 55 GLY A H 1 ATOM 786 H HA2 . GLY A 1 55 ? -11.192 -12.937 16.566 1.00 18.19 ? 55 GLY A HA2 1 ATOM 787 H HA3 . GLY A 1 55 ? -11.293 -11.903 15.392 1.00 18.19 ? 55 GLY A HA3 1 ATOM 788 N N . GLN A 1 56 ? -8.798 -10.974 16.782 1.00 12.18 ? 56 GLN A N 1 ATOM 789 C CA . GLN A 1 56 ? -7.341 -10.870 16.724 1.00 11.45 ? 56 GLN A CA 1 ATOM 790 C C . GLN A 1 56 ? -6.706 -11.955 17.585 1.00 11.54 ? 56 GLN A C 1 ATOM 791 O O . GLN A 1 56 ? -7.293 -12.423 18.564 1.00 12.91 ? 56 GLN A O 1 ATOM 792 C CB . GLN A 1 56 ? -6.855 -9.505 17.224 1.00 10.88 ? 56 GLN A CB 1 ATOM 793 C CG . GLN A 1 56 ? -7.255 -8.317 16.369 1.00 10.89 ? 56 GLN A CG 1 ATOM 794 C CD . GLN A 1 56 ? -8.681 -7.849 16.593 1.00 11.36 ? 56 GLN A CD 1 ATOM 795 O OE1 . GLN A 1 56 ? -9.346 -8.240 17.555 1.00 12.16 ? 56 GLN A OE1 1 ATOM 796 N NE2 . GLN A 1 56 ? -9.149 -6.991 15.706 1.00 11.59 ? 56 GLN A NE2 1 ATOM 797 H H . GLN A 1 56 ? -9.185 -10.337 17.212 1.00 14.62 ? 56 GLN A H 1 ATOM 798 H HA . GLN A 1 56 ? -7.043 -10.988 15.808 1.00 13.74 ? 56 GLN A HA 1 ATOM 799 H HB2 . GLN A 1 56 ? -7.214 -9.358 18.113 1.00 13.06 ? 56 GLN A HB2 1 ATOM 800 H HB3 . GLN A 1 56 ? -5.886 -9.521 17.266 1.00 13.06 ? 56 GLN A HB3 1 ATOM 801 H HG2 . GLN A 1 56 ? -6.665 -7.575 16.570 1.00 13.06 ? 56 GLN A HG2 1 ATOM 802 H HG3 . GLN A 1 56 ? -7.168 -8.562 15.434 1.00 13.06 ? 56 GLN A HG3 1 ATOM 803 H HE21 . GLN A 1 56 ? -8.652 -6.733 15.054 1.00 13.91 ? 56 GLN A HE21 1 ATOM 804 H HE22 . GLN A 1 56 ? -9.951 -6.690 15.781 1.00 13.91 ? 56 GLN A HE22 1 ATOM 805 N N . THR A 1 57 ? -5.489 -12.341 17.223 1.00 10.41 ? 57 THR A N 1 ATOM 806 C CA . THR A 1 57 ? -4.664 -13.168 18.087 1.00 10.28 ? 57 THR A CA 1 ATOM 807 C C . THR A 1 57 ? -3.989 -12.270 19.104 1.00 10.36 ? 57 THR A C 1 ATOM 808 O O . THR A 1 57 ? -3.484 -11.203 18.756 1.00 11.57 ? 57 THR A O 1 ATOM 809 C CB . THR A 1 57 ? -3.625 -13.929 17.267 1.00 10.90 ? 57 THR A CB 1 ATOM 810 O OG1 . THR A 1 57 ? -4.309 -14.868 16.427 1.00 12.26 ? 57 THR A OG1 1 ATOM 811 C CG2 . THR A 1 57 ? -2.636 -14.678 18.160 1.00 12.15 ? 57 THR A CG2 1 ATOM 812 H H . THR A 1 57 ? -5.116 -12.134 16.476 1.00 12.49 ? 57 THR A H 1 ATOM 813 H HA . THR A 1 57 ? -5.221 -13.809 18.556 1.00 12.34 ? 57 THR A HA 1 ATOM 814 H HB . THR A 1 57 ? -3.129 -13.304 16.715 1.00 13.08 ? 57 THR A HB 1 ATOM 815 H HG1 . THR A 1 57 ? -4.749 -15.408 16.898 1.00 14.72 ? 57 THR A HG1 1 ATOM 816 H HG21 . THR A 1 57 ? -3.109 -15.319 18.714 1.00 14.59 ? 57 THR A HG21 1 ATOM 817 H HG22 . THR A 1 57 ? -1.989 -15.151 17.614 1.00 14.59 ? 57 THR A HG22 1 ATOM 818 H HG23 . THR A 1 57 ? -2.167 -14.052 18.733 1.00 14.59 ? 57 THR A HG23 1 ATOM 819 N N . ILE A 1 58 ? -4.012 -12.677 20.366 1.00 10.15 ? 58 ILE A N 1 ATOM 820 C CA . ILE A 1 58 ? -3.443 -11.865 21.443 1.00 11.02 ? 58 ILE A CA 1 ATOM 821 C C . ILE A 1 58 ? -2.148 -12.431 22.002 1.00 11.02 ? 58 ILE A C 1 ATOM 822 O O . ILE A 1 58 ? -1.929 -13.646 22.002 1.00 12.00 ? 58 ILE A O 1 ATOM 823 C CB . ILE A 1 58 ? -4.441 -11.667 22.607 1.00 13.35 ? 58 ILE A CB 1 ATOM 824 C CG1 . ILE A 1 58 ? -4.822 -13.000 23.264 1.00 15.15 ? 58 ILE A CG1 1 ATOM 825 C CG2 . ILE A 1 58 ? -5.682 -10.928 22.111 1.00 14.92 ? 58 ILE A CG2 1 ATOM 826 C CD1 . ILE A 1 58 ? -5.570 -12.848 24.584 1.00 16.65 ? 58 ILE A CD1 1 ATOM 827 H H . ILE A 1 58 ? -4.352 -13.422 20.630 1.00 12.18 ? 58 ILE A H 1 ATOM 828 H HA . ILE A 1 58 ? -3.241 -10.987 21.084 1.00 13.22 ? 58 ILE A HA 1 ATOM 829 H HB . ILE A 1 58 ? -4.011 -11.115 23.279 1.00 16.02 ? 58 ILE A HB 1 ATOM 830 H HG12 . ILE A 1 58 ? -5.392 -13.496 22.656 1.00 18.18 ? 58 ILE A HG12 1 ATOM 831 H HG13 . ILE A 1 58 ? -4.012 -13.505 23.440 1.00 18.18 ? 58 ILE A HG13 1 ATOM 832 H HG21 . ILE A 1 58 ? -6.102 -11.452 21.411 1.00 17.90 ? 58 ILE A HG21 1 ATOM 833 H HG22 . ILE A 1 58 ? -6.297 -10.812 22.852 1.00 17.90 ? 58 ILE A HG22 1 ATOM 834 H HG23 . ILE A 1 58 ? -5.416 -10.063 21.762 1.00 17.90 ? 58 ILE A HG23 1 ATOM 835 H HD11 . ILE A 1 58 ? -5.774 -13.729 24.934 1.00 19.97 ? 58 ILE A HD11 1 ATOM 836 H HD12 . ILE A 1 58 ? -5.009 -12.364 25.210 1.00 19.97 ? 58 ILE A HD12 1 ATOM 837 H HD13 . ILE A 1 58 ? -6.391 -12.356 24.426 1.00 19.97 ? 58 ILE A HD13 1 ATOM 838 N N . TYR A 1 59 ? -1.297 -11.520 22.465 1.00 10.30 ? 59 TYR A N 1 ATOM 839 C CA . TYR A 1 59 ? -0.104 -11.851 23.224 1.00 9.76 ? 59 TYR A CA 1 ATOM 840 C C . TYR A 1 59 ? -0.485 -11.915 24.693 1.00 9.93 ? 59 TYR A C 1 ATOM 841 O O . TYR A 1 59 ? -1.119 -10.997 25.214 1.00 11.25 ? 59 TYR A O 1 ATOM 842 C CB . TYR A 1 59 ? 0.938 -10.759 23.010 1.00 10.41 ? 59 TYR A CB 1 ATOM 843 C CG . TYR A 1 59 ? 2.139 -10.758 23.917 1.00 9.60 ? 59 TYR A CG 1 ATOM 844 C CD1 . TYR A 1 59 ? 3.002 -11.835 23.969 1.00 9.79 ? 59 TYR A CD1 1 ATOM 845 C CD2 . TYR A 1 59 ? 2.447 -9.643 24.687 1.00 10.40 ? 59 TYR A CD2 1 ATOM 846 C CE1 . TYR A 1 59 ? 4.137 -11.812 24.772 1.00 10.17 ? 59 TYR A CE1 1 ATOM 847 C CE2 . TYR A 1 59 ? 3.567 -9.603 25.481 1.00 10.86 ? 59 TYR A CE2 1 ATOM 848 C CZ . TYR A 1 59 ? 4.420 -10.690 25.523 1.00 10.55 ? 59 TYR A CZ 1 ATOM 849 O OH . TYR A 1 59 ? 5.547 -10.652 26.318 1.00 11.72 ? 59 TYR A OH 1 ATOM 850 H H . TYR A 1 59 ? -1.398 -10.675 22.345 1.00 12.36 ? 59 TYR A H 1 ATOM 851 H HA . TYR A 1 59 ? 0.256 -12.706 22.941 1.00 11.72 ? 59 TYR A HA 1 ATOM 852 H HB2 . TYR A 1 59 ? 1.269 -10.834 22.101 1.00 12.49 ? 59 TYR A HB2 1 ATOM 853 H HB3 . TYR A 1 59 ? 0.500 -9.901 23.118 1.00 12.49 ? 59 TYR A HB3 1 ATOM 854 H HD1 . TYR A 1 59 ? 2.824 -12.588 23.453 1.00 11.75 ? 59 TYR A HD1 1 ATOM 855 H HD2 . TYR A 1 59 ? 1.887 -8.901 24.654 1.00 12.48 ? 59 TYR A HD2 1 ATOM 856 H HE1 . TYR A 1 59 ? 4.707 -12.546 24.796 1.00 12.20 ? 59 TYR A HE1 1 ATOM 857 H HE2 . TYR A 1 59 ? 3.752 -8.846 25.989 1.00 13.03 ? 59 TYR A HE2 1 ATOM 858 H HH . TYR A 1 59 ? 5.593 -9.914 26.716 1.00 14.07 ? 59 TYR A HH 1 ATOM 859 N N . THR A 1 60 ? -0.117 -13.012 25.342 1.00 10.18 ? 60 THR A N 1 ATOM 860 C CA . THR A 1 60 ? -0.346 -13.194 26.774 1.00 11.10 ? 60 THR A CA 1 ATOM 861 C C . THR A 1 60 ? 1.004 -13.264 27.498 1.00 10.86 ? 60 THR A C 1 ATOM 862 O O . THR A 1 60 ? 1.649 -14.318 27.519 1.00 11.70 ? 60 THR A O 1 ATOM 863 C CB . THR A 1 60 ? -1.147 -14.476 27.029 1.00 11.85 ? 60 THR A CB 1 ATOM 864 O OG1 . THR A 1 60 ? -2.363 -14.434 26.277 1.00 13.77 ? 60 THR A OG1 1 ATOM 865 C CG2 . THR A 1 60 ? -1.487 -14.618 28.511 1.00 12.81 ? 60 THR A CG2 1 ATOM 866 H H . THR A 1 60 ? 0.275 -13.680 24.969 1.00 12.21 ? 60 THR A H 1 ATOM 867 H HA . THR A 1 60 ? -0.847 -12.440 27.123 1.00 13.32 ? 60 THR A HA 1 ATOM 868 H HB . THR A 1 60 ? -0.623 -15.246 26.757 1.00 14.21 ? 60 THR A HB 1 ATOM 869 H HG1 . THR A 1 60 ? -2.191 -14.373 25.457 1.00 16.53 ? 60 THR A HG1 1 ATOM 870 H HG21 . THR A 1 60 ? -0.672 -14.654 29.036 1.00 15.38 ? 60 THR A HG21 1 ATOM 871 H HG22 . THR A 1 60 ? -2.017 -13.861 28.804 1.00 15.38 ? 60 THR A HG22 1 ATOM 872 H HG23 . THR A 1 60 ? -1.993 -15.433 28.658 1.00 15.38 ? 60 THR A HG23 1 ATOM 873 N N . PRO A 1 61 ? 1.444 -12.135 28.091 1.00 11.61 ? 61 PRO A N 1 ATOM 874 C CA . PRO A 1 61 ? 2.798 -12.169 28.661 1.00 12.41 ? 61 PRO A CA 1 ATOM 875 C C . PRO A 1 61 ? 2.962 -13.171 29.800 1.00 12.61 ? 61 PRO A C 1 ATOM 876 O O . PRO A 1 61 ? 4.052 -13.694 29.973 1.00 13.42 ? 61 PRO A O 1 ATOM 877 C CB . PRO A 1 61 ? 3.040 -10.728 29.134 1.00 14.16 ? 61 PRO A CB 1 ATOM 878 C CG . PRO A 1 61 ? 1.732 -10.055 29.082 1.00 14.06 ? 61 PRO A CG 1 ATOM 879 C CD . PRO A 1 61 ? 0.873 -10.779 28.106 1.00 12.81 ? 61 PRO A CD 1 ATOM 880 H HA . PRO A 1 61 ? 3.440 -12.381 27.966 1.00 14.89 ? 61 PRO A HA 1 ATOM 881 H HB2 . PRO A 1 61 ? 3.381 -10.738 30.041 1.00 16.99 ? 61 PRO A HB2 1 ATOM 882 H HB3 . PRO A 1 61 ? 3.669 -10.293 28.538 1.00 16.99 ? 61 PRO A HB3 1 ATOM 883 H HG2 . PRO A 1 61 ? 1.328 -10.079 29.964 1.00 16.87 ? 61 PRO A HG2 1 ATOM 884 H HG3 . PRO A 1 61 ? 1.858 -9.136 28.798 1.00 16.87 ? 61 PRO A HG3 1 ATOM 885 H HD2 . PRO A 1 61 ? -0.046 -10.802 28.416 1.00 15.37 ? 61 PRO A HD2 1 ATOM 886 H HD3 . PRO A 1 61 ? 0.943 -10.373 27.228 1.00 15.37 ? 61 PRO A HD3 1 ATOM 887 N N . SER A 1 62 ? 1.901 -13.450 30.546 1.00 13.40 ? 62 SER A N 1 ATOM 888 C CA . SER A 1 62 ? 2.002 -14.375 31.664 1.00 13.93 ? 62 SER A CA 1 ATOM 889 C C . SER A 1 62 ? 2.318 -15.808 31.213 1.00 14.15 ? 62 SER A C 1 ATOM 890 O O . SER A 1 62 ? 2.722 -16.640 32.027 1.00 16.36 ? 62 SER A O 1 ATOM 891 C CB . SER A 1 62 ? 0.713 -14.361 32.479 1.00 15.67 ? 62 SER A CB 1 ATOM 892 O OG . SER A 1 62 ? -0.363 -14.868 31.704 1.00 17.42 ? 62 SER A OG 1 ATOM 893 H H . SER A 1 62 ? 1.116 -13.120 30.426 1.00 16.08 ? 62 SER A H 1 ATOM 894 H HA . SER A 1 62 ? 2.722 -14.083 32.245 1.00 16.72 ? 62 SER A HA 1 ATOM 895 H HB2 . SER A 1 62 ? 0.828 -14.917 33.265 1.00 18.80 ? 62 SER A HB2 1 ATOM 896 H HB3 . SER A 1 62 ? 0.513 -13.449 32.741 1.00 18.80 ? 62 SER A HB3 1 ATOM 897 H HG . SER A 1 62 ? -1.071 -14.859 32.156 1.00 20.90 ? 62 SER A HG 1 ATOM 898 N N . LYS A 1 63 ? 2.109 -16.101 29.933 1.00 13.64 ? 63 LYS A N 1 ATOM 899 C CA . LYS A 1 63 ? 2.438 -17.415 29.380 1.00 14.13 ? 63 LYS A CA 1 ATOM 900 C C . LYS A 1 63 ? 3.831 -17.473 28.753 1.00 13.11 ? 63 LYS A C 1 ATOM 901 O O . LYS A 1 63 ? 4.234 -18.513 28.222 1.00 13.74 ? 63 LYS A O 1 ATOM 902 C CB . LYS A 1 63 ? 1.387 -17.819 28.349 1.00 16.25 ? 63 LYS A CB 1 ATOM 903 C CG . LYS A 1 63 ? 0.016 -18.059 28.960 1.00 17.34 ? 63 LYS A CG 1 ATOM 904 C CD . LYS A 1 63 ? -1.025 -18.440 27.911 1.00 20.39 ? 63 LYS A CD 1 ATOM 905 H H . LYS A 1 63 ? 1.775 -15.553 29.360 1.00 16.36 ? 63 LYS A H 1 ATOM 906 H HA . LYS A 1 63 ? 2.412 -18.067 30.097 1.00 16.96 ? 63 LYS A HA 1 ATOM 907 H HB2 . LYS A 1 63 ? 1.302 -17.111 27.692 1.00 19.50 ? 63 LYS A HB2 1 ATOM 908 H HB3 . LYS A 1 63 ? 1.670 -18.640 27.917 1.00 19.50 ? 63 LYS A HB3 1 ATOM 909 H HG2 . LYS A 1 63 ? 0.076 -18.784 29.601 1.00 20.81 ? 63 LYS A HG2 1 ATOM 910 H HG3 . LYS A 1 63 ? -0.282 -17.248 29.400 1.00 20.81 ? 63 LYS A HG3 1 ATOM 911 N N . SER A 1 64 ? 4.564 -16.362 28.807 1.00 12.43 ? 64 SER A N 1 ATOM 912 C CA . SER A 1 64 ? 5.916 -16.295 28.258 1.00 12.41 ? 64 SER A CA 1 ATOM 913 C C . SER A 1 64 ? 6.944 -16.262 29.377 1.00 13.11 ? 64 SER A C 1 ATOM 914 O O . SER A 1 64 ? 6.935 -15.354 30.202 1.00 13.18 ? 64 SER A O 1 ATOM 915 C CB . SER A 1 64 ? 6.094 -15.036 27.416 1.00 11.36 ? 64 SER A CB 1 ATOM 916 O OG . SER A 1 64 ? 7.448 -14.904 27.018 1.00 11.57 ? 64 SER A OG 1 ATOM 917 H H . SER A 1 64 ? 4.296 -15.625 29.161 1.00 14.92 ? 64 SER A H 1 ATOM 918 H HA . SER A 1 64 ? 6.084 -17.071 27.701 1.00 14.90 ? 64 SER A HA 1 ATOM 919 H HB2 . SER A 1 64 ? 5.535 -15.101 26.626 1.00 13.63 ? 64 SER A HB2 1 ATOM 920 H HB3 . SER A 1 64 ? 5.839 -14.263 27.943 1.00 13.63 ? 64 SER A HB3 1 ATOM 921 H HG . SER A 1 64 ? 7.681 -15.570 26.563 1.00 13.88 ? 64 SER A HG 1 ATOM 922 N N . THR A 1 65 ? 7.851 -17.230 29.391 1.00 14.00 ? 65 THR A N 1 ATOM 923 C CA . THR A 1 65 ? 8.822 -17.332 30.475 1.00 15.02 ? 65 THR A CA 1 ATOM 924 C C . THR A 1 65 ? 9.910 -16.268 30.368 1.00 14.33 ? 65 THR A C 1 ATOM 925 O O . THR A 1 65 ? 10.662 -16.058 31.322 1.00 16.22 ? 65 THR A O 1 ATOM 926 C CB . THR A 1 65 ? 9.482 -18.715 30.512 1.00 17.47 ? 65 THR A CB 1 ATOM 927 O OG1 . THR A 1 65 ? 10.130 -18.974 29.262 1.00 17.77 ? 65 THR A OG1 1 ATOM 928 C CG2 . THR A 1 65 ? 8.446 -19.804 30.777 1.00 19.00 ? 65 THR A CG2 1 ATOM 929 H H . THR A 1 65 ? 7.926 -17.839 28.788 1.00 16.80 ? 65 THR A H 1 ATOM 930 H HA . THR A 1 65 ? 8.362 -17.200 31.318 1.00 18.03 ? 65 THR A HA 1 ATOM 931 H HB . THR A 1 65 ? 10.138 -18.738 31.226 1.00 20.96 ? 65 THR A HB 1 ATOM 932 H HG1 . THR A 1 65 ? 9.569 -18.954 28.638 1.00 21.32 ? 65 THR A HG1 1 ATOM 933 H HG21 . THR A 1 65 ? 8.877 -20.673 30.798 1.00 22.80 ? 65 THR A HG21 1 ATOM 934 H HG22 . THR A 1 65 ? 8.011 -19.648 31.629 1.00 22.80 ? 65 THR A HG22 1 ATOM 935 H HG23 . THR A 1 65 ? 7.776 -19.802 30.075 1.00 22.80 ? 65 THR A HG23 1 ATOM 936 N N . THR A 1 66 ? 9.980 -15.591 29.225 1.00 12.91 ? 66 THR A N 1 ATOM 937 C CA . THR A 1 66 ? 10.973 -14.544 28.999 1.00 12.36 ? 66 THR A CA 1 ATOM 938 C C . THR A 1 66 ? 10.382 -13.127 29.078 1.00 12.84 ? 66 THR A C 1 ATOM 939 O O . THR A 1 66 ? 11.110 -12.156 28.963 1.00 14.42 ? 66 THR A O 1 ATOM 940 C CB . THR A 1 66 ? 11.668 -14.742 27.646 1.00 12.73 ? 66 THR A CB 1 ATOM 941 O OG1 . THR A 1 66 ? 10.701 -15.106 26.662 1.00 12.28 ? 66 THR A OG1 1 ATOM 942 C CG2 . THR A 1 66 ? 12.693 -15.868 27.727 1.00 14.04 ? 66 THR A CG2 1 ATOM 943 H H . THR A 1 66 ? 9.456 -15.722 28.555 1.00 15.49 ? 66 THR A H 1 ATOM 944 H HA . THR A 1 66 ? 11.653 -14.613 29.688 1.00 14.83 ? 66 THR A HA 1 ATOM 945 H HB . THR A 1 66 ? 12.118 -13.925 27.382 1.00 15.28 ? 66 THR A HB 1 ATOM 946 H HG1 . THR A 1 66 ? 10.123 -14.500 26.589 1.00 14.73 ? 66 THR A HG1 1 ATOM 947 H HG21 . THR A 1 66 ? 13.366 -15.656 28.392 1.00 16.85 ? 66 THR A HG21 1 ATOM 948 H HG22 . THR A 1 66 ? 12.255 -16.697 27.974 1.00 16.85 ? 66 THR A HG22 1 ATOM 949 H HG23 . THR A 1 66 ? 13.125 -15.984 26.866 1.00 16.85 ? 66 THR A HG23 1 ATOM 950 N N . ALA A 1 67 ? 9.077 -13.010 29.301 1.00 11.75 ? 67 ALA A N 1 ATOM 951 C CA . ALA A 1 67 ? 8.437 -11.697 29.441 1.00 11.18 ? 67 ALA A CA 1 ATOM 952 C C . ALA A 1 67 ? 8.785 -11.057 30.780 1.00 11.86 ? 67 ALA A C 1 ATOM 953 O O . ALA A 1 67 ? 8.791 -11.717 31.801 1.00 13.38 ? 67 ALA A O 1 ATOM 954 C CB . ALA A 1 67 ? 6.926 -11.827 29.321 1.00 11.82 ? 67 ALA A CB 1 ATOM 955 H H . ALA A 1 67 ? 8.536 -13.674 29.377 1.00 14.10 ? 67 ALA A H 1 ATOM 956 H HA . ALA A 1 67 ? 8.749 -11.112 28.733 1.00 13.42 ? 67 ALA A HA 1 ATOM 957 H HB1 . ALA A 1 67 ? 6.526 -10.949 29.416 1.00 14.19 ? 67 ALA A HB1 1 ATOM 958 H HB2 . ALA A 1 67 ? 6.710 -12.198 28.452 1.00 14.19 ? 67 ALA A HB2 1 ATOM 959 H HB3 . ALA A 1 67 ? 6.604 -12.416 30.022 1.00 14.19 ? 67 ALA A HB3 1 ATOM 960 N N . LYS A 1 68 ? 9.047 -9.760 30.770 1.00 11.84 ? 68 LYS A N 1 ATOM 961 C CA . LYS A 1 68 ? 9.241 -9.018 32.002 1.00 12.46 ? 68 LYS A CA 1 ATOM 962 C C . LYS A 1 68 ? 8.526 -7.682 31.872 1.00 11.53 ? 68 LYS A C 1 ATOM 963 O O . LYS A 1 68 ? 8.695 -6.971 30.885 1.00 11.66 ? 68 LYS A O 1 ATOM 964 C CB . LYS A 1 68 ? 10.730 -8.782 32.263 1.00 15.23 ? 68 LYS A CB 1 ATOM 965 C CG . LYS A 1 68 ? 11.561 -10.038 32.367 1.00 18.91 ? 68 LYS A CG 1 ATOM 966 H H . LYS A 1 68 ? 9.119 -9.283 30.058 1.00 14.21 ? 68 LYS A H 1 ATOM 967 H HA . LYS A 1 68 ? 8.862 -9.508 32.749 1.00 14.95 ? 68 LYS A HA 1 ATOM 968 H HB2 . LYS A 1 68 ? 11.090 -8.251 31.535 1.00 18.28 ? 68 LYS A HB2 1 ATOM 969 H HB3 . LYS A 1 68 ? 10.825 -8.297 33.098 1.00 18.28 ? 68 LYS A HB3 1 ATOM 970 N N . LEU A 1 69 ? 7.722 -7.331 32.863 1.00 11.53 ? 69 LEU A N 1 ATOM 971 C CA . LEU A 1 69 ? 7.117 -5.999 32.888 1.00 11.80 ? 69 LEU A CA 1 ATOM 972 C C . LEU A 1 69 ? 8.208 -4.939 32.861 1.00 11.06 ? 69 LEU A C 1 ATOM 973 O O . LEU A 1 69 ? 9.168 -5.017 33.626 1.00 12.20 ? 69 LEU A O 1 ATOM 974 C CB . LEU A 1 69 ? 6.275 -5.821 34.144 1.00 13.28 ? 69 LEU A CB 1 ATOM 975 C CG . LEU A 1 69 ? 5.538 -4.482 34.246 1.00 13.48 ? 69 LEU A CG 1 ATOM 976 C CD1 . LEU A 1 69 ? 4.405 -4.396 33.233 1.00 13.82 ? 69 LEU A CD1 1 ATOM 977 C CD2 . LEU A 1 69 ? 5.034 -4.275 35.675 1.00 13.86 ? 69 LEU A CD2 1 ATOM 978 H H . LEU A 1 69 ? 7.510 -7.834 33.528 1.00 13.84 ? 69 LEU A H 1 ATOM 979 H HA . LEU A 1 69 ? 6.549 -5.882 32.111 1.00 14.16 ? 69 LEU A HA 1 ATOM 980 H HB2 . LEU A 1 69 ? 5.608 -6.524 34.170 1.00 15.93 ? 69 LEU A HB2 1 ATOM 981 H HB3 . LEU A 1 69 ? 6.856 -5.894 34.917 1.00 15.93 ? 69 LEU A HB3 1 ATOM 982 H HG . LEU A 1 69 ? 6.164 -3.767 34.048 1.00 16.17 ? 69 LEU A HG 1 ATOM 983 H HD11 . LEU A 1 69 ? 3.963 -3.538 33.327 1.00 16.58 ? 69 LEU A HD11 1 ATOM 984 H HD12 . LEU A 1 69 ? 4.773 -4.484 32.340 1.00 16.58 ? 69 LEU A HD12 1 ATOM 985 H HD13 . LEU A 1 69 ? 3.775 -5.114 33.404 1.00 16.58 ? 69 LEU A HD13 1 ATOM 986 H HD21 . LEU A 1 69 ? 5.792 -4.275 36.280 1.00 16.63 ? 69 LEU A HD21 1 ATOM 987 H HD22 . LEU A 1 69 ? 4.570 -3.424 35.726 1.00 16.63 ? 69 LEU A HD22 1 ATOM 988 H HD23 . LEU A 1 69 ? 4.427 -4.997 35.903 1.00 16.63 ? 69 LEU A HD23 1 ATOM 989 N N . LEU A 1 70 ? 8.077 -3.957 31.978 1.00 10.92 ? 70 LEU A N 1 ATOM 990 C CA . LEU A 1 70 ? 8.949 -2.790 32.015 1.00 11.00 ? 70 LEU A CA 1 ATOM 991 C C . LEU A 1 70 ? 8.284 -1.790 32.958 1.00 10.39 ? 70 LEU A C 1 ATOM 992 O O . LEU A 1 70 ? 7.362 -1.060 32.581 1.00 10.82 ? 70 LEU A O 1 ATOM 993 C CB . LEU A 1 70 ? 9.139 -2.217 30.613 1.00 10.58 ? 70 LEU A CB 1 ATOM 994 C CG . LEU A 1 70 ? 10.181 -1.098 30.509 1.00 11.29 ? 70 LEU A CG 1 ATOM 995 C CD1 . LEU A 1 70 ? 11.592 -1.568 30.906 1.00 12.24 ? 70 LEU A CD1 1 ATOM 996 C CD2 . LEU A 1 70 ? 10.206 -0.530 29.107 1.00 12.14 ? 70 LEU A CD2 1 ATOM 997 H H . LEU A 1 70 ? 7.492 -3.941 31.347 1.00 13.11 ? 70 LEU A H 1 ATOM 998 H HA . LEU A 1 70 ? 9.815 -3.035 32.376 1.00 13.20 ? 70 LEU A HA 1 ATOM 999 H HB2 . LEU A 1 70 ? 9.419 -2.934 30.022 1.00 12.70 ? 70 LEU A HB2 1 ATOM 1000 H HB3 . LEU A 1 70 ? 8.291 -1.857 30.309 1.00 12.70 ? 70 LEU A HB3 1 ATOM 1001 H HG . LEU A 1 70 ? 9.928 -0.382 31.113 1.00 13.54 ? 70 LEU A HG 1 ATOM 1002 H HD11 . LEU A 1 70 ? 11.573 -1.881 31.824 1.00 14.69 ? 70 LEU A HD11 1 ATOM 1003 H HD12 . LEU A 1 70 ? 11.862 -2.289 30.316 1.00 14.69 ? 70 LEU A HD12 1 ATOM 1004 H HD13 . LEU A 1 70 ? 12.207 -0.823 30.822 1.00 14.69 ? 70 LEU A HD13 1 ATOM 1005 H HD21 . LEU A 1 70 ? 10.871 0.175 29.064 1.00 14.57 ? 70 LEU A HD21 1 ATOM 1006 H HD22 . LEU A 1 70 ? 10.434 -1.238 28.484 1.00 14.57 ? 70 LEU A HD22 1 ATOM 1007 H HD23 . LEU A 1 70 ? 9.329 -0.172 28.895 1.00 14.57 ? 70 LEU A HD23 1 ATOM 1008 N N . SER A 1 71 ? 8.706 -1.830 34.212 1.00 10.16 ? 71 SER A N 1 ATOM 1009 C CA . SER A 1 71 ? 7.952 -1.208 35.282 1.00 11.17 ? 71 SER A CA 1 ATOM 1010 C C . SER A 1 71 ? 7.811 0.292 35.099 1.00 10.40 ? 71 SER A C 1 ATOM 1011 O O . SER A 1 71 ? 8.802 0.998 34.913 1.00 11.80 ? 71 SER A O 1 ATOM 1012 C CB . SER A 1 71 ? 8.603 -1.517 36.626 1.00 14.66 ? 71 SER A CB 1 ATOM 1013 O OG . SER A 1 71 ? 7.835 -0.955 37.684 1.00 16.99 ? 71 SER A OG 1 ATOM 1014 H H . SER A 1 71 ? 9.431 -2.214 34.470 1.00 12.20 ? 71 SER A H 1 ATOM 1015 H HA . SER A 1 71 ? 7.059 -1.588 35.293 1.00 13.40 ? 71 SER A HA 1 ATOM 1016 H HB2 . SER A 1 71 ? 8.650 -2.479 36.743 1.00 17.59 ? 71 SER A HB2 1 ATOM 1017 H HB3 . SER A 1 71 ? 9.495 -1.135 36.643 1.00 17.59 ? 71 SER A HB3 1 ATOM 1018 H HG . SER A 1 71 ? 8.195 -1.126 38.423 1.00 20.39 ? 71 SER A HG 1 ATOM 1019 N N . GLY A 1 72 ? 6.570 0.766 35.152 1.00 10.66 ? 72 GLY A N 1 ATOM 1020 C CA . GLY A 1 72 ? 6.278 2.183 35.042 1.00 11.35 ? 72 GLY A CA 1 ATOM 1021 C C . GLY A 1 72 ? 6.111 2.714 33.637 1.00 11.88 ? 72 GLY A C 1 ATOM 1022 O O . GLY A 1 72 ? 5.704 3.856 33.458 1.00 12.82 ? 72 GLY A O 1 ATOM 1023 H H . GLY A 1 72 ? 5.871 0.276 35.253 1.00 12.80 ? 72 GLY A H 1 ATOM 1024 H HA2 . GLY A 1 72 ? 5.460 2.371 35.528 1.00 13.62 ? 72 GLY A HA2 1 ATOM 1025 H HA3 . GLY A 1 72 ? 6.995 2.682 35.463 1.00 13.62 ? 72 GLY A HA3 1 ATOM 1026 N N . ALA A 1 73 ? 6.440 1.910 32.639 1.00 11.94 ? 73 ALA A N 1 ATOM 1027 C CA . ALA A 1 73 ? 6.390 2.368 31.261 1.00 11.84 ? 73 ALA A CA 1 ATOM 1028 C C . ALA A 1 73 ? 4.974 2.295 30.696 1.00 11.73 ? 73 ALA A C 1 ATOM 1029 O O . ALA A 1 73 ? 4.268 1.300 30.858 1.00 12.85 ? 73 ALA A O 1 ATOM 1030 C CB . ALA A 1 73 ? 7.344 1.545 30.407 1.00 12.07 ? 73 ALA A CB 1 ATOM 1031 H H . ALA A 1 73 ? 6.696 1.094 32.732 1.00 14.33 ? 73 ALA A H 1 ATOM 1032 H HA . ALA A 1 73 ? 6.679 3.293 31.226 1.00 14.20 ? 73 ALA A HA 1 ATOM 1033 H HB1 . ALA A 1 73 ? 7.300 1.861 29.491 1.00 14.48 ? 73 ALA A HB1 1 ATOM 1034 H HB2 . ALA A 1 73 ? 8.245 1.650 30.751 1.00 14.48 ? 73 ALA A HB2 1 ATOM 1035 H HB3 . ALA A 1 73 ? 7.080 0.613 30.449 1.00 14.48 ? 73 ALA A HB3 1 ATOM 1036 N N . THR A 1 74 ? 4.568 3.363 30.022 1.00 11.59 ? 74 THR A N 1 ATOM 1037 C CA . THR A 1 74 ? 3.302 3.383 29.297 1.00 11.89 ? 74 THR A CA 1 ATOM 1038 C C . THR A 1 74 ? 3.540 3.921 27.894 1.00 11.27 ? 74 THR A C 1 ATOM 1039 O O . THR A 1 74 ? 4.602 4.472 27.595 1.00 11.68 ? 74 THR A O 1 ATOM 1040 C CB . THR A 1 74 ? 2.255 4.258 30.004 1.00 13.02 ? 74 THR A CB 1 ATOM 1041 O OG1 . THR A 1 74 ? 2.755 5.599 30.125 1.00 14.09 ? 74 THR A OG1 1 ATOM 1042 C CG2 . THR A 1 74 ? 1.925 3.720 31.386 1.00 14.44 ? 74 THR A CG2 1 ATOM 1043 H H . THR A 1 74 ? 5.012 4.098 29.968 1.00 13.91 ? 74 THR A H 1 ATOM 1044 H HA . THR A 1 74 ? 2.954 2.480 29.227 1.00 14.27 ? 74 THR A HA 1 ATOM 1045 H HB . THR A 1 74 ? 1.439 4.267 29.479 1.00 15.62 ? 74 THR A HB 1 ATOM 1046 H HG1 . THR A 1 74 ? 2.912 5.917 29.364 1.00 16.91 ? 74 THR A HG1 1 ATOM 1047 H HG21 . THR A 1 74 ? 1.263 4.287 31.813 1.00 17.33 ? 74 THR A HG21 1 ATOM 1048 H HG22 . THR A 1 74 ? 1.571 2.820 31.316 1.00 17.33 ? 74 THR A HG22 1 ATOM 1049 H HG23 . THR A 1 74 ? 2.725 3.702 31.934 1.00 17.33 ? 74 THR A HG23 1 ATOM 1050 N N . TRP A 1 75 ? 2.549 3.751 27.033 1.00 10.75 ? 75 TRP A N 1 ATOM 1051 C CA . TRP A 1 75 ? 2.646 4.216 25.662 1.00 10.53 ? 75 TRP A CA 1 ATOM 1052 C C . TRP A 1 75 ? 1.265 4.634 25.190 1.00 11.87 ? 75 TRP A C 1 ATOM 1053 O O . TRP A 1 75 ? 0.240 4.179 25.710 1.00 11.52 ? 75 TRP A O 1 ATOM 1054 C CB . TRP A 1 75 ? 3.219 3.134 24.748 1.00 10.20 ? 75 TRP A CB 1 ATOM 1055 C CG . TRP A 1 75 ? 2.368 1.902 24.665 1.00 9.96 ? 75 TRP A CG 1 ATOM 1056 C CD1 . TRP A 1 75 ? 2.314 0.880 25.565 1.00 10.38 ? 75 TRP A CD1 1 ATOM 1057 C CD2 . TRP A 1 75 ? 1.445 1.571 23.629 1.00 9.84 ? 75 TRP A CD2 1 ATOM 1058 N NE1 . TRP A 1 75 ? 1.407 -0.065 25.158 1.00 10.87 ? 75 TRP A NE1 1 ATOM 1059 C CE2 . TRP A 1 75 ? 0.868 0.328 23.964 1.00 10.13 ? 75 TRP A CE2 1 ATOM 1060 C CE3 . TRP A 1 75 ? 1.065 2.192 22.441 1.00 10.64 ? 75 TRP A CE3 1 ATOM 1061 C CZ2 . TRP A 1 75 ? -0.084 -0.292 23.158 1.00 10.33 ? 75 TRP A CZ2 1 ATOM 1062 C CZ3 . TRP A 1 75 ? 0.126 1.575 21.644 1.00 10.75 ? 75 TRP A CZ3 1 ATOM 1063 C CH2 . TRP A 1 75 ? -0.436 0.346 22.000 1.00 10.51 ? 75 TRP A CH2 1 ATOM 1064 H H . TRP A 1 75 ? 1.803 3.366 27.221 1.00 12.90 ? 75 TRP A H 1 ATOM 1065 H HA . TRP A 1 75 ? 3.230 4.990 25.625 1.00 12.64 ? 75 TRP A HA 1 ATOM 1066 H HB2 . TRP A 1 75 ? 3.306 3.496 23.852 1.00 12.24 ? 75 TRP A HB2 1 ATOM 1067 H HB3 . TRP A 1 75 ? 4.091 2.871 25.082 1.00 12.24 ? 75 TRP A HB3 1 ATOM 1068 H HD1 . TRP A 1 75 ? 2.806 0.839 26.354 1.00 12.46 ? 75 TRP A HD1 1 ATOM 1069 H HE1 . TRP A 1 75 ? 1.219 -0.791 25.578 1.00 13.05 ? 75 TRP A HE1 1 ATOM 1070 H HE3 . TRP A 1 75 ? 1.433 3.010 22.195 1.00 12.77 ? 75 TRP A HE3 1 ATOM 1071 H HZ2 . TRP A 1 75 ? -0.457 -1.111 23.392 1.00 12.40 ? 75 TRP A HZ2 1 ATOM 1072 H HZ3 . TRP A 1 75 ? -0.139 1.985 20.852 1.00 12.90 ? 75 TRP A HZ3 1 ATOM 1073 H HH2 . TRP A 1 75 ? -1.069 -0.044 21.441 1.00 12.61 ? 75 TRP A HH2 1 ATOM 1074 N N . SER A 1 76 ? 1.249 5.500 24.191 1.00 11.88 ? 76 SER A N 1 ATOM 1075 C CA . SER A 1 76 ? 0.006 5.977 23.618 1.00 12.84 ? 76 SER A CA 1 ATOM 1076 C C . SER A 1 76 ? 0.330 6.589 22.271 1.00 12.42 ? 76 SER A C 1 ATOM 1077 O O . SER A 1 76 ? 1.214 7.449 22.167 1.00 13.00 ? 76 SER A O 1 ATOM 1078 C CB . SER A 1 76 ? -0.623 7.029 24.528 1.00 14.67 ? 76 SER A CB 1 ATOM 1079 O OG . SER A 1 76 ? -1.822 7.520 23.966 1.00 16.75 ? 76 SER A OG 1 ATOM 1080 H H . SER A 1 76 ? 1.953 5.829 23.824 1.00 14.26 ? 76 SER A H 1 ATOM 1081 H HA . SER A 1 76 ? -0.615 5.242 23.498 1.00 15.41 ? 76 SER A HA 1 ATOM 1082 H HB2 . SER A 1 76 ? -0.818 6.627 25.389 1.00 17.60 ? 76 SER A HB2 1 ATOM 1083 H HB3 . SER A 1 76 ? 0.000 7.765 24.638 1.00 17.60 ? 76 SER A HB3 1 ATOM 1084 H HG . SER A 1 76 ? -2.161 8.098 24.473 1.00 20.10 ? 76 SER A HG 1 ATOM 1085 N N . ILE A 1 77 ? -0.370 6.139 21.241 1.00 11.82 ? 77 ILE A N 1 ATOM 1086 C CA . ILE A 1 77 ? -0.050 6.569 19.892 1.00 12.61 ? 77 ILE A CA 1 ATOM 1087 C C . ILE A 1 77 ? -1.308 6.894 19.127 1.00 15.16 ? 77 ILE A C 1 ATOM 1088 O O . ILE A 1 77 ? -2.365 6.303 19.365 1.00 15.41 ? 77 ILE A O 1 ATOM 1089 C CB . ILE A 1 77 ? 0.789 5.466 19.178 1.00 13.60 ? 77 ILE A CB 1 ATOM 1090 C CG1 . ILE A 1 77 ? 1.435 5.986 17.899 1.00 13.54 ? 77 ILE A CG1 1 ATOM 1091 C CG2 . ILE A 1 77 ? -0.048 4.226 18.923 1.00 14.27 ? 77 ILE A CG2 1 ATOM 1092 C CD1 . ILE A 1 77 ? 2.585 5.101 17.402 1.00 13.42 ? 77 ILE A CD1 1 ATOM 1093 H H . ILE A 1 77 ? -1.029 5.590 21.295 1.00 14.19 ? 77 ILE A H 1 ATOM 1094 H HA . ILE A 1 77 ? 0.489 7.373 19.937 1.00 15.14 ? 77 ILE A HA 1 ATOM 1095 H HB . ILE A 1 77 ? 1.505 5.212 19.781 1.00 16.32 ? 77 ILE A HB 1 ATOM 1096 H HG12 . ILE A 1 77 ? 0.764 6.024 17.200 1.00 16.25 ? 77 ILE A HG12 1 ATOM 1097 H HG13 . ILE A 1 77 ? 1.791 6.873 18.064 1.00 16.25 ? 77 ILE A HG13 1 ATOM 1098 H HG21 . ILE A 1 77 ? 0.500 3.561 18.480 1.00 17.13 ? 77 ILE A HG21 1 ATOM 1099 H HG22 . ILE A 1 77 ? -0.367 3.881 19.772 1.00 17.13 ? 77 ILE A HG22 1 ATOM 1100 H HG23 . ILE A 1 77 ? -0.801 4.464 18.360 1.00 17.13 ? 77 ILE A HG23 1 ATOM 1101 H HD11 . ILE A 1 77 ? 2.243 4.211 17.222 1.00 16.10 ? 77 ILE A HD11 1 ATOM 1102 H HD12 . ILE A 1 77 ? 2.950 5.486 16.590 1.00 16.10 ? 77 ILE A HD12 1 ATOM 1103 H HD13 . ILE A 1 77 ? 3.270 5.060 18.087 1.00 16.10 ? 77 ILE A HD13 1 ATOM 1104 N N . SER A 1 78 ? -1.188 7.884 18.252 1.00 16.69 ? 78 SER A N 1 ATOM 1105 C CA A SER A 1 78 ? -2.257 8.226 17.327 0.39 18.18 ? 78 SER A CA 1 ATOM 1106 C CA B SER A 1 78 ? -2.256 8.238 17.329 0.61 18.78 ? 78 SER A CA 1 ATOM 1107 C C . SER A 1 78 ? -1.672 8.298 15.930 1.00 18.62 ? 78 SER A C 1 ATOM 1108 O O . SER A 1 78 ? -0.597 8.879 15.721 1.00 20.32 ? 78 SER A O 1 ATOM 1109 C CB A SER A 1 78 ? -2.885 9.564 17.700 0.39 19.05 ? 78 SER A CB 1 ATOM 1110 C CB B SER A 1 78 ? -2.859 9.591 17.696 0.61 20.93 ? 78 SER A CB 1 ATOM 1111 O OG A SER A 1 78 ? -1.911 10.587 17.686 0.39 19.85 ? 78 SER A OG 1 ATOM 1112 O OG B SER A 1 78 ? -3.308 9.601 19.041 0.61 22.99 ? 78 SER A OG 1 ATOM 1113 H H A SER A 1 78 ? -0.489 8.379 18.174 0.39 20.03 ? 78 SER A H 1 ATOM 1114 H H B SER A 1 78 ? -0.486 8.374 18.173 0.61 20.03 ? 78 SER A H 1 ATOM 1115 H HA A SER A 1 78 ? -2.943 7.541 17.346 0.39 21.81 ? 78 SER A HA 1 ATOM 1116 H HA B SER A 1 78 ? -2.953 7.564 17.352 0.61 22.54 ? 78 SER A HA 1 ATOM 1117 H HB2 A SER A 1 78 ? -3.579 9.778 17.057 0.39 22.86 ? 78 SER A HB2 1 ATOM 1118 H HB2 B SER A 1 78 ? -2.184 10.278 17.584 0.61 25.12 ? 78 SER A HB2 1 ATOM 1119 H HB3 A SER A 1 78 ? -3.264 9.499 18.590 0.39 22.86 ? 78 SER A HB3 1 ATOM 1120 H HB3 B SER A 1 78 ? -3.613 9.769 17.112 0.61 25.12 ? 78 SER A HB3 1 ATOM 1121 H HG A SER A 1 78 ? -1.303 10.412 18.238 0.39 23.82 ? 78 SER A HG 1 ATOM 1122 H HG B SER A 1 78 ? -2.664 9.448 19.559 0.61 27.59 ? 78 SER A HG 1 ATOM 1123 N N . TYR A 1 79 ? -2.377 7.705 14.980 1.00 17.54 ? 79 TYR A N 1 ATOM 1124 C CA . TYR A 1 79 ? -1.883 7.606 13.617 1.00 17.38 ? 79 TYR A CA 1 ATOM 1125 C C . TYR A 1 79 ? -2.560 8.607 12.697 1.00 20.10 ? 79 TYR A C 1 ATOM 1126 O O . TYR A 1 79 ? -3.573 9.208 13.053 1.00 20.15 ? 79 TYR A O 1 ATOM 1127 C CB . TYR A 1 79 ? -2.091 6.183 13.102 1.00 15.65 ? 79 TYR A CB 1 ATOM 1128 C CG . TYR A 1 79 ? -1.307 5.139 13.876 1.00 14.62 ? 79 TYR A CG 1 ATOM 1129 C CD1 . TYR A 1 79 ? 0.044 4.945 13.629 1.00 13.63 ? 79 TYR A CD1 1 ATOM 1130 C CD2 . TYR A 1 79 ? -1.909 4.365 14.853 1.00 13.20 ? 79 TYR A CD2 1 ATOM 1131 C CE1 . TYR A 1 79 ? 0.776 3.976 14.328 1.00 12.38 ? 79 TYR A CE1 1 ATOM 1132 C CE2 . TYR A 1 79 ? -1.188 3.399 15.559 1.00 12.52 ? 79 TYR A CE2 1 ATOM 1133 C CZ . TYR A 1 79 ? 0.152 3.220 15.297 1.00 11.89 ? 79 TYR A CZ 1 ATOM 1134 O OH . TYR A 1 79 ? 0.851 2.263 15.994 1.00 11.41 ? 79 TYR A OH 1 ATOM 1135 H H . TYR A 1 79 ? -3.150 7.348 15.099 1.00 21.05 ? 79 TYR A H 1 ATOM 1136 H HA . TYR A 1 79 ? -0.931 7.791 13.612 1.00 20.85 ? 79 TYR A HA 1 ATOM 1137 H HB2 . TYR A 1 79 ? -3.033 5.960 13.171 1.00 18.78 ? 79 TYR A HB2 1 ATOM 1138 H HB3 . TYR A 1 79 ? -1.809 6.141 12.175 1.00 18.78 ? 79 TYR A HB3 1 ATOM 1139 H HD1 . TYR A 1 79 ? 0.466 5.453 12.976 1.00 16.36 ? 79 TYR A HD1 1 ATOM 1140 H HD2 . TYR A 1 79 ? -2.814 4.481 15.034 1.00 15.85 ? 79 TYR A HD2 1 ATOM 1141 H HE1 . TYR A 1 79 ? 1.681 3.855 14.150 1.00 14.86 ? 79 TYR A HE1 1 ATOM 1142 H HE2 . TYR A 1 79 ? -1.609 2.885 16.210 1.00 15.03 ? 79 TYR A HE2 1 ATOM 1143 H HH . TYR A 1 79 ? 0.346 1.884 16.548 1.00 13.69 ? 79 TYR A HH 1 ATOM 1144 N N . GLY A 1 80 ? -1.986 8.780 11.511 1.00 21.60 ? 80 GLY A N 1 ATOM 1145 C CA . GLY A 1 80 ? -2.457 9.773 10.565 1.00 23.38 ? 80 GLY A CA 1 ATOM 1146 C C . GLY A 1 80 ? -3.895 9.576 10.138 1.00 24.64 ? 80 GLY A C 1 ATOM 1147 O O . GLY A 1 80 ? -4.556 10.530 9.711 1.00 26.59 ? 80 GLY A O 1 ATOM 1148 H H . GLY A 1 80 ? -1.311 8.327 11.231 1.00 25.92 ? 80 GLY A H 1 ATOM 1149 H HA2 . GLY A 1 80 ? -2.377 10.654 10.961 1.00 28.05 ? 80 GLY A HA2 1 ATOM 1150 H HA3 . GLY A 1 80 ? -1.900 9.745 9.771 1.00 28.05 ? 80 GLY A HA3 1 ATOM 1151 N N . ASP A 1 81 ? -4.384 8.344 10.249 1.00 24.92 ? 81 ASP A N 1 ATOM 1152 C CA . ASP A 1 81 ? -5.753 8.029 9.855 1.00 25.00 ? 81 ASP A CA 1 ATOM 1153 C C . ASP A 1 81 ? -6.747 8.247 10.996 1.00 24.09 ? 81 ASP A C 1 ATOM 1154 O O . ASP A 1 81 ? -7.939 7.984 10.840 1.00 25.00 ? 81 ASP A O 1 ATOM 1155 C CB . ASP A 1 81 ? -5.854 6.593 9.312 1.00 25.81 ? 81 ASP A CB 1 ATOM 1156 C CG . ASP A 1 81 ? -5.647 5.530 10.382 1.00 26.22 ? 81 ASP A CG 1 ATOM 1157 O OD1 . ASP A 1 81 ? -5.220 5.869 11.506 1.00 25.37 ? 81 ASP A OD1 1 ATOM 1158 O OD2 . ASP A 1 81 ? -5.902 4.340 10.085 1.00 27.43 ? 81 ASP A OD2 1 ATOM 1159 H H . ASP A 1 81 ? -3.941 7.672 10.551 1.00 29.90 ? 81 ASP A H 1 ATOM 1160 H HA . ASP A 1 81 ? -6.007 8.627 9.135 1.00 30.00 ? 81 ASP A HA 1 ATOM 1161 H HB2 . ASP A 1 81 ? -6.735 6.462 8.929 1.00 30.97 ? 81 ASP A HB2 1 ATOM 1162 H HB3 . ASP A 1 81 ? -5.175 6.466 8.631 1.00 30.97 ? 81 ASP A HB3 1 ATOM 1163 N N . GLY A 1 82 ? -6.264 8.734 12.137 1.00 22.25 ? 82 GLY A N 1 ATOM 1164 C CA . GLY A 1 82 ? -7.128 9.030 13.264 1.00 21.61 ? 82 GLY A CA 1 ATOM 1165 C C . GLY A 1 82 ? -7.283 7.886 14.249 1.00 20.15 ? 82 GLY A C 1 ATOM 1166 O O . GLY A 1 82 ? -7.926 8.046 15.282 1.00 21.43 ? 82 GLY A O 1 ATOM 1167 H H . GLY A 1 82 ? -5.432 8.902 12.280 1.00 26.70 ? 82 GLY A H 1 ATOM 1168 H HA2 . GLY A 1 82 ? -6.771 9.794 13.744 1.00 25.93 ? 82 GLY A HA2 1 ATOM 1169 H HA3 . GLY A 1 82 ? -8.009 9.265 12.934 1.00 25.93 ? 82 GLY A HA3 1 ATOM 1170 N N . SER A 1 83 ? -6.688 6.735 13.945 1.00 17.63 ? 83 SER A N 1 ATOM 1171 C CA . SER A 1 83 ? -6.754 5.591 14.848 1.00 16.45 ? 83 SER A CA 1 ATOM 1172 C C . SER A 1 83 ? -5.737 5.758 15.977 1.00 15.62 ? 83 SER A C 1 ATOM 1173 O O . SER A 1 83 ? -4.838 6.593 15.894 1.00 16.47 ? 83 SER A O 1 ATOM 1174 C CB . SER A 1 83 ? -6.499 4.290 14.090 1.00 16.69 ? 83 SER A CB 1 ATOM 1175 O OG . SER A 1 83 ? -5.175 4.238 13.593 1.00 17.57 ? 83 SER A OG 1 ATOM 1176 H H . SER A 1 83 ? -6.241 6.592 13.225 1.00 21.16 ? 83 SER A H 1 ATOM 1177 H HA . SER A 1 83 ? -7.640 5.544 15.241 1.00 19.74 ? 83 SER A HA 1 ATOM 1178 H HB2 . SER A 1 83 ? -6.638 3.542 14.693 1.00 20.03 ? 83 SER A HB2 1 ATOM 1179 H HB3 . SER A 1 83 ? -7.117 4.233 13.345 1.00 20.03 ? 83 SER A HB3 1 ATOM 1180 H HG . SER A 1 83 ? -5.051 3.517 13.179 1.00 21.09 ? 83 SER A HG 1 ATOM 1181 N N . SER A 1 84 ? -5.871 4.946 17.021 1.00 14.88 ? 84 SER A N 1 ATOM 1182 C CA . SER A 1 84 ? -5.037 5.088 18.205 1.00 14.29 ? 84 SER A CA 1 ATOM 1183 C C . SER A 1 84 ? -5.055 3.836 19.059 1.00 14.29 ? 84 SER A C 1 ATOM 1184 O O . SER A 1 84 ? -5.924 2.968 18.909 1.00 14.69 ? 84 SER A O 1 ATOM 1185 C CB . SER A 1 84 ? -5.506 6.282 19.044 1.00 15.87 ? 84 SER A CB 1 ATOM 1186 O OG . SER A 1 84 ? -6.827 6.091 19.513 1.00 17.52 ? 84 SER A OG 1 ATOM 1187 H H . SER A 1 84 ? -6.441 4.303 17.067 1.00 17.85 ? 84 SER A H 1 ATOM 1188 H HA . SER A 1 84 ? -4.121 5.252 17.930 1.00 17.15 ? 84 SER A HA 1 ATOM 1189 H HB2 . SER A 1 84 ? -4.913 6.384 19.805 1.00 19.05 ? 84 SER A HB2 1 ATOM 1190 H HB3 . SER A 1 84 ? -5.479 7.082 18.495 1.00 19.05 ? 84 SER A HB3 1 ATOM 1191 H HG . SER A 1 84 ? -6.865 5.401 19.991 1.00 21.02 ? 84 SER A HG 1 ATOM 1192 N N . SER A 1 85 ? -4.078 3.757 19.954 1.00 13.50 ? 85 SER A N 1 ATOM 1193 C CA . SER A 1 85 ? -3.986 2.670 20.907 1.00 12.29 ? 85 SER A CA 1 ATOM 1194 C C . SER A 1 85 ? -3.048 3.087 22.036 1.00 11.73 ? 85 SER A C 1 ATOM 1195 O O . SER A 1 85 ? -2.281 4.048 21.892 1.00 12.15 ? 85 SER A O 1 ATOM 1196 C CB . SER A 1 85 ? -3.520 1.381 20.223 1.00 13.01 ? 85 SER A CB 1 ATOM 1197 O OG . SER A 1 85 ? -2.324 1.586 19.489 1.00 13.45 ? 85 SER A OG 1 ATOM 1198 H H . SER A 1 85 ? -3.445 4.335 20.027 1.00 16.21 ? 85 SER A H 1 ATOM 1199 H HA . SER A 1 85 ? -4.863 2.508 21.288 1.00 14.75 ? 85 SER A HA 1 ATOM 1200 H HB2 . SER A 1 85 ? -3.360 0.706 20.901 1.00 15.61 ? 85 SER A HB2 1 ATOM 1201 H HB3 . SER A 1 85 ? -4.213 1.080 19.615 1.00 15.61 ? 85 SER A HB3 1 ATOM 1202 H HG . SER A 1 85 ? -1.713 1.846 20.003 1.00 16.13 ? 85 SER A HG 1 ATOM 1203 N N . SER A 1 86 ? -3.116 2.380 23.162 1.00 11.44 ? 86 SER A N 1 ATOM 1204 C CA . SER A 1 86 ? -2.300 2.717 24.321 1.00 11.08 ? 86 SER A CA 1 ATOM 1205 C C . SER A 1 86 ? -2.253 1.551 25.283 1.00 10.79 ? 86 SER A C 1 ATOM 1206 O O . SER A 1 86 ? -3.079 0.643 25.214 1.00 10.93 ? 86 SER A O 1 ATOM 1207 C CB . SER A 1 86 ? -2.874 3.942 25.049 1.00 11.86 ? 86 SER A CB 1 ATOM 1208 O OG . SER A 1 86 ? -4.194 3.662 25.516 1.00 13.85 ? 86 SER A OG 1 ATOM 1209 H H . SER A 1 86 ? -3.628 1.699 23.279 1.00 13.73 ? 86 SER A H 1 ATOM 1210 H HA . SER A 1 86 ? -1.396 2.921 24.036 1.00 13.30 ? 86 SER A HA 1 ATOM 1211 H HB2 . SER A 1 86 ? -2.308 4.156 25.807 1.00 14.24 ? 86 SER A HB2 1 ATOM 1212 H HB3 . SER A 1 86 ? -2.907 4.691 24.434 1.00 14.24 ? 86 SER A HB3 1 ATOM 1213 H HG . SER A 1 86 ? -4.506 4.333 25.913 1.00 16.62 ? 86 SER A HG 1 ATOM 1214 N N . GLY A 1 87 ? -1.286 1.582 26.188 1.00 10.83 ? 87 GLY A N 1 ATOM 1215 C CA . GLY A 1 87 ? -1.176 0.541 27.187 1.00 10.46 ? 87 GLY A CA 1 ATOM 1216 C C . GLY A 1 87 ? 0.112 0.593 27.967 1.00 11.34 ? 87 GLY A C 1 ATOM 1217 O O . GLY A 1 87 ? 0.662 1.672 28.196 1.00 11.42 ? 87 GLY A O 1 ATOM 1218 H H . GLY A 1 87 ? -0.684 2.194 26.242 1.00 13.00 ? 87 GLY A H 1 ATOM 1219 H HA2 . GLY A 1 87 ? -1.913 0.620 27.813 1.00 12.55 ? 87 GLY A HA2 1 ATOM 1220 H HA3 . GLY A 1 87 ? -1.234 -0.325 26.755 1.00 12.55 ? 87 GLY A HA3 1 ATOM 1221 N N . ASP A 1 88 ? 0.567 -0.578 28.409 1.00 11.75 ? 88 ASP A N 1 ATOM 1222 C CA . ASP A 1 88 ? 1.806 -0.694 29.172 1.00 11.89 ? 88 ASP A CA 1 ATOM 1223 C C . ASP A 1 88 ? 2.810 -1.537 28.375 1.00 10.29 ? 88 ASP A C 1 ATOM 1224 O O . ASP A 1 88 ? 2.582 -1.811 27.199 1.00 10.22 ? 88 ASP A O 1 ATOM 1225 C CB . ASP A 1 88 ? 1.537 -1.195 30.596 1.00 13.26 ? 88 ASP A CB 1 ATOM 1226 C CG . ASP A 1 88 ? 0.804 -2.500 30.647 1.00 15.43 ? 88 ASP A CG 1 ATOM 1227 O OD1 . ASP A 1 88 ? 0.717 -3.189 29.615 1.00 14.51 ? 88 ASP A OD1 1 ATOM 1228 O OD2 . ASP A 1 88 ? 0.314 -2.848 31.743 1.00 18.35 ? 88 ASP A OD2 1 ATOM 1229 H H . ASP A 1 88 ? 0.170 -1.329 28.277 1.00 14.10 ? 88 ASP A H 1 ATOM 1230 H HA . ASP A 1 88 ? 2.189 0.193 29.255 1.00 14.27 ? 88 ASP A HA 1 ATOM 1231 H HB2 . ASP A 1 88 ? 2.385 -1.313 31.052 1.00 15.91 ? 88 ASP A HB2 1 ATOM 1232 H HB3 . ASP A 1 88 ? 1.001 -0.535 31.064 1.00 15.91 ? 88 ASP A HB3 1 ATOM 1233 N N . VAL A 1 89 ? 3.941 -1.893 28.979 1.00 10.33 ? 89 VAL A N 1 ATOM 1234 C CA . VAL A 1 89 ? 5.064 -2.422 28.208 1.00 9.99 ? 89 VAL A CA 1 ATOM 1235 C C . VAL A 1 89 ? 5.736 -3.592 28.899 1.00 9.93 ? 89 VAL A C 1 ATOM 1236 O O . VAL A 1 89 ? 5.965 -3.557 30.107 1.00 10.23 ? 89 VAL A O 1 ATOM 1237 C CB . VAL A 1 89 ? 6.145 -1.331 27.956 1.00 10.37 ? 89 VAL A CB 1 ATOM 1238 C CG1 . VAL A 1 89 ? 7.215 -1.827 26.998 1.00 11.43 ? 89 VAL A CG1 1 ATOM 1239 C CG2 . VAL A 1 89 ? 5.534 -0.009 27.415 1.00 10.61 ? 89 VAL A CG2 1 ATOM 1240 H H . VAL A 1 89 ? 4.084 -1.838 29.825 1.00 12.40 ? 89 VAL A H 1 ATOM 1241 H HA . VAL A 1 89 ? 4.740 -2.729 27.346 1.00 11.99 ? 89 VAL A HA 1 ATOM 1242 H HB . VAL A 1 89 ? 6.580 -1.128 28.799 1.00 12.44 ? 89 VAL A HB 1 ATOM 1243 H HG11 . VAL A 1 89 ? 7.869 -1.124 26.865 1.00 13.72 ? 89 VAL A HG11 1 ATOM 1244 H HG12 . VAL A 1 89 ? 7.642 -2.609 27.381 1.00 13.72 ? 89 VAL A HG12 1 ATOM 1245 H HG13 . VAL A 1 89 ? 6.799 -2.058 26.153 1.00 13.72 ? 89 VAL A HG13 1 ATOM 1246 H HG21 . VAL A 1 89 ? 4.573 -0.115 27.334 1.00 12.73 ? 89 VAL A HG21 1 ATOM 1247 H HG22 . VAL A 1 89 ? 5.737 0.709 28.034 1.00 12.73 ? 89 VAL A HG22 1 ATOM 1248 H HG23 . VAL A 1 89 ? 5.920 0.184 26.546 1.00 12.73 ? 89 VAL A HG23 1 ATOM 1249 N N . TYR A 1 90 ? 6.073 -4.605 28.103 1.00 10.35 ? 90 TYR A N 1 ATOM 1250 C CA . TYR A 1 90 ? 6.873 -5.748 28.533 1.00 11.03 ? 90 TYR A CA 1 ATOM 1251 C C . TYR A 1 90 ? 8.127 -5.753 27.687 1.00 11.17 ? 90 TYR A C 1 ATOM 1252 O O . TYR A 1 90 ? 8.132 -5.207 26.580 1.00 13.55 ? 90 TYR A O 1 ATOM 1253 C CB . TYR A 1 90 ? 6.086 -7.062 28.346 1.00 11.75 ? 90 TYR A CB 1 ATOM 1254 C CG . TYR A 1 90 ? 4.918 -7.124 29.283 1.00 12.37 ? 90 TYR A CG 1 ATOM 1255 C CD1 . TYR A 1 90 ? 3.713 -6.510 28.968 1.00 12.58 ? 90 TYR A CD1 1 ATOM 1256 C CD2 . TYR A 1 90 ? 5.037 -7.740 30.515 1.00 12.77 ? 90 TYR A CD2 1 ATOM 1257 C CE1 . TYR A 1 90 ? 2.652 -6.522 29.859 1.00 13.59 ? 90 TYR A CE1 1 ATOM 1258 C CE2 . TYR A 1 90 ? 3.997 -7.753 31.413 1.00 13.79 ? 90 TYR A CE2 1 ATOM 1259 C CZ . TYR A 1 90 ? 2.803 -7.148 31.088 1.00 14.52 ? 90 TYR A CZ 1 ATOM 1260 O OH . TYR A 1 90 ? 1.782 -7.171 32.015 1.00 16.57 ? 90 TYR A OH 1 ATOM 1261 H H . TYR A 1 90 ? 5.839 -4.652 27.277 1.00 12.42 ? 90 TYR A H 1 ATOM 1262 H HA . TYR A 1 90 ? 7.118 -5.653 29.466 1.00 13.24 ? 90 TYR A HA 1 ATOM 1263 H HB2 . TYR A 1 90 ? 5.752 -7.110 27.436 1.00 14.09 ? 90 TYR A HB2 1 ATOM 1264 H HB3 . TYR A 1 90 ? 6.669 -7.815 28.532 1.00 14.09 ? 90 TYR A HB3 1 ATOM 1265 H HD1 . TYR A 1 90 ? 3.619 -6.080 28.149 1.00 15.10 ? 90 TYR A HD1 1 ATOM 1266 H HD2 . TYR A 1 90 ? 5.844 -8.138 30.749 1.00 15.33 ? 90 TYR A HD2 1 ATOM 1267 H HE1 . TYR A 1 90 ? 1.849 -6.108 29.638 1.00 16.31 ? 90 TYR A HE1 1 ATOM 1268 H HE2 . TYR A 1 90 ? 4.097 -8.173 32.236 1.00 16.55 ? 90 TYR A HE2 1 ATOM 1269 H HH . TYR A 1 90 ? 1.110 -6.767 31.713 1.00 19.88 ? 90 TYR A HH 1 ATOM 1270 N N . THR A 1 91 ? 9.195 -6.338 28.193 1.00 10.73 ? 91 THR A N 1 ATOM 1271 C CA . THR A 1 91 ? 10.279 -6.748 27.307 1.00 11.03 ? 91 THR A CA 1 ATOM 1272 C C . THR A 1 91 ? 10.168 -8.250 27.108 1.00 10.27 ? 91 THR A C 1 ATOM 1273 O O . THR A 1 91 ? 9.754 -8.986 28.015 1.00 11.01 ? 91 THR A O 1 ATOM 1274 C CB . THR A 1 91 ? 11.685 -6.366 27.820 1.00 13.57 ? 91 THR A CB 1 ATOM 1275 O OG1 . THR A 1 91 ? 11.887 -6.904 29.127 1.00 13.78 ? 91 THR A OG1 1 ATOM 1276 C CG2 . THR A 1 91 ? 11.850 -4.870 27.861 1.00 14.23 ? 91 THR A CG2 1 ATOM 1277 H H . THR A 1 91 ? 9.322 -6.509 29.026 1.00 12.87 ? 91 THR A H 1 ATOM 1278 H HA . THR A 1 91 ? 10.154 -6.324 26.444 1.00 13.23 ? 91 THR A HA 1 ATOM 1279 H HB . THR A 1 91 ? 12.353 -6.729 27.218 1.00 16.28 ? 91 THR A HB 1 ATOM 1280 H HG1 . THR A 1 91 ? 11.311 -6.599 29.656 1.00 16.54 ? 91 THR A HG1 1 ATOM 1281 H HG21 . THR A 1 91 ? 11.189 -4.480 28.454 1.00 17.07 ? 91 THR A HG21 1 ATOM 1282 H HG22 . THR A 1 91 ? 12.736 -4.643 28.184 1.00 17.07 ? 91 THR A HG22 1 ATOM 1283 H HG23 . THR A 1 91 ? 11.734 -4.499 26.972 1.00 17.07 ? 91 THR A HG23 1 ATOM 1284 N N . ASP A 1 92 ? 10.509 -8.705 25.909 1.00 9.96 ? 92 ASP A N 1 ATOM 1285 C CA . ASP A 1 92 ? 10.461 -10.127 25.607 1.00 9.44 ? 92 ASP A CA 1 ATOM 1286 C C . ASP A 1 92 ? 11.312 -10.386 24.369 1.00 9.34 ? 92 ASP A C 1 ATOM 1287 O O . ASP A 1 92 ? 11.796 -9.454 23.711 1.00 9.84 ? 92 ASP A O 1 ATOM 1288 C CB . ASP A 1 92 ? 9.004 -10.576 25.391 1.00 9.47 ? 92 ASP A CB 1 ATOM 1289 C CG . ASP A 1 92 ? 8.756 -12.025 25.773 1.00 9.86 ? 92 ASP A CG 1 ATOM 1290 O OD1 . ASP A 1 92 ? 9.722 -12.827 25.826 1.00 10.48 ? 92 ASP A OD1 1 ATOM 1291 O OD2 . ASP A 1 92 ? 7.571 -12.368 26.009 1.00 10.13 ? 92 ASP A OD2 1 ATOM 1292 H H . ASP A 1 92 ? 10.771 -8.212 25.255 1.00 11.95 ? 92 ASP A H 1 ATOM 1293 H HA . ASP A 1 92 ? 10.833 -10.630 26.349 1.00 11.32 ? 92 ASP A HA 1 ATOM 1294 H HB2 . ASP A 1 92 ? 8.421 -10.022 25.934 1.00 11.37 ? 92 ASP A HB2 1 ATOM 1295 H HB3 . ASP A 1 92 ? 8.779 -10.472 24.454 1.00 11.37 ? 92 ASP A HB3 1 ATOM 1296 N N . THR A 1 93 ? 11.476 -11.664 24.050 1.00 9.60 ? 93 THR A N 1 ATOM 1297 C CA . THR A 1 93 ? 12.185 -12.089 22.857 1.00 9.66 ? 93 THR A CA 1 ATOM 1298 C C . THR A 1 93 ? 11.257 -12.020 21.650 1.00 9.56 ? 93 THR A C 1 ATOM 1299 O O . THR A 1 93 ? 10.131 -12.525 21.696 1.00 11.09 ? 93 THR A O 1 ATOM 1300 C CB . THR A 1 93 ? 12.687 -13.506 23.052 1.00 11.74 ? 93 THR A CB 1 ATOM 1301 O OG1 . THR A 1 93 ? 13.532 -13.503 24.206 1.00 13.21 ? 93 THR A OG1 1 ATOM 1302 C CG2 . THR A 1 93 ? 13.466 -13.975 21.830 1.00 13.36 ? 93 THR A CG2 1 ATOM 1303 H H . THR A 1 93 ? 11.177 -12.317 24.523 1.00 11.52 ? 93 THR A H 1 ATOM 1304 H HA . THR A 1 93 ? 12.945 -11.507 22.701 1.00 11.59 ? 93 THR A HA 1 ATOM 1305 H HB . THR A 1 93 ? 11.936 -14.104 23.195 1.00 14.09 ? 93 THR A HB 1 ATOM 1306 H HG1 . THR A 1 93 ? 13.830 -14.276 24.345 1.00 15.85 ? 93 THR A HG1 1 ATOM 1307 H HG21 . THR A 1 93 ? 12.896 -13.954 21.045 1.00 16.03 ? 93 THR A HG21 1 ATOM 1308 H HG22 . THR A 1 93 ? 14.229 -13.395 21.681 1.00 16.03 ? 93 THR A HG22 1 ATOM 1309 H HG23 . THR A 1 93 ? 13.781 -14.882 21.966 1.00 16.03 ? 93 THR A HG23 1 ATOM 1310 N N . VAL A 1 94 ? 11.727 -11.373 20.589 1.00 8.95 ? 94 VAL A N 1 ATOM 1311 C CA . VAL A 1 94 ? 10.941 -11.191 19.378 1.00 8.68 ? 94 VAL A CA 1 ATOM 1312 C C . VAL A 1 94 ? 11.768 -11.656 18.188 1.00 8.86 ? 94 VAL A C 1 ATOM 1313 O O . VAL A 1 94 ? 12.922 -11.263 18.046 1.00 9.35 ? 94 VAL A O 1 ATOM 1314 C CB . VAL A 1 94 ? 10.547 -9.709 19.200 1.00 9.06 ? 94 VAL A CB 1 ATOM 1315 C CG1 . VAL A 1 94 ? 9.903 -9.463 17.838 1.00 9.55 ? 94 VAL A CG1 1 ATOM 1316 C CG2 . VAL A 1 94 ? 9.631 -9.282 20.312 1.00 9.73 ? 94 VAL A CG2 1 ATOM 1317 H H . VAL A 1 94 ? 12.512 -11.026 20.547 1.00 10.74 ? 94 VAL A H 1 ATOM 1318 H HA . VAL A 1 94 ? 10.133 -11.726 19.426 1.00 10.42 ? 94 VAL A HA 1 ATOM 1319 H HB . VAL A 1 94 ? 11.348 -9.165 19.252 1.00 10.87 ? 94 VAL A HB 1 ATOM 1320 H HG11 . VAL A 1 94 ? 9.870 -10.300 17.349 1.00 11.46 ? 94 VAL A HG11 1 ATOM 1321 H HG12 . VAL A 1 94 ? 9.005 -9.121 17.971 1.00 11.46 ? 94 VAL A HG12 1 ATOM 1322 H HG13 . VAL A 1 94 ? 10.435 -8.815 17.350 1.00 11.46 ? 94 VAL A HG13 1 ATOM 1323 H HG21 . VAL A 1 94 ? 9.393 -8.350 20.185 1.00 11.68 ? 94 VAL A HG21 1 ATOM 1324 H HG22 . VAL A 1 94 ? 8.832 -9.833 20.291 1.00 11.68 ? 94 VAL A HG22 1 ATOM 1325 H HG23 . VAL A 1 94 ? 10.089 -9.395 21.159 1.00 11.68 ? 94 VAL A HG23 1 ATOM 1326 N N . SER A 1 95 ? 11.181 -12.513 17.353 1.00 8.29 ? 95 SER A N 1 ATOM 1327 C CA . SER A 1 95 ? 11.859 -12.993 16.166 1.00 8.42 ? 95 SER A CA 1 ATOM 1328 C C . SER A 1 95 ? 11.027 -12.735 14.928 1.00 8.17 ? 95 SER A C 1 ATOM 1329 O O . SER A 1 95 ? 9.808 -12.919 14.932 1.00 8.84 ? 95 SER A O 1 ATOM 1330 C CB . SER A 1 95 ? 12.159 -14.490 16.246 1.00 10.71 ? 95 SER A CB 1 ATOM 1331 O OG . SER A 1 95 ? 12.960 -14.800 17.367 1.00 11.80 ? 95 SER A OG 1 ATOM 1332 H H . SER A 1 95 ? 10.388 -12.829 17.457 1.00 9.94 ? 95 SER A H 1 ATOM 1333 H HA . SER A 1 95 ? 12.701 -12.521 16.068 1.00 10.11 ? 95 SER A HA 1 ATOM 1334 H HB2 . SER A 1 95 ? 11.322 -14.974 16.316 1.00 12.85 ? 95 SER A HB2 1 ATOM 1335 H HB3 . SER A 1 95 ? 12.629 -14.759 15.442 1.00 12.85 ? 95 SER A HB3 1 ATOM 1336 H HG . SER A 1 95 ? 12.565 -14.574 18.074 1.00 14.16 ? 95 SER A HG 1 ATOM 1337 N N . VAL A 1 96 ? 11.704 -12.315 13.866 1.00 8.56 ? 96 VAL A N 1 ATOM 1338 C CA . VAL A 1 96 ? 11.090 -12.063 12.577 1.00 8.32 ? 96 VAL A CA 1 ATOM 1339 C C . VAL A 1 96 ? 11.887 -12.828 11.544 1.00 8.15 ? 96 VAL A C 1 ATOM 1340 O O . VAL A 1 96 ? 13.068 -12.554 11.334 1.00 9.19 ? 96 VAL A O 1 ATOM 1341 C CB . VAL A 1 96 ? 11.114 -10.573 12.210 1.00 8.80 ? 96 VAL A CB 1 ATOM 1342 C CG1 . VAL A 1 96 ? 10.567 -10.361 10.809 1.00 9.94 ? 96 VAL A CG1 1 ATOM 1343 C CG2 . VAL A 1 96 ? 10.319 -9.771 13.216 1.00 8.79 ? 96 VAL A CG2 1 ATOM 1344 H H . VAL A 1 96 ? 12.551 -12.165 13.873 1.00 10.27 ? 96 VAL A H 1 ATOM 1345 H HA . VAL A 1 96 ? 10.173 -12.379 12.573 1.00 9.99 ? 96 VAL A HA 1 ATOM 1346 H HB . VAL A 1 96 ? 12.031 -10.256 12.228 1.00 10.56 ? 96 VAL A HB 1 ATOM 1347 H HG11 . VAL A 1 96 ? 10.592 -9.414 10.600 1.00 11.92 ? 96 VAL A HG11 1 ATOM 1348 H HG12 . VAL A 1 96 ? 11.116 -10.854 10.179 1.00 11.92 ? 96 VAL A HG12 1 ATOM 1349 H HG13 . VAL A 1 96 ? 9.653 -10.684 10.775 1.00 11.92 ? 96 VAL A HG13 1 ATOM 1350 H HG21 . VAL A 1 96 ? 9.958 -10.374 13.885 1.00 10.55 ? 96 VAL A HG21 1 ATOM 1351 H HG22 . VAL A 1 96 ? 10.904 -9.122 13.635 1.00 10.55 ? 96 VAL A HG22 1 ATOM 1352 H HG23 . VAL A 1 96 ? 9.596 -9.317 12.755 1.00 10.55 ? 96 VAL A HG23 1 ATOM 1353 N N . GLY A 1 97 ? 11.265 -13.807 10.912 1.00 9.16 ? 97 GLY A N 1 ATOM 1354 C CA . GLY A 1 97 ? 11.904 -14.494 9.807 1.00 10.77 ? 97 GLY A CA 1 ATOM 1355 C C . GLY A 1 97 ? 13.245 -15.110 10.169 1.00 10.16 ? 97 GLY A C 1 ATOM 1356 O O . GLY A 1 97 ? 14.154 -15.140 9.340 1.00 10.03 ? 97 GLY A O 1 ATOM 1357 H H . GLY A 1 97 ? 10.476 -14.091 11.101 1.00 11.00 ? 97 GLY A H 1 ATOM 1358 H HA2 . GLY A 1 97 ? 11.321 -15.202 9.492 1.00 12.92 ? 97 GLY A HA2 1 ATOM 1359 H HA3 . GLY A 1 97 ? 12.044 -13.869 9.080 1.00 12.92 ? 97 GLY A HA3 1 ATOM 1360 N N . GLY A 1 98 ? 13.383 -15.592 11.405 1.00 10.70 ? 98 GLY A N 1 ATOM 1361 C CA . GLY A 1 98 ? 14.628 -16.203 11.851 1.00 11.53 ? 98 GLY A CA 1 ATOM 1362 C C . GLY A 1 98 ? 15.616 -15.292 12.556 1.00 12.12 ? 98 GLY A C 1 ATOM 1363 O O . GLY A 1 98 ? 16.625 -15.771 13.063 1.00 14.28 ? 98 GLY A O 1 ATOM 1364 H H . GLY A 1 98 ? 12.766 -15.575 12.004 1.00 12.84 ? 98 GLY A H 1 ATOM 1365 H HA2 . GLY A 1 98 ? 14.415 -16.930 12.457 1.00 13.84 ? 98 GLY A HA2 1 ATOM 1366 H HA3 . GLY A 1 98 ? 15.078 -16.584 11.081 1.00 13.84 ? 98 GLY A HA3 1 ATOM 1367 N N . LEU A 1 99 ? 15.347 -13.991 12.569 1.00 10.56 ? 99 LEU A N 1 ATOM 1368 C CA . LEU A 1 99 ? 16.195 -13.010 13.239 1.00 9.40 ? 99 LEU A CA 1 ATOM 1369 C C . LEU A 1 99 ? 15.605 -12.706 14.605 1.00 9.65 ? 99 LEU A C 1 ATOM 1370 O O . LEU A 1 99 ? 14.451 -12.309 14.701 1.00 9.89 ? 99 LEU A O 1 ATOM 1371 C CB . LEU A 1 99 ? 16.230 -11.729 12.411 1.00 9.58 ? 99 LEU A CB 1 ATOM 1372 C CG . LEU A 1 99 ? 16.841 -10.493 13.069 1.00 10.59 ? 99 LEU A CG 1 ATOM 1373 C CD1 . LEU A 1 99 ? 18.329 -10.665 13.300 1.00 11.68 ? 99 LEU A CD1 1 ATOM 1374 C CD2 . LEU A 1 99 ? 16.575 -9.300 12.183 1.00 10.95 ? 99 LEU A CD2 1 ATOM 1375 H H . LEU A 1 99 ? 14.660 -13.643 12.187 1.00 12.67 ? 99 LEU A H 1 ATOM 1376 H HA . LEU A 1 99 ? 17.096 -13.354 13.344 1.00 11.28 ? 99 LEU A HA 1 ATOM 1377 H HB2 . LEU A 1 99 ? 16.741 -11.905 11.605 1.00 11.50 ? 99 LEU A HB2 1 ATOM 1378 H HB3 . LEU A 1 99 ? 15.319 -11.502 12.168 1.00 11.50 ? 99 LEU A HB3 1 ATOM 1379 H HG . LEU A 1 99 ? 16.413 -10.339 13.926 1.00 12.71 ? 99 LEU A HG 1 ATOM 1380 H HD11 . LEU A 1 99 ? 18.765 -10.811 12.446 1.00 14.01 ? 99 LEU A HD11 1 ATOM 1381 H HD12 . LEU A 1 99 ? 18.678 -9.863 13.718 1.00 14.01 ? 99 LEU A HD12 1 ATOM 1382 H HD13 . LEU A 1 99 ? 18.471 -11.430 13.880 1.00 14.01 ? 99 LEU A HD13 1 ATOM 1383 H HD21 . LEU A 1 99 ? 15.616 -9.189 12.084 1.00 13.14 ? 99 LEU A HD21 1 ATOM 1384 H HD22 . LEU A 1 99 ? 16.959 -8.510 12.594 1.00 13.14 ? 99 LEU A HD22 1 ATOM 1385 H HD23 . LEU A 1 99 ? 16.982 -9.454 11.316 1.00 13.14 ? 99 LEU A HD23 1 ATOM 1386 N N . THR A 1 100 ? 16.405 -12.881 15.652 1.00 10.04 ? 100 THR A N 1 ATOM 1387 C CA . THR A 1 100 ? 15.931 -12.782 17.020 1.00 11.13 ? 100 THR A CA 1 ATOM 1388 C C . THR A 1 100 ? 16.552 -11.601 17.751 1.00 11.18 ? 100 THR A C 1 ATOM 1389 O O . THR A 1 100 ? 17.771 -11.401 17.708 1.00 12.16 ? 100 THR A O 1 ATOM 1390 C CB . THR A 1 100 ? 16.259 -14.086 17.779 1.00 12.05 ? 100 THR A CB 1 ATOM 1391 O OG1 . THR A 1 100 ? 15.588 -15.177 17.139 1.00 12.63 ? 100 THR A OG1 1 ATOM 1392 C CG2 . THR A 1 100 ? 15.832 -14.022 19.239 1.00 12.85 ? 100 THR A CG2 1 ATOM 1393 H H . THR A 1 100 ? 17.244 -13.061 15.590 1.00 12.05 ? 100 THR A H 1 ATOM 1394 H HA . THR A 1 100 ? 14.968 -12.666 17.018 1.00 13.36 ? 100 THR A HA 1 ATOM 1395 H HB . THR A 1 100 ? 17.216 -14.240 17.750 1.00 14.46 ? 100 THR A HB 1 ATOM 1396 H HG1 . THR A 1 100 ? 15.758 -15.894 17.542 1.00 15.15 ? 100 THR A HG1 1 ATOM 1397 H HG21 . THR A 1 100 ? 16.052 -14.854 19.686 1.00 15.42 ? 100 THR A HG21 1 ATOM 1398 H HG22 . THR A 1 100 ? 16.291 -13.294 19.687 1.00 15.42 ? 100 THR A HG22 1 ATOM 1399 H HG23 . THR A 1 100 ? 14.875 -13.875 19.298 1.00 15.42 ? 100 THR A HG23 1 ATOM 1400 N N . VAL A 1 101 ? 15.693 -10.838 18.421 1.00 10.94 ? 101 VAL A N 1 ATOM 1401 C CA . VAL A 1 101 ? 16.098 -9.779 19.330 1.00 11.56 ? 101 VAL A CA 1 ATOM 1402 C C . VAL A 1 101 ? 15.621 -10.138 20.726 1.00 11.17 ? 101 VAL A C 1 ATOM 1403 O O . VAL A 1 101 ? 14.439 -10.398 20.933 1.00 12.19 ? 101 VAL A O 1 ATOM 1404 C CB . VAL A 1 101 ? 15.484 -8.424 18.903 1.00 11.98 ? 101 VAL A CB 1 ATOM 1405 C CG1 . VAL A 1 101 ? 15.628 -7.362 20.012 1.00 12.39 ? 101 VAL A CG1 1 ATOM 1406 C CG2 . VAL A 1 101 ? 16.119 -7.957 17.596 1.00 13.01 ? 101 VAL A CG2 1 ATOM 1407 H H . VAL A 1 101 ? 14.839 -10.922 18.360 1.00 13.12 ? 101 VAL A H 1 ATOM 1408 H HA . VAL A 1 101 ? 17.065 -9.699 19.337 1.00 13.88 ? 101 VAL A HA 1 ATOM 1409 H HB . VAL A 1 101 ? 14.537 -8.551 18.740 1.00 14.37 ? 101 VAL A HB 1 ATOM 1410 H HG11 . VAL A 1 101 ? 16.082 -7.759 20.772 1.00 14.87 ? 101 VAL A HG11 1 ATOM 1411 H HG12 . VAL A 1 101 ? 16.144 -6.616 19.669 1.00 14.87 ? 101 VAL A HG12 1 ATOM 1412 H HG13 . VAL A 1 101 ? 14.744 -7.060 20.275 1.00 14.87 ? 101 VAL A HG13 1 ATOM 1413 H HG21 . VAL A 1 101 ? 16.775 -8.613 17.312 1.00 15.61 ? 101 VAL A HG21 1 ATOM 1414 H HG22 . VAL A 1 101 ? 15.426 -7.868 16.923 1.00 15.61 ? 101 VAL A HG22 1 ATOM 1415 H HG23 . VAL A 1 101 ? 16.550 -7.100 17.743 1.00 15.61 ? 101 VAL A HG23 1 ATOM 1416 N N . THR A 1 102 ? 16.538 -10.148 21.684 1.00 11.68 ? 102 THR A N 1 ATOM 1417 C CA . THR A 1 102 ? 16.156 -10.284 23.082 1.00 12.69 ? 102 THR A CA 1 ATOM 1418 C C . THR A 1 102 ? 15.964 -8.898 23.697 1.00 12.28 ? 102 THR A C 1 ATOM 1419 O O . THR A 1 102 ? 16.601 -7.932 23.288 1.00 13.51 ? 102 THR A O 1 ATOM 1420 C CB . THR A 1 102 ? 17.198 -11.086 23.876 1.00 14.98 ? 102 THR A CB 1 ATOM 1421 O OG1 . THR A 1 102 ? 18.475 -10.454 23.762 1.00 16.92 ? 102 THR A OG1 1 ATOM 1422 C CG2 . THR A 1 102 ? 17.286 -12.514 23.350 1.00 15.58 ? 102 THR A CG2 1 ATOM 1423 H H . THR A 1 102 ? 17.385 -10.077 21.552 1.00 14.01 ? 102 THR A H 1 ATOM 1424 H HA . THR A 1 102 ? 15.310 -10.755 23.134 1.00 15.23 ? 102 THR A HA 1 ATOM 1425 H HB . THR A 1 102 ? 16.937 -11.118 24.810 1.00 17.98 ? 102 THR A HB 1 ATOM 1426 H HG1 . THR A 1 102 ? 19.050 -10.887 24.195 1.00 20.30 ? 102 THR A HG1 1 ATOM 1427 H HG21 . THR A 1 102 ? 17.545 -12.508 22.415 1.00 18.70 ? 102 THR A HG21 1 ATOM 1428 H HG22 . THR A 1 102 ? 17.946 -13.014 23.856 1.00 18.70 ? 102 THR A HG22 1 ATOM 1429 H HG23 . THR A 1 102 ? 16.425 -12.953 23.436 1.00 18.70 ? 102 THR A HG23 1 ATOM 1430 N N . GLY A 1 103 ? 15.068 -8.805 24.668 1.00 12.05 ? 103 GLY A N 1 ATOM 1431 C CA . GLY A 1 103 ? 14.841 -7.555 25.376 1.00 12.42 ? 103 GLY A CA 1 ATOM 1432 C C . GLY A 1 103 ? 14.122 -6.512 24.547 1.00 11.32 ? 103 GLY A C 1 ATOM 1433 O O . GLY A 1 103 ? 14.226 -5.320 24.833 1.00 12.83 ? 103 GLY A O 1 ATOM 1434 H H . GLY A 1 103 ? 14.576 -9.456 24.939 1.00 14.47 ? 103 GLY A H 1 ATOM 1435 H HA2 . GLY A 1 103 ? 14.311 -7.730 26.169 1.00 14.90 ? 103 GLY A HA2 1 ATOM 1436 H HA3 . GLY A 1 103 ? 15.693 -7.186 25.655 1.00 14.90 ? 103 GLY A HA3 1 ATOM 1437 N N . GLN A 1 104 ? 13.388 -6.934 23.531 1.00 9.90 ? 104 GLN A N 1 ATOM 1438 C CA . GLN A 1 104 ? 12.596 -6.000 22.742 1.00 8.87 ? 104 GLN A CA 1 ATOM 1439 C C . GLN A 1 104 ? 11.404 -5.485 23.546 1.00 9.10 ? 104 GLN A C 1 ATOM 1440 O O . GLN A 1 104 ? 10.706 -6.263 24.205 1.00 9.66 ? 104 GLN A O 1 ATOM 1441 C CB . GLN A 1 104 ? 12.065 -6.705 21.492 1.00 9.62 ? 104 GLN A CB 1 ATOM 1442 C CG . GLN A 1 104 ? 11.124 -5.860 20.642 1.00 9.38 ? 104 GLN A CG 1 ATOM 1443 C CD . GLN A 1 104 ? 11.801 -4.648 20.049 1.00 9.89 ? 104 GLN A CD 1 ATOM 1444 O OE1 . GLN A 1 104 ? 12.918 -4.729 19.540 1.00 11.15 ? 104 GLN A OE1 1 ATOM 1445 N NE2 . GLN A 1 104 ? 11.119 -3.512 20.104 1.00 9.61 ? 104 GLN A NE2 1 ATOM 1446 H H . GLN A 1 104 ? 13.329 -7.753 23.276 1.00 11.88 ? 104 GLN A H 1 ATOM 1447 H HA . GLN A 1 104 ? 13.144 -5.247 22.471 1.00 10.65 ? 104 GLN A HA 1 ATOM 1448 H HB2 . GLN A 1 104 ? 12.818 -6.958 20.935 1.00 11.54 ? 104 GLN A HB2 1 ATOM 1449 H HB3 . GLN A 1 104 ? 11.581 -7.500 21.767 1.00 11.54 ? 104 GLN A HB3 1 ATOM 1450 H HG2 . GLN A 1 104 ? 10.785 -6.402 19.912 1.00 11.26 ? 104 GLN A HG2 1 ATOM 1451 H HG3 . GLN A 1 104 ? 10.389 -5.552 21.196 1.00 11.26 ? 104 GLN A HG3 1 ATOM 1452 H HE21 . GLN A 1 104 ? 11.457 -2.791 19.781 1.00 11.54 ? 104 GLN A HE21 1 ATOM 1453 H HE22 . GLN A 1 104 ? 10.337 -3.497 20.463 1.00 11.54 ? 104 GLN A HE22 1 ATOM 1454 N N . ALA A 1 105 ? 11.160 -4.182 23.477 1.00 8.91 ? 105 ALA A N 1 ATOM 1455 C CA . ALA A 1 105 ? 9.949 -3.607 24.064 1.00 9.19 ? 105 ALA A CA 1 ATOM 1456 C C . ALA A 1 105 ? 8.741 -4.023 23.247 1.00 9.34 ? 105 ALA A C 1 ATOM 1457 O O . ALA A 1 105 ? 8.642 -3.701 22.064 1.00 9.36 ? 105 ALA A O 1 ATOM 1458 C CB . ALA A 1 105 ? 10.040 -2.098 24.127 1.00 10.04 ? 105 ALA A CB 1 ATOM 1459 H H . ALA A 1 105 ? 11.676 -3.608 23.098 1.00 10.69 ? 105 ALA A H 1 ATOM 1460 H HA . ALA A 1 105 ? 9.838 -3.944 24.966 1.00 11.03 ? 105 ALA A HA 1 ATOM 1461 H HB1 . ALA A 1 105 ? 10.803 -1.851 24.673 1.00 12.05 ? 105 ALA A HB1 1 ATOM 1462 H HB2 . ALA A 1 105 ? 10.151 -1.751 23.228 1.00 12.05 ? 105 ALA A HB2 1 ATOM 1463 H HB3 . ALA A 1 105 ? 9.225 -1.749 24.520 1.00 12.05 ? 105 ALA A HB3 1 ATOM 1464 N N . VAL A 1 106 ? 7.839 -4.750 23.900 1.00 9.21 ? 106 VAL A N 1 ATOM 1465 C CA . VAL A 1 106 ? 6.579 -5.196 23.329 1.00 9.11 ? 106 VAL A CA 1 ATOM 1466 C C . VAL A 1 106 ? 5.491 -4.436 24.077 1.00 9.01 ? 106 VAL A C 1 ATOM 1467 O O . VAL A 1 106 ? 5.275 -4.627 25.279 1.00 9.48 ? 106 VAL A O 1 ATOM 1468 C CB . VAL A 1 106 ? 6.399 -6.710 23.472 1.00 9.65 ? 106 VAL A CB 1 ATOM 1469 C CG1 . VAL A 1 106 ? 5.018 -7.126 22.948 1.00 10.07 ? 106 VAL A CG1 1 ATOM 1470 C CG2 . VAL A 1 106 ? 7.525 -7.435 22.760 1.00 10.61 ? 106 VAL A CG2 1 ATOM 1471 H H . VAL A 1 106 ? 7.945 -5.008 24.714 1.00 11.05 ? 106 VAL A H 1 ATOM 1472 H HA . VAL A 1 106 ? 6.539 -4.961 22.389 1.00 10.93 ? 106 VAL A HA 1 ATOM 1473 H HB . VAL A 1 106 ? 6.442 -6.943 24.413 1.00 11.59 ? 106 VAL A HB 1 ATOM 1474 H HG11 . VAL A 1 106 ? 4.549 -6.337 22.635 1.00 12.08 ? 106 VAL A HG11 1 ATOM 1475 H HG12 . VAL A 1 106 ? 5.134 -7.754 22.218 1.00 12.08 ? 106 VAL A HG12 1 ATOM 1476 H HG13 . VAL A 1 106 ? 4.520 -7.544 23.668 1.00 12.08 ? 106 VAL A HG13 1 ATOM 1477 H HG21 . VAL A 1 106 ? 8.122 -6.781 22.364 1.00 12.73 ? 106 VAL A HG21 1 ATOM 1478 H HG22 . VAL A 1 106 ? 8.008 -7.977 23.404 1.00 12.73 ? 106 VAL A HG22 1 ATOM 1479 H HG23 . VAL A 1 106 ? 7.148 -8.001 22.068 1.00 12.73 ? 106 VAL A HG23 1 ATOM 1480 N N . GLU A 1 107 ? 4.830 -3.551 23.347 1.00 8.95 ? 107 GLU A N 1 ATOM 1481 C CA . GLU A 1 107 ? 3.870 -2.638 23.931 1.00 8.98 ? 107 GLU A CA 1 ATOM 1482 C C . GLU A 1 107 ? 2.499 -3.307 23.910 1.00 10.04 ? 107 GLU A C 1 ATOM 1483 O O . GLU A 1 107 ? 1.941 -3.585 22.859 1.00 11.65 ? 107 GLU A O 1 ATOM 1484 C CB . GLU A 1 107 ? 3.897 -1.304 23.168 1.00 8.48 ? 107 GLU A CB 1 ATOM 1485 C CG . GLU A 1 107 ? 5.296 -0.643 23.211 1.00 9.91 ? 107 GLU A CG 1 ATOM 1486 C CD . GLU A 1 107 ? 5.419 0.553 22.322 1.00 9.39 ? 107 GLU A CD 1 ATOM 1487 O OE1 . GLU A 1 107 ? 6.513 0.765 21.753 1.00 9.55 ? 107 GLU A OE1 1 ATOM 1488 O OE2 . GLU A 1 107 ? 4.409 1.281 22.198 1.00 10.37 ? 107 GLU A OE2 1 ATOM 1489 H H . GLU A 1 107 ? 4.923 -3.460 22.497 1.00 10.74 ? 107 GLU A H 1 ATOM 1490 H HA . GLU A 1 107 ? 4.112 -2.465 24.855 1.00 10.77 ? 107 GLU A HA 1 ATOM 1491 H HB2 . GLU A 1 107 ? 3.666 -1.463 22.240 1.00 10.18 ? 107 GLU A HB2 1 ATOM 1492 H HB3 . GLU A 1 107 ? 3.261 -0.693 23.571 1.00 10.18 ? 107 GLU A HB3 1 ATOM 1493 H HG2 . GLU A 1 107 ? 5.480 -0.358 24.120 1.00 11.89 ? 107 GLU A HG2 1 ATOM 1494 H HG3 . GLU A 1 107 ? 5.958 -1.293 22.929 1.00 11.89 ? 107 GLU A HG3 1 ATOM 1495 N N . SER A 1 108 ? 1.984 -3.600 25.092 1.00 9.33 ? 108 SER A N 1 ATOM 1496 C CA . SER A 1 108 ? 0.747 -4.347 25.260 1.00 10.23 ? 108 SER A CA 1 ATOM 1497 C C . SER A 1 108 ? -0.430 -3.383 25.298 1.00 9.97 ? 108 SER A C 1 ATOM 1498 O O . SER A 1 108 ? -0.476 -2.483 26.143 1.00 11.24 ? 108 SER A O 1 ATOM 1499 C CB . SER A 1 108 ? 0.826 -5.126 26.572 1.00 11.72 ? 108 SER A CB 1 ATOM 1500 O OG . SER A 1 108 ? -0.432 -5.660 26.904 1.00 13.80 ? 108 SER A OG 1 ATOM 1501 H H . SER A 1 108 ? 2.345 -3.370 25.837 1.00 11.20 ? 108 SER A H 1 ATOM 1502 H HA . SER A 1 108 ? 0.627 -4.969 24.525 1.00 12.27 ? 108 SER A HA 1 ATOM 1503 H HB2 . SER A 1 108 ? 1.462 -5.852 26.472 1.00 14.07 ? 108 SER A HB2 1 ATOM 1504 H HB3 . SER A 1 108 ? 1.113 -4.528 27.280 1.00 14.07 ? 108 SER A HB3 1 ATOM 1505 H HG . SER A 1 108 ? -0.381 -6.087 27.626 1.00 16.56 ? 108 SER A HG 1 ATOM 1506 N N . ALA A 1 109 ? -1.363 -3.533 24.370 1.00 10.57 ? 109 ALA A N 1 ATOM 1507 C CA . ALA A 1 109 ? -2.508 -2.628 24.320 1.00 10.68 ? 109 ALA A CA 1 ATOM 1508 C C . ALA A 1 109 ? -3.512 -2.909 25.429 1.00 12.04 ? 109 ALA A C 1 ATOM 1509 O O . ALA A 1 109 ? -3.976 -4.038 25.613 1.00 13.44 ? 109 ALA A O 1 ATOM 1510 C CB . ALA A 1 109 ? -3.198 -2.719 22.966 1.00 11.19 ? 109 ALA A CB 1 ATOM 1511 H H . ALA A 1 109 ? -1.361 -4.143 23.763 1.00 12.68 ? 109 ALA A H 1 ATOM 1512 H HA . ALA A 1 109 ? -2.191 -1.718 24.431 1.00 12.81 ? 109 ALA A HA 1 ATOM 1513 H HB1 . ALA A 1 109 ? -3.504 -3.629 22.829 1.00 13.42 ? 109 ALA A HB1 1 ATOM 1514 H HB2 . ALA A 1 109 ? -3.954 -2.110 22.956 1.00 13.42 ? 109 ALA A HB2 1 ATOM 1515 H HB3 . ALA A 1 109 ? -2.566 -2.473 22.273 1.00 13.42 ? 109 ALA A HB3 1 ATOM 1516 N N . LYS A 1 110 ? -3.842 -1.868 26.175 1.00 11.43 ? 110 LYS A N 1 ATOM 1517 C CA . LYS A 1 110 ? -5.007 -1.898 27.055 1.00 13.04 ? 110 LYS A CA 1 ATOM 1518 C C . LYS A 1 110 ? -6.244 -1.386 26.331 1.00 13.06 ? 110 LYS A C 1 ATOM 1519 O O . LYS A 1 110 ? -7.353 -1.845 26.589 1.00 14.33 ? 110 LYS A O 1 ATOM 1520 C CB . LYS A 1 110 ? -4.744 -1.062 28.298 1.00 13.86 ? 110 LYS A CB 1 ATOM 1521 C CG . LYS A 1 110 ? -3.708 -1.698 29.217 1.00 16.28 ? 110 LYS A CG 1 ATOM 1522 C CD . LYS A 1 110 ? -3.372 -0.815 30.406 1.00 19.22 ? 110 LYS A CD 1 ATOM 1523 H H . LYS A 1 110 ? -3.407 -1.126 26.193 1.00 13.71 ? 110 LYS A H 1 ATOM 1524 H HA . LYS A 1 110 ? -5.174 -2.812 27.333 1.00 15.65 ? 110 LYS A HA 1 ATOM 1525 H HB2 . LYS A 1 110 ? -4.415 -0.190 28.030 1.00 16.64 ? 110 LYS A HB2 1 ATOM 1526 H HB3 . LYS A 1 110 ? -5.571 -0.967 28.797 1.00 16.64 ? 110 LYS A HB3 1 ATOM 1527 H HG2 . LYS A 1 110 ? -4.056 -2.538 29.554 1.00 19.54 ? 110 LYS A HG2 1 ATOM 1528 H HG3 . LYS A 1 110 ? -2.892 -1.852 28.716 1.00 19.54 ? 110 LYS A HG3 1 ATOM 1529 N N . LYS A 1 111 ? -6.039 -0.440 25.417 1.00 12.84 ? 111 LYS A N 1 ATOM 1530 C CA . LYS A 1 111 ? -7.120 0.159 24.636 1.00 14.25 ? 111 LYS A CA 1 ATOM 1531 C C . LYS A 1 111 ? -6.692 0.271 23.182 1.00 13.38 ? 111 LYS A C 1 ATOM 1532 O O . LYS A 1 111 ? -5.542 0.588 22.897 1.00 13.11 ? 111 LYS A O 1 ATOM 1533 C CB . LYS A 1 111 ? -7.445 1.566 25.146 1.00 17.24 ? 111 LYS A CB 1 ATOM 1534 C CG . LYS A 1 111 ? -7.897 1.629 26.587 1.00 20.81 ? 111 LYS A CG 1 ATOM 1535 C CD . LYS A 1 111 ? -8.287 3.040 26.996 1.00 24.00 ? 111 LYS A CD 1 ATOM 1536 C CE . LYS A 1 111 ? -7.130 4.006 26.861 1.00 25.67 ? 111 LYS A CE 1 ATOM 1537 H H . LYS A 1 111 ? -5.263 -0.121 25.226 1.00 15.41 ? 111 LYS A H 1 ATOM 1538 H HA . LYS A 1 111 ? -7.917 -0.392 24.691 1.00 17.10 ? 111 LYS A HA 1 ATOM 1539 H HB2 . LYS A 1 111 ? -6.651 2.116 25.064 1.00 20.69 ? 111 LYS A HB2 1 ATOM 1540 H HB3 . LYS A 1 111 ? -8.156 1.936 24.600 1.00 20.69 ? 111 LYS A HB3 1 ATOM 1541 H HG2 . LYS A 1 111 ? -8.670 1.055 26.704 1.00 24.97 ? 111 LYS A HG2 1 ATOM 1542 H HG3 . LYS A 1 111 ? -7.172 1.336 27.161 1.00 24.97 ? 111 LYS A HG3 1 ATOM 1543 H HD2 . LYS A 1 111 ? -9.008 3.350 26.426 1.00 28.80 ? 111 LYS A HD2 1 ATOM 1544 H HD3 . LYS A 1 111 ? -8.571 3.037 27.923 1.00 28.80 ? 111 LYS A HD3 1 ATOM 1545 H HE2 . LYS A 1 111 ? -6.333 3.598 27.232 1.00 30.80 ? 111 LYS A HE2 1 ATOM 1546 H HE3 . LYS A 1 111 ? -6.994 4.207 25.922 1.00 30.80 ? 111 LYS A HE3 1 ATOM 1547 N N . VAL A 1 112 ? -7.620 0.003 22.269 1.00 13.35 ? 112 VAL A N 1 ATOM 1548 C CA . VAL A 1 112 ? -7.417 0.270 20.842 1.00 13.25 ? 112 VAL A CA 1 ATOM 1549 C C . VAL A 1 112 ? -8.667 0.950 20.289 1.00 14.17 ? 112 VAL A C 1 ATOM 1550 O O . VAL A 1 112 ? -9.770 0.747 20.800 1.00 14.76 ? 112 VAL A O 1 ATOM 1551 C CB . VAL A 1 112 ? -7.128 -1.018 20.014 1.00 12.89 ? 112 VAL A CB 1 ATOM 1552 C CG1 . VAL A 1 112 ? -5.877 -1.734 20.533 1.00 12.65 ? 112 VAL A CG1 1 ATOM 1553 C CG2 . VAL A 1 112 ? -8.336 -1.967 19.979 1.00 13.80 ? 112 VAL A CG2 1 ATOM 1554 H H . VAL A 1 112 ? -8.388 -0.340 22.451 1.00 16.02 ? 112 VAL A H 1 ATOM 1555 H HA . VAL A 1 112 ? -6.667 0.876 20.733 1.00 15.90 ? 112 VAL A HA 1 ATOM 1556 H HB . VAL A 1 112 ? -6.946 -0.754 19.098 1.00 15.47 ? 112 VAL A HB 1 ATOM 1557 H HG11 . VAL A 1 112 ? -5.725 -2.529 19.998 1.00 15.18 ? 112 VAL A HG11 1 ATOM 1558 H HG12 . VAL A 1 112 ? -5.118 -1.135 20.460 1.00 15.18 ? 112 VAL A HG12 1 ATOM 1559 H HG13 . VAL A 1 112 ? -6.018 -1.980 21.460 1.00 15.18 ? 112 VAL A HG13 1 ATOM 1560 H HG21 . VAL A 1 112 ? -9.060 -1.574 20.490 1.00 16.56 ? 112 VAL A HG21 1 ATOM 1561 H HG22 . VAL A 1 112 ? -8.611 -2.094 19.058 1.00 16.56 ? 112 VAL A HG22 1 ATOM 1562 H HG23 . VAL A 1 112 ? -8.080 -2.818 20.369 1.00 16.56 ? 112 VAL A HG23 1 ATOM 1563 N N . SER A 1 113 ? -8.497 1.764 19.251 1.00 14.15 ? 113 SER A N 1 ATOM 1564 C CA . SER A 1 113 ? -9.634 2.446 18.648 1.00 14.73 ? 113 SER A CA 1 ATOM 1565 C C . SER A 1 113 ? -10.386 1.501 17.714 1.00 14.36 ? 113 SER A C 1 ATOM 1566 O O . SER A 1 113 ? -9.918 0.407 17.372 1.00 14.56 ? 113 SER A O 1 ATOM 1567 C CB . SER A 1 113 ? -9.193 3.708 17.904 1.00 16.14 ? 113 SER A CB 1 ATOM 1568 O OG . SER A 1 113 ? -8.416 3.392 16.768 1.00 16.03 ? 113 SER A OG 1 ATOM 1569 H H . SER A 1 113 ? -7.740 1.936 18.880 1.00 16.98 ? 113 SER A H 1 ATOM 1570 H HA . SER A 1 113 ? -10.246 2.715 19.351 1.00 17.68 ? 113 SER A HA 1 ATOM 1571 H HB2 . SER A 1 113 ? -9.981 4.197 17.620 1.00 19.37 ? 113 SER A HB2 1 ATOM 1572 H HB3 . SER A 1 113 ? -8.663 4.257 18.504 1.00 19.37 ? 113 SER A HB3 1 ATOM 1573 H HG . SER A 1 113 ? -7.728 2.969 17.000 1.00 19.24 ? 113 SER A HG 1 ATOM 1574 N N . SER A 1 114 ? -11.566 1.939 17.308 1.00 15.77 ? 114 SER A N 1 ATOM 1575 C CA . SER A 1 114 ? -12.507 1.074 16.610 1.00 16.86 ? 114 SER A CA 1 ATOM 1576 C C . SER A 1 114 ? -11.955 0.472 15.323 1.00 16.33 ? 114 SER A C 1 ATOM 1577 O O . SER A 1 114 ? -12.255 -0.676 15.001 1.00 15.32 ? 114 SER A O 1 ATOM 1578 C CB . SER A 1 114 ? -13.814 1.822 16.332 1.00 19.40 ? 114 SER A CB 1 ATOM 1579 O OG . SER A 1 114 ? -13.603 2.955 15.501 1.00 21.86 ? 114 SER A OG 1 ATOM 1580 H H . SER A 1 114 ? -11.851 2.742 17.426 1.00 18.93 ? 114 SER A H 1 ATOM 1581 H HA . SER A 1 114 ? -12.724 0.334 17.198 1.00 20.23 ? 114 SER A HA 1 ATOM 1582 H HB2 . SER A 1 114 ? -14.432 1.220 15.889 1.00 23.28 ? 114 SER A HB2 1 ATOM 1583 H HB3 . SER A 1 114 ? -14.191 2.119 17.175 1.00 23.28 ? 114 SER A HB3 1 ATOM 1584 H HG . SER A 1 114 ? -14.332 3.349 15.361 1.00 26.24 ? 114 SER A HG 1 ATOM 1585 N N . SER A 1 115 ? -11.144 1.215 14.581 1.00 16.09 ? 115 SER A N 1 ATOM 1586 C CA A SER A 1 115 ? -10.639 0.691 13.320 0.54 16.71 ? 115 SER A CA 1 ATOM 1587 C CA B SER A 1 115 ? -10.609 0.709 13.323 0.46 16.68 ? 115 SER A CA 1 ATOM 1588 C C . SER A 1 115 ? -9.731 -0.516 13.546 1.00 15.70 ? 115 SER A C 1 ATOM 1589 O O . SER A 1 115 ? -9.678 -1.404 12.707 1.00 15.92 ? 115 SER A O 1 ATOM 1590 C CB A SER A 1 115 ? -9.910 1.767 12.522 0.54 18.55 ? 115 SER A CB 1 ATOM 1591 C CB B SER A 1 115 ? -9.819 1.794 12.591 0.46 18.53 ? 115 SER A CB 1 ATOM 1592 O OG A SER A 1 115 ? -8.811 2.272 13.244 0.54 20.09 ? 115 SER A OG 1 ATOM 1593 O OG B SER A 1 115 ? -10.689 2.788 12.080 0.46 20.12 ? 115 SER A OG 1 ATOM 1594 H H A SER A 1 115 ? -10.876 2.008 14.778 0.54 19.31 ? 115 SER A H 1 ATOM 1595 H H B SER A 1 115 ? -10.888 2.012 14.781 0.46 19.31 ? 115 SER A H 1 ATOM 1596 H HA A SER A 1 115 ? -11.393 0.393 12.788 0.54 20.05 ? 115 SER A HA 1 ATOM 1597 H HA B SER A 1 115 ? -11.348 0.445 12.753 0.46 20.02 ? 115 SER A HA 1 ATOM 1598 H HB2 A SER A 1 115 ? -9.590 1.382 11.691 0.54 22.26 ? 115 SER A HB2 1 ATOM 1599 H HB2 B SER A 1 115 ? -9.198 2.206 13.211 0.46 22.24 ? 115 SER A HB2 1 ATOM 1600 H HB3 A SER A 1 115 ? -10.525 2.493 12.336 0.54 22.26 ? 115 SER A HB3 1 ATOM 1601 H HB3 B SER A 1 115 ? -9.334 1.389 11.855 0.46 22.24 ? 115 SER A HB3 1 ATOM 1602 H HG A SER A 1 115 ? -8.419 2.863 12.795 0.54 24.11 ? 115 SER A HG 1 ATOM 1603 H HG B SER A 1 115 ? -11.234 2.444 11.541 0.46 24.14 ? 115 SER A HG 1 ATOM 1604 N N . PHE A 1 116 ? -9.018 -0.555 14.675 1.00 13.98 ? 116 PHE A N 1 ATOM 1605 C CA . PHE A 1 116 ? -8.207 -1.727 14.998 1.00 13.31 ? 116 PHE A CA 1 ATOM 1606 C C . PHE A 1 116 ? -9.101 -2.909 15.371 1.00 12.45 ? 116 PHE A C 1 ATOM 1607 O O . PHE A 1 116 ? -8.917 -4.019 14.866 1.00 13.19 ? 116 PHE A O 1 ATOM 1608 C CB . PHE A 1 116 ? -7.199 -1.392 16.098 1.00 13.37 ? 116 PHE A CB 1 ATOM 1609 C CG . PHE A 1 116 ? -6.071 -0.514 15.623 1.00 12.95 ? 116 PHE A CG 1 ATOM 1610 C CD1 . PHE A 1 116 ? -5.187 -0.965 14.660 1.00 13.17 ? 116 PHE A CD1 1 ATOM 1611 C CD2 . PHE A 1 116 ? -5.910 0.766 16.121 1.00 13.34 ? 116 PHE A CD2 1 ATOM 1612 C CE1 . PHE A 1 116 ? -4.162 -0.160 14.209 1.00 13.81 ? 116 PHE A CE1 1 ATOM 1613 C CE2 . PHE A 1 116 ? -4.886 1.570 15.677 1.00 14.22 ? 116 PHE A CE2 1 ATOM 1614 C CZ . PHE A 1 116 ? -4.016 1.112 14.715 1.00 14.03 ? 116 PHE A CZ 1 ATOM 1615 H H . PHE A 1 116 ? -8.988 0.074 15.260 1.00 16.77 ? 116 PHE A H 1 ATOM 1616 H HA . PHE A 1 116 ? -7.704 -1.981 14.208 1.00 15.98 ? 116 PHE A HA 1 ATOM 1617 H HB2 . PHE A 1 116 ? -7.658 -0.926 16.815 1.00 16.04 ? 116 PHE A HB2 1 ATOM 1618 H HB3 . PHE A 1 116 ? -6.814 -2.217 16.434 1.00 16.04 ? 116 PHE A HB3 1 ATOM 1619 H HD1 . PHE A 1 116 ? -5.286 -1.821 14.311 1.00 15.80 ? 116 PHE A HD1 1 ATOM 1620 H HD2 . PHE A 1 116 ? -6.498 1.086 16.767 1.00 16.01 ? 116 PHE A HD2 1 ATOM 1621 H HE1 . PHE A 1 116 ? -3.572 -0.475 13.563 1.00 16.57 ? 116 PHE A HE1 1 ATOM 1622 H HE2 . PHE A 1 116 ? -4.787 2.429 16.020 1.00 17.06 ? 116 PHE A HE2 1 ATOM 1623 H HZ . PHE A 1 116 ? -3.322 1.654 14.419 1.00 16.83 ? 116 PHE A HZ 1 ATOM 1624 N N . THR A 1 117 ? -10.088 -2.665 16.228 1.00 12.81 ? 117 THR A N 1 ATOM 1625 C CA . THR A 1 117 ? -11.012 -3.713 16.637 1.00 13.55 ? 117 THR A CA 1 ATOM 1626 C C . THR A 1 117 ? -11.675 -4.353 15.437 1.00 13.72 ? 117 THR A C 1 ATOM 1627 O O . THR A 1 117 ? -11.803 -5.578 15.365 1.00 14.36 ? 117 THR A O 1 ATOM 1628 C CB . THR A 1 117 ? -12.094 -3.143 17.551 1.00 14.22 ? 117 THR A CB 1 ATOM 1629 O OG1 . THR A 1 117 ? -11.470 -2.591 18.716 1.00 14.53 ? 117 THR A OG1 1 ATOM 1630 C CG2 . THR A 1 117 ? -13.094 -4.228 17.967 1.00 15.05 ? 117 THR A CG2 1 ATOM 1631 H H . THR A 1 117 ? -10.243 -1.899 16.587 1.00 15.37 ? 117 THR A H 1 ATOM 1632 H HA . THR A 1 117 ? -10.528 -4.399 17.123 1.00 16.26 ? 117 THR A HA 1 ATOM 1633 H HB . THR A 1 117 ? -12.577 -2.444 17.082 1.00 17.06 ? 117 THR A HB 1 ATOM 1634 H HG1 . THR A 1 117 ? -11.043 -3.189 19.124 1.00 17.43 ? 117 THR A HG1 1 ATOM 1635 H HG21 . THR A 1 117 ? -13.524 -4.602 17.182 1.00 18.07 ? 117 THR A HG21 1 ATOM 1636 H HG22 . THR A 1 117 ? -12.635 -4.937 18.443 1.00 18.07 ? 117 THR A HG22 1 ATOM 1637 H HG23 . THR A 1 117 ? -13.773 -3.847 18.547 1.00 18.07 ? 117 THR A HG23 1 ATOM 1638 N N . GLU A 1 118 ? -12.070 -3.512 14.487 1.00 14.39 ? 118 GLU A N 1 ATOM 1639 C CA . GLU A 1 118 ? -12.845 -3.944 13.337 1.00 16.54 ? 118 GLU A CA 1 ATOM 1640 C C . GLU A 1 118 ? -12.023 -4.683 12.290 1.00 15.96 ? 118 GLU A C 1 ATOM 1641 O O . GLU A 1 118 ? -12.588 -5.276 11.368 1.00 18.55 ? 118 GLU A O 1 ATOM 1642 C CB . GLU A 1 118 ? -13.509 -2.726 12.704 1.00 18.64 ? 118 GLU A CB 1 ATOM 1643 C CG . GLU A 1 118 ? -14.619 -2.124 13.567 1.00 21.26 ? 118 GLU A CG 1 ATOM 1644 C CD . GLU A 1 118 ? -14.997 -0.702 13.185 1.00 24.24 ? 118 GLU A CD 1 ATOM 1645 O OE1 . GLU A 1 118 ? -15.835 -0.121 13.902 1.00 25.03 ? 118 GLU A OE1 1 ATOM 1646 O OE2 . GLU A 1 118 ? -14.451 -0.157 12.200 1.00 25.68 ? 118 GLU A OE2 1 ATOM 1647 H H . GLU A 1 118 ? -11.896 -2.670 14.489 1.00 17.27 ? 118 GLU A H 1 ATOM 1648 H HA . GLU A 1 118 ? -13.547 -4.542 13.640 1.00 19.85 ? 118 GLU A HA 1 ATOM 1649 H HB2 . GLU A 1 118 ? -12.838 -2.041 12.560 1.00 22.37 ? 118 GLU A HB2 1 ATOM 1650 H HB3 . GLU A 1 118 ? -13.901 -2.987 11.855 1.00 22.37 ? 118 GLU A HB3 1 ATOM 1651 H HG2 . GLU A 1 118 ? -15.413 -2.674 13.482 1.00 25.51 ? 118 GLU A HG2 1 ATOM 1652 H HG3 . GLU A 1 118 ? -14.323 -2.113 14.491 1.00 25.51 ? 118 GLU A HG3 1 ATOM 1653 N N . ASP A 1 119 ? -10.701 -4.641 12.418 1.00 15.44 ? 119 ASP A N 1 ATOM 1654 C CA . ASP A 1 119 ? -9.835 -5.372 11.511 1.00 14.59 ? 119 ASP A CA 1 ATOM 1655 C C . ASP A 1 119 ? -9.263 -6.599 12.214 1.00 13.52 ? 119 ASP A C 1 ATOM 1656 O O . ASP A 1 119 ? -8.247 -6.525 12.906 1.00 13.58 ? 119 ASP A O 1 ATOM 1657 C CB . ASP A 1 119 ? -8.704 -4.498 11.018 1.00 15.48 ? 119 ASP A CB 1 ATOM 1658 C CG . ASP A 1 119 ? -7.884 -5.181 9.966 1.00 17.94 ? 119 ASP A CG 1 ATOM 1659 O OD1 . ASP A 1 119 ? -8.172 -6.360 9.646 1.00 17.31 ? 119 ASP A OD1 1 ATOM 1660 O OD2 . ASP A 1 119 ? -6.937 -4.549 9.465 1.00 20.93 ? 119 ASP A OD2 1 ATOM 1661 H H . ASP A 1 119 ? -10.283 -4.195 13.023 1.00 18.53 ? 119 ASP A H 1 ATOM 1662 H HA . ASP A 1 119 ? -10.349 -5.670 10.744 1.00 17.50 ? 119 ASP A HA 1 ATOM 1663 H HB2 . ASP A 1 119 ? -9.072 -3.687 10.635 1.00 18.58 ? 119 ASP A HB2 1 ATOM 1664 H HB3 . ASP A 1 119 ? -8.121 -4.282 11.762 1.00 18.58 ? 119 ASP A HB3 1 ATOM 1665 N N . SER A 1 120 ? -9.905 -7.738 12.002 1.00 13.25 ? 120 SER A N 1 ATOM 1666 C CA . SER A 1 120 ? -9.544 -8.962 12.707 1.00 12.74 ? 120 SER A CA 1 ATOM 1667 C C . SER A 1 120 ? -8.223 -9.545 12.250 1.00 11.21 ? 120 SER A C 1 ATOM 1668 O O . SER A 1 120 ? -7.688 -10.430 12.914 1.00 12.65 ? 120 SER A O 1 ATOM 1669 C CB . SER A 1 120 ? -10.632 -10.019 12.508 1.00 16.35 ? 120 SER A CB 1 ATOM 1670 O OG . SER A 1 120 ? -10.688 -10.438 11.152 1.00 19.21 ? 120 SER A OG 1 ATOM 1671 H H . SER A 1 120 ? -10.559 -7.831 11.452 1.00 15.90 ? 120 SER A H 1 ATOM 1672 H HA . SER A 1 120 ? -9.477 -8.774 13.656 1.00 15.28 ? 120 SER A HA 1 ATOM 1673 H HB2 . SER A 1 120 ? -10.433 -10.785 13.068 1.00 19.62 ? 120 SER A HB2 1 ATOM 1674 H HB3 . SER A 1 120 ? -11.489 -9.640 12.757 1.00 19.62 ? 120 SER A HB3 1 ATOM 1675 H HG . SER A 1 120 ? -11.288 -11.018 11.055 1.00 23.05 ? 120 SER A HG 1 ATOM 1676 N N . THR A 1 121 ? -7.713 -9.074 11.112 1.00 10.93 ? 121 THR A N 1 ATOM 1677 C CA . THR A 1 121 ? -6.516 -9.661 10.492 1.00 11.55 ? 121 THR A CA 1 ATOM 1678 C C . THR A 1 121 ? -5.205 -9.064 10.996 1.00 9.43 ? 121 THR A C 1 ATOM 1679 O O . THR A 1 121 ? -4.146 -9.620 10.739 1.00 10.58 ? 121 THR A O 1 ATOM 1680 C CB . THR A 1 121 ? -6.518 -9.491 8.959 1.00 14.21 ? 121 THR A CB 1 ATOM 1681 O OG1 . THR A 1 121 ? -6.290 -8.122 8.630 1.00 16.02 ? 121 THR A OG1 1 ATOM 1682 C CG2 . THR A 1 121 ? -7.853 -9.951 8.377 1.00 15.80 ? 121 THR A CG2 1 ATOM 1683 H H . THR A 1 121 ? -8.041 -8.411 10.674 1.00 13.12 ? 121 THR A H 1 ATOM 1684 H HA . THR A 1 121 ? -6.501 -10.611 10.685 1.00 13.86 ? 121 THR A HA 1 ATOM 1685 H HB . THR A 1 121 ? -5.813 -10.036 8.575 1.00 17.05 ? 121 THR A HB 1 ATOM 1686 H HG1 . THR A 1 121 ? -6.290 -8.023 7.796 1.00 19.23 ? 121 THR A HG1 1 ATOM 1687 H HG21 . THR A 1 121 ? -8.003 -10.886 8.588 1.00 18.96 ? 121 THR A HG21 1 ATOM 1688 H HG22 . THR A 1 121 ? -8.577 -9.424 8.751 1.00 18.96 ? 121 THR A HG22 1 ATOM 1689 H HG23 . THR A 1 121 ? -7.850 -9.843 7.413 1.00 18.96 ? 121 THR A HG23 1 ATOM 1690 N N . ILE A 1 122 ? -5.258 -7.923 11.686 1.00 9.20 ? 122 ILE A N 1 ATOM 1691 C CA . ILE A 1 122 ? -4.045 -7.256 12.169 1.00 9.03 ? 122 ILE A CA 1 ATOM 1692 C C . ILE A 1 122 ? -3.976 -7.365 13.687 1.00 8.79 ? 122 ILE A C 1 ATOM 1693 O O . ILE A 1 122 ? -4.845 -6.852 14.396 1.00 9.19 ? 122 ILE A O 1 ATOM 1694 C CB . ILE A 1 122 ? -4.003 -5.786 11.677 1.00 9.46 ? 122 ILE A CB 1 ATOM 1695 C CG1 . ILE A 1 122 ? -3.775 -5.763 10.159 1.00 10.59 ? 122 ILE A CG1 1 ATOM 1696 C CG2 . ILE A 1 122 ? -2.917 -5.005 12.403 1.00 9.78 ? 122 ILE A CG2 1 ATOM 1697 C CD1 . ILE A 1 122 ? -3.780 -4.402 9.528 1.00 12.07 ? 122 ILE A CD1 1 ATOM 1698 H H . ILE A 1 122 ? -5.986 -7.513 11.888 1.00 11.04 ? 122 ILE A H 1 ATOM 1699 H HA . ILE A 1 122 ? -3.271 -7.713 11.803 1.00 10.83 ? 122 ILE A HA 1 ATOM 1700 H HB . ILE A 1 122 ? -4.860 -5.373 11.867 1.00 11.35 ? 122 ILE A HB 1 ATOM 1701 H HG12 . ILE A 1 122 ? -2.913 -6.167 9.972 1.00 12.70 ? 122 ILE A HG12 1 ATOM 1702 H HG13 . ILE A 1 122 ? -4.475 -6.283 9.735 1.00 12.70 ? 122 ILE A HG13 1 ATOM 1703 H HG21 . ILE A 1 122 ? -2.059 -5.422 12.228 1.00 11.74 ? 122 ILE A HG21 1 ATOM 1704 H HG22 . ILE A 1 122 ? -2.913 -4.092 12.076 1.00 11.74 ? 122 ILE A HG22 1 ATOM 1705 H HG23 . ILE A 1 122 ? -3.103 -5.016 13.354 1.00 11.74 ? 122 ILE A HG23 1 ATOM 1706 H HD11 . ILE A 1 122 ? -4.641 -3.984 9.687 1.00 14.49 ? 122 ILE A HD11 1 ATOM 1707 H HD12 . ILE A 1 122 ? -3.074 -3.868 9.924 1.00 14.49 ? 122 ILE A HD12 1 ATOM 1708 H HD13 . ILE A 1 122 ? -3.629 -4.496 8.575 1.00 14.49 ? 122 ILE A HD13 1 ATOM 1709 N N . ASP A 1 123 ? -2.931 -8.039 14.169 1.00 8.39 ? 123 ASP A N 1 ATOM 1710 C CA . ASP A 1 123 ? -2.754 -8.311 15.592 1.00 8.40 ? 123 ASP A CA 1 ATOM 1711 C C . ASP A 1 123 ? -1.913 -7.242 16.300 1.00 8.60 ? 123 ASP A C 1 ATOM 1712 O O . ASP A 1 123 ? -1.683 -7.332 17.506 1.00 9.22 ? 123 ASP A O 1 ATOM 1713 C CB . ASP A 1 123 ? -2.109 -9.689 15.800 1.00 8.69 ? 123 ASP A CB 1 ATOM 1714 C CG . ASP A 1 123 ? -2.927 -10.822 15.212 1.00 9.53 ? 123 ASP A CG 1 ATOM 1715 O OD1 . ASP A 1 123 ? -4.176 -10.741 15.244 1.00 10.19 ? 123 ASP A OD1 1 ATOM 1716 O OD2 . ASP A 1 123 ? -2.316 -11.803 14.722 1.00 9.36 ? 123 ASP A OD2 1 ATOM 1717 H H . ASP A 1 123 ? -2.298 -8.354 13.679 1.00 10.07 ? 123 ASP A H 1 ATOM 1718 H HA . ASP A 1 123 ? -3.627 -8.327 16.015 1.00 10.09 ? 123 ASP A HA 1 ATOM 1719 H HB2 . ASP A 1 123 ? -1.238 -9.696 15.374 1.00 10.43 ? 123 ASP A HB2 1 ATOM 1720 H HB3 . ASP A 1 123 ? -2.014 -9.851 16.752 1.00 10.43 ? 123 ASP A HB3 1 ATOM 1721 N N . GLY A 1 124 ? -1.459 -6.243 15.548 1.00 8.11 ? 124 GLY A N 1 ATOM 1722 C CA . GLY A 1 124 ? -0.649 -5.164 16.078 1.00 8.50 ? 124 GLY A CA 1 ATOM 1723 C C . GLY A 1 124 ? 0.252 -4.607 15.006 1.00 8.54 ? 124 GLY A C 1 ATOM 1724 O O . GLY A 1 124 ? 0.113 -4.974 13.837 1.00 8.17 ? 124 GLY A O 1 ATOM 1725 H H . GLY A 1 124 ? -1.615 -6.172 14.705 1.00 9.74 ? 124 GLY A H 1 ATOM 1726 H HA2 . GLY A 1 124 ? -1.221 -4.453 16.408 1.00 10.20 ? 124 GLY A HA2 1 ATOM 1727 H HA3 . GLY A 1 124 ? -0.101 -5.491 16.809 1.00 10.20 ? 124 GLY A HA3 1 ATOM 1728 N N . LEU A 1 125 ? 1.131 -3.688 15.399 1.00 8.11 ? 125 LEU A N 1 ATOM 1729 C CA . LEU A 1 125 ? 2.048 -3.019 14.480 1.00 7.91 ? 125 LEU A CA 1 ATOM 1730 C C . LEU A 1 125 ? 3.476 -3.256 14.914 1.00 8.20 ? 125 LEU A C 1 ATOM 1731 O O . LEU A 1 125 ? 3.757 -3.385 16.106 1.00 8.87 ? 125 LEU A O 1 ATOM 1732 C CB . LEU A 1 125 ? 1.783 -1.497 14.435 1.00 10.14 ? 125 LEU A CB 1 ATOM 1733 C CG . LEU A 1 125 ? 0.823 -1.038 13.320 1.00 12.44 ? 125 LEU A CG 1 ATOM 1734 C CD1 . LEU A 1 125 ? -0.580 -1.600 13.513 1.00 12.28 ? 125 LEU A CD1 1 ATOM 1735 C CD2 . LEU A 1 125 ? 0.805 0.459 13.198 1.00 15.58 ? 125 LEU A CD2 1 ATOM 1736 H H . LEU A 1 125 ? 1.216 -3.428 16.214 1.00 9.73 ? 125 LEU A H 1 ATOM 1737 H HA . LEU A 1 125 ? 1.933 -3.380 13.587 1.00 9.49 ? 125 LEU A HA 1 ATOM 1738 H HB2 . LEU A 1 125 ? 1.397 -1.226 15.283 1.00 12.17 ? 125 LEU A HB2 1 ATOM 1739 H HB3 . LEU A 1 125 ? 2.628 -1.040 14.301 1.00 12.17 ? 125 LEU A HB3 1 ATOM 1740 H HG . LEU A 1 125 ? 1.154 -1.387 12.477 1.00 14.92 ? 125 LEU A HG 1 ATOM 1741 H HD11 . LEU A 1 125 ? -1.147 -1.286 12.791 1.00 14.73 ? 125 LEU A HD11 1 ATOM 1742 H HD12 . LEU A 1 125 ? -0.536 -2.569 13.503 1.00 14.73 ? 125 LEU A HD12 1 ATOM 1743 H HD13 . LEU A 1 125 ? -0.927 -1.293 14.365 1.00 14.73 ? 125 LEU A HD13 1 ATOM 1744 H HD21 . LEU A 1 125 ? 0.192 0.710 12.489 1.00 18.70 ? 125 LEU A HD21 1 ATOM 1745 H HD22 . LEU A 1 125 ? 0.511 0.840 14.041 1.00 18.70 ? 125 LEU A HD22 1 ATOM 1746 H HD23 . LEU A 1 125 ? 1.700 0.769 12.989 1.00 18.70 ? 125 LEU A HD23 1 ATOM 1747 N N . LEU A 1 126 ? 4.374 -3.274 13.940 1.00 8.20 ? 126 LEU A N 1 ATOM 1748 C CA . LEU A 1 126 ? 5.812 -3.303 14.196 1.00 7.61 ? 126 LEU A CA 1 ATOM 1749 C C . LEU A 1 126 ? 6.427 -2.106 13.481 1.00 7.19 ? 126 LEU A C 1 ATOM 1750 O O . LEU A 1 126 ? 6.536 -2.070 12.257 1.00 7.66 ? 126 LEU A O 1 ATOM 1751 C CB . LEU A 1 126 ? 6.428 -4.640 13.763 1.00 8.49 ? 126 LEU A CB 1 ATOM 1752 C CG . LEU A 1 126 ? 7.887 -4.858 14.196 1.00 8.48 ? 126 LEU A CG 1 ATOM 1753 C CD1 . LEU A 1 126 ? 8.179 -6.334 14.403 1.00 9.25 ? 126 LEU A CD1 1 ATOM 1754 C CD2 . LEU A 1 126 ? 8.877 -4.261 13.207 1.00 9.37 ? 126 LEU A CD2 1 ATOM 1755 H H . LEU A 1 126 ? 4.173 -3.271 13.104 1.00 9.83 ? 126 LEU A H 1 ATOM 1756 H HA . LEU A 1 126 ? 5.966 -3.197 15.147 1.00 9.13 ? 126 LEU A HA 1 ATOM 1757 H HB2 . LEU A 1 126 ? 5.899 -5.360 14.142 1.00 10.19 ? 126 LEU A HB2 1 ATOM 1758 H HB3 . LEU A 1 126 ? 6.400 -4.693 12.795 1.00 10.19 ? 126 LEU A HB3 1 ATOM 1759 H HG . LEU A 1 126 ? 8.023 -4.413 15.047 1.00 10.18 ? 126 LEU A HG 1 ATOM 1760 H HD11 . LEU A 1 126 ? 7.591 -6.678 15.093 1.00 11.10 ? 126 LEU A HD11 1 ATOM 1761 H HD12 . LEU A 1 126 ? 8.024 -6.806 13.570 1.00 11.10 ? 126 LEU A HD12 1 ATOM 1762 H HD13 . LEU A 1 126 ? 9.104 -6.437 14.675 1.00 11.10 ? 126 LEU A HD13 1 ATOM 1763 H HD21 . LEU A 1 126 ? 8.749 -4.681 12.342 1.00 11.24 ? 126 LEU A HD21 1 ATOM 1764 H HD22 . LEU A 1 126 ? 8.718 -3.307 13.139 1.00 11.24 ? 126 LEU A HD22 1 ATOM 1765 H HD23 . LEU A 1 126 ? 9.778 -4.425 13.525 1.00 11.24 ? 126 LEU A HD23 1 ATOM 1766 N N . GLY A 1 127 ? 6.799 -1.106 14.270 1.00 7.89 ? 127 GLY A N 1 ATOM 1767 C CA . GLY A 1 127 ? 7.284 0.147 13.720 1.00 7.79 ? 127 GLY A CA 1 ATOM 1768 C C . GLY A 1 127 ? 8.722 0.034 13.244 1.00 7.82 ? 127 GLY A C 1 ATOM 1769 O O . GLY A 1 127 ? 9.568 -0.573 13.912 1.00 9.01 ? 127 GLY A O 1 ATOM 1770 H H . GLY A 1 127 ? 6.780 -1.131 15.129 1.00 9.46 ? 127 GLY A H 1 ATOM 1771 H HA2 . GLY A 1 127 ? 6.729 0.410 12.969 1.00 9.35 ? 127 GLY A HA2 1 ATOM 1772 H HA3 . GLY A 1 127 ? 7.237 0.840 14.398 1.00 9.35 ? 127 GLY A HA3 1 ATOM 1773 N N . LEU A 1 128 ? 9.001 0.636 12.096 1.00 7.65 ? 128 LEU A N 1 ATOM 1774 C CA . LEU A 1 128 ? 10.317 0.600 11.471 1.00 7.81 ? 128 LEU A CA 1 ATOM 1775 C C . LEU A 1 128 ? 10.811 1.992 11.065 1.00 8.07 ? 128 LEU A C 1 ATOM 1776 O O . LEU A 1 128 ? 11.778 2.106 10.310 1.00 9.01 ? 128 LEU A O 1 ATOM 1777 C CB . LEU A 1 128 ? 10.302 -0.330 10.254 1.00 7.77 ? 128 LEU A CB 1 ATOM 1778 C CG . LEU A 1 128 ? 10.120 -1.819 10.585 1.00 8.62 ? 128 LEU A CG 1 ATOM 1779 C CD1 . LEU A 1 128 ? 9.817 -2.621 9.323 1.00 10.18 ? 128 LEU A CD1 1 ATOM 1780 C CD2 . LEU A 1 128 ? 11.357 -2.354 11.297 1.00 10.61 ? 128 LEU A CD2 1 ATOM 1781 H H . LEU A 1 128 ? 8.424 1.087 11.645 1.00 9.18 ? 128 LEU A H 1 ATOM 1782 H HA . LEU A 1 128 ? 10.952 0.239 12.109 1.00 9.38 ? 128 LEU A HA 1 ATOM 1783 H HB2 . LEU A 1 128 ? 9.571 -0.068 9.673 1.00 9.33 ? 128 LEU A HB2 1 ATOM 1784 H HB3 . LEU A 1 128 ? 11.144 -0.236 9.782 1.00 9.33 ? 128 LEU A HB3 1 ATOM 1785 H HG . LEU A 1 128 ? 9.366 -1.916 11.187 1.00 10.35 ? 128 LEU A HG 1 ATOM 1786 H HD11 . LEU A 1 128 ? 10.556 -2.523 8.702 1.00 12.22 ? 128 LEU A HD11 1 ATOM 1787 H HD12 . LEU A 1 128 ? 9.708 -3.555 9.562 1.00 12.22 ? 128 LEU A HD12 1 ATOM 1788 H HD13 . LEU A 1 128 ? 9.001 -2.284 8.923 1.00 12.22 ? 128 LEU A HD13 1 ATOM 1789 H HD21 . LEU A 1 128 ? 11.489 -1.856 12.118 1.00 12.73 ? 128 LEU A HD21 1 ATOM 1790 H HD22 . LEU A 1 128 ? 11.224 -3.294 11.497 1.00 12.73 ? 128 LEU A HD22 1 ATOM 1791 H HD23 . LEU A 1 128 ? 12.127 -2.246 10.716 1.00 12.73 ? 128 LEU A HD23 1 ATOM 1792 N N . ALA A 1 129 ? 10.172 3.044 11.578 1.00 7.84 ? 129 ALA A N 1 ATOM 1793 C CA . ALA A 1 129 ? 10.722 4.392 11.441 1.00 8.16 ? 129 ALA A CA 1 ATOM 1794 C C . ALA A 1 129 ? 11.819 4.564 12.514 1.00 8.50 ? 129 ALA A C 1 ATOM 1795 O O . ALA A 1 129 ? 12.257 3.601 13.131 1.00 9.70 ? 129 ALA A O 1 ATOM 1796 C CB . ALA A 1 129 ? 9.626 5.429 11.563 1.00 8.11 ? 129 ALA A CB 1 ATOM 1797 H H . ALA A 1 129 ? 9.427 3.005 12.004 1.00 9.41 ? 129 ALA A H 1 ATOM 1798 H HA . ALA A 1 129 ? 11.133 4.484 10.567 1.00 9.79 ? 129 ALA A HA 1 ATOM 1799 H HB1 . ALA A 1 129 ? 10.015 6.312 11.470 1.00 9.74 ? 129 ALA A HB1 1 ATOM 1800 H HB2 . ALA A 1 129 ? 8.971 5.279 10.864 1.00 9.74 ? 129 ALA A HB2 1 ATOM 1801 H HB3 . ALA A 1 129 ? 9.206 5.343 12.434 1.00 9.74 ? 129 ALA A HB3 1 ATOM 1802 N N . PHE A 1 130 ? 12.284 5.784 12.726 1.00 9.10 ? 130 PHE A N 1 ATOM 1803 C CA . PHE A 1 130 ? 13.411 6.006 13.630 1.00 8.94 ? 130 PHE A CA 1 ATOM 1804 C C . PHE A 1 130 ? 12.936 6.016 15.079 1.00 9.46 ? 130 PHE A C 1 ATOM 1805 O O . PHE A 1 130 ? 11.815 6.446 15.373 1.00 9.23 ? 130 PHE A O 1 ATOM 1806 C CB . PHE A 1 130 ? 14.182 7.262 13.204 1.00 10.17 ? 130 PHE A CB 1 ATOM 1807 C CG . PHE A 1 130 ? 14.866 7.079 11.894 1.00 10.79 ? 130 PHE A CG 1 ATOM 1808 C CD1 . PHE A 1 130 ? 16.127 6.511 11.828 1.00 12.55 ? 130 PHE A CD1 1 ATOM 1809 C CD2 . PHE A 1 130 ? 14.219 7.383 10.720 1.00 11.21 ? 130 PHE A CD2 1 ATOM 1810 C CE1 . PHE A 1 130 ? 16.736 6.284 10.620 1.00 12.97 ? 130 PHE A CE1 1 ATOM 1811 C CE2 . PHE A 1 130 ? 14.833 7.156 9.490 1.00 11.63 ? 130 PHE A CE2 1 ATOM 1812 C CZ . PHE A 1 130 ? 16.090 6.607 9.444 1.00 12.81 ? 130 PHE A CZ 1 ATOM 1813 H H . PHE A 1 130 ? 11.971 6.498 12.365 1.00 10.92 ? 130 PHE A H 1 ATOM 1814 H HA . PHE A 1 130 ? 14.020 5.257 13.538 1.00 10.73 ? 130 PHE A HA 1 ATOM 1815 H HB2 . PHE A 1 130 ? 13.562 8.004 13.121 1.00 12.21 ? 130 PHE A HB2 1 ATOM 1816 H HB3 . PHE A 1 130 ? 14.856 7.464 13.872 1.00 12.21 ? 130 PHE A HB3 1 ATOM 1817 H HD1 . PHE A 1 130 ? 16.568 6.282 12.614 1.00 15.06 ? 130 PHE A HD1 1 ATOM 1818 H HD2 . PHE A 1 130 ? 13.364 7.747 10.747 1.00 13.46 ? 130 PHE A HD2 1 ATOM 1819 H HE1 . PHE A 1 130 ? 17.590 5.917 10.593 1.00 15.56 ? 130 PHE A HE1 1 ATOM 1820 H HE2 . PHE A 1 130 ? 14.393 7.380 8.702 1.00 13.96 ? 130 PHE A HE2 1 ATOM 1821 H HZ . PHE A 1 130 ? 16.510 6.466 8.626 1.00 15.37 ? 130 PHE A HZ 1 ATOM 1822 N N . SER A 1 131 ? 13.787 5.523 15.975 1.00 10.14 ? 131 SER A N 1 ATOM 1823 C CA . SER A 1 131 ? 13.372 5.305 17.356 1.00 10.52 ? 131 SER A CA 1 ATOM 1824 C C . SER A 1 131 ? 13.020 6.592 18.098 1.00 10.74 ? 131 SER A C 1 ATOM 1825 O O . SER A 1 131 ? 12.352 6.548 19.125 1.00 11.38 ? 131 SER A O 1 ATOM 1826 C CB . SER A 1 131 ? 14.436 4.527 18.120 1.00 11.35 ? 131 SER A CB 1 ATOM 1827 O OG . SER A 1 131 ? 14.532 3.184 17.646 1.00 11.42 ? 131 SER A OG 1 ATOM 1828 H H . SER A 1 131 ? 14.604 5.309 15.811 1.00 12.17 ? 131 SER A H 1 ATOM 1829 H HA . SER A 1 131 ? 12.572 4.757 17.345 1.00 12.63 ? 131 SER A HA 1 ATOM 1830 H HB2 . SER A 1 131 ? 15.293 4.966 18.001 1.00 13.63 ? 131 SER A HB2 1 ATOM 1831 H HB3 . SER A 1 131 ? 14.200 4.512 19.061 1.00 13.63 ? 131 SER A HB3 1 ATOM 1832 H HG . SER A 1 131 ? 15.122 2.769 18.076 1.00 13.71 ? 131 SER A HG 1 ATOM 1833 N N . THR A 1 132 ? 13.438 7.735 17.557 1.00 11.29 ? 132 THR A N 1 ATOM 1834 C CA . THR A 1 132 ? 13.063 9.030 18.114 1.00 11.87 ? 132 THR A CA 1 ATOM 1835 C C . THR A 1 132 ? 11.549 9.272 18.130 1.00 11.46 ? 132 THR A C 1 ATOM 1836 O O . THR A 1 132 ? 11.079 10.124 18.884 1.00 12.51 ? 132 THR A O 1 ATOM 1837 C CB . THR A 1 132 ? 13.726 10.156 17.338 1.00 13.15 ? 132 THR A CB 1 ATOM 1838 O OG1 . THR A 1 132 ? 13.453 9.979 15.945 1.00 14.36 ? 132 THR A OG1 1 ATOM 1839 C CG2 . THR A 1 132 ? 15.239 10.160 17.570 1.00 14.83 ? 132 THR A CG2 1 ATOM 1840 H H . THR A 1 132 ? 13.943 7.786 16.863 1.00 13.55 ? 132 THR A H 1 ATOM 1841 H HA . THR A 1 132 ? 13.379 9.077 19.030 1.00 14.24 ? 132 THR A HA 1 ATOM 1842 H HB . THR A 1 132 ? 13.367 11.008 17.633 1.00 15.79 ? 132 THR A HB 1 ATOM 1843 H HG1 . THR A 1 132 ? 12.624 9.995 15.810 1.00 17.23 ? 132 THR A HG1 1 ATOM 1844 H HG21 . THR A 1 132 ? 15.621 9.318 17.278 1.00 17.80 ? 132 THR A HG21 1 ATOM 1845 H HG22 . THR A 1 132 ? 15.649 10.883 17.070 1.00 17.80 ? 132 THR A HG22 1 ATOM 1846 H HG23 . THR A 1 132 ? 15.429 10.282 18.513 1.00 17.80 ? 132 THR A HG23 1 ATOM 1847 N N . LEU A 1 133 ? 10.784 8.521 17.327 1.00 11.12 ? 133 LEU A N 1 ATOM 1848 C CA . LEU A 1 133 ? 9.322 8.623 17.344 1.00 10.91 ? 133 LEU A CA 1 ATOM 1849 C C . LEU A 1 133 ? 8.652 7.674 18.328 1.00 10.10 ? 133 LEU A C 1 ATOM 1850 O O . LEU A 1 133 ? 7.437 7.740 18.504 1.00 11.94 ? 133 LEU A O 1 ATOM 1851 C CB . LEU A 1 133 ? 8.730 8.378 15.950 1.00 11.51 ? 133 LEU A CB 1 ATOM 1852 C CG . LEU A 1 133 ? 9.041 9.408 14.875 1.00 13.90 ? 133 LEU A CG 1 ATOM 1853 C CD1 . LEU A 1 133 ? 8.332 8.992 13.596 1.00 13.68 ? 133 LEU A CD1 1 ATOM 1854 C CD2 . LEU A 1 133 ? 8.631 10.801 15.290 1.00 16.40 ? 133 LEU A CD2 1 ATOM 1855 H H . LEU A 1 133 ? 11.089 7.946 16.764 1.00 13.35 ? 133 LEU A H 1 ATOM 1856 H HA . LEU A 1 133 ? 9.083 9.526 17.606 1.00 13.09 ? 133 LEU A HA 1 ATOM 1857 H HB2 . LEU A 1 133 ? 9.058 7.524 15.630 1.00 13.82 ? 133 LEU A HB2 1 ATOM 1858 H HB3 . LEU A 1 133 ? 7.765 8.338 16.035 1.00 13.82 ? 133 LEU A HB3 1 ATOM 1859 H HG . LEU A 1 133 ? 9.996 9.412 14.703 1.00 16.68 ? 133 LEU A HG 1 ATOM 1860 H HD11 . LEU A 1 133 ? 8.524 9.643 12.903 1.00 16.42 ? 133 LEU A HD11 1 ATOM 1861 H HD12 . LEU A 1 133 ? 8.653 8.118 13.327 1.00 16.42 ? 133 LEU A HD12 1 ATOM 1862 H HD13 . LEU A 1 133 ? 7.377 8.958 13.762 1.00 16.42 ? 133 LEU A HD13 1 ATOM 1863 H HD21 . LEU A 1 133 ? 7.675 10.811 15.458 1.00 19.68 ? 133 LEU A HD21 1 ATOM 1864 H HD22 . LEU A 1 133 ? 9.111 11.044 16.096 1.00 19.68 ? 133 LEU A HD22 1 ATOM 1865 H HD23 . LEU A 1 133 ? 8.848 11.420 14.575 1.00 19.68 ? 133 LEU A HD23 1 ATOM 1866 N N . ASN A 1 134 ? 9.405 6.783 18.967 1.00 9.60 ? 134 ASN A N 1 ATOM 1867 C CA . ASN A 1 134 ? 8.771 5.819 19.859 1.00 9.27 ? 134 ASN A CA 1 ATOM 1868 C C . ASN A 1 134 ? 8.055 6.530 21.016 1.00 9.36 ? 134 ASN A C 1 ATOM 1869 O O . ASN A 1 134 ? 8.599 7.479 21.585 1.00 10.43 ? 134 ASN A O 1 ATOM 1870 C CB . ASN A 1 134 ? 9.796 4.810 20.357 1.00 9.73 ? 134 ASN A CB 1 ATOM 1871 C CG . ASN A 1 134 ? 9.213 3.863 21.363 1.00 9.32 ? 134 ASN A CG 1 ATOM 1872 O OD1 . ASN A 1 134 ? 9.279 4.107 22.576 1.00 9.46 ? 134 ASN A OD1 1 ATOM 1873 N ND2 . ASN A 1 134 ? 8.602 2.787 20.876 1.00 9.72 ? 134 ASN A ND2 1 ATOM 1874 H H . ASN A 1 134 ? 10.260 6.716 18.904 1.00 11.52 ? 134 ASN A H 1 ATOM 1875 H HA . ASN A 1 134 ? 8.100 5.330 19.358 1.00 11.12 ? 134 ASN A HA 1 ATOM 1876 H HB2 . ASN A 1 134 ? 10.122 4.289 19.606 1.00 11.68 ? 134 ASN A HB2 1 ATOM 1877 H HB3 . ASN A 1 134 ? 10.531 5.283 20.779 1.00 11.68 ? 134 ASN A HB3 1 ATOM 1878 H HD21 . ASN A 1 134 ? 8.558 2.665 20.026 1.00 11.66 ? 134 ASN A HD21 1 ATOM 1879 H HD22 . ASN A 1 134 ? 8.251 2.213 21.412 1.00 11.66 ? 134 ASN A HD22 1 ATOM 1880 N N . THR A 1 135 ? 6.842 6.085 21.353 1.00 9.44 ? 135 THR A N 1 ATOM 1881 C CA . THR A 1 135 ? 6.016 6.815 22.323 1.00 10.37 ? 135 THR A CA 1 ATOM 1882 C C . THR A 1 135 ? 6.148 6.347 23.769 1.00 10.68 ? 135 THR A C 1 ATOM 1883 O O . THR A 1 135 ? 5.497 6.901 24.643 1.00 12.54 ? 135 THR A O 1 ATOM 1884 C CB . THR A 1 135 ? 4.508 6.787 21.961 1.00 10.89 ? 135 THR A CB 1 ATOM 1885 O OG1 . THR A 1 135 ? 3.924 5.520 22.287 1.00 11.31 ? 135 THR A OG1 1 ATOM 1886 C CG2 . THR A 1 135 ? 4.285 7.125 20.489 1.00 10.89 ? 135 THR A CG2 1 ATOM 1887 H H . THR A 1 135 ? 6.477 5.372 21.039 1.00 11.32 ? 135 THR A H 1 ATOM 1888 H HA . THR A 1 135 ? 6.292 7.745 22.304 1.00 12.45 ? 135 THR A HA 1 ATOM 1889 H HB . THR A 1 135 ? 4.059 7.470 22.483 1.00 13.06 ? 135 THR A HB 1 ATOM 1890 H HG1 . THR A 1 135 ? 4.310 4.908 21.861 1.00 13.58 ? 135 THR A HG1 1 ATOM 1891 H HG21 . THR A 1 135 ? 4.745 6.481 19.929 1.00 13.07 ? 135 THR A HG21 1 ATOM 1892 H HG22 . THR A 1 135 ? 3.338 7.102 20.284 1.00 13.07 ? 135 THR A HG22 1 ATOM 1893 H HG23 . THR A 1 135 ? 4.628 8.012 20.297 1.00 13.07 ? 135 THR A HG23 1 ATOM 1894 N N . VAL A 1 136 ? 6.996 5.366 24.051 1.00 10.09 ? 136 VAL A N 1 ATOM 1895 C CA . VAL A 1 136 ? 7.077 4.852 25.419 1.00 10.12 ? 136 VAL A CA 1 ATOM 1896 C C . VAL A 1 136 ? 7.616 5.931 26.361 1.00 10.73 ? 136 VAL A C 1 ATOM 1897 O O . VAL A 1 136 ? 8.600 6.615 26.046 1.00 11.44 ? 136 VAL A O 1 ATOM 1898 C CB . VAL A 1 136 ? 7.916 3.566 25.505 1.00 10.13 ? 136 VAL A CB 1 ATOM 1899 C CG1 . VAL A 1 136 ? 8.059 3.104 26.952 1.00 10.22 ? 136 VAL A CG1 1 ATOM 1900 C CG2 . VAL A 1 136 ? 7.280 2.458 24.650 1.00 9.94 ? 136 VAL A CG2 1 ATOM 1901 H H . VAL A 1 136 ? 7.524 4.987 23.488 1.00 12.10 ? 136 VAL A H 1 ATOM 1902 H HA . VAL A 1 136 ? 6.180 4.631 25.715 1.00 12.15 ? 136 VAL A HA 1 ATOM 1903 H HB . VAL A 1 136 ? 8.804 3.743 25.157 1.00 12.15 ? 136 VAL A HB 1 ATOM 1904 H HG11 . VAL A 1 136 ? 7.585 3.723 27.529 1.00 12.26 ? 136 VAL A HG11 1 ATOM 1905 H HG12 . VAL A 1 136 ? 7.680 2.215 27.038 1.00 12.26 ? 136 VAL A HG12 1 ATOM 1906 H HG13 . VAL A 1 136 ? 9.000 3.087 27.187 1.00 12.26 ? 136 VAL A HG13 1 ATOM 1907 H HG21 . VAL A 1 136 ? 7.823 1.657 24.717 1.00 11.92 ? 136 VAL A HG21 1 ATOM 1908 H HG22 . VAL A 1 136 ? 6.385 2.280 24.979 1.00 11.92 ? 136 VAL A HG22 1 ATOM 1909 H HG23 . VAL A 1 136 ? 7.241 2.755 23.727 1.00 11.92 ? 136 VAL A HG23 1 ATOM 1910 N N . SER A 1 137 ? 6.955 6.069 27.507 1.00 11.35 ? 137 SER A N 1 ATOM 1911 C CA . SER A 1 137 ? 7.296 7.051 28.523 1.00 12.22 ? 137 SER A CA 1 ATOM 1912 C C . SER A 1 137 ? 7.404 6.314 29.857 1.00 11.62 ? 137 SER A C 1 ATOM 1913 O O . SER A 1 137 ? 6.613 5.423 30.120 1.00 12.24 ? 137 SER A O 1 ATOM 1914 C CB . SER A 1 137 ? 6.188 8.104 28.583 1.00 14.86 ? 137 SER A CB 1 ATOM 1915 O OG . SER A 1 137 ? 6.429 9.040 29.605 1.00 16.50 ? 137 SER A OG 1 ATOM 1916 H H . SER A 1 137 ? 6.278 5.584 27.723 1.00 13.62 ? 137 SER A H 1 ATOM 1917 H HA . SER A 1 137 ? 8.142 7.478 28.316 1.00 14.66 ? 137 SER A HA 1 ATOM 1918 H HB2 . SER A 1 137 ? 6.150 8.570 27.733 1.00 17.84 ? 137 SER A HB2 1 ATOM 1919 H HB3 . SER A 1 137 ? 5.342 7.662 28.755 1.00 17.84 ? 137 SER A HB3 1 ATOM 1920 H HG . SER A 1 137 ? 7.159 9.433 29.469 1.00 19.80 ? 137 SER A HG 1 ATOM 1921 N N . PRO A 1 138 ? 8.353 6.699 30.721 1.00 11.73 ? 138 PRO A N 1 ATOM 1922 C CA . PRO A 1 138 ? 9.268 7.839 30.615 1.00 12.27 ? 138 PRO A CA 1 ATOM 1923 C C . PRO A 1 138 ? 10.591 7.514 29.929 1.00 12.23 ? 138 PRO A C 1 ATOM 1924 O O . PRO A 1 138 ? 11.446 8.400 29.800 1.00 14.32 ? 138 PRO A O 1 ATOM 1925 C CB . PRO A 1 138 ? 9.522 8.198 32.072 1.00 12.82 ? 138 PRO A CB 1 ATOM 1926 C CG . PRO A 1 138 ? 9.444 6.882 32.793 1.00 12.62 ? 138 PRO A CG 1 ATOM 1927 C CD . PRO A 1 138 ? 8.378 6.102 32.074 1.00 12.43 ? 138 PRO A CD 1 ATOM 1928 H HA . PRO A 1 138 ? 8.839 8.584 30.165 1.00 14.73 ? 138 PRO A HA 1 ATOM 1929 H HB2 . PRO A 1 138 ? 10.404 8.592 32.165 1.00 15.38 ? 138 PRO A HB2 1 ATOM 1930 H HB3 . PRO A 1 138 ? 8.835 8.806 32.386 1.00 15.38 ? 138 PRO A HB3 1 ATOM 1931 H HG2 . PRO A 1 138 ? 10.299 6.427 32.736 1.00 15.15 ? 138 PRO A HG2 1 ATOM 1932 H HG3 . PRO A 1 138 ? 9.195 7.031 33.718 1.00 15.15 ? 138 PRO A HG3 1 ATOM 1933 H HD2 . PRO A 1 138 ? 8.622 5.165 32.024 1.00 14.92 ? 138 PRO A HD2 1 ATOM 1934 H HD3 . PRO A 1 138 ? 7.520 6.223 32.510 1.00 14.92 ? 138 PRO A HD3 1 ATOM 1935 N N . THR A 1 139 ? 10.768 6.267 29.513 1.00 10.96 ? 139 THR A N 1 ATOM 1936 C CA . THR A 1 139 ? 12.016 5.828 28.906 1.00 10.81 ? 139 THR A CA 1 ATOM 1937 C C . THR A 1 139 ? 11.709 5.361 27.497 1.00 11.04 ? 139 THR A C 1 ATOM 1938 O O . THR A 1 139 ? 11.127 4.300 27.311 1.00 11.10 ? 139 THR A O 1 ATOM 1939 C CB . THR A 1 139 ? 12.675 4.678 29.706 1.00 10.79 ? 139 THR A CB 1 ATOM 1940 O OG1 . THR A 1 139 ? 12.813 5.073 31.075 1.00 10.78 ? 139 THR A OG1 1 ATOM 1941 C CG2 . THR A 1 139 ? 14.048 4.353 29.144 1.00 11.88 ? 139 THR A CG2 1 ATOM 1942 H H . THR A 1 139 ? 10.173 5.648 29.571 1.00 13.15 ? 139 THR A H 1 ATOM 1943 H HA . THR A 1 139 ? 12.637 6.572 28.860 1.00 12.97 ? 139 THR A HA 1 ATOM 1944 H HB . THR A 1 139 ? 12.122 3.883 29.650 1.00 12.95 ? 139 THR A HB 1 ATOM 1945 H HG1 . THR A 1 139 ? 12.058 5.242 31.403 1.00 12.93 ? 139 THR A HG1 1 ATOM 1946 H HG21 . THR A 1 139 ? 14.451 3.632 29.652 1.00 14.26 ? 139 THR A HG21 1 ATOM 1947 H HG22 . THR A 1 139 ? 13.970 4.081 28.216 1.00 14.26 ? 139 THR A HG22 1 ATOM 1948 H HG23 . THR A 1 139 ? 14.620 5.135 29.196 1.00 14.26 ? 139 THR A HG23 1 ATOM 1949 N N . GLN A 1 140 ? 12.073 6.168 26.504 1.00 11.06 ? 140 GLN A N 1 ATOM 1950 C CA . GLN A 1 140 ? 11.806 5.833 25.109 1.00 10.83 ? 140 GLN A CA 1 ATOM 1951 C C . GLN A 1 140 ? 12.502 4.532 24.756 1.00 10.85 ? 140 GLN A C 1 ATOM 1952 O O . GLN A 1 140 ? 13.624 4.273 25.220 1.00 11.36 ? 140 GLN A O 1 ATOM 1953 C CB . GLN A 1 140 ? 12.305 6.959 24.204 1.00 12.34 ? 140 GLN A CB 1 ATOM 1954 C CG . GLN A 1 140 ? 11.868 6.868 22.756 1.00 14.44 ? 140 GLN A CG 1 ATOM 1955 C CD . GLN A 1 140 ? 12.217 8.127 22.004 1.00 15.37 ? 140 GLN A CD 1 ATOM 1956 O OE1 . GLN A 1 140 ? 13.382 8.521 21.935 1.00 17.55 ? 140 GLN A OE1 1 ATOM 1957 N NE2 . GLN A 1 140 ? 11.211 8.782 21.458 1.00 14.61 ? 140 GLN A NE2 1 ATOM 1958 H H . GLN A 1 140 ? 12.479 6.918 26.613 1.00 13.27 ? 140 GLN A H 1 ATOM 1959 H HA . GLN A 1 140 ? 10.852 5.723 24.975 1.00 13.00 ? 140 GLN A HA 1 ATOM 1960 H HB2 . GLN A 1 140 ? 11.977 7.803 24.555 1.00 14.80 ? 140 GLN A HB2 1 ATOM 1961 H HB3 . GLN A 1 140 ? 13.274 6.958 24.218 1.00 14.80 ? 140 GLN A HB3 1 ATOM 1962 H HG2 . GLN A 1 140 ? 12.321 6.123 22.330 1.00 17.33 ? 140 GLN A HG2 1 ATOM 1963 H HG3 . GLN A 1 140 ? 10.907 6.745 22.716 1.00 17.33 ? 140 GLN A HG3 1 ATOM 1964 H HE21 . GLN A 1 140 ? 10.408 8.484 21.540 1.00 17.54 ? 140 GLN A HE21 1 ATOM 1965 H HE22 . GLN A 1 140 ? 11.357 9.506 21.018 1.00 17.54 ? 140 GLN A HE22 1 ATOM 1966 N N . GLN A 1 141 ? 11.844 3.729 23.921 1.00 10.06 ? 141 GLN A N 1 ATOM 1967 C CA . GLN A 1 141 ? 12.346 2.415 23.547 1.00 10.23 ? 141 GLN A CA 1 ATOM 1968 C C . GLN A 1 141 ? 12.767 2.358 22.079 1.00 10.63 ? 141 GLN A C 1 ATOM 1969 O O . GLN A 1 141 ? 12.326 3.159 21.244 1.00 11.37 ? 141 GLN A O 1 ATOM 1970 C CB . GLN A 1 141 ? 11.289 1.347 23.829 1.00 10.39 ? 141 GLN A CB 1 ATOM 1971 C CG . GLN A 1 141 ? 10.899 1.291 25.296 1.00 11.13 ? 141 GLN A CG 1 ATOM 1972 C CD . GLN A 1 141 ? 12.032 0.831 26.185 1.00 10.97 ? 141 GLN A CD 1 ATOM 1973 O OE1 . GLN A 1 141 ? 12.609 -0.246 25.975 1.00 12.04 ? 141 GLN A OE1 1 ATOM 1974 N NE2 . GLN A 1 141 ? 12.364 1.639 27.182 1.00 11.16 ? 141 GLN A NE2 1 ATOM 1975 H H . GLN A 1 141 ? 11.093 3.929 23.554 1.00 12.07 ? 141 GLN A H 1 ATOM 1976 H HA . GLN A 1 141 ? 13.126 2.213 24.087 1.00 12.28 ? 141 GLN A HA 1 ATOM 1977 H HB2 . GLN A 1 141 ? 10.492 1.545 23.313 1.00 12.46 ? 141 GLN A HB2 1 ATOM 1978 H HB3 . GLN A 1 141 ? 11.641 0.478 23.578 1.00 12.46 ? 141 GLN A HB3 1 ATOM 1979 H HG2 . GLN A 1 141 ? 10.632 2.178 25.586 1.00 13.36 ? 141 GLN A HG2 1 ATOM 1980 H HG3 . GLN A 1 141 ? 10.162 0.671 25.404 1.00 13.36 ? 141 GLN A HG3 1 ATOM 1981 H HE21 . GLN A 1 141 ? 13.003 1.423 27.717 1.00 13.39 ? 141 GLN A HE21 1 ATOM 1982 H HE22 . GLN A 1 141 ? 11.941 2.379 27.295 1.00 13.39 ? 141 GLN A HE22 1 ATOM 1983 N N . LYS A 1 142 ? 13.622 1.387 21.774 1.00 10.77 ? 142 LYS A N 1 ATOM 1984 C CA . LYS A 1 142 ? 14.137 1.203 20.429 1.00 11.21 ? 142 LYS A CA 1 ATOM 1985 C C . LYS A 1 142 ? 13.258 0.290 19.593 1.00 10.29 ? 142 LYS A C 1 ATOM 1986 O O . LYS A 1 142 ? 12.659 -0.657 20.102 1.00 10.35 ? 142 LYS A O 1 ATOM 1987 C CB . LYS A 1 142 ? 15.535 0.603 20.491 1.00 12.08 ? 142 LYS A CB 1 ATOM 1988 C CG . LYS A 1 142 ? 16.571 1.575 21.065 1.00 14.38 ? 142 LYS A CG 1 ATOM 1989 C CD . LYS A 1 142 ? 17.954 0.953 21.111 1.00 17.93 ? 142 LYS A CD 1 ATOM 1990 C CE . LYS A 1 142 ? 18.995 1.961 21.572 1.00 20.89 ? 142 LYS A CE 1 ATOM 1991 H H . LYS A 1 142 ? 13.923 0.815 22.341 1.00 12.92 ? 142 LYS A H 1 ATOM 1992 H HA . LYS A 1 142 ? 14.193 2.064 19.985 1.00 13.45 ? 142 LYS A HA 1 ATOM 1993 H HB2 . LYS A 1 142 ? 15.517 -0.184 21.058 1.00 14.49 ? 142 LYS A HB2 1 ATOM 1994 H HB3 . LYS A 1 142 ? 15.816 0.360 19.595 1.00 14.49 ? 142 LYS A HB3 1 ATOM 1995 H HG2 . LYS A 1 142 ? 16.612 2.366 20.504 1.00 17.25 ? 142 LYS A HG2 1 ATOM 1996 H HG3 . LYS A 1 142 ? 16.316 1.817 21.969 1.00 17.25 ? 142 LYS A HG3 1 ATOM 1997 H HD2 . LYS A 1 142 ? 17.951 0.211 21.736 1.00 21.52 ? 142 LYS A HD2 1 ATOM 1998 H HD3 . LYS A 1 142 ? 18.198 0.647 20.224 1.00 21.52 ? 142 LYS A HD3 1 ATOM 1999 N N . THR A 1 143 ? 13.223 0.544 18.293 1.00 9.60 ? 143 THR A N 1 ATOM 2000 C CA . THR A 1 143 ? 12.534 -0.359 17.373 1.00 8.78 ? 143 THR A CA 1 ATOM 2001 C C . THR A 1 143 ? 13.254 -1.704 17.258 1.00 8.90 ? 143 THR A C 1 ATOM 2002 O O . THR A 1 143 ? 14.431 -1.856 17.609 1.00 9.30 ? 143 THR A O 1 ATOM 2003 C CB . THR A 1 143 ? 12.437 0.225 15.958 1.00 9.49 ? 143 THR A CB 1 ATOM 2004 O OG1 . THR A 1 143 ? 13.745 0.237 15.378 1.00 11.14 ? 143 THR A OG1 1 ATOM 2005 C CG2 . THR A 1 143 ? 11.821 1.630 15.942 1.00 9.95 ? 143 THR A CG2 1 ATOM 2006 H H . THR A 1 143 ? 13.586 1.227 17.916 1.00 11.52 ? 143 THR A H 1 ATOM 2007 H HA . THR A 1 143 ? 11.635 -0.521 17.698 1.00 10.54 ? 143 THR A HA 1 ATOM 2008 H HB . THR A 1 143 ? 11.867 -0.351 15.424 1.00 11.39 ? 143 THR A HB 1 ATOM 2009 H HG1 . THR A 1 143 ? 13.712 0.554 14.601 1.00 13.37 ? 143 THR A HG1 1 ATOM 2010 H HG21 . THR A 1 143 ? 10.924 1.602 16.311 1.00 11.94 ? 143 THR A HG21 1 ATOM 2011 H HG22 . THR A 1 143 ? 12.362 2.235 16.473 1.00 11.94 ? 143 THR A HG22 1 ATOM 2012 H HG23 . THR A 1 143 ? 11.777 1.962 15.032 1.00 11.94 ? 143 THR A HG23 1 ATOM 2013 N N . PHE A 1 144 ? 12.531 -2.671 16.716 1.00 8.96 ? 144 PHE A N 1 ATOM 2014 C CA . PHE A 1 144 ? 13.099 -3.973 16.427 1.00 9.44 ? 144 PHE A CA 1 ATOM 2015 C C . PHE A 1 144 ? 14.350 -3.855 15.549 1.00 9.20 ? 144 PHE A C 1 ATOM 2016 O O . PHE A 1 144 ? 15.368 -4.499 15.807 1.00 9.60 ? 144 PHE A O 1 ATOM 2017 C CB . PHE A 1 144 ? 12.027 -4.842 15.761 1.00 9.07 ? 144 PHE A CB 1 ATOM 2018 C CG . PHE A 1 144 ? 12.535 -6.189 15.299 1.00 8.73 ? 144 PHE A CG 1 ATOM 2019 C CD1 . PHE A 1 144 ? 12.653 -7.239 16.181 1.00 9.21 ? 144 PHE A CD1 1 ATOM 2020 C CD2 . PHE A 1 144 ? 12.885 -6.404 13.971 1.00 10.11 ? 144 PHE A CD2 1 ATOM 2021 C CE1 . PHE A 1 144 ? 13.121 -8.477 15.759 1.00 9.81 ? 144 PHE A CE1 1 ATOM 2022 C CE2 . PHE A 1 144 ? 13.353 -7.649 13.549 1.00 9.21 ? 144 PHE A CE2 1 ATOM 2023 C CZ . PHE A 1 144 ? 13.482 -8.671 14.449 1.00 9.59 ? 144 PHE A CZ 1 ATOM 2024 H H . PHE A 1 144 ? 11.701 -2.596 16.504 1.00 10.75 ? 144 PHE A H 1 ATOM 2025 H HA . PHE A 1 144 ? 13.356 -4.397 17.260 1.00 11.33 ? 144 PHE A HA 1 ATOM 2026 H HB2 . PHE A 1 144 ? 11.312 -4.998 16.397 1.00 10.89 ? 144 PHE A HB2 1 ATOM 2027 H HB3 . PHE A 1 144 ? 11.682 -4.373 14.986 1.00 10.89 ? 144 PHE A HB3 1 ATOM 2028 H HD1 . PHE A 1 144 ? 12.424 -7.116 17.074 1.00 11.06 ? 144 PHE A HD1 1 ATOM 2029 H HD2 . PHE A 1 144 ? 12.812 -5.709 13.358 1.00 12.13 ? 144 PHE A HD2 1 ATOM 2030 H HE1 . PHE A 1 144 ? 13.202 -9.174 16.369 1.00 11.77 ? 144 PHE A HE1 1 ATOM 2031 H HE2 . PHE A 1 144 ? 13.591 -7.779 12.660 1.00 11.06 ? 144 PHE A HE2 1 ATOM 2032 H HZ . PHE A 1 144 ? 13.785 -9.504 14.168 1.00 11.50 ? 144 PHE A HZ 1 ATOM 2033 N N . PHE A 1 145 ? 14.288 -3.021 14.517 1.00 9.01 ? 145 PHE A N 1 ATOM 2034 C CA . PHE A 1 145 ? 15.431 -2.846 13.627 1.00 9.09 ? 145 PHE A CA 1 ATOM 2035 C C . PHE A 1 145 ? 16.605 -2.220 14.355 1.00 9.76 ? 145 PHE A C 1 ATOM 2036 O O . PHE A 1 145 ? 17.735 -2.666 14.205 1.00 10.12 ? 145 PHE A O 1 ATOM 2037 C CB . PHE A 1 145 ? 15.018 -2.016 12.410 1.00 10.21 ? 145 PHE A CB 1 ATOM 2038 C CG . PHE A 1 145 ? 16.133 -1.725 11.432 1.00 11.27 ? 145 PHE A CG 1 ATOM 2039 C CD1 . PHE A 1 145 ? 16.892 -2.734 10.854 1.00 10.96 ? 145 PHE A CD1 1 ATOM 2040 C CD2 . PHE A 1 145 ? 16.392 -0.410 11.056 1.00 12.48 ? 145 PHE A CD2 1 ATOM 2041 C CE1 . PHE A 1 145 ? 17.928 -2.415 9.949 1.00 11.16 ? 145 PHE A CE1 1 ATOM 2042 C CE2 . PHE A 1 145 ? 17.388 -0.105 10.157 1.00 14.41 ? 145 PHE A CE2 1 ATOM 2043 C CZ . PHE A 1 145 ? 18.155 -1.111 9.604 1.00 13.09 ? 145 PHE A CZ 1 ATOM 2044 H H . PHE A 1 145 ? 13.600 -2.547 14.311 1.00 10.81 ? 145 PHE A H 1 ATOM 2045 H HA . PHE A 1 145 ? 15.712 -3.717 13.308 1.00 10.91 ? 145 PHE A HA 1 ATOM 2046 H HB2 . PHE A 1 145 ? 14.324 -2.495 11.930 1.00 12.25 ? 145 PHE A HB2 1 ATOM 2047 H HB3 . PHE A 1 145 ? 14.670 -1.165 12.720 1.00 12.25 ? 145 PHE A HB3 1 ATOM 2048 H HD1 . PHE A 1 145 ? 16.741 -3.620 11.091 1.00 13.15 ? 145 PHE A HD1 1 ATOM 2049 H HD2 . PHE A 1 145 ? 15.884 0.277 11.424 1.00 14.97 ? 145 PHE A HD2 1 ATOM 2050 H HE1 . PHE A 1 145 ? 18.438 -3.093 9.568 1.00 13.39 ? 145 PHE A HE1 1 ATOM 2051 H HE2 . PHE A 1 145 ? 17.550 0.781 9.928 1.00 17.29 ? 145 PHE A HE2 1 ATOM 2052 H HZ . PHE A 1 145 ? 18.831 -0.901 9.000 1.00 15.71 ? 145 PHE A HZ 1 ATOM 2053 N N . ASP A 1 146 ? 16.352 -1.194 15.160 1.00 10.84 ? 146 ASP A N 1 ATOM 2054 C CA A ASP A 1 146 ? 17.403 -0.530 15.915 0.47 12.33 ? 146 ASP A CA 1 ATOM 2055 C CA B ASP A 1 146 ? 17.450 -0.566 15.878 0.53 12.17 ? 146 ASP A CA 1 ATOM 2056 C C . ASP A 1 146 ? 18.102 -1.533 16.840 1.00 12.69 ? 146 ASP A C 1 ATOM 2057 O O . ASP A 1 146 ? 19.321 -1.556 16.944 1.00 14.06 ? 146 ASP A O 1 ATOM 2058 C CB A ASP A 1 146 ? 16.777 0.611 16.726 0.47 13.54 ? 146 ASP A CB 1 ATOM 2059 C CB B ASP A 1 146 ? 16.992 0.686 16.624 0.53 13.32 ? 146 ASP A CB 1 ATOM 2060 C CG A ASP A 1 146 ? 17.735 1.753 16.995 0.47 14.02 ? 146 ASP A CG 1 ATOM 2061 C CG B ASP A 1 146 ? 17.175 1.941 15.819 0.53 14.79 ? 146 ASP A CG 1 ATOM 2062 O OD1 A ASP A 1 146 ? 18.948 1.612 16.744 0.47 15.36 ? 146 ASP A OD1 1 ATOM 2063 O OD1 B ASP A 1 146 ? 17.766 1.876 14.725 0.53 16.30 ? 146 ASP A OD1 1 ATOM 2064 O OD2 A ASP A 1 146 ? 17.260 2.807 17.477 0.47 13.14 ? 146 ASP A OD2 1 ATOM 2065 O OD2 B ASP A 1 146 ? 16.732 3.001 16.290 0.53 15.68 ? 146 ASP A OD2 1 ATOM 2066 H H A ASP A 1 146 ? 15.569 -0.861 15.286 0.47 13.00 ? 146 ASP A H 1 ATOM 2067 H H B ASP A 1 146 ? 15.576 -0.851 15.304 0.53 13.00 ? 146 ASP A H 1 ATOM 2068 H HA A ASP A 1 146 ? 18.059 -0.157 15.306 0.47 14.80 ? 146 ASP A HA 1 ATOM 2069 H HA B ASP A 1 146 ? 18.123 -0.293 15.235 0.53 14.61 ? 146 ASP A HA 1 ATOM 2070 H HB2 A ASP A 1 146 ? 16.020 0.966 16.235 0.47 16.25 ? 146 ASP A HB2 1 ATOM 2071 H HB2 B ASP A 1 146 ? 16.049 0.601 16.836 0.53 15.99 ? 146 ASP A HB2 1 ATOM 2072 H HB3 A ASP A 1 146 ? 16.481 0.262 17.581 0.47 16.25 ? 146 ASP A HB3 1 ATOM 2073 H HB3 B ASP A 1 146 ? 17.508 0.775 17.440 0.53 15.99 ? 146 ASP A HB3 1 ATOM 2074 N N . ASN A 1 147 ? 17.317 -2.360 17.515 1.00 11.12 ? 147 ASN A N 1 ATOM 2075 C CA . ASN A 1 147 ? 17.884 -3.380 18.397 1.00 11.48 ? 147 ASN A CA 1 ATOM 2076 C C . ASN A 1 147 ? 18.677 -4.440 17.649 1.00 12.40 ? 147 ASN A C 1 ATOM 2077 O O . ASN A 1 147 ? 19.702 -4.897 18.141 1.00 14.16 ? 147 ASN A O 1 ATOM 2078 C CB . ASN A 1 147 ? 16.795 -4.063 19.211 1.00 11.95 ? 147 ASN A CB 1 ATOM 2079 C CG . ASN A 1 147 ? 16.333 -3.239 20.384 1.00 12.18 ? 147 ASN A CG 1 ATOM 2080 O OD1 . ASN A 1 147 ? 17.123 -2.535 21.026 1.00 13.98 ? 147 ASN A OD1 1 ATOM 2081 N ND2 . ASN A 1 147 ? 15.038 -3.325 20.682 1.00 12.16 ? 147 ASN A ND2 1 ATOM 2082 H H . ASN A 1 147 ? 16.458 -2.356 17.484 1.00 13.35 ? 147 ASN A H 1 ATOM 2083 H HA . ASN A 1 147 ? 18.489 -2.947 19.019 1.00 13.78 ? 147 ASN A HA 1 ATOM 2084 H HB2 . ASN A 1 147 ? 16.029 -4.225 18.639 1.00 14.34 ? 147 ASN A HB2 1 ATOM 2085 H HB3 . ASN A 1 147 ? 17.138 -4.903 19.553 1.00 14.34 ? 147 ASN A HB3 1 ATOM 2086 H HD21 . ASN A 1 147 ? 14.718 -2.876 21.342 1.00 14.59 ? 147 ASN A HD21 1 ATOM 2087 H HD22 . ASN A 1 147 ? 14.522 -3.830 20.214 1.00 14.59 ? 147 ASN A HD22 1 ATOM 2088 N N . ALA A 1 148 ? 18.217 -4.816 16.462 1.00 10.94 ? 148 ALA A N 1 ATOM 2089 C CA . ALA A 1 148 ? 18.870 -5.869 15.681 1.00 11.53 ? 148 ALA A CA 1 ATOM 2090 C C . ALA A 1 148 ? 20.118 -5.415 14.938 1.00 11.57 ? 148 ALA A C 1 ATOM 2091 O O . ALA A 1 148 ? 20.959 -6.228 14.575 1.00 11.87 ? 148 ALA A O 1 ATOM 2092 C CB . ALA A 1 148 ? 17.888 -6.445 14.676 1.00 12.19 ? 148 ALA A CB 1 ATOM 2093 H H . ALA A 1 148 ? 17.523 -4.478 16.082 1.00 13.12 ? 148 ALA A H 1 ATOM 2094 H HA . ALA A 1 148 ? 19.131 -6.584 16.282 1.00 13.83 ? 148 ALA A HA 1 ATOM 2095 H HB1 . ALA A 1 148 ? 17.591 -5.737 14.084 1.00 14.63 ? 148 ALA A HB1 1 ATOM 2096 H HB2 . ALA A 1 148 ? 18.331 -7.141 14.165 1.00 14.63 ? 148 ALA A HB2 1 ATOM 2097 H HB3 . ALA A 1 148 ? 17.130 -6.818 15.154 1.00 14.63 ? 148 ALA A HB3 1 ATOM 2098 N N . LYS A 1 149 ? 20.218 -4.113 14.699 1.00 13.15 ? 149 LYS A N 1 ATOM 2099 C CA . LYS A 1 149 ? 21.140 -3.547 13.716 1.00 16.46 ? 149 LYS A CA 1 ATOM 2100 C C . LYS A 1 149 ? 22.583 -4.007 13.856 1.00 17.92 ? 149 LYS A C 1 ATOM 2101 O O . LYS A 1 149 ? 23.218 -4.395 12.868 1.00 18.27 ? 149 LYS A O 1 ATOM 2102 C CB . LYS A 1 149 ? 21.072 -2.018 13.808 1.00 20.29 ? 149 LYS A CB 1 ATOM 2103 C CG . LYS A 1 149 ? 21.515 -1.297 12.571 1.00 23.91 ? 149 LYS A CG 1 ATOM 2104 C CD . LYS A 1 149 ? 21.307 0.194 12.735 1.00 25.57 ? 149 LYS A CD 1 ATOM 2105 C CE . LYS A 1 149 ? 19.934 0.617 12.255 1.00 26.50 ? 149 LYS A CE 1 ATOM 2106 H H . LYS A 1 149 ? 19.748 -3.518 15.105 1.00 15.78 ? 149 LYS A H 1 ATOM 2107 H HA . LYS A 1 149 ? 20.838 -3.801 12.830 1.00 19.75 ? 149 LYS A HA 1 ATOM 2108 H HB2 . LYS A 1 149 ? 20.155 -1.759 13.986 1.00 24.35 ? 149 LYS A HB2 1 ATOM 2109 H HB3 . LYS A 1 149 ? 21.641 -1.727 14.537 1.00 24.35 ? 149 LYS A HB3 1 ATOM 2110 H HG2 . LYS A 1 149 ? 22.458 -1.461 12.420 1.00 28.70 ? 149 LYS A HG2 1 ATOM 2111 H HG3 . LYS A 1 149 ? 20.990 -1.600 11.814 1.00 28.70 ? 149 LYS A HG3 1 ATOM 2112 H HD2 . LYS A 1 149 ? 21.387 0.428 13.673 1.00 30.68 ? 149 LYS A HD2 1 ATOM 2113 H HD3 . LYS A 1 149 ? 21.972 0.669 12.212 1.00 30.68 ? 149 LYS A HD3 1 ATOM 2114 N N . ALA A 1 150 ? 23.109 -3.959 15.073 1.00 18.23 ? 150 ALA A N 1 ATOM 2115 C CA . ALA A 1 150 ? 24.505 -4.279 15.294 1.00 19.94 ? 150 ALA A CA 1 ATOM 2116 C C . ALA A 1 150 ? 24.808 -5.733 14.975 1.00 20.51 ? 150 ALA A C 1 ATOM 2117 O O . ALA A 1 150 ? 25.944 -6.064 14.626 1.00 22.33 ? 150 ALA A O 1 ATOM 2118 C CB . ALA A 1 150 ? 24.866 -3.977 16.738 1.00 20.92 ? 150 ALA A CB 1 ATOM 2119 H H . ALA A 1 150 ? 22.677 -3.745 15.785 1.00 21.88 ? 150 ALA A H 1 ATOM 2120 H HA . ALA A 1 150 ? 25.055 -3.722 14.721 1.00 23.93 ? 150 ALA A HA 1 ATOM 2121 H HB1 . ALA A 1 150 ? 24.310 -4.516 17.321 1.00 25.11 ? 150 ALA A HB1 1 ATOM 2122 H HB2 . ALA A 1 150 ? 25.801 -4.193 16.880 1.00 25.11 ? 150 ALA A HB2 1 ATOM 2123 H HB3 . ALA A 1 150 ? 24.714 -3.035 16.910 1.00 25.11 ? 150 ALA A HB3 1 ATOM 2124 N N . SER A 1 151 ? 23.799 -6.593 15.098 1.00 18.56 ? 151 SER A N 1 ATOM 2125 C CA A SER A 1 151 ? 23.978 -8.020 14.856 0.56 17.47 ? 151 SER A CA 1 ATOM 2126 C CA B SER A 1 151 ? 23.956 -8.028 14.860 0.44 17.43 ? 151 SER A CA 1 ATOM 2127 C C . SER A 1 151 ? 23.829 -8.376 13.383 1.00 15.71 ? 151 SER A C 1 ATOM 2128 O O . SER A 1 151 ? 24.295 -9.413 12.943 1.00 15.98 ? 151 SER A O 1 ATOM 2129 C CB A SER A 1 151 ? 22.984 -8.825 15.686 0.56 18.50 ? 151 SER A CB 1 ATOM 2130 C CB B SER A 1 151 ? 22.920 -8.832 15.656 0.44 18.39 ? 151 SER A CB 1 ATOM 2131 O OG A SER A 1 151 ? 23.133 -8.526 17.062 0.56 19.72 ? 151 SER A OG 1 ATOM 2132 O OG B SER A 1 151 ? 21.680 -8.936 14.964 0.44 19.53 ? 151 SER A OG 1 ATOM 2133 H H A SER A 1 151 ? 22.999 -6.373 15.322 0.56 22.27 ? 151 SER A H 1 ATOM 2134 H H B SER A 1 151 ? 23.001 -6.366 15.323 0.44 22.27 ? 151 SER A H 1 ATOM 2135 H HA A SER A 1 151 ? 24.872 -8.274 15.134 0.56 20.97 ? 151 SER A HA 1 ATOM 2136 H HA B SER A 1 151 ? 24.838 -8.301 15.157 0.44 20.92 ? 151 SER A HA 1 ATOM 2137 H HB2 A SER A 1 151 ? 22.082 -8.599 15.408 0.56 22.19 ? 151 SER A HB2 1 ATOM 2138 H HB2 B SER A 1 151 ? 23.268 -9.724 15.809 0.44 22.07 ? 151 SER A HB2 1 ATOM 2139 H HB3 A SER A 1 151 ? 23.148 -9.771 15.548 0.56 22.19 ? 151 SER A HB3 1 ATOM 2140 H HB3 B SER A 1 151 ? 22.767 -8.389 16.505 0.44 22.07 ? 151 SER A HB3 1 ATOM 2141 H HG A SER A 1 151 ? 22.995 -7.708 17.195 0.56 23.66 ? 151 SER A HG 1 ATOM 2142 H HG B SER A 1 151 ? 21.132 -9.380 15.421 0.44 23.44 ? 151 SER A HG 1 ATOM 2143 N N . LEU A 1 152 ? 23.193 -7.504 12.617 1.00 14.39 ? 152 LEU A N 1 ATOM 2144 C CA . LEU A 1 152 ? 22.947 -7.781 11.201 1.00 12.79 ? 152 LEU A CA 1 ATOM 2145 C C . LEU A 1 152 ? 24.217 -7.795 10.361 1.00 12.61 ? 152 LEU A C 1 ATOM 2146 O O . LEU A 1 152 ? 25.164 -7.062 10.635 1.00 14.42 ? 152 LEU A O 1 ATOM 2147 C CB . LEU A 1 152 ? 22.000 -6.733 10.622 1.00 12.40 ? 152 LEU A CB 1 ATOM 2148 C CG . LEU A 1 152 ? 20.589 -6.722 11.199 1.00 12.63 ? 152 LEU A CG 1 ATOM 2149 C CD1 . LEU A 1 152 ? 19.785 -5.584 10.582 1.00 13.91 ? 152 LEU A CD1 1 ATOM 2150 C CD2 . LEU A 1 152 ? 19.895 -8.078 11.004 1.00 13.87 ? 152 LEU A CD2 1 ATOM 2151 H H . LEU A 1 152 ? 22.892 -6.745 12.887 1.00 17.27 ? 152 LEU A H 1 ATOM 2152 H HA . LEU A 1 152 ? 22.523 -8.649 11.118 1.00 15.35 ? 152 LEU A HA 1 ATOM 2153 H HB2 . LEU A 1 152 ? 22.383 -5.856 10.777 1.00 14.88 ? 152 LEU A HB2 1 ATOM 2154 H HB3 . LEU A 1 152 ? 21.921 -6.887 9.667 1.00 14.88 ? 152 LEU A HB3 1 ATOM 2155 H HG . LEU A 1 152 ? 20.647 -6.557 12.153 1.00 15.16 ? 152 LEU A HG 1 ATOM 2156 H HD11 . LEU A 1 152 ? 20.224 -4.743 10.784 1.00 16.69 ? 152 LEU A HD11 1 ATOM 2157 H HD12 . LEU A 1 152 ? 19.741 -5.713 9.622 1.00 16.69 ? 152 LEU A HD12 1 ATOM 2158 H HD13 . LEU A 1 152 ? 18.891 -5.590 10.959 1.00 16.69 ? 152 LEU A HD13 1 ATOM 2159 H HD21 . LEU A 1 152 ? 19.003 -8.033 11.382 1.00 16.64 ? 152 LEU A HD21 1 ATOM 2160 H HD22 . LEU A 1 152 ? 19.843 -8.272 10.055 1.00 16.64 ? 152 LEU A HD22 1 ATOM 2161 H HD23 . LEU A 1 152 ? 20.412 -8.764 11.455 1.00 16.64 ? 152 LEU A HD23 1 ATOM 2162 N N . ASP A 1 153 ? 24.214 -8.598 9.302 1.00 11.49 ? 153 ASP A N 1 ATOM 2163 C CA . ASP A 1 153 ? 25.352 -8.628 8.390 1.00 12.63 ? 153 ASP A CA 1 ATOM 2164 C C . ASP A 1 153 ? 25.598 -7.251 7.771 1.00 13.18 ? 153 ASP A C 1 ATOM 2165 O O . ASP A 1 153 ? 26.742 -6.849 7.563 1.00 15.20 ? 153 ASP A O 1 ATOM 2166 C CB . ASP A 1 153 ? 25.148 -9.658 7.280 1.00 13.52 ? 153 ASP A CB 1 ATOM 2167 C CG . ASP A 1 153 ? 25.182 -11.094 7.785 1.00 15.22 ? 153 ASP A CG 1 ATOM 2168 O OD1 . ASP A 1 153 ? 25.446 -11.329 8.982 1.00 15.99 ? 153 ASP A OD1 1 ATOM 2169 O OD2 . ASP A 1 153 ? 24.941 -11.991 6.960 1.00 15.53 ? 153 ASP A OD2 1 ATOM 2170 H H . ASP A 1 153 ? 23.573 -9.131 9.091 1.00 13.78 ? 153 ASP A H 1 ATOM 2171 H HA . ASP A 1 153 ? 26.147 -8.878 8.887 1.00 15.16 ? 153 ASP A HA 1 ATOM 2172 H HB2 . ASP A 1 153 ? 24.284 -9.507 6.866 1.00 16.22 ? 153 ASP A HB2 1 ATOM 2173 H HB3 . ASP A 1 153 ? 25.853 -9.556 6.622 1.00 16.22 ? 153 ASP A HB3 1 ATOM 2174 N N . SER A 1 154 ? 24.510 -6.543 7.481 1.00 12.54 ? 154 SER A N 1 ATOM 2175 C CA . SER A 1 154 ? 24.537 -5.187 6.949 1.00 12.07 ? 154 SER A CA 1 ATOM 2176 C C . SER A 1 154 ? 23.369 -4.452 7.598 1.00 11.50 ? 154 SER A C 1 ATOM 2177 O O . SER A 1 154 ? 22.321 -5.057 7.811 1.00 11.62 ? 154 SER A O 1 ATOM 2178 C CB . SER A 1 154 ? 24.387 -5.232 5.424 1.00 14.13 ? 154 SER A CB 1 ATOM 2179 O OG . SER A 1 154 ? 24.441 -3.958 4.809 1.00 16.69 ? 154 SER A OG 1 ATOM 2180 H H . SER A 1 154 ? 23.712 -6.843 7.590 1.00 15.05 ? 154 SER A H 1 ATOM 2181 H HA . SER A 1 154 ? 25.369 -4.746 7.182 1.00 14.48 ? 154 SER A HA 1 ATOM 2182 H HB2 . SER A 1 154 ? 25.102 -5.778 5.062 1.00 16.95 ? 154 SER A HB2 1 ATOM 2183 H HB3 . SER A 1 154 ? 23.531 -5.638 5.213 1.00 16.95 ? 154 SER A HB3 1 ATOM 2184 H HG . SER A 1 154 ? 23.823 -3.471 5.103 1.00 20.03 ? 154 SER A HG 1 ATOM 2185 N N . PRO A 1 155 ? 23.540 -3.166 7.937 1.00 11.98 ? 155 PRO A N 1 ATOM 2186 C CA . PRO A 1 155 ? 22.513 -2.476 8.727 1.00 11.82 ? 155 PRO A CA 1 ATOM 2187 C C . PRO A 1 155 ? 21.353 -1.955 7.867 1.00 11.13 ? 155 PRO A C 1 ATOM 2188 O O . PRO A 1 155 ? 21.128 -0.744 7.750 1.00 10.77 ? 155 PRO A O 1 ATOM 2189 C CB . PRO A 1 155 ? 23.298 -1.336 9.374 1.00 13.13 ? 155 PRO A CB 1 ATOM 2190 C CG . PRO A 1 155 ? 24.336 -1.007 8.347 1.00 13.74 ? 155 PRO A CG 1 ATOM 2191 C CD . PRO A 1 155 ? 24.738 -2.329 7.738 1.00 12.91 ? 155 PRO A CD 1 ATOM 2192 H HA . PRO A 1 155 ? 22.166 -3.063 9.418 1.00 14.19 ? 155 PRO A HA 1 ATOM 2193 H HB2 . PRO A 1 155 ? 22.713 -0.579 9.534 1.00 15.75 ? 155 PRO A HB2 1 ATOM 2194 H HB3 . PRO A 1 155 ? 23.708 -1.641 10.198 1.00 15.75 ? 155 PRO A HB3 1 ATOM 2195 H HG2 . PRO A 1 155 ? 23.954 -0.423 7.673 1.00 16.49 ? 155 PRO A HG2 1 ATOM 2196 H HG3 . PRO A 1 155 ? 25.096 -0.583 8.775 1.00 16.49 ? 155 PRO A HG3 1 ATOM 2197 H HD2 . PRO A 1 155 ? 24.926 -2.224 6.793 1.00 15.49 ? 155 PRO A HD2 1 ATOM 2198 H HD3 . PRO A 1 155 ? 25.496 -2.704 8.213 1.00 15.49 ? 155 PRO A HD3 1 ATOM 2199 N N . VAL A 1 156 ? 20.620 -2.893 7.285 1.00 9.85 ? 156 VAL A N 1 ATOM 2200 C CA . VAL A 1 156 ? 19.598 -2.573 6.304 1.00 9.40 ? 156 VAL A CA 1 ATOM 2201 C C . VAL A 1 156 ? 18.394 -3.485 6.485 1.00 8.94 ? 156 VAL A C 1 ATOM 2202 O O . VAL A 1 156 ? 18.507 -4.584 7.033 1.00 8.90 ? 156 VAL A O 1 ATOM 2203 C CB . VAL A 1 156 ? 20.135 -2.756 4.859 1.00 10.96 ? 156 VAL A CB 1 ATOM 2204 C CG1 . VAL A 1 156 ? 21.369 -1.917 4.616 1.00 12.53 ? 156 VAL A CG1 1 ATOM 2205 C CG2 . VAL A 1 156 ? 20.422 -4.232 4.535 1.00 12.72 ? 156 VAL A CG2 1 ATOM 2206 H H . VAL A 1 156 ? 20.698 -3.735 7.445 1.00 11.82 ? 156 VAL A H 1 ATOM 2207 H HA . VAL A 1 156 ? 19.312 -1.653 6.416 1.00 11.28 ? 156 VAL A HA 1 ATOM 2208 H HB . VAL A 1 156 ? 19.453 -2.453 4.240 1.00 13.15 ? 156 VAL A HB 1 ATOM 2209 H HG11 . VAL A 1 156 ? 21.673 -2.059 3.706 1.00 15.03 ? 156 VAL A HG11 1 ATOM 2210 H HG12 . VAL A 1 156 ? 21.146 -0.983 4.749 1.00 15.03 ? 156 VAL A HG12 1 ATOM 2211 H HG13 . VAL A 1 156 ? 22.061 -2.185 5.241 1.00 15.03 ? 156 VAL A HG13 1 ATOM 2212 H HG21 . VAL A 1 156 ? 20.207 -4.772 5.312 1.00 15.26 ? 156 VAL A HG21 1 ATOM 2213 H HG22 . VAL A 1 156 ? 19.874 -4.502 3.782 1.00 15.26 ? 156 VAL A HG22 1 ATOM 2214 H HG23 . VAL A 1 156 ? 21.361 -4.329 4.313 1.00 15.26 ? 156 VAL A HG23 1 ATOM 2215 N N . PHE A 1 157 ? 17.236 -3.020 6.036 1.00 8.54 ? 157 PHE A N 1 ATOM 2216 C CA . PHE A 1 157 ? 16.130 -3.919 5.768 1.00 8.10 ? 157 PHE A CA 1 ATOM 2217 C C . PHE A 1 157 ? 15.526 -3.525 4.428 1.00 8.12 ? 157 PHE A C 1 ATOM 2218 O O . PHE A 1 157 ? 15.745 -2.414 3.953 1.00 8.59 ? 157 PHE A O 1 ATOM 2219 C CB . PHE A 1 157 ? 15.089 -3.966 6.907 1.00 8.60 ? 157 PHE A CB 1 ATOM 2220 C CG . PHE A 1 157 ? 14.296 -2.688 7.101 1.00 8.37 ? 157 PHE A CG 1 ATOM 2221 C CD1 . PHE A 1 157 ? 13.088 -2.494 6.446 1.00 8.51 ? 157 PHE A CD1 1 ATOM 2222 C CD2 . PHE A 1 157 ? 14.722 -1.710 7.982 1.00 9.04 ? 157 PHE A CD2 1 ATOM 2223 C CE1 . PHE A 1 157 ? 12.356 -1.343 6.632 1.00 9.28 ? 157 PHE A CE1 1 ATOM 2224 C CE2 . PHE A 1 157 ? 13.988 -0.553 8.172 1.00 9.72 ? 157 PHE A CE2 1 ATOM 2225 C CZ . PHE A 1 157 ? 12.800 -0.374 7.498 1.00 9.51 ? 157 PHE A CZ 1 ATOM 2226 H H . PHE A 1 157 ? 17.068 -2.192 5.879 1.00 10.25 ? 157 PHE A H 1 ATOM 2227 H HA . PHE A 1 157 ? 16.486 -4.816 5.670 1.00 9.72 ? 157 PHE A HA 1 ATOM 2228 H HB2 . PHE A 1 157 ? 14.456 -4.677 6.718 1.00 10.32 ? 157 PHE A HB2 1 ATOM 2229 H HB3 . PHE A 1 157 ? 15.550 -4.154 7.740 1.00 10.32 ? 157 PHE A HB3 1 ATOM 2230 H HD1 . PHE A 1 157 ? 12.779 -3.143 5.855 1.00 10.21 ? 157 PHE A HD1 1 ATOM 2231 H HD2 . PHE A 1 157 ? 15.524 -1.823 8.439 1.00 10.85 ? 157 PHE A HD2 1 ATOM 2232 H HE1 . PHE A 1 157 ? 11.554 -1.224 6.176 1.00 11.13 ? 157 PHE A HE1 1 ATOM 2233 H HE2 . PHE A 1 157 ? 14.293 0.101 8.759 1.00 11.66 ? 157 PHE A HE2 1 ATOM 2234 H HZ . PHE A 1 157 ? 12.305 0.403 7.624 1.00 11.41 ? 157 PHE A HZ 1 ATOM 2235 N N . THR A 1 158 ? 14.814 -4.458 3.800 1.00 7.72 ? 158 THR A N 1 ATOM 2236 C CA . THR A 1 158 ? 14.209 -4.205 2.495 1.00 7.25 ? 158 THR A CA 1 ATOM 2237 C C . THR A 1 158 ? 12.739 -4.567 2.515 1.00 7.34 ? 158 THR A C 1 ATOM 2238 O O . THR A 1 158 ? 12.334 -5.506 3.198 1.00 7.64 ? 158 THR A O 1 ATOM 2239 C CB . THR A 1 158 ? 14.948 -4.951 1.352 1.00 8.34 ? 158 THR A CB 1 ATOM 2240 O OG1 . THR A 1 158 ? 14.812 -6.366 1.493 1.00 7.96 ? 158 THR A OG1 1 ATOM 2241 C CG2 . THR A 1 158 ? 16.423 -4.623 1.358 1.00 8.47 ? 158 THR A CG2 1 ATOM 2242 H H . THR A 1 158 ? 14.666 -5.247 4.109 1.00 9.26 ? 158 THR A H 1 ATOM 2243 H HA . THR A 1 158 ? 14.271 -3.255 2.309 1.00 8.70 ? 158 THR A HA 1 ATOM 2244 H HB . THR A 1 158 ? 14.578 -4.677 0.498 1.00 10.01 ? 158 THR A HB 1 ATOM 2245 H HG1 . THR A 1 158 ? 15.137 -6.614 2.227 1.00 9.56 ? 158 THR A HG1 1 ATOM 2246 H HG21 . THR A 1 158 ? 16.551 -3.669 1.235 1.00 10.16 ? 158 THR A HG21 1 ATOM 2247 H HG22 . THR A 1 158 ? 16.818 -4.888 2.203 1.00 10.16 ? 158 THR A HG22 1 ATOM 2248 H HG23 . THR A 1 158 ? 16.870 -5.096 0.638 1.00 10.16 ? 158 THR A HG23 1 ATOM 2249 N N . ALA A 1 159 ? 11.950 -3.780 1.787 1.00 7.74 ? 159 ALA A N 1 ATOM 2250 C CA . ALA A 1 159 ? 10.531 -4.029 1.595 1.00 7.94 ? 159 ALA A CA 1 ATOM 2251 C C . ALA A 1 159 ? 10.291 -4.338 0.133 1.00 7.53 ? 159 ALA A C 1 ATOM 2252 O O . ALA A 1 159 ? 10.627 -3.548 -0.749 1.00 8.47 ? 159 ALA A O 1 ATOM 2253 C CB . ALA A 1 159 ? 9.726 -2.824 1.995 1.00 8.94 ? 159 ALA A CB 1 ATOM 2254 H H . ALA A 1 159 ? 12.228 -3.074 1.382 1.00 9.28 ? 159 ALA A H 1 ATOM 2255 H HA . ALA A 1 159 ? 10.252 -4.789 2.130 1.00 9.53 ? 159 ALA A HA 1 ATOM 2256 H HB1 . ALA A 1 159 ? 9.892 -2.630 2.930 1.00 10.73 ? 159 ALA A HB1 1 ATOM 2257 H HB2 . ALA A 1 159 ? 9.994 -2.070 1.447 1.00 10.73 ? 159 ALA A HB2 1 ATOM 2258 H HB3 . ALA A 1 159 ? 8.785 -3.015 1.858 1.00 10.73 ? 159 ALA A HB3 1 ATOM 2259 N N . ASP A 1 160 ? 9.678 -5.487 -0.109 1.00 7.39 ? 160 ASP A N 1 ATOM 2260 C CA . ASP A 1 160 ? 9.341 -5.960 -1.454 1.00 7.61 ? 160 ASP A CA 1 ATOM 2261 C C . ASP A 1 160 ? 7.879 -6.378 -1.418 1.00 7.50 ? 160 ASP A C 1 ATOM 2262 O O . ASP A 1 160 ? 7.555 -7.553 -1.303 1.00 8.73 ? 160 ASP A O 1 ATOM 2263 C CB . ASP A 1 160 ? 10.265 -7.130 -1.805 1.00 8.07 ? 160 ASP A CB 1 ATOM 2264 C CG . ASP A 1 160 ? 10.020 -7.707 -3.162 1.00 9.89 ? 160 ASP A CG 1 ATOM 2265 O OD1 . ASP A 1 160 ? 9.255 -7.153 -3.971 1.00 11.11 ? 160 ASP A OD1 1 ATOM 2266 O OD2 . ASP A 1 160 ? 10.620 -8.767 -3.417 1.00 11.24 ? 160 ASP A OD2 1 ATOM 2267 H H . ASP A 1 160 ? 9.436 -6.033 0.510 1.00 8.87 ? 160 ASP A H 1 ATOM 2268 H HA . ASP A 1 160 ? 9.458 -5.249 -2.103 1.00 9.13 ? 160 ASP A HA 1 ATOM 2269 H HB2 . ASP A 1 160 ? 11.184 -6.821 -1.776 1.00 9.68 ? 160 ASP A HB2 1 ATOM 2270 H HB3 . ASP A 1 160 ? 10.136 -7.837 -1.154 1.00 9.68 ? 160 ASP A HB3 1 ATOM 2271 N N . LEU A 1 161 ? 6.997 -5.387 -1.479 1.00 7.64 ? 161 LEU A N 1 ATOM 2272 C CA . LEU A 1 161 ? 5.573 -5.621 -1.354 1.00 7.75 ? 161 LEU A CA 1 ATOM 2273 C C . LEU A 1 161 ? 4.990 -6.087 -2.685 1.00 8.35 ? 161 LEU A C 1 ATOM 2274 O O . LEU A 1 161 ? 5.342 -5.570 -3.736 1.00 10.06 ? 161 LEU A O 1 ATOM 2275 C CB . LEU A 1 161 ? 4.868 -4.347 -0.898 1.00 8.14 ? 161 LEU A CB 1 ATOM 2276 C CG . LEU A 1 161 ? 5.344 -3.755 0.430 1.00 9.00 ? 161 LEU A CG 1 ATOM 2277 C CD1 . LEU A 1 161 ? 4.543 -2.505 0.726 1.00 10.86 ? 161 LEU A CD1 1 ATOM 2278 C CD2 . LEU A 1 161 ? 5.216 -4.753 1.563 1.00 10.45 ? 161 LEU A CD2 1 ATOM 2279 H H . LEU A 1 161 ? 7.205 -4.561 -1.593 1.00 9.16 ? 161 LEU A H 1 ATOM 2280 H HA . LEU A 1 161 ? 5.417 -6.312 -0.692 1.00 9.30 ? 161 LEU A HA 1 ATOM 2281 H HB2 . LEU A 1 161 ? 4.995 -3.668 -1.579 1.00 9.77 ? 161 LEU A HB2 1 ATOM 2282 H HB3 . LEU A 1 161 ? 3.922 -4.538 -0.806 1.00 9.77 ? 161 LEU A HB3 1 ATOM 2283 H HG . LEU A 1 161 ? 6.278 -3.505 0.352 1.00 10.80 ? 161 LEU A HG 1 ATOM 2284 H HD11 . LEU A 1 161 ? 4.844 -2.129 1.568 1.00 13.03 ? 161 LEU A HD11 1 ATOM 2285 H HD12 . LEU A 1 161 ? 4.681 -1.866 0.009 1.00 13.03 ? 161 LEU A HD12 1 ATOM 2286 H HD13 . LEU A 1 161 ? 3.604 -2.739 0.784 1.00 13.03 ? 161 LEU A HD13 1 ATOM 2287 H HD21 . LEU A 1 161 ? 5.527 -4.340 2.384 1.00 12.54 ? 161 LEU A HD21 1 ATOM 2288 H HD22 . LEU A 1 161 ? 4.284 -5.009 1.653 1.00 12.54 ? 161 LEU A HD22 1 ATOM 2289 H HD23 . LEU A 1 161 ? 5.755 -5.533 1.359 1.00 12.54 ? 161 LEU A HD23 1 ATOM 2290 N N . GLY A 1 162 ? 4.052 -7.026 -2.625 1.00 9.40 ? 162 GLY A N 1 ATOM 2291 C CA . GLY A 1 162 ? 3.394 -7.530 -3.810 1.00 9.33 ? 162 GLY A CA 1 ATOM 2292 C C . GLY A 1 162 ? 2.132 -6.780 -4.170 1.00 9.72 ? 162 GLY A C 1 ATOM 2293 O O . GLY A 1 162 ? 1.459 -6.225 -3.322 1.00 11.86 ? 162 GLY A O 1 ATOM 2294 H H . GLY A 1 162 ? 3.779 -7.390 -1.895 1.00 11.28 ? 162 GLY A H 1 ATOM 2295 H HA2 . GLY A 1 162 ? 4.005 -7.475 -4.562 1.00 11.20 ? 162 GLY A HA2 1 ATOM 2296 H HA3 . GLY A 1 162 ? 3.164 -8.463 -3.674 1.00 11.20 ? 162 GLY A HA3 1 ATOM 2297 N N . TYR A 1 163 ? 1.816 -6.774 -5.455 1.00 11.41 ? 163 TYR A N 1 ATOM 2298 C CA . TYR A 1 163 ? 0.518 -6.319 -5.938 1.00 11.46 ? 163 TYR A CA 1 ATOM 2299 C C . TYR A 1 163 ? -0.427 -7.510 -5.964 1.00 11.13 ? 163 TYR A C 1 ATOM 2300 O O . TYR A 1 163 ? -0.244 -8.458 -6.737 1.00 11.31 ? 163 TYR A O 1 ATOM 2301 C CB . TYR A 1 163 ? 0.647 -5.722 -7.338 1.00 12.14 ? 163 TYR A CB 1 ATOM 2302 C CG . TYR A 1 163 ? -0.678 -5.476 -8.024 1.00 12.80 ? 163 TYR A CG 1 ATOM 2303 C CD1 . TYR A 1 163 ? -1.582 -4.549 -7.536 1.00 13.19 ? 163 TYR A CD1 1 ATOM 2304 C CD2 . TYR A 1 163 ? -1.013 -6.174 -9.167 1.00 13.78 ? 163 TYR A CD2 1 ATOM 2305 C CE1 . TYR A 1 163 ? -2.783 -4.324 -8.171 1.00 14.67 ? 163 TYR A CE1 1 ATOM 2306 C CE2 . TYR A 1 163 ? -2.209 -5.964 -9.803 1.00 15.01 ? 163 TYR A CE2 1 ATOM 2307 C CZ . TYR A 1 163 ? -3.089 -5.037 -9.297 1.00 15.23 ? 163 TYR A CZ 1 ATOM 2308 O OH . TYR A 1 163 ? -4.284 -4.831 -9.938 1.00 17.50 ? 163 TYR A OH 1 ATOM 2309 H H . TYR A 1 163 ? 2.345 -7.034 -6.081 1.00 13.69 ? 163 TYR A H 1 ATOM 2310 H HA . TYR A 1 163 ? 0.160 -5.645 -5.339 1.00 13.75 ? 163 TYR A HA 1 ATOM 2311 H HB2 . TYR A 1 163 ? 1.108 -4.871 -7.273 1.00 14.56 ? 163 TYR A HB2 1 ATOM 2312 H HB3 . TYR A 1 163 ? 1.158 -6.332 -7.892 1.00 14.56 ? 163 TYR A HB3 1 ATOM 2313 H HD1 . TYR A 1 163 ? -1.372 -4.066 -6.770 1.00 15.83 ? 163 TYR A HD1 1 ATOM 2314 H HD2 . TYR A 1 163 ? -0.419 -6.803 -9.509 1.00 16.53 ? 163 TYR A HD2 1 ATOM 2315 H HE1 . TYR A 1 163 ? -3.384 -3.701 -7.832 1.00 17.61 ? 163 TYR A HE1 1 ATOM 2316 H HE2 . TYR A 1 163 ? -2.422 -6.443 -10.571 1.00 18.01 ? 163 TYR A HE2 1 ATOM 2317 H HH . TYR A 1 163 ? -4.729 -4.243 -9.535 1.00 21.00 ? 163 TYR A HH 1 ATOM 2318 N N . HIS A 1 164 ? -1.419 -7.480 -5.083 1.00 11.48 ? 164 HIS A N 1 ATOM 2319 C CA . HIS A 1 164 ? -2.399 -8.564 -5.002 1.00 13.05 ? 164 HIS A CA 1 ATOM 2320 C C . HIS A 1 164 ? -1.691 -9.912 -4.831 1.00 12.91 ? 164 HIS A C 1 ATOM 2321 O O . HIS A 1 164 ? -2.133 -10.926 -5.369 1.00 15.18 ? 164 HIS A O 1 ATOM 2322 C CB . HIS A 1 164 ? -3.312 -8.589 -6.242 1.00 15.60 ? 164 HIS A CB 1 ATOM 2323 C CG . HIS A 1 164 ? -4.209 -7.400 -6.361 1.00 17.05 ? 164 HIS A CG 1 ATOM 2324 N ND1 . HIS A 1 164 ? -5.029 -7.199 -7.454 1.00 19.73 ? 164 HIS A ND1 1 ATOM 2325 C CD2 . HIS A 1 164 ? -4.443 -6.368 -5.519 1.00 19.13 ? 164 HIS A CD2 1 ATOM 2326 C CE1 . HIS A 1 164 ? -5.712 -6.082 -7.287 1.00 20.87 ? 164 HIS A CE1 1 ATOM 2327 N NE2 . HIS A 1 164 ? -5.375 -5.553 -6.125 1.00 20.30 ? 164 HIS A NE2 1 ATOM 2328 H H . HIS A 1 164 ? -1.549 -6.845 -4.519 1.00 13.78 ? 164 HIS A H 1 ATOM 2329 H HA . HIS A 1 164 ? -2.959 -8.421 -4.223 1.00 15.66 ? 164 HIS A HA 1 ATOM 2330 H HB2 . HIS A 1 164 ? -2.757 -8.622 -7.037 1.00 18.72 ? 164 HIS A HB2 1 ATOM 2331 H HB3 . HIS A 1 164 ? -3.872 -9.380 -6.201 1.00 18.72 ? 164 HIS A HB3 1 ATOM 2332 H HD2 . HIS A 1 164 ? -4.037 -6.225 -4.695 1.00 22.95 ? 164 HIS A HD2 1 ATOM 2333 H HE1 . HIS A 1 164 ? -6.327 -5.727 -7.887 1.00 25.05 ? 164 HIS A HE1 1 ATOM 2334 N N . ALA A 1 165 ? -0.600 -9.914 -4.075 1.00 11.68 ? 165 ALA A N 1 ATOM 2335 C CA . ALA A 1 165 ? 0.222 -11.101 -3.897 1.00 12.00 ? 165 ALA A CA 1 ATOM 2336 C C . ALA A 1 165 ? 1.123 -10.888 -2.690 1.00 10.68 ? 165 ALA A C 1 ATOM 2337 O O . ALA A 1 165 ? 1.383 -9.750 -2.290 1.00 10.73 ? 165 ALA A O 1 ATOM 2338 C CB . ALA A 1 165 ? 1.067 -11.353 -5.131 1.00 13.58 ? 165 ALA A CB 1 ATOM 2339 H H . ALA A 1 165 ? -0.310 -9.226 -3.647 1.00 14.02 ? 165 ALA A H 1 ATOM 2340 H HA . ALA A 1 165 ? -0.342 -11.874 -3.737 1.00 14.40 ? 165 ALA A HA 1 ATOM 2341 H HB1 . ALA A 1 165 ? 1.605 -12.147 -4.989 1.00 16.30 ? 165 ALA A HB1 1 ATOM 2342 H HB2 . ALA A 1 165 ? 0.482 -11.481 -5.894 1.00 16.30 ? 165 ALA A HB2 1 ATOM 2343 H HB3 . ALA A 1 165 ? 1.643 -10.586 -5.280 1.00 16.30 ? 165 ALA A HB3 1 ATOM 2344 N N . PRO A 1 166 ? 1.618 -11.982 -2.097 1.00 10.21 ? 166 PRO A N 1 ATOM 2345 C CA . PRO A 1 166 ? 2.613 -11.838 -1.029 1.00 10.05 ? 166 PRO A CA 1 ATOM 2346 C C . PRO A 1 166 ? 3.936 -11.259 -1.516 1.00 10.52 ? 166 PRO A C 1 ATOM 2347 O O . PRO A 1 166 ? 4.256 -11.281 -2.707 1.00 11.65 ? 166 PRO A O 1 ATOM 2348 C CB . PRO A 1 166 ? 2.817 -13.270 -0.533 1.00 10.83 ? 166 PRO A CB 1 ATOM 2349 C CG . PRO A 1 166 ? 1.590 -14.010 -1.006 1.00 11.99 ? 166 PRO A CG 1 ATOM 2350 C CD . PRO A 1 166 ? 1.242 -13.384 -2.311 1.00 10.74 ? 166 PRO A CD 1 ATOM 2351 H HA . PRO A 1 166 ? 2.264 -11.290 -0.309 1.00 12.06 ? 166 PRO A HA 1 ATOM 2352 H HB2 . PRO A 1 166 ? 3.620 -13.644 -0.928 1.00 13.00 ? 166 PRO A HB2 1 ATOM 2353 H HB3 . PRO A 1 166 ? 2.872 -13.277 0.436 1.00 13.00 ? 166 PRO A HB3 1 ATOM 2354 H HG2 . PRO A 1 166 ? 1.800 -14.950 -1.121 1.00 14.39 ? 166 PRO A HG2 1 ATOM 2355 H HG3 . PRO A 1 166 ? 0.871 -13.893 -0.366 1.00 14.39 ? 166 PRO A HG3 1 ATOM 2356 H HD2 . PRO A 1 166 ? 1.769 -13.772 -3.027 1.00 12.89 ? 166 PRO A HD2 1 ATOM 2357 H HD3 . PRO A 1 166 ? 0.291 -13.460 -2.483 1.00 12.89 ? 166 PRO A HD3 1 ATOM 2358 N N . GLY A 1 167 ? 4.683 -10.728 -0.558 1.00 9.73 ? 167 GLY A N 1 ATOM 2359 C CA . GLY A 1 167 ? 5.996 -10.170 -0.801 1.00 8.46 ? 167 GLY A CA 1 ATOM 2360 C C . GLY A 1 167 ? 6.891 -10.516 0.366 1.00 7.60 ? 167 GLY A C 1 ATOM 2361 O O . GLY A 1 167 ? 6.617 -11.473 1.106 1.00 8.04 ? 167 GLY A O 1 ATOM 2362 H H . GLY A 1 167 ? 4.438 -10.680 0.265 1.00 11.67 ? 167 GLY A H 1 ATOM 2363 H HA2 . GLY A 1 167 ? 6.373 -10.541 -1.614 1.00 10.15 ? 167 GLY A HA2 1 ATOM 2364 H HA3 . GLY A 1 167 ? 5.940 -9.205 -0.885 1.00 10.15 ? 167 GLY A HA3 1 ATOM 2365 N N . THR A 1 168 ? 7.948 -9.735 0.562 1.00 7.61 ? 168 THR A N 1 ATOM 2366 C CA . THR A 1 168 ? 9.004 -10.101 1.499 1.00 7.78 ? 168 THR A CA 1 ATOM 2367 C C . THR A 1 168 ? 9.588 -8.896 2.209 1.00 7.35 ? 168 THR A C 1 ATOM 2368 O O . THR A 1 168 ? 9.861 -7.876 1.582 1.00 7.83 ? 168 THR A O 1 ATOM 2369 C CB . THR A 1 168 ? 10.163 -10.787 0.752 1.00 9.23 ? 168 THR A CB 1 ATOM 2370 O OG1 . THR A 1 168 ? 9.661 -11.895 0.003 1.00 9.82 ? 168 THR A OG1 1 ATOM 2371 C CG2 . THR A 1 168 ? 11.242 -11.262 1.710 1.00 10.23 ? 168 THR A CG2 1 ATOM 2372 H H . THR A 1 168 ? 8.078 -8.985 0.162 1.00 9.13 ? 168 THR A H 1 ATOM 2373 H HA . THR A 1 168 ? 8.654 -10.715 2.163 1.00 9.33 ? 168 THR A HA 1 ATOM 2374 H HB . THR A 1 168 ? 10.565 -10.150 0.141 1.00 11.08 ? 168 THR A HB 1 ATOM 2375 H HG1 . THR A 1 168 ? 9.299 -12.450 0.519 1.00 11.78 ? 168 THR A HG1 1 ATOM 2376 H HG21 . THR A 1 168 ? 10.869 -11.899 2.339 1.00 12.27 ? 168 THR A HG21 1 ATOM 2377 H HG22 . THR A 1 168 ? 11.959 -11.690 1.216 1.00 12.27 ? 168 THR A HG22 1 ATOM 2378 H HG23 . THR A 1 168 ? 11.604 -10.508 2.201 1.00 12.27 ? 168 THR A HG23 1 ATOM 2379 N N . TYR A 1 169 ? 9.819 -9.046 3.513 1.00 7.42 ? 169 TYR A N 1 ATOM 2380 C CA . TYR A 1 169 ? 10.692 -8.164 4.288 1.00 7.09 ? 169 TYR A CA 1 ATOM 2381 C C . TYR A 1 169 ? 11.961 -8.926 4.639 1.00 7.38 ? 169 TYR A C 1 ATOM 2382 O O . TYR A 1 169 ? 11.891 -9.987 5.276 1.00 8.28 ? 169 TYR A O 1 ATOM 2383 C CB . TYR A 1 169 ? 10.030 -7.692 5.594 1.00 8.27 ? 169 TYR A CB 1 ATOM 2384 C CG . TYR A 1 169 ? 9.023 -6.582 5.423 1.00 8.02 ? 169 TYR A CG 1 ATOM 2385 C CD1 . TYR A 1 169 ? 9.434 -5.273 5.240 1.00 8.95 ? 169 TYR A CD1 1 ATOM 2386 C CD2 . TYR A 1 169 ? 7.655 -6.839 5.457 1.00 7.70 ? 169 TYR A CD2 1 ATOM 2387 C CE1 . TYR A 1 169 ? 8.521 -4.258 5.082 1.00 9.27 ? 169 TYR A CE1 1 ATOM 2388 C CE2 . TYR A 1 169 ? 6.729 -5.829 5.286 1.00 8.12 ? 169 TYR A CE2 1 ATOM 2389 C CZ . TYR A 1 169 ? 7.171 -4.542 5.095 1.00 8.40 ? 169 TYR A CZ 1 ATOM 2390 O OH . TYR A 1 169 ? 6.274 -3.515 4.930 1.00 9.77 ? 169 TYR A OH 1 ATOM 2391 H H . TYR A 1 169 ? 9.469 -9.674 3.986 1.00 8.91 ? 169 TYR A H 1 ATOM 2392 H HA . TYR A 1 169 ? 10.929 -7.387 3.758 1.00 8.51 ? 169 TYR A HA 1 ATOM 2393 H HB2 . TYR A 1 169 ? 9.572 -8.445 5.998 1.00 9.92 ? 169 TYR A HB2 1 ATOM 2394 H HB3 . TYR A 1 169 ? 10.722 -7.371 6.193 1.00 9.92 ? 169 TYR A HB3 1 ATOM 2395 H HD1 . TYR A 1 169 ? 10.343 -5.078 5.218 1.00 10.74 ? 169 TYR A HD1 1 ATOM 2396 H HD2 . TYR A 1 169 ? 7.359 -7.713 5.574 1.00 9.24 ? 169 TYR A HD2 1 ATOM 2397 H HE1 . TYR A 1 169 ? 8.812 -3.385 4.949 1.00 11.12 ? 169 TYR A HE1 1 ATOM 2398 H HE2 . TYR A 1 169 ? 5.819 -6.016 5.303 1.00 9.75 ? 169 TYR A HE2 1 ATOM 2399 H HH . TYR A 1 169 ? 6.684 -2.788 4.834 1.00 11.72 ? 169 TYR A HH 1 ATOM 2400 N N . ASN A 1 170 ? 13.105 -8.394 4.224 1.00 7.74 ? 170 ASN A N 1 ATOM 2401 C CA . ASN A 1 170 ? 14.411 -8.958 4.590 1.00 7.68 ? 170 ASN A CA 1 ATOM 2402 C C . ASN A 1 170 ? 15.154 -8.015 5.514 1.00 8.28 ? 170 ASN A C 1 ATOM 2403 O O . ASN A 1 170 ? 15.061 -6.806 5.370 1.00 8.94 ? 170 ASN A O 1 ATOM 2404 C CB . ASN A 1 170 ? 15.271 -9.221 3.361 1.00 7.76 ? 170 ASN A CB 1 ATOM 2405 C CG . ASN A 1 170 ? 14.736 -10.342 2.517 1.00 8.99 ? 170 ASN A CG 1 ATOM 2406 O OD1 . ASN A 1 170 ? 14.121 -11.268 3.035 1.00 9.41 ? 170 ASN A OD1 1 ATOM 2407 N ND2 . ASN A 1 170 ? 14.978 -10.277 1.222 1.00 8.70 ? 170 ASN A ND2 1 ATOM 2408 H H . ASN A 1 170 ? 13.158 -7.698 3.722 1.00 9.29 ? 170 ASN A H 1 ATOM 2409 H HA . ASN A 1 170 ? 14.278 -9.799 5.055 1.00 9.21 ? 170 ASN A HA 1 ATOM 2410 H HB2 . ASN A 1 170 ? 15.297 -8.419 2.815 1.00 9.32 ? 170 ASN A HB2 1 ATOM 2411 H HB3 . ASN A 1 170 ? 16.167 -9.459 3.646 1.00 9.32 ? 170 ASN A HB3 1 ATOM 2412 H HD21 . ASN A 1 170 ? 14.691 -10.897 0.700 1.00 10.44 ? 170 ASN A HD21 1 ATOM 2413 H HD22 . ASN A 1 170 ? 15.422 -9.614 0.901 1.00 10.44 ? 170 ASN A HD22 1 ATOM 2414 N N . PHE A 1 171 ? 15.894 -8.586 6.456 1.00 8.52 ? 171 PHE A N 1 ATOM 2415 C CA . PHE A 1 171 ? 16.727 -7.844 7.391 1.00 8.85 ? 171 PHE A CA 1 ATOM 2416 C C . PHE A 1 171 ? 18.164 -8.309 7.262 1.00 9.11 ? 171 PHE A C 1 ATOM 2417 O O . PHE A 1 171 ? 18.449 -9.501 7.352 1.00 9.38 ? 171 PHE A O 1 ATOM 2418 C CB . PHE A 1 171 ? 16.251 -8.047 8.828 1.00 9.21 ? 171 PHE A CB 1 ATOM 2419 C CG . PHE A 1 171 ? 14.903 -7.450 9.093 1.00 9.75 ? 171 PHE A CG 1 ATOM 2420 C CD1 . PHE A 1 171 ? 13.752 -8.137 8.740 1.00 10.78 ? 171 PHE A CD1 1 ATOM 2421 C CD2 . PHE A 1 171 ? 14.776 -6.189 9.652 1.00 10.92 ? 171 PHE A CD2 1 ATOM 2422 C CE1 . PHE A 1 171 ? 12.505 -7.592 8.955 1.00 11.34 ? 171 PHE A CE1 1 ATOM 2423 C CE2 . PHE A 1 171 ? 13.523 -5.638 9.867 1.00 11.79 ? 171 PHE A CE2 1 ATOM 2424 C CZ . PHE A 1 171 ? 12.394 -6.344 9.523 1.00 11.57 ? 171 PHE A CZ 1 ATOM 2425 H H . PHE A 1 171 ? 15.931 -9.437 6.576 1.00 10.22 ? 171 PHE A H 1 ATOM 2426 H HA . PHE A 1 171 ? 16.688 -6.897 7.183 1.00 10.62 ? 171 PHE A HA 1 ATOM 2427 H HB2 . PHE A 1 171 ? 16.197 -8.999 9.010 1.00 11.05 ? 171 PHE A HB2 1 ATOM 2428 H HB3 . PHE A 1 171 ? 16.886 -7.631 9.432 1.00 11.05 ? 171 PHE A HB3 1 ATOM 2429 H HD1 . PHE A 1 171 ? 13.823 -8.982 8.357 1.00 12.93 ? 171 PHE A HD1 1 ATOM 2430 H HD2 . PHE A 1 171 ? 15.538 -5.710 9.886 1.00 13.10 ? 171 PHE A HD2 1 ATOM 2431 H HE1 . PHE A 1 171 ? 11.741 -8.069 8.722 1.00 13.61 ? 171 PHE A HE1 1 ATOM 2432 H HE2 . PHE A 1 171 ? 13.445 -4.795 10.252 1.00 14.15 ? 171 PHE A HE2 1 ATOM 2433 H HZ . PHE A 1 171 ? 11.553 -5.975 9.671 1.00 13.88 ? 171 PHE A HZ 1 ATOM 2434 N N . GLY A 1 172 ? 19.063 -7.358 7.039 1.00 8.74 ? 172 GLY A N 1 ATOM 2435 C CA . GLY A 1 172 ? 20.488 -7.629 7.104 1.00 9.44 ? 172 GLY A CA 1 ATOM 2436 C C . GLY A 1 172 ? 21.163 -7.947 5.797 1.00 9.56 ? 172 GLY A C 1 ATOM 2437 O O . GLY A 1 172 ? 22.376 -8.136 5.791 1.00 10.40 ? 172 GLY A O 1 ATOM 2438 H H . GLY A 1 172 ? 18.869 -6.543 6.846 1.00 10.48 ? 172 GLY A H 1 ATOM 2439 H HA2 . GLY A 1 172 ? 20.934 -6.856 7.485 1.00 11.32 ? 172 GLY A HA2 1 ATOM 2440 H HA3 . GLY A 1 172 ? 20.634 -8.380 7.701 1.00 11.32 ? 172 GLY A HA3 1 ATOM 2441 N N . PHE A 1 173 ? 20.407 -8.007 4.702 1.00 9.71 ? 173 PHE A N 1 ATOM 2442 C CA . PHE A 1 173 ? 20.986 -8.323 3.400 1.00 10.37 ? 173 PHE A CA 1 ATOM 2443 C C . PHE A 1 173 ? 20.077 -7.814 2.301 1.00 9.84 ? 173 PHE A C 1 ATOM 2444 O O . PHE A 1 173 ? 18.884 -7.632 2.503 1.00 9.91 ? 173 PHE A O 1 ATOM 2445 C CB . PHE A 1 173 ? 21.222 -9.833 3.223 1.00 10.83 ? 173 PHE A CB 1 ATOM 2446 C CG . PHE A 1 173 ? 19.967 -10.639 3.035 1.00 10.45 ? 173 PHE A CG 1 ATOM 2447 C CD1 . PHE A 1 173 ? 19.154 -10.931 4.106 1.00 10.21 ? 173 PHE A CD1 1 ATOM 2448 C CD2 . PHE A 1 173 ? 19.619 -11.121 1.786 1.00 11.02 ? 173 PHE A CD2 1 ATOM 2449 C CE1 . PHE A 1 173 ? 17.994 -11.671 3.938 1.00 10.76 ? 173 PHE A CE1 1 ATOM 2450 C CE2 . PHE A 1 173 ? 18.467 -11.871 1.608 1.00 11.38 ? 173 PHE A CE2 1 ATOM 2451 C CZ . PHE A 1 173 ? 17.651 -12.139 2.684 1.00 10.40 ? 173 PHE A CZ 1 ATOM 2452 H H . PHE A 1 173 ? 19.558 -7.870 4.687 1.00 11.65 ? 173 PHE A H 1 ATOM 2453 H HA . PHE A 1 173 ? 21.841 -7.873 3.317 1.00 12.44 ? 173 PHE A HA 1 ATOM 2454 H HB2 . PHE A 1 173 ? 21.781 -9.971 2.442 1.00 12.99 ? 173 PHE A HB2 1 ATOM 2455 H HB3 . PHE A 1 173 ? 21.675 -10.172 4.012 1.00 12.99 ? 173 PHE A HB3 1 ATOM 2456 H HD1 . PHE A 1 173 ? 19.376 -10.612 4.950 1.00 12.25 ? 173 PHE A HD1 1 ATOM 2457 H HD2 . PHE A 1 173 ? 20.164 -10.936 1.055 1.00 13.22 ? 173 PHE A HD2 1 ATOM 2458 H HE1 . PHE A 1 173 ? 17.450 -11.856 4.669 1.00 12.91 ? 173 PHE A HE1 1 ATOM 2459 H HE2 . PHE A 1 173 ? 18.239 -12.183 0.762 1.00 13.65 ? 173 PHE A HE2 1 ATOM 2460 H HZ . PHE A 1 173 ? 16.878 -12.643 2.569 1.00 12.48 ? 173 PHE A HZ 1 ATOM 2461 N N . ILE A 1 174 ? 20.681 -7.601 1.140 1.00 10.46 ? 174 ILE A N 1 ATOM 2462 C CA . ILE A 1 174 ? 19.986 -7.191 -0.067 1.00 10.96 ? 174 ILE A CA 1 ATOM 2463 C C . ILE A 1 174 ? 19.959 -8.396 -1.024 1.00 11.57 ? 174 ILE A C 1 ATOM 2464 O O . ILE A 1 174 ? 21.009 -8.914 -1.419 1.00 13.81 ? 174 ILE A O 1 ATOM 2465 C CB . ILE A 1 174 ? 20.648 -5.932 -0.666 1.00 13.78 ? 174 ILE A CB 1 ATOM 2466 C CG1 . ILE A 1 174 ? 20.303 -4.708 0.231 1.00 15.27 ? 174 ILE A CG1 1 ATOM 2467 C CG2 . ILE A 1 174 ? 20.171 -5.724 -2.095 1.00 14.58 ? 174 ILE A CG2 1 ATOM 2468 C CD1 . ILE A 1 174 ? 21.194 -3.512 0.066 1.00 17.82 ? 174 ILE A CD1 1 ATOM 2469 H H . ILE A 1 174 ? 21.528 -7.693 1.025 1.00 12.56 ? 174 ILE A H 1 ATOM 2470 H HA . ILE A 1 174 ? 19.070 -6.968 0.158 1.00 13.15 ? 174 ILE A HA 1 ATOM 2471 H HB . ILE A 1 174 ? 21.610 -6.056 -0.672 1.00 16.54 ? 174 ILE A HB 1 ATOM 2472 H HG12 . ILE A 1 174 ? 19.397 -4.425 0.028 1.00 18.32 ? 174 ILE A HG12 1 ATOM 2473 H HG13 . ILE A 1 174 ? 20.355 -4.984 1.159 1.00 18.32 ? 174 ILE A HG13 1 ATOM 2474 H HG21 . ILE A 1 174 ? 19.207 -5.613 -2.092 1.00 17.49 ? 174 ILE A HG21 1 ATOM 2475 H HG22 . ILE A 1 174 ? 20.595 -4.930 -2.456 1.00 17.49 ? 174 ILE A HG22 1 ATOM 2476 H HG23 . ILE A 1 174 ? 20.413 -6.500 -2.624 1.00 17.49 ? 174 ILE A HG23 1 ATOM 2477 H HD11 . ILE A 1 174 ? 21.144 -3.206 -0.854 1.00 21.39 ? 174 ILE A HD11 1 ATOM 2478 H HD12 . ILE A 1 174 ? 20.895 -2.811 0.665 1.00 21.39 ? 174 ILE A HD12 1 ATOM 2479 H HD13 . ILE A 1 174 ? 22.105 -3.766 0.281 1.00 21.39 ? 174 ILE A HD13 1 ATOM 2480 N N . ASP A 1 175 ? 18.755 -8.868 -1.350 1.00 11.33 ? 175 ASP A N 1 ATOM 2481 C CA . ASP A 1 175 ? 18.584 -10.011 -2.252 1.00 12.05 ? 175 ASP A CA 1 ATOM 2482 C C . ASP A 1 175 ? 18.689 -9.513 -3.683 1.00 13.03 ? 175 ASP A C 1 ATOM 2483 O O . ASP A 1 175 ? 17.740 -8.937 -4.220 1.00 12.43 ? 175 ASP A O 1 ATOM 2484 C CB . ASP A 1 175 ? 17.221 -10.672 -2.012 1.00 11.88 ? 175 ASP A CB 1 ATOM 2485 C CG . ASP A 1 175 ? 16.980 -11.877 -2.905 1.00 13.69 ? 175 ASP A CG 1 ATOM 2486 O OD1 . ASP A 1 175 ? 17.828 -12.173 -3.774 1.00 15.11 ? 175 ASP A OD1 1 ATOM 2487 O OD2 . ASP A 1 175 ? 15.918 -12.519 -2.745 1.00 15.48 ? 175 ASP A OD2 1 ATOM 2488 H H . ASP A 1 175 ? 18.014 -8.540 -1.061 1.00 13.59 ? 175 ASP A H 1 ATOM 2489 H HA . ASP A 1 175 ? 19.283 -10.664 -2.093 1.00 14.45 ? 175 ASP A HA 1 ATOM 2490 H HB2 . ASP A 1 175 ? 17.173 -10.969 -1.090 1.00 14.26 ? 175 ASP A HB2 1 ATOM 2491 H HB3 . ASP A 1 175 ? 16.521 -10.024 -2.189 1.00 14.26 ? 175 ASP A HB3 1 ATOM 2492 N N . THR A 1 176 ? 19.845 -9.752 -4.297 1.00 14.05 ? 176 THR A N 1 ATOM 2493 C CA . THR A 1 176 ? 20.115 -9.223 -5.625 1.00 15.33 ? 176 THR A CA 1 ATOM 2494 C C . THR A 1 176 ? 19.296 -9.929 -6.707 1.00 15.71 ? 176 THR A C 1 ATOM 2495 O O . THR A 1 176 ? 19.322 -9.508 -7.856 1.00 16.79 ? 176 THR A O 1 ATOM 2496 C CB . THR A 1 176 ? 21.622 -9.292 -5.973 1.00 17.68 ? 176 THR A CB 1 ATOM 2497 O OG1 . THR A 1 176 ? 22.065 -10.653 -5.913 1.00 19.59 ? 176 THR A OG1 1 ATOM 2498 C CG2 . THR A 1 176 ? 22.435 -8.455 -4.986 1.00 19.01 ? 176 THR A CG2 1 ATOM 2499 H H . THR A 1 176 ? 20.487 -10.217 -3.964 1.00 16.86 ? 176 THR A H 1 ATOM 2500 H HA . THR A 1 176 ? 19.860 -8.288 -5.636 1.00 18.40 ? 176 THR A HA 1 ATOM 2501 H HB . THR A 1 176 ? 21.766 -8.942 -6.866 1.00 21.22 ? 176 THR A HB 1 ATOM 2502 H HG1 . THR A 1 176 ? 22.882 -10.698 -6.101 1.00 23.50 ? 176 THR A HG1 1 ATOM 2503 H HG21 . THR A 1 176 ? 22.148 -7.529 -5.023 1.00 22.81 ? 176 THR A HG21 1 ATOM 2504 H HG22 . THR A 1 176 ? 22.308 -8.789 -4.085 1.00 22.81 ? 176 THR A HG22 1 ATOM 2505 H HG23 . THR A 1 176 ? 23.378 -8.502 -5.210 1.00 22.81 ? 176 THR A HG23 1 ATOM 2506 N N . THR A 1 177 ? 18.578 -10.997 -6.352 1.00 15.19 ? 177 THR A N 1 ATOM 2507 C CA . THR A 1 177 ? 17.682 -11.662 -7.302 1.00 15.81 ? 177 THR A CA 1 ATOM 2508 C C . THR A 1 177 ? 16.268 -11.093 -7.281 1.00 14.94 ? 177 THR A C 1 ATOM 2509 O O . THR A 1 177 ? 15.435 -11.490 -8.099 1.00 16.18 ? 177 THR A O 1 ATOM 2510 C CB . THR A 1 177 ? 17.568 -13.185 -7.052 1.00 17.90 ? 177 THR A CB 1 ATOM 2511 O OG1 . THR A 1 177 ? 16.805 -13.439 -5.866 1.00 18.41 ? 177 THR A OG1 1 ATOM 2512 C CG2 . THR A 1 177 ? 18.946 -13.841 -6.940 1.00 19.23 ? 177 THR A CG2 1 ATOM 2513 H H . THR A 1 177 ? 18.591 -11.355 -5.570 1.00 18.23 ? 177 THR A H 1 ATOM 2514 H HA . THR A 1 177 ? 18.035 -11.537 -8.197 1.00 18.97 ? 177 THR A HA 1 ATOM 2515 H HB . THR A 1 177 ? 17.111 -13.589 -7.807 1.00 21.48 ? 177 THR A HB 1 ATOM 2516 H HG1 . THR A 1 177 ? 17.178 -13.083 -5.202 1.00 22.09 ? 177 THR A HG1 1 ATOM 2517 H HG21 . THR A 1 177 ? 19.440 -13.450 -6.202 1.00 23.08 ? 177 THR A HG21 1 ATOM 2518 H HG22 . THR A 1 177 ? 18.848 -14.793 -6.783 1.00 23.08 ? 177 THR A HG22 1 ATOM 2519 H HG23 . THR A 1 177 ? 19.445 -13.706 -7.760 1.00 23.08 ? 177 THR A HG23 1 ATOM 2520 N N . ALA A 1 178 ? 15.999 -10.148 -6.379 1.00 12.46 ? 178 ALA A N 1 ATOM 2521 C CA . ALA A 1 178 ? 14.632 -9.684 -6.152 1.00 12.15 ? 178 ALA A CA 1 ATOM 2522 C C . ALA A 1 178 ? 14.280 -8.422 -6.940 1.00 11.49 ? 178 ALA A C 1 ATOM 2523 O O . ALA A 1 178 ? 13.174 -7.900 -6.822 1.00 12.99 ? 178 ALA A O 1 ATOM 2524 C CB . ALA A 1 178 ? 14.417 -9.446 -4.669 1.00 12.20 ? 178 ALA A CB 1 ATOM 2525 H H . ALA A 1 178 ? 16.589 -9.762 -5.887 1.00 14.95 ? 178 ALA A H 1 ATOM 2526 H HA . ALA A 1 178 ? 14.019 -10.383 -6.430 1.00 14.58 ? 178 ALA A HA 1 ATOM 2527 H HB1 . ALA A 1 178 ? 14.563 -10.277 -4.191 1.00 14.64 ? 178 ALA A HB1 1 ATOM 2528 H HB2 . ALA A 1 178 ? 15.045 -8.773 -4.363 1.00 14.64 ? 178 ALA A HB2 1 ATOM 2529 H HB3 . ALA A 1 178 ? 13.508 -9.138 -4.527 1.00 14.64 ? 178 ALA A HB3 1 ATOM 2530 N N . TYR A 1 179 ? 15.211 -7.914 -7.731 1.00 11.00 ? 179 TYR A N 1 ATOM 2531 C CA . TYR A 1 179 ? 14.949 -6.699 -8.486 1.00 11.09 ? 179 TYR A CA 1 ATOM 2532 C C . TYR A 1 179 ? 15.654 -6.765 -9.820 1.00 10.86 ? 179 TYR A C 1 ATOM 2533 O O . TYR A 1 179 ? 16.524 -7.613 -10.028 1.00 12.76 ? 179 TYR A O 1 ATOM 2534 C CB . TYR A 1 179 ? 15.383 -5.449 -7.703 1.00 10.11 ? 179 TYR A CB 1 ATOM 2535 C CG . TYR A 1 179 ? 16.851 -5.417 -7.355 1.00 10.32 ? 179 TYR A CG 1 ATOM 2536 C CD1 . TYR A 1 179 ? 17.793 -4.880 -8.230 1.00 10.85 ? 179 TYR A CD1 1 ATOM 2537 C CD2 . TYR A 1 179 ? 17.296 -5.920 -6.136 1.00 11.24 ? 179 TYR A CD2 1 ATOM 2538 C CE1 . TYR A 1 179 ? 19.139 -4.862 -7.911 1.00 11.66 ? 179 TYR A CE1 1 ATOM 2539 C CE2 . TYR A 1 179 ? 18.636 -5.903 -5.807 1.00 12.40 ? 179 TYR A CE2 1 ATOM 2540 C CZ . TYR A 1 179 ? 19.552 -5.375 -6.696 1.00 12.92 ? 179 TYR A CZ 1 ATOM 2541 O OH . TYR A 1 179 ? 20.886 -5.348 -6.374 1.00 15.55 ? 179 TYR A OH 1 ATOM 2542 H H . TYR A 1 179 ? 15.995 -8.248 -7.849 1.00 13.20 ? 179 TYR A H 1 ATOM 2543 H HA . TYR A 1 179 ? 13.996 -6.631 -8.653 1.00 13.31 ? 179 TYR A HA 1 ATOM 2544 H HB2 . TYR A 1 179 ? 15.190 -4.664 -8.239 1.00 12.13 ? 179 TYR A HB2 1 ATOM 2545 H HB3 . TYR A 1 179 ? 14.882 -5.412 -6.874 1.00 12.13 ? 179 TYR A HB3 1 ATOM 2546 H HD1 . TYR A 1 179 ? 17.514 -4.541 -9.050 1.00 13.02 ? 179 TYR A HD1 1 ATOM 2547 H HD2 . TYR A 1 179 ? 16.682 -6.282 -5.539 1.00 13.49 ? 179 TYR A HD2 1 ATOM 2548 H HE1 . TYR A 1 179 ? 19.759 -4.503 -8.504 1.00 13.99 ? 179 TYR A HE1 1 ATOM 2549 H HE2 . TYR A 1 179 ? 18.921 -6.245 -4.991 1.00 14.88 ? 179 TYR A HE2 1 ATOM 2550 H HH . TYR A 1 179 ? 21.006 -5.687 -5.615 1.00 18.65 ? 179 TYR A HH 1 ATOM 2551 N N . THR A 1 180 ? 15.259 -5.871 -10.723 1.00 10.83 ? 180 THR A N 1 ATOM 2552 C CA . THR A 1 180 ? 15.868 -5.766 -12.038 1.00 11.70 ? 180 THR A CA 1 ATOM 2553 C C . THR A 1 180 ? 16.698 -4.493 -12.080 1.00 11.77 ? 180 THR A C 1 ATOM 2554 O O . THR A 1 180 ? 16.469 -3.571 -11.299 1.00 12.08 ? 180 THR A O 1 ATOM 2555 C CB . THR A 1 180 ? 14.809 -5.731 -13.154 1.00 13.39 ? 180 THR A CB 1 ATOM 2556 O OG1 . THR A 1 180 ? 13.984 -4.568 -12.996 1.00 16.20 ? 180 THR A OG1 1 ATOM 2557 C CG2 . THR A 1 180 ? 13.949 -6.981 -13.117 1.00 15.33 ? 180 THR A CG2 1 ATOM 2558 H H . THR A 1 180 ? 14.627 -5.303 -10.590 1.00 13.00 ? 180 THR A H 1 ATOM 2559 H HA . THR A 1 180 ? 16.454 -6.524 -12.189 1.00 14.05 ? 180 THR A HA 1 ATOM 2560 H HB . THR A 1 180 ? 15.253 -5.694 -14.015 1.00 16.07 ? 180 THR A HB 1 ATOM 2561 H HG1 . THR A 1 180 ? 13.598 -4.588 -12.250 1.00 19.44 ? 180 THR A HG1 1 ATOM 2562 H HG21 . THR A 1 180 ? 13.286 -6.948 -13.824 1.00 18.39 ? 180 THR A HG21 1 ATOM 2563 H HG22 . THR A 1 180 ? 14.503 -7.768 -13.240 1.00 18.39 ? 180 THR A HG22 1 ATOM 2564 H HG23 . THR A 1 180 ? 13.496 -7.046 -12.262 1.00 18.39 ? 180 THR A HG23 1 ATOM 2565 N N . GLY A 1 181 ? 17.677 -4.448 -12.974 1.00 11.53 ? 181 GLY A N 1 ATOM 2566 C CA . GLY A 1 181 ? 18.511 -3.267 -13.116 1.00 11.64 ? 181 GLY A CA 1 ATOM 2567 C C . GLY A 1 181 ? 19.315 -2.987 -11.856 1.00 10.98 ? 181 GLY A C 1 ATOM 2568 O O . GLY A 1 181 ? 19.729 -3.898 -11.148 1.00 11.31 ? 181 GLY A O 1 ATOM 2569 H H . GLY A 1 181 ? 17.877 -5.089 -13.511 1.00 13.83 ? 181 GLY A H 1 ATOM 2570 H HA2 . GLY A 1 181 ? 19.127 -3.391 -13.854 1.00 13.97 ? 181 GLY A HA2 1 ATOM 2571 H HA3 . GLY A 1 181 ? 17.953 -2.496 -13.304 1.00 13.97 ? 181 GLY A HA3 1 ATOM 2572 N N A SER A 1 182 ? 19.530 -1.708 -11.576 0.69 9.95 ? 182 SER A N 1 ATOM 2573 N N B SER A 1 182 ? 19.533 -1.703 -11.590 0.31 10.53 ? 182 SER A N 1 ATOM 2574 C CA A SER A 1 182 ? 20.321 -1.280 -10.429 0.69 10.49 ? 182 SER A CA 1 ATOM 2575 C CA B SER A 1 182 ? 20.311 -1.257 -10.440 0.31 10.64 ? 182 SER A CA 1 ATOM 2576 C C A SER A 1 182 ? 19.443 -0.566 -9.404 0.69 10.26 ? 182 SER A C 1 ATOM 2577 C C B SER A 1 182 ? 19.397 -0.660 -9.376 0.31 10.25 ? 182 SER A C 1 ATOM 2578 O O A SER A 1 182 ? 18.342 -0.084 -9.719 0.69 10.35 ? 182 SER A O 1 ATOM 2579 O O B SER A 1 182 ? 18.227 -0.358 -9.637 0.31 10.31 ? 182 SER A O 1 ATOM 2580 C CB A SER A 1 182 ? 21.441 -0.353 -10.895 0.69 13.42 ? 182 SER A CB 1 ATOM 2581 C CB B SER A 1 182 ? 21.334 -0.204 -10.876 0.31 11.86 ? 182 SER A CB 1 ATOM 2582 O OG A SER A 1 182 ? 20.917 0.725 -11.643 0.69 15.33 ? 182 SER A OG 1 ATOM 2583 O OG B SER A 1 182 ? 22.237 -0.723 -11.836 0.31 12.70 ? 182 SER A OG 1 ATOM 2584 H H A SER A 1 182 ? 19.222 -1.056 -12.045 0.69 11.94 ? 182 SER A H 1 ATOM 2585 H H B SER A 1 182 ? 19.234 -1.057 -12.073 0.31 12.64 ? 182 SER A H 1 ATOM 2586 H HA A SER A 1 182 ? 20.721 -2.055 -10.004 0.69 12.59 ? 182 SER A HA 1 ATOM 2587 H HA B SER A 1 182 ? 20.786 -2.010 -10.055 0.31 12.77 ? 182 SER A HA 1 ATOM 2588 H HB2 A SER A 1 182 ? 21.906 -0.003 -10.119 0.69 16.11 ? 182 SER A HB2 1 ATOM 2589 H HB2 B SER A 1 182 ? 20.862 0.549 -11.264 0.31 14.23 ? 182 SER A HB2 1 ATOM 2590 H HB3 A SER A 1 182 ? 22.056 -0.855 -11.452 0.69 16.11 ? 182 SER A HB3 1 ATOM 2591 H HB3 B SER A 1 182 ? 21.835 0.086 -10.098 0.31 14.23 ? 182 SER A HB3 1 ATOM 2592 H HG A SER A 1 182 ? 21.539 1.229 -11.895 0.69 18.39 ? 182 SER A HG 1 ATOM 2593 H HG B SER A 1 182 ? 21.818 -0.978 -12.517 0.31 15.24 ? 182 SER A HG 1 ATOM 2594 N N . ILE A 1 183 ? 19.942 -0.490 -8.177 1.00 10.31 ? 183 ILE A N 1 ATOM 2595 C CA . ILE A 1 183 ? 19.258 0.216 -7.110 1.00 9.67 ? 183 ILE A CA 1 ATOM 2596 C C . ILE A 1 183 ? 19.775 1.658 -7.121 1.00 9.96 ? 183 ILE A C 1 ATOM 2597 O O . ILE A 1 183 ? 20.980 1.890 -7.124 1.00 11.37 ? 183 ILE A O 1 ATOM 2598 C CB . ILE A 1 183 ? 19.523 -0.416 -5.725 1.00 9.27 ? 183 ILE A CB 1 ATOM 2599 C CG1 . ILE A 1 183 ? 19.162 -1.913 -5.715 1.00 10.39 ? 183 ILE A CG1 1 ATOM 2600 C CG2 . ILE A 1 183 ? 18.763 0.360 -4.630 1.00 9.77 ? 183 ILE A CG2 1 ATOM 2601 C CD1 . ILE A 1 183 ? 19.467 -2.613 -4.421 1.00 10.64 ? 183 ILE A CD1 1 ATOM 2602 H H A ILE A 1 183 ? 20.688 -0.845 -7.937 0.69 12.38 ? 183 ILE A H 1 ATOM 2603 H H B ILE A 1 183 ? 20.721 -0.780 -7.957 0.31 12.38 ? 183 ILE A H 1 ATOM 2604 H HA . ILE A 1 183 ? 18.303 0.223 -7.276 1.00 11.60 ? 183 ILE A HA 1 ATOM 2605 H HB . ILE A 1 183 ? 20.472 -0.338 -5.539 1.00 11.13 ? 183 ILE A HB 1 ATOM 2606 H HG12 . ILE A 1 183 ? 18.211 -2.005 -5.882 1.00 12.47 ? 183 ILE A HG12 1 ATOM 2607 H HG13 . ILE A 1 183 ? 19.662 -2.358 -6.416 1.00 12.47 ? 183 ILE A HG13 1 ATOM 2608 H HG21 . ILE A 1 183 ? 17.812 0.327 -4.822 1.00 11.72 ? 183 ILE A HG21 1 ATOM 2609 H HG22 . ILE A 1 183 ? 18.941 -0.051 -3.770 1.00 11.72 ? 183 ILE A HG22 1 ATOM 2610 H HG23 . ILE A 1 183 ? 19.068 1.281 -4.626 1.00 11.72 ? 183 ILE A HG23 1 ATOM 2611 H HD11 . ILE A 1 183 ? 19.211 -3.545 -4.499 1.00 12.77 ? 183 ILE A HD11 1 ATOM 2612 H HD12 . ILE A 1 183 ? 20.418 -2.544 -4.242 1.00 12.77 ? 183 ILE A HD12 1 ATOM 2613 H HD13 . ILE A 1 183 ? 18.964 -2.190 -3.707 1.00 12.77 ? 183 ILE A HD13 1 ATOM 2614 N N . THR A 1 184 ? 18.866 2.625 -7.131 1.00 9.21 ? 184 THR A N 1 ATOM 2615 C CA . THR A 1 184 ? 19.243 4.032 -7.029 1.00 8.79 ? 184 THR A CA 1 ATOM 2616 C C . THR A 1 184 ? 19.004 4.506 -5.615 1.00 8.51 ? 184 THR A C 1 ATOM 2617 O O . THR A 1 184 ? 17.877 4.449 -5.112 1.00 9.39 ? 184 THR A O 1 ATOM 2618 C CB . THR A 1 184 ? 18.461 4.892 -8.015 1.00 10.58 ? 184 THR A CB 1 ATOM 2619 O OG1 . THR A 1 184 ? 18.777 4.454 -9.338 1.00 13.44 ? 184 THR A OG1 1 ATOM 2620 C CG2 . THR A 1 184 ? 18.857 6.361 -7.875 1.00 10.27 ? 184 THR A CG2 1 ATOM 2621 H H . THR A 1 184 ? 18.018 2.493 -7.197 1.00 11.06 ? 184 THR A H 1 ATOM 2622 H HA . THR A 1 184 ? 20.189 4.126 -7.226 1.00 10.55 ? 184 THR A HA 1 ATOM 2623 H HB . THR A 1 184 ? 17.509 4.803 -7.853 1.00 12.69 ? 184 THR A HB 1 ATOM 2624 H HG1 . THR A 1 184 ? 18.357 4.915 -9.901 1.00 16.13 ? 184 THR A HG1 1 ATOM 2625 H HG21 . THR A 1 184 ? 19.805 6.467 -8.053 1.00 12.32 ? 184 THR A HG21 1 ATOM 2626 H HG22 . THR A 1 184 ? 18.355 6.901 -8.505 1.00 12.32 ? 184 THR A HG22 1 ATOM 2627 H HG23 . THR A 1 184 ? 18.669 6.671 -6.975 1.00 12.32 ? 184 THR A HG23 1 ATOM 2628 N N . TYR A 1 185 ? 20.071 4.976 -4.983 1.00 8.59 ? 185 TYR A N 1 ATOM 2629 C CA . TYR A 1 185 ? 20.000 5.479 -3.619 1.00 8.33 ? 185 TYR A CA 1 ATOM 2630 C C . TYR A 1 185 ? 19.827 6.992 -3.578 1.00 9.39 ? 185 TYR A C 1 ATOM 2631 O O . TYR A 1 185 ? 20.307 7.720 -4.446 1.00 10.42 ? 185 TYR A O 1 ATOM 2632 C CB . TYR A 1 185 ? 21.234 5.042 -2.831 1.00 9.02 ? 185 TYR A CB 1 ATOM 2633 C CG . TYR A 1 185 ? 21.253 3.552 -2.522 1.00 9.26 ? 185 TYR A CG 1 ATOM 2634 C CD1 . TYR A 1 185 ? 21.795 2.640 -3.419 1.00 9.13 ? 185 TYR A CD1 1 ATOM 2635 C CD2 . TYR A 1 185 ? 20.750 3.061 -1.328 1.00 9.29 ? 185 TYR A CD2 1 ATOM 2636 C CE1 . TYR A 1 185 ? 21.827 1.285 -3.145 1.00 8.87 ? 185 TYR A CE1 1 ATOM 2637 C CE2 . TYR A 1 185 ? 20.776 1.694 -1.039 1.00 10.06 ? 185 TYR A CE2 1 ATOM 2638 C CZ . TYR A 1 185 ? 21.326 0.816 -1.944 1.00 9.20 ? 185 TYR A CZ 1 ATOM 2639 O OH . TYR A 1 185 ? 21.358 -0.531 -1.640 1.00 10.38 ? 185 TYR A OH 1 ATOM 2640 H H . TYR A 1 185 ? 20.857 5.016 -5.328 1.00 10.31 ? 185 TYR A H 1 ATOM 2641 H HA . TYR A 1 185 ? 19.226 5.087 -3.187 1.00 10.00 ? 185 TYR A HA 1 ATOM 2642 H HB2 . TYR A 1 185 ? 22.028 5.249 -3.349 1.00 10.83 ? 185 TYR A HB2 1 ATOM 2643 H HB3 . TYR A 1 185 ? 21.256 5.522 -1.988 1.00 10.83 ? 185 TYR A HB3 1 ATOM 2644 H HD1 . TYR A 1 185 ? 22.142 2.948 -4.225 1.00 10.95 ? 185 TYR A HD1 1 ATOM 2645 H HD2 . TYR A 1 185 ? 20.385 3.651 -0.709 1.00 11.15 ? 185 TYR A HD2 1 ATOM 2646 H HE1 . TYR A 1 185 ? 22.199 0.693 -3.758 1.00 10.64 ? 185 TYR A HE1 1 ATOM 2647 H HE2 . TYR A 1 185 ? 20.439 1.381 -0.230 1.00 12.07 ? 185 TYR A HE2 1 ATOM 2648 H HH . TYR A 1 185 ? 21.021 -0.663 -0.882 1.00 12.46 ? 185 TYR A HH 1 ATOM 2649 N N . THR A 1 186 ? 19.117 7.446 -2.558 1.00 8.80 ? 186 THR A N 1 ATOM 2650 C CA . THR A 1 186 ? 18.764 8.844 -2.421 1.00 8.34 ? 186 THR A CA 1 ATOM 2651 C C . THR A 1 186 ? 18.819 9.235 -0.945 1.00 8.35 ? 186 THR A C 1 ATOM 2652 O O . THR A 1 186 ? 18.626 8.397 -0.055 1.00 8.95 ? 186 THR A O 1 ATOM 2653 C CB . THR A 1 186 ? 17.379 9.081 -3.066 1.00 9.44 ? 186 THR A CB 1 ATOM 2654 O OG1 . THR A 1 186 ? 17.153 10.474 -3.282 1.00 10.57 ? 186 THR A OG1 1 ATOM 2655 C CG2 . THR A 1 186 ? 16.228 8.489 -2.236 1.00 9.60 ? 186 THR A CG2 1 ATOM 2656 H H . THR A 1 186 ? 18.822 6.950 -1.920 1.00 10.55 ? 186 THR A H 1 ATOM 2657 H HA . THR A 1 186 ? 19.413 9.383 -2.899 1.00 10.01 ? 186 THR A HA 1 ATOM 2658 H HB . THR A 1 186 ? 17.368 8.636 -3.928 1.00 11.33 ? 186 THR A HB 1 ATOM 2659 H HG1 . THR A 1 186 ? 16.398 10.592 -3.633 1.00 12.69 ? 186 THR A HG1 1 ATOM 2660 H HG21 . THR A 1 186 ? 16.347 7.531 -2.141 1.00 11.53 ? 186 THR A HG21 1 ATOM 2661 H HG22 . THR A 1 186 ? 16.213 8.893 -1.354 1.00 11.53 ? 186 THR A HG22 1 ATOM 2662 H HG23 . THR A 1 186 ? 15.381 8.660 -2.675 1.00 11.53 ? 186 THR A HG23 1 ATOM 2663 N N . ALA A 1 187 ? 19.119 10.501 -0.686 1.00 9.40 ? 187 ALA A N 1 ATOM 2664 C CA . ALA A 1 187 ? 19.326 10.974 0.673 1.00 9.99 ? 187 ALA A CA 1 ATOM 2665 C C . ALA A 1 187 ? 18.055 10.949 1.521 1.00 10.01 ? 187 ALA A C 1 ATOM 2666 O O . ALA A 1 187 ? 16.937 11.127 1.033 1.00 10.31 ? 187 ALA A O 1 ATOM 2667 C CB . ALA A 1 187 ? 19.906 12.387 0.653 1.00 11.85 ? 187 ALA A CB 1 ATOM 2668 H H . ALA A 1 187 ? 19.208 11.110 -1.286 1.00 11.28 ? 187 ALA A H 1 ATOM 2669 H HA . ALA A 1 187 ? 19.976 10.397 1.104 1.00 11.99 ? 187 ALA A HA 1 ATOM 2670 H HB1 . ALA A 1 187 ? 19.284 12.976 0.197 1.00 14.22 ? 187 ALA A HB1 1 ATOM 2671 H HB2 . ALA A 1 187 ? 20.037 12.687 1.566 1.00 14.22 ? 187 ALA A HB2 1 ATOM 2672 H HB3 . ALA A 1 187 ? 20.754 12.373 0.183 1.00 14.22 ? 187 ALA A HB3 1 ATOM 2673 N N . VAL A 1 188 ? 18.255 10.734 2.812 1.00 10.10 ? 188 VAL A N 1 ATOM 2674 C CA . VAL A 1 188 ? 17.178 10.715 3.794 1.00 10.05 ? 188 VAL A CA 1 ATOM 2675 C C . VAL A 1 188 ? 17.409 11.781 4.845 1.00 10.66 ? 188 VAL A C 1 ATOM 2676 O O . VAL A 1 188 ? 18.537 11.993 5.287 1.00 11.97 ? 188 VAL A O 1 ATOM 2677 C CB . VAL A 1 188 ? 17.095 9.328 4.469 1.00 10.23 ? 188 VAL A CB 1 ATOM 2678 C CG1 . VAL A 1 188 ? 16.246 9.335 5.777 1.00 10.38 ? 188 VAL A CG1 1 ATOM 2679 C CG2 . VAL A 1 188 ? 16.546 8.314 3.466 1.00 11.10 ? 188 VAL A CG2 1 ATOM 2680 H H . VAL A 1 188 ? 19.030 10.593 3.156 1.00 12.12 ? 188 VAL A H 1 ATOM 2681 H HA . VAL A 1 188 ? 16.333 10.894 3.353 1.00 12.07 ? 188 VAL A HA 1 ATOM 2682 H HB . VAL A 1 188 ? 17.993 9.047 4.706 1.00 12.28 ? 188 VAL A HB 1 ATOM 2683 H HG11 . VAL A 1 188 ? 15.915 10.233 5.932 1.00 12.45 ? 188 VAL A HG11 1 ATOM 2684 H HG12 . VAL A 1 188 ? 15.502 8.721 5.673 1.00 12.45 ? 188 VAL A HG12 1 ATOM 2685 H HG13 . VAL A 1 188 ? 16.806 9.055 6.518 1.00 12.45 ? 188 VAL A HG13 1 ATOM 2686 H HG21 . VAL A 1 188 ? 16.370 8.765 2.626 1.00 13.32 ? 188 VAL A HG21 1 ATOM 2687 H HG22 . VAL A 1 188 ? 17.203 7.613 3.334 1.00 13.32 ? 188 VAL A HG22 1 ATOM 2688 H HG23 . VAL A 1 188 ? 15.725 7.936 3.818 1.00 13.32 ? 188 VAL A HG23 1 ATOM 2689 N N . SER A 1 189 ? 16.338 12.462 5.225 1.00 10.81 ? 189 SER A N 1 ATOM 2690 C CA . SER A 1 189 ? 16.348 13.305 6.410 1.00 10.79 ? 189 SER A CA 1 ATOM 2691 C C . SER A 1 189 ? 15.621 12.574 7.526 1.00 11.13 ? 189 SER A C 1 ATOM 2692 O O . SER A 1 189 ? 14.498 12.120 7.340 1.00 11.80 ? 189 SER A O 1 ATOM 2693 C CB . SER A 1 189 ? 15.626 14.627 6.158 1.00 12.83 ? 189 SER A CB 1 ATOM 2694 O OG . SER A 1 189 ? 15.466 15.335 7.382 1.00 15.54 ? 189 SER A OG 1 ATOM 2695 H H . SER A 1 189 ? 15.586 12.453 4.809 1.00 12.97 ? 189 SER A H 1 ATOM 2696 H HA . SER A 1 189 ? 17.260 13.486 6.687 1.00 12.94 ? 189 SER A HA 1 ATOM 2697 H HB2 . SER A 1 189 ? 16.152 15.165 5.545 1.00 15.40 ? 189 SER A HB2 1 ATOM 2698 H HB3 . SER A 1 189 ? 14.752 14.446 5.778 1.00 15.40 ? 189 SER A HB3 1 ATOM 2699 H HG . SER A 1 189 ? 16.217 15.495 7.722 1.00 18.64 ? 189 SER A HG 1 ATOM 2700 N N . THR A 1 190 ? 16.247 12.506 8.697 1.00 12.77 ? 190 THR A N 1 ATOM 2701 C CA . THR A 1 190 ? 15.632 11.885 9.857 1.00 14.54 ? 190 THR A CA 1 ATOM 2702 C C . THR A 1 190 ? 15.069 12.926 10.824 1.00 14.80 ? 190 THR A C 1 ATOM 2703 O O . THR A 1 190 ? 14.674 12.597 11.941 1.00 15.25 ? 190 THR A O 1 ATOM 2704 C CB . THR A 1 190 ? 16.651 11.025 10.622 1.00 16.18 ? 190 THR A CB 1 ATOM 2705 O OG1 . THR A 1 190 ? 17.707 11.856 11.118 1.00 18.07 ? 190 THR A OG1 1 ATOM 2706 C CG2 . THR A 1 190 ? 17.240 9.937 9.729 1.00 17.34 ? 190 THR A CG2 1 ATOM 2707 H H . THR A 1 190 ? 17.036 12.816 8.843 1.00 15.32 ? 190 THR A H 1 ATOM 2708 H HA . THR A 1 190 ? 14.905 11.312 9.567 1.00 17.45 ? 190 THR A HA 1 ATOM 2709 H HB . THR A 1 190 ? 16.207 10.595 11.370 1.00 19.41 ? 190 THR A HB 1 ATOM 2710 H HG1 . THR A 1 190 ? 18.095 12.239 10.479 1.00 21.69 ? 190 THR A HG1 1 ATOM 2711 H HG21 . THR A 1 190 ? 17.690 10.339 8.970 1.00 20.81 ? 190 THR A HG21 1 ATOM 2712 H HG22 . THR A 1 190 ? 17.880 9.407 10.230 1.00 20.81 ? 190 THR A HG22 1 ATOM 2713 H HG23 . THR A 1 190 ? 16.534 9.356 9.406 1.00 20.81 ? 190 THR A HG23 1 ATOM 2714 N N . LYS A 1 191 ? 15.028 14.182 10.393 1.00 15.29 ? 191 LYS A N 1 ATOM 2715 C CA . LYS A 1 191 ? 14.651 15.277 11.281 1.00 16.60 ? 191 LYS A CA 1 ATOM 2716 C C . LYS A 1 191 ? 13.241 15.157 11.853 1.00 16.42 ? 191 LYS A C 1 ATOM 2717 O O . LYS A 1 191 ? 12.974 15.673 12.934 1.00 18.97 ? 191 LYS A O 1 ATOM 2718 C CB . LYS A 1 191 ? 14.801 16.619 10.558 1.00 18.76 ? 191 LYS A CB 1 ATOM 2719 H H . LYS A 1 191 ? 15.214 14.428 9.590 1.00 18.34 ? 191 LYS A H 1 ATOM 2720 H HA . LYS A 1 191 ? 15.266 15.283 12.031 1.00 19.92 ? 191 LYS A HA 1 ATOM 2721 N N . GLN A 1 192 ? 12.333 14.518 11.123 1.00 14.62 ? 192 GLN A N 1 ATOM 2722 C CA . GLN A 1 192 ? 10.970 14.285 11.614 1.00 15.21 ? 192 GLN A CA 1 ATOM 2723 C C . GLN A 1 192 ? 10.762 12.836 12.069 1.00 13.89 ? 192 GLN A C 1 ATOM 2724 O O . GLN A 1 192 ? 9.633 12.435 12.384 1.00 14.71 ? 192 GLN A O 1 ATOM 2725 C CB . GLN A 1 192 ? 9.937 14.649 10.543 1.00 17.79 ? 192 GLN A CB 1 ATOM 2726 C CG . GLN A 1 192 ? 9.890 16.121 10.167 1.00 22.29 ? 192 GLN A CG 1 ATOM 2727 C CD . GLN A 1 192 ? 8.742 16.420 9.223 1.00 27.76 ? 192 GLN A CD 1 ATOM 2728 O OE1 . GLN A 1 192 ? 8.905 16.411 8.002 1.00 30.12 ? 192 GLN A OE1 1 ATOM 2729 N NE2 . GLN A 1 192 ? 7.567 16.669 9.785 1.00 30.50 ? 192 GLN A NE2 1 ATOM 2730 H H . GLN A 1 192 ? 12.478 14.207 10.334 1.00 17.55 ? 192 GLN A H 1 ATOM 2731 H HA . GLN A 1 192 ? 10.815 14.859 12.381 1.00 18.25 ? 192 GLN A HA 1 ATOM 2732 H HB2 . GLN A 1 192 ? 10.138 14.147 9.738 1.00 21.35 ? 192 GLN A HB2 1 ATOM 2733 H HB3 . GLN A 1 192 ? 9.057 14.402 10.868 1.00 21.35 ? 192 GLN A HB3 1 ATOM 2734 H HG2 . GLN A 1 192 ? 9.770 16.652 10.970 1.00 26.75 ? 192 GLN A HG2 1 ATOM 2735 H HG3 . GLN A 1 192 ? 10.719 16.364 9.725 1.00 26.75 ? 192 GLN A HG3 1 ATOM 2736 H HE21 . GLN A 1 192 ? 6.883 16.844 9.294 1.00 36.60 ? 192 GLN A HE21 1 ATOM 2737 H HE22 . GLN A 1 192 ? 7.488 16.655 10.642 1.00 36.60 ? 192 GLN A HE22 1 ATOM 2738 N N . GLY A 1 193 ? 11.843 12.059 12.110 1.00 12.46 ? 193 GLY A N 1 ATOM 2739 C CA . GLY A 1 193 ? 11.769 10.671 12.545 1.00 11.18 ? 193 GLY A CA 1 ATOM 2740 C C . GLY A 1 193 ? 11.340 9.669 11.491 1.00 10.13 ? 193 GLY A C 1 ATOM 2741 O O . GLY A 1 193 ? 11.222 8.483 11.791 1.00 10.38 ? 193 GLY A O 1 ATOM 2742 H H . GLY A 1 193 ? 12.634 12.315 11.890 1.00 14.95 ? 193 GLY A H 1 ATOM 2743 H HA2 . GLY A 1 193 ? 12.641 10.400 12.872 1.00 13.41 ? 193 GLY A HA2 1 ATOM 2744 H HA3 . GLY A 1 193 ? 11.143 10.610 13.284 1.00 13.41 ? 193 GLY A HA3 1 ATOM 2745 N N . PHE A 1 194 ? 11.119 10.149 10.268 1.00 9.63 ? 194 PHE A N 1 ATOM 2746 C CA . PHE A 1 194 ? 10.651 9.316 9.176 1.00 9.46 ? 194 PHE A CA 1 ATOM 2747 C C . PHE A 1 194 ? 11.764 9.006 8.183 1.00 9.14 ? 194 PHE A C 1 ATOM 2748 O O . PHE A 1 194 ? 12.816 9.651 8.182 1.00 9.57 ? 194 PHE A O 1 ATOM 2749 C CB . PHE A 1 194 ? 9.550 10.031 8.398 1.00 9.68 ? 194 PHE A CB 1 ATOM 2750 C CG . PHE A 1 194 ? 8.335 10.367 9.206 1.00 10.71 ? 194 PHE A CG 1 ATOM 2751 C CD1 . PHE A 1 194 ? 7.574 9.371 9.806 1.00 11.04 ? 194 PHE A CD1 1 ATOM 2752 C CD2 . PHE A 1 194 ? 7.915 11.685 9.318 1.00 12.89 ? 194 PHE A CD2 1 ATOM 2753 C CE1 . PHE A 1 194 ? 6.432 9.689 10.532 1.00 12.69 ? 194 PHE A CE1 1 ATOM 2754 C CE2 . PHE A 1 194 ? 6.773 12.006 10.036 1.00 14.13 ? 194 PHE A CE2 1 ATOM 2755 C CZ . PHE A 1 194 ? 6.037 11.010 10.647 1.00 13.94 ? 194 PHE A CZ 1 ATOM 2756 H H . PHE A 1 194 ? 11.237 10.972 10.047 1.00 11.56 ? 194 PHE A H 1 ATOM 2757 H HA . PHE A 1 194 ? 10.299 8.481 9.524 1.00 11.36 ? 194 PHE A HA 1 ATOM 2758 H HB2 . PHE A 1 194 ? 9.908 10.862 8.047 1.00 11.61 ? 194 PHE A HB2 1 ATOM 2759 H HB3 . PHE A 1 194 ? 9.268 9.462 7.665 1.00 11.61 ? 194 PHE A HB3 1 ATOM 2760 H HD1 . PHE A 1 194 ? 7.838 8.482 9.732 1.00 13.25 ? 194 PHE A HD1 1 ATOM 2761 H HD2 . PHE A 1 194 ? 8.407 12.361 8.911 1.00 15.47 ? 194 PHE A HD2 1 ATOM 2762 H HE1 . PHE A 1 194 ? 5.936 9.016 10.940 1.00 15.22 ? 194 PHE A HE1 1 ATOM 2763 H HE2 . PHE A 1 194 ? 6.508 12.894 10.116 1.00 16.96 ? 194 PHE A HE2 1 ATOM 2764 H HZ . PHE A 1 194 ? 5.273 11.226 11.132 1.00 16.73 ? 194 PHE A HZ 1 ATOM 2765 N N . TRP A 1 195 ? 11.494 8.048 7.299 1.00 9.01 ? 195 TRP A N 1 ATOM 2766 C CA . TRP A 1 195 ? 12.327 7.815 6.129 1.00 8.60 ? 195 TRP A CA 1 ATOM 2767 C C . TRP A 1 195 ? 11.902 8.825 5.061 1.00 8.78 ? 195 TRP A C 1 ATOM 2768 O O . TRP A 1 195 ? 11.148 8.522 4.131 1.00 9.83 ? 195 TRP A O 1 ATOM 2769 C CB . TRP A 1 195 ? 12.181 6.371 5.646 1.00 8.04 ? 195 TRP A CB 1 ATOM 2770 C CG . TRP A 1 195 ? 12.736 5.356 6.608 1.00 8.31 ? 195 TRP A CG 1 ATOM 2771 C CD1 . TRP A 1 195 ? 12.065 4.715 7.602 1.00 8.60 ? 195 TRP A CD1 1 ATOM 2772 C CD2 . TRP A 1 195 ? 14.084 4.868 6.655 1.00 8.44 ? 195 TRP A CD2 1 ATOM 2773 N NE1 . TRP A 1 195 ? 12.906 3.851 8.262 1.00 8.56 ? 195 TRP A NE1 1 ATOM 2774 C CE2 . TRP A 1 195 ? 14.153 3.933 7.703 1.00 8.72 ? 195 TRP A CE2 1 ATOM 2775 C CE3 . TRP A 1 195 ? 15.231 5.126 5.904 1.00 9.30 ? 195 TRP A CE3 1 ATOM 2776 C CZ2 . TRP A 1 195 ? 15.333 3.254 8.024 1.00 8.71 ? 195 TRP A CZ2 1 ATOM 2777 C CZ3 . TRP A 1 195 ? 16.405 4.459 6.228 1.00 9.72 ? 195 TRP A CZ3 1 ATOM 2778 C CH2 . TRP A 1 195 ? 16.441 3.521 7.264 1.00 9.81 ? 195 TRP A CH2 1 ATOM 2779 H H . TRP A 1 195 ? 10.823 7.514 7.359 1.00 10.81 ? 195 TRP A H 1 ATOM 2780 H HA . TRP A 1 195 ? 13.257 7.974 6.353 1.00 10.31 ? 195 TRP A HA 1 ATOM 2781 H HB2 . TRP A 1 195 ? 11.239 6.176 5.519 1.00 9.65 ? 195 TRP A HB2 1 ATOM 2782 H HB3 . TRP A 1 195 ? 12.654 6.273 4.805 1.00 9.65 ? 195 TRP A HB3 1 ATOM 2783 H HD1 . TRP A 1 195 ? 11.166 4.840 7.804 1.00 10.32 ? 195 TRP A HD1 1 ATOM 2784 H HE1 . TRP A 1 195 ? 12.687 3.351 8.927 1.00 10.27 ? 195 TRP A HE1 1 ATOM 2785 H HE3 . TRP A 1 195 ? 15.213 5.740 5.206 1.00 11.16 ? 195 TRP A HE3 1 ATOM 2786 H HZ2 . TRP A 1 195 ? 15.361 2.636 8.718 1.00 10.45 ? 195 TRP A HZ2 1 ATOM 2787 H HZ3 . TRP A 1 195 ? 17.175 4.623 5.733 1.00 11.67 ? 195 TRP A HZ3 1 ATOM 2788 H HH2 . TRP A 1 195 ? 17.242 3.094 7.463 1.00 11.78 ? 195 TRP A HH2 1 ATOM 2789 N N . GLU A 1 196 ? 12.365 10.053 5.255 1.00 9.17 ? 196 GLU A N 1 ATOM 2790 C CA . GLU A 1 196 ? 11.938 11.201 4.461 1.00 9.62 ? 196 GLU A CA 1 ATOM 2791 C C . GLU A 1 196 ? 12.963 11.488 3.379 1.00 9.04 ? 196 GLU A C 1 ATOM 2792 O O . GLU A 1 196 ? 14.161 11.551 3.649 1.00 9.71 ? 196 GLU A O 1 ATOM 2793 C CB . GLU A 1 196 ? 11.766 12.406 5.380 1.00 10.74 ? 196 GLU A CB 1 ATOM 2794 C CG . GLU A 1 196 ? 11.148 13.604 4.698 1.00 12.25 ? 196 GLU A CG 1 ATOM 2795 C CD . GLU A 1 196 ? 10.829 14.737 5.648 1.00 16.44 ? 196 GLU A CD 1 ATOM 2796 O OE1 . GLU A 1 196 ? 10.319 15.762 5.173 1.00 19.08 ? 196 GLU A OE1 1 ATOM 2797 O OE2 . GLU A 1 196 ? 11.065 14.620 6.862 1.00 17.46 ? 196 GLU A OE2 1 ATOM 2798 H H . GLU A 1 196 ? 12.944 10.253 5.858 1.00 11.01 ? 196 GLU A H 1 ATOM 2799 H HA . GLU A 1 196 ? 11.086 11.008 4.039 1.00 11.54 ? 196 GLU A HA 1 ATOM 2800 H HB2 . GLU A 1 196 ? 11.191 12.156 6.120 1.00 12.89 ? 196 GLU A HB2 1 ATOM 2801 H HB3 . GLU A 1 196 ? 12.637 12.671 5.715 1.00 12.89 ? 196 GLU A HB3 1 ATOM 2802 H HG2 . GLU A 1 196 ? 11.768 13.940 4.031 1.00 14.70 ? 196 GLU A HG2 1 ATOM 2803 H HG3 . GLU A 1 196 ? 10.321 13.331 4.272 1.00 14.70 ? 196 GLU A HG3 1 ATOM 2804 N N . TRP A 1 197 ? 12.487 11.624 2.150 1.00 8.89 ? 197 TRP A N 1 ATOM 2805 C CA . TRP A 1 197 ? 13.363 11.759 0.998 1.00 8.67 ? 197 TRP A CA 1 ATOM 2806 C C . TRP A 1 197 ? 12.704 12.707 -0.005 1.00 9.14 ? 197 TRP A C 1 ATOM 2807 O O . TRP A 1 197 ? 11.578 13.163 0.217 1.00 9.84 ? 197 TRP A O 1 ATOM 2808 C CB . TRP A 1 197 ? 13.629 10.371 0.386 1.00 8.71 ? 197 TRP A CB 1 ATOM 2809 C CG . TRP A 1 197 ? 12.408 9.709 -0.177 1.00 8.81 ? 197 TRP A CG 1 ATOM 2810 C CD1 . TRP A 1 197 ? 11.345 9.191 0.518 1.00 8.80 ? 197 TRP A CD1 1 ATOM 2811 C CD2 . TRP A 1 197 ? 12.119 9.510 -1.563 1.00 8.64 ? 197 TRP A CD2 1 ATOM 2812 N NE1 . TRP A 1 197 ? 10.417 8.686 -0.360 1.00 8.88 ? 197 TRP A NE1 1 ATOM 2813 C CE2 . TRP A 1 197 ? 10.872 8.857 -1.643 1.00 8.89 ? 197 TRP A CE2 1 ATOM 2814 C CE3 . TRP A 1 197 ? 12.799 9.808 -2.738 1.00 9.30 ? 197 TRP A CE3 1 ATOM 2815 C CZ2 . TRP A 1 197 ? 10.286 8.524 -2.859 1.00 9.71 ? 197 TRP A CZ2 1 ATOM 2816 C CZ3 . TRP A 1 197 ? 12.222 9.461 -3.942 1.00 9.34 ? 197 TRP A CZ3 1 ATOM 2817 C CH2 . TRP A 1 197 ? 10.986 8.814 -3.993 1.00 9.68 ? 197 TRP A CH2 1 ATOM 2818 H H . TRP A 1 197 ? 11.650 11.641 1.955 1.00 10.67 ? 197 TRP A H 1 ATOM 2819 H HA . TRP A 1 197 ? 14.210 12.143 1.276 1.00 10.40 ? 197 TRP A HA 1 ATOM 2820 H HB2 . TRP A 1 197 ? 14.273 10.465 -0.333 1.00 10.45 ? 197 TRP A HB2 1 ATOM 2821 H HB3 . TRP A 1 197 ? 13.989 9.790 1.075 1.00 10.45 ? 197 TRP A HB3 1 ATOM 2822 H HD1 . TRP A 1 197 ? 11.260 9.192 1.444 1.00 10.56 ? 197 TRP A HD1 1 ATOM 2823 H HE1 . TRP A 1 197 ? 9.674 8.311 -0.141 1.00 10.65 ? 197 TRP A HE1 1 ATOM 2824 H HE3 . TRP A 1 197 ? 13.626 10.233 -2.713 1.00 11.16 ? 197 TRP A HE3 1 ATOM 2825 H HZ2 . TRP A 1 197 ? 9.465 8.089 -2.896 1.00 11.65 ? 197 TRP A HZ2 1 ATOM 2826 H HZ3 . TRP A 1 197 ? 12.668 9.656 -4.735 1.00 11.21 ? 197 TRP A HZ3 1 ATOM 2827 H HH2 . TRP A 1 197 ? 10.619 8.600 -4.820 1.00 11.61 ? 197 TRP A HH2 1 ATOM 2828 N N . THR A 1 198 ? 13.389 13.007 -1.104 1.00 9.63 ? 198 THR A N 1 ATOM 2829 C CA . THR A 1 198 ? 12.878 13.957 -2.095 1.00 9.94 ? 198 THR A CA 1 ATOM 2830 C C . THR A 1 198 ? 12.878 13.300 -3.463 1.00 9.27 ? 198 THR A C 1 ATOM 2831 O O . THR A 1 198 ? 13.932 13.021 -4.034 1.00 9.42 ? 198 THR A O 1 ATOM 2832 C CB . THR A 1 198 ? 13.713 15.250 -2.125 1.00 11.06 ? 198 THR A CB 1 ATOM 2833 O OG1 . THR A 1 198 ? 13.700 15.859 -0.829 1.00 12.82 ? 198 THR A OG1 1 ATOM 2834 C CG2 . THR A 1 198 ? 13.152 16.245 -3.148 1.00 11.32 ? 198 THR A CG2 1 ATOM 2835 H H . THR A 1 198 ? 14.157 12.673 -1.303 1.00 11.56 ? 198 THR A H 1 ATOM 2836 H HA . THR A 1 198 ? 11.964 14.192 -1.870 1.00 11.93 ? 198 THR A HA 1 ATOM 2837 H HB . THR A 1 198 ? 14.627 15.038 -2.372 1.00 13.27 ? 198 THR A HB 1 ATOM 2838 H HG1 . THR A 1 198 ? 12.912 16.046 -0.607 1.00 15.39 ? 198 THR A HG1 1 ATOM 2839 H HG21 . THR A 1 198 ? 13.165 15.852 -4.034 1.00 13.59 ? 198 THR A HG21 1 ATOM 2840 H HG22 . THR A 1 198 ? 12.239 16.477 -2.918 1.00 13.59 ? 198 THR A HG22 1 ATOM 2841 H HG23 . THR A 1 198 ? 13.690 17.053 -3.153 1.00 13.59 ? 198 THR A HG23 1 ATOM 2842 N N . SER A 1 199 ? 11.685 13.027 -3.972 1.00 9.05 ? 199 SER A N 1 ATOM 2843 C CA . SER A 1 199 ? 11.518 12.557 -5.338 1.00 8.25 ? 199 SER A CA 1 ATOM 2844 C C . SER A 1 199 ? 11.859 13.672 -6.312 1.00 9.06 ? 199 SER A C 1 ATOM 2845 O O . SER A 1 199 ? 11.652 14.851 -6.027 1.00 10.18 ? 199 SER A O 1 ATOM 2846 C CB . SER A 1 199 ? 10.084 12.064 -5.547 1.00 8.61 ? 199 SER A CB 1 ATOM 2847 O OG . SER A 1 199 ? 9.839 11.726 -6.901 1.00 9.19 ? 199 SER A OG 1 ATOM 2848 H H . SER A 1 199 ? 10.946 13.107 -3.540 1.00 10.86 ? 199 SER A H 1 ATOM 2849 H HA . SER A 1 199 ? 12.122 11.815 -5.499 1.00 9.91 ? 199 SER A HA 1 ATOM 2850 H HB2 . SER A 1 199 ? 9.940 11.278 -4.997 1.00 10.33 ? 199 SER A HB2 1 ATOM 2851 H HB3 . SER A 1 199 ? 9.470 12.767 -5.283 1.00 10.33 ? 199 SER A HB3 1 ATOM 2852 H HG . SER A 1 199 ? 9.958 12.398 -7.391 1.00 11.03 ? 199 SER A HG 1 ATOM 2853 N N . THR A 1 200 ? 12.366 13.299 -7.477 1.00 9.00 ? 200 THR A N 1 ATOM 2854 C CA . THR A 1 200 ? 12.807 14.278 -8.466 1.00 9.29 ? 200 THR A CA 1 ATOM 2855 C C . THR A 1 200 ? 11.740 14.647 -9.503 1.00 9.62 ? 200 THR A C 1 ATOM 2856 O O . THR A 1 200 ? 11.996 15.487 -10.367 1.00 10.72 ? 200 THR A O 1 ATOM 2857 C CB . THR A 1 200 ? 14.027 13.744 -9.194 1.00 9.89 ? 200 THR A CB 1 ATOM 2858 O OG1 . THR A 1 200 ? 13.743 12.398 -9.582 1.00 10.05 ? 200 THR A OG1 1 ATOM 2859 C CG2 . THR A 1 200 ? 15.261 13.756 -8.294 1.00 10.93 ? 200 THR A CG2 1 ATOM 2860 H H . THR A 1 200 ? 12.466 12.481 -7.723 1.00 10.80 ? 200 THR A H 1 ATOM 2861 H HA . THR A 1 200 ? 13.068 15.091 -8.005 1.00 11.15 ? 200 THR A HA 1 ATOM 2862 H HB . THR A 1 200 ? 14.205 14.284 -9.980 1.00 11.87 ? 200 THR A HB 1 ATOM 2863 H HG1 . THR A 1 200 ? 14.401 12.071 -9.990 1.00 12.06 ? 200 THR A HG1 1 ATOM 2864 H HG21 . THR A 1 200 ? 15.107 13.202 -7.513 1.00 13.12 ? 200 THR A HG21 1 ATOM 2865 H HG22 . THR A 1 200 ? 16.028 13.411 -8.778 1.00 13.12 ? 200 THR A HG22 1 ATOM 2866 H HG23 . THR A 1 200 ? 15.452 14.662 -8.005 1.00 13.12 ? 200 THR A HG23 1 ATOM 2867 N N . GLY A 1 201 ? 10.556 14.035 -9.425 1.00 9.01 ? 201 GLY A N 1 ATOM 2868 C CA . GLY A 1 201 ? 9.450 14.447 -10.269 1.00 9.23 ? 201 GLY A CA 1 ATOM 2869 C C . GLY A 1 201 ? 8.494 13.332 -10.591 1.00 8.25 ? 201 GLY A C 1 ATOM 2870 O O . GLY A 1 201 ? 8.499 12.284 -9.952 1.00 8.88 ? 201 GLY A O 1 ATOM 2871 H H . GLY A 1 201 ? 10.374 13.383 -8.893 1.00 10.81 ? 201 GLY A H 1 ATOM 2872 H HA2 . GLY A 1 201 ? 8.955 15.153 -9.825 1.00 11.08 ? 201 GLY A HA2 1 ATOM 2873 H HA3 . GLY A 1 201 ? 9.799 14.799 -11.103 1.00 11.08 ? 201 GLY A HA3 1 ATOM 2874 N N . TYR A 1 202 ? 7.666 13.561 -11.599 1.00 8.67 ? 202 TYR A N 1 ATOM 2875 C CA . TYR A 1 202 ? 6.647 12.590 -11.945 1.00 8.52 ? 202 TYR A CA 1 ATOM 2876 C C . TYR A 1 202 ? 6.243 12.669 -13.406 1.00 8.42 ? 202 TYR A C 1 ATOM 2877 O O . TYR A 1 202 ? 6.482 13.662 -14.099 1.00 9.55 ? 202 TYR A O 1 ATOM 2878 C CB . TYR A 1 202 ? 5.398 12.783 -11.052 1.00 8.27 ? 202 TYR A CB 1 ATOM 2879 C CG . TYR A 1 202 ? 4.637 14.054 -11.372 1.00 9.35 ? 202 TYR A CG 1 ATOM 2880 C CD1 . TYR A 1 202 ? 5.064 15.282 -10.891 1.00 10.45 ? 202 TYR A CD1 1 ATOM 2881 C CD2 . TYR A 1 202 ? 3.522 14.032 -12.186 1.00 10.20 ? 202 TYR A CD2 1 ATOM 2882 C CE1 . TYR A 1 202 ? 4.398 16.444 -11.192 1.00 11.92 ? 202 TYR A CE1 1 ATOM 2883 C CE2 . TYR A 1 202 ? 2.840 15.196 -12.487 1.00 11.00 ? 202 TYR A CE2 1 ATOM 2884 C CZ . TYR A 1 202 ? 3.283 16.389 -11.998 1.00 12.48 ? 202 TYR A CZ 1 ATOM 2885 O OH . TYR A 1 202 ? 2.589 17.539 -12.314 1.00 15.93 ? 202 TYR A OH 1 ATOM 2886 H H . TYR A 1 202 ? 7.673 14.265 -12.093 1.00 10.40 ? 202 TYR A H 1 ATOM 2887 H HA . TYR A 1 202 ? 6.995 11.700 -11.781 1.00 10.23 ? 202 TYR A HA 1 ATOM 2888 H HB2 . TYR A 1 202 ? 4.797 12.033 -11.183 1.00 9.92 ? 202 TYR A HB2 1 ATOM 2889 H HB3 . TYR A 1 202 ? 5.677 12.827 -10.124 1.00 9.92 ? 202 TYR A HB3 1 ATOM 2890 H HD1 . TYR A 1 202 ? 5.820 15.319 -10.350 1.00 12.54 ? 202 TYR A HD1 1 ATOM 2891 H HD2 . TYR A 1 202 ? 3.217 13.221 -12.525 1.00 12.24 ? 202 TYR A HD2 1 ATOM 2892 H HE1 . TYR A 1 202 ? 4.696 17.258 -10.855 1.00 14.31 ? 202 TYR A HE1 1 ATOM 2893 H HE2 . TYR A 1 202 ? 2.087 15.167 -13.032 1.00 13.20 ? 202 TYR A HE2 1 ATOM 2894 H HH . TYR A 1 202 ? 2.952 18.203 -11.950 1.00 19.11 ? 202 TYR A HH 1 ATOM 2895 N N . ALA A 1 203 ? 5.594 11.607 -13.861 1.00 8.27 ? 203 ALA A N 1 ATOM 2896 C CA . ALA A 1 203 ? 4.888 11.628 -15.138 1.00 8.92 ? 203 ALA A CA 1 ATOM 2897 C C . ALA A 1 203 ? 3.559 10.904 -14.981 1.00 8.68 ? 203 ALA A C 1 ATOM 2898 O O . ALA A 1 203 ? 3.404 10.021 -14.124 1.00 9.28 ? 203 ALA A O 1 ATOM 2899 C CB . ALA A 1 203 ? 5.706 10.962 -16.236 1.00 10.21 ? 203 ALA A CB 1 ATOM 2900 H H . ALA A 1 203 ? 5.546 10.854 -13.448 1.00 9.93 ? 203 ALA A H 1 ATOM 2901 H HA . ALA A 1 203 ? 4.712 12.546 -15.398 1.00 10.70 ? 203 ALA A HA 1 ATOM 2902 H HB1 . ALA A 1 203 ? 6.546 11.436 -16.335 1.00 12.26 ? 203 ALA A HB1 1 ATOM 2903 H HB2 . ALA A 1 203 ? 5.874 10.039 -15.988 1.00 12.26 ? 203 ALA A HB2 1 ATOM 2904 H HB3 . ALA A 1 203 ? 5.206 10.995 -17.066 1.00 12.26 ? 203 ALA A HB3 1 ATOM 2905 N N . VAL A 1 204 ? 2.618 11.260 -15.846 1.00 9.69 ? 204 VAL A N 1 ATOM 2906 C CA . VAL A 1 204 ? 1.309 10.627 -15.891 1.00 10.16 ? 204 VAL A CA 1 ATOM 2907 C C . VAL A 1 204 ? 1.196 9.870 -17.192 1.00 10.20 ? 204 VAL A C 1 ATOM 2908 O O . VAL A 1 204 ? 1.325 10.449 -18.272 1.00 11.47 ? 204 VAL A O 1 ATOM 2909 C CB . VAL A 1 204 ? 0.175 11.680 -15.801 1.00 10.70 ? 204 VAL A CB 1 ATOM 2910 C CG1 . VAL A 1 204 ? -1.206 11.009 -15.929 1.00 11.04 ? 204 VAL A CG1 1 ATOM 2911 C CG2 . VAL A 1 204 ? 0.274 12.443 -14.493 1.00 10.94 ? 204 VAL A CG2 1 ATOM 2912 H H . VAL A 1 204 ? 2.718 11.882 -16.431 1.00 11.63 ? 204 VAL A H 1 ATOM 2913 H HA . VAL A 1 204 ? 1.218 10.003 -15.154 1.00 12.19 ? 204 VAL A HA 1 ATOM 2914 H HB . VAL A 1 204 ? 0.271 12.314 -16.528 1.00 12.85 ? 204 VAL A HB 1 ATOM 2915 H HG11 . VAL A 1 204 ? -1.894 11.689 -15.869 1.00 13.24 ? 204 VAL A HG11 1 ATOM 2916 H HG12 . VAL A 1 204 ? -1.259 10.558 -16.787 1.00 13.24 ? 204 VAL A HG12 1 ATOM 2917 H HG13 . VAL A 1 204 ? -1.312 10.366 -15.210 1.00 13.24 ? 204 VAL A HG13 1 ATOM 2918 H HG21 . VAL A 1 204 ? 1.031 12.107 -13.988 1.00 13.12 ? 204 VAL A HG21 1 ATOM 2919 H HG22 . VAL A 1 204 ? 0.397 13.386 -14.686 1.00 13.12 ? 204 VAL A HG22 1 ATOM 2920 H HG23 . VAL A 1 204 ? -0.544 12.312 -13.988 1.00 13.12 ? 204 VAL A HG23 1 ATOM 2921 N N . GLY A 1 205 ? 0.964 8.569 -17.092 1.00 10.19 ? 205 GLY A N 1 ATOM 2922 C CA . GLY A 1 205 ? 0.860 7.743 -18.277 1.00 11.33 ? 205 GLY A CA 1 ATOM 2923 C C . GLY A 1 205 ? 2.094 7.867 -19.148 1.00 12.50 ? 205 GLY A C 1 ATOM 2924 O O . GLY A 1 205 ? 3.217 7.808 -18.648 1.00 12.85 ? 205 GLY A O 1 ATOM 2925 H H . GLY A 1 205 ? 0.863 8.144 -16.351 1.00 12.23 ? 205 GLY A H 1 ATOM 2926 H HA2 . GLY A 1 205 ? 0.754 6.814 -18.019 1.00 13.60 ? 205 GLY A HA2 1 ATOM 2927 H HA3 . GLY A 1 205 ? 0.086 8.012 -18.796 1.00 13.60 ? 205 GLY A HA3 1 ATOM 2928 N N . SER A 1 206 ? 1.884 8.042 -20.451 1.00 13.90 ? 206 SER A N 1 ATOM 2929 C CA A SER A 1 206 ? 2.994 8.184 -21.386 0.82 15.52 ? 206 SER A CA 1 ATOM 2930 C CA B SER A 1 206 ? 2.979 8.181 -21.404 0.18 15.13 ? 206 SER A CA 1 ATOM 2931 C C . SER A 1 206 ? 3.418 9.637 -21.560 1.00 15.14 ? 206 SER A C 1 ATOM 2932 O O . SER A 1 206 ? 4.165 9.964 -22.477 1.00 17.34 ? 206 SER A O 1 ATOM 2933 C CB A SER A 1 206 ? 2.600 7.616 -22.747 0.82 17.06 ? 206 SER A CB 1 ATOM 2934 C CB B SER A 1 206 ? 2.563 7.628 -22.771 0.18 16.07 ? 206 SER A CB 1 ATOM 2935 O OG A SER A 1 206 ? 1.461 8.288 -23.241 0.82 18.14 ? 206 SER A OG 1 ATOM 2936 O OG B SER A 1 206 ? 2.226 6.253 -22.694 0.18 16.75 ? 206 SER A OG 1 ATOM 2937 H H A SER A 1 206 ? 1.107 8.082 -20.818 0.82 16.68 ? 206 SER A H 1 ATOM 2938 H H B SER A 1 206 ? 1.104 8.085 -20.811 0.18 16.68 ? 206 SER A H 1 ATOM 2939 H HA A SER A 1 206 ? 3.756 7.683 -21.056 0.82 18.63 ? 206 SER A HA 1 ATOM 2940 H HA B SER A 1 206 ? 3.740 7.669 -21.090 0.18 18.15 ? 206 SER A HA 1 ATOM 2941 H HB2 A SER A 1 206 ? 3.336 7.737 -23.368 0.82 20.48 ? 206 SER A HB2 1 ATOM 2942 H HB2 B SER A 1 206 ? 1.791 8.122 -23.088 0.18 19.28 ? 206 SER A HB2 1 ATOM 2943 H HB3 A SER A 1 206 ? 2.396 6.672 -22.651 0.82 20.48 ? 206 SER A HB3 1 ATOM 2944 H HB3 B SER A 1 206 ? 3.301 7.736 -23.391 0.18 19.28 ? 206 SER A HB3 1 ATOM 2945 H HG A SER A 1 206 ? 1.626 9.108 -23.326 0.82 21.76 ? 206 SER A HG 1 ATOM 2946 H HG B SER A 1 206 ? 1.586 6.143 -22.161 0.18 20.10 ? 206 SER A HG 1 ATOM 2947 N N . GLY A 1 207 ? 2.956 10.504 -20.664 1.00 14.50 ? 207 GLY A N 1 ATOM 2948 C CA . GLY A 1 207 ? 3.288 11.915 -20.720 1.00 14.78 ? 207 GLY A CA 1 ATOM 2949 C C . GLY A 1 207 ? 4.735 12.226 -20.380 1.00 15.31 ? 207 GLY A C 1 ATOM 2950 O O . GLY A 1 207 ? 5.490 11.392 -19.876 1.00 15.39 ? 207 GLY A O 1 ATOM 2951 H H . GLY A 1 207 ? 2.442 10.294 -20.008 1.00 17.40 ? 207 GLY A H 1 ATOM 2952 H HA2 . GLY A 1 207 ? 3.110 12.248 -21.614 1.00 17.74 ? 207 GLY A HA2 1 ATOM 2953 H HA3 . GLY A 1 207 ? 2.721 12.400 -20.099 1.00 17.74 ? 207 GLY A HA3 1 ATOM 2954 N N . THR A 1 208 ? 5.121 13.462 -20.664 1.00 15.88 ? 208 THR A N 1 ATOM 2955 C CA A THR A 1 208 ? 6.488 13.870 -20.391 0.62 16.44 ? 208 THR A CA 1 ATOM 2956 C CA B THR A 1 208 ? 6.458 13.972 -20.389 0.38 15.87 ? 208 THR A CA 1 ATOM 2957 C C . THR A 1 208 ? 6.734 13.999 -18.889 1.00 15.07 ? 208 THR A C 1 ATOM 2958 O O . THR A 1 208 ? 5.836 14.299 -18.097 1.00 15.69 ? 208 THR A O 1 ATOM 2959 C CB A THR A 1 208 ? 6.831 15.189 -21.078 0.62 18.87 ? 208 THR A CB 1 ATOM 2960 C CB B THR A 1 208 ? 6.597 15.422 -20.918 0.38 16.98 ? 208 THR A CB 1 ATOM 2961 O OG1 A THR A 1 208 ? 5.903 16.188 -20.652 0.62 20.24 ? 208 THR A OG1 1 ATOM 2962 O OG1 B THR A 1 208 ? 6.082 15.516 -22.253 0.38 17.77 ? 208 THR A OG1 1 ATOM 2963 C CG2 A THR A 1 208 ? 6.775 15.034 -22.598 0.62 19.83 ? 208 THR A CG2 1 ATOM 2964 C CG2 B THR A 1 208 ? 8.055 15.880 -20.883 0.38 17.19 ? 208 THR A CG2 1 ATOM 2965 H H A THR A 1 208 ? 4.621 14.071 -21.009 0.62 19.06 ? 208 THR A H 1 ATOM 2966 H H B THR A 1 208 ? 4.606 14.045 -21.031 0.38 19.06 ? 208 THR A H 1 ATOM 2967 H HA A THR A 1 208 ? 7.091 13.192 -20.733 0.62 19.73 ? 208 THR A HA 1 ATOM 2968 H HA B THR A 1 208 ? 7.121 13.413 -20.823 0.38 19.05 ? 208 THR A HA 1 ATOM 2969 H HB A THR A 1 208 ? 7.730 15.457 -20.831 0.62 22.64 ? 208 THR A HB 1 ATOM 2970 H HB B THR A 1 208 ? 6.087 16.015 -20.344 0.38 20.38 ? 208 THR A HB 1 ATOM 2971 H HG1 A THR A 1 208 ? 6.079 16.921 -21.022 0.62 24.29 ? 208 THR A HG1 1 ATOM 2972 H HG1 B THR A 1 208 ? 6.507 15.000 -22.762 0.38 21.33 ? 208 THR A HG1 1 ATOM 2973 H HG21 A THR A 1 208 ? 7.410 14.360 -22.887 0.62 23.80 ? 208 THR A HG21 1 ATOM 2974 H HG21 B THR A 1 208 ? 8.389 15.851 -19.973 0.38 20.63 ? 208 THR A HG21 1 ATOM 2975 H HG22 A THR A 1 208 ? 5.884 14.765 -22.871 0.62 23.80 ? 208 THR A HG22 1 ATOM 2976 H HG22 B THR A 1 208 ? 8.598 15.298 -21.437 0.38 20.63 ? 208 THR A HG22 1 ATOM 2977 H HG23 A THR A 1 208 ? 6.995 15.877 -23.025 0.62 23.80 ? 208 THR A HG23 1 ATOM 2978 H HG23 B THR A 1 208 ? 8.125 16.788 -21.217 0.38 20.63 ? 208 THR A HG23 1 ATOM 2979 N N . PHE A 1 209 ? 7.970 13.732 -18.499 1.00 13.85 ? 209 PHE A N 1 ATOM 2980 C CA . PHE A 1 209 ? 8.357 13.799 -17.097 1.00 12.02 ? 209 PHE A CA 1 ATOM 2981 C C . PHE A 1 209 ? 8.527 15.248 -16.657 1.00 11.80 ? 209 PHE A C 1 ATOM 2982 O O . PHE A 1 209 ? 9.215 16.042 -17.313 1.00 13.89 ? 209 PHE A O 1 ATOM 2983 C CB . PHE A 1 209 ? 9.663 13.034 -16.896 1.00 13.55 ? 209 PHE A CB 1 ATOM 2984 C CG . PHE A 1 209 ? 10.084 12.899 -15.455 1.00 13.53 ? 209 PHE A CG 1 ATOM 2985 C CD1 . PHE A 1 209 ? 9.592 11.870 -14.659 1.00 13.46 ? 209 PHE A CD1 1 ATOM 2986 C CD2 . PHE A 1 209 ? 10.972 13.800 -14.896 1.00 13.90 ? 209 PHE A CD2 1 ATOM 2987 C CE1 . PHE A 1 209 ? 9.999 11.741 -13.331 1.00 14.07 ? 209 PHE A CE1 1 ATOM 2988 C CE2 . PHE A 1 209 ? 11.375 13.674 -13.572 1.00 14.57 ? 209 PHE A CE2 1 ATOM 2989 C CZ . PHE A 1 209 ? 10.876 12.651 -12.789 1.00 14.43 ? 209 PHE A CZ 1 ATOM 2990 H H . PHE A 1 209 ? 8.609 13.508 -19.029 1.00 16.62 ? 209 PHE A H 1 ATOM 2991 H HA . PHE A 1 209 ? 7.670 13.388 -16.550 1.00 14.42 ? 209 PHE A HA 1 ATOM 2992 H HB2 . PHE A 1 209 ? 9.559 12.140 -17.258 1.00 16.26 ? 209 PHE A HB2 1 ATOM 2993 H HB3 . PHE A 1 209 ? 10.372 13.498 -17.368 1.00 16.26 ? 209 PHE A HB3 1 ATOM 2994 H HD1 . PHE A 1 209 ? 8.997 11.253 -15.020 1.00 16.15 ? 209 PHE A HD1 1 ATOM 2995 H HD2 . PHE A 1 209 ? 11.311 14.493 -15.415 1.00 16.68 ? 209 PHE A HD2 1 ATOM 2996 H HE1 . PHE A 1 209 ? 9.661 11.052 -12.806 1.00 16.89 ? 209 PHE A HE1 1 ATOM 2997 H HE2 . PHE A 1 209 ? 11.971 14.288 -13.208 1.00 17.49 ? 209 PHE A HE2 1 ATOM 2998 H HZ . PHE A 1 209 ? 11.146 12.568 -11.903 1.00 17.31 ? 209 PHE A HZ 1 ATOM 2999 N N . LYS A 1 210 ? 7.876 15.574 -15.547 1.00 10.57 ? 210 LYS A N 1 ATOM 3000 C CA . LYS A 1 210 ? 7.972 16.881 -14.915 1.00 11.31 ? 210 LYS A CA 1 ATOM 3001 C C . LYS A 1 210 ? 9.011 16.834 -13.799 1.00 10.54 ? 210 LYS A C 1 ATOM 3002 O O . LYS A 1 210 ? 8.833 16.131 -12.811 1.00 10.73 ? 210 LYS A O 1 ATOM 3003 C CB . LYS A 1 210 ? 6.604 17.280 -14.347 1.00 12.97 ? 210 LYS A CB 1 ATOM 3004 C CG . LYS A 1 210 ? 6.593 18.587 -13.560 1.00 14.67 ? 210 LYS A CG 1 ATOM 3005 C CD . LYS A 1 210 ? 6.688 19.773 -14.447 1.00 14.78 ? 210 LYS A CD 1 ATOM 3006 C CE . LYS A 1 210 ? 6.370 21.055 -13.690 1.00 13.82 ? 210 LYS A CE 1 ATOM 3007 N NZ . LYS A 1 210 ? 6.486 22.193 -14.603 1.00 14.26 ? 210 LYS A NZ 1 ATOM 3008 H H . LYS A 1 210 ? 7.354 15.034 -15.128 1.00 12.69 ? 210 LYS A H 1 ATOM 3009 H HA . LYS A 1 210 ? 8.245 17.543 -15.569 1.00 13.58 ? 210 LYS A HA 1 ATOM 3010 H HB2 . LYS A 1 210 ? 5.980 17.375 -15.084 1.00 15.57 ? 210 LYS A HB2 1 ATOM 3011 H HB3 . LYS A 1 210 ? 6.300 16.577 -13.752 1.00 15.57 ? 210 LYS A HB3 1 ATOM 3012 H HG2 . LYS A 1 210 ? 5.764 18.650 -13.060 1.00 17.60 ? 210 LYS A HG2 1 ATOM 3013 H HG3 . LYS A 1 210 ? 7.350 18.601 -12.954 1.00 17.60 ? 210 LYS A HG3 1 ATOM 3014 H HD2 . LYS A 1 210 ? 7.590 19.841 -14.797 1.00 17.73 ? 210 LYS A HD2 1 ATOM 3015 H HD3 . LYS A 1 210 ? 6.052 19.683 -15.174 1.00 17.73 ? 210 LYS A HD3 1 ATOM 3016 H HE2 . LYS A 1 210 ? 5.462 21.019 -13.351 1.00 16.58 ? 210 LYS A HE2 1 ATOM 3017 H HE3 . LYS A 1 210 ? 7.003 21.172 -12.964 1.00 16.58 ? 210 LYS A HE3 1 ATOM 3018 H HZ1 . LYS A 1 210 ? 5.915 22.099 -15.279 1.00 17.12 ? 210 LYS A HZ1 1 ATOM 3019 H HZ2 . LYS A 1 210 ? 6.303 22.949 -14.171 1.00 17.12 ? 210 LYS A HZ2 1 ATOM 3020 H HZ3 . LYS A 1 210 ? 7.314 22.239 -14.928 1.00 17.12 ? 210 LYS A HZ3 1 ATOM 3021 N N . SER A 1 211 ? 10.107 17.563 -13.982 1.00 11.66 ? 211 SER A N 1 ATOM 3022 C CA . SER A 1 211 ? 11.144 17.665 -12.967 1.00 13.04 ? 211 SER A CA 1 ATOM 3023 C C . SER A 1 211 ? 10.702 18.645 -11.900 1.00 13.61 ? 211 SER A C 1 ATOM 3024 O O . SER A 1 211 ? 10.513 19.837 -12.164 1.00 16.08 ? 211 SER A O 1 ATOM 3025 C CB . SER A 1 211 ? 12.459 18.120 -13.588 1.00 15.96 ? 211 SER A CB 1 ATOM 3026 O OG . SER A 1 211 ? 12.937 17.142 -14.482 1.00 18.88 ? 211 SER A OG 1 ATOM 3027 H H . SER A 1 211 ? 10.273 18.014 -14.695 1.00 13.99 ? 211 SER A H 1 ATOM 3028 H HA . SER A 1 211 ? 11.281 16.799 -12.553 1.00 15.65 ? 211 SER A HA 1 ATOM 3029 H HB2 . SER A 1 211 ? 12.313 18.949 -14.071 1.00 19.15 ? 211 SER A HB2 1 ATOM 3030 H HB3 . SER A 1 211 ? 13.114 18.255 -12.884 1.00 19.15 ? 211 SER A HB3 1 ATOM 3031 H HG . SER A 1 211 ? 13.064 16.418 -14.074 1.00 22.66 ? 211 SER A HG 1 ATOM 3032 N N . THR A 1 212 ? 10.538 18.127 -10.692 1.00 12.23 ? 212 THR A N 1 ATOM 3033 C CA . THR A 1 212 ? 10.103 18.921 -9.555 1.00 12.11 ? 212 THR A CA 1 ATOM 3034 C C . THR A 1 212 ? 10.387 18.142 -8.282 1.00 12.03 ? 212 THR A C 1 ATOM 3035 O O . THR A 1 212 ? 10.174 16.941 -8.234 1.00 12.82 ? 212 THR A O 1 ATOM 3036 C CB . THR A 1 212 ? 8.594 19.300 -9.652 1.00 13.69 ? 212 THR A CB 1 ATOM 3037 O OG1 . THR A 1 212 ? 8.234 20.170 -8.575 1.00 15.88 ? 212 THR A OG1 1 ATOM 3038 C CG2 . THR A 1 212 ? 7.695 18.078 -9.641 1.00 14.06 ? 212 THR A CG2 1 ATOM 3039 H H . THR A 1 212 ? 10.675 17.299 -10.502 1.00 14.68 ? 212 THR A H 1 ATOM 3040 H HA . THR A 1 212 ? 10.617 19.743 -9.527 1.00 14.53 ? 212 THR A HA 1 ATOM 3041 H HB . THR A 1 212 ? 8.445 19.766 -10.490 1.00 16.42 ? 212 THR A HB 1 ATOM 3042 H HG1 . THR A 1 212 ? 8.693 20.872 -8.607 1.00 19.05 ? 212 THR A HG1 1 ATOM 3043 H HG21 . THR A 1 212 ? 7.906 17.504 -10.395 1.00 16.87 ? 212 THR A HG21 1 ATOM 3044 H HG22 . THR A 1 212 ? 7.824 17.579 -8.820 1.00 16.87 ? 212 THR A HG22 1 ATOM 3045 H HG23 . THR A 1 212 ? 6.766 18.349 -9.703 1.00 16.87 ? 212 THR A HG23 1 ATOM 3046 N N . SER A 1 213 ? 10.871 18.829 -7.260 1.00 11.28 ? 213 SER A N 1 ATOM 3047 C CA . SER A 1 213 ? 11.205 18.182 -6.000 1.00 11.74 ? 213 SER A CA 1 ATOM 3048 C C . SER A 1 213 ? 9.964 17.938 -5.186 1.00 11.83 ? 213 SER A C 1 ATOM 3049 O O . SER A 1 213 ? 9.213 18.875 -4.906 1.00 14.32 ? 213 SER A O 1 ATOM 3050 C CB . SER A 1 213 ? 12.152 19.048 -5.183 1.00 13.17 ? 213 SER A CB 1 ATOM 3051 O OG . SER A 1 213 ? 13.420 19.136 -5.807 1.00 15.91 ? 213 SER A OG 1 ATOM 3052 H H . SER A 1 213 ? 11.018 19.677 -7.269 1.00 13.54 ? 213 SER A H 1 ATOM 3053 H HA . SER A 1 213 ? 11.635 17.330 -6.174 1.00 14.09 ? 213 SER A HA 1 ATOM 3054 H HB2 . SER A 1 213 ? 11.776 19.939 -5.106 1.00 15.81 ? 213 SER A HB2 1 ATOM 3055 H HB3 . SER A 1 213 ? 12.259 18.656 -4.303 1.00 15.81 ? 213 SER A HB3 1 ATOM 3056 H HG . SER A 1 213 ? 13.342 19.475 -6.572 1.00 19.09 ? 213 SER A HG 1 ATOM 3057 N N . ILE A 1 214 ? 9.759 16.682 -4.796 1.00 10.34 ? 214 ILE A N 1 ATOM 3058 C CA . ILE A 1 214 ? 8.626 16.311 -3.947 1.00 10.48 ? 214 ILE A CA 1 ATOM 3059 C C . ILE A 1 214 ? 9.124 15.600 -2.691 1.00 9.92 ? 214 ILE A C 1 ATOM 3060 O O . ILE A 1 214 ? 9.509 14.436 -2.741 1.00 10.66 ? 214 ILE A O 1 ATOM 3061 C CB . ILE A 1 214 ? 7.616 15.414 -4.677 1.00 11.52 ? 214 ILE A CB 1 ATOM 3062 C CG1 . ILE A 1 214 ? 7.157 16.083 -5.982 1.00 12.46 ? 214 ILE A CG1 1 ATOM 3063 C CG2 . ILE A 1 214 ? 6.429 15.116 -3.760 1.00 11.81 ? 214 ILE A CG2 1 ATOM 3064 C CD1 . ILE A 1 214 ? 6.333 15.201 -6.880 1.00 13.86 ? 214 ILE A CD1 1 ATOM 3065 H H . ILE A 1 214 ? 10.265 16.021 -5.010 1.00 12.41 ? 214 ILE A H 1 ATOM 3066 H HA . ILE A 1 214 ? 8.163 17.117 -3.670 1.00 12.57 ? 214 ILE A HA 1 ATOM 3067 H HB . ILE A 1 214 ? 8.052 14.576 -4.898 1.00 13.83 ? 214 ILE A HB 1 ATOM 3068 H HG12 . ILE A 1 214 ? 6.620 16.859 -5.760 1.00 14.96 ? 214 ILE A HG12 1 ATOM 3069 H HG13 . ILE A 1 214 ? 7.941 16.360 -6.481 1.00 14.96 ? 214 ILE A HG13 1 ATOM 3070 H HG21 . ILE A 1 214 ? 6.003 15.951 -3.514 1.00 14.17 ? 214 ILE A HG21 1 ATOM 3071 H HG22 . ILE A 1 214 ? 5.800 14.549 -4.233 1.00 14.17 ? 214 ILE A HG22 1 ATOM 3072 H HG23 . ILE A 1 214 ? 6.751 14.662 -2.965 1.00 14.17 ? 214 ILE A HG23 1 ATOM 3073 H HD11 . ILE A 1 214 ? 6.089 15.702 -7.675 1.00 16.63 ? 214 ILE A HD11 1 ATOM 3074 H HD12 . ILE A 1 214 ? 6.858 14.424 -7.127 1.00 16.63 ? 214 ILE A HD12 1 ATOM 3075 H HD13 . ILE A 1 214 ? 5.535 14.925 -6.404 1.00 16.63 ? 214 ILE A HD13 1 ATOM 3076 N N . ASP A 1 215 ? 9.131 16.321 -1.576 1.00 9.88 ? 215 ASP A N 1 ATOM 3077 C CA A ASP A 1 215 ? 9.551 15.768 -0.299 0.60 10.10 ? 215 ASP A CA 1 ATOM 3078 C CA B ASP A 1 215 ? 9.540 15.777 -0.280 0.40 10.70 ? 215 ASP A CA 1 ATOM 3079 C C . ASP A 1 215 ? 8.450 14.878 0.274 1.00 10.68 ? 215 ASP A C 1 ATOM 3080 O O . ASP A 1 215 ? 7.299 15.289 0.351 1.00 12.87 ? 215 ASP A O 1 ATOM 3081 C CB A ASP A 1 215 ? 9.862 16.908 0.669 0.60 11.14 ? 215 ASP A CB 1 ATOM 3082 C CB B ASP A 1 215 ? 9.760 16.898 0.742 0.40 12.39 ? 215 ASP A CB 1 ATOM 3083 C CG A ASP A 1 215 ? 10.306 16.415 2.029 0.60 12.51 ? 215 ASP A CG 1 ATOM 3084 C CG B ASP A 1 215 ? 10.944 17.789 0.415 0.40 14.26 ? 215 ASP A CG 1 ATOM 3085 O OD1 A ASP A 1 215 ? 9.453 15.909 2.771 0.60 13.53 ? 215 ASP A OD1 1 ATOM 3086 O OD1 B ASP A 1 215 ? 11.788 17.414 -0.423 0.40 14.75 ? 215 ASP A OD1 1 ATOM 3087 O OD2 A ASP A 1 215 ? 11.498 16.555 2.363 0.60 16.44 ? 215 ASP A OD2 1 ATOM 3088 O OD2 B ASP A 1 215 ? 11.029 18.874 1.026 0.40 16.44 ? 215 ASP A OD2 1 ATOM 3089 H H A ASP A 1 215 ? 8.893 17.147 -1.535 0.60 11.85 ? 215 ASP A H 1 ATOM 3090 H H B ASP A 1 215 ? 8.897 17.148 -1.541 0.40 11.85 ? 215 ASP A H 1 ATOM 3091 H HA A ASP A 1 215 ? 10.352 15.235 -0.420 0.60 12.12 ? 215 ASP A HA 1 ATOM 3092 H HA B ASP A 1 215 ? 10.359 15.266 -0.374 0.40 12.84 ? 215 ASP A HA 1 ATOM 3093 H HB2 A ASP A 1 215 ? 10.575 17.451 0.299 0.60 13.37 ? 215 ASP A HB2 1 ATOM 3094 H HB2 B ASP A 1 215 ? 8.967 17.455 0.771 0.40 14.86 ? 215 ASP A HB2 1 ATOM 3095 H HB3 A ASP A 1 215 ? 9.064 17.446 0.791 0.60 13.37 ? 215 ASP A HB3 1 ATOM 3096 H HB3 B ASP A 1 215 ? 9.917 16.502 1.613 0.40 14.86 ? 215 ASP A HB3 1 ATOM 3097 N N . GLY A 1 216 ? 8.790 13.657 0.682 1.00 9.10 ? 216 GLY A N 1 ATOM 3098 C CA . GLY A 1 216 ? 7.793 12.796 1.270 1.00 8.98 ? 216 GLY A CA 1 ATOM 3099 C C . GLY A 1 216 ? 8.416 11.661 2.037 1.00 9.32 ? 216 GLY A C 1 ATOM 3100 O O . GLY A 1 216 ? 9.633 11.553 2.106 1.00 10.19 ? 216 GLY A O 1 ATOM 3101 H H . GLY A 1 216 ? 9.578 13.316 0.628 1.00 10.92 ? 216 GLY A H 1 ATOM 3102 H HA2 . GLY A 1 216 ? 7.236 13.310 1.876 1.00 10.78 ? 216 GLY A HA2 1 ATOM 3103 H HA3 . GLY A 1 216 ? 7.230 12.426 0.572 1.00 10.78 ? 216 GLY A HA3 1 ATOM 3104 N N . ILE A 1 217 ? 7.579 10.802 2.601 1.00 9.03 ? 217 ILE A N 1 ATOM 3105 C CA . ILE A 1 217 ? 8.057 9.704 3.417 1.00 8.87 ? 217 ILE A CA 1 ATOM 3106 C C . ILE A 1 217 ? 7.741 8.360 2.795 1.00 9.33 ? 217 ILE A C 1 ATOM 3107 O O . ILE A 1 217 ? 6.699 8.178 2.177 1.00 10.00 ? 217 ILE A O 1 ATOM 3108 C CB . ILE A 1 217 ? 7.537 9.800 4.867 1.00 9.75 ? 217 ILE A CB 1 ATOM 3109 C CG1 . ILE A 1 217 ? 6.018 9.634 4.948 1.00 10.84 ? 217 ILE A CG1 1 ATOM 3110 C CG2 . ILE A 1 217 ? 7.972 11.126 5.481 1.00 10.70 ? 217 ILE A CG2 1 ATOM 3111 C CD1 . ILE A 1 217 ? 5.498 9.402 6.377 1.00 12.01 ? 217 ILE A CD1 1 ATOM 3112 H H . ILE A 1 217 ? 6.723 10.836 2.524 1.00 10.83 ? 217 ILE A H 1 ATOM 3113 H HA . ILE A 1 217 ? 9.024 9.769 3.462 1.00 10.65 ? 217 ILE A HA 1 ATOM 3114 H HB . ILE A 1 217 ? 7.945 9.085 5.379 1.00 11.70 ? 217 ILE A HB 1 ATOM 3115 H HG12 . ILE A 1 217 ? 5.597 10.438 4.605 1.00 13.01 ? 217 ILE A HG12 1 ATOM 3116 H HG13 . ILE A 1 217 ? 5.758 8.871 4.409 1.00 13.01 ? 217 ILE A HG13 1 ATOM 3117 H HG21 . ILE A 1 217 ? 8.941 11.171 5.479 1.00 12.84 ? 217 ILE A HG21 1 ATOM 3118 H HG22 . ILE A 1 217 ? 7.605 11.853 4.954 1.00 12.84 ? 217 ILE A HG22 1 ATOM 3119 H HG23 . ILE A 1 217 ? 7.640 11.175 6.391 1.00 12.84 ? 217 ILE A HG23 1 ATOM 3120 H HD11 . ILE A 1 217 ? 5.901 8.595 6.732 1.00 14.42 ? 217 ILE A HD11 1 ATOM 3121 H HD12 . ILE A 1 217 ? 5.740 10.163 6.928 1.00 14.42 ? 217 ILE A HD12 1 ATOM 3122 H HD13 . ILE A 1 217 ? 4.533 9.307 6.350 1.00 14.42 ? 217 ILE A HD13 1 ATOM 3123 N N . ALA A 1 218 ? 8.661 7.419 2.950 1.00 9.09 ? 218 ALA A N 1 ATOM 3124 C CA . ALA A 1 218 ? 8.418 6.045 2.533 1.00 9.29 ? 218 ALA A CA 1 ATOM 3125 C C . ALA A 1 218 ? 7.724 5.325 3.676 1.00 8.93 ? 218 ALA A C 1 ATOM 3126 O O . ALA A 1 218 ? 8.346 5.084 4.725 1.00 9.88 ? 218 ALA A O 1 ATOM 3127 C CB . ALA A 1 218 ? 9.724 5.380 2.174 1.00 10.14 ? 218 ALA A CB 1 ATOM 3128 H H . ALA A 1 218 ? 9.438 7.550 3.295 1.00 10.91 ? 218 ALA A H 1 ATOM 3129 H HA . ALA A 1 218 ? 7.837 6.034 1.757 1.00 11.15 ? 218 ALA A HA 1 ATOM 3130 H HB1 . ALA A 1 218 ? 10.139 5.871 1.448 1.00 12.17 ? 218 ALA A HB1 1 ATOM 3131 H HB2 . ALA A 1 218 ? 10.305 5.385 2.951 1.00 12.17 ? 218 ALA A HB2 1 ATOM 3132 H HB3 . ALA A 1 218 ? 9.548 4.467 1.899 1.00 12.17 ? 218 ALA A HB3 1 ATOM 3133 N N . ASP A 1 219 ? 6.440 5.004 3.487 1.00 8.82 ? 219 ASP A N 1 ATOM 3134 C CA . ASP A 1 219 ? 5.584 4.575 4.591 1.00 8.46 ? 219 ASP A CA 1 ATOM 3135 C C . ASP A 1 219 ? 4.799 3.306 4.247 1.00 8.44 ? 219 ASP A C 1 ATOM 3136 O O . ASP A 1 219 ? 3.732 3.358 3.643 1.00 8.72 ? 219 ASP A O 1 ATOM 3137 C CB . ASP A 1 219 ? 4.631 5.713 4.974 1.00 9.19 ? 219 ASP A CB 1 ATOM 3138 C CG . ASP A 1 219 ? 3.785 5.389 6.184 1.00 10.14 ? 219 ASP A CG 1 ATOM 3139 O OD1 . ASP A 1 219 ? 3.954 4.291 6.771 1.00 11.58 ? 219 ASP A OD1 1 ATOM 3140 O OD2 . ASP A 1 219 ? 2.967 6.250 6.574 1.00 13.60 ? 219 ASP A OD2 1 ATOM 3141 H H . ASP A 1 219 ? 6.042 5.028 2.725 1.00 10.59 ? 219 ASP A H 1 ATOM 3142 H HA . ASP A 1 219 ? 6.140 4.380 5.361 1.00 10.16 ? 219 ASP A HA 1 ATOM 3143 H HB2 . ASP A 1 219 ? 5.152 6.506 5.177 1.00 11.02 ? 219 ASP A HB2 1 ATOM 3144 H HB3 . ASP A 1 219 ? 4.035 5.889 4.230 1.00 11.02 ? 219 ASP A HB3 1 ATOM 3145 N N . THR A 1 220 ? 5.316 2.160 4.675 1.00 8.66 ? 220 THR A N 1 ATOM 3146 C CA . THR A 1 220 ? 4.668 0.893 4.380 1.00 8.02 ? 220 THR A CA 1 ATOM 3147 C C . THR A 1 220 ? 3.334 0.738 5.102 1.00 7.92 ? 220 THR A C 1 ATOM 3148 O O . THR A 1 220 ? 2.532 -0.118 4.725 1.00 8.83 ? 220 THR A O 1 ATOM 3149 C CB . THR A 1 220 ? 5.558 -0.305 4.753 1.00 7.77 ? 220 THR A CB 1 ATOM 3150 O OG1 . THR A 1 220 ? 5.902 -0.237 6.140 1.00 7.96 ? 220 THR A OG1 1 ATOM 3151 C CG2 . THR A 1 220 ? 6.837 -0.321 3.929 1.00 9.28 ? 220 THR A CG2 1 ATOM 3152 H H . THR A 1 220 ? 6.039 2.091 5.136 1.00 10.39 ? 220 THR A H 1 ATOM 3153 H HA . THR A 1 220 ? 4.496 0.847 3.427 1.00 9.62 ? 220 THR A HA 1 ATOM 3154 H HB . THR A 1 220 ? 5.075 -1.128 4.582 1.00 9.32 ? 220 THR A HB 1 ATOM 3155 H HG1 . THR A 1 220 ? 5.206 -0.254 6.611 1.00 9.55 ? 220 THR A HG1 1 ATOM 3156 H HG21 . THR A 1 220 ? 6.623 -0.383 2.985 1.00 11.14 ? 220 THR A HG21 1 ATOM 3157 H HG22 . THR A 1 220 ? 7.342 0.493 4.085 1.00 11.14 ? 220 THR A HG22 1 ATOM 3158 H HG23 . THR A 1 220 ? 7.383 -1.083 4.180 1.00 11.14 ? 220 THR A HG23 1 ATOM 3159 N N . GLY A 1 221 ? 3.105 1.526 6.146 1.00 8.31 ? 221 GLY A N 1 ATOM 3160 C CA . GLY A 1 221 ? 1.876 1.446 6.913 1.00 8.17 ? 221 GLY A CA 1 ATOM 3161 C C . GLY A 1 221 ? 0.741 2.320 6.397 1.00 8.21 ? 221 GLY A C 1 ATOM 3162 O O . GLY A 1 221 ? -0.327 2.359 6.998 1.00 10.61 ? 221 GLY A O 1 ATOM 3163 H H . GLY A 1 221 ? 3.655 2.122 6.431 1.00 9.97 ? 221 GLY A H 1 ATOM 3164 H HA2 . GLY A 1 221 ? 1.567 0.526 6.917 1.00 9.81 ? 221 GLY A HA2 1 ATOM 3165 H HA3 . GLY A 1 221 ? 2.060 1.705 7.829 1.00 9.81 ? 221 GLY A HA3 1 ATOM 3166 N N . THR A 1 222 ? 0.954 3.008 5.282 1.00 8.06 ? 222 THR A N 1 ATOM 3167 C CA . THR A 1 222 ? -0.090 3.797 4.632 1.00 8.44 ? 222 THR A CA 1 ATOM 3168 C C . THR A 1 222 ? -0.430 3.108 3.318 1.00 8.05 ? 222 THR A C 1 ATOM 3169 O O . THR A 1 222 ? 0.465 2.751 2.553 1.00 9.29 ? 222 THR A O 1 ATOM 3170 C CB . THR A 1 222 ? 0.376 5.257 4.402 1.00 9.45 ? 222 THR A CB 1 ATOM 3171 O OG1 . THR A 1 222 ? 0.477 5.908 5.662 1.00 11.33 ? 222 THR A OG1 1 ATOM 3172 C CG2 . THR A 1 222 ? -0.603 6.032 3.547 1.00 10.01 ? 222 THR A CG2 1 ATOM 3173 H H . THR A 1 222 ? 1.711 3.035 4.873 1.00 9.67 ? 222 THR A H 1 ATOM 3174 H HA . THR A 1 222 ? -0.884 3.809 5.189 1.00 10.12 ? 222 THR A HA 1 ATOM 3175 H HB . THR A 1 222 ? 1.241 5.260 3.963 1.00 11.34 ? 222 THR A HB 1 ATOM 3176 H HG1 . THR A 1 222 ? 1.032 5.509 6.148 1.00 13.60 ? 222 THR A HG1 1 ATOM 3177 H HG21 . THR A 1 222 ? -0.287 6.940 3.420 1.00 12.01 ? 222 THR A HG21 1 ATOM 3178 H HG22 . THR A 1 222 ? -0.696 5.606 2.681 1.00 12.01 ? 222 THR A HG22 1 ATOM 3179 H HG23 . THR A 1 222 ? -1.471 6.058 3.980 1.00 12.01 ? 222 THR A HG23 1 ATOM 3180 N N . THR A 1 223 ? -1.722 2.951 3.043 1.00 8.13 ? 223 THR A N 1 ATOM 3181 C CA . THR A 1 223 ? -2.166 2.224 1.865 1.00 8.21 ? 223 THR A CA 1 ATOM 3182 C C . THR A 1 223 ? -1.858 2.946 0.552 1.00 7.81 ? 223 THR A C 1 ATOM 3183 O O . THR A 1 223 ? -1.388 2.347 -0.415 1.00 8.18 ? 223 THR A O 1 ATOM 3184 C CB . THR A 1 223 ? -3.691 1.978 1.932 1.00 9.11 ? 223 THR A CB 1 ATOM 3185 O OG1 . THR A 1 223 ? -4.058 1.478 3.223 1.00 9.95 ? 223 THR A OG1 1 ATOM 3186 C CG2 . THR A 1 223 ? -4.131 1.003 0.835 1.00 9.64 ? 223 THR A CG2 1 ATOM 3187 H H . THR A 1 223 ? -2.363 3.259 3.528 1.00 9.76 ? 223 THR A H 1 ATOM 3188 H HA . THR A 1 223 ? -1.724 1.361 1.843 1.00 9.85 ? 223 THR A HA 1 ATOM 3189 H HB . THR A 1 223 ? -4.149 2.820 1.781 1.00 10.93 ? 223 THR A HB 1 ATOM 3190 H HG1 . THR A 1 223 ? -3.660 0.754 3.374 1.00 11.94 ? 223 THR A HG1 1 ATOM 3191 H HG21 . THR A 1 223 ? -3.915 1.367 -0.038 1.00 11.56 ? 223 THR A HG21 1 ATOM 3192 H HG22 . THR A 1 223 ? -3.676 0.154 0.944 1.00 11.56 ? 223 THR A HG22 1 ATOM 3193 H HG23 . THR A 1 223 ? -5.089 0.857 0.887 1.00 11.56 ? 223 THR A HG23 1 ATOM 3194 N N . LEU A 1 224 ? -2.190 4.231 0.513 1.00 7.60 ? 224 LEU A N 1 ATOM 3195 C CA . LEU A 1 224 ? -2.239 4.993 -0.728 1.00 7.47 ? 224 LEU A CA 1 ATOM 3196 C C . LEU A 1 224 ? -1.034 5.905 -0.912 1.00 7.12 ? 224 LEU A C 1 ATOM 3197 O O . LEU A 1 224 ? -0.154 6.001 -0.055 1.00 8.49 ? 224 LEU A O 1 ATOM 3198 C CB . LEU A 1 224 ? -3.535 5.802 -0.795 1.00 9.04 ? 224 LEU A CB 1 ATOM 3199 C CG . LEU A 1 224 ? -4.826 4.985 -0.619 1.00 9.48 ? 224 LEU A CG 1 ATOM 3200 C CD1 . LEU A 1 224 ? -6.041 5.872 -0.838 1.00 11.99 ? 224 LEU A CD1 1 ATOM 3201 C CD2 . LEU A 1 224 ? -4.859 3.756 -1.566 1.00 10.23 ? 224 LEU A CD2 1 ATOM 3202 H H . LEU A 1 224 ? -2.396 4.693 1.209 1.00 9.12 ? 224 LEU A H 1 ATOM 3203 H HA . LEU A 1 224 ? -2.247 4.369 -1.470 1.00 8.97 ? 224 LEU A HA 1 ATOM 3204 H HB2 . LEU A 1 224 ? -3.516 6.473 -0.094 1.00 10.85 ? 224 LEU A HB2 1 ATOM 3205 H HB3 . LEU A 1 224 ? -3.581 6.239 -1.660 1.00 10.85 ? 224 LEU A HB3 1 ATOM 3206 H HG . LEU A 1 224 ? -4.863 4.655 0.293 1.00 11.37 ? 224 LEU A HG 1 ATOM 3207 H HD11 . LEU A 1 224 ? -6.025 6.594 -0.190 1.00 14.38 ? 224 LEU A HD11 1 ATOM 3208 H HD12 . LEU A 1 224 ? -6.008 6.234 -1.738 1.00 14.38 ? 224 LEU A HD12 1 ATOM 3209 H HD13 . LEU A 1 224 ? -6.844 5.342 -0.724 1.00 14.38 ? 224 LEU A HD13 1 ATOM 3210 H HD21 . LEU A 1 224 ? -4.101 3.184 -1.367 1.00 12.28 ? 224 LEU A HD21 1 ATOM 3211 H HD22 . LEU A 1 224 ? -5.686 3.270 -1.423 1.00 12.28 ? 224 LEU A HD22 1 ATOM 3212 H HD23 . LEU A 1 224 ? -4.810 4.064 -2.484 1.00 12.28 ? 224 LEU A HD23 1 ATOM 3213 N N . LEU A 1 225 ? -0.983 6.517 -2.082 1.00 7.21 ? 225 LEU A N 1 ATOM 3214 C CA . LEU A 1 225 ? 0.030 7.506 -2.446 1.00 7.12 ? 225 LEU A CA 1 ATOM 3215 C C . LEU A 1 225 ? -0.569 8.897 -2.315 1.00 7.38 ? 225 LEU A C 1 ATOM 3216 O O . LEU A 1 225 ? -1.523 9.219 -3.015 1.00 8.01 ? 225 LEU A O 1 ATOM 3217 C CB . LEU A 1 225 ? 0.488 7.242 -3.887 1.00 7.11 ? 225 LEU A CB 1 ATOM 3218 C CG . LEU A 1 225 ? 1.461 8.237 -4.529 1.00 7.68 ? 225 LEU A CG 1 ATOM 3219 C CD1 . LEU A 1 225 ? 2.694 8.463 -3.678 1.00 8.17 ? 225 LEU A CD1 1 ATOM 3220 C CD2 . LEU A 1 225 ? 1.839 7.720 -5.903 1.00 8.49 ? 225 LEU A CD2 1 ATOM 3221 H H . LEU A 1 225 ? -1.549 6.371 -2.713 1.00 8.66 ? 225 LEU A H 1 ATOM 3222 H HA . LEU A 1 225 ? 0.794 7.433 -1.853 1.00 8.55 ? 225 LEU A HA 1 ATOM 3223 H HB2 . LEU A 1 225 ? 0.919 6.373 -3.908 1.00 8.53 ? 225 LEU A HB2 1 ATOM 3224 H HB3 . LEU A 1 225 ? -0.302 7.217 -4.450 1.00 8.53 ? 225 LEU A HB3 1 ATOM 3225 H HG . LEU A 1 225 ? 1.013 9.090 -4.641 1.00 9.21 ? 225 LEU A HG 1 ATOM 3226 H HD11 . LEU A 1 225 ? 3.275 9.097 -4.126 1.00 9.81 ? 225 LEU A HD11 1 ATOM 3227 H HD12 . LEU A 1 225 ? 2.422 8.814 -2.815 1.00 9.81 ? 225 LEU A HD12 1 ATOM 3228 H HD13 . LEU A 1 225 ? 3.155 7.617 -3.561 1.00 9.81 ? 225 LEU A HD13 1 ATOM 3229 H HD21 . LEU A 1 225 ? 2.455 8.345 -6.316 1.00 10.19 ? 225 LEU A HD21 1 ATOM 3230 H HD22 . LEU A 1 225 ? 2.261 6.852 -5.808 1.00 10.19 ? 225 LEU A HD22 1 ATOM 3231 H HD23 . LEU A 1 225 ? 1.036 7.641 -6.442 1.00 10.19 ? 225 LEU A HD23 1 ATOM 3232 N N . TYR A 1 226 ? -0.027 9.699 -1.395 1.00 7.09 ? 226 TYR A N 1 ATOM 3233 C CA . TYR A 1 226 ? -0.537 11.034 -1.106 1.00 6.95 ? 226 TYR A CA 1 ATOM 3234 C C . TYR A 1 226 ? 0.478 12.070 -1.565 1.00 6.70 ? 226 TYR A C 1 ATOM 3235 O O . TYR A 1 226 ? 1.609 12.109 -1.070 1.00 7.73 ? 226 TYR A O 1 ATOM 3236 C CB . TYR A 1 226 ? -0.824 11.218 0.387 1.00 7.92 ? 226 TYR A CB 1 ATOM 3237 C CG . TYR A 1 226 ? -1.954 10.348 0.884 1.00 7.67 ? 226 TYR A CG 1 ATOM 3238 C CD1 . TYR A 1 226 ? -1.705 9.059 1.366 1.00 8.41 ? 226 TYR A CD1 1 ATOM 3239 C CD2 . TYR A 1 226 ? -3.266 10.799 0.872 1.00 8.54 ? 226 TYR A CD2 1 ATOM 3240 C CE1 . TYR A 1 226 ? -2.727 8.264 1.807 1.00 8.71 ? 226 TYR A CE1 1 ATOM 3241 C CE2 . TYR A 1 226 ? -4.296 10.012 1.313 1.00 10.06 ? 226 TYR A CE2 1 ATOM 3242 C CZ . TYR A 1 226 ? -4.025 8.742 1.783 1.00 9.69 ? 226 TYR A CZ 1 ATOM 3243 O OH . TYR A 1 226 ? -5.049 7.931 2.228 1.00 11.10 ? 226 TYR A OH 1 ATOM 3244 H H . TYR A 1 226 ? 0.653 9.482 -0.915 1.00 8.51 ? 226 TYR A H 1 ATOM 3245 H HA . TYR A 1 226 ? -1.362 11.176 -1.596 1.00 8.34 ? 226 TYR A HA 1 ATOM 3246 H HB2 . TYR A 1 226 ? -0.027 10.990 0.892 1.00 9.50 ? 226 TYR A HB2 1 ATOM 3247 H HB3 . TYR A 1 226 ? -1.065 12.143 0.550 1.00 9.50 ? 226 TYR A HB3 1 ATOM 3248 H HD1 . TYR A 1 226 ? -0.833 8.736 1.380 1.00 10.10 ? 226 TYR A HD1 1 ATOM 3249 H HD2 . TYR A 1 226 ? -3.451 11.653 0.554 1.00 10.25 ? 226 TYR A HD2 1 ATOM 3250 H HE1 . TYR A 1 226 ? -2.549 7.408 2.124 1.00 10.45 ? 226 TYR A HE1 1 ATOM 3251 H HE2 . TYR A 1 226 ? -5.170 10.329 1.297 1.00 12.07 ? 226 TYR A HE2 1 ATOM 3252 H HH . TYR A 1 226 ? -4.741 7.190 2.479 1.00 13.31 ? 226 TYR A HH 1 ATOM 3253 N N . LEU A 1 227 ? 0.064 12.899 -2.521 1.00 7.24 ? 227 LEU A N 1 ATOM 3254 C CA . LEU A 1 227 ? 0.969 13.844 -3.180 1.00 8.05 ? 227 LEU A CA 1 ATOM 3255 C C . LEU A 1 227 ? 0.329 15.229 -3.261 1.00 7.55 ? 227 LEU A C 1 ATOM 3256 O O . LEU A 1 227 ? -0.868 15.381 -2.988 1.00 8.52 ? 227 LEU A O 1 ATOM 3257 C CB . LEU A 1 227 ? 1.331 13.331 -4.581 1.00 8.63 ? 227 LEU A CB 1 ATOM 3258 C CG . LEU A 1 227 ? 2.185 12.062 -4.618 1.00 9.12 ? 227 LEU A CG 1 ATOM 3259 C CD1 . LEU A 1 227 ? 2.302 11.571 -6.045 1.00 10.80 ? 227 LEU A CD1 1 ATOM 3260 C CD2 . LEU A 1 227 ? 3.567 12.327 -4.028 1.00 10.80 ? 227 LEU A CD2 1 ATOM 3261 H H . LEU A 1 227 ? -0.745 12.935 -2.810 1.00 8.68 ? 227 LEU A H 1 ATOM 3262 H HA . LEU A 1 227 ? 1.786 13.917 -2.663 1.00 9.66 ? 227 LEU A HA 1 ATOM 3263 H HB2 . LEU A 1 227 ? 0.509 13.143 -5.061 1.00 10.36 ? 227 LEU A HB2 1 ATOM 3264 H HB3 . LEU A 1 227 ? 1.823 14.027 -5.045 1.00 10.36 ? 227 LEU A HB3 1 ATOM 3265 H HG . LEU A 1 227 ? 1.755 11.371 -4.092 1.00 10.94 ? 227 LEU A HG 1 ATOM 3266 H HD11 . LEU A 1 227 ? 1.415 11.377 -6.386 1.00 12.96 ? 227 LEU A HD11 1 ATOM 3267 H HD12 . LEU A 1 227 ? 2.720 12.261 -6.583 1.00 12.96 ? 227 LEU A HD12 1 ATOM 3268 H HD13 . LEU A 1 227 ? 2.845 10.767 -6.058 1.00 12.96 ? 227 LEU A HD13 1 ATOM 3269 H HD21 . LEU A 1 227 ? 4.087 11.509 -4.063 1.00 12.96 ? 227 LEU A HD21 1 ATOM 3270 H HD22 . LEU A 1 227 ? 4.004 13.020 -4.547 1.00 12.96 ? 227 LEU A HD22 1 ATOM 3271 H HD23 . LEU A 1 227 ? 3.467 12.617 -3.107 1.00 12.96 ? 227 LEU A HD23 1 ATOM 3272 N N . PRO A 1 228 ? 1.115 16.257 -3.630 1.00 8.00 ? 228 PRO A N 1 ATOM 3273 C CA . PRO A 1 228 ? 0.523 17.600 -3.687 1.00 8.54 ? 228 PRO A CA 1 ATOM 3274 C C . PRO A 1 228 ? -0.676 17.677 -4.634 1.00 7.71 ? 228 PRO A C 1 ATOM 3275 O O . PRO A 1 228 ? -0.762 16.955 -5.628 1.00 8.02 ? 228 PRO A O 1 ATOM 3276 C CB . PRO A 1 228 ? 1.684 18.479 -4.177 1.00 8.69 ? 228 PRO A CB 1 ATOM 3277 C CG . PRO A 1 228 ? 2.932 17.740 -3.729 1.00 9.41 ? 228 PRO A CG 1 ATOM 3278 C CD . PRO A 1 228 ? 2.561 16.288 -3.930 1.00 8.93 ? 228 PRO A CD 1 ATOM 3279 H HA . PRO A 1 228 ? 0.253 17.889 -2.802 1.00 10.25 ? 228 PRO A HA 1 ATOM 3280 H HB2 . PRO A 1 228 ? 1.656 18.553 -5.144 1.00 10.43 ? 228 PRO A HB2 1 ATOM 3281 H HB3 . PRO A 1 228 ? 1.633 19.354 -3.762 1.00 10.43 ? 228 PRO A HB3 1 ATOM 3282 H HG2 . PRO A 1 228 ? 3.685 17.988 -4.288 1.00 11.29 ? 228 PRO A HG2 1 ATOM 3283 H HG3 . PRO A 1 228 ? 3.112 17.927 -2.794 1.00 11.29 ? 228 PRO A HG3 1 ATOM 3284 H HD2 . PRO A 1 228 ? 2.721 16.022 -4.849 1.00 10.71 ? 228 PRO A HD2 1 ATOM 3285 H HD3 . PRO A 1 228 ? 3.047 15.725 -3.307 1.00 10.71 ? 228 PRO A HD3 1 ATOM 3286 N N . ALA A 1 229 ? -1.598 18.575 -4.322 1.00 7.53 ? 229 ALA A N 1 ATOM 3287 C CA . ALA A 1 229 ? -2.845 18.667 -5.057 1.00 7.99 ? 229 ALA A CA 1 ATOM 3288 C C . ALA A 1 229 ? -2.628 18.922 -6.537 1.00 8.41 ? 229 ALA A C 1 ATOM 3289 O O . ALA A 1 229 ? -3.409 18.472 -7.365 1.00 8.42 ? 229 ALA A O 1 ATOM 3290 C CB . ALA A 1 229 ? -3.701 19.765 -4.474 1.00 9.33 ? 229 ALA A CB 1 ATOM 3291 H H . ALA A 1 229 ? -1.524 19.147 -3.683 1.00 9.04 ? 229 ALA A H 1 ATOM 3292 H HA . ALA A 1 229 ? -3.327 17.831 -4.965 1.00 9.59 ? 229 ALA A HA 1 ATOM 3293 H HB1 . ALA A 1 229 ? -3.887 19.560 -3.545 1.00 11.19 ? 229 ALA A HB1 1 ATOM 3294 H HB2 . ALA A 1 229 ? -3.223 20.606 -4.539 1.00 11.19 ? 229 ALA A HB2 1 ATOM 3295 H HB3 . ALA A 1 229 ? -4.531 19.816 -4.974 1.00 11.19 ? 229 ALA A HB3 1 ATOM 3296 N N . THR A 1 230 ? -1.592 19.680 -6.871 1.00 8.49 ? 230 THR A N 1 ATOM 3297 C CA . THR A 1 230 ? -1.274 19.940 -8.270 1.00 8.54 ? 230 THR A CA 1 ATOM 3298 C C . THR A 1 230 ? -0.987 18.643 -9.044 1.00 8.05 ? 230 THR A C 1 ATOM 3299 O O . THR A 1 230 ? -1.485 18.428 -10.149 1.00 8.78 ? 230 THR A O 1 ATOM 3300 C CB . THR A 1 230 ? -0.063 20.858 -8.370 1.00 10.06 ? 230 THR A CB 1 ATOM 3301 O OG1 . THR A 1 230 ? 0.949 20.352 -7.496 1.00 12.66 ? 230 THR A OG1 1 ATOM 3302 C CG2 . THR A 1 230 ? -0.418 22.309 -7.980 1.00 10.44 ? 230 THR A CG2 1 ATOM 3303 H H . THR A 1 230 ? -1.058 20.055 -6.311 1.00 10.19 ? 230 THR A H 1 ATOM 3304 H HA . THR A 1 230 ? -2.027 20.383 -8.691 1.00 10.24 ? 230 THR A HA 1 ATOM 3305 H HB . THR A 1 230 ? 0.268 20.857 -9.282 1.00 12.08 ? 230 THR A HB 1 ATOM 3306 H HG1 . THR A 1 230 ? 0.665 20.338 -6.706 1.00 15.19 ? 230 THR A HG1 1 ATOM 3307 H HG21 . THR A 1 230 ? 0.368 22.873 -8.052 1.00 12.53 ? 230 THR A HG21 1 ATOM 3308 H HG22 . THR A 1 230 ? -1.107 22.652 -8.571 1.00 12.53 ? 230 THR A HG22 1 ATOM 3309 H HG23 . THR A 1 230 ? -0.743 22.337 -7.067 1.00 12.53 ? 230 THR A HG23 1 ATOM 3310 N N . VAL A 1 231 ? -0.153 17.796 -8.449 1.00 7.90 ? 231 VAL A N 1 ATOM 3311 C CA . VAL A 1 231 ? 0.258 16.531 -9.063 1.00 8.06 ? 231 VAL A CA 1 ATOM 3312 C C . VAL A 1 231 ? -0.941 15.591 -9.199 1.00 7.78 ? 231 VAL A C 1 ATOM 3313 O O . VAL A 1 231 ? -1.158 14.973 -10.245 1.00 8.52 ? 231 VAL A O 1 ATOM 3314 C CB . VAL A 1 231 ? 1.357 15.874 -8.203 1.00 8.84 ? 231 VAL A CB 1 ATOM 3315 C CG1 . VAL A 1 231 ? 1.741 14.506 -8.760 1.00 9.35 ? 231 VAL A CG1 1 ATOM 3316 C CG2 . VAL A 1 231 ? 2.566 16.781 -8.088 1.00 10.10 ? 231 VAL A CG2 1 ATOM 3317 H H . VAL A 1 231 ? 0.196 17.933 -7.675 1.00 9.48 ? 231 VAL A H 1 ATOM 3318 H HA . VAL A 1 231 ? 0.619 16.701 -9.947 1.00 9.67 ? 231 VAL A HA 1 ATOM 3319 H HB . VAL A 1 231 ? 1.008 15.737 -7.308 1.00 10.61 ? 231 VAL A HB 1 ATOM 3320 H HG11 . VAL A 1 231 ? 1.208 14.327 -9.551 1.00 11.22 ? 231 VAL A HG11 1 ATOM 3321 H HG12 . VAL A 1 231 ? 2.683 14.512 -8.989 1.00 11.22 ? 231 VAL A HG12 1 ATOM 3322 H HG13 . VAL A 1 231 ? 1.568 13.831 -8.085 1.00 11.22 ? 231 VAL A HG13 1 ATOM 3323 H HG21 . VAL A 1 231 ? 2.396 17.597 -8.585 1.00 12.12 ? 231 VAL A HG21 1 ATOM 3324 H HG22 . VAL A 1 231 ? 2.717 16.988 -7.153 1.00 12.12 ? 231 VAL A HG22 1 ATOM 3325 H HG23 . VAL A 1 231 ? 3.339 16.324 -8.455 1.00 12.12 ? 231 VAL A HG23 1 ATOM 3326 N N . VAL A 1 232 ? -1.737 15.513 -8.145 1.00 7.35 ? 232 VAL A N 1 ATOM 3327 C CA . VAL A 1 232 ? -2.895 14.624 -8.106 1.00 7.54 ? 232 VAL A CA 1 ATOM 3328 C C . VAL A 1 232 ? -3.949 15.061 -9.124 1.00 7.67 ? 232 VAL A C 1 ATOM 3329 O O . VAL A 1 232 ? -4.544 14.227 -9.817 1.00 7.65 ? 232 VAL A O 1 ATOM 3330 C CB . VAL A 1 232 ? -3.435 14.539 -6.659 1.00 8.52 ? 232 VAL A CB 1 ATOM 3331 C CG1 . VAL A 1 232 ? -4.701 13.713 -6.574 1.00 10.65 ? 232 VAL A CG1 1 ATOM 3332 C CG2 . VAL A 1 232 ? -2.333 13.959 -5.754 1.00 9.70 ? 232 VAL A CG2 1 ATOM 3333 H H . VAL A 1 232 ? -1.629 15.972 -7.425 1.00 8.82 ? 232 VAL A H 1 ATOM 3334 H HA . VAL A 1 232 ? -2.604 13.733 -8.357 1.00 9.05 ? 232 VAL A HA 1 ATOM 3335 H HB . VAL A 1 232 ? -3.639 15.434 -6.345 1.00 10.22 ? 232 VAL A HB 1 ATOM 3336 H HG11 . VAL A 1 232 ? -5.001 13.689 -5.651 1.00 12.78 ? 232 VAL A HG11 1 ATOM 3337 H HG12 . VAL A 1 232 ? -5.382 14.121 -7.132 1.00 12.78 ? 232 VAL A HG12 1 ATOM 3338 H HG13 . VAL A 1 232 ? -4.513 12.814 -6.884 1.00 12.78 ? 232 VAL A HG13 1 ATOM 3339 H HG21 . VAL A 1 232 ? -1.547 13.775 -6.292 1.00 11.64 ? 232 VAL A HG21 1 ATOM 3340 H HG22 . VAL A 1 232 ? -2.119 14.605 -5.064 1.00 11.64 ? 232 VAL A HG22 1 ATOM 3341 H HG23 . VAL A 1 232 ? -2.657 13.138 -5.350 1.00 11.64 ? 232 VAL A HG23 1 ATOM 3342 N N . SER A 1 233 ? -4.153 16.370 -9.249 1.00 7.71 ? 233 SER A N 1 ATOM 3343 C CA . SER A 1 233 ? -5.092 16.886 -10.236 1.00 7.94 ? 233 SER A CA 1 ATOM 3344 C C . SER A 1 233 ? -4.628 16.553 -11.657 1.00 8.06 ? 233 SER A C 1 ATOM 3345 O O . SER A 1 233 ? -5.434 16.171 -12.514 1.00 8.44 ? 233 SER A O 1 ATOM 3346 C CB . SER A 1 233 ? -5.239 18.400 -10.063 1.00 8.44 ? 233 SER A CB 1 ATOM 3347 O OG . SER A 1 233 ? -6.176 18.948 -10.975 1.00 9.07 ? 233 SER A OG 1 ATOM 3348 H H . SER A 1 233 ? -3.763 16.974 -8.777 1.00 9.25 ? 233 SER A H 1 ATOM 3349 H HA . SER A 1 233 ? -5.961 16.478 -10.096 1.00 9.53 ? 233 SER A HA 1 ATOM 3350 H HB2 . SER A 1 233 ? -5.539 18.583 -9.159 1.00 10.13 ? 233 SER A HB2 1 ATOM 3351 H HB3 . SER A 1 233 ? -4.376 18.816 -10.213 1.00 10.13 ? 233 SER A HB3 1 ATOM 3352 H HG . SER A 1 233 ? -6.931 18.600 -10.856 1.00 10.88 ? 233 SER A HG 1 ATOM 3353 N N . ALA A 1 234 ? -3.331 16.690 -11.911 1.00 7.74 ? 234 ALA A N 1 ATOM 3354 C CA . ALA A 1 234 ? -2.784 16.355 -13.225 1.00 8.78 ? 234 ALA A CA 1 ATOM 3355 C C . ALA A 1 234 ? -2.992 14.879 -13.563 1.00 8.29 ? 234 ALA A C 1 ATOM 3356 O O . ALA A 1 234 ? -3.262 14.535 -14.705 1.00 9.77 ? 234 ALA A O 1 ATOM 3357 C CB . ALA A 1 234 ? -1.324 16.713 -13.303 1.00 9.08 ? 234 ALA A CB 1 ATOM 3358 H H . ALA A 1 234 ? -2.748 16.973 -11.345 1.00 9.29 ? 234 ALA A H 1 ATOM 3359 H HA . ALA A 1 234 ? -3.250 16.878 -13.896 1.00 10.53 ? 234 ALA A HA 1 ATOM 3360 H HB1 . ALA A 1 234 ? -0.841 16.217 -12.623 1.00 10.90 ? 234 ALA A HB1 1 ATOM 3361 H HB2 . ALA A 1 234 ? -0.989 16.480 -14.183 1.00 10.90 ? 234 ALA A HB2 1 ATOM 3362 H HB3 . ALA A 1 234 ? -1.224 17.666 -13.152 1.00 10.90 ? 234 ALA A HB3 1 ATOM 3363 N N . TYR A 1 235 ? -2.881 14.005 -12.572 1.00 7.66 ? 235 TYR A N 1 ATOM 3364 C CA . TYR A 1 235 ? -3.130 12.579 -12.790 1.00 7.54 ? 235 TYR A CA 1 ATOM 3365 C C . TYR A 1 235 ? -4.606 12.330 -13.146 1.00 7.88 ? 235 TYR A C 1 ATOM 3366 O O . TYR A 1 235 ? -4.919 11.765 -14.207 1.00 7.57 ? 235 TYR A O 1 ATOM 3367 C CB . TYR A 1 235 ? -2.713 11.750 -11.551 1.00 7.04 ? 235 TYR A CB 1 ATOM 3368 C CG . TYR A 1 235 ? -3.022 10.284 -11.779 1.00 6.65 ? 235 TYR A CG 1 ATOM 3369 C CD1 . TYR A 1 235 ? -2.174 9.492 -12.540 1.00 7.27 ? 235 TYR A CD1 1 ATOM 3370 C CD2 . TYR A 1 235 ? -4.205 9.721 -11.324 1.00 7.61 ? 235 TYR A CD2 1 ATOM 3371 C CE1 . TYR A 1 235 ? -2.484 8.155 -12.825 1.00 7.45 ? 235 TYR A CE1 1 ATOM 3372 C CE2 . TYR A 1 235 ? -4.532 8.405 -11.597 1.00 7.69 ? 235 TYR A CE2 1 ATOM 3373 C CZ . TYR A 1 235 ? -3.679 7.630 -12.355 1.00 7.31 ? 235 TYR A CZ 1 ATOM 3374 O OH . TYR A 1 235 ? -4.042 6.339 -12.643 1.00 7.90 ? 235 TYR A OH 1 ATOM 3375 H H . TYR A 1 235 ? -2.665 14.207 -11.764 1.00 9.19 ? 235 TYR A H 1 ATOM 3376 H HA . TYR A 1 235 ? -2.591 12.280 -13.540 1.00 9.05 ? 235 TYR A HA 1 ATOM 3377 H HB2 . TYR A 1 235 ? -1.759 11.845 -11.403 1.00 8.45 ? 235 TYR A HB2 1 ATOM 3378 H HB3 . TYR A 1 235 ? -3.210 12.053 -10.775 1.00 8.45 ? 235 TYR A HB3 1 ATOM 3379 H HD1 . TYR A 1 235 ? -1.385 9.857 -12.872 1.00 8.73 ? 235 TYR A HD1 1 ATOM 3380 H HD2 . TYR A 1 235 ? -4.797 10.244 -10.833 1.00 9.13 ? 235 TYR A HD2 1 ATOM 3381 H HE1 . TYR A 1 235 ? -1.910 7.636 -13.341 1.00 8.94 ? 235 TYR A HE1 1 ATOM 3382 H HE2 . TYR A 1 235 ? -5.333 8.049 -11.287 1.00 9.23 ? 235 TYR A HE2 1 ATOM 3383 H HH . TYR A 1 235 ? -3.451 5.973 -13.114 1.00 9.48 ? 235 TYR A HH 1 ATOM 3384 N N . TRP A 1 236 ? -5.514 12.768 -12.274 1.00 7.34 ? 236 TRP A N 1 ATOM 3385 C CA . TRP A 1 236 ? -6.927 12.441 -12.448 1.00 7.90 ? 236 TRP A CA 1 ATOM 3386 C C . TRP A 1 236 ? -7.566 13.132 -13.639 1.00 7.85 ? 236 TRP A C 1 ATOM 3387 O O . TRP A 1 236 ? -8.560 12.640 -14.163 1.00 8.65 ? 236 TRP A O 1 ATOM 3388 C CB . TRP A 1 236 ? -7.730 12.637 -11.157 1.00 7.53 ? 236 TRP A CB 1 ATOM 3389 C CG . TRP A 1 236 ? -7.336 11.600 -10.147 1.00 6.85 ? 236 TRP A CG 1 ATOM 3390 C CD1 . TRP A 1 236 ? -6.607 11.793 -9.003 1.00 7.53 ? 236 TRP A CD1 1 ATOM 3391 C CD2 . TRP A 1 236 ? -7.605 10.197 -10.215 1.00 6.93 ? 236 TRP A CD2 1 ATOM 3392 N NE1 . TRP A 1 236 ? -6.417 10.599 -8.358 1.00 7.64 ? 236 TRP A NE1 1 ATOM 3393 C CE2 . TRP A 1 236 ? -7.006 9.600 -9.092 1.00 7.10 ? 236 TRP A CE2 1 ATOM 3394 C CE3 . TRP A 1 236 ? -8.279 9.383 -11.132 1.00 7.41 ? 236 TRP A CE3 1 ATOM 3395 C CZ2 . TRP A 1 236 ? -7.068 8.228 -8.852 1.00 7.52 ? 236 TRP A CZ2 1 ATOM 3396 C CZ3 . TRP A 1 236 ? -8.335 8.018 -10.894 1.00 8.15 ? 236 TRP A CZ3 1 ATOM 3397 C CH2 . TRP A 1 236 ? -7.740 7.456 -9.764 1.00 8.23 ? 236 TRP A CH2 1 ATOM 3398 H H . TRP A 1 236 ? -5.340 13.249 -11.582 1.00 8.80 ? 236 TRP A H 1 ATOM 3399 H HA . TRP A 1 236 ? -6.970 11.492 -12.642 1.00 9.48 ? 236 TRP A HA 1 ATOM 3400 H HB2 . TRP A 1 236 ? -7.543 13.515 -10.789 1.00 9.03 ? 236 TRP A HB2 1 ATOM 3401 H HB3 . TRP A 1 236 ? -8.677 12.541 -11.346 1.00 9.03 ? 236 TRP A HB3 1 ATOM 3402 H HD1 . TRP A 1 236 ? -6.292 12.616 -8.705 1.00 9.03 ? 236 TRP A HD1 1 ATOM 3403 H HE1 . TRP A 1 236 ? -5.985 10.491 -7.623 1.00 9.16 ? 236 TRP A HE1 1 ATOM 3404 H HE3 . TRP A 1 236 ? -8.663 9.747 -11.896 1.00 8.89 ? 236 TRP A HE3 1 ATOM 3405 H HZ2 . TRP A 1 236 ? -6.684 7.853 -8.093 1.00 9.02 ? 236 TRP A HZ2 1 ATOM 3406 H HZ3 . TRP A 1 236 ? -8.784 7.469 -11.495 1.00 9.78 ? 236 TRP A HZ3 1 ATOM 3407 H HH2 . TRP A 1 236 ? -7.809 6.540 -9.622 1.00 9.88 ? 236 TRP A HH2 1 ATOM 3408 N N . ALA A 1 237 ? -6.986 14.241 -14.090 1.00 8.07 ? 237 ALA A N 1 ATOM 3409 C CA . ALA A 1 237 ? -7.460 14.888 -15.304 1.00 8.21 ? 237 ALA A CA 1 ATOM 3410 C C . ALA A 1 237 ? -7.336 13.999 -16.528 1.00 8.93 ? 237 ALA A C 1 ATOM 3411 O O . ALA A 1 237 ? -7.976 14.270 -17.542 1.00 9.90 ? 237 ALA A O 1 ATOM 3412 C CB . ALA A 1 237 ? -6.711 16.185 -15.525 1.00 9.04 ? 237 ALA A CB 1 ATOM 3413 H H . ALA A 1 237 ? -6.320 14.635 -13.713 1.00 9.68 ? 237 ALA A H 1 ATOM 3414 H HA . ALA A 1 237 ? -8.399 15.105 -15.193 1.00 9.85 ? 237 ALA A HA 1 ATOM 3415 H HB1 . ALA A 1 237 ? -5.764 15.991 -15.610 1.00 10.85 ? 237 ALA A HB1 1 ATOM 3416 H HB2 . ALA A 1 237 ? -7.037 16.604 -16.336 1.00 10.85 ? 237 ALA A HB2 1 ATOM 3417 H HB3 . ALA A 1 237 ? -6.862 16.769 -14.766 1.00 10.85 ? 237 ALA A HB3 1 ATOM 3418 N N . GLN A 1 238 ? -6.507 12.958 -16.451 1.00 8.38 ? 238 GLN A N 1 ATOM 3419 C CA . GLN A 1 238 ? -6.358 12.019 -17.569 1.00 9.22 ? 238 GLN A CA 1 ATOM 3420 C C . GLN A 1 238 ? -7.323 10.840 -17.518 1.00 11.10 ? 238 GLN A C 1 ATOM 3421 O O . GLN A 1 238 ? -7.227 9.934 -18.354 1.00 14.50 ? 238 GLN A O 1 ATOM 3422 C CB . GLN A 1 238 ? -4.920 11.516 -17.657 1.00 10.10 ? 238 GLN A CB 1 ATOM 3423 C CG . GLN A 1 238 ? -3.924 12.652 -17.901 1.00 9.50 ? 238 GLN A CG 1 ATOM 3424 C CD . GLN A 1 238 ? -4.259 13.449 -19.145 1.00 10.15 ? 238 GLN A CD 1 ATOM 3425 O OE1 . GLN A 1 238 ? -4.465 12.871 -20.206 1.00 12.29 ? 238 GLN A OE1 1 ATOM 3426 N NE2 . GLN A 1 238 ? -4.329 14.771 -19.024 1.00 10.33 ? 238 GLN A NE2 1 ATOM 3427 H H . GLN A 1 238 ? -6.021 12.773 -15.767 1.00 10.06 ? 238 GLN A H 1 ATOM 3428 H HA . GLN A 1 238 ? -6.542 12.500 -18.391 1.00 11.06 ? 238 GLN A HA 1 ATOM 3429 H HB2 . GLN A 1 238 ? -4.684 11.081 -16.822 1.00 12.12 ? 238 GLN A HB2 1 ATOM 3430 H HB3 . GLN A 1 238 ? -4.847 10.887 -18.393 1.00 12.12 ? 238 GLN A HB3 1 ATOM 3431 H HG2 . GLN A 1 238 ? -3.939 13.256 -17.142 1.00 11.40 ? 238 GLN A HG2 1 ATOM 3432 H HG3 . GLN A 1 238 ? -3.036 12.278 -18.012 1.00 11.40 ? 238 GLN A HG3 1 ATOM 3433 H HE21 . GLN A 1 238 ? -4.517 15.257 -19.708 1.00 12.40 ? 238 GLN A HE21 1 ATOM 3434 H HE22 . GLN A 1 238 ? -4.187 15.141 -18.260 1.00 12.40 ? 238 GLN A HE22 1 ATOM 3435 N N . VAL A 1 239 ? -8.258 10.857 -16.572 1.00 9.06 ? 239 VAL A N 1 ATOM 3436 C CA . VAL A 1 239 ? -9.246 9.801 -16.441 1.00 9.33 ? 239 VAL A CA 1 ATOM 3437 C C . VAL A 1 239 ? -10.631 10.424 -16.620 1.00 9.97 ? 239 VAL A C 1 ATOM 3438 O O . VAL A 1 239 ? -11.084 11.213 -15.791 1.00 10.54 ? 239 VAL A O 1 ATOM 3439 C CB . VAL A 1 239 ? -9.142 9.137 -15.060 1.00 9.95 ? 239 VAL A CB 1 ATOM 3440 C CG1 . VAL A 1 239 ? -10.213 8.046 -14.894 1.00 10.94 ? 239 VAL A CG1 1 ATOM 3441 C CG2 . VAL A 1 239 ? -7.734 8.583 -14.831 1.00 10.43 ? 239 VAL A CG2 1 ATOM 3442 H H . VAL A 1 239 ? -8.338 11.481 -15.986 1.00 10.87 ? 239 VAL A H 1 ATOM 3443 H HA . VAL A 1 239 ? -9.109 9.129 -17.128 1.00 11.20 ? 239 VAL A HA 1 ATOM 3444 H HB . VAL A 1 239 ? -9.305 9.811 -14.381 1.00 11.94 ? 239 VAL A HB 1 ATOM 3445 H HG11 . VAL A 1 239 ? -10.743 7.998 -15.705 1.00 13.13 ? 239 VAL A HG11 1 ATOM 3446 H HG12 . VAL A 1 239 ? -9.775 7.195 -14.734 1.00 13.13 ? 239 VAL A HG12 1 ATOM 3447 H HG13 . VAL A 1 239 ? -10.781 8.273 -14.141 1.00 13.13 ? 239 VAL A HG13 1 ATOM 3448 H HG21 . VAL A 1 239 ? -7.192 8.767 -15.613 1.00 12.52 ? 239 VAL A HG21 1 ATOM 3449 H HG22 . VAL A 1 239 ? -7.349 9.014 -14.052 1.00 12.52 ? 239 VAL A HG22 1 ATOM 3450 H HG23 . VAL A 1 239 ? -7.792 7.626 -14.685 1.00 12.52 ? 239 VAL A HG23 1 ATOM 3451 N N . SER A 1 240 ? -11.308 10.057 -17.699 1.00 11.89 ? 240 SER A N 1 ATOM 3452 C CA A SER A 1 240 ? -12.618 10.626 -17.994 0.38 13.48 ? 240 SER A CA 1 ATOM 3453 C CA B SER A 1 240 ? -12.631 10.604 -17.994 0.62 13.64 ? 240 SER A CA 1 ATOM 3454 C C . SER A 1 240 ? -13.594 10.340 -16.861 1.00 12.53 ? 240 SER A C 1 ATOM 3455 O O . SER A 1 240 ? -13.754 9.200 -16.431 1.00 13.03 ? 240 SER A O 1 ATOM 3456 C CB A SER A 1 240 ? -13.161 10.082 -19.321 0.38 15.88 ? 240 SER A CB 1 ATOM 3457 C CB B SER A 1 240 ? -13.203 9.992 -19.275 0.62 16.51 ? 240 SER A CB 1 ATOM 3458 O OG A SER A 1 240 ? -14.347 10.757 -19.704 0.38 17.50 ? 240 SER A OG 1 ATOM 3459 O OG B SER A 1 240 ? -12.399 10.309 -20.388 0.62 18.06 ? 240 SER A OG 1 ATOM 3460 H H A SER A 1 240 ? -11.034 9.482 -18.277 0.38 14.27 ? 240 SER A H 1 ATOM 3461 H H B SER A 1 240 ? -11.025 9.491 -18.281 0.62 14.27 ? 240 SER A H 1 ATOM 3462 H HA A SER A 1 240 ? -12.531 11.588 -18.079 0.38 16.18 ? 240 SER A HA 1 ATOM 3463 H HA B SER A 1 240 ? -12.562 11.564 -18.119 0.62 16.37 ? 240 SER A HA 1 ATOM 3464 H HB2 A SER A 1 240 ? -12.491 10.207 -20.010 0.38 19.05 ? 240 SER A HB2 1 ATOM 3465 H HB2 B SER A 1 240 ? -13.237 9.028 -19.176 0.62 19.81 ? 240 SER A HB2 1 ATOM 3466 H HB3 A SER A 1 240 ? -13.357 9.137 -19.217 0.38 19.05 ? 240 SER A HB3 1 ATOM 3467 H HB3 B SER A 1 240 ? -14.095 10.342 -19.421 0.62 19.81 ? 240 SER A HB3 1 ATOM 3468 H HG A SER A 1 240 ? -14.632 10.448 -20.432 0.38 21.00 ? 240 SER A HG 1 ATOM 3469 H HG B SER A 1 240 ? -12.723 9.967 -21.083 0.62 21.68 ? 240 SER A HG 1 ATOM 3470 N N . GLY A 1 241 ? -14.230 11.396 -16.371 1.00 13.00 ? 241 GLY A N 1 ATOM 3471 C CA . GLY A 1 241 ? -15.224 11.262 -15.329 1.00 13.06 ? 241 GLY A CA 1 ATOM 3472 C C . GLY A 1 241 ? -14.682 11.273 -13.908 1.00 11.91 ? 241 GLY A C 1 ATOM 3473 O O . GLY A 1 241 ? -15.454 11.245 -12.957 1.00 13.80 ? 241 GLY A O 1 ATOM 3474 H H . GLY A 1 241 ? -14.099 12.205 -16.630 1.00 15.59 ? 241 GLY A H 1 ATOM 3475 H HA2 . GLY A 1 241 ? -15.862 11.988 -15.410 1.00 15.68 ? 241 GLY A HA2 1 ATOM 3476 H HA3 . GLY A 1 241 ? -15.703 10.428 -15.458 1.00 15.68 ? 241 GLY A HA3 1 ATOM 3477 N N . ALA A 1 242 ? -13.365 11.316 -13.739 1.00 9.94 ? 242 ALA A N 1 ATOM 3478 C CA . ALA A 1 242 ? -12.801 11.355 -12.397 1.00 9.73 ? 242 ALA A CA 1 ATOM 3479 C C . ALA A 1 242 ? -13.052 12.709 -11.752 1.00 10.90 ? 242 ALA A C 1 ATOM 3480 O O . ALA A 1 242 ? -13.037 13.735 -12.428 1.00 13.40 ? 242 ALA A O 1 ATOM 3481 C CB . ALA A 1 242 ? -11.313 11.047 -12.447 1.00 9.51 ? 242 ALA A CB 1 ATOM 3482 H H . ALA A 1 242 ? -12.785 11.324 -14.374 1.00 11.93 ? 242 ALA A H 1 ATOM 3483 H HA . ALA A 1 242 ? -13.231 10.677 -11.853 1.00 11.68 ? 242 ALA A HA 1 ATOM 3484 H HB1 . ALA A 1 242 ? -10.955 11.077 -11.546 1.00 11.42 ? 242 ALA A HB1 1 ATOM 3485 H HB2 . ALA A 1 242 ? -11.186 10.163 -12.825 1.00 11.42 ? 242 ALA A HB2 1 ATOM 3486 H HB3 . ALA A 1 242 ? -10.873 11.711 -13.001 1.00 11.42 ? 242 ALA A HB3 1 ATOM 3487 N N . LYS A 1 243 ? -13.256 12.712 -10.439 1.00 10.63 ? 243 LYS A N 1 ATOM 3488 C CA . LYS A 1 243 ? -13.520 13.946 -9.728 1.00 12.84 ? 243 LYS A CA 1 ATOM 3489 C C . LYS A 1 243 ? -13.189 13.756 -8.271 1.00 11.14 ? 243 LYS A C 1 ATOM 3490 O O . LYS A 1 243 ? -13.162 12.641 -7.778 1.00 10.58 ? 243 LYS A O 1 ATOM 3491 C CB . LYS A 1 243 ? -14.988 14.341 -9.873 1.00 15.97 ? 243 LYS A CB 1 ATOM 3492 C CG . LYS A 1 243 ? -15.930 13.352 -9.230 1.00 18.11 ? 243 LYS A CG 1 ATOM 3493 C CD . LYS A 1 243 ? -17.387 13.722 -9.458 1.00 21.18 ? 243 LYS A CD 1 ATOM 3494 C CE . LYS A 1 243 ? -18.283 12.713 -8.774 1.00 23.49 ? 243 LYS A CE 1 ATOM 3495 H H . LYS A 1 243 ? -13.245 12.011 -9.941 1.00 12.75 ? 243 LYS A H 1 ATOM 3496 H HA . LYS A 1 243 ? -12.966 14.658 -10.086 1.00 15.40 ? 243 LYS A HA 1 ATOM 3497 H HB2 . LYS A 1 243 ? -15.126 15.204 -9.451 1.00 19.16 ? 243 LYS A HB2 1 ATOM 3498 H HB3 . LYS A 1 243 ? -15.209 14.395 -10.816 1.00 19.16 ? 243 LYS A HB3 1 ATOM 3499 H HG2 . LYS A 1 243 ? -15.778 12.473 -9.611 1.00 21.74 ? 243 LYS A HG2 1 ATOM 3500 H HG3 . LYS A 1 243 ? -15.768 13.334 -8.273 1.00 21.74 ? 243 LYS A HG3 1 ATOM 3501 H HD2 . LYS A 1 243 ? -17.564 14.598 -9.080 1.00 25.41 ? 243 LYS A HD2 1 ATOM 3502 H HD3 . LYS A 1 243 ? -17.581 13.714 -10.408 1.00 25.41 ? 243 LYS A HD3 1 ATOM 3503 N N . SER A 1 244 ? -12.946 14.857 -7.576 1.00 11.39 ? 244 SER A N 1 ATOM 3504 C CA . SER A 1 244 ? -12.759 14.818 -6.136 1.00 12.30 ? 244 SER A CA 1 ATOM 3505 C C . SER A 1 244 ? -14.104 14.976 -5.459 1.00 13.64 ? 244 SER A C 1 ATOM 3506 O O . SER A 1 244 ? -14.825 15.938 -5.719 1.00 15.62 ? 244 SER A O 1 ATOM 3507 C CB . SER A 1 244 ? -11.806 15.913 -5.682 1.00 14.15 ? 244 SER A CB 1 ATOM 3508 O OG . SER A 1 244 ? -11.588 15.794 -4.292 1.00 16.86 ? 244 SER A OG 1 ATOM 3509 H H . SER A 1 244 ? -12.885 15.644 -7.918 1.00 13.66 ? 244 SER A H 1 ATOM 3510 H HA . SER A 1 244 ? -12.385 13.960 -5.881 1.00 14.76 ? 244 SER A HA 1 ATOM 3511 H HB2 . SER A 1 244 ? -10.961 15.817 -6.149 1.00 16.98 ? 244 SER A HB2 1 ATOM 3512 H HB3 . SER A 1 244 ? -12.199 16.779 -5.872 1.00 16.98 ? 244 SER A HB3 1 ATOM 3513 H HG . SER A 1 244 ? -12.316 15.871 -3.880 1.00 20.23 ? 244 SER A HG 1 ATOM 3514 N N . SER A 1 245 ? -14.431 14.021 -4.602 1.00 14.17 ? 245 SER A N 1 ATOM 3515 C CA . SER A 1 245 ? -15.689 13.999 -3.890 1.00 16.31 ? 245 SER A CA 1 ATOM 3516 C C . SER A 1 245 ? -15.453 14.257 -2.407 1.00 17.96 ? 245 SER A C 1 ATOM 3517 O O . SER A 1 245 ? -14.815 13.463 -1.723 1.00 16.68 ? 245 SER A O 1 ATOM 3518 C CB . SER A 1 245 ? -16.341 12.635 -4.090 1.00 16.84 ? 245 SER A CB 1 ATOM 3519 O OG . SER A 1 245 ? -17.418 12.462 -3.191 1.00 17.67 ? 245 SER A OG 1 ATOM 3520 H H . SER A 1 245 ? -13.921 13.355 -4.414 1.00 17.00 ? 245 SER A H 1 ATOM 3521 H HA . SER A 1 245 ? -16.280 14.684 -4.239 1.00 19.57 ? 245 SER A HA 1 ATOM 3522 H HB2 . SER A 1 245 ? -16.674 12.574 -4.999 1.00 20.21 ? 245 SER A HB2 1 ATOM 3523 H HB3 . SER A 1 245 ? -15.681 11.942 -3.931 1.00 20.21 ? 245 SER A HB3 1 ATOM 3524 H HG . SER A 1 245 ? -17.997 13.057 -3.318 1.00 21.20 ? 245 SER A HG 1 ATOM 3525 N N . SER A 1 246 ? -15.958 15.376 -1.908 1.00 21.60 ? 246 SER A N 1 ATOM 3526 C CA . SER A 1 246 ? -15.809 15.682 -0.492 1.00 24.31 ? 246 SER A CA 1 ATOM 3527 C C . SER A 1 246 ? -16.625 14.694 0.346 1.00 24.55 ? 246 SER A C 1 ATOM 3528 O O . SER A 1 246 ? -16.232 14.345 1.453 1.00 26.51 ? 246 SER A O 1 ATOM 3529 C CB . SER A 1 246 ? -16.191 17.142 -0.184 1.00 27.75 ? 246 SER A CB 1 ATOM 3530 O OG . SER A 1 246 ? -17.481 17.465 -0.671 1.00 30.92 ? 246 SER A OG 1 ATOM 3531 H H . SER A 1 246 ? -16.385 15.969 -2.361 1.00 25.92 ? 246 SER A H 1 ATOM 3532 H HA . SER A 1 246 ? -14.877 15.568 -0.249 1.00 29.17 ? 246 SER A HA 1 ATOM 3533 H HB2 . SER A 1 246 ? -16.178 17.272 0.777 1.00 33.30 ? 246 SER A HB2 1 ATOM 3534 H HB3 . SER A 1 246 ? -15.543 17.729 -0.604 1.00 33.30 ? 246 SER A HB3 1 ATOM 3535 H HG . SER A 1 246 ? -18.056 16.967 -0.314 1.00 37.10 ? 246 SER A HG 1 ATOM 3536 N N . SER A 1 247 ? -17.730 14.200 -0.201 1.00 22.64 ? 247 SER A N 1 ATOM 3537 C CA . SER A 1 247 ? -18.571 13.269 0.542 1.00 22.07 ? 247 SER A CA 1 ATOM 3538 C C . SER A 1 247 ? -17.911 11.898 0.677 1.00 19.88 ? 247 SER A C 1 ATOM 3539 O O . SER A 1 247 ? -18.036 11.239 1.706 1.00 20.79 ? 247 SER A O 1 ATOM 3540 C CB . SER A 1 247 ? -19.959 13.153 -0.096 1.00 24.09 ? 247 SER A CB 1 ATOM 3541 O OG . SER A 1 247 ? -19.882 12.712 -1.438 1.00 26.62 ? 247 SER A OG 1 ATOM 3542 H H . SER A 1 247 ? -18.012 14.385 -0.992 1.00 27.17 ? 247 SER A H 1 ATOM 3543 H HA . SER A 1 247 ? -18.694 13.619 1.438 1.00 26.48 ? 247 SER A HA 1 ATOM 3544 H HB2 . SER A 1 247 ? -20.485 12.518 0.414 1.00 28.91 ? 247 SER A HB2 1 ATOM 3545 H HB3 . SER A 1 247 ? -20.385 14.024 -0.076 1.00 28.91 ? 247 SER A HB3 1 ATOM 3546 H HG . SER A 1 247 ? -19.430 13.254 -1.893 1.00 31.94 ? 247 SER A HG 1 ATOM 3547 N N . VAL A 1 248 ? -17.191 11.468 -0.349 1.00 17.67 ? 248 VAL A N 1 ATOM 3548 C CA . VAL A 1 248 ? -16.508 10.182 -0.278 1.00 17.56 ? 248 VAL A CA 1 ATOM 3549 C C . VAL A 1 248 ? -15.165 10.321 0.452 1.00 18.43 ? 248 VAL A C 1 ATOM 3550 O O . VAL A 1 248 ? -14.761 9.426 1.199 1.00 20.38 ? 248 VAL A O 1 ATOM 3551 C CB . VAL A 1 248 ? -16.347 9.562 -1.675 1.00 17.39 ? 248 VAL A CB 1 ATOM 3552 C CG1 . VAL A 1 248 ? -15.535 8.260 -1.605 1.00 18.80 ? 248 VAL A CG1 1 ATOM 3553 C CG2 . VAL A 1 248 ? -17.732 9.335 -2.316 1.00 17.07 ? 248 VAL A CG2 1 ATOM 3554 H H . VAL A 1 248 ? -17.082 11.894 -1.088 1.00 21.20 ? 248 VAL A H 1 ATOM 3555 H HA . VAL A 1 248 ? -17.056 9.576 0.244 1.00 21.07 ? 248 VAL A HA 1 ATOM 3556 H HB . VAL A 1 248 ? -15.859 10.184 -2.237 1.00 20.87 ? 248 VAL A HB 1 ATOM 3557 H HG11 . VAL A 1 248 ? -15.287 8.093 -0.682 1.00 22.56 ? 248 VAL A HG11 1 ATOM 3558 H HG12 . VAL A 1 248 ? -16.081 7.531 -1.939 1.00 22.56 ? 248 VAL A HG12 1 ATOM 3559 H HG13 . VAL A 1 248 ? -14.739 8.355 -2.150 1.00 22.56 ? 248 VAL A HG13 1 ATOM 3560 H HG21 . VAL A 1 248 ? -18.418 9.634 -1.698 1.00 20.48 ? 248 VAL A HG21 1 ATOM 3561 H HG22 . VAL A 1 248 ? -17.785 9.844 -3.141 1.00 20.48 ? 248 VAL A HG22 1 ATOM 3562 H HG23 . VAL A 1 248 ? -17.843 8.390 -2.502 1.00 20.48 ? 248 VAL A HG23 1 ATOM 3563 N N . GLY A 1 249 ? -14.499 11.454 0.266 1.00 16.27 ? 249 GLY A N 1 ATOM 3564 C CA . GLY A 1 249 ? -13.236 11.713 0.932 1.00 16.78 ? 249 GLY A CA 1 ATOM 3565 C C . GLY A 1 249 ? -12.020 11.621 0.037 1.00 15.44 ? 249 GLY A C 1 ATOM 3566 O O . GLY A 1 249 ? -10.928 11.318 0.507 1.00 16.71 ? 249 GLY A O 1 ATOM 3567 H H . GLY A 1 249 ? -14.762 12.093 -0.246 1.00 19.52 ? 249 GLY A H 1 ATOM 3568 H HA2 . GLY A 1 249 ? -13.259 12.604 1.316 1.00 20.14 ? 249 GLY A HA2 1 ATOM 3569 H HA3 . GLY A 1 249 ? -13.125 11.076 1.656 1.00 20.14 ? 249 GLY A HA3 1 ATOM 3570 N N . GLY A 1 250 ? -12.201 11.905 -1.247 1.00 12.47 ? 250 GLY A N 1 ATOM 3571 C CA . GLY A 1 250 ? -11.100 11.965 -2.177 1.00 11.42 ? 250 GLY A CA 1 ATOM 3572 C C . GLY A 1 250 ? -11.554 11.766 -3.610 1.00 9.01 ? 250 GLY A C 1 ATOM 3573 O O . GLY A 1 250 ? -12.746 11.824 -3.929 1.00 9.50 ? 250 GLY A O 1 ATOM 3574 H H . GLY A 1 250 ? -12.967 12.068 -1.602 1.00 14.97 ? 250 GLY A H 1 ATOM 3575 H HA2 . GLY A 1 250 ? -10.665 12.829 -2.109 1.00 13.70 ? 250 GLY A HA2 1 ATOM 3576 H HA3 . GLY A 1 250 ? -10.454 11.275 -1.960 1.00 13.70 ? 250 GLY A HA3 1 ATOM 3577 N N . TYR A 1 251 ? -10.582 11.543 -4.475 1.00 8.26 ? 251 TYR A N 1 ATOM 3578 C CA . TYR A 1 251 ? -10.836 11.285 -5.866 1.00 7.47 ? 251 TYR A CA 1 ATOM 3579 C C . TYR A 1 251 ? -11.469 9.923 -6.080 1.00 7.74 ? 251 TYR A C 1 ATOM 3580 O O . TYR A 1 251 ? -11.006 8.896 -5.549 1.00 7.87 ? 251 TYR A O 1 ATOM 3581 C CB . TYR A 1 251 ? -9.536 11.391 -6.664 1.00 8.89 ? 251 TYR A CB 1 ATOM 3582 C CG . TYR A 1 251 ? -9.135 12.806 -6.978 1.00 9.06 ? 251 TYR A CG 1 ATOM 3583 C CD1 . TYR A 1 251 ? -8.332 13.545 -6.113 1.00 9.95 ? 251 TYR A CD1 1 ATOM 3584 C CD2 . TYR A 1 251 ? -9.554 13.422 -8.156 1.00 9.30 ? 251 TYR A CD2 1 ATOM 3585 C CE1 . TYR A 1 251 ? -7.960 14.842 -6.423 1.00 10.90 ? 251 TYR A CE1 1 ATOM 3586 C CE2 . TYR A 1 251 ? -9.188 14.723 -8.461 1.00 10.99 ? 251 TYR A CE2 1 ATOM 3587 C CZ . TYR A 1 251 ? -8.384 15.418 -7.599 1.00 11.95 ? 251 TYR A CZ 1 ATOM 3588 O OH . TYR A 1 251 ? -8.015 16.707 -7.911 1.00 13.54 ? 251 TYR A OH 1 ATOM 3589 H H . TYR A 1 251 ? -9.747 11.537 -4.269 1.00 9.91 ? 251 TYR A H 1 ATOM 3590 H HA . TYR A 1 251 ? -11.450 11.956 -6.203 1.00 8.96 ? 251 TYR A HA 1 ATOM 3591 H HB2 . TYR A 1 251 ? -8.820 10.986 -6.151 1.00 10.66 ? 251 TYR A HB2 1 ATOM 3592 H HB3 . TYR A 1 251 ? -9.646 10.920 -7.505 1.00 10.66 ? 251 TYR A HB3 1 ATOM 3593 H HD1 . TYR A 1 251 ? -8.033 13.159 -5.322 1.00 11.94 ? 251 TYR A HD1 1 ATOM 3594 H HD2 . TYR A 1 251 ? -10.091 12.950 -8.750 1.00 11.16 ? 251 TYR A HD2 1 ATOM 3595 H HE1 . TYR A 1 251 ? -7.418 15.322 -5.839 1.00 13.07 ? 251 TYR A HE1 1 ATOM 3596 H HE2 . TYR A 1 251 ? -9.471 15.115 -9.256 1.00 13.18 ? 251 TYR A HE2 1 ATOM 3597 H HH . TYR A 1 251 ? -7.534 17.024 -7.299 1.00 16.25 ? 251 TYR A HH 1 ATOM 3598 N N . VAL A 1 252 ? -12.525 9.947 -6.884 1.00 8.04 ? 252 VAL A N 1 ATOM 3599 C CA . VAL A 1 252 ? -13.216 8.761 -7.341 1.00 8.43 ? 252 VAL A CA 1 ATOM 3600 C C . VAL A 1 252 ? -13.235 8.802 -8.858 1.00 7.81 ? 252 VAL A C 1 ATOM 3601 O O . VAL A 1 252 ? -13.025 9.856 -9.469 1.00 9.58 ? 252 VAL A O 1 ATOM 3602 C CB . VAL A 1 252 ? -14.650 8.708 -6.790 1.00 9.84 ? 252 VAL A CB 1 ATOM 3603 C CG1 . VAL A 1 252 ? -14.619 8.545 -5.272 1.00 10.76 ? 252 VAL A CG1 1 ATOM 3604 C CG2 . VAL A 1 252 ? -15.463 9.932 -7.224 1.00 11.23 ? 252 VAL A CG2 1 ATOM 3605 H H . VAL A 1 252 ? -12.869 10.674 -7.188 1.00 9.65 ? 252 VAL A H 1 ATOM 3606 H HA . VAL A 1 252 ? -12.738 7.968 -7.053 1.00 10.11 ? 252 VAL A HA 1 ATOM 3607 H HB . VAL A 1 252 ? -15.089 7.925 -7.157 1.00 11.81 ? 252 VAL A HB 1 ATOM 3608 H HG11 . VAL A 1 252 ? -13.696 8.509 -4.977 1.00 12.91 ? 252 VAL A HG11 1 ATOM 3609 H HG12 . VAL A 1 252 ? -15.068 9.302 -4.864 1.00 12.91 ? 252 VAL A HG12 1 ATOM 3610 H HG13 . VAL A 1 252 ? -15.075 7.722 -5.034 1.00 12.91 ? 252 VAL A HG13 1 ATOM 3611 H HG21 . VAL A 1 252 ? -14.902 10.506 -7.768 1.00 13.47 ? 252 VAL A HG21 1 ATOM 3612 H HG22 . VAL A 1 252 ? -16.230 9.635 -7.737 1.00 13.47 ? 252 VAL A HG22 1 ATOM 3613 H HG23 . VAL A 1 252 ? -15.758 10.411 -6.433 1.00 13.47 ? 252 VAL A HG23 1 ATOM 3614 N N . PHE A 1 253 ? -13.466 7.655 -9.473 1.00 7.87 ? 253 PHE A N 1 ATOM 3615 C CA . PHE A 1 253 ? -13.451 7.563 -10.924 1.00 8.19 ? 253 PHE A CA 1 ATOM 3616 C C . PHE A 1 253 ? -14.424 6.473 -11.357 1.00 8.42 ? 253 PHE A C 1 ATOM 3617 O O . PHE A 1 253 ? -14.765 5.583 -10.573 1.00 7.76 ? 253 PHE A O 1 ATOM 3618 C CB . PHE A 1 253 ? -12.018 7.297 -11.430 1.00 9.00 ? 253 PHE A CB 1 ATOM 3619 C CG . PHE A 1 253 ? -11.492 5.933 -11.064 1.00 8.57 ? 253 PHE A CG 1 ATOM 3620 C CD1 . PHE A 1 253 ? -10.862 5.706 -9.841 1.00 9.39 ? 253 PHE A CD1 1 ATOM 3621 C CD2 . PHE A 1 253 ? -11.656 4.870 -11.927 1.00 9.26 ? 253 PHE A CD2 1 ATOM 3622 C CE1 . PHE A 1 253 ? -10.415 4.461 -9.498 1.00 9.57 ? 253 PHE A CE1 1 ATOM 3623 C CE2 . PHE A 1 253 ? -11.196 3.618 -11.590 1.00 9.38 ? 253 PHE A CE2 1 ATOM 3624 C CZ . PHE A 1 253 ? -10.586 3.412 -10.370 1.00 9.63 ? 253 PHE A CZ 1 ATOM 3625 H H . PHE A 1 253 ? -13.635 6.912 -9.073 1.00 9.45 ? 253 PHE A H 1 ATOM 3626 H HA . PHE A 1 253 ? -13.753 8.405 -11.300 1.00 9.83 ? 253 PHE A HA 1 ATOM 3627 H HB2 . PHE A 1 253 ? -12.009 7.369 -12.397 1.00 10.80 ? 253 PHE A HB2 1 ATOM 3628 H HB3 . PHE A 1 253 ? -11.422 7.958 -11.045 1.00 10.80 ? 253 PHE A HB3 1 ATOM 3629 H HD1 . PHE A 1 253 ? -10.756 6.411 -9.244 1.00 11.26 ? 253 PHE A HD1 1 ATOM 3630 H HD2 . PHE A 1 253 ? -12.077 5.001 -12.746 1.00 11.11 ? 253 PHE A HD2 1 ATOM 3631 H HE1 . PHE A 1 253 ? -9.993 4.324 -8.681 1.00 11.49 ? 253 PHE A HE1 1 ATOM 3632 H HE2 . PHE A 1 253 ? -11.310 2.907 -12.178 1.00 11.26 ? 253 PHE A HE2 1 ATOM 3633 H HZ . PHE A 1 253 ? -10.269 2.567 -10.147 1.00 11.55 ? 253 PHE A HZ 1 ATOM 3634 N N . PRO A 1 254 ? -14.888 6.530 -12.612 1.00 8.70 ? 254 PRO A N 1 ATOM 3635 C CA . PRO A 1 254 ? -15.833 5.499 -13.054 1.00 9.34 ? 254 PRO A CA 1 ATOM 3636 C C . PRO A 1 254 ? -15.168 4.134 -13.059 1.00 8.93 ? 254 PRO A C 1 ATOM 3637 O O . PRO A 1 254 ? -14.064 3.986 -13.583 1.00 9.48 ? 254 PRO A O 1 ATOM 3638 C CB . PRO A 1 254 ? -16.167 5.925 -14.485 1.00 10.10 ? 254 PRO A CB 1 ATOM 3639 C CG . PRO A 1 254 ? -15.826 7.368 -14.557 1.00 10.64 ? 254 PRO A CG 1 ATOM 3640 C CD . PRO A 1 254 ? -14.678 7.573 -13.629 1.00 9.51 ? 254 PRO A CD 1 ATOM 3641 H HA . PRO A 1 254 ? -16.634 5.490 -12.506 1.00 11.21 ? 254 PRO A HA 1 ATOM 3642 H HB2 . PRO A 1 254 ? -15.629 5.415 -15.111 1.00 12.12 ? 254 PRO A HB2 1 ATOM 3643 H HB3 . PRO A 1 254 ? -17.112 5.788 -14.654 1.00 12.12 ? 254 PRO A HB3 1 ATOM 3644 H HG2 . PRO A 1 254 ? -15.574 7.596 -15.465 1.00 12.77 ? 254 PRO A HG2 1 ATOM 3645 H HG3 . PRO A 1 254 ? -16.590 7.895 -14.274 1.00 12.77 ? 254 PRO A HG3 1 ATOM 3646 H HD2 . PRO A 1 254 ? -13.838 7.431 -14.092 1.00 11.42 ? 254 PRO A HD2 1 ATOM 3647 H HD3 . PRO A 1 254 ? -14.720 8.454 -13.226 1.00 11.42 ? 254 PRO A HD3 1 ATOM 3648 N N . CYS A 1 255 ? -15.826 3.125 -12.502 1.00 9.19 ? 255 CYS A N 1 ATOM 3649 C CA . CYS A 1 255 ? -15.221 1.801 -12.458 1.00 10.97 ? 255 CYS A CA 1 ATOM 3650 C C . CYS A 1 255 ? -14.960 1.223 -13.856 1.00 11.57 ? 255 CYS A C 1 ATOM 3651 O O . CYS A 1 255 ? -14.180 0.278 -14.004 1.00 14.01 ? 255 CYS A O 1 ATOM 3652 C CB . CYS A 1 255 ? -16.068 0.836 -11.629 1.00 11.32 ? 255 CYS A CB 1 ATOM 3653 S SG . CYS A 1 255 ? -16.138 1.244 -9.849 1.00 11.10 ? 255 CYS A SG 1 ATOM 3654 H H . CYS A 1 255 ? -16.609 3.178 -12.150 1.00 11.03 ? 255 CYS A H 1 ATOM 3655 H HA . CYS A 1 255 ? -14.361 1.878 -12.017 1.00 13.16 ? 255 CYS A HA 1 ATOM 3656 H HB2 . CYS A 1 255 ? -16.976 0.847 -11.970 1.00 13.59 ? 255 CYS A HB2 1 ATOM 3657 H HB3 . CYS A 1 255 ? -15.697 -0.056 -11.713 1.00 13.59 ? 255 CYS A HB3 1 ATOM 3658 N N . SER A 1 256 ? -15.608 1.791 -14.871 1.00 10.67 ? 256 SER A N 1 ATOM 3659 C CA . SER A 1 256 ? -15.377 1.384 -16.257 1.00 11.41 ? 256 SER A CA 1 ATOM 3660 C C . SER A 1 256 ? -14.071 1.922 -16.867 1.00 11.93 ? 256 SER A C 1 ATOM 3661 O O . SER A 1 256 ? -13.720 1.568 -17.992 1.00 12.60 ? 256 SER A O 1 ATOM 3662 C CB . SER A 1 256 ? -16.553 1.819 -17.135 1.00 11.64 ? 256 SER A CB 1 ATOM 3663 O OG . SER A 1 256 ? -16.729 3.226 -17.141 1.00 11.95 ? 256 SER A OG 1 ATOM 3664 H H . SER A 1 256 ? -16.190 2.418 -14.784 1.00 12.80 ? 256 SER A H 1 ATOM 3665 H HA . SER A 1 256 ? -15.334 0.416 -16.288 1.00 13.69 ? 256 SER A HA 1 ATOM 3666 H HB2 . SER A 1 256 ? -16.389 1.522 -18.043 1.00 13.97 ? 256 SER A HB2 1 ATOM 3667 H HB3 . SER A 1 256 ? -17.363 1.405 -16.796 1.00 13.97 ? 256 SER A HB3 1 ATOM 3668 H HG . SER A 1 256 ? -16.877 3.501 -16.361 1.00 14.34 ? 256 SER A HG 1 ATOM 3669 N N . ALA A 1 257 ? -13.366 2.786 -16.152 1.00 11.48 ? 257 ALA A N 1 ATOM 3670 C CA . ALA A 1 257 ? -12.152 3.395 -16.679 1.00 11.94 ? 257 ALA A CA 1 ATOM 3671 C C . ALA A 1 257 ? -10.968 2.448 -16.745 1.00 13.74 ? 257 ALA A C 1 ATOM 3672 O O . ALA A 1 257 ? -10.857 1.506 -15.963 1.00 15.34 ? 257 ALA A O 1 ATOM 3673 C CB . ALA A 1 257 ? -11.763 4.580 -15.815 1.00 14.04 ? 257 ALA A CB 1 ATOM 3674 H H . ALA A 1 257 ? -13.570 3.038 -15.355 1.00 13.78 ? 257 ALA A H 1 ATOM 3675 H HA . ALA A 1 257 ? -12.326 3.722 -17.575 1.00 14.33 ? 257 ALA A HA 1 ATOM 3676 H HB1 . ALA A 1 257 ? -11.607 4.271 -14.908 1.00 16.85 ? 257 ALA A HB1 1 ATOM 3677 H HB2 . ALA A 1 257 ? -10.954 4.979 -16.172 1.00 16.85 ? 257 ALA A HB2 1 ATOM 3678 H HB3 . ALA A 1 257 ? -12.484 5.228 -15.825 1.00 16.85 ? 257 ALA A HB3 1 ATOM 3679 N N . THR A 1 258 ? -10.064 2.744 -17.670 1.00 13.80 ? 258 THR A N 1 ATOM 3680 C CA . THR A 1 258 ? -8.728 2.167 -17.661 1.00 14.87 ? 258 THR A CA 1 ATOM 3681 C C . THR A 1 258 ? -7.790 3.247 -17.139 1.00 13.91 ? 258 THR A C 1 ATOM 3682 O O . THR A 1 258 ? -7.667 4.302 -17.745 1.00 15.89 ? 258 THR A O 1 ATOM 3683 C CB . THR A 1 258 ? -8.278 1.758 -19.073 1.00 17.51 ? 258 THR A CB 1 ATOM 3684 O OG1 . THR A 1 258 ? -9.180 0.783 -19.597 1.00 19.24 ? 258 THR A OG1 1 ATOM 3685 C CG2 . THR A 1 258 ? -6.874 1.170 -19.049 1.00 19.22 ? 258 THR A CG2 1 ATOM 3686 H H . THR A 1 258 ? -10.203 3.286 -18.323 1.00 16.56 ? 258 THR A H 1 ATOM 3687 H HA . THR A 1 258 ? -8.694 1.397 -17.073 1.00 17.84 ? 258 THR A HA 1 ATOM 3688 H HB . THR A 1 258 ? -8.275 2.538 -19.649 1.00 21.01 ? 258 THR A HB 1 ATOM 3689 H HG1 . THR A 1 258 ? -8.939 0.556 -20.369 1.00 23.08 ? 258 THR A HG1 1 ATOM 3690 H HG21 . THR A 1 258 ? -6.853 0.384 -18.480 1.00 23.07 ? 258 THR A HG21 1 ATOM 3691 H HG22 . THR A 1 258 ? -6.605 0.917 -19.946 1.00 23.07 ? 258 THR A HG22 1 ATOM 3692 H HG23 . THR A 1 258 ? -6.246 1.825 -18.705 1.00 23.07 ? 258 THR A HG23 1 ATOM 3693 N N . LEU A 1 259 ? -7.120 2.992 -16.023 1.00 11.16 ? 259 LEU A N 1 ATOM 3694 C CA . LEU A 1 259 ? -6.271 4.005 -15.402 1.00 10.03 ? 259 LEU A CA 1 ATOM 3695 C C . LEU A 1 259 ? -4.891 4.070 -16.053 1.00 8.94 ? 259 LEU A C 1 ATOM 3696 O O . LEU A 1 259 ? -4.298 3.042 -16.366 1.00 9.56 ? 259 LEU A O 1 ATOM 3697 C CB . LEU A 1 259 ? -6.099 3.719 -13.918 1.00 8.70 ? 259 LEU A CB 1 ATOM 3698 C CG . LEU A 1 259 ? -7.366 3.745 -13.073 1.00 8.94 ? 259 LEU A CG 1 ATOM 3699 C CD1 . LEU A 1 259 ? -7.037 3.386 -11.630 1.00 10.59 ? 259 LEU A CD1 1 ATOM 3700 C CD2 . LEU A 1 259 ? -8.043 5.114 -13.137 1.00 10.46 ? 259 LEU A CD2 1 ATOM 3701 H H . LEU A 1 259 ? -7.139 2.241 -15.604 1.00 13.39 ? 259 LEU A H 1 ATOM 3702 H HA . LEU A 1 259 ? -6.691 4.874 -15.496 1.00 12.04 ? 259 LEU A HA 1 ATOM 3703 H HB2 . LEU A 1 259 ? -5.706 2.837 -13.822 1.00 10.44 ? 259 LEU A HB2 1 ATOM 3704 H HB3 . LEU A 1 259 ? -5.493 4.382 -13.550 1.00 10.44 ? 259 LEU A HB3 1 ATOM 3705 H HG . LEU A 1 259 ? -7.989 3.084 -13.414 1.00 10.73 ? 259 LEU A HG 1 ATOM 3706 H HD11 . LEU A 1 259 ? -7.852 3.407 -11.106 1.00 12.71 ? 259 LEU A HD11 1 ATOM 3707 H HD12 . LEU A 1 259 ? -6.651 2.496 -11.607 1.00 12.71 ? 259 LEU A HD12 1 ATOM 3708 H HD13 . LEU A 1 259 ? -6.402 4.032 -11.282 1.00 12.71 ? 259 LEU A HD13 1 ATOM 3709 H HD21 . LEU A 1 259 ? -8.276 5.308 -14.058 1.00 12.56 ? 259 LEU A HD21 1 ATOM 3710 H HD22 . LEU A 1 259 ? -8.844 5.095 -12.589 1.00 12.56 ? 259 LEU A HD22 1 ATOM 3711 H HD23 . LEU A 1 259 ? -7.428 5.786 -12.802 1.00 12.56 ? 259 LEU A HD23 1 ATOM 3712 N N . PRO A 1 260 ? -4.356 5.282 -16.236 1.00 8.79 ? 260 PRO A N 1 ATOM 3713 C CA . PRO A 1 260 ? -2.976 5.430 -16.690 1.00 8.64 ? 260 PRO A CA 1 ATOM 3714 C C . PRO A 1 260 ? -1.989 5.094 -15.581 1.00 8.78 ? 260 PRO A C 1 ATOM 3715 O O . PRO A 1 260 ? -2.329 5.163 -14.399 1.00 8.08 ? 260 PRO A O 1 ATOM 3716 C CB . PRO A 1 260 ? -2.893 6.917 -17.070 1.00 10.03 ? 260 PRO A CB 1 ATOM 3717 C CG . PRO A 1 260 ? -3.907 7.585 -16.229 1.00 11.11 ? 260 PRO A CG 1 ATOM 3718 C CD . PRO A 1 260 ? -5.011 6.584 -16.021 1.00 9.91 ? 260 PRO A CD 1 ATOM 3719 H HA . PRO A 1 260 ? -2.804 4.877 -17.469 1.00 10.36 ? 260 PRO A HA 1 ATOM 3720 H HB2 . PRO A 1 260 ? -2.006 7.256 -16.873 1.00 12.03 ? 260 PRO A HB2 1 ATOM 3721 H HB3 . PRO A 1 260 ? -3.102 7.026 -18.011 1.00 12.03 ? 260 PRO A HB3 1 ATOM 3722 H HG2 . PRO A 1 260 ? -3.510 7.833 -15.379 1.00 13.33 ? 260 PRO A HG2 1 ATOM 3723 H HG3 . PRO A 1 260 ? -4.243 8.370 -16.689 1.00 13.33 ? 260 PRO A HG3 1 ATOM 3724 H HD2 . PRO A 1 260 ? -5.353 6.643 -15.116 1.00 11.90 ? 260 PRO A HD2 1 ATOM 3725 H HD3 . PRO A 1 260 ? -5.714 6.718 -16.676 1.00 11.90 ? 260 PRO A HD3 1 ATOM 3726 N N . SER A 1 261 ? -0.767 4.765 -15.966 1.00 8.30 ? 261 SER A N 1 ATOM 3727 C CA . SER A 1 261 ? 0.311 4.606 -15.003 1.00 7.99 ? 261 SER A CA 1 ATOM 3728 C C . SER A 1 261 ? 0.713 5.955 -14.381 1.00 8.51 ? 261 SER A C 1 ATOM 3729 O O . SER A 1 261 ? 0.309 7.027 -14.844 1.00 8.68 ? 261 SER A O 1 ATOM 3730 C CB . SER A 1 261 ? 1.528 3.964 -15.662 1.00 9.03 ? 261 SER A CB 1 ATOM 3731 O OG . SER A 1 261 ? 2.053 4.808 -16.660 1.00 9.90 ? 261 SER A OG 1 ATOM 3732 H H . SER A 1 261 ? -0.534 4.628 -16.782 1.00 9.96 ? 261 SER A H 1 ATOM 3733 H HA . SER A 1 261 ? 0.014 4.022 -14.288 1.00 9.59 ? 261 SER A HA 1 ATOM 3734 H HB2 . SER A 1 261 ? 2.208 3.808 -14.989 1.00 10.83 ? 261 SER A HB2 1 ATOM 3735 H HB3 . SER A 1 261 ? 1.262 3.123 -16.067 1.00 10.83 ? 261 SER A HB3 1 ATOM 3736 H HG . SER A 1 261 ? 1.472 4.952 -17.249 1.00 11.87 ? 261 SER A HG 1 ATOM 3737 N N . PHE A 1 262 ? 1.512 5.877 -13.324 1.00 7.88 ? 262 PHE A N 1 ATOM 3738 C CA . PHE A 1 262 ? 2.082 7.053 -12.689 1.00 7.47 ? 262 PHE A CA 1 ATOM 3739 C C . PHE A 1 262 ? 3.544 6.755 -12.418 1.00 8.02 ? 262 PHE A C 1 ATOM 3740 O O . PHE A 1 262 ? 3.861 5.728 -11.825 1.00 8.38 ? 262 PHE A O 1 ATOM 3741 C CB . PHE A 1 262 ? 1.372 7.372 -11.377 1.00 7.82 ? 262 PHE A CB 1 ATOM 3742 C CG . PHE A 1 262 ? 1.866 8.641 -10.708 1.00 7.50 ? 262 PHE A CG 1 ATOM 3743 C CD1 . PHE A 1 262 ? 1.313 9.870 -11.024 1.00 9.15 ? 262 PHE A CD1 1 ATOM 3744 C CD2 . PHE A 1 262 ? 2.892 8.604 -9.780 1.00 7.38 ? 262 PHE A CD2 1 ATOM 3745 C CE1 . PHE A 1 262 ? 1.772 11.029 -10.430 1.00 9.68 ? 262 PHE A CE1 1 ATOM 3746 C CE2 . PHE A 1 262 ? 3.353 9.746 -9.193 1.00 8.87 ? 262 PHE A CE2 1 ATOM 3747 C CZ . PHE A 1 262 ? 2.792 10.966 -9.507 1.00 9.08 ? 262 PHE A CZ 1 ATOM 3748 H H . PHE A 1 262 ? 1.742 5.138 -12.950 1.00 9.45 ? 262 PHE A H 1 ATOM 3749 H HA . PHE A 1 262 ? 2.017 7.818 -13.281 1.00 8.97 ? 262 PHE A HA 1 ATOM 3750 H HB2 . PHE A 1 262 ? 0.424 7.479 -11.552 1.00 9.38 ? 262 PHE A HB2 1 ATOM 3751 H HB3 . PHE A 1 262 ? 1.512 6.638 -10.759 1.00 9.38 ? 262 PHE A HB3 1 ATOM 3752 H HD1 . PHE A 1 262 ? 0.625 9.916 -11.648 1.00 10.98 ? 262 PHE A HD1 1 ATOM 3753 H HD2 . PHE A 1 262 ? 3.281 7.788 -9.560 1.00 8.86 ? 262 PHE A HD2 1 ATOM 3754 H HE1 . PHE A 1 262 ? 1.389 11.849 -10.647 1.00 11.61 ? 262 PHE A HE1 1 ATOM 3755 H HE2 . PHE A 1 262 ? 4.040 9.700 -8.568 1.00 10.64 ? 262 PHE A HE2 1 ATOM 3756 H HZ . PHE A 1 262 ? 3.104 11.742 -9.100 1.00 10.90 ? 262 PHE A HZ 1 ATOM 3757 N N . THR A 1 263 ? 4.428 7.639 -12.860 1.00 8.30 ? 263 THR A N 1 ATOM 3758 C CA . THR A 1 263 ? 5.865 7.450 -12.692 1.00 8.57 ? 263 THR A CA 1 ATOM 3759 C C . THR A 1 263 ? 6.375 8.449 -11.661 1.00 8.23 ? 263 THR A C 1 ATOM 3760 O O . THR A 1 263 ? 6.012 9.627 -11.728 1.00 9.24 ? 263 THR A O 1 ATOM 3761 C CB . THR A 1 263 ? 6.601 7.714 -14.023 1.00 10.12 ? 263 THR A CB 1 ATOM 3762 O OG1 . THR A 1 263 ? 6.134 6.801 -15.017 1.00 10.64 ? 263 THR A OG1 1 ATOM 3763 C CG2 . THR A 1 263 ? 8.098 7.553 -13.880 1.00 10.97 ? 263 THR A CG2 1 ATOM 3764 H H . THR A 1 263 ? 4.219 8.367 -13.266 1.00 9.96 ? 263 THR A H 1 ATOM 3765 H HA . THR A 1 263 ? 6.056 6.548 -12.391 1.00 10.28 ? 263 THR A HA 1 ATOM 3766 H HB . THR A 1 263 ? 6.420 8.622 -14.313 1.00 12.15 ? 263 THR A HB 1 ATOM 3767 H HG1 . THR A 1 263 ? 6.281 6.011 -14.772 1.00 12.77 ? 263 THR A HG1 1 ATOM 3768 H HG21 . THR A 1 263 ? 8.532 7.725 -14.730 1.00 13.16 ? 263 THR A HG21 1 ATOM 3769 H HG22 . THR A 1 263 ? 8.437 8.179 -13.221 1.00 13.16 ? 263 THR A HG22 1 ATOM 3770 H HG23 . THR A 1 263 ? 8.308 6.650 -13.595 1.00 13.16 ? 263 THR A HG23 1 ATOM 3771 N N . PHE A 1 264 ? 7.216 8.002 -10.726 1.00 8.82 ? 264 PHE A N 1 ATOM 3772 C CA . PHE A 1 264 ? 7.922 8.929 -9.835 1.00 8.60 ? 264 PHE A CA 1 ATOM 3773 C C . PHE A 1 264 ? 9.431 8.799 -9.998 1.00 8.45 ? 264 PHE A C 1 ATOM 3774 O O . PHE A 1 264 ? 9.953 7.732 -10.309 1.00 8.98 ? 264 PHE A O 1 ATOM 3775 C CB . PHE A 1 264 ? 7.465 8.845 -8.365 1.00 8.53 ? 264 PHE A CB 1 ATOM 3776 C CG . PHE A 1 264 ? 7.729 7.528 -7.676 1.00 8.93 ? 264 PHE A CG 1 ATOM 3777 C CD1 . PHE A 1 264 ? 6.804 6.498 -7.710 1.00 9.13 ? 264 PHE A CD1 1 ATOM 3778 C CD2 . PHE A 1 264 ? 8.891 7.344 -6.943 1.00 9.11 ? 264 PHE A CD2 1 ATOM 3779 C CE1 . PHE A 1 264 ? 7.039 5.309 -7.032 1.00 9.30 ? 264 PHE A CE1 1 ATOM 3780 C CE2 . PHE A 1 264 ? 9.128 6.165 -6.270 1.00 9.39 ? 264 PHE A CE2 1 ATOM 3781 C CZ . PHE A 1 264 ? 8.207 5.149 -6.322 1.00 9.52 ? 264 PHE A CZ 1 ATOM 3782 H H . PHE A 1 264 ? 7.396 7.172 -10.587 1.00 10.59 ? 264 PHE A H 1 ATOM 3783 H HA . PHE A 1 264 ? 7.699 9.826 -10.129 1.00 10.32 ? 264 PHE A HA 1 ATOM 3784 H HB2 . PHE A 1 264 ? 7.926 9.534 -7.861 1.00 10.23 ? 264 PHE A HB2 1 ATOM 3785 H HB3 . PHE A 1 264 ? 6.509 9.005 -8.332 1.00 10.23 ? 264 PHE A HB3 1 ATOM 3786 H HD1 . PHE A 1 264 ? 6.012 6.607 -8.185 1.00 10.95 ? 264 PHE A HD1 1 ATOM 3787 H HD2 . PHE A 1 264 ? 9.517 8.031 -6.898 1.00 10.93 ? 264 PHE A HD2 1 ATOM 3788 H HE1 . PHE A 1 264 ? 6.417 4.618 -7.070 1.00 11.16 ? 264 PHE A HE1 1 ATOM 3789 H HE2 . PHE A 1 264 ? 9.917 6.054 -5.791 1.00 11.26 ? 264 PHE A HE2 1 ATOM 3790 H HZ . PHE A 1 264 ? 8.373 4.349 -5.876 1.00 11.43 ? 264 PHE A HZ 1 ATOM 3791 N N . GLY A 1 265 ? 10.120 9.914 -9.814 1.00 8.76 ? 265 GLY A N 1 ATOM 3792 C CA . GLY A 1 265 ? 11.561 9.938 -9.953 1.00 8.90 ? 265 GLY A CA 1 ATOM 3793 C C . GLY A 1 265 ? 12.296 9.647 -8.666 1.00 8.67 ? 265 GLY A C 1 ATOM 3794 O O . GLY A 1 265 ? 11.902 10.087 -7.582 1.00 8.87 ? 265 GLY A O 1 ATOM 3795 H H . GLY A 1 265 ? 9.773 10.674 -9.607 1.00 10.51 ? 265 GLY A H 1 ATOM 3796 H HA2 . GLY A 1 265 ? 11.829 9.278 -10.612 1.00 10.69 ? 265 GLY A HA2 1 ATOM 3797 H HA3 . GLY A 1 265 ? 11.838 10.812 -10.269 1.00 10.69 ? 265 GLY A HA3 1 ATOM 3798 N N . VAL A 1 266 ? 13.387 8.896 -8.806 1.00 8.45 ? 266 VAL A N 1 ATOM 3799 C CA . VAL A 1 266 ? 14.346 8.661 -7.730 1.00 8.90 ? 266 VAL A CA 1 ATOM 3800 C C . VAL A 1 266 ? 15.697 9.003 -8.346 1.00 9.34 ? 266 VAL A C 1 ATOM 3801 O O . VAL A 1 266 ? 16.214 8.240 -9.151 1.00 10.39 ? 266 VAL A O 1 ATOM 3802 C CB . VAL A 1 266 ? 14.329 7.204 -7.229 1.00 9.56 ? 266 VAL A CB 1 ATOM 3803 C CG1 . VAL A 1 266 ? 15.291 7.064 -6.051 1.00 9.93 ? 266 VAL A CG1 1 ATOM 3804 C CG2 . VAL A 1 266 ? 12.925 6.780 -6.830 1.00 9.39 ? 266 VAL A CG2 1 ATOM 3805 H H . VAL A 1 266 ? 13.599 8.501 -9.540 1.00 10.14 ? 266 VAL A H 1 ATOM 3806 H HA . VAL A 1 266 ? 14.171 9.259 -6.986 1.00 10.68 ? 266 VAL A HA 1 ATOM 3807 H HB . VAL A 1 266 ? 14.633 6.618 -7.940 1.00 11.47 ? 266 VAL A HB 1 ATOM 3808 H HG11 . VAL A 1 266 ? 15.702 7.925 -5.876 1.00 11.91 ? 266 VAL A HG11 1 ATOM 3809 H HG12 . VAL A 1 266 ? 14.794 6.770 -5.271 1.00 11.91 ? 266 VAL A HG12 1 ATOM 3810 H HG13 . VAL A 1 266 ? 15.972 6.412 -6.275 1.00 11.91 ? 266 VAL A HG13 1 ATOM 3811 H HG21 . VAL A 1 266 ? 12.949 5.861 -6.520 1.00 11.27 ? 266 VAL A HG21 1 ATOM 3812 H HG22 . VAL A 1 266 ? 12.610 7.361 -6.120 1.00 11.27 ? 266 VAL A HG22 1 ATOM 3813 H HG23 . VAL A 1 266 ? 12.342 6.854 -7.602 1.00 11.27 ? 266 VAL A HG23 1 ATOM 3814 N N . GLY A 1 267 ? 16.235 10.178 -8.018 1.00 10.24 ? 267 GLY A N 1 ATOM 3815 C CA . GLY A 1 267 ? 17.389 10.680 -8.738 1.00 11.56 ? 267 GLY A CA 1 ATOM 3816 C C . GLY A 1 267 ? 17.078 10.689 -10.228 1.00 11.72 ? 267 GLY A C 1 ATOM 3817 O O . GLY A 1 267 ? 16.007 11.127 -10.639 1.00 11.82 ? 267 GLY A O 1 ATOM 3818 H H . GLY A 1 267 ? 15.951 10.693 -7.390 1.00 12.29 ? 267 GLY A H 1 ATOM 3819 H HA2 . GLY A 1 267 ? 17.595 11.583 -8.451 1.00 13.87 ? 267 GLY A HA2 1 ATOM 3820 H HA3 . GLY A 1 267 ? 18.157 10.110 -8.577 1.00 13.87 ? 267 GLY A HA3 1 ATOM 3821 N N . SER A 1 268 ? 17.986 10.156 -11.036 1.00 13.44 ? 268 SER A N 1 ATOM 3822 C CA . SER A 1 268 ? 17.761 10.077 -12.478 1.00 14.95 ? 268 SER A CA 1 ATOM 3823 C C . SER A 1 268 ? 16.954 8.837 -12.879 1.00 13.97 ? 268 SER A C 1 ATOM 3824 O O . SER A 1 268 ? 16.633 8.657 -14.059 1.00 15.58 ? 268 SER A O 1 ATOM 3825 C CB . SER A 1 268 ? 19.094 10.100 -13.226 1.00 19.21 ? 268 SER A CB 1 ATOM 3826 O OG . SER A 1 268 ? 19.929 9.049 -12.800 1.00 22.41 ? 268 SER A OG 1 ATOM 3827 H H . SER A 1 268 ? 18.740 9.832 -10.778 1.00 16.13 ? 268 SER A H 1 ATOM 3828 H HA . SER A 1 268 ? 17.256 10.857 -12.754 1.00 17.94 ? 268 SER A HA 1 ATOM 3829 H HB2 . SER A 1 268 ? 18.924 10.002 -14.176 1.00 23.05 ? 268 SER A HB2 1 ATOM 3830 H HB3 . SER A 1 268 ? 19.538 10.945 -13.055 1.00 23.05 ? 268 SER A HB3 1 ATOM 3831 H HG . SER A 1 268 ? 20.657 9.073 -13.218 1.00 26.89 ? 268 SER A HG 1 ATOM 3832 N N . ALA A 1 269 ? 16.634 7.988 -11.905 1.00 11.45 ? 269 ALA A N 1 ATOM 3833 C CA . ALA A 1 269 ? 15.862 6.784 -12.161 1.00 11.44 ? 269 ALA A CA 1 ATOM 3834 C C . ALA A 1 269 ? 14.362 7.047 -12.072 1.00 10.28 ? 269 ALA A C 1 ATOM 3835 O O . ALA A 1 269 ? 13.920 8.071 -11.562 1.00 10.08 ? 269 ALA A O 1 ATOM 3836 C CB . ALA A 1 269 ? 16.268 5.674 -11.195 1.00 13.24 ? 269 ALA A CB 1 ATOM 3837 H H . ALA A 1 269 ? 16.857 8.091 -11.080 1.00 13.74 ? 269 ALA A H 1 ATOM 3838 H HA . ALA A 1 269 ? 16.055 6.477 -13.061 1.00 13.73 ? 269 ALA A HA 1 ATOM 3839 H HB1 . ALA A 1 269 ? 16.103 5.971 -10.287 1.00 15.88 ? 269 ALA A HB1 1 ATOM 3840 H HB2 . ALA A 1 269 ? 15.740 4.882 -11.385 1.00 15.88 ? 269 ALA A HB2 1 ATOM 3841 H HB3 . ALA A 1 269 ? 17.210 5.480 -11.315 1.00 15.88 ? 269 ALA A HB3 1 ATOM 3842 N N . ARG A 1 270 ? 13.594 6.081 -12.551 1.00 9.92 ? 270 ARG A N 1 ATOM 3843 C CA . ARG A 1 270 ? 12.147 6.215 -12.640 1.00 10.07 ? 270 ARG A CA 1 ATOM 3844 C C . ARG A 1 270 ? 11.490 4.921 -12.163 1.00 10.51 ? 270 ARG A C 1 ATOM 3845 O O . ARG A 1 270 ? 11.900 3.831 -12.570 1.00 12.96 ? 270 ARG A O 1 ATOM 3846 C CB . ARG A 1 270 ? 11.750 6.509 -14.091 1.00 11.39 ? 270 ARG A CB 1 ATOM 3847 C CG . ARG A 1 270 ? 12.455 7.693 -14.738 1.00 12.63 ? 270 ARG A CG 1 ATOM 3848 C CD . ARG A 1 270 ? 11.992 9.006 -14.150 1.00 13.59 ? 270 ARG A CD 1 ATOM 3849 N NE . ARG A 1 270 ? 12.672 10.157 -14.755 1.00 13.70 ? 270 ARG A NE 1 ATOM 3850 C CZ . ARG A 1 270 ? 13.612 10.897 -14.167 1.00 14.44 ? 270 ARG A CZ 1 ATOM 3851 N NH1 . ARG A 1 270 ? 14.010 10.644 -12.930 1.00 14.90 ? 270 ARG A NH1 1 ATOM 3852 N NH2 . ARG A 1 270 ? 14.136 11.926 -14.824 1.00 15.26 ? 270 ARG A NH2 1 ATOM 3853 H H . ARG A 1 270 ? 13.890 5.326 -12.836 1.00 11.91 ? 270 ARG A H 1 ATOM 3854 H HA . ARG A 1 270 ? 11.847 6.946 -12.078 1.00 12.09 ? 270 ARG A HA 1 ATOM 3855 H HB2 . ARG A 1 270 ? 11.947 5.725 -14.628 1.00 13.67 ? 270 ARG A HB2 1 ATOM 3856 H HB3 . ARG A 1 270 ? 10.797 6.688 -14.118 1.00 13.67 ? 270 ARG A HB3 1 ATOM 3857 H HG2 . ARG A 1 270 ? 13.411 7.614 -14.592 1.00 15.15 ? 270 ARG A HG2 1 ATOM 3858 H HG3 . ARG A 1 270 ? 12.260 7.700 -15.689 1.00 15.15 ? 270 ARG A HG3 1 ATOM 3859 H HD2 . ARG A 1 270 ? 11.039 9.104 -14.303 1.00 16.30 ? 270 ARG A HD2 1 ATOM 3860 H HD3 . ARG A 1 270 ? 12.180 9.011 -13.198 1.00 16.30 ? 270 ARG A HD3 1 ATOM 3861 H HE . ARG A 1 270 ? 12.445 10.372 -15.557 1.00 16.44 ? 270 ARG A HE 1 ATOM 3862 H HH11 . ARG A 1 270 ? 13.671 9.983 -12.496 1.00 17.87 ? 270 ARG A HH11 1 ATOM 3863 H HH12 . ARG A 1 270 ? 14.616 11.133 -12.564 1.00 17.87 ? 270 ARG A HH12 1 ATOM 3864 H HH21 . ARG A 1 270 ? 13.882 12.099 -15.627 1.00 18.32 ? 270 ARG A HH21 1 ATOM 3865 H HH22 . ARG A 1 270 ? 14.744 12.409 -14.453 1.00 18.32 ? 270 ARG A HH22 1 ATOM 3866 N N . ILE A 1 271 ? 10.485 5.042 -11.295 1.00 8.57 ? 271 ILE A N 1 ATOM 3867 C CA . ILE A 1 271 ? 9.659 3.911 -10.869 1.00 7.91 ? 271 ILE A CA 1 ATOM 3868 C C . ILE A 1 271 ? 8.267 4.104 -11.455 1.00 8.02 ? 271 ILE A C 1 ATOM 3869 O O . ILE A 1 271 ? 7.652 5.158 -11.273 1.00 8.86 ? 271 ILE A O 1 ATOM 3870 C CB . ILE A 1 271 ? 9.575 3.810 -9.328 1.00 9.01 ? 271 ILE A CB 1 ATOM 3871 C CG1 . ILE A 1 271 ? 10.971 3.609 -8.712 1.00 9.58 ? 271 ILE A CG1 1 ATOM 3872 C CG2 . ILE A 1 271 ? 8.620 2.685 -8.919 1.00 9.12 ? 271 ILE A CG2 1 ATOM 3873 C CD1 . ILE A 1 271 ? 11.651 2.321 -9.107 1.00 11.48 ? 271 ILE A CD1 1 ATOM 3874 H H . ILE A 1 271 ? 10.258 5.787 -10.930 1.00 10.29 ? 271 ILE A H 1 ATOM 3875 H HA . ILE A 1 271 ? 10.031 3.085 -11.216 1.00 9.49 ? 271 ILE A HA 1 ATOM 3876 H HB . ILE A 1 271 ? 9.216 4.646 -8.991 1.00 10.81 ? 271 ILE A HB 1 ATOM 3877 H HG12 . ILE A 1 271 ? 11.542 4.341 -8.993 1.00 11.50 ? 271 ILE A HG12 1 ATOM 3878 H HG13 . ILE A 1 271 ? 10.887 3.613 -7.746 1.00 11.50 ? 271 ILE A HG13 1 ATOM 3879 H HG21 . ILE A 1 271 ? 7.738 2.874 -9.276 1.00 10.95 ? 271 ILE A HG21 1 ATOM 3880 H HG22 . ILE A 1 271 ? 8.949 1.846 -9.278 1.00 10.95 ? 271 ILE A HG22 1 ATOM 3881 H HG23 . ILE A 1 271 ? 8.582 2.639 -7.951 1.00 10.95 ? 271 ILE A HG23 1 ATOM 3882 H HD11 . ILE A 1 271 ? 12.519 2.278 -8.676 1.00 13.78 ? 271 ILE A HD11 1 ATOM 3883 H HD12 . ILE A 1 271 ? 11.102 1.574 -8.821 1.00 13.78 ? 271 ILE A HD12 1 ATOM 3884 H HD13 . ILE A 1 271 ? 11.758 2.304 -10.071 1.00 13.78 ? 271 ILE A HD13 1 ATOM 3885 N N . VAL A 1 272 ? 7.798 3.099 -12.182 1.00 8.64 ? 272 VAL A N 1 ATOM 3886 C CA . VAL A 1 272 ? 6.485 3.148 -12.817 1.00 8.74 ? 272 VAL A CA 1 ATOM 3887 C C . VAL A 1 272 ? 5.453 2.347 -12.027 1.00 8.42 ? 272 VAL A C 1 ATOM 3888 O O . VAL A 1 272 ? 5.605 1.145 -11.816 1.00 9.69 ? 272 VAL A O 1 ATOM 3889 C CB . VAL A 1 272 ? 6.545 2.649 -14.274 1.00 9.81 ? 272 VAL A CB 1 ATOM 3890 C CG1 . VAL A 1 272 ? 5.156 2.731 -14.904 1.00 10.50 ? 272 VAL A CG1 1 ATOM 3891 C CG2 . VAL A 1 272 ? 7.568 3.445 -15.087 1.00 10.48 ? 272 VAL A CG2 1 ATOM 3892 H H . VAL A 1 272 ? 8.225 2.367 -12.326 1.00 10.37 ? 272 VAL A H 1 ATOM 3893 H HA . VAL A 1 272 ? 6.186 4.071 -12.836 1.00 10.49 ? 272 VAL A HA 1 ATOM 3894 H HB . VAL A 1 272 ? 6.820 1.719 -14.277 1.00 11.77 ? 272 VAL A HB 1 ATOM 3895 H HG11 . VAL A 1 272 ? 4.533 3.081 -14.249 1.00 12.60 ? 272 VAL A HG11 1 ATOM 3896 H HG12 . VAL A 1 272 ? 5.194 3.321 -15.674 1.00 12.60 ? 272 VAL A HG12 1 ATOM 3897 H HG13 . VAL A 1 272 ? 4.883 1.843 -15.181 1.00 12.60 ? 272 VAL A HG13 1 ATOM 3898 H HG21 . VAL A 1 272 ? 7.977 4.111 -14.513 1.00 12.57 ? 272 VAL A HG21 1 ATOM 3899 H HG22 . VAL A 1 272 ? 8.245 2.837 -15.423 1.00 12.57 ? 272 VAL A HG22 1 ATOM 3900 H HG23 . VAL A 1 272 ? 7.115 3.878 -15.827 1.00 12.57 ? 272 VAL A HG23 1 ATOM 3901 N N . ILE A 1 273 ? 4.420 3.041 -11.569 1.00 8.11 ? 273 ILE A N 1 ATOM 3902 C CA . ILE A 1 273 ? 3.279 2.411 -10.918 1.00 7.60 ? 273 ILE A CA 1 ATOM 3903 C C . ILE A 1 273 ? 2.225 2.113 -11.994 1.00 8.27 ? 273 ILE A C 1 ATOM 3904 O O . ILE A 1 273 ? 1.653 3.034 -12.566 1.00 8.69 ? 273 ILE A O 1 ATOM 3905 C CB . ILE A 1 273 ? 2.655 3.346 -9.850 1.00 7.26 ? 273 ILE A CB 1 ATOM 3906 C CG1 . ILE A 1 273 ? 3.696 3.816 -8.826 1.00 7.99 ? 273 ILE A CG1 1 ATOM 3907 C CG2 . ILE A 1 273 ? 1.450 2.676 -9.183 1.00 8.55 ? 273 ILE A CG2 1 ATOM 3908 C CD1 . ILE A 1 273 ? 3.164 4.922 -7.919 1.00 8.10 ? 273 ILE A CD1 1 ATOM 3909 H H . ILE A 1 273 ? 4.355 3.897 -11.624 1.00 9.73 ? 273 ILE A H 1 ATOM 3910 H HA . ILE A 1 273 ? 3.549 1.580 -10.497 1.00 9.12 ? 273 ILE A HA 1 ATOM 3911 H HB . ILE A 1 273 ? 2.329 4.134 -10.312 1.00 8.72 ? 273 ILE A HB 1 ATOM 3912 H HG12 . ILE A 1 273 ? 3.952 3.066 -8.267 1.00 9.58 ? 273 ILE A HG12 1 ATOM 3913 H HG13 . ILE A 1 273 ? 4.471 4.161 -9.297 1.00 9.58 ? 273 ILE A HG13 1 ATOM 3914 H HG21 . ILE A 1 273 ? 0.784 2.479 -9.861 1.00 10.26 ? 273 ILE A HG21 1 ATOM 3915 H HG22 . ILE A 1 273 ? 1.741 1.855 -8.756 1.00 10.26 ? 273 ILE A HG22 1 ATOM 3916 H HG23 . ILE A 1 273 ? 1.080 3.281 -8.521 1.00 10.26 ? 273 ILE A HG23 1 ATOM 3917 H HD11 . ILE A 1 273 ? 3.860 5.180 -7.295 1.00 9.72 ? 273 ILE A HD11 1 ATOM 3918 H HD12 . ILE A 1 273 ? 2.910 5.683 -8.465 1.00 9.72 ? 273 ILE A HD12 1 ATOM 3919 H HD13 . ILE A 1 273 ? 2.392 4.589 -7.436 1.00 9.72 ? 273 ILE A HD13 1 ATOM 3920 N N . PRO A 1 274 ? 1.955 0.832 -12.287 1.00 8.38 ? 274 PRO A N 1 ATOM 3921 C CA . PRO A 1 274 ? 0.923 0.529 -13.294 1.00 8.68 ? 274 PRO A CA 1 ATOM 3922 C C . PRO A 1 274 ? -0.447 1.058 -12.890 1.00 8.46 ? 274 PRO A C 1 ATOM 3923 O O . PRO A 1 274 ? -0.772 1.136 -11.701 1.00 8.20 ? 274 PRO A O 1 ATOM 3924 C CB . PRO A 1 274 ? 0.904 -1.004 -13.341 1.00 9.63 ? 274 PRO A CB 1 ATOM 3925 C CG . PRO A 1 274 ? 2.268 -1.407 -12.848 1.00 9.59 ? 274 PRO A CG 1 ATOM 3926 C CD . PRO A 1 274 ? 2.594 -0.392 -11.779 1.00 8.77 ? 274 PRO A CD 1 ATOM 3927 H HA . PRO A 1 274 ? 1.173 0.883 -14.163 1.00 10.41 ? 274 PRO A HA 1 ATOM 3928 H HB2 . PRO A 1 274 ? 0.210 -1.343 -12.754 1.00 11.56 ? 274 PRO A HB2 1 ATOM 3929 H HB3 . PRO A 1 274 ? 0.764 -1.304 -14.253 1.00 11.56 ? 274 PRO A HB3 1 ATOM 3930 H HG2 . PRO A 1 274 ? 2.232 -2.302 -12.475 1.00 11.51 ? 274 PRO A HG2 1 ATOM 3931 H HG3 . PRO A 1 274 ? 2.908 -1.361 -13.575 1.00 11.51 ? 274 PRO A HG3 1 ATOM 3932 H HD2 . PRO A 1 274 ? 2.202 -0.654 -10.931 1.00 10.52 ? 274 PRO A HD2 1 ATOM 3933 H HD3 . PRO A 1 274 ? 3.554 -0.270 -11.708 1.00 10.52 ? 274 PRO A HD3 1 ATOM 3934 N N . GLY A 1 275 ? -1.257 1.406 -13.878 1.00 8.43 ? 275 GLY A N 1 ATOM 3935 C CA . GLY A 1 275 ? -2.582 1.924 -13.603 1.00 8.72 ? 275 GLY A CA 1 ATOM 3936 C C . GLY A 1 275 ? -3.409 1.024 -12.704 1.00 8.93 ? 275 GLY A C 1 ATOM 3937 O O . GLY A 1 275 ? -4.130 1.527 -11.849 1.00 9.38 ? 275 GLY A O 1 ATOM 3938 H H . GLY A 1 275 ? -1.063 1.352 -14.714 1.00 10.12 ? 275 GLY A H 1 ATOM 3939 H HA2 . GLY A 1 275 ? -2.503 2.791 -13.175 1.00 10.46 ? 275 GLY A HA2 1 ATOM 3940 H HA3 . GLY A 1 275 ? -3.060 2.039 -14.439 1.00 10.46 ? 275 GLY A HA3 1 ATOM 3941 N N . ASP A 1 276 ? -3.324 -0.298 -12.860 1.00 8.77 ? 276 ASP A N 1 ATOM 3942 C CA A ASP A 1 276 ? -4.173 -1.159 -12.047 0.33 9.83 ? 276 ASP A CA 1 ATOM 3943 C CA B ASP A 1 276 ? -4.149 -1.171 -12.048 0.67 10.62 ? 276 ASP A CA 1 ATOM 3944 C C . ASP A 1 276 ? -3.837 -1.050 -10.557 1.00 9.12 ? 276 ASP A C 1 ATOM 3945 O O . ASP A 1 276 ? -4.696 -1.298 -9.720 1.00 10.19 ? 276 ASP A O 1 ATOM 3946 C CB A ASP A 1 276 ? -4.288 -2.611 -12.549 0.33 11.17 ? 276 ASP A CB 1 ATOM 3947 C CB B ASP A 1 276 ? -3.948 -2.640 -12.449 0.67 13.21 ? 276 ASP A CB 1 ATOM 3948 C CG A ASP A 1 276 ? -2.970 -3.314 -12.721 0.33 12.48 ? 276 ASP A CG 1 ATOM 3949 C CG B ASP A 1 276 ? -4.483 -2.976 -13.837 0.67 16.40 ? 276 ASP A CG 1 ATOM 3950 O OD1 A ASP A 1 276 ? -1.924 -2.835 -12.263 0.33 12.36 ? 276 ASP A OD1 1 ATOM 3951 O OD1 B ASP A 1 276 ? -5.353 -2.250 -14.367 0.67 17.81 ? 276 ASP A OD1 1 ATOM 3952 O OD2 A ASP A 1 276 ? -3.008 -4.407 -13.326 0.33 13.10 ? 276 ASP A OD2 1 ATOM 3953 O OD2 B ASP A 1 276 ? -4.027 -3.998 -14.389 0.67 18.86 ? 276 ASP A OD2 1 ATOM 3954 H H . ASP A 1 276 ? -2.807 -0.708 -13.412 1.00 10.52 ? 276 ASP A H 1 ATOM 3955 H HA . ASP A 1 276 ? -5.078 -0.869 -12.154 1.00 12.74 ? 276 ASP A HA 1 ATOM 3956 H HB2 A ASP A 1 276 ? -4.812 -3.120 -11.911 0.33 13.40 ? 276 ASP A HB2 1 ATOM 3957 H HB2 B ASP A 1 276 ? -2.998 -2.839 -12.441 0.67 15.85 ? 276 ASP A HB2 1 ATOM 3958 H HB3 A ASP A 1 276 ? -4.734 -2.607 -13.411 0.33 13.40 ? 276 ASP A HB3 1 ATOM 3959 H HB3 B ASP A 1 276 ? -4.408 -3.205 -11.808 0.67 15.85 ? 276 ASP A HB3 1 ATOM 3960 N N . TYR A 1 277 ? -2.617 -0.633 -10.219 1.00 8.37 ? 277 TYR A N 1 ATOM 3961 C CA . TYR A 1 277 ? -2.252 -0.481 -8.801 1.00 7.99 ? 277 TYR A CA 1 ATOM 3962 C C . TYR A 1 277 ? -3.010 0.684 -8.148 1.00 8.09 ? 277 TYR A C 1 ATOM 3963 O O . TYR A 1 277 ? -3.063 0.786 -6.922 1.00 9.00 ? 277 TYR A O 1 ATOM 3964 C CB . TYR A 1 277 ? -0.761 -0.188 -8.609 1.00 7.97 ? 277 TYR A CB 1 ATOM 3965 C CG . TYR A 1 277 ? 0.230 -1.304 -8.906 1.00 7.97 ? 277 TYR A CG 1 ATOM 3966 C CD1 . TYR A 1 277 ? -0.061 -2.330 -9.800 1.00 9.13 ? 277 TYR A CD1 1 ATOM 3967 C CD2 . TYR A 1 277 ? 1.483 -1.305 -8.310 1.00 9.26 ? 277 TYR A CD2 1 ATOM 3968 C CE1 . TYR A 1 277 ? 0.871 -3.321 -10.088 1.00 9.56 ? 277 TYR A CE1 1 ATOM 3969 C CE2 . TYR A 1 277 ? 2.419 -2.290 -8.579 1.00 9.67 ? 277 TYR A CE2 1 ATOM 3970 C CZ . TYR A 1 277 ? 2.111 -3.298 -9.474 1.00 9.95 ? 277 TYR A CZ 1 ATOM 3971 O OH . TYR A 1 277 ? 3.029 -4.282 -9.766 1.00 11.64 ? 277 TYR A OH 1 ATOM 3972 H H . TYR A 1 277 ? -1.991 -0.434 -10.775 1.00 10.04 ? 277 TYR A H 1 ATOM 3973 H HA . TYR A 1 277 ? -2.470 -1.297 -8.323 1.00 9.59 ? 277 TYR A HA 1 ATOM 3974 H HB2 . TYR A 1 277 ? -0.528 0.557 -9.184 1.00 9.56 ? 277 TYR A HB2 1 ATOM 3975 H HB3 . TYR A 1 277 ? -0.625 0.071 -7.684 1.00 9.56 ? 277 TYR A HB3 1 ATOM 3976 H HD1 . TYR A 1 277 ? -0.889 -2.345 -10.222 1.00 10.96 ? 277 TYR A HD1 1 ATOM 3977 H HD2 . TYR A 1 277 ? 1.700 -0.626 -7.714 1.00 11.11 ? 277 TYR A HD2 1 ATOM 3978 H HE1 . TYR A 1 277 ? 0.659 -4.000 -10.688 1.00 11.47 ? 277 TYR A HE1 1 ATOM 3979 H HE2 . TYR A 1 277 ? 3.253 -2.268 -8.168 1.00 11.60 ? 277 TYR A HE2 1 ATOM 3980 H HH . TYR A 1 277 ? 3.735 -4.155 -9.331 1.00 13.96 ? 277 TYR A HH 1 ATOM 3981 N N . ILE A 1 278 ? -3.571 1.564 -8.972 1.00 7.50 ? 278 ILE A N 1 ATOM 3982 C CA . ILE A 1 278 ? -4.215 2.790 -8.505 1.00 7.08 ? 278 ILE A CA 1 ATOM 3983 C C . ILE A 1 278 ? -5.733 2.590 -8.325 1.00 7.69 ? 278 ILE A C 1 ATOM 3984 O O . ILE A 1 278 ? -6.436 3.479 -7.866 1.00 8.45 ? 278 ILE A O 1 ATOM 3985 C CB . ILE A 1 278 ? -3.804 3.935 -9.474 1.00 7.46 ? 278 ILE A CB 1 ATOM 3986 C CG1 . ILE A 1 278 ? -2.270 4.102 -9.424 1.00 8.21 ? 278 ILE A CG1 1 ATOM 3987 C CG2 . ILE A 1 278 ? -4.482 5.276 -9.149 1.00 8.08 ? 278 ILE A CG2 1 ATOM 3988 C CD1 . ILE A 1 278 ? -1.686 4.837 -10.617 1.00 9.28 ? 278 ILE A CD1 1 ATOM 3989 H H . ILE A 1 278 ? -3.592 1.472 -9.827 1.00 9.00 ? 278 ILE A H 1 ATOM 3990 H HA . ILE A 1 278 ? -3.851 3.010 -7.633 1.00 8.49 ? 278 ILE A HA 1 ATOM 3991 H HB . ILE A 1 278 ? -4.055 3.677 -10.375 1.00 8.95 ? 278 ILE A HB 1 ATOM 3992 H HG12 . ILE A 1 278 ? -2.037 4.601 -8.626 1.00 9.85 ? 278 ILE A HG12 1 ATOM 3993 H HG13 . ILE A 1 278 ? -1.863 3.222 -9.391 1.00 9.85 ? 278 ILE A HG13 1 ATOM 3994 H HG21 . ILE A 1 278 ? -4.184 5.943 -9.787 1.00 9.70 ? 278 ILE A HG21 1 ATOM 3995 H HG22 . ILE A 1 278 ? -5.443 5.166 -9.209 1.00 9.70 ? 278 ILE A HG22 1 ATOM 3996 H HG23 . ILE A 1 278 ? -4.234 5.544 -8.250 1.00 9.70 ? 278 ILE A HG23 1 ATOM 3997 H HD11 . ILE A 1 278 ? -1.897 4.345 -11.425 1.00 11.13 ? 278 ILE A HD11 1 ATOM 3998 H HD12 . ILE A 1 278 ? -2.072 5.726 -10.659 1.00 11.13 ? 278 ILE A HD12 1 ATOM 3999 H HD13 . ILE A 1 278 ? -0.724 4.899 -10.508 1.00 11.13 ? 278 ILE A HD13 1 ATOM 4000 N N . ASP A 1 279 ? -6.227 1.399 -8.661 1.00 8.06 ? 279 ASP A N 1 ATOM 4001 C CA . ASP A 1 279 ? -7.652 1.075 -8.520 1.00 8.69 ? 279 ASP A CA 1 ATOM 4002 C C . ASP A 1 279 ? -7.935 0.452 -7.149 1.00 9.33 ? 279 ASP A C 1 ATOM 4003 O O . ASP A 1 279 ? -7.457 -0.650 -6.845 1.00 10.82 ? 279 ASP A O 1 ATOM 4004 C CB . ASP A 1 279 ? -8.041 0.103 -9.639 1.00 10.37 ? 279 ASP A CB 1 ATOM 4005 C CG . ASP A 1 279 ? -9.464 -0.369 -9.548 1.00 11.77 ? 279 ASP A CG 1 ATOM 4006 O OD1 . ASP A 1 279 ? -10.298 0.250 -8.870 1.00 11.04 ? 279 ASP A OD1 1 ATOM 4007 O OD2 . ASP A 1 279 ? -9.757 -1.394 -10.184 1.00 15.95 ? 279 ASP A OD2 1 ATOM 4008 H H . ASP A 1 279 ? -5.755 0.753 -8.976 1.00 9.67 ? 279 ASP A H 1 ATOM 4009 H HA . ASP A 1 279 ? -8.182 1.882 -8.611 1.00 10.43 ? 279 ASP A HA 1 ATOM 4010 H HB2 . ASP A 1 279 ? -7.929 0.548 -10.494 1.00 12.45 ? 279 ASP A HB2 1 ATOM 4011 H HB3 . ASP A 1 279 ? -7.465 -0.676 -9.594 1.00 12.45 ? 279 ASP A HB3 1 ATOM 4012 N N . PHE A 1 280 ? -8.723 1.143 -6.329 1.00 8.10 ? 280 PHE A N 1 ATOM 4013 C CA . PHE A 1 280 ? -9.133 0.610 -5.032 1.00 8.43 ? 280 PHE A CA 1 ATOM 4014 C C . PHE A 1 280 ? -10.593 0.210 -4.979 1.00 9.25 ? 280 PHE A C 1 ATOM 4015 O O . PHE A 1 280 ? -11.138 -0.032 -3.907 1.00 10.41 ? 280 PHE A O 1 ATOM 4016 C CB . PHE A 1 280 ? -8.672 1.516 -3.893 1.00 9.22 ? 280 PHE A CB 1 ATOM 4017 C CG . PHE A 1 280 ? -7.240 1.274 -3.568 1.00 8.83 ? 280 PHE A CG 1 ATOM 4018 C CD1 . PHE A 1 280 ? -6.246 1.730 -4.420 1.00 8.97 ? 280 PHE A CD1 1 ATOM 4019 C CD2 . PHE A 1 280 ? -6.886 0.456 -2.503 1.00 10.24 ? 280 PHE A CD2 1 ATOM 4020 C CE1 . PHE A 1 280 ? -4.927 1.427 -4.190 1.00 10.14 ? 280 PHE A CE1 1 ATOM 4021 C CE2 . PHE A 1 280 ? -5.572 0.156 -2.263 1.00 10.76 ? 280 PHE A CE2 1 ATOM 4022 C CZ . PHE A 1 280 ? -4.585 0.639 -3.112 1.00 10.91 ? 280 PHE A CZ 1 ATOM 4023 H H . PHE A 1 280 ? -9.035 1.926 -6.501 1.00 9.72 ? 280 PHE A H 1 ATOM 4024 H HA . PHE A 1 280 ? -8.641 -0.218 -4.912 1.00 10.11 ? 280 PHE A HA 1 ATOM 4025 H HB2 . PHE A 1 280 ? -8.773 2.444 -4.158 1.00 11.07 ? 280 PHE A HB2 1 ATOM 4026 H HB3 . PHE A 1 280 ? -9.201 1.332 -3.100 1.00 11.07 ? 280 PHE A HB3 1 ATOM 4027 H HD1 . PHE A 1 280 ? -6.476 2.249 -5.157 1.00 10.77 ? 280 PHE A HD1 1 ATOM 4028 H HD2 . PHE A 1 280 ? -7.546 0.119 -1.941 1.00 12.29 ? 280 PHE A HD2 1 ATOM 4029 H HE1 . PHE A 1 280 ? -4.266 1.762 -4.752 1.00 12.17 ? 280 PHE A HE1 1 ATOM 4030 H HE2 . PHE A 1 280 ? -5.341 -0.370 -1.532 1.00 12.91 ? 280 PHE A HE2 1 ATOM 4031 H HZ . PHE A 1 280 ? -3.691 0.453 -2.937 1.00 13.09 ? 280 PHE A HZ 1 ATOM 4032 N N . GLY A 1 281 ? -11.185 0.055 -6.157 1.00 9.55 ? 281 GLY A N 1 ATOM 4033 C CA . GLY A 1 281 ? -12.468 -0.617 -6.256 1.00 9.51 ? 281 GLY A CA 1 ATOM 4034 C C . GLY A 1 281 ? -13.657 0.224 -5.848 1.00 8.34 ? 281 GLY A C 1 ATOM 4035 O O . GLY A 1 281 ? -13.530 1.393 -5.486 1.00 7.94 ? 281 GLY A O 1 ATOM 4036 H H . GLY A 1 281 ? -10.866 0.327 -6.908 1.00 11.46 ? 281 GLY A H 1 ATOM 4037 H HA2 . GLY A 1 281 ? -12.604 -0.903 -7.173 1.00 11.42 ? 281 GLY A HA2 1 ATOM 4038 H HA3 . GLY A 1 281 ? -12.454 -1.407 -5.693 1.00 11.42 ? 281 GLY A HA3 1 ATOM 4039 N N . PRO A 1 282 ? -14.840 -0.376 -5.917 1.00 8.60 ? 282 PRO A N 1 ATOM 4040 C CA . PRO A 1 282 ? -16.069 0.366 -5.628 1.00 9.12 ? 282 PRO A CA 1 ATOM 4041 C C . PRO A 1 282 ? -16.059 1.022 -4.250 1.00 9.55 ? 282 PRO A C 1 ATOM 4042 O O . PRO A 1 282 ? -15.599 0.428 -3.275 1.00 10.67 ? 282 PRO A O 1 ATOM 4043 C CB . PRO A 1 282 ? -17.148 -0.715 -5.729 1.00 9.80 ? 282 PRO A CB 1 ATOM 4044 C CG . PRO A 1 282 ? -16.587 -1.653 -6.750 1.00 10.61 ? 282 PRO A CG 1 ATOM 4045 C CD . PRO A 1 282 ? -15.117 -1.723 -6.437 1.00 9.51 ? 282 PRO A CD 1 ATOM 4046 H HA . PRO A 1 282 ? -16.225 1.042 -6.307 1.00 10.95 ? 282 PRO A HA 1 ATOM 4047 H HB2 . PRO A 1 282 ? -17.259 -1.157 -4.872 1.00 11.76 ? 282 PRO A HB2 1 ATOM 4048 H HB3 . PRO A 1 282 ? -17.983 -0.326 -6.033 1.00 11.76 ? 282 PRO A HB3 1 ATOM 4049 H HG2 . PRO A 1 282 ? -17.001 -2.526 -6.656 1.00 12.73 ? 282 PRO A HG2 1 ATOM 4050 H HG3 . PRO A 1 282 ? -16.733 -1.295 -7.640 1.00 12.73 ? 282 PRO A HG3 1 ATOM 4051 H HD2 . PRO A 1 282 ? -14.945 -2.393 -5.757 1.00 11.42 ? 282 PRO A HD2 1 ATOM 4052 H HD3 . PRO A 1 282 ? -14.604 -1.889 -7.243 1.00 11.42 ? 282 PRO A HD3 1 ATOM 4053 N N . ILE A 1 283 ? -16.594 2.237 -4.169 1.00 9.06 ? 283 ILE A N 1 ATOM 4054 C CA . ILE A 1 283 ? -16.616 2.968 -2.902 1.00 10.57 ? 283 ILE A CA 1 ATOM 4055 C C . ILE A 1 283 ? -17.517 2.291 -1.867 1.00 12.14 ? 283 ILE A C 1 ATOM 4056 O O . ILE A 1 283 ? -17.285 2.414 -0.672 1.00 14.47 ? 283 ILE A O 1 ATOM 4057 C CB . ILE A 1 283 ? -17.018 4.452 -3.100 1.00 11.45 ? 283 ILE A CB 1 ATOM 4058 C CG1 . ILE A 1 283 ? -18.427 4.567 -3.708 1.00 12.16 ? 283 ILE A CG1 1 ATOM 4059 C CG2 . ILE A 1 283 ? -15.970 5.173 -3.950 1.00 13.20 ? 283 ILE A CG2 1 ATOM 4060 C CD1 . ILE A 1 283 ? -18.956 5.981 -3.730 1.00 14.79 ? 283 ILE A CD1 1 ATOM 4061 H H . ILE A 1 283 ? -16.949 2.660 -4.828 1.00 10.88 ? 283 ILE A H 1 ATOM 4062 H HA . ILE A 1 283 ? -15.716 2.964 -2.539 1.00 12.68 ? 283 ILE A HA 1 ATOM 4063 H HB . ILE A 1 283 ? -17.036 4.875 -2.227 1.00 13.75 ? 283 ILE A HB 1 ATOM 4064 H HG12 . ILE A 1 283 ? -18.402 4.243 -4.622 1.00 14.59 ? 283 ILE A HG12 1 ATOM 4065 H HG13 . ILE A 1 283 ? -19.041 4.028 -3.184 1.00 14.59 ? 283 ILE A HG13 1 ATOM 4066 H HG21 . ILE A 1 283 ? -15.911 4.737 -4.814 1.00 15.85 ? 283 ILE A HG21 1 ATOM 4067 H HG22 . ILE A 1 283 ? -16.237 6.098 -4.063 1.00 15.85 ? 283 ILE A HG22 1 ATOM 4068 H HG23 . ILE A 1 283 ? -15.113 5.129 -3.497 1.00 15.85 ? 283 ILE A HG23 1 ATOM 4069 H HD11 . ILE A 1 283 ? -18.998 6.317 -2.821 1.00 17.75 ? 283 ILE A HD11 1 ATOM 4070 H HD12 . ILE A 1 283 ? -18.359 6.533 -4.260 1.00 17.75 ? 283 ILE A HD12 1 ATOM 4071 H HD13 . ILE A 1 283 ? -19.843 5.980 -4.124 1.00 17.75 ? 283 ILE A HD13 1 ATOM 4072 N N . SER A 1 284 ? -18.518 1.568 -2.349 1.00 11.39 ? 284 SER A N 1 ATOM 4073 C CA . SER A 1 284 ? -19.396 0.742 -1.534 1.00 12.51 ? 284 SER A CA 1 ATOM 4074 C C . SER A 1 284 ? -19.762 -0.433 -2.416 1.00 12.01 ? 284 SER A C 1 ATOM 4075 O O . SER A 1 284 ? -19.690 -0.332 -3.646 1.00 11.30 ? 284 SER A O 1 ATOM 4076 C CB . SER A 1 284 ? -20.659 1.497 -1.122 1.00 14.18 ? 284 SER A CB 1 ATOM 4077 O OG . SER A 1 284 ? -20.362 2.546 -0.228 1.00 17.14 ? 284 SER A OG 1 ATOM 4078 H H . SER A 1 284 ? -18.715 1.539 -3.186 1.00 13.67 ? 284 SER A H 1 ATOM 4079 H HA . SER A 1 284 ? -18.931 0.424 -0.744 1.00 15.01 ? 284 SER A HA 1 ATOM 4080 H HB2 . SER A 1 284 ? -21.075 1.869 -1.915 1.00 17.01 ? 284 SER A HB2 1 ATOM 4081 H HB3 . SER A 1 284 ? -21.267 0.878 -0.689 1.00 17.01 ? 284 SER A HB3 1 ATOM 4082 H HG . SER A 1 284 ? -20.001 2.238 0.466 1.00 20.56 ? 284 SER A HG 1 ATOM 4083 N N . THR A 1 285 ? -20.158 -1.544 -1.814 1.00 14.01 ? 285 THR A N 1 ATOM 4084 C CA . THR A 1 285 ? -20.458 -2.743 -2.585 1.00 15.33 ? 285 THR A CA 1 ATOM 4085 C C . THR A 1 285 ? -21.473 -2.467 -3.694 1.00 13.17 ? 285 THR A C 1 ATOM 4086 O O . THR A 1 285 ? -22.539 -1.914 -3.453 1.00 11.96 ? 285 THR A O 1 ATOM 4087 C CB . THR A 1 285 ? -20.998 -3.838 -1.683 1.00 18.92 ? 285 THR A CB 1 ATOM 4088 O OG1 . THR A 1 285 ? -20.035 -4.097 -0.658 1.00 21.92 ? 285 THR A OG1 1 ATOM 4089 C CG2 . THR A 1 285 ? -21.255 -5.096 -2.482 1.00 19.42 ? 285 THR A CG2 1 ATOM 4090 H H . THR A 1 285 ? -20.261 -1.631 -0.965 1.00 16.81 ? 285 THR A H 1 ATOM 4091 H HA . THR A 1 285 ? -19.642 -3.067 -2.997 1.00 18.39 ? 285 THR A HA 1 ATOM 4092 H HB . THR A 1 285 ? -21.832 -3.549 -1.282 1.00 22.71 ? 285 THR A HB 1 ATOM 4093 H HG1 . THR A 1 285 ? -20.315 -4.702 -0.147 1.00 26.30 ? 285 THR A HG1 1 ATOM 4094 H HG21 . THR A 1 285 ? -20.430 -5.404 -2.889 1.00 23.31 ? 285 THR A HG21 1 ATOM 4095 H HG22 . THR A 1 285 ? -21.600 -5.793 -1.902 1.00 23.31 ? 285 THR A HG22 1 ATOM 4096 H HG23 . THR A 1 285 ? -21.904 -4.918 -3.181 1.00 23.31 ? 285 THR A HG23 1 ATOM 4097 N N . GLY A 1 286 ? -21.118 -2.832 -4.920 1.00 14.19 ? 286 GLY A N 1 ATOM 4098 C CA . GLY A 1 286 ? -22.013 -2.688 -6.054 1.00 12.98 ? 286 GLY A CA 1 ATOM 4099 C C . GLY A 1 286 ? -21.977 -1.338 -6.740 1.00 10.82 ? 286 GLY A C 1 ATOM 4100 O O . GLY A 1 286 ? -22.598 -1.164 -7.786 1.00 11.02 ? 286 GLY A O 1 ATOM 4101 H H . GLY A 1 286 ? -20.353 -3.169 -5.121 1.00 17.02 ? 286 GLY A H 1 ATOM 4102 H HA2 . GLY A 1 286 ? -21.792 -3.363 -6.715 1.00 15.58 ? 286 GLY A HA2 1 ATOM 4103 H HA3 . GLY A 1 286 ? -22.922 -2.847 -5.757 1.00 15.58 ? 286 GLY A HA3 1 ATOM 4104 N N . SER A 1 287 ? -21.246 -0.383 -6.177 1.00 9.98 ? 287 SER A N 1 ATOM 4105 C CA . SER A 1 287 ? -21.164 0.939 -6.774 1.00 8.26 ? 287 SER A CA 1 ATOM 4106 C C . SER A 1 287 ? -20.346 0.934 -8.051 1.00 8.40 ? 287 SER A C 1 ATOM 4107 O O . SER A 1 287 ? -19.374 0.199 -8.156 1.00 9.49 ? 287 SER A O 1 ATOM 4108 C CB . SER A 1 287 ? -20.545 1.926 -5.785 1.00 8.13 ? 287 SER A CB 1 ATOM 4109 O OG . SER A 1 287 ? -20.421 3.202 -6.372 1.00 8.02 ? 287 SER A OG 1 ATOM 4110 H H . SER A 1 287 ? -20.791 -0.476 -5.453 1.00 11.97 ? 287 SER A H 1 ATOM 4111 H HA . SER A 1 287 ? -22.058 1.247 -6.989 1.00 9.91 ? 287 SER A HA 1 ATOM 4112 H HB2 . SER A 1 287 ? -21.116 1.991 -5.004 1.00 9.75 ? 287 SER A HB2 1 ATOM 4113 H HB3 . SER A 1 287 ? -19.666 1.608 -5.529 1.00 9.75 ? 287 SER A HB3 1 ATOM 4114 H HG . SER A 1 287 ? -21.177 3.488 -6.600 1.00 9.62 ? 287 SER A HG 1 ATOM 4115 N N . SER A 1 288 ? -20.718 1.778 -9.012 1.00 8.80 ? 288 SER A N 1 ATOM 4116 C CA . SER A 1 288 ? -19.894 1.990 -10.203 1.00 10.37 ? 288 SER A CA 1 ATOM 4117 C C . SER A 1 288 ? -18.921 3.156 -10.054 1.00 8.93 ? 288 SER A C 1 ATOM 4118 O O . SER A 1 288 ? -18.257 3.531 -11.029 1.00 11.14 ? 288 SER A O 1 ATOM 4119 C CB . SER A 1 288 ? -20.748 2.211 -11.435 1.00 12.49 ? 288 SER A CB 1 ATOM 4120 O OG . SER A 1 288 ? -21.403 3.448 -11.356 1.00 16.22 ? 288 SER A OG 1 ATOM 4121 H H . SER A 1 288 ? -21.443 2.240 -8.999 1.00 10.56 ? 288 SER A H 1 ATOM 4122 H HA . SER A 1 288 ? -19.366 1.190 -10.356 1.00 12.44 ? 288 SER A HA 1 ATOM 4123 H HB2 . SER A 1 288 ? -20.180 2.202 -12.221 1.00 14.99 ? 288 SER A HB2 1 ATOM 4124 H HB3 . SER A 1 288 ? -21.410 1.505 -11.493 1.00 14.99 ? 288 SER A HB3 1 ATOM 4125 H HG . SER A 1 288 ? -20.840 4.069 -11.303 1.00 19.47 ? 288 SER A HG 1 ATOM 4126 N N . SER A 1 289 ? -18.842 3.727 -8.851 1.00 8.34 ? 289 SER A N 1 ATOM 4127 C CA A SER A 1 289 ? -17.811 4.711 -8.543 0.57 8.67 ? 289 SER A CA 1 ATOM 4128 C CA B SER A 1 289 ? -17.829 4.728 -8.525 0.43 8.70 ? 289 SER A CA 1 ATOM 4129 C C . SER A 1 289 ? -16.701 4.030 -7.771 1.00 8.60 ? 289 SER A C 1 ATOM 4130 O O . SER A 1 289 ? -16.955 3.358 -6.762 1.00 8.94 ? 289 SER A O 1 ATOM 4131 C CB A SER A 1 289 ? -18.383 5.861 -7.723 0.57 10.03 ? 289 SER A CB 1 ATOM 4132 C CB B SER A 1 289 ? -18.440 5.841 -7.662 0.43 9.85 ? 289 SER A CB 1 ATOM 4133 O OG A SER A 1 289 ? -19.298 6.597 -8.504 0.57 11.05 ? 289 SER A OG 1 ATOM 4134 O OG B SER A 1 289 ? -17.517 6.888 -7.410 0.43 10.78 ? 289 SER A OG 1 ATOM 4135 H H A SER A 1 289 ? -19.375 3.561 -8.197 0.57 10.01 ? 289 SER A H 1 ATOM 4136 H H B SER A 1 289 ? -19.372 3.548 -8.198 0.43 10.01 ? 289 SER A H 1 ATOM 4137 H HA A SER A 1 289 ? -17.443 5.068 -9.367 0.57 10.40 ? 289 SER A HA 1 ATOM 4138 H HA B SER A 1 289 ? -17.472 5.118 -9.339 0.43 10.44 ? 289 SER A HA 1 ATOM 4139 H HB2 A SER A 1 289 ? -18.842 5.502 -6.948 0.57 12.04 ? 289 SER A HB2 1 ATOM 4140 H HB2 B SER A 1 289 ? -19.209 6.208 -8.125 0.43 11.82 ? 289 SER A HB2 1 ATOM 4141 H HB3 A SER A 1 289 ? -17.660 6.444 -7.444 0.57 12.04 ? 289 SER A HB3 1 ATOM 4142 H HB3 B SER A 1 289 ? -18.718 5.461 -6.814 0.43 11.82 ? 289 SER A HB3 1 ATOM 4143 H HG A SER A 1 289 ? -19.615 7.231 -8.053 0.57 13.26 ? 289 SER A HG 1 ATOM 4144 H HG B SER A 1 289 ? -16.845 6.588 -7.006 0.43 12.93 ? 289 SER A HG 1 ATOM 4145 N N . CYS A 1 290 ? -15.477 4.173 -8.269 1.00 7.81 ? 290 CYS A N 1 ATOM 4146 C CA . CYS A 1 290 ? -14.316 3.503 -7.700 1.00 8.08 ? 290 CYS A CA 1 ATOM 4147 C C . CYS A 1 290 ? -13.382 4.505 -7.022 1.00 8.31 ? 290 CYS A C 1 ATOM 4148 O O . CYS A 1 290 ? -13.316 5.666 -7.406 1.00 9.24 ? 290 CYS A O 1 ATOM 4149 C CB . CYS A 1 290 ? -13.563 2.735 -8.798 1.00 9.18 ? 290 CYS A CB 1 ATOM 4150 S SG . CYS A 1 290 ? -14.221 1.077 -9.160 1.00 10.24 ? 290 CYS A SG 1 ATOM 4151 H H . CYS A 1 290 ? -15.291 4.664 -8.950 1.00 9.37 ? 290 CYS A H 1 ATOM 4152 H HA . CYS A 1 290 ? -14.611 2.864 -7.033 1.00 9.70 ? 290 CYS A HA 1 ATOM 4153 H HB2 . CYS A 1 290 ? -13.602 3.252 -9.618 1.00 11.02 ? 290 CYS A HB2 1 ATOM 4154 H HB3 . CYS A 1 290 ? -12.639 2.630 -8.523 1.00 11.02 ? 290 CYS A HB3 1 ATOM 4155 N N . PHE A 1 291 ? -12.692 4.055 -5.983 1.00 8.22 ? 291 PHE A N 1 ATOM 4156 C CA . PHE A 1 291 ? -11.831 4.940 -5.212 1.00 7.96 ? 291 PHE A CA 1 ATOM 4157 C C . PHE A 1 291 ? -10.407 4.940 -5.745 1.00 7.58 ? 291 PHE A C 1 ATOM 4158 O O . PHE A 1 291 ? -9.829 3.894 -6.016 1.00 8.29 ? 291 PHE A O 1 ATOM 4159 C CB . PHE A 1 291 ? -11.812 4.539 -3.739 1.00 9.19 ? 291 PHE A CB 1 ATOM 4160 C CG . PHE A 1 291 ? -11.287 5.628 -2.840 1.00 9.91 ? 291 PHE A CG 1 ATOM 4161 C CD1 . PHE A 1 291 ? -12.029 6.781 -2.646 1.00 11.18 ? 291 PHE A CD1 1 ATOM 4162 C CD2 . PHE A 1 291 ? -10.049 5.533 -2.233 1.00 11.44 ? 291 PHE A CD2 1 ATOM 4163 C CE1 . PHE A 1 291 ? -11.560 7.803 -1.853 1.00 13.25 ? 291 PHE A CE1 1 ATOM 4164 C CE2 . PHE A 1 291 ? -9.589 6.550 -1.423 1.00 11.69 ? 291 PHE A CE2 1 ATOM 4165 C CZ . PHE A 1 291 ? -10.347 7.685 -1.242 1.00 12.56 ? 291 PHE A CZ 1 ATOM 4166 H H . PHE A 1 291 ? -12.704 3.242 -5.704 1.00 9.87 ? 291 PHE A H 1 ATOM 4167 H HA . PHE A 1 291 ? -12.174 5.845 -5.272 1.00 9.55 ? 291 PHE A HA 1 ATOM 4168 H HB2 . PHE A 1 291 ? -12.717 4.329 -3.458 1.00 11.03 ? 291 PHE A HB2 1 ATOM 4169 H HB3 . PHE A 1 291 ? -11.243 3.761 -3.632 1.00 11.03 ? 291 PHE A HB3 1 ATOM 4170 H HD1 . PHE A 1 291 ? -12.857 6.866 -3.060 1.00 13.42 ? 291 PHE A HD1 1 ATOM 4171 H HD2 . PHE A 1 291 ? -9.534 4.768 -2.351 1.00 13.73 ? 291 PHE A HD2 1 ATOM 4172 H HE1 . PHE A 1 291 ? -12.075 8.566 -1.723 1.00 15.90 ? 291 PHE A HE1 1 ATOM 4173 H HE2 . PHE A 1 291 ? -8.759 6.477 -1.011 1.00 14.02 ? 291 PHE A HE2 1 ATOM 4174 H HZ . PHE A 1 291 ? -10.032 8.372 -0.700 1.00 15.07 ? 291 PHE A HZ 1 ATOM 4175 N N . GLY A 1 292 ? -9.835 6.125 -5.895 1.00 7.50 ? 292 GLY A N 1 ATOM 4176 C CA . GLY A 1 292 ? -8.491 6.234 -6.426 1.00 7.31 ? 292 GLY A CA 1 ATOM 4177 C C . GLY A 1 292 ? -7.372 5.962 -5.438 1.00 6.65 ? 292 GLY A C 1 ATOM 4178 O O . GLY A 1 292 ? -7.477 6.274 -4.247 1.00 7.75 ? 292 GLY A O 1 ATOM 4179 H H . GLY A 1 292 ? -10.203 6.877 -5.697 1.00 9.00 ? 292 GLY A H 1 ATOM 4180 H HA2 . GLY A 1 292 ? -8.394 5.609 -7.162 1.00 8.77 ? 292 GLY A HA2 1 ATOM 4181 H HA3 . GLY A 1 292 ? -8.365 7.129 -6.777 1.00 8.77 ? 292 GLY A HA3 1 ATOM 4182 N N . GLY A 1 293 ? -6.270 5.451 -5.969 1.00 7.05 ? 293 GLY A N 1 ATOM 4183 C CA . GLY A 1 293 ? -5.117 5.130 -5.154 1.00 7.10 ? 293 GLY A CA 1 ATOM 4184 C C . GLY A 1 293 ? -4.082 6.223 -5.006 1.00 7.00 ? 293 GLY A C 1 ATOM 4185 O O . GLY A 1 293 ? -3.104 6.054 -4.280 1.00 8.06 ? 293 GLY A O 1 ATOM 4186 H H . GLY A 1 293 ? -6.167 5.281 -6.806 1.00 8.46 ? 293 GLY A H 1 ATOM 4187 H HA2 . GLY A 1 293 ? -5.422 4.891 -4.265 1.00 8.52 ? 293 GLY A HA2 1 ATOM 4188 H HA3 . GLY A 1 293 ? -4.674 4.354 -5.534 1.00 8.52 ? 293 GLY A HA3 1 ATOM 4189 N N . ILE A 1 294 ? -4.284 7.312 -5.747 1.00 6.43 ? 294 ILE A N 1 ATOM 4190 C CA . ILE A 1 294 ? -3.480 8.525 -5.632 1.00 7.23 ? 294 ILE A CA 1 ATOM 4191 C C . ILE A 1 294 ? -4.422 9.613 -5.138 1.00 6.78 ? 294 ILE A C 1 ATOM 4192 O O . ILE A 1 294 ? -5.461 9.870 -5.746 1.00 7.31 ? 294 ILE A O 1 ATOM 4193 C CB . ILE A 1 294 ? -2.852 8.923 -6.981 1.00 8.69 ? 294 ILE A CB 1 ATOM 4194 C CG1 . ILE A 1 294 ? -1.867 7.845 -7.442 1.00 8.93 ? 294 ILE A CG1 1 ATOM 4195 C CG2 . ILE A 1 294 ? -2.180 10.278 -6.874 1.00 10.15 ? 294 ILE A CG2 1 ATOM 4196 C CD1 . ILE A 1 294 ? -1.266 8.102 -8.799 1.00 10.15 ? 294 ILE A CD1 1 ATOM 4197 H H . ILE A 1 294 ? -4.902 7.372 -6.342 1.00 7.72 ? 294 ILE A H 1 ATOM 4198 H HA . ILE A 1 294 ? -2.774 8.396 -4.980 1.00 8.68 ? 294 ILE A HA 1 ATOM 4199 H HB . ILE A 1 294 ? -3.561 8.987 -7.639 1.00 10.43 ? 294 ILE A HB 1 ATOM 4200 H HG12 . ILE A 1 294 ? -1.140 7.792 -6.802 1.00 10.72 ? 294 ILE A HG12 1 ATOM 4201 H HG13 . ILE A 1 294 ? -2.332 6.994 -7.481 1.00 10.72 ? 294 ILE A HG13 1 ATOM 4202 H HG21 . ILE A 1 294 ? -1.485 10.233 -6.198 1.00 12.18 ? 294 ILE A HG21 1 ATOM 4203 H HG22 . ILE A 1 294 ? -1.793 10.507 -7.733 1.00 12.18 ? 294 ILE A HG22 1 ATOM 4204 H HG23 . ILE A 1 294 ? -2.844 10.940 -6.623 1.00 12.18 ? 294 ILE A HG23 1 ATOM 4205 H HD11 . ILE A 1 294 ? -0.785 8.944 -8.776 1.00 12.18 ? 294 ILE A HD11 1 ATOM 4206 H HD12 . ILE A 1 294 ? -0.657 7.379 -9.016 1.00 12.18 ? 294 ILE A HD12 1 ATOM 4207 H HD13 . ILE A 1 294 ? -1.978 8.145 -9.456 1.00 12.18 ? 294 ILE A HD13 1 ATOM 4208 N N . GLN A 1 295 ? -4.052 10.240 -4.032 1.00 7.01 ? 295 GLN A N 1 ATOM 4209 C CA . GLN A 1 295 ? -4.905 11.211 -3.362 1.00 7.46 ? 295 GLN A CA 1 ATOM 4210 C C . GLN A 1 295 ? -4.071 12.402 -2.926 1.00 7.39 ? 295 GLN A C 1 ATOM 4211 O O . GLN A 1 295 ? -2.848 12.320 -2.827 1.00 7.83 ? 295 GLN A O 1 ATOM 4212 C CB . GLN A 1 295 ? -5.581 10.572 -2.148 1.00 8.25 ? 295 GLN A CB 1 ATOM 4213 C CG . GLN A 1 295 ? -6.533 9.416 -2.483 1.00 8.32 ? 295 GLN A CG 1 ATOM 4214 C CD . GLN A 1 295 ? -7.780 9.863 -3.243 1.00 7.94 ? 295 GLN A CD 1 ATOM 4215 O OE1 . GLN A 1 295 ? -8.104 11.055 -3.318 1.00 9.03 ? 295 GLN A OE1 1 ATOM 4216 N NE2 . GLN A 1 295 ? -8.477 8.910 -3.822 1.00 8.10 ? 295 GLN A NE2 1 ATOM 4217 H H . GLN A 1 295 ? -3.296 10.119 -3.641 1.00 8.41 ? 295 GLN A H 1 ATOM 4218 H HA . GLN A 1 295 ? -5.592 11.519 -3.973 1.00 8.95 ? 295 GLN A HA 1 ATOM 4219 H HB2 . GLN A 1 295 ? -4.895 10.225 -1.557 1.00 9.90 ? 295 GLN A HB2 1 ATOM 4220 H HB3 . GLN A 1 295 ? -6.096 11.252 -1.686 1.00 9.90 ? 295 GLN A HB3 1 ATOM 4221 H HG2 . GLN A 1 295 ? -6.063 8.771 -3.034 1.00 9.99 ? 295 GLN A HG2 1 ATOM 4222 H HG3 . GLN A 1 295 ? -6.822 8.997 -1.657 1.00 9.99 ? 295 GLN A HG3 1 ATOM 4223 H HE21 . GLN A 1 295 ? -9.189 9.105 -4.263 1.00 9.71 ? 295 GLN A HE21 1 ATOM 4224 H HE22 . GLN A 1 295 ? -8.222 8.091 -3.758 1.00 9.71 ? 295 GLN A HE22 1 ATOM 4225 N N . SER A 1 296 ? -4.736 13.525 -2.681 1.00 7.74 ? 296 SER A N 1 ATOM 4226 C CA . SER A 1 296 ? -4.050 14.724 -2.252 1.00 7.64 ? 296 SER A CA 1 ATOM 4227 C C . SER A 1 296 ? -3.560 14.639 -0.811 1.00 7.42 ? 296 SER A C 1 ATOM 4228 O O . SER A 1 296 ? -4.266 14.181 0.092 1.00 8.50 ? 296 SER A O 1 ATOM 4229 C CB . SER A 1 296 ? -4.998 15.910 -2.364 1.00 8.59 ? 296 SER A CB 1 ATOM 4230 O OG . SER A 1 296 ? -4.348 17.086 -1.908 1.00 9.27 ? 296 SER A OG 1 ATOM 4231 H H . SER A 1 296 ? -5.588 13.614 -2.758 1.00 9.28 ? 296 SER A H 1 ATOM 4232 H HA . SER A 1 296 ? -3.286 14.884 -2.829 1.00 9.17 ? 296 SER A HA 1 ATOM 4233 H HB2 . SER A 1 296 ? -5.256 16.027 -3.291 1.00 10.31 ? 296 SER A HB2 1 ATOM 4234 H HB3 . SER A 1 296 ? -5.781 15.746 -1.816 1.00 10.31 ? 296 SER A HB3 1 ATOM 4235 H HG . SER A 1 296 ? -4.868 17.743 -1.968 1.00 11.13 ? 296 SER A HG 1 ATOM 4236 N N . SER A 1 297 ? -2.337 15.121 -0.600 1.00 7.82 ? 297 SER A N 1 ATOM 4237 C CA . SER A 1 297 ? -1.771 15.249 0.734 1.00 8.99 ? 297 SER A CA 1 ATOM 4238 C C . SER A 1 297 ? -2.114 16.585 1.392 1.00 9.71 ? 297 SER A C 1 ATOM 4239 O O . SER A 1 297 ? -1.658 16.851 2.491 1.00 11.45 ? 297 SER A O 1 ATOM 4240 C CB . SER A 1 297 ? -0.246 15.154 0.658 1.00 9.01 ? 297 SER A CB 1 ATOM 4241 O OG . SER A 1 297 ? 0.274 16.247 -0.070 1.00 10.23 ? 297 SER A OG 1 ATOM 4242 H H . SER A 1 297 ? -1.810 15.385 -1.226 1.00 9.39 ? 297 SER A H 1 ATOM 4243 H HA . SER A 1 297 ? -2.099 14.531 1.298 1.00 10.79 ? 297 SER A HA 1 ATOM 4244 H HB2 . SER A 1 297 ? 0.119 15.167 1.556 1.00 10.81 ? 297 SER A HB2 1 ATOM 4245 H HB3 . SER A 1 297 ? 0.000 14.329 0.210 1.00 10.81 ? 297 SER A HB3 1 ATOM 4246 H HG . SER A 1 297 ? -0.038 16.247 -0.850 1.00 12.27 ? 297 SER A HG 1 ATOM 4247 N N A ALA A 1 298 ? -2.867 17.447 0.712 0.55 9.61 ? 298 ALA A N 1 ATOM 4248 N N B ALA A 1 298 ? -2.912 17.417 0.721 0.45 11.10 ? 298 ALA A N 1 ATOM 4249 C CA A ALA A 1 298 ? -3.176 18.746 1.290 0.55 11.32 ? 298 ALA A CA 1 ATOM 4250 C CA B ALA A 1 298 ? -3.126 18.798 1.158 0.45 13.76 ? 298 ALA A CA 1 ATOM 4251 C C A ALA A 1 298 ? -4.021 18.536 2.538 0.55 13.92 ? 298 ALA A C 1 ATOM 4252 C C B ALA A 1 298 ? -3.541 18.938 2.622 0.45 15.89 ? 298 ALA A C 1 ATOM 4253 O O A ALA A 1 298 ? -5.057 17.879 2.493 0.55 15.31 ? 298 ALA A O 1 ATOM 4254 O O B ALA A 1 298 ? -3.133 19.883 3.287 0.45 16.72 ? 298 ALA A O 1 ATOM 4255 C CB A ALA A 1 298 ? -3.896 19.620 0.287 0.55 10.30 ? 298 ALA A CB 1 ATOM 4256 C CB B ALA A 1 298 ? -4.144 19.479 0.262 0.45 14.01 ? 298 ALA A CB 1 ATOM 4257 H H A ALA A 1 298 ? -3.203 17.306 -0.068 0.55 11.53 ? 298 ALA A H 1 ATOM 4258 H H B ALA A 1 298 ? -3.343 17.205 0.008 0.45 13.33 ? 298 ALA A H 1 ATOM 4259 H HA A ALA A 1 298 ? -2.353 19.190 1.548 0.55 13.58 ? 298 ALA A HA 1 ATOM 4260 H HA B ALA A 1 298 ? -2.290 19.278 1.054 0.45 16.51 ? 298 ALA A HA 1 ATOM 4261 H HB1 A ALA A 1 298 ? -3.327 19.745 -0.488 0.55 12.36 ? 298 ALA A HB1 1 ATOM 4262 H HB1 B ALA A 1 298 ? -4.272 20.391 0.567 0.45 16.81 ? 298 ALA A HB1 1 ATOM 4263 H HB2 A ALA A 1 298 ? -4.722 19.185 0.025 0.55 12.36 ? 298 ALA A HB2 1 ATOM 4264 H HB2 B ALA A 1 298 ? -3.812 19.478 -0.649 0.45 16.81 ? 298 ALA A HB2 1 ATOM 4265 H HB3 A ALA A 1 298 ? -4.090 20.478 0.698 0.55 12.36 ? 298 ALA A HB3 1 ATOM 4266 H HB3 B ALA A 1 298 ? -4.982 18.993 0.310 0.45 16.81 ? 298 ALA A HB3 1 ATOM 4267 N N A GLY A 1 299 ? -3.558 19.075 3.658 0.55 16.12 ? 299 GLY A N 1 ATOM 4268 N N B GLY A 1 299 ? -4.344 18.007 3.126 0.45 16.71 ? 299 GLY A N 1 ATOM 4269 C CA A GLY A 1 299 ? -4.247 18.889 4.914 0.55 18.23 ? 299 GLY A CA 1 ATOM 4270 C CA B GLY A 1 299 ? -4.838 18.095 4.490 0.45 18.80 ? 299 GLY A CA 1 ATOM 4271 C C A GLY A 1 299 ? -3.566 17.847 5.775 0.55 20.21 ? 299 GLY A C 1 ATOM 4272 C C B GLY A 1 299 ? -4.051 17.284 5.507 0.45 20.53 ? 299 GLY A C 1 ATOM 4273 O O A GLY A 1 299 ? -3.741 17.869 6.985 0.55 21.16 ? 299 GLY A O 1 ATOM 4274 O O B GLY A 1 299 ? -4.552 17.021 6.601 0.45 21.43 ? 299 GLY A O 1 ATOM 4275 H H A GLY A 1 299 ? -2.845 19.553 3.712 0.55 19.35 ? 299 GLY A H 1 ATOM 4276 H H B GLY A 1 299 ? -4.616 17.314 2.696 0.45 20.05 ? 299 GLY A H 1 ATOM 4277 H HA2 A GLY A 1 299 ? -4.268 19.728 5.401 0.55 21.88 ? 299 GLY A HA2 1 ATOM 4278 H HA2 B GLY A 1 299 ? -4.823 19.024 4.771 0.45 22.55 ? 299 GLY A HA2 1 ATOM 4279 H HA3 A GLY A 1 299 ? -5.159 18.604 4.746 0.55 21.88 ? 299 GLY A HA3 1 ATOM 4280 H HA3 B GLY A 1 299 ? -5.759 17.790 4.512 0.45 22.55 ? 299 GLY A HA3 1 ATOM 4281 N N . ILE A 1 300 ? -2.811 16.928 5.166 1.00 21.06 ? 300 ILE A N 1 ATOM 4282 C CA . ILE A 1 300 ? -2.007 15.977 5.953 1.00 22.29 ? 300 ILE A CA 1 ATOM 4283 C C . ILE A 1 300 ? -0.753 16.634 6.498 1.00 22.89 ? 300 ILE A C 1 ATOM 4284 O O . ILE A 1 300 ? -0.299 16.304 7.596 1.00 25.00 ? 300 ILE A O 1 ATOM 4285 C CB . ILE A 1 300 ? -1.537 14.754 5.121 1.00 24.65 ? 300 ILE A CB 1 ATOM 4286 C CG1 . ILE A 1 300 ? -2.732 13.939 4.640 1.00 26.00 ? 300 ILE A CG1 1 ATOM 4287 C CG2 . ILE A 1 300 ? -0.588 13.859 5.951 1.00 25.71 ? 300 ILE A CG2 1 ATOM 4288 C CD1 . ILE A 1 300 ? -2.359 12.761 3.759 1.00 26.41 ? 300 ILE A CD1 1 ATOM 4289 H H A ILE A 1 300 ? -2.745 16.832 4.314 0.55 25.28 ? 300 ILE A H 1 ATOM 4290 H H B ILE A 1 300 ? -2.403 17.227 4.471 0.45 25.28 ? 300 ILE A H 1 ATOM 4291 H HA . ILE A 1 300 ? -2.533 15.654 6.701 1.00 26.75 ? 300 ILE A HA 1 ATOM 4292 H HB . ILE A 1 300 ? -1.054 15.078 4.345 1.00 29.58 ? 300 ILE A HB 1 ATOM 4293 H HG12 . ILE A 1 300 ? -3.206 13.593 5.412 1.00 31.20 ? 300 ILE A HG12 1 ATOM 4294 H HG13 . ILE A 1 300 ? -3.318 14.517 4.127 1.00 31.20 ? 300 ILE A HG13 1 ATOM 4295 H HG21 . ILE A 1 300 ? -0.311 13.105 5.407 1.00 30.86 ? 300 ILE A HG21 1 ATOM 4296 H HG22 . ILE A 1 300 ? 0.186 14.380 6.214 1.00 30.86 ? 300 ILE A HG22 1 ATOM 4297 H HG23 . ILE A 1 300 ? -1.060 13.544 6.738 1.00 30.86 ? 300 ILE A HG23 1 ATOM 4298 H HD11 . ILE A 1 300 ? -1.894 13.089 2.973 1.00 31.69 ? 300 ILE A HD11 1 ATOM 4299 H HD12 . ILE A 1 300 ? -1.782 12.163 4.260 1.00 31.69 ? 300 ILE A HD12 1 ATOM 4300 H HD13 . ILE A 1 300 ? -3.168 12.295 3.495 1.00 31.69 ? 300 ILE A HD13 1 ATOM 4301 N N . GLY A 1 301 ? -0.160 17.522 5.712 1.00 21.50 ? 301 GLY A N 1 ATOM 4302 C CA . GLY A 1 301 ? 1.050 18.207 6.123 1.00 22.16 ? 301 GLY A CA 1 ATOM 4303 C C . GLY A 1 301 ? 2.327 17.543 5.650 1.00 20.89 ? 301 GLY A C 1 ATOM 4304 O O . GLY A 1 301 ? 3.418 18.045 5.899 1.00 22.96 ? 301 GLY A O 1 ATOM 4305 H H . GLY A 1 301 ? -0.442 17.745 4.930 1.00 25.80 ? 301 GLY A H 1 ATOM 4306 H HA2 . GLY A 1 301 ? 1.035 19.113 5.777 1.00 26.59 ? 301 GLY A HA2 1 ATOM 4307 H HA3 . GLY A 1 301 ? 1.075 18.254 7.092 1.00 26.59 ? 301 GLY A HA3 1 ATOM 4308 N N . ILE A 1 302 ? 2.201 16.405 4.973 1.00 18.36 ? 302 ILE A N 1 ATOM 4309 C CA . ILE A 1 302 ? 3.367 15.704 4.455 1.00 16.47 ? 302 ILE A CA 1 ATOM 4310 C C . ILE A 1 302 ? 2.926 14.827 3.282 1.00 12.97 ? 302 ILE A C 1 ATOM 4311 O O . ILE A 1 302 ? 1.797 14.339 3.263 1.00 13.68 ? 302 ILE A O 1 ATOM 4312 C CB . ILE A 1 302 ? 4.049 14.873 5.583 1.00 19.79 ? 302 ILE A CB 1 ATOM 4313 C CG1 . ILE A 1 302 ? 5.477 14.468 5.193 1.00 21.99 ? 302 ILE A CG1 1 ATOM 4314 C CG2 . ILE A 1 302 ? 3.192 13.683 5.963 1.00 20.15 ? 302 ILE A CG2 1 ATOM 4315 C CD1 . ILE A 1 302 ? 6.374 14.120 6.393 1.00 23.59 ? 302 ILE A CD1 1 ATOM 4316 H H . ILE A 1 302 ? 1.452 16.020 4.801 1.00 22.03 ? 302 ILE A H 1 ATOM 4317 H HA . ILE A 1 302 ? 4.009 16.352 4.125 1.00 19.77 ? 302 ILE A HA 1 ATOM 4318 H HB . ILE A 1 302 ? 4.114 15.443 6.365 1.00 23.75 ? 302 ILE A HB 1 ATOM 4319 H HG12 . ILE A 1 302 ? 5.435 13.687 4.619 1.00 26.39 ? 302 ILE A HG12 1 ATOM 4320 H HG13 . ILE A 1 302 ? 5.891 15.204 4.716 1.00 26.39 ? 302 ILE A HG13 1 ATOM 4321 H HG21 . ILE A 1 302 ? 2.332 14.001 6.279 1.00 24.18 ? 302 ILE A HG21 1 ATOM 4322 H HG22 . ILE A 1 302 ? 3.070 13.120 5.183 1.00 24.18 ? 302 ILE A HG22 1 ATOM 4323 H HG23 . ILE A 1 302 ? 3.638 13.184 6.665 1.00 24.18 ? 302 ILE A HG23 1 ATOM 4324 H HD11 . ILE A 1 302 ? 6.437 14.895 6.974 1.00 28.31 ? 302 ILE A HD11 1 ATOM 4325 H HD12 . ILE A 1 302 ? 5.980 13.376 6.876 1.00 28.31 ? 302 ILE A HD12 1 ATOM 4326 H HD13 . ILE A 1 302 ? 7.254 13.876 6.069 1.00 28.31 ? 302 ILE A HD13 1 ATOM 4327 N N . ASN A 1 303 ? 3.797 14.649 2.294 1.00 11.23 ? 303 ASN A N 1 ATOM 4328 C CA . ASN A 1 303 ? 3.525 13.720 1.199 1.00 8.94 ? 303 ASN A CA 1 ATOM 4329 C C . ASN A 1 303 ? 3.907 12.326 1.657 1.00 8.01 ? 303 ASN A C 1 ATOM 4330 O O . ASN A 1 303 ? 4.871 12.157 2.413 1.00 9.11 ? 303 ASN A O 1 ATOM 4331 C CB . ASN A 1 303 ? 4.286 14.118 -0.062 1.00 9.18 ? 303 ASN A CB 1 ATOM 4332 C CG . ASN A 1 303 ? 3.916 15.498 -0.536 1.00 9.26 ? 303 ASN A CG 1 ATOM 4333 O OD1 . ASN A 1 303 ? 2.742 15.791 -0.765 1.00 10.11 ? 303 ASN A OD1 1 ATOM 4334 N ND2 . ASN A 1 303 ? 4.909 16.364 -0.680 1.00 9.90 ? 303 ASN A ND2 1 ATOM 4335 H H . ASN A 1 303 ? 4.554 15.053 2.233 1.00 13.48 ? 303 ASN A H 1 ATOM 4336 H HA . ASN A 1 303 ? 2.576 13.727 0.999 1.00 10.73 ? 303 ASN A HA 1 ATOM 4337 H HB2 . ASN A 1 303 ? 5.238 14.108 0.124 1.00 11.01 ? 303 ASN A HB2 1 ATOM 4338 H HB3 . ASN A 1 303 ? 4.078 13.489 -0.771 1.00 11.01 ? 303 ASN A HB3 1 ATOM 4339 H HD21 . ASN A 1 303 ? 5.717 16.125 -0.506 1.00 11.88 ? 303 ASN A HD21 1 ATOM 4340 H HD22 . ASN A 1 303 ? 4.746 17.165 -0.949 1.00 11.88 ? 303 ASN A HD22 1 ATOM 4341 N N . ILE A 1 304 ? 3.145 11.331 1.226 1.00 7.78 ? 304 ILE A N 1 ATOM 4342 C CA . ILE A 1 304 ? 3.345 9.964 1.709 1.00 7.83 ? 304 ILE A CA 1 ATOM 4343 C C . ILE A 1 304 ? 3.423 8.987 0.546 1.00 8.05 ? 304 ILE A C 1 ATOM 4344 O O . ILE A 1 304 ? 2.445 8.785 -0.181 1.00 8.12 ? 304 ILE A O 1 ATOM 4345 C CB . ILE A 1 304 ? 2.226 9.502 2.653 1.00 8.61 ? 304 ILE A CB 1 ATOM 4346 C CG1 . ILE A 1 304 ? 2.037 10.499 3.801 1.00 9.98 ? 304 ILE A CG1 1 ATOM 4347 C CG2 . ILE A 1 304 ? 2.552 8.106 3.205 1.00 8.74 ? 304 ILE A CG2 1 ATOM 4348 C CD1 . ILE A 1 304 ? 0.883 10.174 4.726 1.00 11.60 ? 304 ILE A CD1 1 ATOM 4349 H H . ILE A 1 304 ? 2.507 11.416 0.655 1.00 9.34 ? 304 ILE A H 1 ATOM 4350 H HA . ILE A 1 304 ? 4.183 9.920 2.195 1.00 9.39 ? 304 ILE A HA 1 ATOM 4351 H HB . ILE A 1 304 ? 1.398 9.450 2.149 1.00 10.33 ? 304 ILE A HB 1 ATOM 4352 H HG12 . ILE A 1 304 ? 2.847 10.515 4.334 1.00 11.97 ? 304 ILE A HG12 1 ATOM 4353 H HG13 . ILE A 1 304 ? 1.876 11.379 3.425 1.00 11.97 ? 304 ILE A HG13 1 ATOM 4354 H HG21 . ILE A 1 304 ? 2.629 7.484 2.464 1.00 10.49 ? 304 ILE A HG21 1 ATOM 4355 H HG22 . ILE A 1 304 ? 3.390 8.147 3.691 1.00 10.49 ? 304 ILE A HG22 1 ATOM 4356 H HG23 . ILE A 1 304 ? 1.838 7.826 3.798 1.00 10.49 ? 304 ILE A HG23 1 ATOM 4357 H HD11 . ILE A 1 304 ? 1.033 9.302 5.123 1.00 13.92 ? 304 ILE A HD11 1 ATOM 4358 H HD12 . ILE A 1 304 ? 0.834 10.850 5.419 1.00 13.92 ? 304 ILE A HD12 1 ATOM 4359 H HD13 . ILE A 1 304 ? 0.060 10.167 4.212 1.00 13.92 ? 304 ILE A HD13 1 ATOM 4360 N N . PHE A 1 305 ? 4.608 8.411 0.359 1.00 7.56 ? 305 PHE A N 1 ATOM 4361 C CA . PHE A 1 305 ? 4.794 7.313 -0.576 1.00 7.75 ? 305 PHE A CA 1 ATOM 4362 C C . PHE A 1 305 ? 4.407 6.036 0.155 1.00 7.47 ? 305 PHE A C 1 ATOM 4363 O O . PHE A 1 305 ? 5.244 5.354 0.767 1.00 8.24 ? 305 PHE A O 1 ATOM 4364 C CB . PHE A 1 305 ? 6.237 7.276 -1.096 1.00 8.55 ? 305 PHE A CB 1 ATOM 4365 C CG . PHE A 1 305 ? 6.592 8.450 -1.952 1.00 8.95 ? 305 PHE A CG 1 ATOM 4366 C CD1 . PHE A 1 305 ? 7.053 9.623 -1.385 1.00 10.65 ? 305 PHE A CD1 1 ATOM 4367 C CD2 . PHE A 1 305 ? 6.445 8.396 -3.333 1.00 9.20 ? 305 PHE A CD2 1 ATOM 4368 C CE1 . PHE A 1 305 ? 7.362 10.714 -2.183 1.00 11.24 ? 305 PHE A CE1 1 ATOM 4369 C CE2 . PHE A 1 305 ? 6.745 9.490 -4.126 1.00 10.48 ? 305 PHE A CE2 1 ATOM 4370 C CZ . PHE A 1 305 ? 7.191 10.643 -3.551 1.00 10.79 ? 305 PHE A CZ 1 ATOM 4371 H H . PHE A 1 305 ? 5.328 8.643 0.770 1.00 9.07 ? 305 PHE A H 1 ATOM 4372 H HA . PHE A 1 305 ? 4.198 7.428 -1.333 1.00 9.30 ? 305 PHE A HA 1 ATOM 4373 H HB2 . PHE A 1 305 ? 6.843 7.265 -0.339 1.00 10.26 ? 305 PHE A HB2 1 ATOM 4374 H HB3 . PHE A 1 305 ? 6.358 6.473 -1.628 1.00 10.26 ? 305 PHE A HB3 1 ATOM 4375 H HD1 . PHE A 1 305 ? 7.155 9.681 -0.462 1.00 12.78 ? 305 PHE A HD1 1 ATOM 4376 H HD2 . PHE A 1 305 ? 6.126 7.618 -3.729 1.00 11.04 ? 305 PHE A HD2 1 ATOM 4377 H HE1 . PHE A 1 305 ? 7.670 11.501 -1.795 1.00 13.49 ? 305 PHE A HE1 1 ATOM 4378 H HE2 . PHE A 1 305 ? 6.642 9.439 -5.049 1.00 12.57 ? 305 PHE A HE2 1 ATOM 4379 H HZ . PHE A 1 305 ? 7.410 11.373 -4.084 1.00 12.95 ? 305 PHE A HZ 1 ATOM 4380 N N . GLY A 1 306 ? 3.113 5.739 0.108 1.00 7.80 ? 306 GLY A N 1 ATOM 4381 C CA . GLY A 1 306 ? 2.563 4.558 0.739 1.00 7.94 ? 306 GLY A CA 1 ATOM 4382 C C . GLY A 1 306 ? 2.647 3.330 -0.157 1.00 7.00 ? 306 GLY A C 1 ATOM 4383 O O . GLY A 1 306 ? 3.396 3.318 -1.141 1.00 7.33 ? 306 GLY A O 1 ATOM 4384 H H . GLY A 1 306 ? 2.525 6.221 -0.294 1.00 9.36 ? 306 GLY A H 1 ATOM 4385 H HA2 . GLY A 1 306 ? 3.048 4.374 1.558 1.00 9.53 ? 306 GLY A HA2 1 ATOM 4386 H HA3 . GLY A 1 306 ? 1.632 4.714 0.961 1.00 9.53 ? 306 GLY A HA3 1 ATOM 4387 N N . ASP A 1 307 ? 1.879 2.299 0.189 1.00 7.58 ? 307 ASP A N 1 ATOM 4388 C CA . ASP A 1 307 ? 2.014 1.003 -0.460 1.00 7.93 ? 307 ASP A CA 1 ATOM 4389 C C . ASP A 1 307 ? 1.824 1.066 -1.972 1.00 7.80 ? 307 ASP A C 1 ATOM 4390 O O . ASP A 1 307 ? 2.481 0.346 -2.698 1.00 8.24 ? 307 ASP A O 1 ATOM 4391 C CB . ASP A 1 307 ? 1.040 -0.021 0.135 1.00 7.99 ? 307 ASP A CB 1 ATOM 4392 C CG . ASP A 1 307 ? 1.272 -0.272 1.603 1.00 9.28 ? 307 ASP A CG 1 ATOM 4393 O OD1 . ASP A 1 307 ? 2.420 -0.108 2.094 1.00 8.85 ? 307 ASP A OD1 1 ATOM 4394 O OD2 . ASP A 1 307 ? 0.304 -0.655 2.289 1.00 10.69 ? 307 ASP A OD2 1 ATOM 4395 H H . ASP A 1 307 ? 1.272 2.327 0.798 1.00 9.10 ? 307 ASP A H 1 ATOM 4396 H HA . ASP A 1 307 ? 2.912 0.675 -0.297 1.00 9.51 ? 307 ASP A HA 1 ATOM 4397 H HB2 . ASP A 1 307 ? 0.134 0.307 0.027 1.00 9.59 ? 307 ASP A HB2 1 ATOM 4398 H HB3 . ASP A 1 307 ? 1.145 -0.864 -0.333 1.00 9.59 ? 307 ASP A HB3 1 ATOM 4399 N N . VAL A 1 308 ? 0.898 1.901 -2.445 1.00 7.55 ? 308 VAL A N 1 ATOM 4400 C CA . VAL A 1 308 ? 0.677 2.043 -3.885 1.00 7.61 ? 308 VAL A CA 1 ATOM 4401 C C . VAL A 1 308 ? 1.982 2.324 -4.628 1.00 7.69 ? 308 VAL A C 1 ATOM 4402 O O . VAL A 1 308 ? 2.217 1.752 -5.696 1.00 8.89 ? 308 VAL A O 1 ATOM 4403 C CB . VAL A 1 308 ? -0.392 3.138 -4.167 1.00 8.55 ? 308 VAL A CB 1 ATOM 4404 C CG1 . VAL A 1 308 ? -0.353 3.632 -5.619 1.00 9.78 ? 308 VAL A CG1 1 ATOM 4405 C CG2 . VAL A 1 308 ? -1.769 2.613 -3.802 1.00 8.37 ? 308 VAL A CG2 1 ATOM 4406 H H . VAL A 1 308 ? 0.388 2.393 -1.957 1.00 9.06 ? 308 VAL A H 1 ATOM 4407 H HA . VAL A 1 308 ? 0.327 1.204 -4.224 1.00 9.14 ? 308 VAL A HA 1 ATOM 4408 H HB . VAL A 1 308 ? -0.210 3.900 -3.595 1.00 10.26 ? 308 VAL A HB 1 ATOM 4409 H HG11 . VAL A 1 308 ? 0.346 3.157 -6.094 1.00 11.74 ? 308 VAL A HG11 1 ATOM 4410 H HG12 . VAL A 1 308 ? -1.213 3.458 -6.034 1.00 11.74 ? 308 VAL A HG12 1 ATOM 4411 H HG13 . VAL A 1 308 ? -0.169 4.584 -5.623 1.00 11.74 ? 308 VAL A HG13 1 ATOM 4412 H HG21 . VAL A 1 308 ? -1.683 1.706 -3.470 1.00 10.04 ? 308 VAL A HG21 1 ATOM 4413 H HG22 . VAL A 1 308 ? -2.151 3.182 -3.115 1.00 10.04 ? 308 VAL A HG22 1 ATOM 4414 H HG23 . VAL A 1 308 ? -2.331 2.626 -4.592 1.00 10.04 ? 308 VAL A HG23 1 ATOM 4415 N N . ALA A 1 309 ? 2.808 3.205 -4.074 1.00 7.35 ? 309 ALA A N 1 ATOM 4416 C CA . ALA A 1 309 ? 4.104 3.502 -4.674 1.00 6.83 ? 309 ALA A CA 1 ATOM 4417 C C . ALA A 1 309 ? 5.140 2.429 -4.352 1.00 7.21 ? 309 ALA A C 1 ATOM 4418 O O . ALA A 1 309 ? 5.869 1.975 -5.236 1.00 7.88 ? 309 ALA A O 1 ATOM 4419 C CB . ALA A 1 309 ? 4.620 4.835 -4.195 1.00 8.40 ? 309 ALA A CB 1 ATOM 4420 H H . ALA A 1 309 ? 2.643 3.643 -3.352 1.00 8.82 ? 309 ALA A H 1 ATOM 4421 H HA . ALA A 1 309 ? 4.004 3.546 -5.638 1.00 8.20 ? 309 ALA A HA 1 ATOM 4422 H HB1 . ALA A 1 309 ? 3.987 5.526 -4.446 1.00 10.08 ? 309 ALA A HB1 1 ATOM 4423 H HB2 . ALA A 1 309 ? 4.715 4.808 -3.230 1.00 10.08 ? 309 ALA A HB2 1 ATOM 4424 H HB3 . ALA A 1 309 ? 5.480 5.007 -4.609 1.00 10.08 ? 309 ALA A HB3 1 ATOM 4425 N N . LEU A 1 310 ? 5.240 2.052 -3.079 1.00 6.97 ? 310 LEU A N 1 ATOM 4426 C CA . LEU A 1 310 ? 6.314 1.155 -2.673 1.00 7.65 ? 310 LEU A CA 1 ATOM 4427 C C . LEU A 1 310 ? 6.215 -0.220 -3.301 1.00 7.62 ? 310 LEU A C 1 ATOM 4428 O O . LEU A 1 310 ? 7.234 -0.820 -3.600 1.00 7.37 ? 310 LEU A O 1 ATOM 4429 C CB . LEU A 1 310 ? 6.407 1.031 -1.151 1.00 8.22 ? 310 LEU A CB 1 ATOM 4430 C CG . LEU A 1 310 ? 6.577 2.350 -0.390 1.00 9.60 ? 310 LEU A CG 1 ATOM 4431 C CD1 . LEU A 1 310 ? 6.685 2.077 1.096 1.00 10.77 ? 310 LEU A CD1 1 ATOM 4432 C CD2 . LEU A 1 310 ? 7.802 3.138 -0.859 1.00 10.14 ? 310 LEU A CD2 1 ATOM 4433 H H . LEU A 1 310 ? 4.712 2.296 -2.445 1.00 8.37 ? 310 LEU A H 1 ATOM 4434 H HA . LEU A 1 310 ? 7.152 1.541 -2.975 1.00 9.17 ? 310 LEU A HA 1 ATOM 4435 H HB2 . LEU A 1 310 ? 5.595 0.610 -0.828 1.00 9.86 ? 310 LEU A HB2 1 ATOM 4436 H HB3 . LEU A 1 310 ? 7.169 0.471 -0.935 1.00 9.86 ? 310 LEU A HB3 1 ATOM 4437 H HG . LEU A 1 310 ? 5.792 2.901 -0.537 1.00 11.51 ? 310 LEU A HG 1 ATOM 4438 H HD11 . LEU A 1 310 ? 5.876 1.632 1.394 1.00 12.93 ? 310 LEU A HD11 1 ATOM 4439 H HD12 . LEU A 1 310 ? 7.454 1.509 1.257 1.00 12.93 ? 310 LEU A HD12 1 ATOM 4440 H HD13 . LEU A 1 310 ? 6.791 2.919 1.564 1.00 12.93 ? 310 LEU A HD13 1 ATOM 4441 H HD21 . LEU A 1 310 ? 7.704 3.341 -1.802 1.00 12.17 ? 310 LEU A HD21 1 ATOM 4442 H HD22 . LEU A 1 310 ? 7.862 3.960 -0.348 1.00 12.17 ? 310 LEU A HD22 1 ATOM 4443 H HD23 . LEU A 1 310 ? 8.596 2.600 -0.716 1.00 12.17 ? 310 LEU A HD23 1 ATOM 4444 N N A LYS A 1 311 ? 4.994 -0.703 -3.530 0.49 7.39 ? 311 LYS A N 1 ATOM 4445 N N B LYS A 1 311 ? 5.005 -0.718 -3.536 0.51 7.61 ? 311 LYS A N 1 ATOM 4446 C CA A LYS A 1 311 ? 4.826 -2.041 -4.097 0.49 7.53 ? 311 LYS A CA 1 ATOM 4447 C CA B LYS A 1 311 ? 4.887 -2.065 -4.093 0.51 7.78 ? 311 LYS A CA 1 ATOM 4448 C C A LYS A 1 311 ? 5.329 -2.132 -5.543 0.49 7.23 ? 311 LYS A C 1 ATOM 4449 C C B LYS A 1 311 ? 5.248 -2.140 -5.581 0.51 7.40 ? 311 LYS A C 1 ATOM 4450 O O A LYS A 1 311 ? 5.600 -3.226 -6.037 0.49 7.45 ? 311 LYS A O 1 ATOM 4451 O O B LYS A 1 311 ? 5.331 -3.233 -6.143 0.51 7.59 ? 311 LYS A O 1 ATOM 4452 C CB A LYS A 1 311 ? 3.370 -2.517 -3.991 0.49 8.29 ? 311 LYS A CB 1 ATOM 4453 C CB B LYS A 1 311 ? 3.503 -2.655 -3.835 0.51 8.67 ? 311 LYS A CB 1 ATOM 4454 C CG A LYS A 1 311 ? 2.409 -1.889 -4.992 0.49 7.50 ? 311 LYS A CG 1 ATOM 4455 C CG B LYS A 1 311 ? 2.379 -2.089 -4.680 0.51 8.60 ? 311 LYS A CG 1 ATOM 4456 C CD A LYS A 1 311 ? 0.988 -2.445 -4.838 0.49 8.33 ? 311 LYS A CD 1 ATOM 4457 C CD B LYS A 1 311 ? 1.053 -2.520 -4.076 0.51 9.70 ? 311 LYS A CD 1 ATOM 4458 C CE A LYS A 1 311 ? 0.290 -1.895 -3.611 0.49 7.89 ? 311 LYS A CE 1 ATOM 4459 C CE B LYS A 1 311 ? -0.129 -2.093 -4.904 0.51 10.34 ? 311 LYS A CE 1 ATOM 4460 N NZ A LYS A 1 311 ? -1.144 -2.327 -3.559 0.49 8.23 ? 311 LYS A NZ 1 ATOM 4461 N NZ B LYS A 1 311 ? -1.362 -2.594 -4.252 0.51 10.37 ? 311 LYS A NZ 1 ATOM 4462 H H A LYS A 1 311 ? 4.260 -0.285 -3.369 0.49 8.87 ? 311 LYS A H 1 ATOM 4463 H H B LYS A 1 311 ? 4.260 -0.314 -3.390 0.51 9.13 ? 311 LYS A H 1 ATOM 4464 H HA A LYS A 1 311 ? 5.363 -2.656 -3.572 0.49 9.04 ? 311 LYS A HA 1 ATOM 4465 H HA B LYS A 1 311 ? 5.521 -2.630 -3.625 0.51 9.33 ? 311 LYS A HA 1 ATOM 4466 H HB2 A LYS A 1 311 ? 3.349 -3.477 -4.130 0.49 9.95 ? 311 LYS A HB2 1 ATOM 4467 H HB2 B LYS A 1 311 ? 3.541 -3.610 -4.006 0.51 10.40 ? 311 LYS A HB2 1 ATOM 4468 H HB3 A LYS A 1 311 ? 3.042 -2.310 -3.102 0.49 9.95 ? 311 LYS A HB3 1 ATOM 4469 H HB3 B LYS A 1 311 ? 3.273 -2.502 -2.905 0.51 10.40 ? 311 LYS A HB3 1 ATOM 4470 H HG2 A LYS A 1 311 ? 2.378 -0.930 -4.847 0.49 9.00 ? 311 LYS A HG2 1 ATOM 4471 H HG2 B LYS A 1 311 ? 2.423 -1.120 -4.679 0.51 10.32 ? 311 LYS A HG2 1 ATOM 4472 H HG3 A LYS A 1 311 ? 2.715 -2.081 -5.893 0.49 9.00 ? 311 LYS A HG3 1 ATOM 4473 H HG3 B LYS A 1 311 ? 2.439 -2.436 -5.584 0.51 10.32 ? 311 LYS A HG3 1 ATOM 4474 H HD2 A LYS A 1 311 ? 0.465 -2.202 -5.618 0.49 10.00 ? 311 LYS A HD2 1 ATOM 4475 H HD2 B LYS A 1 311 ? 1.037 -3.488 -4.007 0.51 11.64 ? 311 LYS A HD2 1 ATOM 4476 H HD3 A LYS A 1 311 ? 1.032 -3.410 -4.753 0.49 10.00 ? 311 LYS A HD3 1 ATOM 4477 H HD3 B LYS A 1 311 ? 0.962 -2.123 -3.196 0.51 11.64 ? 311 LYS A HD3 1 ATOM 4478 H HE2 A LYS A 1 311 ? 0.736 -2.223 -2.814 0.49 9.47 ? 311 LYS A HE2 1 ATOM 4479 H HE2 B LYS A 1 311 ? -0.169 -1.125 -4.948 0.51 12.41 ? 311 LYS A HE2 1 ATOM 4480 H HE3 A LYS A 1 311 ? 0.316 -0.925 -3.636 0.49 9.47 ? 311 LYS A HE3 1 ATOM 4481 H HE3 B LYS A 1 311 ? -0.066 -2.478 -5.792 0.51 12.41 ? 311 LYS A HE3 1 ATOM 4482 H HZ1 A LYS A 1 311 ? -1.576 -2.035 -4.281 0.49 9.87 ? 311 LYS A HZ1 1 ATOM 4483 H HZ1 B LYS A 1 311 ? -1.431 -2.256 -3.432 0.51 12.45 ? 311 LYS A HZ1 1 ATOM 4484 H HZ2 A LYS A 1 311 ? -1.193 -3.215 -3.533 0.49 9.87 ? 311 LYS A HZ2 1 ATOM 4485 H HZ2 B LYS A 1 311 ? -2.076 -2.353 -4.726 0.51 12.45 ? 311 LYS A HZ2 1 ATOM 4486 H HZ3 A LYS A 1 311 ? -1.536 -1.994 -2.833 0.49 9.87 ? 311 LYS A HZ3 1 ATOM 4487 H HZ3 B LYS A 1 311 ? -1.337 -3.482 -4.198 0.51 12.45 ? 311 LYS A HZ3 1 ATOM 4488 N N . ALA A 1 312 ? 5.457 -0.985 -6.209 1.00 7.22 ? 312 ALA A N 1 ATOM 4489 C CA . ALA A 1 312 ? 6.003 -0.946 -7.556 1.00 7.54 ? 312 ALA A CA 1 ATOM 4490 C C . ALA A 1 312 ? 7.547 -1.079 -7.562 1.00 8.19 ? 312 ALA A C 1 ATOM 4491 O O . ALA A 1 312 ? 8.150 -1.116 -8.636 1.00 10.07 ? 312 ALA A O 1 ATOM 4492 C CB . ALA A 1 312 ? 5.591 0.322 -8.265 1.00 8.77 ? 312 ALA A CB 1 ATOM 4493 H H A ALA A 1 312 ? 5.233 -0.215 -5.898 0.49 8.66 ? 312 ALA A H 1 ATOM 4494 H H B ALA A 1 312 ? 5.290 -0.210 -5.874 0.51 8.66 ? 312 ALA A H 1 ATOM 4495 H HA . ALA A 1 312 ? 5.641 -1.693 -8.058 1.00 9.05 ? 312 ALA A HA 1 ATOM 4496 H HB1 . ALA A 1 312 ? 5.968 0.320 -9.159 1.00 10.53 ? 312 ALA A HB1 1 ATOM 4497 H HB2 . ALA A 1 312 ? 4.622 0.355 -8.315 1.00 10.53 ? 312 ALA A HB2 1 ATOM 4498 H HB3 . ALA A 1 312 ? 5.924 1.084 -7.767 1.00 10.53 ? 312 ALA A HB3 1 ATOM 4499 N N . ALA A 1 313 ? 8.182 -1.140 -6.390 1.00 7.77 ? 313 ALA A N 1 ATOM 4500 C CA . ALA A 1 313 ? 9.640 -1.119 -6.298 1.00 7.91 ? 313 ALA A CA 1 ATOM 4501 C C . ALA A 1 313 ? 10.147 -2.157 -5.305 1.00 7.56 ? 313 ALA A C 1 ATOM 4502 O O . ALA A 1 313 ? 9.419 -2.664 -4.455 1.00 8.01 ? 313 ALA A O 1 ATOM 4503 C CB . ALA A 1 313 ? 10.115 0.269 -5.858 1.00 9.65 ? 313 ALA A CB 1 ATOM 4504 H H . ALA A 1 313 ? 7.786 -1.195 -5.629 1.00 9.32 ? 313 ALA A H 1 ATOM 4505 H HA . ALA A 1 313 ? 10.022 -1.313 -7.168 1.00 9.50 ? 313 ALA A HA 1 ATOM 4506 H HB1 . ALA A 1 313 ? 11.083 0.267 -5.801 1.00 11.58 ? 313 ALA A HB1 1 ATOM 4507 H HB2 . ALA A 1 313 ? 9.822 0.923 -6.511 1.00 11.58 ? 313 ALA A HB2 1 ATOM 4508 H HB3 . ALA A 1 313 ? 9.732 0.472 -4.990 1.00 11.58 ? 313 ALA A HB3 1 ATOM 4509 N N . PHE A 1 314 ? 11.440 -2.432 -5.416 1.00 7.61 ? 314 PHE A N 1 ATOM 4510 C CA . PHE A 1 314 ? 12.216 -3.075 -4.363 1.00 7.89 ? 314 PHE A CA 1 ATOM 4511 C C . PHE A 1 314 ? 12.866 -1.922 -3.604 1.00 7.52 ? 314 PHE A C 1 ATOM 4512 O O . PHE A 1 314 ? 13.576 -1.117 -4.218 1.00 8.25 ? 314 PHE A O 1 ATOM 4513 C CB . PHE A 1 314 ? 13.262 -3.988 -4.997 1.00 7.99 ? 314 PHE A CB 1 ATOM 4514 C CG . PHE A 1 314 ? 14.175 -4.661 -4.010 1.00 7.85 ? 314 PHE A CG 1 ATOM 4515 C CD1 . PHE A 1 314 ? 13.812 -5.857 -3.408 1.00 9.11 ? 314 PHE A CD1 1 ATOM 4516 C CD2 . PHE A 1 314 ? 15.400 -4.101 -3.681 1.00 8.78 ? 314 PHE A CD2 1 ATOM 4517 C CE1 . PHE A 1 314 ? 14.662 -6.494 -2.509 1.00 9.87 ? 314 PHE A CE1 1 ATOM 4518 C CE2 . PHE A 1 314 ? 16.253 -4.733 -2.784 1.00 10.02 ? 314 PHE A CE2 1 ATOM 4519 C CZ . PHE A 1 314 ? 15.884 -5.924 -2.198 1.00 9.82 ? 314 PHE A CZ 1 ATOM 4520 H H . PHE A 1 314 ? 11.906 -2.249 -6.116 1.00 9.13 ? 314 PHE A H 1 ATOM 4521 H HA . PHE A 1 314 ? 11.643 -3.585 -3.769 1.00 9.46 ? 314 PHE A HA 1 ATOM 4522 H HB2 . PHE A 1 314 ? 12.806 -4.682 -5.498 1.00 9.59 ? 314 PHE A HB2 1 ATOM 4523 H HB3 . PHE A 1 314 ? 13.813 -3.460 -5.596 1.00 9.59 ? 314 PHE A HB3 1 ATOM 4524 H HD1 . PHE A 1 314 ? 12.995 -6.247 -3.621 1.00 10.93 ? 314 PHE A HD1 1 ATOM 4525 H HD2 . PHE A 1 314 ? 15.661 -3.302 -4.078 1.00 10.53 ? 314 PHE A HD2 1 ATOM 4526 H HE1 . PHE A 1 314 ? 14.407 -7.296 -2.113 1.00 11.84 ? 314 PHE A HE1 1 ATOM 4527 H HE2 . PHE A 1 314 ? 17.072 -4.347 -2.573 1.00 12.03 ? 314 PHE A HE2 1 ATOM 4528 H HZ . PHE A 1 314 ? 16.452 -6.340 -1.591 1.00 11.78 ? 314 PHE A HZ 1 ATOM 4529 N N . VAL A 1 315 ? 12.593 -1.825 -2.302 1.00 7.30 ? 315 VAL A N 1 ATOM 4530 C CA . VAL A 1 315 ? 12.970 -0.652 -1.529 1.00 7.59 ? 315 VAL A CA 1 ATOM 4531 C C . VAL A 1 315 ? 13.934 -1.024 -0.414 1.00 7.52 ? 315 VAL A C 1 ATOM 4532 O O . VAL A 1 315 ? 13.659 -1.896 0.399 1.00 8.44 ? 315 VAL A O 1 ATOM 4533 C CB . VAL A 1 315 ? 11.737 0.067 -0.926 1.00 8.11 ? 315 VAL A CB 1 ATOM 4534 C CG1 . VAL A 1 315 ? 12.146 1.400 -0.315 1.00 9.36 ? 315 VAL A CG1 1 ATOM 4535 C CG2 . VAL A 1 315 ? 10.661 0.280 -1.982 1.00 8.32 ? 315 VAL A CG2 1 ATOM 4536 H H . VAL A 1 315 ? 12.188 -2.430 -1.845 1.00 8.76 ? 315 VAL A H 1 ATOM 4537 H HA . VAL A 1 315 ? 13.422 -0.025 -2.114 1.00 9.11 ? 315 VAL A HA 1 ATOM 4538 H HB . VAL A 1 315 ? 11.362 -0.484 -0.221 1.00 9.74 ? 315 VAL A HB 1 ATOM 4539 H HG11 . VAL A 1 315 ? 13.102 1.520 -0.432 1.00 11.23 ? 315 VAL A HG11 1 ATOM 4540 H HG12 . VAL A 1 315 ? 11.665 2.113 -0.763 1.00 11.23 ? 315 VAL A HG12 1 ATOM 4541 H HG13 . VAL A 1 315 ? 11.927 1.394 0.629 1.00 11.23 ? 315 VAL A HG13 1 ATOM 4542 H HG21 . VAL A 1 315 ? 10.971 -0.083 -2.826 1.00 9.99 ? 315 VAL A HG21 1 ATOM 4543 H HG22 . VAL A 1 315 ? 9.851 -0.175 -1.703 1.00 9.99 ? 315 VAL A HG22 1 ATOM 4544 H HG23 . VAL A 1 315 ? 10.492 1.231 -2.072 1.00 9.99 ? 315 VAL A HG23 1 ATOM 4545 N N . VAL A 1 316 ? 15.077 -0.352 -0.402 1.00 7.53 ? 316 VAL A N 1 ATOM 4546 C CA . VAL A 1 316 ? 16.116 -0.557 0.601 1.00 8.36 ? 316 VAL A CA 1 ATOM 4547 C C . VAL A 1 316 ? 16.075 0.559 1.630 1.00 8.08 ? 316 VAL A C 1 ATOM 4548 O O . VAL A 1 316 ? 16.201 1.731 1.290 1.00 8.79 ? 316 VAL A O 1 ATOM 4549 C CB . VAL A 1 316 ? 17.529 -0.603 -0.024 1.00 8.37 ? 316 VAL A CB 1 ATOM 4550 C CG1 . VAL A 1 316 ? 18.578 -0.829 1.057 1.00 9.19 ? 316 VAL A CG1 1 ATOM 4551 C CG2 . VAL A 1 316 ? 17.622 -1.691 -1.088 1.00 10.02 ? 316 VAL A CG2 1 ATOM 4552 H H . VAL A 1 316 ? 15.282 0.247 -0.983 1.00 9.04 ? 316 VAL A H 1 ATOM 4553 H HA . VAL A 1 316 ? 15.958 -1.398 1.058 1.00 10.03 ? 316 VAL A HA 1 ATOM 4554 H HB . VAL A 1 316 ? 17.714 0.249 -0.449 1.00 10.05 ? 316 VAL A HB 1 ATOM 4555 H HG11 . VAL A 1 316 ? 19.456 -0.854 0.644 1.00 11.02 ? 316 VAL A HG11 1 ATOM 4556 H HG12 . VAL A 1 316 ? 18.534 -0.101 1.696 1.00 11.02 ? 316 VAL A HG12 1 ATOM 4557 H HG13 . VAL A 1 316 ? 18.397 -1.672 1.502 1.00 11.02 ? 316 VAL A HG13 1 ATOM 4558 H HG21 . VAL A 1 316 ? 16.764 -2.139 -1.156 1.00 12.03 ? 316 VAL A HG21 1 ATOM 4559 H HG22 . VAL A 1 316 ? 17.851 -1.283 -1.937 1.00 12.03 ? 316 VAL A HG22 1 ATOM 4560 H HG23 . VAL A 1 316 ? 18.308 -2.327 -0.830 1.00 12.03 ? 316 VAL A HG23 1 ATOM 4561 N N . PHE A 1 317 ? 15.891 0.173 2.886 1.00 8.10 ? 317 PHE A N 1 ATOM 4562 C CA . PHE A 1 317 ? 15.955 1.082 4.017 1.00 7.74 ? 317 PHE A CA 1 ATOM 4563 C C . PHE A 1 317 ? 17.333 0.890 4.641 1.00 8.30 ? 317 PHE A C 1 ATOM 4564 O O . PHE A 1 317 ? 17.585 -0.073 5.369 1.00 8.91 ? 317 PHE A O 1 ATOM 4565 C CB . PHE A 1 317 ? 14.812 0.801 5.014 1.00 7.74 ? 317 PHE A CB 1 ATOM 4566 C CG . PHE A 1 317 ? 13.430 1.066 4.450 1.00 7.77 ? 317 PHE A CG 1 ATOM 4567 C CD1 . PHE A 1 317 ? 12.817 0.165 3.597 1.00 8.46 ? 317 PHE A CD1 1 ATOM 4568 C CD2 . PHE A 1 317 ? 12.757 2.238 4.753 1.00 9.05 ? 317 PHE A CD2 1 ATOM 4569 C CE1 . PHE A 1 317 ? 11.556 0.425 3.083 1.00 8.62 ? 317 PHE A CE1 1 ATOM 4570 C CE2 . PHE A 1 317 ? 11.500 2.486 4.250 1.00 9.77 ? 317 PHE A CE2 1 ATOM 4571 C CZ . PHE A 1 317 ? 10.909 1.594 3.405 1.00 9.00 ? 317 PHE A CZ 1 ATOM 4572 H H . PHE A 1 317 ? 15.722 -0.639 3.113 1.00 9.71 ? 317 PHE A H 1 ATOM 4573 H HA . PHE A 1 317 ? 15.878 1.998 3.706 1.00 9.28 ? 317 PHE A HA 1 ATOM 4574 H HB2 . PHE A 1 317 ? 14.850 -0.132 5.278 1.00 9.28 ? 317 PHE A HB2 1 ATOM 4575 H HB3 . PHE A 1 317 ? 14.929 1.368 5.792 1.00 9.28 ? 317 PHE A HB3 1 ATOM 4576 H HD1 . PHE A 1 317 ? 13.252 -0.626 3.372 1.00 10.15 ? 317 PHE A HD1 1 ATOM 4577 H HD2 . PHE A 1 317 ? 13.150 2.857 5.325 1.00 10.86 ? 317 PHE A HD2 1 ATOM 4578 H HE1 . PHE A 1 317 ? 11.151 -0.188 2.513 1.00 10.34 ? 317 PHE A HE1 1 ATOM 4579 H HE2 . PHE A 1 317 ? 11.063 3.279 4.465 1.00 11.72 ? 317 PHE A HE2 1 ATOM 4580 H HZ . PHE A 1 317 ? 10.061 1.767 3.064 1.00 10.80 ? 317 PHE A HZ 1 ATOM 4581 N N . ASN A 1 318 ? 18.241 1.797 4.301 1.00 8.54 ? 318 ASN A N 1 ATOM 4582 C CA . ASN A 1 318 ? 19.632 1.698 4.719 1.00 9.77 ? 318 ASN A CA 1 ATOM 4583 C C . ASN A 1 318 ? 19.855 2.468 6.002 1.00 9.80 ? 318 ASN A C 1 ATOM 4584 O O . ASN A 1 318 ? 19.840 3.704 6.011 1.00 10.37 ? 318 ASN A O 1 ATOM 4585 C CB . ASN A 1 318 ? 20.569 2.200 3.617 1.00 10.64 ? 318 ASN A CB 1 ATOM 4586 C CG . ASN A 1 318 ? 21.995 2.331 4.096 1.00 12.54 ? 318 ASN A CG 1 ATOM 4587 O OD1 . ASN A 1 318 ? 22.421 1.616 5.000 1.00 13.33 ? 318 ASN A OD1 1 ATOM 4588 N ND2 . ASN A 1 318 ? 22.725 3.278 3.528 1.00 14.31 ? 318 ASN A ND2 1 ATOM 4589 H H . ASN A 1 318 ? 18.072 2.490 3.820 1.00 10.25 ? 318 ASN A H 1 ATOM 4590 H HA . ASN A 1 318 ? 19.843 0.767 4.889 1.00 11.72 ? 318 ASN A HA 1 ATOM 4591 H HB2 . ASN A 1 318 ? 20.556 1.572 2.878 1.00 12.77 ? 318 ASN A HB2 1 ATOM 4592 H HB3 . ASN A 1 318 ? 20.269 3.073 3.318 1.00 12.77 ? 318 ASN A HB3 1 ATOM 4593 H HD21 . ASN A 1 318 ? 22.381 3.778 2.919 1.00 17.18 ? 318 ASN A HD21 1 ATOM 4594 H HD22 . ASN A 1 318 ? 23.543 3.392 3.767 1.00 17.18 ? 318 ASN A HD22 1 ATOM 4595 N N . GLY A 1 319 ? 20.042 1.719 7.087 1.00 11.09 ? 319 GLY A N 1 ATOM 4596 C CA . GLY A 1 319 ? 20.204 2.275 8.422 1.00 13.19 ? 319 GLY A CA 1 ATOM 4597 C C . GLY A 1 319 ? 21.641 2.429 8.873 1.00 15.12 ? 319 GLY A C 1 ATOM 4598 O O . GLY A 1 319 ? 21.940 2.355 10.063 1.00 17.08 ? 319 GLY A O 1 ATOM 4599 H H . GLY A 1 319 ? 20.080 0.860 7.070 1.00 13.31 ? 319 GLY A H 1 ATOM 4600 H HA2 . GLY A 1 319 ? 19.785 3.150 8.452 1.00 15.83 ? 319 GLY A HA2 1 ATOM 4601 H HA3 . GLY A 1 319 ? 19.750 1.702 9.059 1.00 15.83 ? 319 GLY A HA3 1 ATOM 4602 N N . ALA A 1 320 ? 22.531 2.657 7.920 1.00 15.69 ? 320 ALA A N 1 ATOM 4603 C CA . ALA A 1 320 ? 23.899 3.046 8.228 1.00 17.36 ? 320 ALA A CA 1 ATOM 4604 C C . ALA A 1 320 ? 23.922 4.385 8.971 1.00 18.39 ? 320 ALA A C 1 ATOM 4605 O O . ALA A 1 320 ? 22.890 5.049 9.124 1.00 18.24 ? 320 ALA A O 1 ATOM 4606 C CB . ALA A 1 320 ? 24.698 3.140 6.955 1.00 19.43 ? 320 ALA A CB 1 ATOM 4607 H H . ALA A 1 320 ? 22.367 2.592 7.078 1.00 18.83 ? 320 ALA A H 1 ATOM 4608 H HA . ALA A 1 320 ? 24.306 2.373 8.796 1.00 20.83 ? 320 ALA A HA 1 ATOM 4609 H HB1 . ALA A 1 320 ? 24.696 2.275 6.517 1.00 23.32 ? 320 ALA A HB1 1 ATOM 4610 H HB2 . ALA A 1 320 ? 24.292 3.805 6.377 1.00 23.32 ? 320 ALA A HB2 1 ATOM 4611 H HB3 . ALA A 1 320 ? 25.607 3.400 7.172 1.00 23.32 ? 320 ALA A HB3 1 ATOM 4612 N N . THR A 1 321 ? 25.108 4.775 9.439 1.00 20.62 ? 321 THR A N 1 ATOM 4613 C CA . THR A 1 321 ? 25.258 5.989 10.230 1.00 22.51 ? 321 THR A CA 1 ATOM 4614 C C . THR A 1 321 ? 24.589 7.198 9.589 1.00 21.61 ? 321 THR A C 1 ATOM 4615 O O . THR A 1 321 ? 23.940 7.986 10.277 1.00 23.42 ? 321 THR A O 1 ATOM 4616 C CB . THR A 1 321 ? 26.749 6.289 10.481 1.00 24.74 ? 321 THR A CB 1 ATOM 4617 O OG1 . THR A 1 321 ? 27.359 5.142 11.079 1.00 27.33 ? 321 THR A OG1 1 ATOM 4618 C CG2 . THR A 1 321 ? 26.915 7.479 11.406 1.00 25.90 ? 321 THR A CG2 1 ATOM 4619 H H . THR A 1 321 ? 25.844 4.348 9.310 1.00 24.75 ? 321 THR A H 1 ATOM 4620 H HA . THR A 1 321 ? 24.840 5.848 11.093 1.00 27.01 ? 321 THR A HA 1 ATOM 4621 H HB . THR A 1 321 ? 27.187 6.489 9.639 1.00 29.69 ? 321 THR A HB 1 ATOM 4622 H HG1 . THR A 1 321 ? 28.173 5.291 11.221 1.00 32.80 ? 321 THR A HG1 1 ATOM 4623 H HG21 . THR A 1 321 ? 26.506 8.265 11.012 1.00 31.07 ? 321 THR A HG21 1 ATOM 4624 H HG22 . THR A 1 321 ? 26.491 7.296 12.259 1.00 31.07 ? 321 THR A HG22 1 ATOM 4625 H HG23 . THR A 1 321 ? 27.857 7.654 11.554 1.00 31.07 ? 321 THR A HG23 1 ATOM 4626 N N . THR A 1 322 ? 24.756 7.338 8.278 1.00 19.54 ? 322 THR A N 1 ATOM 4627 C CA . THR A 1 322 ? 23.983 8.290 7.491 1.00 18.32 ? 322 THR A CA 1 ATOM 4628 C C . THR A 1 322 ? 22.960 7.469 6.699 1.00 15.93 ? 322 THR A C 1 ATOM 4629 O O . THR A 1 322 ? 23.312 6.828 5.713 1.00 16.29 ? 322 THR A O 1 ATOM 4630 C CB . THR A 1 322 ? 24.875 9.082 6.534 1.00 20.95 ? 322 THR A CB 1 ATOM 4631 O OG1 . THR A 1 322 ? 25.793 9.873 7.305 1.00 22.47 ? 322 THR A OG1 1 ATOM 4632 C CG2 . THR A 1 322 ? 24.064 10.002 5.645 1.00 23.09 ? 322 THR A CG2 1 ATOM 4633 H H . THR A 1 322 ? 25.320 6.885 7.814 1.00 23.45 ? 322 THR A H 1 ATOM 4634 H HA . THR A 1 322 ? 23.515 8.907 8.075 1.00 21.99 ? 322 THR A HA 1 ATOM 4635 H HB . THR A 1 322 ? 25.372 8.468 5.971 1.00 25.14 ? 322 THR A HB 1 ATOM 4636 H HG1 . THR A 1 322 ? 26.292 10.315 6.793 1.00 26.97 ? 322 THR A HG1 1 ATOM 4637 H HG21 . THR A 1 322 ? 23.440 9.483 5.114 1.00 27.71 ? 322 THR A HG21 1 ATOM 4638 H HG22 . THR A 1 322 ? 23.568 10.635 6.187 1.00 27.71 ? 322 THR A HG22 1 ATOM 4639 H HG23 . THR A 1 322 ? 24.654 10.491 5.049 1.00 27.71 ? 322 THR A HG23 1 ATOM 4640 N N . PRO A 1 323 ? 21.698 7.442 7.146 1.00 13.54 ? 323 PRO A N 1 ATOM 4641 C CA A PRO A 1 323 ? 20.725 6.604 6.438 0.44 12.29 ? 323 PRO A CA 1 ATOM 4642 C CA B PRO A 1 323 ? 20.726 6.606 6.435 0.56 11.96 ? 323 PRO A CA 1 ATOM 4643 C C . PRO A 1 323 ? 20.427 7.086 5.018 1.00 11.15 ? 323 PRO A C 1 ATOM 4644 O O . PRO A 1 323 ? 20.509 8.289 4.730 1.00 11.90 ? 323 PRO A O 1 ATOM 4645 C CB A PRO A 1 323 ? 19.469 6.708 7.314 0.44 12.96 ? 323 PRO A CB 1 ATOM 4646 C CB B PRO A 1 323 ? 19.474 6.711 7.313 0.56 12.19 ? 323 PRO A CB 1 ATOM 4647 C CG A PRO A 1 323 ? 19.596 8.005 8.016 0.44 14.00 ? 323 PRO A CG 1 ATOM 4648 C CG B PRO A 1 323 ? 20.006 6.957 8.677 0.56 13.06 ? 323 PRO A CG 1 ATOM 4649 C CD A PRO A 1 323 ? 21.077 8.198 8.248 0.44 14.51 ? 323 PRO A CD 1 ATOM 4650 C CD B PRO A 1 323 ? 21.176 7.879 8.453 0.56 14.07 ? 323 PRO A CD 1 ATOM 4651 H HA . PRO A 1 323 ? 21.026 5.683 6.411 1.00 14.35 ? 323 PRO A HA 1 ATOM 4652 H HB2 A PRO A 1 323 ? 18.678 6.697 6.753 0.44 15.55 ? 323 PRO A HB2 1 ATOM 4653 H HB2 B PRO A 1 323 ? 18.925 7.455 7.017 0.56 14.62 ? 323 PRO A HB2 1 ATOM 4654 H HB3 A PRO A 1 323 ? 19.452 5.974 7.948 0.44 15.55 ? 323 PRO A HB3 1 ATOM 4655 H HB3 B PRO A 1 323 ? 18.977 5.879 7.280 0.56 14.62 ? 323 PRO A HB3 1 ATOM 4656 H HG2 A PRO A 1 323 ? 19.243 8.714 7.457 0.44 16.80 ? 323 PRO A HG2 1 ATOM 4657 H HG2 B PRO A 1 323 ? 19.328 7.384 9.223 0.56 15.68 ? 323 PRO A HG2 1 ATOM 4658 H HG3 A PRO A 1 323 ? 19.121 7.965 8.861 0.44 16.80 ? 323 PRO A HG3 1 ATOM 4659 H HG3 B PRO A 1 323 ? 20.296 6.120 9.073 0.56 15.68 ? 323 PRO A HG3 1 ATOM 4660 H HD2 A PRO A 1 323 ? 21.309 9.138 8.186 0.44 17.41 ? 323 PRO A HD2 1 ATOM 4661 H HD2 B PRO A 1 323 ? 20.877 8.801 8.408 0.56 16.88 ? 323 PRO A HD2 1 ATOM 4662 H HD3 A PRO A 1 323 ? 21.337 7.823 9.104 0.44 17.41 ? 323 PRO A HD3 1 ATOM 4663 H HD3 B PRO A 1 323 ? 21.844 7.753 9.144 0.56 16.88 ? 323 PRO A HD3 1 ATOM 4664 N N . THR A 1 324 ? 20.072 6.148 4.147 1.00 9.77 ? 324 THR A N 1 ATOM 4665 C CA . THR A 1 324 ? 19.636 6.454 2.793 1.00 9.51 ? 324 THR A CA 1 ATOM 4666 C C . THR A 1 324 ? 18.509 5.491 2.419 1.00 8.98 ? 324 THR A C 1 ATOM 4667 O O . THR A 1 324 ? 18.247 4.517 3.139 1.00 9.35 ? 324 THR A O 1 ATOM 4668 C CB . THR A 1 324 ? 20.774 6.328 1.754 1.00 10.66 ? 324 THR A CB 1 ATOM 4669 O OG1 . THR A 1 324 ? 21.201 4.960 1.684 1.00 11.26 ? 324 THR A OG1 1 ATOM 4670 C CG2 . THR A 1 324 ? 21.939 7.265 2.085 1.00 12.31 ? 324 THR A CG2 1 ATOM 4671 H H . THR A 1 324 ? 20.076 5.306 4.323 1.00 11.72 ? 324 THR A H 1 ATOM 4672 H HA . THR A 1 324 ? 19.291 7.360 2.761 1.00 11.42 ? 324 THR A HA 1 ATOM 4673 H HB . THR A 1 324 ? 20.429 6.587 0.886 1.00 12.79 ? 324 THR A HB 1 ATOM 4674 H HG1 . THR A 1 324 ? 21.820 4.881 1.122 1.00 13.51 ? 324 THR A HG1 1 ATOM 4675 H HG21 . THR A 1 324 ? 22.301 7.049 2.959 1.00 14.77 ? 324 THR A HG21 1 ATOM 4676 H HG22 . THR A 1 324 ? 22.640 7.169 1.421 1.00 14.77 ? 324 THR A HG22 1 ATOM 4677 H HG23 . THR A 1 324 ? 21.633 8.185 2.089 1.00 14.77 ? 324 THR A HG23 1 ATOM 4678 N N . LEU A 1 325 ? 17.854 5.782 1.297 1.00 9.33 ? 325 LEU A N 1 ATOM 4679 C CA A LEU A 1 325 ? 16.809 4.918 0.748 0.71 8.87 ? 325 LEU A CA 1 ATOM 4680 C CA B LEU A 1 325 ? 16.795 4.949 0.761 0.29 9.35 ? 325 LEU A CA 1 ATOM 4681 C C . LEU A 1 325 ? 17.213 4.523 -0.649 1.00 8.92 ? 325 LEU A C 1 ATOM 4682 O O . LEU A 1 325 ? 17.709 5.347 -1.413 1.00 11.24 ? 325 LEU A O 1 ATOM 4683 C CB A LEU A 1 325 ? 15.460 5.627 0.631 0.71 10.06 ? 325 LEU A CB 1 ATOM 4684 C CB B LEU A 1 325 ? 15.506 5.771 0.726 0.29 10.51 ? 325 LEU A CB 1 ATOM 4685 C CG A LEU A 1 325 ? 14.541 5.666 1.835 0.71 10.38 ? 325 LEU A CG 1 ATOM 4686 C CG B LEU A 1 325 ? 14.140 5.124 0.524 0.29 10.81 ? 325 LEU A CG 1 ATOM 4687 C CD1 A LEU A 1 325 ? 13.400 6.643 1.573 0.71 10.86 ? 325 LEU A CD1 1 ATOM 4688 C CD1 B LEU A 1 325 ? 13.840 4.125 1.619 0.29 10.74 ? 325 LEU A CD1 1 ATOM 4689 C CD2 A LEU A 1 325 ? 14.009 4.278 2.158 0.71 10.76 ? 325 LEU A CD2 1 ATOM 4690 C CD2 B LEU A 1 325 ? 13.076 6.216 0.497 0.29 11.40 ? 325 LEU A CD2 1 ATOM 4691 H H A LEU A 1 325 ? 17.999 6.486 0.826 0.71 11.20 ? 325 LEU A H 1 ATOM 4692 H H B LEU A 1 325 ? 18.014 6.478 0.818 0.29 11.20 ? 325 LEU A H 1 ATOM 4693 H HA A LEU A 1 325 ? 16.708 4.121 1.291 0.71 10.64 ? 325 LEU A HA 1 ATOM 4694 H HA B LEU A 1 325 ? 16.666 4.162 1.315 0.29 11.22 ? 325 LEU A HA 1 ATOM 4695 H HB2 A LEU A 1 325 ? 15.634 6.549 0.384 0.71 12.07 ? 325 LEU A HB2 1 ATOM 4696 H HB2 B LEU A 1 325 ? 15.452 6.251 1.567 0.29 12.62 ? 325 LEU A HB2 1 ATOM 4697 H HB3 A LEU A 1 325 ? 14.964 5.200 -0.084 0.71 12.07 ? 325 LEU A HB3 1 ATOM 4698 H HB3 B LEU A 1 325 ? 15.602 6.419 0.010 0.29 12.62 ? 325 LEU A HB3 1 ATOM 4699 H HG A LEU A 1 325 ? 15.039 5.984 2.604 0.71 12.45 ? 325 LEU A HG 1 ATOM 4700 H HG B LEU A 1 325 ? 14.126 4.660 -0.327 0.29 12.98 ? 325 LEU A HG 1 ATOM 4701 H HD11 A LEU A 1 325 ? 12.817 6.662 2.348 0.71 13.03 ? 325 LEU A HD11 1 ATOM 4702 H HD11 B LEU A 1 325 ? 13.846 4.582 2.474 0.29 12.88 ? 325 LEU A HD11 1 ATOM 4703 H HD12 A LEU A 1 325 ? 13.771 7.526 1.416 0.71 13.03 ? 325 LEU A HD12 1 ATOM 4704 H HD12 B LEU A 1 325 ? 12.966 3.734 1.459 0.29 12.88 ? 325 LEU A HD12 1 ATOM 4705 H HD13 A LEU A 1 325 ? 12.905 6.348 0.793 0.71 13.03 ? 325 LEU A HD13 1 ATOM 4706 H HD13 B LEU A 1 325 ? 14.519 3.432 1.609 0.29 12.88 ? 325 LEU A HD13 1 ATOM 4707 H HD21 A LEU A 1 325 ? 14.757 3.691 2.351 0.71 12.92 ? 325 LEU A HD21 1 ATOM 4708 H HD21 B LEU A 1 325 ? 12.206 5.806 0.369 0.29 13.69 ? 325 LEU A HD21 1 ATOM 4709 H HD22 A LEU A 1 325 ? 13.426 4.336 2.931 0.71 12.92 ? 325 LEU A HD22 1 ATOM 4710 H HD22 B LEU A 1 325 ? 13.095 6.696 1.340 0.29 13.69 ? 325 LEU A HD22 1 ATOM 4711 H HD23 A LEU A 1 325 ? 13.514 3.944 1.394 0.71 12.92 ? 325 LEU A HD23 1 ATOM 4712 H HD23 B LEU A 1 325 ? 13.266 6.824 -0.235 0.29 13.69 ? 325 LEU A HD23 1 ATOM 4713 N N . GLY A 1 326 ? 16.994 3.256 -0.989 1.00 8.24 ? 326 GLY A N 1 ATOM 4714 C CA . GLY A 1 326 ? 17.247 2.756 -2.326 1.00 8.17 ? 326 GLY A CA 1 ATOM 4715 C C . GLY A 1 326 ? 15.977 2.259 -2.987 1.00 7.86 ? 326 GLY A C 1 ATOM 4716 O O . GLY A 1 326 ? 15.151 1.629 -2.341 1.00 9.09 ? 326 GLY A O 1 ATOM 4717 H H . GLY A 1 326 ? 16.692 2.659 -0.449 1.00 9.88 ? 326 GLY A H 1 ATOM 4718 H HA2 . GLY A 1 326 ? 17.625 3.463 -2.872 1.00 9.81 ? 326 GLY A HA2 1 ATOM 4719 H HA3 . GLY A 1 326 ? 17.882 2.024 -2.284 1.00 9.81 ? 326 GLY A HA3 1 ATOM 4720 N N . PHE A 1 327 ? 15.830 2.530 -4.277 1.00 7.68 ? 327 PHE A N 1 ATOM 4721 C CA . PHE A 1 327 ? 14.703 2.028 -5.062 1.00 7.67 ? 327 PHE A CA 1 ATOM 4722 C C . PHE A 1 327 ? 15.207 1.348 -6.327 1.00 7.86 ? 327 PHE A C 1 ATOM 4723 O O . PHE A 1 327 ? 16.035 1.900 -7.044 1.00 9.15 ? 327 PHE A O 1 ATOM 4724 C CB . PHE A 1 327 ? 13.778 3.159 -5.518 1.00 8.45 ? 327 PHE A CB 1 ATOM 4725 C CG . PHE A 1 327 ? 13.014 3.838 -4.412 1.00 9.22 ? 327 PHE A CG 1 ATOM 4726 C CD1 . PHE A 1 327 ? 13.610 4.821 -3.633 1.00 10.59 ? 327 PHE A CD1 1 ATOM 4727 C CD2 . PHE A 1 327 ? 11.682 3.522 -4.177 1.00 10.18 ? 327 PHE A CD2 1 ATOM 4728 C CE1 . PHE A 1 327 ? 12.905 5.455 -2.632 1.00 11.58 ? 327 PHE A CE1 1 ATOM 4729 C CE2 . PHE A 1 327 ? 10.963 4.164 -3.172 1.00 11.19 ? 327 PHE A CE2 1 ATOM 4730 C CZ . PHE A 1 327 ? 11.580 5.134 -2.405 1.00 11.73 ? 327 PHE A CZ 1 ATOM 4731 H H . PHE A 1 327 ? 16.378 3.012 -4.731 1.00 9.22 ? 327 PHE A H 1 ATOM 4732 H HA . PHE A 1 327 ? 14.191 1.389 -4.541 1.00 9.20 ? 327 PHE A HA 1 ATOM 4733 H HB2 . PHE A 1 327 ? 14.314 3.836 -5.962 1.00 10.14 ? 327 PHE A HB2 1 ATOM 4734 H HB3 . PHE A 1 327 ? 13.131 2.796 -6.142 1.00 10.14 ? 327 PHE A HB3 1 ATOM 4735 H HD1 . PHE A 1 327 ? 14.500 5.047 -3.781 1.00 12.71 ? 327 PHE A HD1 1 ATOM 4736 H HD2 . PHE A 1 327 ? 11.265 2.873 -4.697 1.00 12.21 ? 327 PHE A HD2 1 ATOM 4737 H HE1 . PHE A 1 327 ? 13.319 6.108 -2.114 1.00 13.89 ? 327 PHE A HE1 1 ATOM 4738 H HE2 . PHE A 1 327 ? 10.073 3.942 -3.018 1.00 13.43 ? 327 PHE A HE2 1 ATOM 4739 H HZ . PHE A 1 327 ? 11.108 5.561 -1.727 1.00 14.08 ? 327 PHE A HZ 1 ATOM 4740 N N . ALA A 1 328 ? 14.665 0.169 -6.610 1.00 7.88 ? 328 ALA A N 1 ATOM 4741 C CA . ALA A 1 328 ? 14.881 -0.509 -7.877 1.00 8.89 ? 328 ALA A CA 1 ATOM 4742 C C . ALA A 1 328 ? 13.551 -0.947 -8.456 1.00 8.22 ? 328 ALA A C 1 ATOM 4743 O O . ALA A 1 328 ? 12.582 -1.222 -7.730 1.00 8.34 ? 328 ALA A O 1 ATOM 4744 C CB . ALA A 1 328 ? 15.775 -1.736 -7.673 1.00 9.26 ? 328 ALA A CB 1 ATOM 4745 H H . ALA A 1 328 ? 14.157 -0.267 -6.070 1.00 9.45 ? 328 ALA A H 1 ATOM 4746 H HA . ALA A 1 328 ? 15.314 0.093 -8.503 1.00 10.67 ? 328 ALA A HA 1 ATOM 4747 H HB1 . ALA A 1 328 ? 16.628 -1.449 -7.311 1.00 11.11 ? 328 ALA A HB1 1 ATOM 4748 H HB2 . ALA A 1 328 ? 15.340 -2.343 -7.053 1.00 11.11 ? 328 ALA A HB2 1 ATOM 4749 H HB3 . ALA A 1 328 ? 15.908 -2.175 -8.527 1.00 11.11 ? 328 ALA A HB3 1 ATOM 4750 N N A SER A 1 329 ? 13.506 -1.045 -9.779 0.24 9.04 ? 329 SER A N 1 ATOM 4751 N N B SER A 1 329 ? 13.481 -1.013 -9.776 0.76 9.48 ? 329 SER A N 1 ATOM 4752 C CA A SER A 1 329 ? 12.395 -1.701 -10.452 0.24 9.49 ? 329 SER A CA 1 ATOM 4753 C CA B SER A 1 329 ? 12.354 -1.677 -10.417 0.76 9.74 ? 329 SER A CA 1 ATOM 4754 C C A SER A 1 329 ? 12.429 -3.189 -10.124 0.24 9.69 ? 329 SER A C 1 ATOM 4755 C C B SER A 1 329 ? 12.447 -3.191 -10.192 0.76 9.94 ? 329 SER A C 1 ATOM 4756 O O A SER A 1 329 ? 13.425 -3.696 -9.608 0.24 10.04 ? 329 SER A O 1 ATOM 4757 O O B SER A 1 329 ? 13.502 -3.718 -9.814 0.76 10.67 ? 329 SER A O 1 ATOM 4758 C CB A SER A 1 329 ? 12.505 -1.507 -11.962 0.24 9.86 ? 329 SER A CB 1 ATOM 4759 C CB B SER A 1 329 ? 12.340 -1.352 -11.905 0.76 10.69 ? 329 SER A CB 1 ATOM 4760 O OG A SER A 1 329 ? 13.662 -2.152 -12.475 0.24 10.22 ? 329 SER A OG 1 ATOM 4761 O OG B SER A 1 329 ? 12.136 0.033 -12.134 0.76 11.94 ? 329 SER A OG 1 ATOM 4762 H H A SER A 1 329 ? 14.109 -0.738 -10.311 0.24 10.85 ? 329 SER A H 1 ATOM 4763 H H B SER A 1 329 ? 14.062 -0.686 -10.318 0.76 11.38 ? 329 SER A H 1 ATOM 4764 H HA A SER A 1 329 ? 11.553 -1.329 -10.145 0.24 11.39 ? 329 SER A HA 1 ATOM 4765 H HA B SER A 1 329 ? 11.526 -1.359 -10.025 0.76 11.69 ? 329 SER A HA 1 ATOM 4766 H HB2 A SER A 1 329 ? 11.719 -1.884 -12.387 0.24 11.83 ? 329 SER A HB2 1 ATOM 4767 H HB2 B SER A 1 329 ? 13.191 -1.612 -12.291 0.76 12.83 ? 329 SER A HB2 1 ATOM 4768 H HB3 A SER A 1 329 ? 12.563 -0.558 -12.154 0.24 11.83 ? 329 SER A HB3 1 ATOM 4769 H HB3 B SER A 1 329 ? 11.621 -1.849 -12.327 0.76 12.83 ? 329 SER A HB3 1 ATOM 4770 H HG A SER A 1 329 ? 13.710 -2.037 -13.306 0.24 12.26 ? 329 SER A HG 1 ATOM 4771 H HG B SER A 1 329 ? 11.401 0.273 -11.807 0.76 14.33 ? 329 SER A HG 1 ATOM 4772 N N . LYS A 1 330 ? 11.348 -3.898 -10.425 1.00 9.89 ? 330 LYS A N 1 ATOM 4773 C CA . LYS A 1 330 ? 11.319 -5.340 -10.199 1.00 10.89 ? 330 LYS A CA 1 ATOM 4774 C C . LYS A 1 330 ? 10.319 -6.024 -11.101 1.00 12.90 ? 330 LYS A C 1 ATOM 4775 O O . LYS A 1 330 ? 9.673 -5.354 -11.909 1.00 14.33 ? 330 LYS A O 1 ATOM 4776 C CB . LYS A 1 330 ? 11.015 -5.656 -8.730 1.00 10.06 ? 330 LYS A CB 1 ATOM 4777 C CG . LYS A 1 330 ? 9.635 -5.209 -8.275 1.00 10.54 ? 330 LYS A CG 1 ATOM 4778 C CD . LYS A 1 330 ? 9.446 -5.364 -6.766 1.00 9.98 ? 330 LYS A CD 1 ATOM 4779 C CE . LYS A 1 330 ? 8.019 -5.035 -6.363 1.00 9.75 ? 330 LYS A CE 1 ATOM 4780 N NZ . LYS A 1 330 ? 7.834 -4.952 -4.897 1.00 9.56 ? 330 LYS A NZ 1 ATOM 4781 O OXT . LYS A 1 330 ? 10.162 -7.246 -11.027 1.00 14.73 ? 330 LYS A OXT 1 ATOM 4782 H H A LYS A 1 330 ? 10.624 -3.573 -10.757 0.24 11.87 ? 330 LYS A H 1 ATOM 4783 H H B LYS A 1 330 ? 10.607 -3.569 -10.713 0.76 11.87 ? 330 LYS A H 1 ATOM 4784 H HA . LYS A 1 330 ? 12.195 -5.703 -10.403 1.00 13.07 ? 330 LYS A HA 1 ATOM 4785 H HB2 . LYS A 1 330 ? 11.072 -6.616 -8.600 1.00 12.07 ? 330 LYS A HB2 1 ATOM 4786 H HB3 . LYS A 1 330 ? 11.670 -5.209 -8.173 1.00 12.07 ? 330 LYS A HB3 1 ATOM 4787 H HG2 . LYS A 1 330 ? 9.515 -4.273 -8.499 1.00 12.65 ? 330 LYS A HG2 1 ATOM 4788 H HG3 . LYS A 1 330 ? 8.963 -5.748 -8.720 1.00 12.65 ? 330 LYS A HG3 1 ATOM 4789 H HD2 . LYS A 1 330 ? 9.632 -6.282 -6.511 1.00 11.97 ? 330 LYS A HD2 1 ATOM 4790 H HD3 . LYS A 1 330 ? 10.044 -4.757 -6.302 1.00 11.97 ? 330 LYS A HD3 1 ATOM 4791 H HE2 . LYS A 1 330 ? 7.774 -4.177 -6.744 1.00 11.70 ? 330 LYS A HE2 1 ATOM 4792 H HE3 . LYS A 1 330 ? 7.429 -5.727 -6.699 1.00 11.70 ? 330 LYS A HE3 1 ATOM 4793 H HZ1 . LYS A 1 330 ? 8.359 -4.316 -4.560 1.00 11.47 ? 330 LYS A HZ1 1 ATOM 4794 H HZ2 . LYS A 1 330 ? 6.987 -4.757 -4.708 1.00 11.47 ? 330 LYS A HZ2 1 ATOM 4795 H HZ3 . LYS A 1 330 ? 8.044 -5.730 -4.520 1.00 11.47 ? 330 LYS A HZ3 1 HETATM 4796 C C1 . GOL B 2 . ? 3.848 15.837 -15.928 1.00 29.75 ? 401 GOL A C1 1 HETATM 4797 O O1 . GOL B 2 . ? 4.108 16.741 -16.987 1.00 30.48 ? 401 GOL A O1 1 HETATM 4798 C C2 . GOL B 2 . ? 2.514 15.147 -16.180 1.00 28.37 ? 401 GOL A C2 1 HETATM 4799 O O2 . GOL B 2 . ? 1.449 16.073 -16.084 1.00 28.73 ? 401 GOL A O2 1 HETATM 4800 C C3 . GOL B 2 . ? 2.543 14.604 -17.597 1.00 26.06 ? 401 GOL A C3 1 HETATM 4801 O O3 . GOL B 2 . ? 3.334 13.452 -17.580 1.00 22.06 ? 401 GOL A O3 1 HETATM 4802 C C1 . GOL C 2 . ? 2.132 19.949 -0.009 0.75 23.87 ? 402 GOL A C1 1 HETATM 4803 O O1 . GOL C 2 . ? 1.371 20.644 -0.966 0.75 20.20 ? 402 GOL A O1 1 HETATM 4804 C C2 . GOL C 2 . ? 1.132 19.452 1.003 0.75 24.42 ? 402 GOL A C2 1 HETATM 4805 O O2 . GOL C 2 . ? 0.032 18.932 0.287 0.75 24.81 ? 402 GOL A O2 1 HETATM 4806 C C3 . GOL C 2 . ? 1.757 18.388 1.885 0.75 24.45 ? 402 GOL A C3 1 HETATM 4807 O O3 . GOL C 2 . ? 0.777 18.068 2.837 0.75 25.66 ? 402 GOL A O3 1 HETATM 4808 C C1 . GOL D 2 . ? 7.632 -14.188 -0.307 1.00 47.01 ? 403 GOL A C1 1 HETATM 4809 O O1 . GOL D 2 . ? 8.624 -14.264 0.702 1.00 44.72 ? 403 GOL A O1 1 HETATM 4810 C C2 . GOL D 2 . ? 8.010 -15.029 -1.530 1.00 48.55 ? 403 GOL A C2 1 HETATM 4811 O O2 . GOL D 2 . ? 8.646 -16.228 -1.141 1.00 49.06 ? 403 GOL A O2 1 HETATM 4812 C C3 . GOL D 2 . ? 6.761 -15.384 -2.332 1.00 49.18 ? 403 GOL A C3 1 HETATM 4813 O O3 . GOL D 2 . ? 6.533 -14.391 -3.308 1.00 50.25 ? 403 GOL A O3 1 HETATM 4814 C C1 . GOL E 2 . ? 7.984 -2.787 -11.435 1.00 17.58 ? 404 GOL A C1 1 HETATM 4815 O O1 . GOL E 2 . ? 9.059 -1.948 -11.039 1.00 14.42 ? 404 GOL A O1 1 HETATM 4816 C C2 . GOL E 2 . ? 6.697 -1.985 -11.647 1.00 18.55 ? 404 GOL A C2 1 HETATM 4817 O O2 . GOL E 2 . ? 6.886 -1.025 -12.680 1.00 18.53 ? 404 GOL A O2 1 HETATM 4818 C C3 . GOL E 2 . ? 5.559 -2.945 -12.004 1.00 20.68 ? 404 GOL A C3 1 HETATM 4819 O O3 . GOL E 2 . ? 5.811 -3.563 -13.250 1.00 22.45 ? 404 GOL A O3 1 HETATM 4820 C C . ACT F 3 . ? -12.933 -2.086 -10.206 1.00 22.12 ? 405 ACT A C 1 HETATM 4821 O O . ACT F 3 . ? -14.086 -2.487 -9.916 1.00 22.92 ? 405 ACT A O 1 HETATM 4822 O OXT . ACT F 3 . ? -12.065 -2.298 -9.333 1.00 21.49 ? 405 ACT A OXT 1 HETATM 4823 C CH3 . ACT F 3 . ? -12.602 -1.378 -11.497 1.00 21.06 ? 405 ACT A CH3 1 HETATM 4824 C C . ACT G 3 . ? 25.192 -0.613 1.671 1.00 41.06 ? 406 ACT A C 1 HETATM 4825 O O . ACT G 3 . ? 25.351 -1.543 0.855 1.00 39.98 ? 406 ACT A O 1 HETATM 4826 O OXT . ACT G 3 . ? 24.129 -0.642 2.309 1.00 40.79 ? 406 ACT A OXT 1 HETATM 4827 C CH3 . ACT G 3 . ? 26.204 0.470 1.892 1.00 42.79 ? 406 ACT A CH3 1 HETATM 4828 S S . DMS H 4 . ? 15.818 15.472 2.177 1.00 61.82 ? 407 DMS A S 1 HETATM 4829 O O . DMS H 4 . ? 14.428 14.995 1.900 1.00 61.43 ? 407 DMS A O 1 HETATM 4830 C C1 . DMS H 4 . ? 17.016 14.293 1.498 1.00 61.80 ? 407 DMS A C1 1 HETATM 4831 C C2 . DMS H 4 . ? 16.181 16.916 1.139 1.00 61.83 ? 407 DMS A C2 1 HETATM 4832 S S . DMS I 4 . ? -11.116 4.982 14.234 0.66 26.01 ? 408 DMS A S 1 HETATM 4833 O O . DMS I 4 . ? -10.173 3.972 14.795 0.66 20.53 ? 408 DMS A O 1 HETATM 4834 C C1 . DMS I 4 . ? -11.426 6.181 15.556 0.66 26.07 ? 408 DMS A C1 1 HETATM 4835 C C2 . DMS I 4 . ? -10.178 6.011 13.073 0.66 25.97 ? 408 DMS A C2 1 HETATM 4836 S S . DMS J 4 . ? -4.252 3.764 6.183 0.65 24.18 ? 409 DMS A S 1 HETATM 4837 O O . DMS J 4 . ? -3.370 4.258 5.091 0.65 16.56 ? 409 DMS A O 1 HETATM 4838 C C1 . DMS J 4 . ? -5.942 3.490 5.582 0.65 25.31 ? 409 DMS A C1 1 HETATM 4839 C C2 . DMS J 4 . ? -3.787 2.056 6.561 0.65 23.61 ? 409 DMS A C2 1 HETATM 4840 S S . DMS K 4 . ? 8.959 -22.847 21.048 0.93 61.26 ? 410 DMS A S 1 HETATM 4841 O O . DMS K 4 . ? 9.163 -21.398 20.745 0.93 61.30 ? 410 DMS A O 1 HETATM 4842 C C1 . DMS K 4 . ? 7.214 -23.271 20.842 0.93 61.21 ? 410 DMS A C1 1 HETATM 4843 C C2 . DMS K 4 . ? 9.722 -23.888 19.773 0.93 60.81 ? 410 DMS A C2 1 HETATM 4844 N N1 A CFF L 5 . ? -12.219 2.810 -0.554 0.38 33.75 1 411 CFF A N1 1 HETATM 4845 N N1 B CFF L 5 . ? -12.226 4.653 0.591 0.39 34.19 1 411 CFF A N1 1 HETATM 4846 C C2 A CFF L 5 . ? -12.864 3.960 -0.107 0.38 34.08 ? 411 CFF A C2 1 HETATM 4847 C C2 B CFF L 5 . ? -12.866 3.789 -0.293 0.39 33.77 ? 411 CFF A C2 1 HETATM 4848 C C10 A CFF L 5 . ? -13.017 1.869 -1.343 0.38 33.72 ? 411 CFF A C10 1 HETATM 4849 C C10 B CFF L 5 . ? -12.979 5.835 1.020 0.39 33.99 ? 411 CFF A C10 1 HETATM 4850 C C6 A CFF L 5 . ? -10.874 2.470 -0.313 0.38 33.75 ? 411 CFF A C6 1 HETATM 4851 C C6 B CFF L 5 . ? -10.930 4.489 1.113 0.39 34.79 ? 411 CFF A C6 1 HETATM 4852 N N3 A CFF L 5 . ? -12.114 4.855 0.641 0.38 34.19 1 411 CFF A N3 1 HETATM 4853 N N3 B CFF L 5 . ? -12.167 2.661 -0.693 0.39 33.70 1 411 CFF A N3 1 HETATM 4854 O O11 A CFF L 5 . ? -14.037 4.166 -0.354 0.38 34.39 -1 411 CFF A O11 1 HETATM 4855 O O11 B CFF L 5 . ? -13.989 4.018 -0.703 0.39 33.61 -1 411 CFF A O11 1 HETATM 4856 C C12 A CFF L 5 . ? -12.760 6.073 1.137 0.38 34.13 ? 411 CFF A C12 1 HETATM 4857 C C12 B CFF L 5 . ? -12.813 1.719 -1.611 0.39 33.52 ? 411 CFF A C12 1 HETATM 4858 C C4 A CFF L 5 . ? -10.793 4.581 0.911 0.38 34.15 ? 411 CFF A C4 1 HETATM 4859 C C4 B CFF L 5 . ? -10.892 2.443 -0.223 0.39 34.09 ? 411 CFF A C4 1 HETATM 4860 C C5 A CFF L 5 . ? -10.199 3.452 0.463 0.38 33.99 ? 411 CFF A C5 1 HETATM 4861 C C5 B CFF L 5 . ? -10.297 3.306 0.631 0.39 34.50 ? 411 CFF A C5 1 HETATM 4862 N N9 A CFF L 5 . ? -9.942 5.350 1.636 0.38 34.16 ? 411 CFF A N9 1 HETATM 4863 N N9 B CFF L 5 . ? -10.090 1.392 -0.525 0.39 34.24 ? 411 CFF A N9 1 HETATM 4864 O O13 A CFF L 5 . ? -10.408 1.426 -0.749 0.38 33.50 -1 411 CFF A O13 1 HETATM 4865 O O13 B CFF L 5 . ? -10.470 5.305 1.902 0.39 35.43 -1 411 CFF A O13 1 HETATM 4866 N N7 A CFF L 5 . ? -8.901 3.511 0.935 0.38 34.22 ? 411 CFF A N7 1 HETATM 4867 N N7 B CFF L 5 . ? -9.048 2.769 0.879 0.39 34.74 ? 411 CFF A N7 1 HETATM 4868 C C8 A CFF L 5 . ? -8.816 4.668 1.625 0.38 34.04 ? 411 CFF A C8 1 HETATM 4869 C C8 B CFF L 5 . ? -8.991 1.630 0.160 0.39 34.49 ? 411 CFF A C8 1 HETATM 4870 C C14 A CFF L 5 . ? -7.837 2.529 0.746 0.38 34.25 ? 411 CFF A C14 1 HETATM 4871 C C14 B CFF L 5 . ? -7.993 3.311 1.733 0.39 34.74 ? 411 CFF A C14 1 HETATM 4872 O O . HOH M 6 . ? 2.234 4.904 9.112 1.00 16.01 ? 501 HOH A O 1 HETATM 4873 O O . HOH M 6 . ? -0.630 4.108 9.312 1.00 34.73 ? 509 HOH A O 1 HETATM 4874 O O . HOH M 6 . ? 0.732 7.651 11.179 1.00 56.25 ? 520 HOH A O 1 HETATM 4875 O O . HOH M 6 . ? -1.580 2.242 10.193 1.00 41.67 ? 533 HOH A O 1 HETATM 4876 O O . HOH M 6 . ? -1.900 6.113 7.066 1.00 46.83 ? 538 HOH A O 1 HETATM 4877 O O A HOH M 6 . ? 4.251 8.038 14.514 0.45 23.49 ? 568 HOH A O 1 HETATM 4878 O O B HOH M 6 . ? 2.828 8.095 14.506 0.55 33.27 ? 568 HOH A O 1 HETATM 4879 O O . HOH M 6 . ? -1.199 -0.250 7.410 1.00 12.51 ? 569 HOH A O 1 HETATM 4880 O O . HOH M 6 . ? 8.864 6.820 7.032 1.00 10.33 ? 582 HOH A O 1 HETATM 4881 O O . HOH M 6 . ? -1.114 -0.173 4.720 1.00 12.61 ? 588 HOH A O 1 HETATM 4882 O O . HOH M 6 . ? 3.578 1.888 15.723 1.00 10.54 ? 589 HOH A O 1 HETATM 4883 O O . HOH M 6 . ? -2.958 9.149 6.074 1.00 44.96 ? 594 HOH A O 1 HETATM 4884 O O . HOH M 6 . ? 1.162 -2.713 5.611 1.00 9.66 ? 612 HOH A O 1 HETATM 4885 O O . HOH M 6 . ? 5.960 5.731 16.872 1.00 11.61 ? 621 HOH A O 1 HETATM 4886 O O . HOH M 6 . ? -4.081 5.246 2.736 1.00 10.94 ? 629 HOH A O 1 HETATM 4887 O O . HOH M 6 . ? 3.775 -3.784 5.964 1.00 8.74 ? 638 HOH A O 1 HETATM 4888 O O A HOH M 6 . ? -5.555 2.093 11.770 0.53 26.57 ? 674 HOH A O 1 HETATM 4889 O O B HOH M 6 . ? -6.922 0.063 11.569 0.47 25.93 ? 674 HOH A O 1 HETATM 4890 O O . HOH M 6 . ? 5.631 9.717 17.970 1.00 41.43 ? 677 HOH A O 1 HETATM 4891 O O . HOH M 6 . ? 1.149 9.739 18.663 1.00 27.73 ? 678 HOH A O 1 HETATM 4892 O O . HOH M 6 . ? 7.334 13.653 13.288 1.00 26.63 ? 686 HOH A O 1 HETATM 4893 O O . HOH M 6 . ? 3.544 -6.201 7.391 1.00 8.68 ? 690 HOH A O 1 HETATM 4894 O O . HOH M 6 . ? -5.908 -2.710 11.776 1.00 24.50 ? 696 HOH A O 1 HETATM 4895 O O . HOH M 6 . ? -7.178 -2.077 9.953 1.00 55.15 ? 714 HOH A O 1 HETATM 4896 O O . HOH M 6 . ? 9.708 -2.083 16.284 1.00 9.96 ? 731 HOH A O 1 HETATM 4897 O O . HOH M 6 . ? -1.807 -0.884 -1.404 1.00 12.95 ? 733 HOH A O 1 HETATM 4898 O O . HOH M 6 . ? 12.206 12.764 8.797 1.00 12.54 ? 738 HOH A O 1 HETATM 4899 O O . HOH M 6 . ? -7.538 8.707 1.725 1.00 23.61 ? 744 HOH A O 1 HETATM 4900 O O . HOH M 6 . ? 13.991 1.582 13.059 1.00 20.33 ? 747 HOH A O 1 HETATM 4901 O O . HOH M 6 . ? 9.399 -0.287 18.429 1.00 10.11 ? 748 HOH A O 1 HETATM 4902 O O . HOH M 6 . ? -6.185 -4.325 14.035 1.00 11.41 ? 760 HOH A O 1 HETATM 4903 O O . HOH M 6 . ? 6.215 16.363 2.571 1.00 22.25 ? 775 HOH A O 1 HETATM 4904 O O . HOH M 6 . ? -8.571 7.182 17.704 1.00 24.65 ? 786 HOH A O 1 HETATM 4905 O O . HOH M 6 . ? -10.638 -1.363 10.149 1.00 32.77 ? 787 HOH A O 1 HETATM 4906 O O A HOH M 6 . ? 12.115 13.821 16.718 0.47 32.18 ? 797 HOH A O 1 HETATM 4907 O O B HOH M 6 . ? 11.824 13.241 15.483 0.53 26.42 ? 797 HOH A O 1 HETATM 4908 O O . HOH M 6 . ? 8.071 -2.727 -1.770 1.00 8.86 ? 798 HOH A O 1 HETATM 4909 O O . HOH M 6 . ? -3.631 6.914 22.115 1.00 27.17 ? 804 HOH A O 1 HETATM 4910 O O . HOH M 6 . ? 8.341 -1.099 20.900 1.00 9.74 ? 807 HOH A O 1 HETATM 4911 O O . HOH M 6 . ? -8.188 10.764 0.218 1.00 15.38 ? 813 HOH A O 1 HETATM 4912 O O . HOH M 6 . ? 16.573 2.944 12.691 1.00 39.89 ? 817 HOH A O 1 HETATM 4913 O O . HOH M 6 . ? -6.739 13.147 0.438 1.00 24.67 ? 819 HOH A O 1 HETATM 4914 O O . HOH M 6 . ? 15.187 11.073 14.183 1.00 27.10 ? 826 HOH A O 1 HETATM 4915 O O . HOH M 6 . ? 16.390 4.862 15.006 1.00 19.77 ? 830 HOH A O 1 HETATM 4916 O O . HOH M 6 . ? 2.231 9.385 23.797 1.00 25.06 ? 835 HOH A O 1 HETATM 4917 O O . HOH M 6 . ? -7.347 4.035 21.705 1.00 27.88 ? 852 HOH A O 1 HETATM 4918 O O . HOH M 6 . ? 13.126 16.944 7.012 1.00 51.94 ? 858 HOH A O 1 HETATM 4919 O O . HOH M 6 . ? 16.635 7.308 15.987 1.00 25.87 ? 864 HOH A O 1 HETATM 4920 O O . HOH M 6 . ? -0.656 19.968 3.891 1.00 27.30 ? 867 HOH A O 1 HETATM 4921 O O . HOH M 6 . ? 18.279 3.108 11.312 1.00 43.65 ? 875 HOH A O 1 HETATM 4922 O O . HOH M 6 . ? 2.941 -8.538 -0.486 1.00 26.89 ? 877 HOH A O 1 HETATM 4923 O O . HOH M 6 . ? -5.710 4.996 23.587 1.00 28.99 ? 881 HOH A O 1 HETATM 4924 O O . HOH M 6 . ? -13.728 2.526 12.701 1.00 37.77 ? 883 HOH A O 1 HETATM 4925 O O . HOH M 6 . ? 17.577 9.491 14.530 1.00 33.95 ? 895 HOH A O 1 HETATM 4926 O O . HOH M 6 . ? 8.880 8.496 24.066 1.00 29.16 ? 896 HOH A O 1 HETATM 4927 O O . HOH M 6 . ? -3.121 -1.670 -5.678 1.00 13.36 ? 897 HOH A O 1 HETATM 4928 O O . HOH M 6 . ? 13.449 16.368 3.818 1.00 47.91 ? 899 HOH A O 1 HETATM 4929 O O . HOH M 6 . ? 3.378 7.952 25.828 1.00 23.42 ? 905 HOH A O 1 HETATM 4930 O O . HOH M 6 . ? -9.986 -7.382 7.429 1.00 49.59 ? 913 HOH A O 1 HETATM 4931 O O . HOH M 6 . ? -0.412 21.683 6.215 1.00 42.17 ? 914 HOH A O 1 HETATM 4932 O O . HOH M 6 . ? -7.600 13.545 -2.402 1.00 10.83 ? 925 HOH A O 1 HETATM 4933 O O . HOH M 6 . ? -5.822 -2.306 -4.919 1.00 15.81 ? 932 HOH A O 1 HETATM 4934 O O . HOH M 6 . ? -12.564 4.330 18.659 1.00 26.61 ? 938 HOH A O 1 HETATM 4935 O O . HOH M 6 . ? 5.182 19.252 -1.399 1.00 25.62 ? 948 HOH A O 1 HETATM 4936 O O . HOH M 6 . ? 17.177 7.113 18.797 1.00 36.20 ? 950 HOH A O 1 HETATM 4937 O O . HOH M 6 . ? 12.570 -7.503 0.659 1.00 9.40 ? 955 HOH A O 1 HETATM 4938 O O . HOH M 6 . ? 14.280 10.924 21.079 1.00 36.89 ? 959 HOH A O 1 HETATM 4939 O O . HOH M 6 . ? 7.869 18.903 -1.434 1.00 21.56 ? 970 HOH A O 1 HETATM 4940 O O . HOH M 6 . ? -4.139 -12.346 11.134 1.00 10.68 ? 971 HOH A O 1 HETATM 4941 O O . HOH M 6 . ? 12.994 -2.130 22.430 1.00 11.22 ? 978 HOH A O 1 HETATM 4942 O O . HOH M 6 . ? -12.178 -0.239 19.827 1.00 16.52 ? 988 HOH A O 1 HETATM 4943 O O . HOH M 6 . ? 16.221 12.149 -1.327 1.00 10.28 ? 992 HOH A O 1 HETATM 4944 O O . HOH M 6 . ? 20.335 10.502 6.473 1.00 32.09 ? 995 HOH A O 1 HETATM 4945 O O . HOH M 6 . ? 18.804 13.932 8.767 1.00 26.01 ? 996 HOH A O 1 HETATM 4946 O O A HOH M 6 . ? 15.470 7.102 20.631 0.35 17.44 ? 997 HOH A O 1 HETATM 4947 O O B HOH M 6 . ? 15.766 6.153 22.167 0.65 36.07 ? 997 HOH A O 1 HETATM 4948 O O . HOH M 6 . ? 18.593 4.551 18.758 1.00 37.73 ? 1005 HOH A O 1 HETATM 4949 O O . HOH M 6 . ? -4.553 -8.747 -2.384 1.00 16.49 ? 1010 HOH A O 1 HETATM 4950 O O . HOH M 6 . ? 2.068 7.206 28.055 1.00 24.69 ? 1014 HOH A O 1 HETATM 4951 O O . HOH M 6 . ? -13.782 -1.489 -0.101 1.00 37.33 ? 1015 HOH A O 1 HETATM 4952 O O A HOH M 6 . ? 5.151 -4.558 -8.425 0.62 17.99 ? 1026 HOH A O 1 HETATM 4953 O O B HOH M 6 . ? 4.241 -5.362 -7.300 0.38 18.20 ? 1026 HOH A O 1 HETATM 4954 O O . HOH M 6 . ? -12.180 -8.074 10.154 1.00 35.63 ? 1030 HOH A O 1 HETATM 4955 O O . HOH M 6 . ? -1.302 20.469 -2.164 1.00 10.99 ? 1038 HOH A O 1 HETATM 4956 O O . HOH M 6 . ? -11.672 -5.826 0.377 1.00 44.57 ? 1046 HOH A O 1 HETATM 4957 O O . HOH M 6 . ? -6.529 18.693 -2.034 1.00 14.64 ? 1058 HOH A O 1 HETATM 4958 O O . HOH M 6 . ? -9.205 15.609 -3.113 1.00 19.42 ? 1070 HOH A O 1 HETATM 4959 O O . HOH M 6 . ? 3.615 21.291 -2.179 1.00 19.52 ? 1071 HOH A O 1 HETATM 4960 O O . HOH M 6 . ? 20.935 11.722 8.765 1.00 38.18 ? 1079 HOH A O 1 HETATM 4961 O O . HOH M 6 . ? 14.475 -0.368 23.970 1.00 14.24 ? 1081 HOH A O 1 HETATM 4962 O O . HOH M 6 . ? -4.089 -12.420 0.977 1.00 27.18 ? 1089 HOH A O 1 HETATM 4963 O O . HOH M 6 . ? -12.942 -7.579 13.777 1.00 22.78 ? 1092 HOH A O 1 HETATM 4964 O O . HOH M 6 . ? -4.057 2.538 28.134 1.00 23.71 ? 1095 HOH A O 1 HETATM 4965 O O . HOH M 6 . ? 6.519 19.614 -4.367 1.00 39.08 ? 1096 HOH A O 1 HETATM 4966 O O . HOH M 6 . ? -5.636 -13.766 9.480 1.00 36.93 ? 1101 HOH A O 1 HETATM 4967 O O . HOH M 6 . ? -10.819 2.904 24.157 1.00 52.34 ? 1102 HOH A O 1 HETATM 4968 O O . HOH M 6 . ? 15.240 11.042 -5.395 1.00 11.28 ? 1107 HOH A O 1 HETATM 4969 O O . HOH M 6 . ? 7.144 -8.645 -5.463 1.00 29.07 ? 1109 HOH A O 1 HETATM 4970 O O . HOH M 6 . ? 12.663 -9.282 -1.472 1.00 10.41 ? 1110 HOH A O 1 HETATM 4971 O O . HOH M 6 . ? 21.061 10.676 3.593 1.00 16.07 ? 1111 HOH A O 1 HETATM 4972 O O . HOH M 6 . ? -13.435 -1.211 -2.893 1.00 14.21 ? 1115 HOH A O 1 HETATM 4973 O O . HOH M 6 . ? -1.490 3.581 29.007 1.00 37.37 ? 1118 HOH A O 1 HETATM 4974 O O . HOH M 6 . ? 8.565 -14.568 11.565 1.00 8.83 ? 1124 HOH A O 1 HETATM 4975 O O . HOH M 6 . ? -0.054 -15.264 4.850 1.00 43.30 ? 1140 HOH A O 1 HETATM 4976 O O . HOH M 6 . ? 3.838 -8.255 -7.117 1.00 36.27 ? 1141 HOH A O 1 HETATM 4977 O O . HOH M 6 . ? 9.176 -11.080 -2.525 1.00 17.09 ? 1149 HOH A O 1 HETATM 4978 O O A HOH M 6 . ? -4.321 -12.546 4.862 0.50 28.67 ? 1150 HOH A O 1 HETATM 4979 O O B HOH M 6 . ? -3.889 -14.503 4.735 0.50 34.82 ? 1150 HOH A O 1 HETATM 4980 O O . HOH M 6 . ? 5.741 -10.121 -4.898 1.00 44.70 ? 1151 HOH A O 1 HETATM 4981 O O . HOH M 6 . ? -7.549 17.793 -4.233 1.00 29.08 ? 1161 HOH A O 1 HETATM 4982 O O A HOH M 6 . ? -6.274 -3.356 -8.989 0.75 25.94 ? 1167 HOH A O 1 HETATM 4983 O O B HOH M 6 . ? -6.467 -3.062 -8.007 0.25 11.28 ? 1167 HOH A O 1 HETATM 4984 O O . HOH M 6 . ? -2.008 -13.260 -0.956 1.00 24.74 ? 1172 HOH A O 1 HETATM 4985 O O . HOH M 6 . ? -10.683 -9.372 0.403 1.00 27.22 ? 1173 HOH A O 1 HETATM 4986 O O . HOH M 6 . ? 16.826 -7.987 0.599 1.00 9.61 ? 1180 HOH A O 1 HETATM 4987 O O . HOH M 6 . ? 16.556 2.350 25.574 1.00 52.58 ? 1188 HOH A O 1 HETATM 4988 O O . HOH M 6 . ? 17.585 14.360 -2.143 1.00 21.83 ? 1190 HOH A O 1 HETATM 4989 O O . HOH M 6 . ? 7.519 -15.784 6.636 1.00 16.34 ? 1207 HOH A O 1 HETATM 4990 O O . HOH M 6 . ? 0.392 -16.311 12.072 1.00 12.20 ? 1210 HOH A O 1 HETATM 4991 O O . HOH M 6 . ? -2.666 23.419 -5.751 1.00 9.00 ? 1220 HOH A O 1 HETATM 4992 O O . HOH M 6 . ? 13.269 8.612 27.272 1.00 33.94 ? 1221 HOH A O 1 HETATM 4993 O O . HOH M 6 . ? 15.677 5.926 26.022 1.00 23.73 ? 1223 HOH A O 1 HETATM 4994 O O . HOH M 6 . ? 16.872 -1.747 23.683 1.00 23.78 ? 1226 HOH A O 1 HETATM 4995 O O A HOH M 6 . ? 6.080 19.936 -7.001 0.50 21.04 ? 1227 HOH A O 1 HETATM 4996 O O B HOH M 6 . ? 4.698 19.322 -6.832 0.50 22.70 ? 1227 HOH A O 1 HETATM 4997 O O . HOH M 6 . ? -17.801 5.453 0.706 1.00 53.97 ? 1228 HOH A O 1 HETATM 4998 O O . HOH M 6 . ? -0.922 -16.175 14.356 1.00 16.92 ? 1236 HOH A O 1 HETATM 4999 O O . HOH M 6 . ? 16.214 14.562 -4.693 1.00 25.79 ? 1237 HOH A O 1 HETATM 5000 O O . HOH M 6 . ? -6.122 18.024 -6.416 1.00 20.22 ? 1244 HOH A O 1 HETATM 5001 O O . HOH M 6 . ? -13.958 -3.769 -3.405 1.00 20.67 ? 1260 HOH A O 1 HETATM 5002 O O . HOH M 6 . ? 10.948 -9.289 -6.072 1.00 14.55 ? 1282 HOH A O 1 HETATM 5003 O O . HOH M 6 . ? 1.771 -9.280 -8.544 1.00 38.73 ? 1286 HOH A O 1 HETATM 5004 O O . HOH M 6 . ? 21.916 -2.553 17.336 1.00 22.24 ? 1290 HOH A O 1 HETATM 5005 O O . HOH M 6 . ? 20.064 12.241 -2.847 1.00 21.05 ? 1292 HOH A O 1 HETATM 5006 O O . HOH M 6 . ? 19.847 -2.159 21.382 1.00 37.66 ? 1299 HOH A O 1 HETATM 5007 O O . HOH M 6 . ? -16.843 -1.445 -1.772 1.00 29.04 ? 1302 HOH A O 1 HETATM 5008 O O . HOH M 6 . ? 13.884 -11.813 -1.111 1.00 12.55 ? 1304 HOH A O 1 HETATM 5009 O O . HOH M 6 . ? -5.849 2.208 30.013 1.00 35.23 ? 1306 HOH A O 1 HETATM 5010 O O A HOH M 6 . ? -10.871 -3.735 -7.407 0.54 30.73 ? 1311 HOH A O 1 HETATM 5011 O O B HOH M 6 . ? -9.665 -5.044 -7.644 0.46 35.07 ? 1311 HOH A O 1 HETATM 5012 O O . HOH M 6 . ? 18.936 11.515 -5.155 1.00 24.06 ? 1316 HOH A O 1 HETATM 5013 O O . HOH M 6 . ? 4.160 -13.567 -4.301 1.00 35.03 ? 1317 HOH A O 1 HETATM 5014 O O . HOH M 6 . ? 23.359 4.861 0.019 1.00 16.22 ? 1329 HOH A O 1 HETATM 5015 O O . HOH M 6 . ? 9.441 0.685 -12.466 1.00 12.85 ? 1340 HOH A O 1 HETATM 5016 O O . HOH M 6 . ? 9.083 -8.914 -8.256 1.00 42.76 ? 1345 HOH A O 1 HETATM 5017 O O . HOH M 6 . ? 11.833 -13.531 -1.250 1.00 40.77 ? 1346 HOH A O 1 HETATM 5018 O O . HOH M 6 . ? 15.632 2.680 -9.676 1.00 22.27 ? 1349 HOH A O 1 HETATM 5019 O O . HOH M 6 . ? 3.165 21.636 -7.099 1.00 34.86 ? 1355 HOH A O 1 HETATM 5020 O O . HOH M 6 . ? 14.126 -1.795 27.877 1.00 22.91 ? 1359 HOH A O 1 HETATM 5021 O O . HOH M 6 . ? -12.934 -4.844 -5.763 1.00 38.52 ? 1361 HOH A O 1 HETATM 5022 O O . HOH M 6 . ? 11.302 -16.104 13.407 1.00 12.71 ? 1365 HOH A O 1 HETATM 5023 O O . HOH M 6 . ? 2.559 -6.101 -11.564 1.00 36.82 ? 1369 HOH A O 1 HETATM 5024 O O A HOH M 6 . ? 15.397 -3.972 26.756 0.50 30.51 ? 1381 HOH A O 1 HETATM 5025 O O B HOH M 6 . ? 16.671 -3.948 25.019 0.50 39.19 ? 1381 HOH A O 1 HETATM 5026 O O . HOH M 6 . ? 4.322 6.055 32.357 1.00 20.55 ? 1384 HOH A O 1 HETATM 5027 O O A HOH M 6 . ? -11.241 1.798 -21.158 0.63 20.90 ? 1385 HOH A O 1 HETATM 5028 O O C HOH M 6 . ? 17.115 3.892 27.058 0.37 18.46 ? 1385 HOH A O 1 HETATM 5029 O O . HOH M 6 . ? 24.784 0.096 4.498 1.00 35.83 ? 1391 HOH A O 1 HETATM 5030 O O . HOH M 6 . ? 5.511 8.450 32.135 1.00 25.83 ? 1394 HOH A O 1 HETATM 5031 O O . HOH M 6 . ? 4.617 -1.157 31.750 1.00 12.25 ? 1401 HOH A O 1 HETATM 5032 O O . HOH M 6 . ? 25.322 6.812 3.924 1.00 40.64 ? 1407 HOH A O 1 HETATM 5033 O O . HOH M 6 . ? 14.758 17.151 -6.838 1.00 40.30 ? 1410 HOH A O 1 HETATM 5034 O O . HOH M 6 . ? 19.549 -9.410 16.840 1.00 29.97 ? 1417 HOH A O 1 HETATM 5035 O O . HOH M 6 . ? -19.968 8.921 2.027 1.00 30.75 ? 1419 HOH A O 1 HETATM 5036 O O . HOH M 6 . ? 18.093 13.454 -6.401 1.00 28.73 ? 1421 HOH A O 1 HETATM 5037 O O . HOH M 6 . ? 14.420 0.713 29.072 1.00 14.89 ? 1441 HOH A O 1 HETATM 5038 O O . HOH M 6 . ? 7.541 -18.719 -0.418 1.00 34.88 ? 1450 HOH A O 1 HETATM 5039 O O . HOH M 6 . ? -9.598 -13.299 19.623 1.00 34.21 ? 1459 HOH A O 1 HETATM 5040 O O . HOH M 6 . ? 14.083 2.001 -11.769 1.00 19.34 ? 1461 HOH A O 1 HETATM 5041 O O . HOH M 6 . ? 20.102 9.539 -6.481 1.00 24.45 ? 1463 HOH A O 1 HETATM 5042 O O . HOH M 6 . ? -7.911 -9.240 25.793 1.00 16.33 ? 1475 HOH A O 1 HETATM 5043 O O A HOH M 6 . ? 10.899 -15.163 3.114 0.37 15.68 ? 1485 HOH A O 1 HETATM 5044 O O B HOH M 6 . ? 10.456 -16.903 3.322 0.63 29.32 ? 1485 HOH A O 1 HETATM 5045 O O . HOH M 6 . ? -16.807 -3.864 -3.335 1.00 31.81 ? 1486 HOH A O 1 HETATM 5046 O O . HOH M 6 . ? 25.579 4.470 3.167 1.00 44.66 ? 1488 HOH A O 1 HETATM 5047 O O . HOH M 6 . ? 4.565 20.313 -9.126 1.00 31.89 ? 1495 HOH A O 1 HETATM 5048 O O . HOH M 6 . ? 22.168 -6.120 17.610 1.00 41.07 ? 1503 HOH A O 1 HETATM 5049 O O A HOH M 6 . ? -0.513 -18.335 21.330 0.50 23.26 ? 1508 HOH A O 1 HETATM 5050 O O B HOH M 6 . ? -0.842 -16.471 20.767 0.50 22.12 ? 1508 HOH A O 1 HETATM 5051 O O . HOH M 6 . ? 9.722 -15.478 20.349 1.00 15.94 ? 1515 HOH A O 1 HETATM 5052 O O . HOH M 6 . ? -4.803 -8.969 -9.641 1.00 44.34 ? 1516 HOH A O 1 HETATM 5053 O O . HOH M 6 . ? 11.165 10.900 30.734 1.00 36.83 ? 1523 HOH A O 1 HETATM 5054 O O . HOH M 6 . ? 11.771 -12.186 -5.727 1.00 47.41 ? 1534 HOH A O 1 HETATM 5055 O O . HOH M 6 . ? -5.371 -15.420 20.724 1.00 19.42 ? 1535 HOH A O 1 HETATM 5056 O O . HOH M 6 . ? 25.009 -4.300 10.729 1.00 22.94 ? 1538 HOH A O 1 HETATM 5057 O O . HOH M 6 . ? -11.977 -12.350 19.744 1.00 31.35 ? 1540 HOH A O 1 HETATM 5058 O O . HOH M 6 . ? 2.830 19.904 -11.046 1.00 31.85 ? 1547 HOH A O 1 HETATM 5059 O O . HOH M 6 . ? -0.610 -5.102 -13.344 1.00 45.79 ? 1550 HOH A O 1 HETATM 5060 O O . HOH M 6 . ? 13.113 -17.141 6.829 1.00 33.38 ? 1555 HOH A O 1 HETATM 5061 O O . HOH M 6 . ? 19.121 -8.936 20.782 1.00 27.93 ? 1562 HOH A O 1 HETATM 5062 O O . HOH M 6 . ? 26.957 6.069 6.591 1.00 31.37 ? 1566 HOH A O 1 HETATM 5063 O O . HOH M 6 . ? 25.197 7.017 -0.102 1.00 44.09 ? 1567 HOH A O 1 HETATM 5064 O O . HOH M 6 . ? 18.246 -5.624 24.506 1.00 52.85 ? 1569 HOH A O 1 HETATM 5065 O O . HOH M 6 . ? 17.507 -14.698 6.361 1.00 18.79 ? 1572 HOH A O 1 HETATM 5066 O O . HOH M 6 . ? 27.167 2.535 9.379 1.00 45.20 ? 1573 HOH A O 1 HETATM 5067 O O . HOH M 6 . ? 7.321 -5.907 -12.963 1.00 38.00 ? 1581 HOH A O 1 HETATM 5068 O O . HOH M 6 . ? 3.601 6.971 -15.993 1.00 11.14 ? 1593 HOH A O 1 HETATM 5069 O O . HOH M 6 . ? 16.085 -0.898 -11.167 1.00 10.39 ? 1594 HOH A O 1 HETATM 5070 O O . HOH M 6 . ? 17.688 2.461 -10.445 1.00 27.97 ? 1595 HOH A O 1 HETATM 5071 O O . HOH M 6 . ? -6.498 -3.849 30.898 1.00 41.64 ? 1610 HOH A O 1 HETATM 5072 O O . HOH M 6 . ? 11.513 21.708 -7.425 1.00 33.72 ? 1612 HOH A O 1 HETATM 5073 O O . HOH M 6 . ? -9.713 -11.067 24.814 1.00 41.59 ? 1619 HOH A O 1 HETATM 5074 O O . HOH M 6 . ? 11.744 -16.644 18.883 1.00 19.16 ? 1627 HOH A O 1 HETATM 5075 O O . HOH M 6 . ? -10.075 18.582 -8.534 1.00 39.44 ? 1630 HOH A O 1 HETATM 5076 O O . HOH M 6 . ? 16.307 -16.404 8.074 1.00 36.58 ? 1631 HOH A O 1 HETATM 5077 O O . HOH M 6 . ? -2.243 -1.408 -15.385 1.00 20.88 ? 1637 HOH A O 1 HETATM 5078 O O . HOH M 6 . ? 13.987 17.331 -9.950 1.00 32.85 ? 1638 HOH A O 1 HETATM 5079 O O . HOH M 6 . ? 1.124 -18.778 18.493 1.00 26.35 ? 1640 HOH A O 1 HETATM 5080 O O . HOH M 6 . ? -8.952 0.004 -13.414 1.00 37.81 ? 1641 HOH A O 1 HETATM 5081 O O . HOH M 6 . ? 22.740 5.019 -6.226 1.00 11.45 ? 1645 HOH A O 1 HETATM 5082 O O . HOH M 6 . ? -1.872 -15.595 23.900 1.00 14.68 ? 1651 HOH A O 1 HETATM 5083 O O . HOH M 6 . ? -8.855 17.723 -10.344 1.00 41.13 ? 1656 HOH A O 1 HETATM 5084 O O . HOH M 6 . ? 20.907 -11.659 15.621 1.00 31.33 ? 1658 HOH A O 1 HETATM 5085 O O . HOH M 6 . ? 9.799 0.502 -15.160 1.00 38.11 ? 1672 HOH A O 1 HETATM 5086 O O . HOH M 6 . ? -14.606 -4.866 -8.000 1.00 42.37 ? 1677 HOH A O 1 HETATM 5087 O O . HOH M 6 . ? 12.575 -9.353 -10.114 1.00 49.14 ? 1683 HOH A O 1 HETATM 5088 O O . HOH M 6 . ? -7.250 0.251 -14.614 1.00 29.81 ? 1684 HOH A O 1 HETATM 5089 O O . HOH M 6 . ? -0.311 -1.309 33.791 1.00 51.94 ? 1688 HOH A O 1 HETATM 5090 O O . HOH M 6 . ? 23.595 -7.594 1.395 1.00 19.07 ? 1689 HOH A O 1 HETATM 5091 O O . HOH M 6 . ? 12.297 -18.309 14.803 1.00 32.21 ? 1690 HOH A O 1 HETATM 5092 O O . HOH M 6 . ? -22.184 10.806 1.782 1.00 30.73 ? 1694 HOH A O 1 HETATM 5093 O O . HOH M 6 . ? 19.193 -13.771 15.280 1.00 18.20 ? 1699 HOH A O 1 HETATM 5094 O O . HOH M 6 . ? -12.338 -10.519 24.032 1.00 40.43 ? 1700 HOH A O 1 HETATM 5095 O O . HOH M 6 . ? 10.737 -18.403 17.051 1.00 25.06 ? 1706 HOH A O 1 HETATM 5096 O O . HOH M 6 . ? 11.370 -5.284 31.320 1.00 21.20 ? 1709 HOH A O 1 HETATM 5097 O O . HOH M 6 . ? 11.447 2.727 -15.261 1.00 41.86 ? 1716 HOH A O 1 HETATM 5098 O O . HOH M 6 . ? -0.483 0.812 -16.609 1.00 16.77 ? 1718 HOH A O 1 HETATM 5099 O O . HOH M 6 . ? 17.742 -15.710 3.729 1.00 49.77 ? 1722 HOH A O 1 HETATM 5100 O O . HOH M 6 . ? 14.236 -11.302 25.776 1.00 17.25 ? 1731 HOH A O 1 HETATM 5101 O O . HOH M 6 . ? 6.847 8.550 34.507 1.00 46.55 ? 1733 HOH A O 1 HETATM 5102 O O . HOH M 6 . ? -8.301 20.313 -9.354 1.00 17.01 ? 1739 HOH A O 1 HETATM 5103 O O . HOH M 6 . ? -21.171 -4.811 1.794 1.00 31.23 ? 1745 HOH A O 1 HETATM 5104 O O . HOH M 6 . ? 20.394 9.226 -9.552 1.00 23.90 ? 1757 HOH A O 1 HETATM 5105 O O . HOH M 6 . ? -4.292 -16.626 22.898 1.00 28.90 ? 1772 HOH A O 1 HETATM 5106 O O . HOH M 6 . ? 14.909 4.106 -14.094 1.00 22.32 ? 1776 HOH A O 1 HETATM 5107 O O . HOH M 6 . ? 11.431 -4.331 -14.024 1.00 24.89 ? 1782 HOH A O 1 HETATM 5108 O O . HOH M 6 . ? 24.438 -8.713 3.901 1.00 16.71 ? 1784 HOH A O 1 HETATM 5109 O O A HOH M 6 . ? 22.574 9.213 -1.531 0.64 27.44 ? 1788 HOH A O 1 HETATM 5110 O O B HOH M 6 . ? -21.754 7.872 -2.146 0.36 16.94 ? 1788 HOH A O 1 HETATM 5111 O O . HOH M 6 . ? 27.108 -3.265 4.833 1.00 29.14 ? 1792 HOH A O 1 HETATM 5112 O O . HOH M 6 . ? -4.774 0.268 -16.191 1.00 26.96 ? 1805 HOH A O 1 HETATM 5113 O O . HOH M 6 . ? 18.201 -16.338 9.938 1.00 46.33 ? 1806 HOH A O 1 HETATM 5114 O O . HOH M 6 . ? 6.017 5.753 35.403 1.00 39.31 ? 1820 HOH A O 1 HETATM 5115 O O . HOH M 6 . ? 19.387 -15.340 12.951 1.00 33.34 ? 1832 HOH A O 1 HETATM 5116 O O . HOH M 6 . ? 19.601 -12.568 19.573 1.00 41.27 ? 1836 HOH A O 1 HETATM 5117 O O . HOH M 6 . ? 15.612 0.132 -13.629 1.00 34.74 ? 1839 HOH A O 1 HETATM 5118 O O . HOH M 6 . ? 12.451 -9.636 29.168 1.00 23.51 ? 1840 HOH A O 1 HETATM 5119 O O . HOH M 6 . ? -12.935 17.487 -8.914 1.00 32.26 ? 1844 HOH A O 1 HETATM 5120 O O . HOH M 6 . ? 14.569 -9.986 27.762 1.00 53.60 ? 1846 HOH A O 1 HETATM 5121 O O . HOH M 6 . ? 4.005 -0.610 35.025 1.00 27.08 ? 1850 HOH A O 1 HETATM 5122 O O . HOH M 6 . ? 20.350 6.231 -10.909 1.00 40.27 ? 1851 HOH A O 1 HETATM 5123 O O . HOH M 6 . ? 7.384 7.405 -17.409 1.00 25.60 ? 1853 HOH A O 1 HETATM 5124 O O . HOH M 6 . ? 11.176 -1.868 -15.323 1.00 36.93 ? 1857 HOH A O 1 HETATM 5125 O O . HOH M 6 . ? 18.598 -8.458 25.887 1.00 47.80 ? 1883 HOH A O 1 HETATM 5126 O O A HOH M 6 . ? -9.429 -7.507 29.918 0.57 35.70 ? 1891 HOH A O 1 HETATM 5127 O O B HOH M 6 . ? -11.074 -6.784 29.633 0.43 25.33 ? 1891 HOH A O 1 HETATM 5128 O O A HOH M 6 . ? -8.653 16.712 -12.200 0.50 20.32 ? 1892 HOH A O 1 HETATM 5129 O O B HOH M 6 . ? -10.119 15.963 -12.188 0.50 18.07 ? 1892 HOH A O 1 HETATM 5130 O O . HOH M 6 . ? 1.961 17.923 -14.760 1.00 27.59 ? 1894 HOH A O 1 HETATM 5131 O O . HOH M 6 . ? -18.673 -4.272 -5.449 1.00 28.64 ? 1897 HOH A O 1 HETATM 5132 O O . HOH M 6 . ? -14.846 -5.040 27.795 1.00 30.22 ? 1906 HOH A O 1 HETATM 5133 O O . HOH M 6 . ? 16.073 13.410 -13.152 1.00 31.80 ? 1932 HOH A O 1 HETATM 5134 O O . HOH M 6 . ? 23.792 -8.854 -0.802 1.00 43.76 ? 1936 HOH A O 1 HETATM 5135 O O . HOH M 6 . ? 9.243 10.099 34.921 1.00 50.82 ? 1954 HOH A O 1 HETATM 5136 O O . HOH M 6 . ? 3.511 3.433 -18.521 1.00 39.96 ? 1958 HOH A O 1 HETATM 5137 O O . HOH M 6 . ? -3.174 -10.312 31.310 1.00 39.52 ? 1969 HOH A O 1 HETATM 5138 O O . HOH M 6 . ? 21.048 -15.287 10.862 1.00 21.24 ? 1977 HOH A O 1 HETATM 5139 O O . HOH M 6 . ? -1.385 -8.916 32.532 1.00 53.16 ? 1979 HOH A O 1 HETATM 5140 O O . HOH M 6 . ? -0.433 -18.007 24.361 1.00 23.63 ? 1987 HOH A O 1 HETATM 5141 O O . HOH M 6 . ? -2.337 2.133 -18.202 1.00 31.57 ? 1999 HOH A O 1 HETATM 5142 O O . HOH M 6 . ? 22.364 -13.346 2.837 1.00 44.95 ? 2022 HOH A O 1 HETATM 5143 O O . HOH M 6 . ? -7.519 -11.728 29.306 1.00 45.65 ? 2026 HOH A O 1 HETATM 5144 O O . HOH M 6 . ? 8.608 23.194 -10.774 1.00 40.06 ? 2045 HOH A O 1 HETATM 5145 O O . HOH M 6 . ? 15.250 -2.485 -14.626 1.00 39.70 ? 2055 HOH A O 1 HETATM 5146 O O . HOH M 6 . ? 24.599 -11.458 4.321 1.00 24.74 ? 2057 HOH A O 1 HETATM 5147 O O . HOH M 6 . ? -0.571 4.559 -18.900 1.00 15.69 ? 2060 HOH A O 1 HETATM 5148 O O . HOH M 6 . ? 10.867 -18.862 21.652 1.00 35.20 ? 2070 HOH A O 1 HETATM 5149 O O . HOH M 6 . ? -21.983 7.407 -5.142 1.00 33.31 ? 2073 HOH A O 1 HETATM 5150 O O A HOH M 6 . ? -0.761 -11.982 30.755 0.66 14.96 ? 2084 HOH A O 1 HETATM 5151 O O B HOH M 6 . ? -0.060 -10.710 32.476 0.34 25.53 ? 2084 HOH A O 1 HETATM 5152 O O . HOH M 6 . ? -4.607 -15.503 27.439 1.00 27.07 ? 2085 HOH A O 1 HETATM 5153 O O . HOH M 6 . ? 4.396 -18.108 25.505 1.00 13.46 ? 2093 HOH A O 1 HETATM 5154 O O . HOH M 6 . ? -16.497 -2.578 -10.990 1.00 29.27 ? 2095 HOH A O 1 HETATM 5155 O O . HOH M 6 . ? 22.081 -15.319 7.802 1.00 31.18 ? 2102 HOH A O 1 HETATM 5156 O O . HOH M 6 . ? 21.308 3.475 -11.678 1.00 42.39 ? 2103 HOH A O 1 HETATM 5157 O O . HOH M 6 . ? 21.811 -11.671 -3.111 1.00 35.49 ? 2107 HOH A O 1 HETATM 5158 O O . HOH M 6 . ? 2.253 -20.220 22.111 1.00 27.98 ? 2110 HOH A O 1 HETATM 5159 O O . HOH M 6 . ? 18.600 -0.010 -13.854 1.00 19.90 ? 2125 HOH A O 1 HETATM 5160 O O . HOH M 6 . ? 11.306 -2.947 34.962 1.00 27.25 ? 2137 HOH A O 1 HETATM 5161 O O . HOH M 6 . ? 19.158 -14.903 20.932 1.00 41.77 ? 2140 HOH A O 1 HETATM 5162 O O . HOH M 6 . ? 22.528 -5.890 -8.130 1.00 27.39 ? 2151 HOH A O 1 HETATM 5163 O O . HOH M 6 . ? 11.868 10.237 -17.489 1.00 29.12 ? 2159 HOH A O 1 HETATM 5164 O O . HOH M 6 . ? 19.292 -6.605 -11.028 1.00 22.50 ? 2162 HOH A O 1 HETATM 5165 O O . HOH M 6 . ? 5.683 8.721 -19.257 1.00 16.16 ? 2163 HOH A O 1 HETATM 5166 O O . HOH M 6 . ? 15.138 -15.672 24.533 1.00 18.42 ? 2166 HOH A O 1 HETATM 5167 O O . HOH M 6 . ? -3.321 16.297 -16.762 1.00 10.18 ? 2167 HOH A O 1 HETATM 5168 O O . HOH M 6 . ? 16.862 -16.103 22.213 1.00 38.13 ? 2168 HOH A O 1 HETATM 5169 O O . HOH M 6 . ? -0.655 15.586 -17.321 1.00 43.02 ? 2170 HOH A O 1 HETATM 5170 O O . HOH M 6 . ? 3.124 22.115 -14.045 1.00 13.29 ? 2177 HOH A O 1 HETATM 5171 O O . HOH M 6 . ? 2.012 -19.328 24.848 1.00 17.22 ? 2180 HOH A O 1 HETATM 5172 O O . HOH M 6 . ? 5.120 -11.295 32.841 1.00 37.28 ? 2185 HOH A O 1 HETATM 5173 O O . HOH M 6 . ? -11.138 14.136 -14.986 1.00 23.06 ? 2198 HOH A O 1 HETATM 5174 O O . HOH M 6 . ? 20.996 -7.821 -9.323 1.00 21.75 ? 2216 HOH A O 1 HETATM 5175 O O . HOH M 6 . ? 9.880 21.828 -13.748 1.00 38.50 ? 2220 HOH A O 1 HETATM 5176 O O . HOH M 6 . ? 24.328 -14.314 8.419 1.00 35.14 ? 2227 HOH A O 1 HETATM 5177 O O . HOH M 6 . ? -0.295 12.721 -19.232 1.00 42.67 ? 2247 HOH A O 1 HETATM 5178 O O A HOH M 6 . ? -16.915 8.559 -10.419 0.60 29.18 ? 2250 HOH A O 1 HETATM 5179 O O B HOH M 6 . ? -18.599 7.264 -11.561 0.40 22.58 ? 2250 HOH A O 1 HETATM 5180 O O . HOH M 6 . ? 27.246 -10.398 11.214 1.00 42.14 ? 2256 HOH A O 1 HETATM 5181 O O . HOH M 6 . ? -5.470 5.292 -19.663 1.00 41.16 ? 2274 HOH A O 1 HETATM 5182 O O . HOH M 6 . ? 19.473 6.391 -14.714 1.00 48.31 ? 2278 HOH A O 1 HETATM 5183 O O . HOH M 6 . ? 16.700 9.982 -16.396 1.00 43.34 ? 2290 HOH A O 1 HETATM 5184 O O . HOH M 6 . ? 25.749 -13.017 12.936 1.00 34.77 ? 2307 HOH A O 1 HETATM 5185 O O . HOH M 6 . ? -5.535 8.220 -19.558 1.00 31.44 ? 2308 HOH A O 1 HETATM 5186 O O . HOH M 6 . ? 13.451 12.994 -17.452 1.00 42.64 ? 2327 HOH A O 1 HETATM 5187 O O . HOH M 6 . ? -2.378 9.765 -20.267 1.00 40.50 ? 2329 HOH A O 1 HETATM 5188 O O . HOH M 6 . ? -22.022 5.751 -8.508 1.00 30.55 ? 2330 HOH A O 1 HETATM 5189 O O . HOH M 6 . ? -23.092 3.271 -8.933 1.00 18.50 ? 2331 HOH A O 1 HETATM 5190 O O . HOH M 6 . ? -2.106 5.924 -20.612 1.00 41.03 ? 2335 HOH A O 1 HETATM 5191 O O . HOH M 6 . ? 5.599 24.439 -13.409 1.00 11.34 ? 2339 HOH A O 1 HETATM 5192 O O . HOH M 6 . ? 7.187 -9.118 35.038 1.00 34.30 ? 2344 HOH A O 1 HETATM 5193 O O . HOH M 6 . ? 3.478 -7.780 36.147 1.00 40.99 ? 2353 HOH A O 1 HETATM 5194 O O . HOH M 6 . ? 9.450 -5.675 36.250 1.00 39.78 ? 2354 HOH A O 1 HETATM 5195 O O A HOH M 6 . ? -5.855 -16.711 18.317 0.60 26.16 ? 2355 HOH A O 1 HETATM 5196 O O B HOH M 6 . ? 6.024 17.225 -18.202 0.40 29.25 ? 2355 HOH A O 1 HETATM 5197 O O . HOH M 6 . ? 13.734 -18.027 24.924 1.00 25.23 ? 2357 HOH A O 1 HETATM 5198 O O . HOH M 6 . ? 10.216 19.564 -16.154 1.00 23.62 ? 2364 HOH A O 1 HETATM 5199 O O . HOH M 6 . ? 16.687 -15.068 26.676 1.00 41.96 ? 2387 HOH A O 1 HETATM 5200 O O . HOH M 6 . ? -0.894 8.382 -21.128 1.00 28.54 ? 2415 HOH A O 1 HETATM 5201 O O . HOH M 6 . ? -18.066 11.551 -12.893 1.00 39.67 ? 2445 HOH A O 1 HETATM 5202 O O . HOH M 6 . ? 18.634 -6.726 -14.632 1.00 29.33 ? 2451 HOH A O 1 HETATM 5203 O O . HOH M 6 . ? -13.233 6.780 -17.671 1.00 17.51 ? 2459 HOH A O 1 HETATM 5204 O O . HOH M 6 . ? -19.481 5.072 -13.222 1.00 14.77 ? 2483 HOH A O 1 HETATM 5205 O O A HOH M 6 . ? -10.816 7.370 -18.929 0.50 24.13 ? 2505 HOH A O 1 HETATM 5206 O O B HOH M 6 . ? -9.734 8.367 -19.804 0.50 30.15 ? 2505 HOH A O 1 HETATM 5207 O O . HOH M 6 . ? 7.971 21.047 -17.497 1.00 41.03 ? 2518 HOH A O 1 HETATM 5208 O O . HOH M 6 . ? -10.614 4.617 -19.859 1.00 28.33 ? 2520 HOH A O 1 HETATM 5209 O O . HOH M 6 . ? -13.251 14.120 -16.758 1.00 42.00 ? 2524 HOH A O 1 HETATM 5210 O O A HOH M 6 . ? 22.468 -3.866 -9.264 0.50 26.47 ? 2529 HOH A O 1 HETATM 5211 O O B HOH M 6 . ? 6.712 -2.649 39.189 0.50 24.52 ? 2529 HOH A O 1 HETATM 5212 O O . HOH M 6 . ? -10.252 15.566 -17.861 1.00 29.19 ? 2533 HOH A O 1 HETATM 5213 O O . HOH M 6 . ? 9.924 13.044 -20.477 1.00 36.49 ? 2535 HOH A O 1 HETATM 5214 O O . HOH M 6 . ? 1.715 -21.530 26.399 1.00 29.34 ? 2539 HOH A O 1 HETATM 5215 O O . HOH M 6 . ? -18.357 3.475 -15.102 1.00 13.67 ? 2540 HOH A O 1 HETATM 5216 O O A HOH M 6 . ? -20.218 -4.148 -8.656 0.28 13.52 ? 2602 HOH A O 1 HETATM 5217 O O B HOH M 6 . ? 9.091 -2.087 40.151 0.72 20.66 ? 2602 HOH A O 1 HETATM 5218 O O . HOH M 6 . ? 2.891 15.153 -21.635 1.00 33.48 ? 2611 HOH A O 1 HETATM 5219 O O . HOH M 6 . ? 3.754 -21.112 28.774 1.00 36.26 ? 2625 HOH A O 1 HETATM 5220 O O . HOH M 6 . ? 2.392 -23.790 24.853 1.00 43.53 ? 2643 HOH A O 1 HETATM 5221 O O . HOH M 6 . ? 3.041 17.901 -21.178 1.00 46.43 ? 2650 HOH A O 1 HETATM 5222 O O . HOH M 6 . ? -3.171 13.413 -22.526 1.00 27.37 ? 2660 HOH A O 1 HETATM 5223 O O . HOH M 6 . ? 9.395 -23.088 25.961 1.00 39.89 ? 2677 HOH A O 1 HETATM 5224 O O . HOH M 6 . ? 9.087 -21.684 28.339 1.00 33.96 ? 2688 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . SER A 1 ? 0.0856 0.2015 0.1832 0.0026 -0.0580 0.0260 1 SER A N 2 C CA A SER A 1 ? 0.0969 0.1847 0.1834 0.0084 -0.0600 0.0439 1 SER A CA 3 C CA B SER A 1 ? 0.0871 0.1852 0.1797 0.0082 -0.0526 0.0426 1 SER A CA 4 C C . SER A 1 ? 0.0920 0.1556 0.1650 0.0127 -0.0550 0.0403 1 SER A C 5 O O . SER A 1 ? 0.0882 0.1486 0.1794 0.0003 -0.0521 0.0349 1 SER A O 6 C CB A SER A 1 ? 0.1242 0.2025 0.2233 0.0015 -0.0431 0.0479 1 SER A CB 7 C CB B SER A 1 ? 0.0853 0.2028 0.1985 0.0037 -0.0409 0.0526 1 SER A CB 8 O OG A SER A 1 ? 0.1297 0.2100 0.2200 -0.0027 -0.0505 0.0353 1 SER A OG 9 O OG B SER A 1 ? 0.0782 0.2096 0.1896 0.0023 -0.0380 0.0524 1 SER A OG 24 N N . THR A 2 ? 0.0768 0.1390 0.1545 0.0140 -0.0504 0.0239 2 THR A N 25 C CA . THR A 2 ? 0.0852 0.1375 0.1592 0.0132 -0.0430 0.0180 2 THR A CA 26 C C . THR A 2 ? 0.0793 0.1415 0.1609 -0.0036 -0.0499 0.0123 2 THR A C 27 O O . THR A 2 ? 0.0893 0.1470 0.1822 0.0133 -0.0308 0.0298 2 THR A O 28 C CB . THR A 2 ? 0.0862 0.1293 0.1657 0.0126 -0.0409 0.0084 2 THR A CB 29 O OG1 . THR A 2 ? 0.1294 0.1286 0.1993 0.0172 -0.0178 0.0042 2 THR A OG1 30 C CG2 . THR A 2 ? 0.0885 0.1453 0.1761 -0.0017 -0.0273 0.0121 2 THR A CG2 38 N N . GLY A 3 ? 0.0802 0.1277 0.1442 -0.0089 -0.0518 0.0099 3 GLY A N 39 C CA . GLY A 3 ? 0.0690 0.1316 0.1340 -0.0049 -0.0428 0.0089 3 GLY A CA 40 C C . GLY A 3 ? 0.0768 0.1070 0.1320 0.0067 -0.0360 0.0039 3 GLY A C 41 O O . GLY A 3 ? 0.0860 0.1101 0.1509 0.0111 -0.0286 0.0098 3 GLY A O 45 N N . SER A 4 ? 0.0849 0.1088 0.1230 0.0008 -0.0340 0.0126 4 SER A N 46 C CA . SER A 4 ? 0.0861 0.1110 0.1302 0.0046 -0.0569 0.0143 4 SER A CA 47 C C . SER A 4 ? 0.0740 0.0989 0.1294 -0.0022 -0.0434 0.0177 4 SER A C 48 O O . SER A 4 ? 0.0873 0.0993 0.1707 0.0049 -0.0327 0.0233 4 SER A O 49 C CB . SER A 4 ? 0.1214 0.1146 0.1280 0.0038 -0.0438 0.0038 4 SER A CB 50 O OG . SER A 4 ? 0.1241 0.1261 0.1539 -0.0054 -0.0206 0.0063 4 SER A OG 56 N N . ALA A 5 ? 0.0820 0.0939 0.1294 -0.0095 -0.0268 0.0177 5 ALA A N 57 C CA . ALA A 5 ? 0.0826 0.1067 0.1488 0.0009 -0.0279 0.0191 5 ALA A CA 58 C C . ALA A 5 ? 0.0676 0.0892 0.1435 -0.0071 -0.0320 0.0221 5 ALA A C 59 O O . ALA A 5 ? 0.0951 0.0946 0.1547 -0.0342 -0.0395 0.0282 5 ALA A O 60 C CB . ALA A 5 ? 0.0943 0.1183 0.1642 0.0038 -0.0237 0.0163 5 ALA A CB 66 N N . THR A 6 ? 0.0635 0.0953 0.1524 -0.0201 -0.0347 0.0202 6 THR A N 67 C CA . THR A 6 ? 0.0718 0.0997 0.1351 -0.0139 -0.0447 0.0091 6 THR A CA 68 C C . THR A 6 ? 0.0697 0.1064 0.1221 -0.0102 -0.0496 0.0162 6 THR A C 69 O O . THR A 6 ? 0.1006 0.1197 0.1420 -0.0111 -0.0294 0.0155 6 THR A O 70 C CB . THR A 6 ? 0.0793 0.0920 0.1352 -0.0106 -0.0395 0.0050 6 THR A CB 71 O OG1 . THR A 6 ? 0.1079 0.1059 0.1725 0.0022 -0.0481 -0.0203 6 THR A OG1 72 C CG2 . THR A 6 ? 0.0869 0.1047 0.1365 -0.0238 -0.0307 0.0060 6 THR A CG2 80 N N . THR A 7 ? 0.0705 0.0962 0.1107 -0.0086 -0.0337 0.0043 7 THR A N 81 C CA . THR A 7 ? 0.0746 0.1051 0.1169 0.0031 -0.0376 -0.0036 7 THR A CA 82 C C . THR A 7 ? 0.0686 0.1146 0.1245 0.0014 -0.0362 -0.0188 7 THR A C 83 O O . THR A 7 ? 0.0766 0.1488 0.1199 0.0015 -0.0325 -0.0229 7 THR A O 84 C CB . THR A 7 ? 0.0931 0.1149 0.1315 0.0039 -0.0284 -0.0114 7 THR A CB 85 O OG1 . THR A 7 ? 0.0858 0.1231 0.1483 0.0096 -0.0339 -0.0087 7 THR A OG1 86 C CG2 . THR A 7 ? 0.1191 0.1104 0.1379 0.0076 -0.0287 -0.0034 7 THR A CG2 94 N N . THR A 8 ? 0.0747 0.1118 0.1232 0.0057 -0.0391 -0.0156 8 THR A N 95 C CA . THR A 8 ? 0.0844 0.1208 0.1362 0.0021 -0.0255 -0.0189 8 THR A CA 96 C C . THR A 8 ? 0.0642 0.1188 0.1340 0.0030 -0.0362 -0.0107 8 THR A C 97 O O . THR A 8 ? 0.0756 0.1232 0.1420 0.0139 -0.0466 -0.0151 8 THR A O 98 C CB . THR A 8 ? 0.0807 0.1253 0.1597 0.0010 -0.0497 -0.0166 8 THR A CB 99 O OG1 . THR A 8 ? 0.1025 0.1164 0.1600 0.0015 -0.0419 0.0005 8 THR A OG1 100 C CG2 . THR A 8 ? 0.0890 0.1382 0.1581 0.0081 -0.0524 -0.0033 8 THR A CG2 108 N N . PRO A 9 ? 0.0775 0.1263 0.1337 0.0079 -0.0450 -0.0229 9 PRO A N 109 C CA . PRO A 9 ? 0.0858 0.1315 0.1330 0.0111 -0.0603 -0.0030 9 PRO A CA 110 C C . PRO A 9 ? 0.1051 0.1356 0.1448 0.0052 -0.0450 0.0128 9 PRO A C 111 O O . PRO A 9 ? 0.1054 0.1296 0.1603 -0.0070 -0.0306 0.0088 9 PRO A O 112 C CB . PRO A 9 ? 0.1061 0.1581 0.1456 0.0172 -0.0597 -0.0036 9 PRO A CB 113 C CG . PRO A 9 ? 0.1437 0.1940 0.1534 0.0318 -0.0258 -0.0059 9 PRO A CG 114 C CD . PRO A 9 ? 0.0952 0.1544 0.1356 0.0143 -0.0441 -0.0169 9 PRO A CD 122 N N . ILE A 10 ? 0.0910 0.1360 0.1605 -0.0035 -0.0367 0.0239 10 ILE A N 123 C CA . ILE A 10 ? 0.0836 0.1391 0.1514 0.0083 -0.0428 0.0281 10 ILE A CA 124 C C . ILE A 10 ? 0.1027 0.1458 0.1639 0.0131 -0.0290 0.0285 10 ILE A C 125 O O . ILE A 10 ? 0.1265 0.1639 0.1902 -0.0044 0.0103 0.0369 10 ILE A O 126 C CB . ILE A 10 ? 0.1098 0.1448 0.1369 0.0156 -0.0422 0.0254 10 ILE A CB 127 C CG1 . ILE A 10 ? 0.1114 0.1427 0.1736 0.0070 -0.0366 0.0126 10 ILE A CG1 128 C CG2 . ILE A 10 ? 0.1263 0.1572 0.1242 0.0234 -0.0372 0.0104 10 ILE A CG2 129 C CD1 . ILE A 10 ? 0.1314 0.1430 0.1969 0.0242 -0.0249 0.0182 10 ILE A CD1 141 N N . ASP A 11 ? 0.0872 0.1363 0.1600 0.0024 -0.0419 0.0195 11 ASP A N 142 C CA . ASP A 11 ? 0.0827 0.1372 0.1819 -0.0118 -0.0483 0.0193 11 ASP A CA 143 C C . ASP A 11 ? 0.0971 0.1493 0.1788 -0.0237 -0.0656 0.0250 11 ASP A C 144 O O . ASP A 11 ? 0.1006 0.1506 0.1775 -0.0157 -0.0595 0.0235 11 ASP A O 145 C CB . ASP A 11 ? 0.0861 0.1360 0.1913 -0.0080 -0.0320 0.0389 11 ASP A CB 146 C CG . ASP A 11 ? 0.1077 0.1509 0.2136 0.0143 -0.0160 0.0384 11 ASP A CG 147 O OD1 . ASP A 11 ? 0.1036 0.1421 0.2048 0.0000 -0.0241 0.0339 11 ASP A OD1 148 O OD2 . ASP A 11 ? 0.1351 0.1675 0.2379 0.0175 0.0104 0.0299 11 ASP A OD2 153 N N . SER A 12 ? 0.1141 0.1728 0.1920 -0.0247 -0.0703 0.0419 12 SER A N 154 C CA . SER A 12 ? 0.1162 0.1943 0.2025 -0.0347 -0.0771 0.0416 12 SER A CA 155 C C . SER A 12 ? 0.1230 0.1896 0.2043 -0.0383 -0.0675 0.0410 12 SER A C 156 O O . SER A 12 ? 0.1589 0.1984 0.2046 -0.0476 -0.0560 0.0460 12 SER A O 157 C CB . SER A 12 ? 0.1367 0.2337 0.2268 -0.0471 -0.0884 0.0298 12 SER A CB 158 O OG . SER A 12 ? 0.1596 0.2704 0.2729 -0.0304 -0.0794 0.0291 12 SER A OG 164 N N . LEU A 13 ? 0.0971 0.1683 0.1973 -0.0211 -0.0666 0.0415 13 LEU A N 165 C CA . LEU A 13 ? 0.1019 0.1660 0.2055 -0.0251 -0.0631 0.0456 13 LEU A CA 166 C C . LEU A 13 ? 0.0888 0.1444 0.1910 -0.0304 -0.0528 0.0339 13 LEU A C 167 O O . LEU A 13 ? 0.1215 0.1328 0.2004 -0.0326 -0.0511 0.0348 13 LEU A O 168 C CB . LEU A 13 ? 0.1190 0.1901 0.2341 -0.0183 -0.0710 0.0570 13 LEU A CB 169 C CG . LEU A 13 ? 0.1408 0.2123 0.2824 -0.0074 -0.0685 0.0620 13 LEU A CG 170 C CD1 . LEU A 13 ? 0.1220 0.2250 0.3109 0.0233 -0.0579 0.0745 13 LEU A CD1 171 C CD2 . LEU A 13 ? 0.1706 0.2285 0.2841 -0.0196 -0.0732 0.0453 13 LEU A CD2 183 N N . ASP A 14 ? 0.0782 0.1368 0.1827 -0.0135 -0.0481 0.0289 14 ASP A N 184 C CA . ASP A 14 ? 0.0778 0.1408 0.1854 -0.0045 -0.0453 0.0286 14 ASP A CA 185 C C . ASP A 14 ? 0.0739 0.1331 0.1833 -0.0180 -0.0503 0.0211 14 ASP A C 186 O O . ASP A 14 ? 0.0964 0.1427 0.1851 -0.0254 -0.0567 0.0191 14 ASP A O 187 C CB . ASP A 14 ? 0.0744 0.1504 0.1937 0.0071 -0.0462 0.0324 14 ASP A CB 188 C CG . ASP A 14 ? 0.1035 0.1491 0.1895 0.0020 -0.0378 0.0279 14 ASP A CG 189 O OD1 . ASP A 14 ? 0.1525 0.1405 0.1785 -0.0092 -0.0217 0.0079 14 ASP A OD1 190 O OD2 . ASP A 14 ? 0.0988 0.1442 0.1961 0.0165 -0.0332 0.0293 14 ASP A OD2 195 N N . ASP A 15 ? 0.0858 0.1269 0.1916 0.0001 -0.0373 0.0188 15 ASP A N 196 C CA . ASP A 15 ? 0.1004 0.1296 0.1943 0.0095 -0.0417 0.0173 15 ASP A CA 197 C C . ASP A 15 ? 0.1197 0.1301 0.1812 0.0041 -0.0434 0.0176 15 ASP A C 198 O O . ASP A 15 ? 0.1350 0.1278 0.1603 -0.0013 -0.0544 0.0164 15 ASP A O 199 C CB . ASP A 15 ? 0.1012 0.1594 0.2264 0.0098 -0.0366 0.0196 15 ASP A CB 200 C CG . ASP A 15 ? 0.1302 0.1767 0.2666 0.0040 -0.0295 0.0344 15 ASP A CG 201 O OD1 . ASP A 15 ? 0.1606 0.1863 0.2861 0.0175 -0.0375 0.0599 15 ASP A OD1 202 O OD2 . ASP A 15 ? 0.1133 0.1851 0.2788 0.0054 -0.0385 0.0155 15 ASP A OD2 207 N N . ALA A 16 ? 0.1034 0.1266 0.1724 0.0012 -0.0585 0.0162 16 ALA A N 208 C CA . ALA A 16 ? 0.1025 0.1222 0.1611 -0.0073 -0.0370 0.0110 16 ALA A CA 209 C C . ALA A 16 ? 0.0846 0.1138 0.1501 -0.0222 -0.0320 0.0055 16 ALA A C 210 O O . ALA A 16 ? 0.0810 0.1190 0.1468 -0.0047 -0.0407 0.0140 16 ALA A O 211 C CB . ALA A 16 ? 0.1108 0.1310 0.1567 -0.0014 -0.0405 0.0027 16 ALA A CB 217 N N . TYR A 17 ? 0.0829 0.1076 0.1420 -0.0037 -0.0428 0.0119 17 TYR A N 218 C CA . TYR A 17 ? 0.0845 0.1136 0.1245 0.0061 -0.0429 0.0043 17 TYR A CA 219 C C . TYR A 17 ? 0.0852 0.1004 0.1069 0.0137 -0.0509 -0.0009 17 TYR A C 220 O O . TYR A 17 ? 0.1058 0.1061 0.1339 -0.0052 -0.0507 -0.0042 17 TYR A O 221 C CB . TYR A 17 ? 0.0898 0.1351 0.1530 0.0070 -0.0194 0.0157 17 TYR A CB 222 C CG . TYR A 17 ? 0.0905 0.1445 0.1442 -0.0048 -0.0354 0.0213 17 TYR A CG 223 C CD1 . TYR A 17 ? 0.0937 0.1542 0.1493 -0.0160 -0.0400 0.0147 17 TYR A CD1 224 C CD2 . TYR A 17 ? 0.0889 0.1460 0.1289 0.0035 -0.0327 0.0228 17 TYR A CD2 225 C CE1 . TYR A 17 ? 0.1107 0.1588 0.1467 -0.0329 -0.0374 0.0103 17 TYR A CE1 226 C CE2 . TYR A 17 ? 0.1004 0.1453 0.1253 -0.0053 -0.0476 0.0382 17 TYR A CE2 227 C CZ . TYR A 17 ? 0.0937 0.1555 0.1264 -0.0105 -0.0488 0.0383 17 TYR A CZ 228 O OH . TYR A 17 ? 0.1228 0.1677 0.1422 -0.0027 -0.0515 0.0388 17 TYR A OH 238 N N . ILE A 18 ? 0.0712 0.0970 0.1092 0.0095 -0.0172 -0.0113 18 ILE A N 239 C CA . ILE A 18 ? 0.0765 0.1051 0.1041 -0.0072 -0.0222 -0.0047 18 ILE A CA 240 C C . ILE A 18 ? 0.0824 0.1060 0.1102 -0.0052 -0.0176 -0.0082 18 ILE A C 241 O O . ILE A 18 ? 0.0876 0.1158 0.1173 0.0159 -0.0174 -0.0115 18 ILE A O 242 C CB . ILE A 18 ? 0.0732 0.1075 0.1225 -0.0144 -0.0226 0.0026 18 ILE A CB 243 C CG1 . ILE A 18 ? 0.0856 0.1201 0.1409 -0.0092 -0.0312 0.0136 18 ILE A CG1 244 C CG2 . ILE A 18 ? 0.0781 0.1114 0.1425 -0.0129 -0.0249 -0.0039 18 ILE A CG2 245 C CD1 . ILE A 18 ? 0.0882 0.1250 0.1501 -0.0157 -0.0358 0.0038 18 ILE A CD1 257 N N . THR A 19 ? 0.0727 0.0978 0.1117 -0.0065 -0.0269 -0.0054 19 THR A N 258 C CA . THR A 19 ? 0.0828 0.0880 0.1048 0.0034 -0.0260 -0.0052 19 THR A CA 259 C C . THR A 19 ? 0.0870 0.0917 0.0988 -0.0095 -0.0288 -0.0100 19 THR A C 260 O O . THR A 19 ? 0.0733 0.1042 0.1065 0.0052 -0.0241 -0.0214 19 THR A O 261 C CB . THR A 19 ? 0.0905 0.1012 0.1162 -0.0001 -0.0160 0.0027 19 THR A CB 262 O OG1 . THR A 19 ? 0.0804 0.1112 0.1160 -0.0050 -0.0135 -0.0019 19 THR A OG1 263 C CG2 . THR A 19 ? 0.0878 0.0939 0.1364 -0.0003 -0.0167 -0.0051 19 THR A CG2 271 N N . PRO A 20 ? 0.0905 0.0932 0.0996 0.0047 -0.0380 -0.0065 20 PRO A N 272 C CA . PRO A 20 ? 0.0905 0.0993 0.1021 0.0049 -0.0372 -0.0006 20 PRO A CA 273 C C . PRO A 20 ? 0.0851 0.0900 0.1117 0.0023 -0.0315 -0.0073 20 PRO A C 274 O O . PRO A 20 ? 0.0814 0.0993 0.1159 0.0004 -0.0301 0.0022 20 PRO A O 275 C CB . PRO A 20 ? 0.1053 0.0932 0.1190 -0.0024 -0.0347 -0.0037 20 PRO A CB 276 C CG . PRO A 20 ? 0.1126 0.0779 0.1053 -0.0047 -0.0336 -0.0033 20 PRO A CG 277 C CD . PRO A 20 ? 0.1076 0.0901 0.1027 0.0067 -0.0338 -0.0114 20 PRO A CD 285 N N . VAL A 21 ? 0.0863 0.0977 0.0927 -0.0002 -0.0371 -0.0064 21 VAL A N 286 C CA . VAL A 21 ? 0.0777 0.0910 0.1073 0.0162 -0.0434 0.0040 21 VAL A CA 287 C C . VAL A 21 ? 0.0875 0.1010 0.0995 0.0065 -0.0299 0.0087 21 VAL A C 288 O O . VAL A 21 ? 0.0961 0.1150 0.1115 0.0019 -0.0170 0.0042 21 VAL A O 289 C CB . VAL A 21 ? 0.0950 0.0857 0.1074 0.0085 -0.0464 -0.0034 21 VAL A CB 290 C CG1 . VAL A 21 ? 0.1117 0.0896 0.1193 -0.0012 -0.0482 -0.0145 21 VAL A CG1 291 C CG2 . VAL A 21 ? 0.1012 0.1014 0.1172 0.0095 -0.0484 -0.0040 21 VAL A CG2 301 N N . GLN A 22 ? 0.0868 0.0924 0.0962 0.0005 -0.0269 -0.0053 22 GLN A N 302 C CA . GLN A 22 ? 0.0941 0.0919 0.0907 -0.0091 -0.0263 0.0056 22 GLN A CA 303 C C . GLN A 22 ? 0.0905 0.1045 0.0981 -0.0172 -0.0339 0.0003 22 GLN A C 304 O O . GLN A 22 ? 0.1008 0.1361 0.1293 -0.0302 -0.0367 -0.0151 22 GLN A O 305 C CB . GLN A 22 ? 0.1030 0.0946 0.0992 -0.0077 -0.0269 0.0144 22 GLN A CB 306 C CG . GLN A 22 ? 0.0923 0.0990 0.1265 -0.0026 -0.0308 0.0043 22 GLN A CG 307 C CD . GLN A 22 ? 0.0890 0.0942 0.1378 -0.0148 -0.0314 -0.0069 22 GLN A CD 308 O OE1 . GLN A 22 ? 0.0910 0.1037 0.1312 -0.0072 -0.0261 -0.0102 22 GLN A OE1 309 N NE2 . GLN A 22 ? 0.1085 0.0861 0.1353 -0.0144 -0.0233 0.0112 22 GLN A NE2 318 N N . ILE A 23 ? 0.0999 0.1071 0.1075 -0.0111 -0.0248 -0.0108 23 ILE A N 319 C CA . ILE A 23 ? 0.1046 0.1104 0.1006 -0.0057 -0.0386 -0.0131 23 ILE A CA 320 C C . ILE A 23 ? 0.1099 0.1052 0.1094 -0.0075 -0.0290 -0.0062 23 ILE A C 321 O O . ILE A 23 ? 0.1345 0.1119 0.1231 -0.0206 -0.0245 -0.0014 23 ILE A O 322 C CB . ILE A 23 ? 0.1185 0.1252 0.1181 -0.0135 -0.0338 -0.0095 23 ILE A CB 323 C CG1 . ILE A 23 ? 0.1298 0.1235 0.1301 0.0205 -0.0398 0.0017 23 ILE A CG1 324 C CG2 . ILE A 23 ? 0.1320 0.1349 0.1310 -0.0152 -0.0308 -0.0213 23 ILE A CG2 325 C CD1 . ILE A 23 ? 0.1420 0.1360 0.1291 0.0235 -0.0349 -0.0070 23 ILE A CD1 337 N N . GLY A 24 ? 0.1215 0.1121 0.1084 -0.0064 -0.0447 0.0084 24 GLY A N 338 C CA . GLY A 24 ? 0.1295 0.1353 0.1232 -0.0060 -0.0469 0.0169 24 GLY A CA 339 C C . GLY A 24 ? 0.1489 0.1262 0.1194 0.0043 -0.0534 0.0011 24 GLY A C 340 O O . GLY A 24 ? 0.1649 0.1211 0.1288 0.0025 -0.0482 -0.0007 24 GLY A O 344 N N . THR A 25 ? 0.1643 0.1102 0.1244 0.0098 -0.0398 0.0056 25 THR A N 345 C CA . THR A 25 ? 0.1739 0.1079 0.1518 0.0076 -0.0452 0.0005 25 THR A CA 346 C C . THR A 25 ? 0.1918 0.1256 0.1425 0.0077 -0.0431 0.0078 25 THR A C 347 O O . THR A 25 ? 0.2064 0.1264 0.1546 0.0094 -0.0388 -0.0009 25 THR A O 348 C CB . THR A 25 ? 0.1859 0.1312 0.1610 0.0032 -0.0424 0.0101 25 THR A CB 349 O OG1 . THR A 25 ? 0.1732 0.1511 0.1618 0.0144 -0.0300 0.0248 25 THR A OG1 350 C CG2 . THR A 25 ? 0.2100 0.1415 0.1821 0.0211 -0.0342 0.0137 25 THR A CG2 358 N N . PRO A 26 ? 0.1988 0.1226 0.1411 0.0014 -0.0388 0.0096 26 PRO A N 359 C CA . PRO A 26 ? 0.1916 0.1134 0.1361 -0.0073 -0.0297 -0.0027 26 PRO A CA 360 C C . PRO A 26 ? 0.1761 0.1163 0.1191 0.0083 -0.0231 0.0055 26 PRO A C 361 O O . PRO A 26 ? 0.1793 0.1316 0.1202 0.0087 -0.0101 0.0057 26 PRO A O 362 C CB . PRO A 26 ? 0.2318 0.1191 0.1671 -0.0176 -0.0256 -0.0071 26 PRO A CB 363 C CG . PRO A 26 ? 0.2516 0.1390 0.1837 -0.0301 -0.0079 0.0071 26 PRO A CG 364 C CD . PRO A 26 ? 0.2377 0.1202 0.1588 -0.0117 -0.0154 0.0150 26 PRO A CD 372 N N . ALA A 27 ? 0.1793 0.1178 0.1224 0.0011 -0.0155 -0.0040 27 ALA A N 373 C CA . ALA A 27 ? 0.1655 0.1177 0.1263 -0.0084 -0.0239 -0.0097 27 ALA A CA 374 C C . ALA A 27 ? 0.1441 0.1135 0.1207 -0.0074 -0.0306 -0.0024 27 ALA A C 375 O O . ALA A 27 ? 0.1651 0.1075 0.1262 -0.0038 -0.0174 -0.0122 27 ALA A O 376 C CB . ALA A 27 ? 0.1732 0.1244 0.1358 0.0017 -0.0247 -0.0220 27 ALA A CB 382 N N . GLN A 28 ? 0.1282 0.1134 0.1231 -0.0238 -0.0353 0.0003 28 GLN A N 383 C CA . GLN A 28 ? 0.1281 0.1169 0.1202 -0.0176 -0.0366 0.0043 28 GLN A CA 384 C C . GLN A 28 ? 0.1130 0.1111 0.1168 -0.0107 -0.0507 0.0055 28 GLN A C 385 O O . GLN A 28 ? 0.1194 0.1156 0.1437 -0.0163 -0.0314 -0.0029 28 GLN A O 386 C CB . GLN A 28 ? 0.1251 0.1179 0.1197 -0.0119 -0.0420 0.0098 28 GLN A CB 387 C CG . GLN A 28 ? 0.1459 0.1388 0.1248 0.0018 -0.0385 0.0186 28 GLN A CG 388 C CD . GLN A 28 ? 0.1495 0.1355 0.1194 -0.0137 -0.0240 0.0159 28 GLN A CD 389 O OE1 . GLN A 28 ? 0.1669 0.1499 0.1392 0.0018 -0.0203 0.0069 28 GLN A OE1 390 N NE2 . GLN A 28 ? 0.1527 0.1363 0.1465 -0.0018 -0.0228 0.0067 28 GLN A NE2 399 N N . THR A 29 ? 0.1280 0.1156 0.1228 -0.0075 -0.0436 0.0106 29 THR A N 400 C CA . THR A 29 ? 0.0873 0.1039 0.1195 0.0009 -0.0324 0.0034 29 THR A CA 401 C C . THR A 29 ? 0.0805 0.1124 0.1292 -0.0104 -0.0271 0.0015 29 THR A C 402 O O . THR A 29 ? 0.1019 0.1131 0.1240 -0.0067 -0.0287 0.0011 29 THR A O 403 C CB . THR A 29 ? 0.0936 0.1021 0.1279 -0.0167 -0.0372 0.0004 29 THR A CB 404 O OG1 . THR A 29 ? 0.1174 0.1186 0.1212 -0.0024 -0.0368 0.0110 29 THR A OG1 405 C CG2 . THR A 29 ? 0.1268 0.1126 0.1305 -0.0162 -0.0311 0.0093 29 THR A CG2 413 N N . LEU A 30 ? 0.0817 0.1073 0.1329 -0.0053 -0.0351 0.0150 30 LEU A N 414 C CA . LEU A 30 ? 0.0849 0.0994 0.1309 -0.0063 -0.0398 0.0041 30 LEU A CA 415 C C . LEU A 30 ? 0.0821 0.1069 0.1240 -0.0017 -0.0486 -0.0079 30 LEU A C 416 O O . LEU A 30 ? 0.0890 0.1315 0.1229 0.0054 -0.0309 0.0025 30 LEU A O 417 C CB . LEU A 30 ? 0.0895 0.0980 0.1365 -0.0095 -0.0336 0.0077 30 LEU A CB 418 C CG . LEU A 30 ? 0.1087 0.1101 0.1372 -0.0050 -0.0182 -0.0006 30 LEU A CG 419 C CD1 . LEU A 30 ? 0.1176 0.1137 0.1322 -0.0157 -0.0067 -0.0115 30 LEU A CD1 420 C CD2 . LEU A 30 ? 0.1197 0.1114 0.1545 0.0027 -0.0200 0.0008 30 LEU A CD2 432 N N . ASN A 31 ? 0.0860 0.0947 0.1185 -0.0082 -0.0302 0.0034 31 ASN A N 433 C CA . ASN A 31 ? 0.0814 0.0896 0.1208 -0.0041 -0.0241 0.0048 31 ASN A CA 434 C C . ASN A 31 ? 0.0824 0.0863 0.1283 0.0085 -0.0314 0.0099 31 ASN A C 435 O O . ASN A 31 ? 0.0806 0.0953 0.1420 0.0010 -0.0362 0.0022 31 ASN A O 436 C CB . ASN A 31 ? 0.0826 0.0952 0.1293 -0.0110 -0.0251 -0.0064 31 ASN A CB 437 C CG . ASN A 31 ? 0.0870 0.1017 0.1468 -0.0178 -0.0319 -0.0082 31 ASN A CG 438 O OD1 . ASN A 31 ? 0.1098 0.1079 0.1562 -0.0083 -0.0396 -0.0186 31 ASN A OD1 439 N ND2 . ASN A 31 ? 0.1095 0.1060 0.1872 -0.0170 0.0175 -0.0216 31 ASN A ND2 446 N N . LEU A 32 ? 0.0754 0.0835 0.1215 -0.0080 -0.0265 -0.0106 32 LEU A N 447 C CA . LEU A 32 ? 0.0823 0.0880 0.1104 0.0015 -0.0381 -0.0153 32 LEU A CA 448 C C . LEU A 32 ? 0.0855 0.0852 0.1199 0.0059 -0.0434 -0.0156 32 LEU A C 449 O O . LEU A 32 ? 0.0943 0.0835 0.1146 0.0051 -0.0429 -0.0115 32 LEU A O 450 C CB . LEU A 32 ? 0.0801 0.1037 0.1054 0.0044 -0.0316 0.0001 32 LEU A CB 451 C CG . LEU A 32 ? 0.0702 0.1105 0.1201 -0.0068 -0.0367 0.0103 32 LEU A CG 452 C CD1 . LEU A 32 ? 0.0995 0.1209 0.1232 -0.0150 -0.0445 -0.0002 32 LEU A CD1 453 C CD2 . LEU A 32 ? 0.0827 0.1302 0.1314 -0.0171 -0.0154 -0.0007 32 LEU A CD2 465 N N . ASP A 33 ? 0.0863 0.0826 0.1145 0.0040 -0.0420 -0.0163 33 ASP A N 466 C CA . ASP A 33 ? 0.0721 0.0950 0.1080 0.0059 -0.0441 -0.0012 33 ASP A CA 467 C C . ASP A 33 ? 0.0768 0.0932 0.1124 0.0145 -0.0248 0.0041 33 ASP A C 468 O O . ASP A 33 ? 0.0890 0.1044 0.1152 0.0029 -0.0273 -0.0137 33 ASP A O 469 C CB . ASP A 33 ? 0.0832 0.1101 0.1241 0.0083 -0.0448 0.0061 33 ASP A CB 470 C CG . ASP A 33 ? 0.0807 0.1160 0.1366 0.0241 -0.0360 0.0032 33 ASP A CG 471 O OD1 . ASP A 33 ? 0.0872 0.1195 0.1580 0.0061 -0.0318 0.0199 33 ASP A OD1 472 O OD2 . ASP A 33 ? 0.0809 0.1347 0.1595 0.0169 -0.0113 0.0217 33 ASP A OD2 477 N N . PHE A 34 ? 0.0718 0.0957 0.1067 -0.0021 -0.0274 -0.0036 34 PHE A N 478 C CA . PHE A 34 ? 0.0798 0.1028 0.1203 0.0021 -0.0325 0.0060 34 PHE A CA 479 C C . PHE A 34 ? 0.0705 0.1026 0.1143 -0.0029 -0.0395 0.0085 34 PHE A C 480 O O . PHE A 34 ? 0.0814 0.1166 0.1082 -0.0018 -0.0295 -0.0001 34 PHE A O 481 C CB . PHE A 34 ? 0.0677 0.1043 0.1152 0.0050 -0.0299 -0.0018 34 PHE A CB 482 C CG . PHE A 34 ? 0.0622 0.0985 0.1121 0.0054 -0.0329 0.0033 34 PHE A CG 483 C CD1 . PHE A 34 ? 0.0847 0.0998 0.1314 0.0023 -0.0400 0.0019 34 PHE A CD1 484 C CD2 . PHE A 34 ? 0.0673 0.0999 0.1391 0.0083 -0.0314 0.0023 34 PHE A CD2 485 C CE1 . PHE A 34 ? 0.0800 0.1013 0.1391 -0.0064 -0.0302 -0.0023 34 PHE A CE1 486 C CE2 . PHE A 34 ? 0.0819 0.0989 0.1568 0.0086 -0.0404 -0.0005 34 PHE A CE2 487 C CZ . PHE A 34 ? 0.0895 0.0911 0.1497 0.0049 -0.0431 0.0056 34 PHE A CZ 497 N N . ASP A 35 ? 0.0738 0.0941 0.1246 -0.0105 -0.0528 0.0050 35 ASP A N 498 C CA . ASP A 35 ? 0.0851 0.0976 0.1130 -0.0106 -0.0396 -0.0005 35 ASP A CA 499 C C . ASP A 35 ? 0.0823 0.0900 0.1031 -0.0057 -0.0446 0.0007 35 ASP A C 500 O O . ASP A 35 ? 0.0837 0.0997 0.1121 -0.0021 -0.0486 -0.0077 35 ASP A O 501 C CB . ASP A 35 ? 0.0776 0.1058 0.1123 -0.0069 -0.0393 -0.0047 35 ASP A CB 502 C CG . ASP A 35 ? 0.0790 0.1213 0.1320 -0.0010 -0.0359 -0.0013 35 ASP A CG 503 O OD1 . ASP A 35 ? 0.1121 0.1299 0.1376 -0.0106 -0.0478 0.0105 35 ASP A OD1 504 O OD2 . ASP A 35 ? 0.1219 0.1296 0.1521 0.0184 -0.0305 -0.0258 35 ASP A OD2 509 N N . THR A 36 ? 0.0769 0.1032 0.1075 0.0003 -0.0497 0.0097 36 THR A N 510 C CA . THR A 36 ? 0.0835 0.1000 0.1195 -0.0077 -0.0503 -0.0007 36 THR A CA 511 C C . THR A 36 ? 0.0899 0.1096 0.1312 -0.0097 -0.0517 0.0088 36 THR A C 512 O O . THR A 36 ? 0.0984 0.1084 0.1360 -0.0227 -0.0419 0.0005 36 THR A O 513 C CB . THR A 36 ? 0.0715 0.1000 0.1288 0.0072 -0.0497 0.0144 36 THR A CB 514 O OG1 . THR A 36 ? 0.0744 0.1057 0.1045 0.0071 -0.0332 0.0196 36 THR A OG1 515 C CG2 . THR A 36 ? 0.0783 0.1093 0.1551 0.0129 -0.0322 0.0181 36 THR A CG2 523 N N . GLY A 37 ? 0.0800 0.0995 0.1194 -0.0168 -0.0514 0.0085 37 GLY A N 524 C CA . GLY A 37 ? 0.1069 0.1039 0.1235 0.0003 -0.0381 0.0184 37 GLY A CA 525 C C . GLY A 37 ? 0.0978 0.1073 0.1346 0.0134 -0.0594 0.0055 37 GLY A C 526 O O . GLY A 37 ? 0.1598 0.1061 0.1502 0.0375 -0.0292 -0.0012 37 GLY A O 530 N N . SER A 38 ? 0.0833 0.0968 0.1093 0.0028 -0.0453 -0.0046 38 SER A N 531 C CA . SER A 38 ? 0.1062 0.0990 0.1199 0.0058 -0.0362 -0.0088 38 SER A CA 532 C C . SER A 38 ? 0.0838 0.1001 0.1115 -0.0068 -0.0447 -0.0114 38 SER A C 533 O O . SER A 38 ? 0.0894 0.1043 0.1131 0.0001 -0.0431 -0.0146 38 SER A O 534 C CB . SER A 38 ? 0.1049 0.1078 0.1397 0.0076 -0.0453 -0.0079 38 SER A CB 535 O OG . SER A 38 ? 0.0931 0.1181 0.1590 -0.0011 -0.0345 0.0022 38 SER A OG 541 N N . SER A 39 ? 0.0895 0.1000 0.1044 0.0023 -0.0420 -0.0054 39 SER A N 542 C CA . SER A 39 ? 0.0819 0.1109 0.1125 0.0069 -0.0549 -0.0012 39 SER A CA 543 C C . SER A 39 ? 0.0836 0.1049 0.1252 0.0058 -0.0491 -0.0031 39 SER A C 544 O O . SER A 39 ? 0.1042 0.1205 0.1225 -0.0094 -0.0448 -0.0033 39 SER A O 545 C CB . SER A 39 ? 0.1034 0.1209 0.1185 -0.0094 -0.0420 -0.0008 39 SER A CB 546 O OG . SER A 39 ? 0.1214 0.1321 0.1260 -0.0151 -0.0583 0.0076 39 SER A OG 552 N N . ASP A 40 ? 0.0985 0.1170 0.1376 -0.0068 -0.0540 0.0021 40 ASP A N 553 C CA . ASP A 40 ? 0.0708 0.1090 0.1282 0.0000 -0.0522 -0.0056 40 ASP A CA 554 C C . ASP A 40 ? 0.0917 0.1042 0.1345 -0.0058 -0.0373 -0.0037 40 ASP A C 555 O O . ASP A 40 ? 0.1146 0.1080 0.1222 -0.0019 -0.0439 -0.0138 40 ASP A O 556 C CB . ASP A 40 ? 0.0958 0.1144 0.1336 0.0097 -0.0408 0.0087 40 ASP A CB 557 C CG . ASP A 40 ? 0.1086 0.1235 0.1292 0.0111 -0.0195 -0.0079 40 ASP A CG 558 O OD1 . ASP A 40 ? 0.1094 0.1290 0.1368 -0.0003 -0.0326 -0.0152 40 ASP A OD1 559 O OD2 . ASP A 40 ? 0.1480 0.1274 0.1299 0.0171 -0.0106 -0.0222 40 ASP A OD2 564 N N . LEU A 41 ? 0.0952 0.1020 0.1242 0.0007 -0.0401 0.0004 41 LEU A N 565 C CA . LEU A 41 ? 0.0872 0.1070 0.1175 0.0024 -0.0404 -0.0124 41 LEU A CA 566 C C . LEU A 41 ? 0.0849 0.1049 0.1168 0.0093 -0.0292 -0.0112 41 LEU A C 567 O O . LEU A 41 ? 0.0932 0.1170 0.1163 0.0086 -0.0305 -0.0090 41 LEU A O 568 C CB . LEU A 41 ? 0.0860 0.1150 0.1068 0.0081 -0.0236 0.0042 41 LEU A CB 569 C CG . LEU A 41 ? 0.0857 0.1187 0.1260 0.0043 -0.0299 -0.0047 41 LEU A CG 570 C CD1 . LEU A 41 ? 0.0990 0.1318 0.1423 0.0204 -0.0452 -0.0160 41 LEU A CD1 571 C CD2 . LEU A 41 ? 0.0956 0.1174 0.1263 -0.0075 -0.0238 -0.0087 41 LEU A CD2 583 N N . TRP A 42 ? 0.0782 0.1086 0.1200 0.0064 -0.0273 -0.0066 42 TRP A N 584 C CA . TRP A 42 ? 0.0863 0.1067 0.1199 0.0009 -0.0222 -0.0051 42 TRP A CA 585 C C . TRP A 42 ? 0.0749 0.1258 0.1188 -0.0009 -0.0197 -0.0180 42 TRP A C 586 O O . TRP A 42 ? 0.0853 0.1301 0.1132 -0.0007 -0.0178 -0.0128 42 TRP A O 587 C CB . TRP A 42 ? 0.0927 0.1034 0.1280 0.0071 -0.0371 -0.0096 42 TRP A CB 588 C CG . TRP A 42 ? 0.0780 0.1137 0.1359 0.0207 -0.0403 -0.0066 42 TRP A CG 589 C CD1 . TRP A 42 ? 0.0963 0.1213 0.1462 0.0250 -0.0276 0.0134 42 TRP A CD1 590 C CD2 . TRP A 42 ? 0.0929 0.1325 0.1432 0.0145 -0.0354 -0.0107 42 TRP A CD2 591 N NE1 . TRP A 42 ? 0.1024 0.1356 0.1538 0.0204 -0.0407 0.0180 42 TRP A NE1 592 C CE2 . TRP A 42 ? 0.0934 0.1393 0.1514 0.0045 -0.0417 0.0000 42 TRP A CE2 593 C CE3 . TRP A 42 ? 0.0988 0.1381 0.1496 0.0141 -0.0357 -0.0043 42 TRP A CE3 594 C CZ2 . TRP A 42 ? 0.1146 0.1564 0.1368 0.0033 -0.0357 -0.0070 42 TRP A CZ2 595 C CZ3 . TRP A 42 ? 0.1013 0.1493 0.1559 0.0123 -0.0316 0.0042 42 TRP A CZ3 596 C CH2 . TRP A 42 ? 0.1075 0.1661 0.1445 0.0049 -0.0315 -0.0046 42 TRP A CH2 607 N N . VAL A 43 ? 0.0821 0.1200 0.1161 0.0001 -0.0232 -0.0126 43 VAL A N 608 C CA . VAL A 43 ? 0.0913 0.1118 0.1094 0.0028 -0.0326 -0.0164 43 VAL A CA 609 C C . VAL A 43 ? 0.0929 0.1245 0.1271 0.0037 -0.0256 -0.0226 43 VAL A C 610 O O . VAL A 43 ? 0.1003 0.1358 0.1446 -0.0085 -0.0119 -0.0323 43 VAL A O 611 C CB . VAL A 43 ? 0.1097 0.1015 0.1387 0.0090 -0.0186 -0.0103 43 VAL A CB 612 C CG1 . VAL A 43 ? 0.1265 0.1107 0.1510 0.0164 -0.0050 -0.0093 43 VAL A CG1 613 C CG2 . VAL A 43 ? 0.0998 0.0977 0.1463 -0.0012 -0.0070 0.0103 43 VAL A CG2 623 N N . PHE A 44 ? 0.0842 0.1235 0.1290 -0.0174 -0.0363 0.0004 44 PHE A N 624 C CA . PHE A 44 ? 0.0776 0.1175 0.1429 -0.0180 -0.0266 -0.0045 44 PHE A CA 625 C C . PHE A 44 ? 0.1063 0.1271 0.1311 -0.0084 -0.0048 -0.0179 44 PHE A C 626 O O . PHE A 44 ? 0.1154 0.1254 0.1350 -0.0017 -0.0168 0.0038 44 PHE A O 627 C CB . PHE A 44 ? 0.0938 0.1402 0.1498 -0.0091 -0.0143 -0.0118 44 PHE A CB 628 C CG . PHE A 44 ? 0.0919 0.1586 0.1389 -0.0116 -0.0258 -0.0151 44 PHE A CG 629 C CD1 . PHE A 44 ? 0.1020 0.1610 0.1363 0.0047 -0.0336 -0.0126 44 PHE A CD1 630 C CD2 . PHE A 44 ? 0.0980 0.1650 0.1582 -0.0007 -0.0161 -0.0175 44 PHE A CD2 631 C CE1 . PHE A 44 ? 0.1038 0.1715 0.1326 0.0136 -0.0293 -0.0204 44 PHE A CE1 632 C CE2 . PHE A 44 ? 0.1054 0.1752 0.1604 -0.0054 -0.0282 -0.0213 44 PHE A CE2 633 C CZ . PHE A 44 ? 0.1096 0.1681 0.1394 0.0040 -0.0337 -0.0282 44 PHE A CZ 643 N N . SER A 45 ? 0.1087 0.1414 0.1384 0.0072 0.0011 -0.0041 45 SER A N 644 C CA . SER A 45 ? 0.1288 0.1577 0.1208 0.0008 -0.0103 0.0007 45 SER A CA 645 C C . SER A 45 ? 0.1326 0.1676 0.1261 0.0049 -0.0060 -0.0058 45 SER A C 646 O O . SER A 45 ? 0.1367 0.1721 0.1383 -0.0012 -0.0096 -0.0054 45 SER A O 647 C CB . SER A 45 ? 0.1431 0.1718 0.1639 -0.0044 -0.0087 -0.0009 45 SER A CB 648 O OG . SER A 45 ? 0.1531 0.1926 0.1762 0.0061 -0.0100 0.0099 45 SER A OG 654 N N . SER A 46 ? 0.1438 0.1737 0.1334 0.0026 0.0013 0.0094 46 SER A N 655 C CA . SER A 46 ? 0.1715 0.1928 0.1393 0.0009 0.0075 0.0203 46 SER A CA 656 C C . SER A 46 ? 0.1829 0.2013 0.1575 0.0071 0.0214 0.0158 46 SER A C 657 O O . SER A 46 ? 0.1915 0.2095 0.1672 -0.0015 0.0400 0.0029 46 SER A O 658 C CB . SER A 46 ? 0.2089 0.2077 0.1583 0.0113 0.0107 0.0320 46 SER A CB 659 O OG . SER A 46 ? 0.2076 0.2190 0.1675 0.0157 -0.0110 0.0259 46 SER A OG 665 N N . GLU A 47 ? 0.1598 0.1812 0.1463 0.0120 -0.0008 -0.0006 47 GLU A N 666 C CA . GLU A 47 ? 0.1497 0.1984 0.1360 0.0216 -0.0116 -0.0193 47 GLU A CA 667 C C . GLU A 47 ? 0.1426 0.2064 0.1424 0.0283 0.0059 -0.0176 47 GLU A C 668 O O . GLU A 47 ? 0.1642 0.2175 0.1692 0.0501 0.0014 -0.0189 47 GLU A O 669 C CB . GLU A 47 ? 0.1578 0.2135 0.1481 0.0123 -0.0018 -0.0279 47 GLU A CB 670 C CG . GLU A 47 ? 0.1859 0.2340 0.1519 0.0152 -0.0058 -0.0158 47 GLU A CG 671 C CD . GLU A 47 ? 0.2073 0.2428 0.1444 -0.0064 -0.0195 0.0100 47 GLU A CD 672 O OE1 . GLU A 47 ? 0.2143 0.2260 0.1578 -0.0204 -0.0184 0.0127 47 GLU A OE1 673 O OE2 . GLU A 47 ? 0.2260 0.2763 0.1438 -0.0027 -0.0137 -0.0025 47 GLU A OE2 680 N N . THR A 48 ? 0.1189 0.2001 0.1438 0.0156 0.0000 -0.0186 48 THR A N 681 C CA . THR A 48 ? 0.0998 0.1996 0.1587 0.0063 -0.0055 -0.0137 48 THR A CA 682 C C . THR A 48 ? 0.1061 0.2238 0.1838 0.0006 -0.0033 -0.0224 48 THR A C 683 O O . THR A 48 ? 0.1427 0.2320 0.2193 -0.0065 0.0153 -0.0078 48 THR A O 684 C CB . THR A 48 ? 0.1146 0.1879 0.1653 0.0084 -0.0102 -0.0055 48 THR A CB 685 O OG1 . THR A 48 ? 0.1237 0.1759 0.1290 0.0058 -0.0001 -0.0133 48 THR A OG1 686 C CG2 . THR A 48 ? 0.1276 0.2070 0.1897 0.0137 -0.0253 0.0047 48 THR A CG2 694 N N . THR A 49 ? 0.1193 0.2470 0.1919 0.0047 -0.0115 -0.0261 49 THR A N 695 C CA . THR A 49 ? 0.1419 0.2817 0.2230 0.0137 -0.0013 -0.0440 49 THR A CA 696 C C . THR A 49 ? 0.1288 0.2958 0.2053 0.0098 -0.0030 -0.0347 49 THR A C 697 O O . THR A 49 ? 0.1265 0.2976 0.1809 0.0128 -0.0254 -0.0461 49 THR A O 698 C CB . THR A 49 ? 0.1653 0.2956 0.2753 0.0304 0.0030 -0.0553 49 THR A CB 699 O OG1 . THR A 49 ? 0.1927 0.3118 0.3025 0.0461 0.0002 -0.0613 49 THR A OG1 700 C CG2 . THR A 49 ? 0.1507 0.2960 0.2969 0.0362 0.0020 -0.0585 49 THR A CG2 708 N N . ALA A 50 ? 0.1499 0.3132 0.2212 -0.0008 0.0392 -0.0194 50 ALA A N 709 C CA . ALA A 50 ? 0.1639 0.3295 0.2332 -0.0156 0.0419 -0.0101 50 ALA A CA 710 C C . ALA A 50 ? 0.1442 0.3422 0.2352 -0.0171 0.0282 -0.0297 50 ALA A C 711 O O . ALA A 50 ? 0.1395 0.3385 0.2392 -0.0243 0.0329 -0.0428 50 ALA A O 712 C CB . ALA A 50 ? 0.2036 0.3408 0.2525 -0.0358 0.0557 -0.0065 50 ALA A CB 718 N N . SER A 51 ? 0.1220 0.3599 0.2514 -0.0046 0.0233 -0.0213 51 SER A N 719 C CA . SER A 51 ? 0.1312 0.3695 0.2640 0.0079 0.0158 -0.0221 51 SER A CA 720 C C . SER A 51 ? 0.1208 0.3651 0.2611 0.0067 0.0034 -0.0187 51 SER A C 721 O O . SER A 51 ? 0.1136 0.3793 0.2669 0.0174 -0.0322 -0.0100 51 SER A O 722 C CB . SER A 51 ? 0.1291 0.3836 0.2786 0.0082 0.0172 -0.0416 51 SER A CB 723 O OG . SER A 51 ? 0.1724 0.3926 0.2869 0.0129 0.0312 -0.0531 51 SER A OG 729 N N . GLU A 52 ? 0.0987 0.3400 0.2482 0.0103 0.0027 -0.0297 52 GLU A N 730 C CA . GLU A 52 ? 0.1107 0.3177 0.2335 0.0116 0.0014 -0.0394 52 GLU A CA 731 C C . GLU A 52 ? 0.0948 0.2984 0.2088 0.0103 -0.0107 -0.0296 52 GLU A C 732 O O . GLU A 52 ? 0.1116 0.2889 0.1913 0.0227 -0.0031 -0.0154 52 GLU A O 733 C CB . GLU A 52 ? 0.1208 0.3160 0.2345 0.0121 -0.0200 -0.0447 52 GLU A CB 734 C CG . GLU A 52 ? 0.1391 0.3150 0.2382 0.0253 -0.0179 -0.0585 52 GLU A CG 735 C CD . GLU A 52 ? 0.1570 0.3154 0.2630 0.0265 -0.0079 -0.0649 52 GLU A CD 736 O OE1 . GLU A 52 ? 0.1577 0.3166 0.2276 0.0014 -0.0192 -0.0704 52 GLU A OE1 737 O OE2 . GLU A 52 ? 0.1865 0.3124 0.3085 0.0397 -0.0151 -0.0803 52 GLU A OE2 744 N N . VAL A 53 ? 0.0977 0.2962 0.1936 -0.0013 -0.0001 -0.0215 53 VAL A N 745 C CA . VAL A 53 ? 0.1058 0.2896 0.1901 -0.0082 0.0079 -0.0404 53 VAL A CA 746 C C . VAL A 53 ? 0.1015 0.2928 0.2255 -0.0160 -0.0019 -0.0437 53 VAL A C 747 O O . VAL A 53 ? 0.1280 0.3049 0.2322 -0.0469 0.0228 -0.0503 53 VAL A O 748 C CB . VAL A 53 ? 0.1119 0.2928 0.1896 -0.0235 0.0183 -0.0359 53 VAL A CB 749 C CG1 . VAL A 53 ? 0.1317 0.2993 0.2131 -0.0285 0.0116 -0.0231 53 VAL A CG1 750 C CG2 . VAL A 53 ? 0.1115 0.2917 0.1849 -0.0134 0.0014 -0.0465 53 VAL A CG2 760 N N . ASP A 54 ? 0.0861 0.2782 0.2284 -0.0169 -0.0233 -0.0466 54 ASP A N 761 C CA A ASP A 54 ? 0.1092 0.2829 0.2485 -0.0034 -0.0353 -0.0511 54 ASP A CA 762 C CA B ASP A 54 ? 0.1098 0.2790 0.2354 -0.0124 -0.0239 -0.0537 54 ASP A CA 763 C C . ASP A 54 ? 0.1059 0.2709 0.2380 -0.0143 -0.0328 -0.0510 54 ASP A C 764 O O . ASP A 54 ? 0.1461 0.2811 0.2540 -0.0007 -0.0174 -0.0477 54 ASP A O 765 C CB A ASP A 54 ? 0.1309 0.3048 0.2851 0.0118 -0.0593 -0.0519 54 ASP A CB 766 C CB B ASP A 54 ? 0.1337 0.2897 0.2418 -0.0103 -0.0217 -0.0632 54 ASP A CB 767 C CG A ASP A 54 ? 0.1465 0.3217 0.3244 0.0282 -0.0547 -0.0418 54 ASP A CG 768 C CG B ASP A 54 ? 0.1538 0.2974 0.2474 -0.0088 -0.0065 -0.0686 54 ASP A CG 769 O OD1 A ASP A 54 ? 0.1485 0.3260 0.3450 0.0159 -0.0452 -0.0551 54 ASP A OD1 770 O OD1 B ASP A 54 ? 0.1535 0.2974 0.2527 -0.0149 0.0066 -0.0754 54 ASP A OD1 771 O OD2 A ASP A 54 ? 0.1532 0.3352 0.3319 0.0489 -0.0648 -0.0273 54 ASP A OD2 772 O OD2 B ASP A 54 ? 0.1680 0.3038 0.2417 -0.0054 -0.0035 -0.0709 54 ASP A OD2 781 N N . GLY A 55 ? 0.1018 0.2471 0.2341 -0.0191 -0.0199 -0.0348 55 GLY A N 782 C CA . GLY A 55 ? 0.1088 0.2249 0.2421 -0.0131 -0.0105 -0.0337 55 GLY A CA 783 C C . GLY A 55 ? 0.1076 0.2005 0.2185 -0.0190 0.0001 -0.0178 55 GLY A C 784 O O . GLY A 55 ? 0.1218 0.1960 0.2327 -0.0267 0.0061 -0.0348 55 GLY A O 788 N N . GLN A 56 ? 0.0801 0.1938 0.1890 -0.0146 -0.0164 -0.0135 56 GLN A N 789 C CA . GLN A 56 ? 0.0926 0.1710 0.1714 -0.0166 -0.0169 -0.0016 56 GLN A CA 790 C C . GLN A 56 ? 0.1005 0.1721 0.1658 -0.0118 -0.0178 0.0106 56 GLN A C 791 O O . GLN A 56 ? 0.1166 0.1956 0.1781 -0.0073 -0.0093 0.0127 56 GLN A O 792 C CB . GLN A 56 ? 0.0878 0.1542 0.1715 -0.0098 -0.0295 0.0064 56 GLN A CB 793 C CG . GLN A 56 ? 0.0936 0.1544 0.1655 -0.0049 -0.0297 0.0041 56 GLN A CG 794 C CD . GLN A 56 ? 0.0999 0.1595 0.1722 -0.0029 -0.0337 -0.0050 56 GLN A CD 795 O OE1 . GLN A 56 ? 0.1043 0.1872 0.1705 -0.0071 -0.0328 -0.0122 56 GLN A OE1 796 N NE2 . GLN A 56 ? 0.1047 0.1643 0.1712 0.0219 -0.0425 -0.0113 56 GLN A NE2 805 N N . THR A 57 ? 0.0980 0.1445 0.1532 -0.0071 -0.0219 -0.0031 57 THR A N 806 C CA . THR A 57 ? 0.1041 0.1382 0.1483 -0.0088 -0.0142 -0.0001 57 THR A CA 807 C C . THR A 57 ? 0.1100 0.1436 0.1399 -0.0181 -0.0182 0.0057 57 THR A C 808 O O . THR A 57 ? 0.1276 0.1517 0.1605 -0.0353 -0.0167 0.0015 57 THR A O 809 C CB . THR A 57 ? 0.1105 0.1469 0.1568 -0.0125 -0.0311 -0.0038 57 THR A CB 810 O OG1 . THR A 57 ? 0.1328 0.1506 0.1826 -0.0253 -0.0213 -0.0109 57 THR A OG1 811 C CG2 . THR A 57 ? 0.1350 0.1497 0.1771 0.0017 -0.0265 0.0053 57 THR A CG2 819 N N . ILE A 58 ? 0.1061 0.1442 0.1353 -0.0166 -0.0277 0.0042 58 ILE A N 820 C CA . ILE A 58 ? 0.1111 0.1538 0.1537 -0.0063 -0.0343 0.0023 58 ILE A CA 821 C C . ILE A 58 ? 0.1216 0.1417 0.1556 -0.0069 -0.0342 0.0150 58 ILE A C 822 O O . ILE A 58 ? 0.1430 0.1390 0.1739 -0.0082 -0.0365 0.0030 58 ILE A O 823 C CB . ILE A 58 ? 0.1347 0.1825 0.1900 -0.0114 -0.0155 -0.0079 58 ILE A CB 824 C CG1 . ILE A 58 ? 0.1677 0.2118 0.1960 -0.0233 0.0165 0.0065 58 ILE A CG1 825 C CG2 . ILE A 58 ? 0.1636 0.1927 0.2105 -0.0063 -0.0140 0.0077 58 ILE A CG2 826 C CD1 . ILE A 58 ? 0.1992 0.2262 0.2071 -0.0503 0.0360 0.0069 58 ILE A CD1 838 N N . TYR A 59 ? 0.1098 0.1325 0.1490 -0.0063 -0.0259 0.0129 59 TYR A N 839 C CA . TYR A 59 ? 0.1053 0.1342 0.1315 0.0003 -0.0153 0.0096 59 TYR A CA 840 C C . TYR A 59 ? 0.1048 0.1390 0.1335 0.0026 -0.0046 0.0040 59 TYR A C 841 O O . TYR A 59 ? 0.1210 0.1435 0.1629 0.0173 -0.0046 -0.0029 59 TYR A O 842 C CB . TYR A 59 ? 0.1051 0.1422 0.1482 0.0039 -0.0075 0.0056 59 TYR A CB 843 C CG . TYR A 59 ? 0.1045 0.1370 0.1233 0.0016 -0.0283 0.0107 59 TYR A CG 844 C CD1 . TYR A 59 ? 0.0996 0.1445 0.1279 0.0078 -0.0276 -0.0086 59 TYR A CD1 845 C CD2 . TYR A 59 ? 0.1232 0.1384 0.1335 0.0029 -0.0286 0.0048 59 TYR A CD2 846 C CE1 . TYR A 59 ? 0.1115 0.1448 0.1299 0.0013 -0.0312 -0.0114 59 TYR A CE1 847 C CE2 . TYR A 59 ? 0.1292 0.1368 0.1464 0.0081 -0.0284 0.0166 59 TYR A CE2 848 C CZ . TYR A 59 ? 0.1113 0.1476 0.1420 -0.0007 -0.0443 0.0023 59 TYR A CZ 849 O OH . TYR A 59 ? 0.1405 0.1519 0.1531 -0.0083 -0.0432 0.0075 59 TYR A OH 859 N N . THR A 60 ? 0.1369 0.1385 0.1113 -0.0026 -0.0071 0.0238 60 THR A N 860 C CA . THR A 60 ? 0.1438 0.1444 0.1337 -0.0092 -0.0080 0.0159 60 THR A CA 861 C C . THR A 60 ? 0.1419 0.1421 0.1288 0.0050 -0.0197 0.0059 60 THR A C 862 O O . THR A 60 ? 0.1526 0.1592 0.1327 0.0143 -0.0279 0.0090 60 THR A O 863 C CB . THR A 60 ? 0.1471 0.1570 0.1459 -0.0208 -0.0217 0.0295 60 THR A CB 864 O OG1 . THR A 60 ? 0.1699 0.1784 0.1751 -0.0292 -0.0045 0.0354 60 THR A OG1 865 C CG2 . THR A 60 ? 0.1637 0.1645 0.1587 0.0000 -0.0200 0.0357 60 THR A CG2 873 N N . PRO A 61 ? 0.1592 0.1588 0.1232 -0.0079 -0.0177 0.0007 61 PRO A N 874 C CA . PRO A 61 ? 0.1782 0.1700 0.1232 -0.0208 -0.0240 0.0022 61 PRO A CA 875 C C . PRO A 61 ? 0.1806 0.1669 0.1317 -0.0240 -0.0317 -0.0023 61 PRO A C 876 O O . PRO A 61 ? 0.1944 0.1646 0.1509 -0.0087 -0.0331 0.0093 61 PRO A O 877 C CB . PRO A 61 ? 0.1922 0.1855 0.1602 -0.0179 -0.0150 0.0014 61 PRO A CB 878 C CG . PRO A 61 ? 0.1830 0.1861 0.1650 -0.0158 -0.0191 -0.0201 61 PRO A CG 879 C CD . PRO A 61 ? 0.1833 0.1678 0.1354 -0.0173 -0.0193 -0.0161 61 PRO A CD 887 N N . SER A 62 ? 0.1928 0.1741 0.1421 -0.0163 -0.0167 0.0037 62 SER A N 888 C CA . SER A 62 ? 0.2055 0.1853 0.1384 -0.0110 -0.0109 0.0177 62 SER A CA 889 C C . SER A 62 ? 0.2180 0.1808 0.1387 -0.0073 -0.0035 0.0222 62 SER A C 890 O O . SER A 62 ? 0.2560 0.2060 0.1598 0.0150 -0.0155 0.0298 62 SER A O 891 C CB . SER A 62 ? 0.2216 0.2214 0.1524 -0.0157 0.0218 0.0133 62 SER A CB 892 O OG . SER A 62 ? 0.2150 0.2580 0.1888 -0.0255 0.0272 0.0298 62 SER A OG 898 N N . LYS A 63 ? 0.1975 0.1732 0.1474 -0.0072 -0.0101 0.0207 63 LYS A N 899 C CA . LYS A 63 ? 0.1960 0.1804 0.1606 -0.0129 -0.0083 0.0191 63 LYS A CA 900 C C . LYS A 63 ? 0.1891 0.1695 0.1396 -0.0162 -0.0094 0.0139 63 LYS A C 901 O O . LYS A 63 ? 0.1889 0.1740 0.1591 -0.0314 -0.0140 0.0097 63 LYS A O 902 C CB . LYS A 63 ? 0.2124 0.2033 0.2019 -0.0298 -0.0124 0.0023 63 LYS A CB 903 C CG . LYS A 63 ? 0.2163 0.2275 0.2151 -0.0414 -0.0276 0.0018 63 LYS A CG 904 C CD . LYS A 63 ? 0.2621 0.2620 0.2507 -0.0442 -0.0116 0.0001 63 LYS A CD 911 N N . SER A 64 ? 0.1884 0.1595 0.1244 -0.0129 -0.0027 -0.0063 64 SER A N 912 C CA . SER A 64 ? 0.1842 0.1530 0.1345 -0.0207 -0.0229 0.0088 64 SER A CA 913 C C . SER A 64 ? 0.1963 0.1559 0.1458 -0.0080 -0.0310 0.0181 64 SER A C 914 O O . SER A 64 ? 0.1860 0.1647 0.1502 -0.0017 -0.0254 0.0065 64 SER A O 915 C CB . SER A 64 ? 0.1512 0.1492 0.1313 -0.0317 -0.0286 0.0189 64 SER A CB 916 O OG . SER A 64 ? 0.1401 0.1421 0.1572 -0.0058 -0.0238 -0.0004 64 SER A OG 922 N N . THR A 65 ? 0.2125 0.1589 0.1604 0.0049 -0.0367 0.0216 65 THR A N 923 C CA . THR A 65 ? 0.2327 0.1734 0.1647 0.0213 -0.0600 0.0282 65 THR A CA 924 C C . THR A 65 ? 0.2195 0.1792 0.1456 0.0369 -0.0753 0.0232 65 THR A C 925 O O . THR A 65 ? 0.2455 0.2161 0.1548 0.0145 -0.0836 0.0265 65 THR A O 926 C CB . THR A 65 ? 0.2769 0.1882 0.1986 0.0352 -0.0583 0.0308 65 THR A CB 927 O OG1 . THR A 65 ? 0.2857 0.1991 0.1903 0.0610 -0.0676 0.0177 65 THR A OG1 928 C CG2 . THR A 65 ? 0.3039 0.1867 0.2315 0.0204 -0.0508 0.0442 65 THR A CG2 936 N N . THR A 66 ? 0.1875 0.1636 0.1394 0.0369 -0.0531 0.0021 66 THR A N 937 C CA . THR A 66 ? 0.1740 0.1543 0.1414 0.0236 -0.0655 -0.0026 66 THR A CA 938 C C . THR A 66 ? 0.1736 0.1559 0.1585 0.0217 -0.0593 0.0070 66 THR A C 939 O O . THR A 66 ? 0.1810 0.1605 0.2064 0.0080 -0.0634 -0.0049 66 THR A O 940 C CB . THR A 66 ? 0.1668 0.1529 0.1642 0.0239 -0.0592 -0.0078 66 THR A CB 941 O OG1 . THR A 66 ? 0.1528 0.1492 0.1645 0.0140 -0.0504 -0.0051 66 THR A OG1 942 C CG2 . THR A 66 ? 0.1872 0.1650 0.1814 0.0334 -0.0629 -0.0249 66 THR A CG2 950 N N . ALA A 67 ? 0.1725 0.1415 0.1322 0.0264 -0.0516 0.0025 67 ALA A N 951 C CA . ALA A 67 ? 0.1680 0.1350 0.1219 0.0140 -0.0480 0.0016 67 ALA A CA 952 C C . ALA A 67 ? 0.1737 0.1481 0.1289 0.0141 -0.0590 -0.0069 67 ALA A C 953 O O . ALA A 67 ? 0.2227 0.1606 0.1250 0.0178 -0.0512 0.0088 67 ALA A O 954 C CB . ALA A 67 ? 0.1736 0.1382 0.1375 0.0150 -0.0430 0.0019 67 ALA A CB 960 N N . LYS A 68 ? 0.1601 0.1519 0.1379 0.0184 -0.0432 -0.0178 68 LYS A N 961 C CA . LYS A 68 ? 0.1566 0.1634 0.1533 0.0271 -0.0385 -0.0165 68 LYS A CA 962 C C . LYS A 68 ? 0.1478 0.1464 0.1437 0.0207 -0.0313 -0.0055 68 LYS A C 963 O O . LYS A 68 ? 0.1538 0.1458 0.1435 0.0271 -0.0146 -0.0011 68 LYS A O 964 C CB . LYS A 68 ? 0.1922 0.1946 0.1918 0.0312 -0.0466 -0.0137 68 LYS A CB 965 C CG . LYS A 68 ? 0.2463 0.2280 0.2442 0.0257 -0.0146 -0.0264 68 LYS A CG 970 N N . LEU A 69 ? 0.1553 0.1565 0.1263 0.0110 -0.0323 -0.0107 69 LEU A N 971 C CA . LEU A 69 ? 0.1576 0.1596 0.1312 0.0173 -0.0142 -0.0213 69 LEU A CA 972 C C . LEU A 69 ? 0.1349 0.1546 0.1306 0.0134 -0.0321 -0.0179 69 LEU A C 973 O O . LEU A 69 ? 0.1433 0.1707 0.1497 0.0196 -0.0323 -0.0080 69 LEU A O 974 C CB . LEU A 69 ? 0.1808 0.1716 0.1520 0.0388 0.0148 -0.0065 69 LEU A CB 975 C CG . LEU A 69 ? 0.1679 0.1832 0.1610 0.0350 0.0029 -0.0157 69 LEU A CG 976 C CD1 . LEU A 69 ? 0.1615 0.1833 0.1803 0.0326 0.0055 -0.0030 69 LEU A CD1 977 C CD2 . LEU A 69 ? 0.1725 0.1939 0.1601 0.0391 -0.0005 -0.0133 69 LEU A CD2 989 N N . LEU A 70 ? 0.1398 0.1485 0.1268 0.0141 -0.0420 -0.0392 70 LEU A N 990 C CA . LEU A 70 ? 0.1352 0.1532 0.1296 -0.0020 -0.0467 -0.0374 70 LEU A CA 991 C C . LEU A 70 ? 0.1113 0.1517 0.1319 0.0004 -0.0573 -0.0253 70 LEU A C 992 O O . LEU A 70 ? 0.1221 0.1603 0.1288 0.0186 -0.0516 -0.0363 70 LEU A O 993 C CB . LEU A 70 ? 0.1257 0.1417 0.1345 -0.0138 -0.0477 -0.0352 70 LEU A CB 994 C CG . LEU A 70 ? 0.1231 0.1515 0.1543 -0.0154 -0.0241 -0.0371 70 LEU A CG 995 C CD1 . LEU A 70 ? 0.1242 0.1818 0.1592 -0.0046 -0.0221 -0.0451 70 LEU A CD1 996 C CD2 . LEU A 70 ? 0.1585 0.1531 0.1497 -0.0357 0.0044 -0.0366 70 LEU A CD2 1008 N N . SER A 71 ? 0.1135 0.1469 0.1258 -0.0020 -0.0354 -0.0157 71 SER A N 1009 C CA . SER A 71 ? 0.1383 0.1559 0.1301 0.0082 -0.0282 -0.0195 71 SER A CA 1010 C C . SER A 71 ? 0.1215 0.1503 0.1234 0.0029 -0.0354 -0.0265 71 SER A C 1011 O O . SER A 71 ? 0.1281 0.1387 0.1815 -0.0166 -0.0099 -0.0203 71 SER A O 1012 C CB . SER A 71 ? 0.2215 0.1895 0.1459 0.0333 -0.0125 -0.0282 71 SER A CB 1013 O OG . SER A 71 ? 0.2880 0.2051 0.1526 0.0553 -0.0228 -0.0346 71 SER A OG 1019 N N . GLY A 72 ? 0.1316 0.1598 0.1138 0.0180 -0.0460 -0.0496 72 GLY A N 1020 C CA . GLY A 72 ? 0.1354 0.1685 0.1273 0.0147 -0.0600 -0.0425 72 GLY A CA 1021 C C . GLY A 72 ? 0.1654 0.1655 0.1204 0.0228 -0.0524 -0.0393 72 GLY A C 1022 O O . GLY A 72 ? 0.1876 0.1682 0.1313 0.0400 -0.0435 -0.0253 72 GLY A O 1026 N N . ALA A 73 ? 0.1601 0.1765 0.1171 0.0205 -0.0578 -0.0331 73 ALA A N 1027 C CA . ALA A 73 ? 0.1582 0.1705 0.1210 0.0235 -0.0538 -0.0243 73 ALA A CA 1028 C C . ALA A 73 ? 0.1466 0.1693 0.1298 0.0204 -0.0597 -0.0246 73 ALA A C 1029 O O . ALA A 73 ? 0.1579 0.1789 0.1515 0.0118 -0.0626 -0.0182 73 ALA A O 1030 C CB . ALA A 73 ? 0.1628 0.1797 0.1162 0.0230 -0.0214 -0.0207 73 ALA A CB 1036 N N . THR A 74 ? 0.1336 0.1677 0.1391 0.0289 -0.0524 -0.0286 74 THR A N 1037 C CA . THR A 74 ? 0.1325 0.1818 0.1376 0.0175 -0.0557 -0.0200 74 THR A CA 1038 C C . THR A 74 ? 0.1214 0.1784 0.1284 0.0107 -0.0564 -0.0325 74 THR A C 1039 O O . THR A 74 ? 0.1310 0.1928 0.1198 0.0194 -0.0611 -0.0357 74 THR A O 1040 C CB . THR A 74 ? 0.1440 0.2015 0.1490 0.0309 -0.0407 -0.0074 74 THR A CB 1041 O OG1 . THR A 74 ? 0.1668 0.2043 0.1642 0.0480 -0.0276 -0.0174 74 THR A OG1 1042 C CG2 . THR A 74 ? 0.1681 0.2213 0.1592 0.0268 -0.0298 -0.0009 74 THR A CG2 1050 N N . TRP A 75 ? 0.1164 0.1666 0.1256 0.0233 -0.0498 -0.0114 75 TRP A N 1051 C CA . TRP A 75 ? 0.1180 0.1617 0.1204 0.0146 -0.0341 -0.0191 75 TRP A CA 1052 C C . TRP A 75 ? 0.1400 0.1783 0.1326 0.0131 -0.0324 -0.0260 75 TRP A C 1053 O O . TRP A 75 ? 0.1235 0.1827 0.1315 0.0231 -0.0417 -0.0290 75 TRP A O 1054 C CB . TRP A 75 ? 0.1085 0.1605 0.1187 0.0059 -0.0411 -0.0152 75 TRP A CB 1055 C CG . TRP A 75 ? 0.1211 0.1503 0.1070 0.0118 -0.0415 -0.0194 75 TRP A CG 1056 C CD1 . TRP A 75 ? 0.1230 0.1557 0.1158 0.0201 -0.0464 -0.0182 75 TRP A CD1 1057 C CD2 . TRP A 75 ? 0.1179 0.1376 0.1182 0.0211 -0.0452 -0.0219 75 TRP A CD2 1058 N NE1 . TRP A 75 ? 0.1263 0.1594 0.1274 0.0164 -0.0514 -0.0210 75 TRP A NE1 1059 C CE2 . TRP A 75 ? 0.1184 0.1455 0.1210 0.0278 -0.0380 -0.0236 75 TRP A CE2 1060 C CE3 . TRP A 75 ? 0.1266 0.1465 0.1312 0.0282 -0.0500 -0.0255 75 TRP A CE3 1061 C CZ2 . TRP A 75 ? 0.1203 0.1506 0.1216 0.0170 -0.0334 -0.0322 75 TRP A CZ2 1062 C CZ3 . TRP A 75 ? 0.1246 0.1536 0.1303 0.0309 -0.0408 -0.0225 75 TRP A CZ3 1063 C CH2 . TRP A 75 ? 0.1191 0.1459 0.1344 0.0343 -0.0439 -0.0281 75 TRP A CH2 1074 N N . SER A 76 ? 0.1392 0.1812 0.1310 0.0225 -0.0458 -0.0131 76 SER A N 1075 C CA . SER A 76 ? 0.1426 0.1814 0.1640 0.0549 -0.0338 -0.0068 76 SER A CA 1076 C C . SER A 76 ? 0.1347 0.1747 0.1625 0.0428 -0.0305 -0.0220 76 SER A C 1077 O O . SER A 76 ? 0.1386 0.1655 0.1897 0.0253 -0.0455 -0.0192 76 SER A O 1078 C CB . SER A 76 ? 0.1582 0.2026 0.1965 0.0655 -0.0361 -0.0233 76 SER A CB 1079 O OG . SER A 76 ? 0.1752 0.2283 0.2330 0.0659 -0.0349 -0.0217 76 SER A OG 1085 N N . ILE A 77 ? 0.1323 0.1759 0.1411 0.0299 -0.0283 -0.0204 77 ILE A N 1086 C CA . ILE A 77 ? 0.1283 0.1832 0.1678 0.0193 -0.0360 -0.0113 77 ILE A CA 1087 C C . ILE A 77 ? 0.1675 0.2112 0.1972 0.0180 -0.0400 -0.0023 77 ILE A C 1088 O O . ILE A 77 ? 0.1597 0.2255 0.2003 0.0122 -0.0646 -0.0091 77 ILE A O 1089 C CB . ILE A 77 ? 0.1579 0.1837 0.1752 0.0255 -0.0220 -0.0127 77 ILE A CB 1090 C CG1 . ILE A 77 ? 0.1376 0.1914 0.1854 0.0307 -0.0420 -0.0164 77 ILE A CG1 1091 C CG2 . ILE A 77 ? 0.1705 0.1883 0.1835 0.0252 -0.0016 -0.0100 77 ILE A CG2 1092 C CD1 . ILE A 77 ? 0.1259 0.1989 0.1850 0.0339 -0.0452 -0.0106 77 ILE A CD1 1104 N N . SER A 78 ? 0.1802 0.2347 0.2193 0.0240 -0.0639 0.0118 78 SER A N 1105 C CA A SER A 78 ? 0.2070 0.2502 0.2335 0.0215 -0.0440 0.0213 78 SER A CA 1106 C CA B SER A 78 ? 0.2173 0.2610 0.2354 0.0309 -0.0499 0.0277 78 SER A CA 1107 C C . SER A 78 ? 0.2084 0.2625 0.2366 0.0133 -0.0476 0.0323 78 SER A C 1108 O O . SER A 78 ? 0.2287 0.2979 0.2456 -0.0120 -0.0712 0.0376 78 SER A O 1109 C CB A SER A 78 ? 0.2263 0.2528 0.2447 0.0229 -0.0157 0.0147 78 SER A CB 1110 C CB B SER A 78 ? 0.2563 0.2838 0.2552 0.0483 -0.0302 0.0324 78 SER A CB 1111 O OG A SER A 78 ? 0.2497 0.2524 0.2522 0.0179 0.0123 0.0048 78 SER A OG 1112 O OG B SER A 78 ? 0.3031 0.3008 0.2696 0.0561 -0.0134 0.0374 78 SER A OG 1123 N N . TYR A 79 ? 0.1864 0.2407 0.2393 0.0353 -0.0425 0.0350 79 TYR A N 1124 C CA . TYR A 79 ? 0.1904 0.2310 0.2389 0.0555 -0.0235 0.0335 79 TYR A CA 1125 C C . TYR A 79 ? 0.2379 0.2487 0.2769 0.0797 -0.0021 0.0428 79 TYR A C 1126 O O . TYR A 79 ? 0.2422 0.2388 0.2844 0.0942 0.0164 0.0386 79 TYR A O 1127 C CB . TYR A 79 ? 0.1661 0.2106 0.2178 0.0444 -0.0269 0.0240 79 TYR A CB 1128 C CG . TYR A 79 ? 0.1455 0.1937 0.2163 0.0415 -0.0082 0.0104 79 TYR A CG 1129 C CD1 . TYR A 79 ? 0.1239 0.1842 0.2097 0.0195 -0.0103 0.0101 79 TYR A CD1 1130 C CD2 . TYR A 79 ? 0.1155 0.1933 0.1929 0.0274 -0.0373 -0.0044 79 TYR A CD2 1131 C CE1 . TYR A 79 ? 0.1054 0.1780 0.1870 0.0119 -0.0074 0.0014 79 TYR A CE1 1132 C CE2 . TYR A 79 ? 0.1106 0.1849 0.1803 0.0022 -0.0380 -0.0107 79 TYR A CE2 1133 C CZ . TYR A 79 ? 0.1139 0.1714 0.1666 0.0166 -0.0208 -0.0007 79 TYR A CZ 1134 O OH . TYR A 79 ? 0.1120 0.1636 0.1579 0.0002 -0.0266 0.0119 79 TYR A OH 1144 N N . GLY A 80 ? 0.2622 0.2666 0.2921 0.0848 -0.0010 0.0661 80 GLY A N 1145 C CA . GLY A 80 ? 0.3025 0.2832 0.3026 0.0975 0.0041 0.0797 80 GLY A CA 1146 C C . GLY A 80 ? 0.3283 0.2966 0.3112 0.1130 -0.0016 0.0871 80 GLY A C 1147 O O . GLY A 80 ? 0.3628 0.3056 0.3418 0.1154 -0.0006 0.0979 80 GLY A O 1151 N N . ASP A 81 ? 0.3355 0.3113 0.2999 0.1010 -0.0078 0.0722 81 ASP A N 1152 C CA . ASP A 81 ? 0.3419 0.3189 0.2890 0.0852 -0.0472 0.0515 81 ASP A CA 1153 C C . ASP A 81 ? 0.3080 0.3156 0.2917 0.0700 -0.0743 0.0417 81 ASP A C 1154 O O . ASP A 81 ? 0.3068 0.3342 0.3089 0.0502 -0.1015 0.0297 81 ASP A O 1155 C CB . ASP A 81 ? 0.3778 0.3263 0.2765 0.0871 -0.0599 0.0428 81 ASP A CB 1156 C CG . ASP A 81 ? 0.3975 0.3260 0.2727 0.0842 -0.0860 0.0237 81 ASP A CG 1157 O OD1 . ASP A 81 ? 0.3869 0.3173 0.2598 0.0819 -0.0875 -0.0003 81 ASP A OD1 1158 O OD2 . ASP A 81 ? 0.4217 0.3406 0.2800 0.0795 -0.0997 0.0140 81 ASP A OD2 1163 N N . GLY A 82 ? 0.2857 0.2845 0.2752 0.0853 -0.0656 0.0524 82 GLY A N 1164 C CA . GLY A 82 ? 0.2755 0.2706 0.2749 0.0783 -0.0504 0.0597 82 GLY A CA 1165 C C . GLY A 82 ? 0.2475 0.2608 0.2572 0.0706 -0.0556 0.0452 82 GLY A C 1166 O O . GLY A 82 ? 0.2571 0.2700 0.2873 0.0610 -0.0449 0.0303 82 GLY A O 1170 N N . SER A 83 ? 0.2056 0.2446 0.2198 0.0686 -0.0675 0.0350 83 SER A N 1171 C CA . SER A 83 ? 0.1733 0.2377 0.2140 0.0428 -0.0802 0.0171 83 SER A CA 1172 C C . SER A 83 ? 0.1555 0.2366 0.2014 0.0262 -0.0810 0.0082 83 SER A C 1173 O O . SER A 83 ? 0.1639 0.2505 0.2115 0.0223 -0.0702 0.0042 83 SER A O 1174 C CB . SER A 83 ? 0.1611 0.2353 0.2378 0.0473 -0.0763 0.0144 83 SER A CB 1175 O OG . SER A 83 ? 0.1653 0.2395 0.2628 0.0622 -0.0632 -0.0032 83 SER A OG 1181 N N . SER A 84 ? 0.1402 0.2296 0.1954 0.0337 -0.0697 0.0009 84 SER A N 1182 C CA . SER A 84 ? 0.1279 0.2151 0.2001 0.0362 -0.0590 -0.0023 84 SER A CA 1183 C C . SER A 84 ? 0.1448 0.2128 0.1854 0.0288 -0.0528 -0.0117 84 SER A C 1184 O O . SER A 84 ? 0.1477 0.2285 0.1819 0.0340 -0.0517 0.0004 84 SER A O 1185 C CB . SER A 84 ? 0.1572 0.2215 0.2244 0.0434 -0.0431 -0.0082 84 SER A CB 1186 O OG . SER A 84 ? 0.1843 0.2342 0.2472 0.0338 -0.0446 -0.0223 84 SER A OG 1192 N N . SER A 85 ? 0.1378 0.1972 0.1781 0.0419 -0.0587 -0.0054 85 SER A N 1193 C CA . SER A 85 ? 0.1291 0.1826 0.1554 0.0287 -0.0687 -0.0104 85 SER A CA 1194 C C . SER A 85 ? 0.1181 0.1713 0.1563 0.0270 -0.0605 -0.0140 85 SER A C 1195 O O . SER A 85 ? 0.1283 0.1665 0.1669 0.0159 -0.0380 -0.0084 85 SER A O 1196 C CB . SER A 85 ? 0.1337 0.1936 0.1668 0.0213 -0.0479 -0.0056 85 SER A CB 1197 O OG . SER A 85 ? 0.1436 0.2100 0.1573 0.0300 -0.0387 -0.0155 85 SER A OG 1203 N N . SER A 86 ? 0.1094 0.1664 0.1589 0.0369 -0.0596 -0.0209 86 SER A N 1204 C CA . SER A 86 ? 0.1093 0.1679 0.1439 0.0294 -0.0502 -0.0310 86 SER A CA 1205 C C . SER A 86 ? 0.1099 0.1757 0.1243 0.0208 -0.0415 -0.0283 86 SER A C 1206 O O . SER A 86 ? 0.1225 0.1664 0.1264 0.0202 -0.0264 -0.0365 86 SER A O 1207 C CB . SER A 86 ? 0.1113 0.1735 0.1660 0.0109 -0.0566 -0.0368 86 SER A CB 1208 O OG . SER A 86 ? 0.1282 0.1894 0.2086 0.0043 -0.0308 -0.0463 86 SER A OG 1214 N N . GLY A 87 ? 0.1127 0.1862 0.1126 0.0273 -0.0373 -0.0247 87 GLY A N 1215 C CA . GLY A 87 ? 0.0947 0.1748 0.1277 0.0304 -0.0391 -0.0277 87 GLY A CA 1216 C C . GLY A 87 ? 0.1149 0.1750 0.1411 0.0316 -0.0407 -0.0325 87 GLY A C 1217 O O . GLY A 87 ? 0.1189 0.1667 0.1482 0.0240 -0.0377 -0.0395 87 GLY A O 1221 N N . ASP A 88 ? 0.1399 0.1762 0.1305 0.0307 -0.0488 -0.0267 88 ASP A N 1222 C CA . ASP A 88 ? 0.1361 0.1831 0.1326 0.0271 -0.0379 -0.0164 88 ASP A CA 1223 C C . ASP A 88 ? 0.1257 0.1601 0.1052 0.0151 -0.0506 -0.0226 88 ASP A C 1224 O O . ASP A 88 ? 0.1248 0.1527 0.1108 0.0097 -0.0513 -0.0190 88 ASP A O 1225 C CB . ASP A 88 ? 0.1508 0.2097 0.1433 0.0258 -0.0432 0.0003 88 ASP A CB 1226 C CG . ASP A 88 ? 0.2021 0.2317 0.1525 0.0145 -0.0145 0.0096 88 ASP A CG 1227 O OD1 . ASP A 88 ? 0.1924 0.2124 0.1466 0.0104 -0.0157 0.0022 88 ASP A OD1 1228 O OD2 . ASP A 88 ? 0.2691 0.2607 0.1675 -0.0124 0.0064 -0.0003 88 ASP A OD2 1233 N N . VAL A 89 ? 0.1257 0.1644 0.1025 0.0035 -0.0329 -0.0147 89 VAL A N 1234 C CA . VAL A 89 ? 0.1240 0.1558 0.1000 -0.0004 -0.0402 -0.0174 89 VAL A CA 1235 C C . VAL A 89 ? 0.1110 0.1660 0.1005 -0.0032 -0.0391 -0.0218 89 VAL A C 1236 O O . VAL A 89 ? 0.1348 0.1648 0.0892 0.0064 -0.0411 -0.0204 89 VAL A O 1237 C CB . VAL A 89 ? 0.1216 0.1522 0.1202 -0.0114 -0.0268 -0.0182 89 VAL A CB 1238 C CG1 . VAL A 89 ? 0.1389 0.1579 0.1377 -0.0180 -0.0061 -0.0028 89 VAL A CG1 1239 C CG2 . VAL A 89 ? 0.1392 0.1511 0.1127 -0.0088 -0.0253 0.0007 89 VAL A CG2 1249 N N . TYR A 90 ? 0.1238 0.1635 0.1059 0.0135 -0.0411 -0.0108 90 TYR A N 1250 C CA . TYR A 90 ? 0.1307 0.1699 0.1186 0.0082 -0.0355 -0.0002 90 TYR A CA 1251 C C . TYR A 90 ? 0.1177 0.1852 0.1215 0.0121 -0.0641 -0.0041 90 TYR A C 1252 O O . TYR A 90 ? 0.1519 0.2270 0.1358 0.0445 -0.0419 0.0084 90 TYR A O 1253 C CB . TYR A 90 ? 0.1425 0.1646 0.1392 -0.0020 -0.0427 -0.0131 90 TYR A CB 1254 C CG . TYR A 90 ? 0.1408 0.1754 0.1539 -0.0247 -0.0416 -0.0042 90 TYR A CG 1255 C CD1 . TYR A 90 ? 0.1374 0.1859 0.1547 -0.0336 -0.0551 0.0043 90 TYR A CD1 1256 C CD2 . TYR A 90 ? 0.1463 0.1910 0.1481 -0.0229 -0.0461 0.0213 90 TYR A CD2 1257 C CE1 . TYR A 90 ? 0.1436 0.2060 0.1668 -0.0449 -0.0317 0.0163 90 TYR A CE1 1258 C CE2 . TYR A 90 ? 0.1508 0.2118 0.1615 -0.0354 -0.0386 0.0327 90 TYR A CE2 1259 C CZ . TYR A 90 ? 0.1526 0.2306 0.1686 -0.0420 -0.0313 0.0288 90 TYR A CZ 1260 O OH . TYR A 90 ? 0.1866 0.2638 0.1792 -0.0308 -0.0224 0.0208 90 TYR A OH 1270 N N . THR A 91 ? 0.1200 0.1504 0.1370 0.0067 -0.0489 -0.0073 91 THR A N 1271 C CA . THR A 91 ? 0.1232 0.1464 0.1494 0.0028 -0.0512 -0.0160 91 THR A CA 1272 C C . THR A 91 ? 0.1161 0.1349 0.1392 0.0015 -0.0313 -0.0026 91 THR A C 1273 O O . THR A 91 ? 0.1383 0.1451 0.1349 0.0085 -0.0334 -0.0006 91 THR A O 1274 C CB . THR A 91 ? 0.1477 0.1572 0.2106 0.0085 -0.0573 -0.0261 91 THR A CB 1275 O OG1 . THR A 91 ? 0.1509 0.1653 0.2074 0.0234 -0.0750 -0.0296 91 THR A OG1 1276 C CG2 . THR A 91 ? 0.1505 0.1548 0.2352 -0.0001 -0.0531 -0.0285 91 THR A CG2 1284 N N . ASP A 92 ? 0.1148 0.1265 0.1372 0.0018 -0.0339 0.0028 92 ASP A N 1285 C CA . ASP A 92 ? 0.1135 0.1238 0.1213 0.0091 -0.0371 -0.0004 92 ASP A CA 1286 C C . ASP A 92 ? 0.1170 0.1230 0.1150 0.0041 -0.0308 0.0044 92 ASP A C 1287 O O . ASP A 92 ? 0.1264 0.1272 0.1201 0.0050 -0.0256 -0.0036 92 ASP A O 1288 C CB . ASP A 92 ? 0.1237 0.1333 0.1029 0.0144 -0.0458 -0.0028 92 ASP A CB 1289 C CG . ASP A 92 ? 0.1109 0.1424 0.1214 0.0098 -0.0444 -0.0089 92 ASP A CG 1290 O OD1 . ASP A 92 ? 0.1292 0.1529 0.1159 0.0151 -0.0351 0.0017 92 ASP A OD1 1291 O OD2 . ASP A 92 ? 0.1173 0.1401 0.1274 -0.0021 -0.0367 0.0034 92 ASP A OD2 1296 N N . THR A 93 ? 0.1132 0.1299 0.1217 0.0117 -0.0286 0.0008 93 THR A N 1297 C CA . THR A 93 ? 0.1214 0.1305 0.1153 0.0167 -0.0419 0.0030 93 THR A CA 1298 C C . THR A 93 ? 0.1185 0.1263 0.1183 -0.0051 -0.0462 0.0064 93 THR A C 1299 O O . THR A 93 ? 0.1213 0.1601 0.1399 -0.0086 -0.0345 0.0087 93 THR A O 1300 C CB . THR A 93 ? 0.1528 0.1559 0.1375 0.0356 -0.0564 0.0047 93 THR A CB 1301 O OG1 . THR A 93 ? 0.1670 0.1689 0.1659 0.0537 -0.0545 0.0051 93 THR A OG1 1302 C CG2 . THR A 93 ? 0.1823 0.1698 0.1554 0.0417 -0.0391 -0.0015 93 THR A CG2 1310 N N . VAL A 94 ? 0.1013 0.1238 0.1150 0.0060 -0.0440 -0.0074 94 VAL A N 1311 C CA . VAL A 94 ? 0.0948 0.1165 0.1187 0.0081 -0.0365 0.0003 94 VAL A CA 1312 C C . VAL A 94 ? 0.0831 0.1196 0.1340 0.0077 -0.0351 0.0079 94 VAL A C 1313 O O . VAL A 94 ? 0.0921 0.1270 0.1362 0.0047 -0.0378 0.0086 94 VAL A O 1314 C CB . VAL A 94 ? 0.0974 0.1105 0.1364 0.0161 -0.0372 -0.0098 94 VAL A CB 1315 C CG1 . VAL A 94 ? 0.1027 0.1179 0.1422 0.0061 -0.0490 0.0006 94 VAL A CG1 1316 C CG2 . VAL A 94 ? 0.1113 0.1058 0.1526 0.0180 -0.0285 -0.0120 94 VAL A CG2 1326 N N . SER A 95 ? 0.0735 0.1195 0.1219 -0.0023 -0.0243 0.0027 95 SER A N 1327 C CA . SER A 95 ? 0.0897 0.1121 0.1182 0.0085 -0.0334 0.0076 95 SER A CA 1328 C C . SER A 95 ? 0.0747 0.1113 0.1243 0.0054 -0.0426 0.0028 95 SER A C 1329 O O . SER A 95 ? 0.0858 0.1297 0.1206 -0.0040 -0.0394 0.0056 95 SER A O 1330 C CB . SER A 95 ? 0.1334 0.1304 0.1432 0.0043 -0.0520 0.0125 95 SER A CB 1331 O OG . SER A 95 ? 0.1434 0.1519 0.1531 0.0164 -0.0396 0.0111 95 SER A OG 1337 N N . VAL A 96 ? 0.0875 0.1103 0.1275 0.0055 -0.0379 0.0124 96 VAL A N 1338 C CA . VAL A 96 ? 0.0796 0.1201 0.1165 0.0073 -0.0406 0.0127 96 VAL A CA 1339 C C . VAL A 96 ? 0.0728 0.1185 0.1184 0.0062 -0.0412 0.0022 96 VAL A C 1340 O O . VAL A 96 ? 0.0677 0.1272 0.1544 0.0045 -0.0353 -0.0036 96 VAL A O 1341 C CB . VAL A 96 ? 0.0872 0.1160 0.1312 0.0081 -0.0180 0.0288 96 VAL A CB 1342 C CG1 . VAL A 96 ? 0.1218 0.1212 0.1346 0.0064 -0.0140 0.0379 96 VAL A CG1 1343 C CG2 . VAL A 96 ? 0.0957 0.1016 0.1369 0.0134 -0.0281 0.0078 96 VAL A CG2 1353 N N . GLY A 97 ? 0.0978 0.1176 0.1328 -0.0079 -0.0313 -0.0115 97 GLY A N 1354 C CA . GLY A 97 ? 0.1222 0.1293 0.1575 -0.0074 -0.0174 -0.0161 97 GLY A CA 1355 C C . GLY A 97 ? 0.1171 0.1213 0.1477 0.0044 -0.0291 -0.0139 97 GLY A C 1356 O O . GLY A 97 ? 0.1130 0.1214 0.1467 0.0168 -0.0286 0.0017 97 GLY A O 1360 N N . GLY A 98 ? 0.1146 0.1308 0.1611 0.0188 -0.0287 0.0030 98 GLY A N 1361 C CA . GLY A 98 ? 0.1301 0.1441 0.1640 0.0323 -0.0231 0.0230 98 GLY A CA 1362 C C . GLY A 98 ? 0.1290 0.1573 0.1743 0.0261 -0.0228 0.0218 98 GLY A C 1363 O O . GLY A 98 ? 0.1525 0.1660 0.2241 0.0430 -0.0408 0.0272 98 GLY A O 1367 N N . LEU A 99 ? 0.1085 0.1587 0.1341 0.0163 -0.0353 -0.0076 99 LEU A N 1368 C CA . LEU A 99 ? 0.0874 0.1492 0.1206 0.0154 -0.0312 0.0069 99 LEU A CA 1369 C C . LEU A 99 ? 0.0957 0.1533 0.1177 0.0206 -0.0294 0.0137 99 LEU A C 1370 O O . LEU A 99 ? 0.0941 0.1517 0.1301 0.0111 -0.0326 0.0222 99 LEU A O 1371 C CB . LEU A 99 ? 0.0845 0.1562 0.1234 0.0061 -0.0226 0.0113 99 LEU A CB 1372 C CG . LEU A 99 ? 0.0940 0.1685 0.1400 -0.0009 -0.0363 0.0162 99 LEU A CG 1373 C CD1 . LEU A 99 ? 0.1069 0.1816 0.1551 -0.0087 -0.0393 0.0378 99 LEU A CD1 1374 C CD2 . LEU A 99 ? 0.1037 0.1710 0.1414 -0.0030 -0.0332 0.0083 99 LEU A CD2 1386 N N . THR A 100 ? 0.0880 0.1596 0.1340 0.0150 -0.0314 0.0132 100 THR A N 1387 C CA . THR A 100 ? 0.1108 0.1672 0.1449 0.0209 -0.0417 0.0264 100 THR A CA 1388 C C . THR A 100 ? 0.1010 0.1684 0.1555 0.0165 -0.0509 0.0118 100 THR A C 1389 O O . THR A 100 ? 0.1025 0.1849 0.1747 0.0150 -0.0533 -0.0088 100 THR A O 1390 C CB . THR A 100 ? 0.1246 0.1701 0.1631 0.0214 -0.0510 0.0296 100 THR A CB 1391 O OG1 . THR A 100 ? 0.1561 0.1558 0.1679 0.0091 -0.0341 0.0276 100 THR A OG1 1392 C CG2 . THR A 100 ? 0.1297 0.1778 0.1807 0.0193 -0.0369 0.0291 100 THR A CG2 1400 N N . VAL A 101 ? 0.1074 0.1555 0.1527 0.0118 -0.0390 0.0120 101 VAL A N 1401 C CA . VAL A 101 ? 0.1192 0.1612 0.1590 0.0056 -0.0434 0.0130 101 VAL A CA 1402 C C . VAL A 101 ? 0.0944 0.1761 0.1540 -0.0062 -0.0536 0.0056 101 VAL A C 1403 O O . VAL A 101 ? 0.1107 0.2019 0.1506 -0.0185 -0.0472 -0.0001 101 VAL A O 1404 C CB . VAL A 101 ? 0.1286 0.1451 0.1814 -0.0065 -0.0386 0.0109 101 VAL A CB 1405 C CG1 . VAL A 101 ? 0.1424 0.1231 0.2053 0.0079 -0.0237 0.0114 101 VAL A CG1 1406 C CG2 . VAL A 101 ? 0.1281 0.1657 0.2006 -0.0103 -0.0363 0.0304 101 VAL A CG2 1416 N N . THR A 102 ? 0.1044 0.1790 0.1603 0.0226 -0.0504 0.0002 102 THR A N 1417 C CA . THR A 102 ? 0.1308 0.1827 0.1688 0.0307 -0.0666 -0.0069 102 THR A CA 1418 C C . THR A 102 ? 0.1270 0.1730 0.1667 0.0282 -0.0818 -0.0078 102 THR A C 1419 O O . THR A 102 ? 0.1533 0.1757 0.1841 0.0091 -0.0621 -0.0226 102 THR A O 1420 C CB . THR A 102 ? 0.1602 0.2026 0.2065 0.0407 -0.0746 -0.0031 102 THR A CB 1421 O OG1 . THR A 102 ? 0.1648 0.2330 0.2448 0.0438 -0.0835 0.0111 102 THR A OG1 1422 C CG2 . THR A 102 ? 0.1778 0.2022 0.2121 0.0597 -0.0682 0.0068 102 THR A CG2 1430 N N . GLY A 103 ? 0.1328 0.1667 0.1585 0.0184 -0.0739 -0.0155 103 GLY A N 1431 C CA . GLY A 103 ? 0.1528 0.1653 0.1536 0.0270 -0.0694 -0.0100 103 GLY A CA 1432 C C . GLY A 103 ? 0.1311 0.1528 0.1461 0.0335 -0.0669 -0.0132 103 GLY A C 1433 O O . GLY A 103 ? 0.1528 0.1473 0.1871 0.0305 -0.0863 -0.0394 103 GLY A O 1437 N N . GLN A 104 ? 0.1144 0.1318 0.1299 0.0117 -0.0370 -0.0054 104 GLN A N 1438 C CA . GLN A 104 ? 0.0959 0.1246 0.1166 0.0048 -0.0440 0.0125 104 GLN A CA 1439 C C . GLN A 104 ? 0.1092 0.1260 0.1105 0.0126 -0.0330 0.0146 104 GLN A C 1440 O O . GLN A 104 ? 0.1246 0.1269 0.1155 0.0077 -0.0238 0.0141 104 GLN A O 1441 C CB . GLN A 104 ? 0.1090 0.1427 0.1136 -0.0045 -0.0597 0.0059 104 GLN A CB 1442 C CG . GLN A 104 ? 0.1019 0.1372 0.1173 0.0120 -0.0496 0.0001 104 GLN A CG 1443 C CD . GLN A 104 ? 0.1085 0.1403 0.1269 0.0175 -0.0499 0.0094 104 GLN A CD 1444 O OE1 . GLN A 104 ? 0.1267 0.1442 0.1527 0.0163 -0.0237 -0.0030 104 GLN A OE1 1445 N NE2 . GLN A 104 ? 0.1081 0.1279 0.1293 0.0110 -0.0374 0.0132 104 GLN A NE2 1454 N N . ALA A 105 ? 0.0900 0.1231 0.1253 0.0131 -0.0450 -0.0171 105 ALA A N 1455 C CA . ALA A 105 ? 0.0940 0.1183 0.1370 0.0288 -0.0453 -0.0146 105 ALA A CA 1456 C C . ALA A 105 ? 0.1060 0.1145 0.1343 0.0144 -0.0373 -0.0016 105 ALA A C 1457 O O . ALA A 105 ? 0.1164 0.1138 0.1253 0.0019 -0.0458 0.0010 105 ALA A O 1458 C CB . ALA A 105 ? 0.1025 0.1224 0.1568 0.0197 -0.0358 -0.0172 105 ALA A CB 1464 N N . VAL A 106 ? 0.0949 0.1132 0.1418 -0.0006 -0.0372 -0.0064 106 VAL A N 1465 C CA . VAL A 106 ? 0.1004 0.1123 0.1335 0.0056 -0.0208 -0.0024 106 VAL A CA 1466 C C . VAL A 106 ? 0.1007 0.1224 0.1191 0.0052 -0.0288 0.0005 106 VAL A C 1467 O O . VAL A 106 ? 0.0985 0.1389 0.1228 0.0079 -0.0180 0.0027 106 VAL A O 1468 C CB . VAL A 106 ? 0.0899 0.1212 0.1558 0.0106 -0.0317 -0.0047 106 VAL A CB 1469 C CG1 . VAL A 106 ? 0.1152 0.1140 0.1534 -0.0035 -0.0271 -0.0177 106 VAL A CG1 1470 C CG2 . VAL A 106 ? 0.0997 0.1242 0.1793 0.0054 -0.0370 -0.0133 106 VAL A CG2 1480 N N . GLU A 107 ? 0.0969 0.1254 0.1178 0.0117 -0.0359 -0.0140 107 GLU A N 1481 C CA . GLU A 107 ? 0.0978 0.1436 0.0996 0.0192 -0.0334 -0.0178 107 GLU A CA 1482 C C . GLU A 107 ? 0.1015 0.1491 0.1307 -0.0073 -0.0267 -0.0119 107 GLU A C 1483 O O . GLU A 107 ? 0.1415 0.1628 0.1382 -0.0273 -0.0461 -0.0009 107 GLU A O 1484 C CB . GLU A 107 ? 0.0957 0.1325 0.0941 0.0207 -0.0295 -0.0222 107 GLU A CB 1485 C CG . GLU A 107 ? 0.1033 0.1441 0.1292 0.0173 -0.0329 -0.0035 107 GLU A CG 1486 C CD . GLU A 107 ? 0.0940 0.1456 0.1172 0.0064 -0.0395 -0.0155 107 GLU A CD 1487 O OE1 . GLU A 107 ? 0.1010 0.1245 0.1375 0.0079 -0.0348 -0.0133 107 GLU A OE1 1488 O OE2 . GLU A 107 ? 0.1029 0.1570 0.1342 0.0286 -0.0392 -0.0121 107 GLU A OE2 1495 N N . SER A 108 ? 0.1022 0.1469 0.1055 -0.0151 -0.0294 -0.0044 108 SER A N 1496 C CA . SER A 108 ? 0.1007 0.1664 0.1216 -0.0117 -0.0195 -0.0005 108 SER A CA 1497 C C . SER A 108 ? 0.0982 0.1633 0.1175 -0.0083 -0.0249 -0.0150 108 SER A C 1498 O O . SER A 108 ? 0.1320 0.1691 0.1261 -0.0057 -0.0370 -0.0374 108 SER A O 1499 C CB . SER A 108 ? 0.1069 0.1887 0.1499 -0.0086 -0.0118 0.0091 108 SER A CB 1500 O OG . SER A 108 ? 0.1394 0.2072 0.1776 -0.0379 -0.0235 0.0181 108 SER A OG 1506 N N . ALA A 109 ? 0.0907 0.1639 0.1470 0.0021 -0.0173 -0.0201 109 ALA A N 1507 C CA . ALA A 109 ? 0.0844 0.1814 0.1398 0.0103 -0.0216 -0.0093 109 ALA A CA 1508 C C . ALA A 109 ? 0.1046 0.1914 0.1614 0.0088 -0.0082 -0.0190 109 ALA A C 1509 O O . ALA A 109 ? 0.1224 0.1996 0.1889 -0.0005 -0.0056 -0.0235 109 ALA A O 1510 C CB . ALA A 109 ? 0.0889 0.2029 0.1332 0.0090 -0.0316 -0.0141 109 ALA A CB 1516 N N . LYS A 110 ? 0.0961 0.1933 0.1448 0.0150 -0.0059 -0.0310 110 LYS A N 1517 C CA . LYS A 110 ? 0.1297 0.2107 0.1552 0.0093 -0.0006 -0.0377 110 LYS A CA 1518 C C . LYS A 110 ? 0.1259 0.2006 0.1699 0.0140 -0.0119 -0.0450 110 LYS A C 1519 O O . LYS A 110 ? 0.1224 0.2096 0.2126 0.0200 0.0072 -0.0366 110 LYS A O 1520 C CB . LYS A 110 ? 0.1466 0.2294 0.1507 0.0204 -0.0078 -0.0367 110 LYS A CB 1521 C CG . LYS A 110 ? 0.1977 0.2533 0.1675 0.0107 -0.0170 -0.0185 110 LYS A CG 1522 C CD . LYS A 110 ? 0.2502 0.2802 0.1998 0.0009 -0.0212 -0.0165 110 LYS A CD 1529 N N . LYS A 111 ? 0.1283 0.2089 0.1507 0.0209 -0.0414 -0.0348 111 LYS A N 1530 C CA . LYS A 111 ? 0.1472 0.2175 0.1769 0.0490 -0.0381 -0.0313 111 LYS A CA 1531 C C . LYS A 111 ? 0.1289 0.2163 0.1631 0.0271 -0.0410 -0.0358 111 LYS A C 1532 O O . LYS A 111 ? 0.1261 0.2089 0.1632 0.0082 -0.0512 -0.0224 111 LYS A O 1533 C CB . LYS A 111 ? 0.2037 0.2335 0.2178 0.0552 -0.0312 -0.0403 111 LYS A CB 1534 C CG . LYS A 111 ? 0.2656 0.2558 0.2692 0.0482 -0.0115 -0.0542 111 LYS A CG 1535 C CD . LYS A 111 ? 0.3060 0.2758 0.3301 0.0350 0.0021 -0.0571 111 LYS A CD 1536 C CE . LYS A 111 ? 0.3271 0.2906 0.3576 0.0371 0.0163 -0.0672 111 LYS A CE 1547 N N . VAL A 112 ? 0.1226 0.2255 0.1591 0.0310 -0.0385 -0.0421 112 VAL A N 1548 C CA . VAL A 112 ? 0.1097 0.2273 0.1663 0.0224 -0.0359 -0.0317 112 VAL A CA 1549 C C . VAL A 112 ? 0.1175 0.2240 0.1970 0.0386 -0.0318 -0.0313 112 VAL A C 1550 O O . VAL A 112 ? 0.1259 0.2244 0.2107 0.0372 -0.0417 -0.0448 112 VAL A O 1551 C CB . VAL A 112 ? 0.0950 0.2227 0.1721 0.0080 -0.0286 -0.0322 112 VAL A CB 1552 C CG1 . VAL A 112 ? 0.1094 0.2201 0.1512 0.0162 -0.0393 -0.0412 112 VAL A CG1 1553 C CG2 . VAL A 112 ? 0.1192 0.2137 0.1914 0.0002 -0.0366 -0.0491 112 VAL A CG2 1563 N N . SER A 113 ? 0.1138 0.2230 0.2007 0.0356 -0.0448 -0.0284 113 SER A N 1564 C CA . SER A 113 ? 0.1307 0.2197 0.2093 0.0349 -0.0577 -0.0273 113 SER A CA 1565 C C . SER A 113 ? 0.1255 0.2083 0.2118 0.0502 -0.0472 -0.0434 113 SER A C 1566 O O . SER A 113 ? 0.1365 0.2083 0.2083 0.0412 -0.0575 -0.0408 113 SER A O 1567 C CB . SER A 113 ? 0.1516 0.2195 0.2422 0.0401 -0.0516 -0.0154 113 SER A CB 1568 O OG . SER A 113 ? 0.1403 0.2254 0.2433 0.0344 -0.0598 -0.0091 113 SER A OG 1574 N N . SER A 114 ? 0.1366 0.2149 0.2478 0.0687 -0.0706 -0.0477 114 SER A N 1575 C CA . SER A 114 ? 0.1450 0.2231 0.2725 0.0589 -0.0877 -0.0343 114 SER A CA 1576 C C . SER A 114 ? 0.1492 0.2149 0.2563 0.0535 -0.0818 -0.0284 114 SER A C 1577 O O . SER A 114 ? 0.1369 0.1999 0.2452 0.0354 -0.0870 -0.0356 114 SER A O 1578 C CB . SER A 114 ? 0.1690 0.2389 0.3291 0.0646 -0.0868 -0.0164 114 SER A CB 1579 O OG . SER A 114 ? 0.1983 0.2560 0.3764 0.0599 -0.0711 -0.0104 114 SER A OG 1585 N N . SER A 115 ? 0.1605 0.2130 0.2378 0.0662 -0.0860 -0.0138 115 SER A N 1586 C CA A SER A 115 ? 0.1743 0.2208 0.2398 0.0602 -0.0727 -0.0105 115 SER A CA 1587 C CA B SER A 115 ? 0.1758 0.2172 0.2409 0.0643 -0.0776 -0.0107 115 SER A CA 1588 C C . SER A 115 ? 0.1608 0.2095 0.2261 0.0515 -0.0767 -0.0134 115 SER A C 1589 O O . SER A 115 ? 0.1877 0.2124 0.2047 0.0469 -0.0771 -0.0279 115 SER A O 1590 C CB A SER A 115 ? 0.2013 0.2384 0.2651 0.0508 -0.0460 -0.0039 115 SER A CB 1591 C CB B SER A 115 ? 0.2081 0.2281 0.2679 0.0657 -0.0563 -0.0040 115 SER A CB 1592 O OG A SER A 115 ? 0.2142 0.2539 0.2954 0.0356 -0.0304 -0.0019 115 SER A OG 1593 O OG B SER A 115 ? 0.2295 0.2359 0.2990 0.0644 -0.0377 -0.0025 115 SER A OG 1604 N N . PHE A 116 ? 0.1220 0.1911 0.2179 0.0456 -0.0770 -0.0055 116 PHE A N 1605 C CA . PHE A 116 ? 0.1155 0.1886 0.2017 0.0433 -0.0559 -0.0108 116 PHE A CA 1606 C C . PHE A 116 ? 0.1046 0.1825 0.1859 0.0408 -0.0555 -0.0139 116 PHE A C 1607 O O . PHE A 116 ? 0.1277 0.1774 0.1961 0.0196 -0.0360 -0.0153 116 PHE A O 1608 C CB . PHE A 116 ? 0.1193 0.1994 0.1891 0.0406 -0.0436 0.0030 116 PHE A CB 1609 C CG . PHE A 116 ? 0.1036 0.2085 0.1799 0.0313 -0.0454 0.0033 116 PHE A CG 1610 C CD1 . PHE A 116 ? 0.1085 0.2158 0.1760 0.0231 -0.0585 0.0054 116 PHE A CD1 1611 C CD2 . PHE A 116 ? 0.1022 0.2120 0.1927 0.0172 -0.0312 -0.0014 116 PHE A CD2 1612 C CE1 . PHE A 116 ? 0.1080 0.2242 0.1925 0.0219 -0.0627 0.0036 116 PHE A CE1 1613 C CE2 . PHE A 116 ? 0.1242 0.2051 0.2110 0.0171 -0.0235 -0.0001 116 PHE A CE2 1614 C CZ . PHE A 116 ? 0.1153 0.2123 0.2054 0.0177 -0.0383 0.0108 116 PHE A CZ 1624 N N . THR A 117 ? 0.1071 0.1854 0.1943 0.0337 -0.0434 -0.0133 117 THR A N 1625 C CA . THR A 117 ? 0.1067 0.2058 0.2022 0.0418 -0.0472 -0.0159 117 THR A CA 1626 C C . THR A 117 ? 0.1205 0.1953 0.2055 0.0406 -0.0654 -0.0293 117 THR A C 1627 O O . THR A 117 ? 0.1330 0.1911 0.2216 0.0176 -0.0612 -0.0414 117 THR A O 1628 C CB . THR A 117 ? 0.1143 0.2194 0.2064 0.0325 -0.0314 -0.0244 117 THR A CB 1629 O OG1 . THR A 117 ? 0.1238 0.2240 0.2041 0.0235 -0.0454 -0.0268 117 THR A OG1 1630 C CG2 . THR A 117 ? 0.1301 0.2329 0.2090 0.0191 -0.0317 -0.0292 117 THR A CG2 1638 N N . GLU A 118 ? 0.1468 0.2016 0.1986 0.0416 -0.0933 -0.0325 118 GLU A N 1639 C CA . GLU A 118 ? 0.1753 0.2244 0.2288 0.0258 -0.0994 -0.0461 118 GLU A CA 1640 C C . GLU A 118 ? 0.1716 0.2226 0.2123 0.0124 -0.1071 -0.0457 118 GLU A C 1641 O O . GLU A 118 ? 0.2020 0.2566 0.2463 -0.0060 -0.1093 -0.0666 118 GLU A O 1642 C CB . GLU A 118 ? 0.1961 0.2454 0.2668 0.0443 -0.1176 -0.0384 118 GLU A CB 1643 C CG . GLU A 118 ? 0.2257 0.2677 0.3144 0.0605 -0.1086 -0.0331 118 GLU A CG 1644 C CD . GLU A 118 ? 0.2650 0.2960 0.3599 0.0737 -0.0858 -0.0201 118 GLU A CD 1645 O OE1 . GLU A 118 ? 0.2626 0.2980 0.3903 0.0859 -0.0842 -0.0301 118 GLU A OE1 1646 O OE2 . GLU A 118 ? 0.2962 0.3136 0.3660 0.0741 -0.0961 -0.0014 118 GLU A OE2 1653 N N . ASP A 119 ? 0.1733 0.2076 0.2057 0.0285 -0.0648 -0.0292 119 ASP A N 1654 C CA . ASP A 119 ? 0.1602 0.2030 0.1910 0.0243 -0.0609 -0.0133 119 ASP A CA 1655 C C . ASP A 119 ? 0.1275 0.1864 0.1999 0.0195 -0.0529 -0.0208 119 ASP A C 1656 O O . ASP A 119 ? 0.1315 0.1784 0.2059 -0.0064 -0.0582 -0.0138 119 ASP A O 1657 C CB . ASP A 119 ? 0.1835 0.2109 0.1939 0.0194 -0.0486 0.0073 119 ASP A CB 1658 C CG . ASP A 119 ? 0.1992 0.2242 0.2581 0.0161 0.0015 0.0125 119 ASP A CG 1659 O OD1 . ASP A 119 ? 0.1848 0.2259 0.2470 0.0076 -0.0081 0.0271 119 ASP A OD1 1660 O OD2 . ASP A 119 ? 0.2328 0.2488 0.3137 0.0037 0.0527 -0.0066 119 ASP A OD2 1665 N N . SER A 120 ? 0.1146 0.1864 0.2025 -0.0063 -0.0432 -0.0128 120 SER A N 1666 C CA . SER A 120 ? 0.0990 0.1860 0.1990 -0.0168 -0.0409 -0.0096 120 SER A CA 1667 C C . SER A 120 ? 0.0840 0.1652 0.1769 -0.0124 -0.0446 -0.0050 120 SER A C 1668 O O . SER A 120 ? 0.1033 0.1607 0.2167 0.0003 -0.0238 0.0117 120 SER A O 1669 C CB . SER A 120 ? 0.1462 0.2253 0.2497 -0.0388 -0.0256 -0.0235 120 SER A CB 1670 O OG . SER A 120 ? 0.1854 0.2494 0.2951 -0.0747 -0.0376 -0.0218 120 SER A OG 1676 N N . THR A 121 ? 0.0929 0.1584 0.1641 -0.0147 -0.0353 -0.0074 121 THR A N 1677 C CA . THR A 121 ? 0.1075 0.1672 0.1642 -0.0141 -0.0462 -0.0228 121 THR A CA 1678 C C . THR A 121 ? 0.0735 0.1389 0.1461 -0.0153 -0.0442 -0.0162 121 THR A C 1679 O O . THR A 121 ? 0.0960 0.1340 0.1718 -0.0004 -0.0164 -0.0255 121 THR A O 1680 C CB . THR A 121 ? 0.1561 0.2172 0.1665 -0.0382 -0.0638 -0.0260 121 THR A CB 1681 O OG1 . THR A 121 ? 0.2004 0.2514 0.1570 -0.0220 -0.0330 -0.0025 121 THR A OG1 1682 C CG2 . THR A 121 ? 0.1785 0.2519 0.1699 -0.0490 -0.0650 -0.0297 121 THR A CG2 1690 N N . ILE A 122 ? 0.0738 0.1310 0.1448 -0.0125 -0.0379 -0.0026 122 ILE A N 1691 C CA . ILE A 122 ? 0.0765 0.1304 0.1360 0.0009 -0.0212 0.0039 122 ILE A CA 1692 C C . ILE A 122 ? 0.0731 0.1265 0.1342 0.0066 -0.0239 -0.0134 122 ILE A C 1693 O O . ILE A 122 ? 0.0822 0.1344 0.1324 0.0101 -0.0077 -0.0109 122 ILE A O 1694 C CB . ILE A 122 ? 0.0798 0.1378 0.1419 -0.0068 -0.0401 0.0127 122 ILE A CB 1695 C CG1 . ILE A 122 ? 0.1128 0.1425 0.1470 -0.0133 -0.0386 0.0172 122 ILE A CG1 1696 C CG2 . ILE A 122 ? 0.0682 0.1486 0.1548 -0.0089 -0.0460 0.0078 122 ILE A CG2 1697 C CD1 . ILE A 122 ? 0.1446 0.1522 0.1620 -0.0245 -0.0350 0.0280 122 ILE A CD1 1709 N N . ASP A 123 ? 0.0667 0.1246 0.1274 -0.0028 -0.0340 -0.0158 123 ASP A N 1710 C CA . ASP A 123 ? 0.0858 0.1124 0.1211 -0.0043 -0.0319 -0.0131 123 ASP A CA 1711 C C . ASP A 123 ? 0.0819 0.1198 0.1251 0.0027 -0.0377 0.0095 123 ASP A C 1712 O O . ASP A 123 ? 0.0908 0.1325 0.1272 0.0068 -0.0272 0.0083 123 ASP A O 1713 C CB . ASP A 123 ? 0.0890 0.1121 0.1291 -0.0153 -0.0300 -0.0125 123 ASP A CB 1714 C CG . ASP A 123 ? 0.0920 0.1230 0.1469 -0.0107 -0.0194 -0.0082 123 ASP A CG 1715 O OD1 . ASP A 123 ? 0.0905 0.1288 0.1679 -0.0102 -0.0247 -0.0250 123 ASP A OD1 1716 O OD2 . ASP A 123 ? 0.0945 0.1222 0.1388 -0.0174 -0.0323 -0.0098 123 ASP A OD2 1721 N N . GLY A 124 ? 0.0826 0.1139 0.1118 -0.0186 -0.0242 -0.0008 124 GLY A N 1722 C CA . GLY A 124 ? 0.0882 0.1101 0.1247 -0.0057 -0.0268 0.0003 124 GLY A CA 1723 C C . GLY A 124 ? 0.0816 0.1098 0.1329 0.0014 -0.0373 -0.0071 124 GLY A C 1724 O O . GLY A 124 ? 0.0766 0.1118 0.1221 -0.0090 -0.0281 -0.0038 124 GLY A O 1728 N N . LEU A 125 ? 0.0630 0.1115 0.1335 -0.0101 -0.0217 -0.0146 125 LEU A N 1729 C CA . LEU A 125 ? 0.0738 0.1018 0.1248 -0.0186 -0.0173 -0.0157 125 LEU A CA 1730 C C . LEU A 125 ? 0.1047 0.0992 0.1077 -0.0050 -0.0192 -0.0235 125 LEU A C 1731 O O . LEU A 125 ? 0.1067 0.1301 0.1003 -0.0124 -0.0168 -0.0194 125 LEU A O 1732 C CB . LEU A 125 ? 0.0836 0.1270 0.1747 -0.0186 -0.0289 -0.0115 125 LEU A CB 1733 C CG . LEU A 125 ? 0.0999 0.1541 0.2186 0.0232 -0.0693 0.0012 125 LEU A CG 1734 C CD1 . LEU A 125 ? 0.1039 0.1490 0.2135 0.0219 -0.0636 -0.0031 125 LEU A CD1 1735 C CD2 . LEU A 125 ? 0.1668 0.1776 0.2477 0.0211 -0.0372 0.0148 125 LEU A CD2 1747 N N . LEU A 126 ? 0.0952 0.1011 0.1151 -0.0079 -0.0463 -0.0203 126 LEU A N 1748 C CA . LEU A 126 ? 0.0719 0.1019 0.1155 -0.0035 -0.0377 -0.0092 126 LEU A CA 1749 C C . LEU A 126 ? 0.0779 0.1017 0.0934 0.0035 -0.0507 -0.0010 126 LEU A C 1750 O O . LEU A 126 ? 0.0865 0.1019 0.1026 -0.0026 -0.0369 -0.0117 126 LEU A O 1751 C CB . LEU A 126 ? 0.1005 0.0942 0.1278 -0.0028 -0.0287 -0.0003 126 LEU A CB 1752 C CG . LEU A 126 ? 0.0957 0.0985 0.1281 0.0010 -0.0518 0.0098 126 LEU A CG 1753 C CD1 . LEU A 126 ? 0.1114 0.1044 0.1357 0.0133 -0.0400 0.0071 126 LEU A CD1 1754 C CD2 . LEU A 126 ? 0.1031 0.1200 0.1329 0.0109 -0.0322 0.0116 126 LEU A CD2 1766 N N . GLY A 127 ? 0.0804 0.1117 0.1076 0.0026 -0.0457 -0.0071 127 GLY A N 1767 C CA . GLY A 127 ? 0.0880 0.1093 0.0986 0.0041 -0.0337 0.0006 127 GLY A CA 1768 C C . GLY A 127 ? 0.0780 0.1073 0.1118 -0.0008 -0.0476 0.0128 127 GLY A C 1769 O O . GLY A 127 ? 0.0938 0.1222 0.1263 -0.0095 -0.0376 0.0097 127 GLY A O 1773 N N . LEU A 128 ? 0.0720 0.0983 0.1203 0.0001 -0.0326 0.0202 128 LEU A N 1774 C CA . LEU A 128 ? 0.0824 0.0896 0.1249 0.0010 -0.0388 0.0118 128 LEU A CA 1775 C C . LEU A 128 ? 0.0902 0.0935 0.1230 -0.0063 -0.0424 0.0031 128 LEU A C 1776 O O . LEU A 128 ? 0.0935 0.1125 0.1364 -0.0087 -0.0303 0.0153 128 LEU A O 1777 C CB . LEU A 128 ? 0.0724 0.1026 0.1203 0.0071 -0.0333 -0.0041 128 LEU A CB 1778 C CG . LEU A 128 ? 0.0835 0.1081 0.1361 0.0101 -0.0390 0.0001 128 LEU A CG 1779 C CD1 . LEU A 128 ? 0.1085 0.1291 0.1493 -0.0123 -0.0142 -0.0053 128 LEU A CD1 1780 C CD2 . LEU A 128 ? 0.0968 0.1139 0.1924 0.0079 -0.0343 0.0162 128 LEU A CD2 1792 N N . ALA A 129 ? 0.0949 0.0864 0.1165 -0.0066 -0.0364 -0.0063 129 ALA A N 1793 C CA . ALA A 129 ? 0.0936 0.0962 0.1202 -0.0041 -0.0391 -0.0003 129 ALA A CA 1794 C C . ALA A 129 ? 0.0886 0.0958 0.1387 -0.0028 -0.0430 0.0065 129 ALA A C 1795 O O . ALA A 129 ? 0.1194 0.1088 0.1405 -0.0080 -0.0492 0.0010 129 ALA A O 1796 C CB . ALA A 129 ? 0.0982 0.1021 0.1080 -0.0229 -0.0369 -0.0025 129 ALA A CB 1802 N N . PHE A 130 ? 0.1117 0.0947 0.1393 -0.0187 -0.0378 0.0053 130 PHE A N 1803 C CA . PHE A 130 ? 0.0918 0.1090 0.1389 -0.0127 -0.0496 -0.0108 130 PHE A CA 1804 C C . PHE A 130 ? 0.0902 0.1291 0.1402 -0.0012 -0.0505 -0.0083 130 PHE A C 1805 O O . PHE A 130 ? 0.0904 0.1291 0.1312 -0.0128 -0.0503 -0.0216 130 PHE A O 1806 C CB . PHE A 130 ? 0.1069 0.1298 0.1499 -0.0228 -0.0524 -0.0150 130 PHE A CB 1807 C CG . PHE A 130 ? 0.1116 0.1507 0.1477 -0.0318 -0.0410 0.0035 130 PHE A CG 1808 C CD1 . PHE A 130 ? 0.1373 0.1860 0.1537 -0.0118 -0.0283 0.0197 130 PHE A CD1 1809 C CD2 . PHE A 130 ? 0.1327 0.1513 0.1421 -0.0091 -0.0313 0.0059 130 PHE A CD2 1810 C CE1 . PHE A 130 ? 0.1379 0.1825 0.1722 -0.0024 0.0039 0.0423 130 PHE A CE1 1811 C CE2 . PHE A 130 ? 0.1266 0.1652 0.1500 -0.0123 -0.0268 0.0097 130 PHE A CE2 1812 C CZ . PHE A 130 ? 0.1414 0.1803 0.1650 -0.0103 0.0003 0.0157 130 PHE A CZ 1822 N N . SER A 131 ? 0.0969 0.1424 0.1461 0.0074 -0.0514 -0.0161 131 SER A N 1823 C CA . SER A 131 ? 0.1187 0.1427 0.1384 -0.0031 -0.0566 -0.0119 131 SER A CA 1824 C C . SER A 131 ? 0.1225 0.1420 0.1436 -0.0129 -0.0541 -0.0171 131 SER A C 1825 O O . SER A 131 ? 0.1208 0.1594 0.1522 -0.0049 -0.0513 -0.0222 131 SER A O 1826 C CB . SER A 131 ? 0.1397 0.1347 0.1571 0.0032 -0.0548 -0.0065 131 SER A CB 1827 O OG . SER A 131 ? 0.1332 0.1372 0.1636 -0.0014 -0.0512 -0.0062 131 SER A OG 1833 N N . THR A 132 ? 0.1478 0.1340 0.1470 -0.0158 -0.0482 -0.0296 132 THR A N 1834 C CA . THR A 132 ? 0.1600 0.1393 0.1515 -0.0168 -0.0541 -0.0261 132 THR A CA 1835 C C . THR A 132 ? 0.1707 0.1228 0.1419 -0.0119 -0.0539 -0.0184 132 THR A C 1836 O O . THR A 132 ? 0.1903 0.1252 0.1599 -0.0109 -0.0374 -0.0330 132 THR A O 1837 C CB . THR A 132 ? 0.1638 0.1707 0.1653 -0.0332 -0.0682 -0.0190 132 THR A CB 1838 O OG1 . THR A 132 ? 0.1852 0.1823 0.1780 -0.0338 -0.0494 -0.0068 132 THR A OG1 1839 C CG2 . THR A 132 ? 0.1836 0.1811 0.1989 -0.0496 -0.0442 -0.0310 132 THR A CG2 1847 N N . LEU A 133 ? 0.1532 0.1163 0.1531 -0.0141 -0.0794 0.0011 133 LEU A N 1848 C CA . LEU A 133 ? 0.1529 0.1217 0.1398 -0.0025 -0.0585 -0.0127 133 LEU A CA 1849 C C . LEU A 133 ? 0.1365 0.1088 0.1384 0.0042 -0.0614 -0.0178 133 LEU A C 1850 O O . LEU A 133 ? 0.1485 0.1404 0.1650 0.0127 -0.0289 -0.0087 133 LEU A O 1851 C CB . LEU A 133 ? 0.1709 0.1334 0.1332 0.0061 -0.0679 -0.0027 133 LEU A CB 1852 C CG . LEU A 133 ? 0.2045 0.1709 0.1527 0.0340 -0.0272 0.0055 133 LEU A CG 1853 C CD1 . LEU A 133 ? 0.1877 0.1922 0.1401 0.0479 -0.0550 0.0034 133 LEU A CD1 1854 C CD2 . LEU A 133 ? 0.2596 0.1808 0.1828 0.0438 0.0159 0.0205 133 LEU A CD2 1866 N N . ASN A 134 ? 0.1373 0.1105 0.1169 -0.0017 -0.0421 -0.0062 134 ASN A N 1867 C CA . ASN A 134 ? 0.1061 0.1172 0.1288 -0.0013 -0.0427 -0.0126 134 ASN A CA 1868 C C . ASN A 134 ? 0.1054 0.1207 0.1295 -0.0073 -0.0392 -0.0164 134 ASN A C 1869 O O . ASN A 134 ? 0.1327 0.1240 0.1395 -0.0082 -0.0313 -0.0187 134 ASN A O 1870 C CB . ASN A 134 ? 0.1141 0.1181 0.1377 0.0020 -0.0446 -0.0179 134 ASN A CB 1871 C CG . ASN A 134 ? 0.1115 0.1163 0.1263 0.0040 -0.0426 -0.0175 134 ASN A CG 1872 O OD1 . ASN A 134 ? 0.1125 0.1306 0.1163 0.0026 -0.0324 -0.0177 134 ASN A OD1 1873 N ND2 . ASN A 134 ? 0.1318 0.1132 0.1242 0.0020 -0.0474 -0.0073 134 ASN A ND2 1880 N N . THR A 135 ? 0.1119 0.1157 0.1309 0.0083 -0.0392 -0.0197 135 THR A N 1881 C CA . THR A 135 ? 0.1321 0.1259 0.1361 0.0212 -0.0334 -0.0129 135 THR A CA 1882 C C . THR A 135 ? 0.1261 0.1517 0.1281 0.0230 -0.0387 -0.0188 135 THR A C 1883 O O . THR A 135 ? 0.1611 0.1796 0.1357 0.0465 -0.0180 -0.0282 135 THR A O 1884 C CB . THR A 135 ? 0.1360 0.1262 0.1514 0.0121 -0.0373 -0.0187 135 THR A CB 1885 O OG1 . THR A 135 ? 0.1321 0.1391 0.1587 0.0101 -0.0319 -0.0274 135 THR A OG1 1886 C CG2 . THR A 135 ? 0.1396 0.1272 0.1469 0.0244 -0.0500 -0.0022 135 THR A CG2 1894 N N . VAL A 136 ? 0.1032 0.1536 0.1264 -0.0065 -0.0493 -0.0230 136 VAL A N 1895 C CA . VAL A 136 ? 0.1128 0.1539 0.1178 -0.0041 -0.0512 -0.0141 136 VAL A CA 1896 C C . VAL A 136 ? 0.1262 0.1592 0.1223 -0.0054 -0.0320 -0.0050 136 VAL A C 1897 O O . VAL A 136 ? 0.1225 0.1660 0.1461 -0.0073 -0.0437 -0.0082 136 VAL A O 1898 C CB . VAL A 136 ? 0.1289 0.1459 0.1100 0.0058 -0.0475 -0.0225 136 VAL A CB 1899 C CG1 . VAL A 136 ? 0.1190 0.1455 0.1239 0.0081 -0.0350 -0.0143 136 VAL A CG1 1900 C CG2 . VAL A 136 ? 0.1229 0.1388 0.1159 0.0006 -0.0412 -0.0167 136 VAL A CG2 1910 N N . SER A 137 ? 0.1492 0.1635 0.1188 0.0002 -0.0417 -0.0279 137 SER A N 1911 C CA . SER A 137 ? 0.1584 0.1676 0.1384 0.0138 -0.0480 -0.0375 137 SER A CA 1912 C C . SER A 137 ? 0.1324 0.1649 0.1442 0.0183 -0.0419 -0.0320 137 SER A C 1913 O O . SER A 137 ? 0.1405 0.1787 0.1460 0.0094 -0.0378 -0.0400 137 SER A O 1914 C CB . SER A 137 ? 0.2084 0.1811 0.1752 0.0255 -0.0447 -0.0446 137 SER A CB 1915 O OG . SER A 137 ? 0.2346 0.2004 0.1921 0.0414 -0.0525 -0.0505 137 SER A OG 1921 N N . PRO A 138 ? 0.1425 0.1684 0.1349 0.0156 -0.0391 -0.0292 138 PRO A N 1922 C CA . PRO A 138 ? 0.1547 0.1657 0.1458 0.0065 -0.0518 -0.0446 138 PRO A CA 1923 C C . PRO A 138 ? 0.1548 0.1549 0.1550 -0.0093 -0.0483 -0.0477 138 PRO A C 1924 O O . PRO A 138 ? 0.1711 0.1579 0.2151 -0.0078 -0.0255 -0.0561 138 PRO A O 1925 C CB . PRO A 138 ? 0.1574 0.1802 0.1493 0.0251 -0.0432 -0.0537 138 PRO A CB 1926 C CG . PRO A 138 ? 0.1562 0.1934 0.1300 0.0154 -0.0442 -0.0408 138 PRO A CG 1927 C CD . PRO A 138 ? 0.1511 0.1852 0.1359 0.0143 -0.0439 -0.0321 138 PRO A CD 1935 N N . THR A 139 ? 0.1260 0.1471 0.1434 0.0014 -0.0586 -0.0354 139 THR A N 1936 C CA . THR A 139 ? 0.1213 0.1428 0.1465 -0.0158 -0.0471 -0.0276 139 THR A CA 1937 C C . THR A 139 ? 0.1355 0.1445 0.1395 -0.0130 -0.0554 -0.0269 139 THR A C 1938 O O . THR A 139 ? 0.1298 0.1370 0.1551 -0.0135 -0.0592 -0.0267 139 THR A O 1939 C CB . THR A 139 ? 0.1207 0.1491 0.1401 -0.0023 -0.0558 -0.0267 139 THR A CB 1940 O OG1 . THR A 139 ? 0.1352 0.1587 0.1157 0.0010 -0.0561 -0.0248 139 THR A OG1 1941 C CG2 . THR A 139 ? 0.1413 0.1512 0.1589 0.0111 -0.0558 -0.0229 139 THR A CG2 1949 N N . GLN A 140 ? 0.1468 0.1338 0.1397 -0.0247 -0.0405 -0.0404 140 GLN A N 1950 C CA . GLN A 140 ? 0.1276 0.1397 0.1444 0.0062 -0.0409 -0.0218 140 GLN A CA 1951 C C . GLN A 140 ? 0.1345 0.1391 0.1388 0.0036 -0.0470 -0.0184 140 GLN A C 1952 O O . GLN A 140 ? 0.1446 0.1495 0.1373 0.0027 -0.0515 -0.0217 140 GLN A O 1953 C CB . GLN A 140 ? 0.1627 0.1450 0.1610 0.0109 -0.0359 -0.0224 140 GLN A CB 1954 C CG . GLN A 140 ? 0.1803 0.1604 0.2080 -0.0100 -0.0366 -0.0185 140 GLN A CG 1955 C CD . GLN A 140 ? 0.1833 0.1800 0.2205 -0.0359 -0.0644 -0.0104 140 GLN A CD 1956 O OE1 . GLN A 140 ? 0.1963 0.2196 0.2510 -0.0534 -0.0644 0.0239 140 GLN A OE1 1957 N NE2 . GLN A 140 ? 0.1791 0.1593 0.2168 -0.0122 -0.0660 -0.0017 140 GLN A NE2 1966 N N . GLN A 141 ? 0.1199 0.1333 0.1291 0.0121 -0.0494 -0.0240 141 GLN A N 1967 C CA . GLN A 141 ? 0.1236 0.1392 0.1260 0.0071 -0.0360 -0.0146 141 GLN A CA 1968 C C . GLN A 141 ? 0.1246 0.1450 0.1342 0.0063 -0.0299 -0.0089 141 GLN A C 1969 O O . GLN A 141 ? 0.1388 0.1475 0.1457 0.0250 -0.0276 -0.0127 141 GLN A O 1970 C CB . GLN A 141 ? 0.1249 0.1425 0.1272 0.0014 -0.0315 -0.0207 141 GLN A CB 1971 C CG . GLN A 141 ? 0.1403 0.1477 0.1351 -0.0016 -0.0332 -0.0206 141 GLN A CG 1972 C CD . GLN A 141 ? 0.1403 0.1413 0.1352 0.0052 -0.0318 -0.0195 141 GLN A CD 1973 O OE1 . GLN A 141 ? 0.1506 0.1474 0.1595 0.0205 -0.0380 -0.0179 141 GLN A OE1 1974 N NE2 . GLN A 141 ? 0.1547 0.1448 0.1244 0.0042 -0.0421 -0.0219 141 GLN A NE2 1983 N N . LYS A 142 ? 0.1247 0.1490 0.1355 0.0061 -0.0425 -0.0008 142 LYS A N 1984 C CA . LYS A 142 ? 0.1222 0.1585 0.1451 -0.0093 -0.0175 -0.0042 142 LYS A CA 1985 C C . LYS A 142 ? 0.1118 0.1422 0.1368 -0.0003 -0.0192 0.0101 142 LYS A C 1986 O O . LYS A 142 ? 0.1058 0.1425 0.1448 -0.0019 -0.0142 0.0025 142 LYS A O 1987 C CB . LYS A 142 ? 0.1170 0.1910 0.1509 -0.0188 -0.0389 -0.0236 142 LYS A CB 1988 C CG . LYS A 142 ? 0.1268 0.2392 0.1803 -0.0186 -0.0494 -0.0227 142 LYS A CG 1989 C CD . LYS A 142 ? 0.1702 0.2697 0.2414 -0.0200 -0.0348 -0.0050 142 LYS A CD 1990 C CE . LYS A 142 ? 0.2180 0.2976 0.2781 -0.0142 -0.0125 0.0049 142 LYS A CE 1999 N N . THR A 143 ? 0.0952 0.1317 0.1380 -0.0027 -0.0253 0.0087 143 THR A N 2000 C CA . THR A 143 ? 0.0848 0.1219 0.1270 0.0071 -0.0300 0.0149 143 THR A CA 2001 C C . THR A 143 ? 0.0880 0.1190 0.1313 0.0019 -0.0439 0.0039 143 THR A C 2002 O O . THR A 143 ? 0.1033 0.1282 0.1220 -0.0047 -0.0367 0.0053 143 THR A O 2003 C CB . THR A 143 ? 0.0955 0.1311 0.1340 0.0156 -0.0286 0.0079 143 THR A CB 2004 O OG1 . THR A 143 ? 0.1275 0.1444 0.1513 0.0229 -0.0117 0.0280 143 THR A OG1 2005 C CG2 . THR A 143 ? 0.1036 0.1405 0.1338 0.0232 -0.0296 0.0004 143 THR A CG2 2013 N N . PHE A 144 ? 0.0903 0.1106 0.1394 -0.0004 -0.0487 -0.0146 144 PHE A N 2014 C CA . PHE A 144 ? 0.0900 0.1167 0.1522 0.0056 -0.0371 -0.0056 144 PHE A CA 2015 C C . PHE A 144 ? 0.0892 0.1151 0.1453 0.0011 -0.0412 0.0068 144 PHE A C 2016 O O . PHE A 144 ? 0.0903 0.1230 0.1514 0.0071 -0.0457 0.0116 144 PHE A O 2017 C CB . PHE A 144 ? 0.0948 0.1210 0.1289 0.0067 -0.0419 -0.0074 144 PHE A CB 2018 C CG . PHE A 144 ? 0.0776 0.1173 0.1369 0.0036 -0.0457 -0.0119 144 PHE A CG 2019 C CD1 . PHE A 144 ? 0.0919 0.1153 0.1429 -0.0119 -0.0341 0.0006 144 PHE A CD1 2020 C CD2 . PHE A 144 ? 0.1165 0.1277 0.1398 0.0050 -0.0260 -0.0221 144 PHE A CD2 2021 C CE1 . PHE A 144 ? 0.1114 0.1297 0.1315 -0.0030 -0.0333 -0.0072 144 PHE A CE1 2022 C CE2 . PHE A 144 ? 0.1048 0.1240 0.1212 -0.0019 -0.0236 -0.0100 144 PHE A CE2 2023 C CZ . PHE A 144 ? 0.1036 0.1260 0.1346 0.0041 -0.0368 -0.0119 144 PHE A CZ 2033 N N . PHE A 145 ? 0.0777 0.1230 0.1416 0.0041 -0.0244 0.0071 145 PHE A N 2034 C CA . PHE A 145 ? 0.0823 0.1326 0.1304 -0.0031 -0.0347 -0.0058 145 PHE A CA 2035 C C . PHE A 145 ? 0.0850 0.1406 0.1453 -0.0026 -0.0164 0.0000 145 PHE A C 2036 O O . PHE A 145 ? 0.0747 0.1534 0.1565 -0.0103 -0.0258 0.0000 145 PHE A O 2037 C CB . PHE A 145 ? 0.1130 0.1451 0.1298 0.0085 -0.0305 -0.0018 145 PHE A CB 2038 C CG . PHE A 145 ? 0.1128 0.1661 0.1492 -0.0040 -0.0311 -0.0023 145 PHE A CG 2039 C CD1 . PHE A 145 ? 0.1037 0.1806 0.1320 0.0089 -0.0247 0.0295 145 PHE A CD1 2040 C CD2 . PHE A 145 ? 0.1325 0.1746 0.1670 -0.0280 0.0059 -0.0072 145 PHE A CD2 2041 C CE1 . PHE A 145 ? 0.1046 0.1899 0.1295 0.0137 -0.0504 0.0115 145 PHE A CE1 2042 C CE2 . PHE A 145 ? 0.1557 0.2002 0.1916 -0.0267 0.0128 -0.0058 145 PHE A CE2 2043 C CZ . PHE A 145 ? 0.1227 0.2064 0.1683 -0.0058 -0.0207 0.0002 145 PHE A CZ 2053 N N . ASP A 146 ? 0.0896 0.1534 0.1687 -0.0099 -0.0327 -0.0090 146 ASP A N 2054 C CA A ASP A 146 ? 0.1037 0.1676 0.1974 -0.0164 -0.0302 -0.0224 146 ASP A CA 2055 C CA B ASP A 146 ? 0.1059 0.1652 0.1915 -0.0121 -0.0224 -0.0189 146 ASP A CA 2056 C C . ASP A 146 ? 0.1070 0.1755 0.1996 -0.0149 -0.0267 -0.0251 146 ASP A C 2057 O O . ASP A 146 ? 0.1090 0.1860 0.2394 -0.0200 -0.0469 -0.0132 146 ASP A O 2058 C CB A ASP A 146 ? 0.1132 0.1776 0.2236 -0.0076 -0.0291 -0.0291 146 ASP A CB 2059 C CB B ASP A 146 ? 0.1250 0.1733 0.2080 0.0044 0.0007 -0.0208 146 ASP A CB 2060 C CG A ASP A 146 ? 0.0980 0.1858 0.2491 -0.0036 -0.0339 -0.0387 146 ASP A CG 2061 C CG B ASP A 146 ? 0.1488 0.1836 0.2296 0.0064 0.0091 -0.0292 146 ASP A CG 2062 O OD1 A ASP A 146 ? 0.1054 0.2056 0.2727 -0.0168 -0.0310 -0.0578 146 ASP A OD1 2063 O OD1 B ASP A 146 ? 0.1656 0.1914 0.2624 0.0197 0.0316 -0.0219 146 ASP A OD1 2064 O OD2 A ASP A 146 ? 0.0958 0.1722 0.2313 -0.0094 -0.0567 -0.0497 146 ASP A OD2 2065 O OD2 B ASP A 146 ? 0.1710 0.1875 0.2373 0.0138 0.0001 -0.0228 146 ASP A OD2 2074 N N . ASN A 147 ? 0.0878 0.1783 0.1565 0.0004 -0.0547 -0.0281 147 ASN A N 2075 C CA . ASN A 147 ? 0.0900 0.1881 0.1581 0.0088 -0.0534 -0.0317 147 ASN A CA 2076 C C . ASN A 147 ? 0.0997 0.2022 0.1694 0.0166 -0.0461 -0.0204 147 ASN A C 2077 O O . ASN A 147 ? 0.1245 0.2222 0.1912 0.0517 -0.0736 -0.0225 147 ASN A O 2078 C CB . ASN A 147 ? 0.1208 0.1830 0.1502 0.0049 -0.0394 -0.0216 147 ASN A CB 2079 C CG . ASN A 147 ? 0.1268 0.1765 0.1594 0.0067 -0.0637 -0.0264 147 ASN A CG 2080 O OD1 . ASN A 147 ? 0.1511 0.1970 0.1832 0.0125 -0.0571 -0.0467 147 ASN A OD1 2081 N ND2 . ASN A 147 ? 0.1272 0.1716 0.1631 0.0080 -0.0356 0.0070 147 ASN A ND2 2088 N N . ALA A 148 ? 0.0875 0.1816 0.1464 0.0186 -0.0431 -0.0115 148 ALA A N 2089 C CA . ALA A 148 ? 0.0990 0.1843 0.1548 0.0177 -0.0198 -0.0097 148 ALA A CA 2090 C C . ALA A 148 ? 0.0920 0.1889 0.1587 0.0289 -0.0319 -0.0056 148 ALA A C 2091 O O . ALA A 148 ? 0.0988 0.1818 0.1703 0.0295 -0.0301 -0.0146 148 ALA A O 2092 C CB . ALA A 148 ? 0.1181 0.1821 0.1630 -0.0007 -0.0187 -0.0172 148 ALA A CB 2098 N N . LYS A 149 ? 0.1091 0.1984 0.1921 0.0213 -0.0248 -0.0154 149 LYS A N 2099 C CA . LYS A 149 ? 0.1359 0.2335 0.2560 0.0177 0.0002 -0.0200 149 LYS A CA 2100 C C . LYS A 149 ? 0.1546 0.2570 0.2692 0.0169 -0.0103 -0.0346 149 LYS A C 2101 O O . LYS A 149 ? 0.1464 0.2616 0.2862 0.0317 0.0181 -0.0265 149 LYS A O 2102 C CB . LYS A 149 ? 0.1888 0.2576 0.3245 -0.0141 0.0650 -0.0112 149 LYS A CB 2103 C CG . LYS A 149 ? 0.2769 0.2741 0.3577 -0.0090 0.0435 -0.0015 149 LYS A CG 2104 C CD . LYS A 149 ? 0.3148 0.2769 0.3798 -0.0098 0.0391 0.0018 149 LYS A CD 2105 C CE . LYS A 149 ? 0.3228 0.2883 0.3959 -0.0182 0.0408 -0.0033 149 LYS A CE 2114 N N . ALA A 150 ? 0.1356 0.2830 0.2740 0.0343 -0.0628 -0.0353 150 ALA A N 2115 C CA . ALA A 150 ? 0.1547 0.3084 0.2946 0.0502 -0.0377 -0.0435 150 ALA A CA 2116 C C . ALA A 150 ? 0.1657 0.3115 0.3019 0.0564 -0.0384 -0.0319 150 ALA A C 2117 O O . ALA A 150 ? 0.1622 0.3321 0.3540 0.0553 -0.0346 -0.0393 150 ALA A O 2118 C CB . ALA A 150 ? 0.1837 0.3225 0.2888 0.0604 -0.0325 -0.0602 150 ALA A CB 2124 N N . SER A 151 ? 0.1590 0.2911 0.2550 0.0477 -0.0774 -0.0184 151 SER A N 2125 C CA A SER A 151 ? 0.1557 0.2765 0.2317 0.0503 -0.0925 0.0024 151 SER A CA 2126 C CA B SER A 151 ? 0.1484 0.2726 0.2413 0.0506 -0.0896 -0.0051 151 SER A CA 2127 C C . SER A 151 ? 0.1364 0.2447 0.2159 0.0420 -0.0883 0.0038 151 SER A C 2128 O O . SER A 151 ? 0.1699 0.2191 0.2183 0.0498 -0.0615 0.0169 151 SER A O 2129 C CB A SER A 151 ? 0.1848 0.2942 0.2237 0.0508 -0.0916 0.0127 151 SER A CB 2130 C CB B SER A 151 ? 0.1635 0.2819 0.2534 0.0545 -0.0823 -0.0076 151 SER A CB 2131 O OG A SER A 151 ? 0.2197 0.3052 0.2242 0.0476 -0.0727 0.0137 151 SER A OG 2132 O OG B SER A 151 ? 0.1853 0.2855 0.2714 0.0525 -0.0607 -0.0170 151 SER A OG 2143 N N . LEU A 152 ? 0.1232 0.2203 0.2032 0.0180 -0.0872 0.0080 152 LEU A N 2144 C CA . LEU A 152 ? 0.0999 0.1938 0.1923 0.0117 -0.0703 0.0218 152 LEU A CA 2145 C C . LEU A 152 ? 0.0854 0.1853 0.2083 0.0107 -0.0597 0.0179 152 LEU A C 2146 O O . LEU A 152 ? 0.0952 0.2032 0.2494 -0.0064 -0.0676 0.0166 152 LEU A O 2147 C CB . LEU A 152 ? 0.0946 0.1875 0.1889 0.0090 -0.0678 0.0187 152 LEU A CB 2148 C CG . LEU A 152 ? 0.0950 0.1934 0.1915 0.0155 -0.0485 0.0288 152 LEU A CG 2149 C CD1 . LEU A 152 ? 0.1287 0.2005 0.1993 0.0224 -0.0525 0.0486 152 LEU A CD1 2150 C CD2 . LEU A 152 ? 0.1037 0.2035 0.2197 0.0023 -0.0257 0.0299 152 LEU A CD2 2162 N N . ASP A 153 ? 0.0742 0.1609 0.2014 0.0011 -0.0485 0.0268 153 ASP A N 2163 C CA . ASP A 153 ? 0.0752 0.1705 0.2342 0.0197 -0.0310 0.0341 153 ASP A CA 2164 C C . ASP A 153 ? 0.0769 0.1756 0.2483 0.0058 -0.0395 0.0318 153 ASP A C 2165 O O . ASP A 153 ? 0.0842 0.2032 0.2901 0.0036 -0.0350 0.0399 153 ASP A O 2166 C CB . ASP A 153 ? 0.1040 0.1700 0.2397 0.0343 -0.0272 0.0300 153 ASP A CB 2167 C CG . ASP A 153 ? 0.1350 0.1898 0.2536 0.0496 -0.0191 0.0204 153 ASP A CG 2168 O OD1 . ASP A 153 ? 0.1523 0.1968 0.2584 0.0472 0.0038 0.0233 153 ASP A OD1 2169 O OD2 . ASP A 153 ? 0.1338 0.1992 0.2570 0.0404 -0.0313 -0.0023 153 ASP A OD2 2174 N N . SER A 154 ? 0.0757 0.1631 0.2376 0.0050 -0.0432 0.0255 154 SER A N 2175 C CA . SER A 154 ? 0.0734 0.1616 0.2235 -0.0054 -0.0454 0.0229 154 SER A CA 2176 C C . SER A 154 ? 0.0750 0.1458 0.2162 -0.0134 -0.0488 0.0183 154 SER A C 2177 O O . SER A 154 ? 0.0780 0.1413 0.2220 -0.0104 -0.0491 0.0381 154 SER A O 2178 C CB . SER A 154 ? 0.1324 0.1718 0.2326 0.0053 -0.0341 0.0441 154 SER A CB 2179 O OG . SER A 154 ? 0.1676 0.1901 0.2765 0.0130 -0.0104 0.0333 154 SER A OG 2185 N N . PRO A 155 ? 0.0913 0.1463 0.2175 -0.0166 -0.0654 0.0204 155 PRO A N 2186 C CA . PRO A 155 ? 0.0971 0.1460 0.2061 -0.0103 -0.0714 0.0211 155 PRO A CA 2187 C C . PRO A 155 ? 0.0946 0.1260 0.2023 -0.0048 -0.0518 0.0166 155 PRO A C 2188 O O . PRO A 155 ? 0.0897 0.1206 0.1990 -0.0082 -0.0630 0.0014 155 PRO A O 2189 C CB . PRO A 155 ? 0.1114 0.1621 0.2253 -0.0273 -0.0785 0.0131 155 PRO A CB 2190 C CG . PRO A 155 ? 0.1214 0.1518 0.2490 -0.0397 -0.0659 0.0104 155 PRO A CG 2191 C CD . PRO A 155 ? 0.1035 0.1494 0.2375 -0.0284 -0.0702 0.0142 155 PRO A CD 2199 N N . VAL A 156 ? 0.0747 0.1161 0.1835 -0.0059 -0.0491 0.0085 156 VAL A N 2200 C CA . VAL A 156 ? 0.0809 0.1099 0.1663 -0.0032 -0.0468 0.0038 156 VAL A CA 2201 C C . VAL A 156 ? 0.0775 0.1055 0.1566 0.0009 -0.0464 0.0018 156 VAL A C 2202 O O . VAL A 156 ? 0.0790 0.0979 0.1613 -0.0021 -0.0428 0.0039 156 VAL A O 2203 C CB . VAL A 156 ? 0.1058 0.1438 0.1667 -0.0017 -0.0394 0.0173 156 VAL A CB 2204 C CG1 . VAL A 156 ? 0.1134 0.1763 0.1863 0.0015 -0.0434 0.0170 156 VAL A CG1 2205 C CG2 . VAL A 156 ? 0.1325 0.1550 0.1958 -0.0086 -0.0181 0.0156 156 VAL A CG2 2215 N N . PHE A 157 ? 0.0674 0.1001 0.1570 0.0036 -0.0405 -0.0034 157 PHE A N 2216 C CA . PHE A 157 ? 0.0620 0.0983 0.1475 0.0006 -0.0455 -0.0015 157 PHE A CA 2217 C C . PHE A 157 ? 0.0706 0.0889 0.1489 -0.0052 -0.0452 0.0093 157 PHE A C 2218 O O . PHE A 157 ? 0.0881 0.0957 0.1425 -0.0069 -0.0450 0.0148 157 PHE A O 2219 C CB . PHE A 157 ? 0.0722 0.1078 0.1469 0.0011 -0.0264 0.0223 157 PHE A CB 2220 C CG . PHE A 157 ? 0.0748 0.1100 0.1334 0.0021 -0.0249 0.0154 157 PHE A CG 2221 C CD1 . PHE A 157 ? 0.0688 0.1075 0.1470 0.0078 -0.0218 0.0306 157 PHE A CD1 2222 C CD2 . PHE A 157 ? 0.1002 0.1113 0.1321 -0.0030 -0.0358 0.0177 157 PHE A CD2 2223 C CE1 . PHE A 157 ? 0.0925 0.1183 0.1417 0.0112 -0.0148 0.0314 157 PHE A CE1 2224 C CE2 . PHE A 157 ? 0.1020 0.1206 0.1466 -0.0060 -0.0216 0.0109 157 PHE A CE2 2225 C CZ . PHE A 157 ? 0.0975 0.1183 0.1455 -0.0059 -0.0108 0.0165 157 PHE A CZ 2235 N N . THR A 158 ? 0.0693 0.0880 0.1359 -0.0020 -0.0514 0.0087 158 THR A N 2236 C CA . THR A 158 ? 0.0596 0.0850 0.1309 -0.0079 -0.0440 0.0069 158 THR A CA 2237 C C . THR A 158 ? 0.0605 0.0895 0.1288 -0.0073 -0.0401 0.0173 158 THR A C 2238 O O . THR A 158 ? 0.0584 0.0974 0.1344 -0.0070 -0.0320 0.0165 158 THR A O 2239 C CB . THR A 158 ? 0.0696 0.0910 0.1563 0.0088 -0.0318 0.0063 158 THR A CB 2240 O OG1 . THR A 158 ? 0.0688 0.0968 0.1370 0.0067 -0.0280 0.0026 158 THR A OG1 2241 C CG2 . THR A 158 ? 0.0570 0.0992 0.1654 0.0052 -0.0194 -0.0064 158 THR A CG2 2249 N N . ALA A 159 ? 0.0585 0.0926 0.1428 -0.0130 -0.0405 0.0150 159 ALA A N 2250 C CA . ALA A 159 ? 0.0550 0.1011 0.1456 -0.0187 -0.0334 0.0048 159 ALA A CA 2251 C C . ALA A 159 ? 0.0484 0.0989 0.1389 -0.0100 -0.0314 0.0078 159 ALA A C 2252 O O . ALA A 159 ? 0.0595 0.1061 0.1563 -0.0103 -0.0359 0.0035 159 ALA A O 2253 C CB . ALA A 159 ? 0.0700 0.1003 0.1695 -0.0080 -0.0318 0.0026 159 ALA A CB 2259 N N . ASP A 160 ? 0.0651 0.0870 0.1286 -0.0094 -0.0295 0.0023 160 ASP A N 2260 C CA . ASP A 160 ? 0.0759 0.0921 0.1210 -0.0134 -0.0295 0.0031 160 ASP A CA 2261 C C . ASP A 160 ? 0.0739 0.0866 0.1244 -0.0117 -0.0399 0.0057 160 ASP A C 2262 O O . ASP A 160 ? 0.0780 0.0927 0.1609 -0.0204 -0.0476 0.0129 160 ASP A O 2263 C CB . ASP A 160 ? 0.0738 0.1034 0.1294 0.0055 -0.0473 0.0065 160 ASP A CB 2264 C CG . ASP A 160 ? 0.1159 0.1100 0.1498 0.0248 -0.0357 0.0028 160 ASP A CG 2265 O OD1 . ASP A 160 ? 0.1461 0.1129 0.1632 0.0238 -0.0599 -0.0083 160 ASP A OD1 2266 O OD2 . ASP A 160 ? 0.1337 0.1195 0.1737 0.0425 -0.0466 -0.0083 160 ASP A OD2 2271 N N . LEU A 161 ? 0.0667 0.0894 0.1341 -0.0037 -0.0345 0.0127 161 LEU A N 2272 C CA . LEU A 161 ? 0.0734 0.0876 0.1334 -0.0065 -0.0146 0.0173 161 LEU A CA 2273 C C . LEU A 161 ? 0.0645 0.0996 0.1533 -0.0022 -0.0409 0.0045 161 LEU A C 2274 O O . LEU A 161 ? 0.1063 0.1236 0.1524 -0.0045 -0.0365 0.0010 161 LEU A O 2275 C CB . LEU A 161 ? 0.0758 0.0983 0.1353 -0.0188 -0.0026 0.0210 161 LEU A CB 2276 C CG . LEU A 161 ? 0.1024 0.1064 0.1333 -0.0160 -0.0344 0.0072 161 LEU A CG 2277 C CD1 . LEU A 161 ? 0.1378 0.1178 0.1571 -0.0089 -0.0283 -0.0080 161 LEU A CD1 2278 C CD2 . LEU A 161 ? 0.1356 0.1293 0.1321 -0.0225 -0.0096 -0.0021 161 LEU A CD2 2290 N N . GLY A 162 ? 0.0786 0.1192 0.1593 -0.0123 -0.0459 0.0055 162 GLY A N 2291 C CA . GLY A 162 ? 0.0816 0.1253 0.1476 -0.0107 -0.0464 -0.0101 162 GLY A CA 2292 C C . GLY A 162 ? 0.0900 0.1480 0.1312 -0.0066 -0.0626 0.0048 162 GLY A C 2293 O O . GLY A 162 ? 0.1153 0.1733 0.1621 0.0121 -0.0447 0.0119 162 GLY A O 2297 N N . TYR A 163 ? 0.1108 0.1820 0.1406 -0.0037 -0.0605 -0.0090 163 TYR A N 2298 C CA . TYR A 163 ? 0.1150 0.1703 0.1500 -0.0042 -0.0647 0.0001 163 TYR A CA 2299 C C . TYR A 163 ? 0.1142 0.1601 0.1485 -0.0036 -0.0656 -0.0082 163 TYR A C 2300 O O . TYR A 163 ? 0.1230 0.1500 0.1566 -0.0055 -0.0610 -0.0182 163 TYR A O 2301 C CB . TYR A 163 ? 0.1442 0.1615 0.1555 -0.0062 -0.0557 0.0123 163 TYR A CB 2302 C CG . TYR A 163 ? 0.1562 0.1611 0.1690 -0.0240 -0.0606 0.0402 163 TYR A CG 2303 C CD1 . TYR A 163 ? 0.1533 0.1740 0.1740 -0.0318 -0.0668 0.0413 163 TYR A CD1 2304 C CD2 . TYR A 163 ? 0.1618 0.1824 0.1792 -0.0113 -0.0755 0.0360 163 TYR A CD2 2305 C CE1 . TYR A 163 ? 0.1686 0.1901 0.1989 -0.0002 -0.0632 0.0470 163 TYR A CE1 2306 C CE2 . TYR A 163 ? 0.1670 0.2030 0.2002 0.0041 -0.0785 0.0304 163 TYR A CE2 2307 C CZ . TYR A 163 ? 0.1714 0.2087 0.1987 0.0135 -0.0841 0.0528 163 TYR A CZ 2308 O OH . TYR A 163 ? 0.2067 0.2405 0.2178 0.0116 -0.0970 0.0653 163 TYR A OH 2318 N N . HIS A 164 ? 0.0899 0.1728 0.1735 -0.0074 -0.0664 -0.0060 164 HIS A N 2319 C CA . HIS A 164 ? 0.1071 0.1963 0.1925 -0.0228 -0.0755 0.0121 164 HIS A CA 2320 C C . HIS A 164 ? 0.1324 0.1755 0.1827 -0.0353 -0.0829 0.0163 164 HIS A C 2321 O O . HIS A 164 ? 0.1741 0.1901 0.2125 -0.0411 -0.1039 0.0073 164 HIS A O 2322 C CB . HIS A 164 ? 0.1173 0.2468 0.2285 -0.0231 -0.0815 0.0260 164 HIS A CB 2323 C CG . HIS A 164 ? 0.1337 0.2721 0.2421 -0.0160 -0.0919 0.0365 164 HIS A CG 2324 N ND1 . HIS A 164 ? 0.1731 0.3041 0.2724 0.0018 -0.0977 0.0906 164 HIS A ND1 2325 C CD2 . HIS A 164 ? 0.1483 0.3044 0.2740 0.0337 -0.0891 0.0545 164 HIS A CD2 2326 C CE1 . HIS A 164 ? 0.1572 0.3294 0.3064 0.0222 -0.0895 0.0748 164 HIS A CE1 2327 N NE2 . HIS A 164 ? 0.1547 0.3204 0.2963 0.0491 -0.0805 0.0669 164 HIS A NE2 2334 N N . ALA A 165 ? 0.1160 0.1505 0.1773 -0.0409 -0.0706 0.0038 165 ALA A N 2335 C CA . ALA A 165 ? 0.1427 0.1575 0.1558 -0.0238 -0.0739 -0.0015 165 ALA A CA 2336 C C . ALA A 165 ? 0.1198 0.1446 0.1413 -0.0289 -0.0646 0.0079 165 ALA A C 2337 O O . ALA A 165 ? 0.1281 0.1476 0.1319 -0.0385 -0.0503 0.0093 165 ALA A O 2338 C CB . ALA A 165 ? 0.1771 0.1661 0.1728 -0.0051 -0.0547 -0.0196 165 ALA A CB 2344 N N . PRO A 166 ? 0.1005 0.1267 0.1608 -0.0272 -0.0546 0.0132 166 PRO A N 2345 C CA . PRO A 166 ? 0.0967 0.1334 0.1519 -0.0202 -0.0668 0.0163 166 PRO A CA 2346 C C . PRO A 166 ? 0.1120 0.1621 0.1257 -0.0355 -0.0466 0.0090 166 PRO A C 2347 O O . PRO A 166 ? 0.1086 0.1928 0.1413 -0.0343 -0.0458 0.0080 166 PRO A O 2348 C CB . PRO A 166 ? 0.1125 0.1405 0.1584 -0.0424 -0.0647 0.0032 166 PRO A CB 2349 C CG . PRO A 166 ? 0.1319 0.1442 0.1795 -0.0510 -0.0468 0.0161 166 PRO A CG 2350 C CD . PRO A 166 ? 0.1109 0.1329 0.1643 -0.0420 -0.0516 0.0075 166 PRO A CD 2358 N N . GLY A 167 ? 0.0979 0.1616 0.1102 -0.0478 -0.0386 0.0143 167 GLY A N 2359 C CA . GLY A 167 ? 0.0655 0.1310 0.1249 -0.0194 -0.0386 0.0126 167 GLY A CA 2360 C C . GLY A 167 ? 0.0652 0.0981 0.1255 -0.0115 -0.0351 0.0097 167 GLY A C 2361 O O . GLY A 167 ? 0.0889 0.0933 0.1235 -0.0118 -0.0337 0.0099 167 GLY A O 2365 N N . THR A 168 ? 0.0682 0.0948 0.1260 -0.0196 -0.0382 0.0139 168 THR A N 2366 C CA . THR A 168 ? 0.0820 0.0883 0.1251 -0.0024 -0.0392 0.0126 168 THR A CA 2367 C C . THR A 168 ? 0.0736 0.0839 0.1215 -0.0020 -0.0351 0.0098 168 THR A C 2368 O O . THR A 168 ? 0.0820 0.0850 0.1304 -0.0069 -0.0371 0.0101 168 THR A O 2369 C CB . THR A 168 ? 0.1014 0.1017 0.1478 0.0142 -0.0561 -0.0070 168 THR A CB 2370 O OG1 . THR A 168 ? 0.1025 0.0990 0.1715 -0.0049 -0.0312 -0.0064 168 THR A OG1 2371 C CG2 . THR A 168 ? 0.1111 0.1202 0.1573 0.0241 -0.0559 -0.0102 168 THR A CG2 2379 N N . TYR A 169 ? 0.0614 0.1023 0.1184 0.0033 -0.0323 0.0078 169 TYR A N 2380 C CA . TYR A 169 ? 0.0537 0.0986 0.1172 0.0003 -0.0269 -0.0088 169 TYR A CA 2381 C C . TYR A 169 ? 0.0615 0.0872 0.1318 -0.0035 -0.0296 0.0101 169 TYR A C 2382 O O . TYR A 169 ? 0.0819 0.0930 0.1397 -0.0130 -0.0355 0.0162 169 TYR A O 2383 C CB . TYR A 169 ? 0.0719 0.1077 0.1344 0.0035 -0.0391 -0.0121 169 TYR A CB 2384 C CG . TYR A 169 ? 0.0742 0.0946 0.1359 0.0022 -0.0406 -0.0050 169 TYR A CG 2385 C CD1 . TYR A 169 ? 0.0835 0.0972 0.1594 -0.0120 -0.0232 -0.0004 169 TYR A CD1 2386 C CD2 . TYR A 169 ? 0.0742 0.0931 0.1253 0.0106 -0.0486 -0.0042 169 TYR A CD2 2387 C CE1 . TYR A 169 ? 0.0925 0.0923 0.1674 0.0017 -0.0070 0.0051 169 TYR A CE1 2388 C CE2 . TYR A 169 ? 0.0824 0.0959 0.1303 0.0165 -0.0431 -0.0015 169 TYR A CE2 2389 C CZ . TYR A 169 ? 0.0985 0.0919 0.1289 0.0140 -0.0288 0.0117 169 TYR A CZ 2390 O OH . TYR A 169 ? 0.1357 0.0970 0.1385 0.0113 -0.0221 0.0202 169 TYR A OH 2400 N N . ASN A 170 ? 0.0616 0.0977 0.1348 -0.0093 -0.0365 0.0188 170 ASN A N 2401 C CA . ASN A 170 ? 0.0502 0.1027 0.1388 -0.0116 -0.0306 0.0259 170 ASN A CA 2402 C C . ASN A 170 ? 0.0662 0.0969 0.1514 -0.0140 -0.0439 0.0204 170 ASN A C 2403 O O . ASN A 170 ? 0.0779 0.1006 0.1612 -0.0121 -0.0529 0.0250 170 ASN A O 2404 C CB . ASN A 170 ? 0.0591 0.1059 0.1300 0.0018 -0.0301 0.0169 170 ASN A CB 2405 C CG . ASN A 170 ? 0.0799 0.1062 0.1555 0.0070 -0.0219 0.0045 170 ASN A CG 2406 O OD1 . ASN A 170 ? 0.1017 0.1085 0.1473 0.0009 -0.0345 -0.0033 170 ASN A OD1 2407 N ND2 . ASN A 170 ? 0.0879 0.0967 0.1458 0.0013 -0.0311 0.0156 170 ASN A ND2 2414 N N . PHE A 171 ? 0.0720 0.1001 0.1516 -0.0027 -0.0529 0.0157 171 PHE A N 2415 C CA . PHE A 171 ? 0.0748 0.1232 0.1383 -0.0064 -0.0423 0.0269 171 PHE A CA 2416 C C . PHE A 171 ? 0.0767 0.1157 0.1537 -0.0036 -0.0519 0.0304 171 PHE A C 2417 O O . PHE A 171 ? 0.0846 0.1129 0.1587 0.0046 -0.0477 0.0199 171 PHE A O 2418 C CB . PHE A 171 ? 0.0835 0.1291 0.1374 0.0036 -0.0274 0.0138 171 PHE A CB 2419 C CG . PHE A 171 ? 0.0757 0.1369 0.1580 -0.0004 -0.0213 0.0197 171 PHE A CG 2420 C CD1 . PHE A 171 ? 0.0795 0.1454 0.1846 0.0055 -0.0262 0.0221 171 PHE A CD1 2421 C CD2 . PHE A 171 ? 0.1116 0.1375 0.1657 0.0053 -0.0105 0.0192 171 PHE A CD2 2422 C CE1 . PHE A 171 ? 0.0917 0.1594 0.1799 0.0040 -0.0263 0.0278 171 PHE A CE1 2423 C CE2 . PHE A 171 ? 0.1313 0.1371 0.1796 0.0150 0.0027 0.0251 171 PHE A CE2 2424 C CZ . PHE A 171 ? 0.0976 0.1507 0.1911 0.0278 0.0011 0.0292 171 PHE A CZ 2434 N N . GLY A 172 ? 0.0849 0.1007 0.1463 -0.0040 -0.0375 0.0297 172 GLY A N 2435 C CA . GLY A 172 ? 0.0836 0.1117 0.1632 0.0023 -0.0415 0.0259 172 GLY A CA 2436 C C . GLY A 172 ? 0.0743 0.1256 0.1634 -0.0009 -0.0545 0.0151 172 GLY A C 2437 O O . GLY A 172 ? 0.0684 0.1506 0.1761 0.0168 -0.0428 0.0186 172 GLY A O 2441 N N . PHE A 173 ? 0.0791 0.1307 0.1590 0.0122 -0.0505 0.0058 173 PHE A N 2442 C CA . PHE A 173 ? 0.0909 0.1412 0.1618 0.0145 -0.0345 0.0164 173 PHE A CA 2443 C C . PHE A 173 ? 0.0701 0.1445 0.1592 0.0135 -0.0305 0.0208 173 PHE A C 2444 O O . PHE A 173 ? 0.0772 0.1497 0.1497 0.0046 -0.0432 0.0153 173 PHE A O 2445 C CB . PHE A 173 ? 0.0964 0.1469 0.1681 0.0269 -0.0326 0.0295 173 PHE A CB 2446 C CG . PHE A 173 ? 0.1001 0.1347 0.1622 0.0274 -0.0316 0.0267 173 PHE A CG 2447 C CD1 . PHE A 173 ? 0.0948 0.1233 0.1697 0.0147 -0.0307 0.0209 173 PHE A CD1 2448 C CD2 . PHE A 173 ? 0.1163 0.1328 0.1695 0.0253 -0.0057 0.0206 173 PHE A CD2 2449 C CE1 . PHE A 173 ? 0.1091 0.1305 0.1691 0.0044 -0.0268 0.0136 173 PHE A CE1 2450 C CE2 . PHE A 173 ? 0.1256 0.1340 0.1727 0.0239 -0.0218 0.0173 173 PHE A CE2 2451 C CZ . PHE A 173 ? 0.1070 0.1213 0.1667 0.0028 -0.0423 0.0068 173 PHE A CZ 2461 N N . ILE A 174 ? 0.0754 0.1613 0.1609 0.0216 -0.0268 0.0398 174 ILE A N 2462 C CA . ILE A 174 ? 0.0794 0.1837 0.1531 0.0235 -0.0325 0.0471 174 ILE A CA 2463 C C . ILE A 174 ? 0.0809 0.1987 0.1599 0.0412 -0.0246 0.0216 174 ILE A C 2464 O O . ILE A 174 ? 0.1085 0.2368 0.1796 0.0536 -0.0019 0.0152 174 ILE A O 2465 C CB . ILE A 174 ? 0.1221 0.2064 0.1951 0.0173 -0.0215 0.0771 174 ILE A CB 2466 C CG1 . ILE A 174 ? 0.1722 0.2013 0.2067 -0.0363 -0.0288 0.0669 174 ILE A CG1 2467 C CG2 . ILE A 174 ? 0.1138 0.2183 0.2217 0.0064 -0.0247 0.0899 174 ILE A CG2 2468 C CD1 . ILE A 174 ? 0.1992 0.2193 0.2587 -0.0144 0.0064 0.0708 174 ILE A CD1 2480 N N . ASP A 175 ? 0.0988 0.1752 0.1565 0.0360 -0.0321 0.0149 175 ASP A N 2481 C CA . ASP A 175 ? 0.1161 0.1759 0.1657 0.0383 -0.0147 0.0144 175 ASP A CA 2482 C C . ASP A 175 ? 0.1282 0.1860 0.1808 0.0421 -0.0091 0.0119 175 ASP A C 2483 O O . ASP A 175 ? 0.1346 0.1679 0.1697 0.0454 -0.0136 0.0164 175 ASP A O 2484 C CB . ASP A 175 ? 0.1346 0.1506 0.1663 0.0234 -0.0012 0.0104 175 ASP A CB 2485 C CG . ASP A 175 ? 0.1607 0.1578 0.2017 0.0173 0.0120 0.0015 175 ASP A CG 2486 O OD1 . ASP A 175 ? 0.1878 0.1684 0.2181 0.0363 0.0023 0.0249 175 ASP A OD1 2487 O OD2 . ASP A 175 ? 0.1781 0.1768 0.2332 0.0086 0.0352 -0.0184 175 ASP A OD2 2492 N N . THR A 176 ? 0.1377 0.2032 0.1930 0.0518 0.0141 0.0211 176 THR A N 2493 C CA . THR A 176 ? 0.1558 0.2159 0.2108 0.0501 0.0232 0.0151 176 THR A CA 2494 C C . THR A 176 ? 0.1961 0.2057 0.1949 0.0451 0.0133 0.0178 176 THR A C 2495 O O . THR A 176 ? 0.2395 0.2190 0.1793 0.0312 0.0095 0.0362 176 THR A O 2496 C CB . THR A 176 ? 0.1740 0.2425 0.2554 0.0565 0.0478 0.0035 176 THR A CB 2497 O OG1 . THR A 176 ? 0.1929 0.2614 0.2900 0.0847 0.0759 -0.0039 176 THR A OG1 2498 C CG2 . THR A 176 ? 0.1808 0.2632 0.2783 0.0345 0.0311 0.0098 176 THR A CG2 2506 N N . THR A 177 ? 0.1894 0.1900 0.1977 0.0737 0.0037 -0.0017 177 THR A N 2507 C CA . THR A 177 ? 0.2207 0.1829 0.1971 0.0691 -0.0141 -0.0149 177 THR A CA 2508 C C . THR A 177 ? 0.2122 0.1678 0.1875 0.0532 -0.0173 -0.0239 177 THR A C 2509 O O . THR A 177 ? 0.2220 0.1820 0.2106 0.0397 -0.0250 -0.0305 177 THR A O 2510 C CB . THR A 177 ? 0.2572 0.1939 0.2289 0.0691 -0.0358 -0.0241 177 THR A CB 2511 O OG1 . THR A 177 ? 0.2814 0.1867 0.2314 0.0575 -0.0534 -0.0272 177 THR A OG1 2512 C CG2 . THR A 177 ? 0.2786 0.1967 0.2554 0.0894 -0.0244 -0.0245 177 THR A CG2 2520 N N . ALA A 178 ? 0.1590 0.1458 0.1686 0.0467 -0.0180 -0.0104 178 ALA A N 2521 C CA . ALA A 178 ? 0.1370 0.1471 0.1776 0.0374 -0.0202 -0.0071 178 ALA A CA 2522 C C . ALA A 178 ? 0.1014 0.1499 0.1853 0.0292 -0.0284 0.0100 178 ALA A C 2523 O O . ALA A 178 ? 0.1108 0.1804 0.2022 0.0257 -0.0196 0.0400 178 ALA A O 2524 C CB . ALA A 178 ? 0.1455 0.1449 0.1732 0.0346 -0.0215 -0.0098 178 ALA A CB 2530 N N . TYR A 179 ? 0.1051 0.1374 0.1754 0.0133 -0.0235 -0.0038 179 TYR A N 2531 C CA . TYR A 179 ? 0.1057 0.1451 0.1707 0.0069 -0.0231 -0.0005 179 TYR A CA 2532 C C . TYR A 179 ? 0.0973 0.1547 0.1605 0.0110 -0.0248 -0.0067 179 TYR A C 2533 O O . TYR A 179 ? 0.1404 0.1655 0.1787 0.0232 -0.0043 0.0080 179 TYR A O 2534 C CB . TYR A 179 ? 0.0901 0.1361 0.1577 -0.0104 -0.0197 -0.0041 179 TYR A CB 2535 C CG . TYR A 179 ? 0.0805 0.1376 0.1738 -0.0072 -0.0114 -0.0219 179 TYR A CG 2536 C CD1 . TYR A 179 ? 0.0965 0.1446 0.1710 -0.0043 -0.0235 -0.0232 179 TYR A CD1 2537 C CD2 . TYR A 179 ? 0.1150 0.1423 0.1697 -0.0225 -0.0239 -0.0185 179 TYR A CD2 2538 C CE1 . TYR A 179 ? 0.0894 0.1497 0.2037 -0.0056 -0.0039 -0.0330 179 TYR A CE1 2539 C CE2 . TYR A 179 ? 0.1265 0.1444 0.2004 0.0048 -0.0348 -0.0223 179 TYR A CE2 2540 C CZ . TYR A 179 ? 0.1084 0.1571 0.2254 0.0127 -0.0385 -0.0484 179 TYR A CZ 2541 O OH . TYR A 179 ? 0.1379 0.1710 0.2817 0.0028 -0.0590 -0.0582 179 TYR A OH 2551 N N . THR A 180 ? 0.0925 0.1587 0.1604 -0.0140 -0.0242 -0.0218 180 THR A N 2552 C CA . THR A 180 ? 0.1086 0.1672 0.1690 -0.0121 -0.0248 -0.0144 180 THR A CA 2553 C C . THR A 180 ? 0.1007 0.1660 0.1806 -0.0126 -0.0211 -0.0139 180 THR A C 2554 O O . THR A 180 ? 0.1040 0.1655 0.1893 -0.0115 -0.0135 -0.0015 180 THR A O 2555 C CB . THR A 180 ? 0.1375 0.1910 0.1803 -0.0301 -0.0273 -0.0176 180 THR A CB 2556 O OG1 . THR A 180 ? 0.1542 0.2389 0.2225 0.0054 -0.0333 -0.0045 180 THR A OG1 2557 C CG2 . THR A 180 ? 0.1920 0.2038 0.1866 -0.0545 -0.0021 -0.0414 180 THR A CG2 2565 N N . GLY A 181 ? 0.1061 0.1569 0.1750 -0.0111 -0.0165 -0.0188 181 GLY A N 2566 C CA . GLY A 181 ? 0.1237 0.1491 0.1695 -0.0162 -0.0130 -0.0132 181 GLY A CA 2567 C C . GLY A 181 ? 0.1094 0.1498 0.1582 -0.0100 -0.0102 0.0056 181 GLY A C 2568 O O . GLY A 181 ? 0.1179 0.1450 0.1669 -0.0155 -0.0149 -0.0077 181 GLY A O 2572 N N A SER A 182 ? 0.0997 0.1387 0.1398 -0.0055 -0.0256 0.0070 182 SER A N 2573 N N B SER A 182 ? 0.0984 0.1510 0.1509 -0.0064 -0.0266 0.0036 182 SER A N 2574 C CA A SER A 182 ? 0.1053 0.1372 0.1562 -0.0238 -0.0261 0.0089 182 SER A CA 2575 C CA B SER A 182 ? 0.0926 0.1541 0.1576 -0.0119 -0.0357 0.0037 182 SER A CA 2576 C C A SER A 182 ? 0.0959 0.1307 0.1631 -0.0114 -0.0420 0.0113 182 SER A C 2577 C C B SER A 182 ? 0.0862 0.1413 0.1620 -0.0047 -0.0300 0.0156 182 SER A C 2578 O O A SER A 182 ? 0.0991 0.1366 0.1577 -0.0178 -0.0501 0.0088 182 SER A O 2579 O O B SER A 182 ? 0.0767 0.1504 0.1648 -0.0051 -0.0158 0.0251 182 SER A O 2580 C CB A SER A 182 ? 0.1411 0.1655 0.2034 -0.0265 -0.0128 0.0181 182 SER A CB 2581 C CB B SER A 182 ? 0.0986 0.1784 0.1734 -0.0136 -0.0526 -0.0040 182 SER A CB 2582 O OG A SER A 182 ? 0.1715 0.1745 0.2365 -0.0498 0.0003 0.0292 182 SER A OG 2583 O OG B SER A 182 ? 0.1073 0.1958 0.1794 -0.0288 -0.0594 -0.0207 182 SER A OG 2594 N N . ILE A 183 ? 0.1084 0.1221 0.1614 0.0001 -0.0171 0.0152 183 ILE A N 2595 C CA . ILE A 183 ? 0.0840 0.1189 0.1644 0.0074 -0.0244 0.0101 183 ILE A CA 2596 C C . ILE A 183 ? 0.0754 0.1190 0.1841 0.0030 -0.0264 0.0087 183 ILE A C 2597 O O . ILE A 183 ? 0.0791 0.1263 0.2267 0.0018 -0.0261 -0.0015 183 ILE A O 2598 C CB . ILE A 183 ? 0.0823 0.1153 0.1548 0.0008 -0.0242 0.0058 183 ILE A CB 2599 C CG1 . ILE A 183 ? 0.1147 0.1201 0.1599 -0.0012 -0.0224 0.0050 183 ILE A CG1 2600 C CG2 . ILE A 183 ? 0.0896 0.1207 0.1609 -0.0040 -0.0102 0.0063 183 ILE A CG2 2601 C CD1 . ILE A 183 ? 0.1169 0.1185 0.1689 -0.0044 -0.0299 0.0075 183 ILE A CD1 2614 N N . THR A 184 ? 0.0722 0.1150 0.1629 0.0015 -0.0302 0.0181 184 THR A N 2615 C CA . THR A 184 ? 0.0691 0.1161 0.1490 0.0105 -0.0216 0.0253 184 THR A CA 2616 C C . THR A 184 ? 0.0639 0.1065 0.1529 -0.0031 -0.0308 0.0277 184 THR A C 2617 O O . THR A 184 ? 0.0565 0.1247 0.1756 -0.0185 -0.0206 0.0176 184 THR A O 2618 C CB . THR A 184 ? 0.1025 0.1329 0.1665 0.0220 -0.0092 0.0301 184 THR A CB 2619 O OG1 . THR A 184 ? 0.1545 0.1804 0.1758 0.0381 -0.0237 0.0335 184 THR A OG1 2620 C CG2 . THR A 184 ? 0.1081 0.1192 0.1628 0.0066 -0.0274 0.0337 184 THR A CG2 2628 N N . TYR A 185 ? 0.0676 0.1148 0.1440 0.0007 -0.0236 0.0142 185 TYR A N 2629 C CA . TYR A 185 ? 0.0587 0.1110 0.1469 -0.0141 -0.0323 0.0150 185 TYR A CA 2630 C C . TYR A 185 ? 0.0812 0.1120 0.1637 -0.0114 -0.0089 0.0204 185 TYR A C 2631 O O . TYR A 185 ? 0.1188 0.1170 0.1602 -0.0100 0.0148 0.0180 185 TYR A O 2632 C CB . TYR A 185 ? 0.0753 0.1142 0.1533 -0.0124 -0.0182 0.0118 185 TYR A CB 2633 C CG . TYR A 185 ? 0.0702 0.1157 0.1659 0.0073 -0.0163 0.0166 185 TYR A CG 2634 C CD1 . TYR A 185 ? 0.0648 0.1184 0.1636 0.0071 -0.0082 0.0161 185 TYR A CD1 2635 C CD2 . TYR A 185 ? 0.0733 0.1167 0.1629 -0.0030 -0.0173 0.0107 185 TYR A CD2 2636 C CE1 . TYR A 185 ? 0.0614 0.1192 0.1565 0.0034 -0.0186 0.0186 185 TYR A CE1 2637 C CE2 . TYR A 185 ? 0.0825 0.1224 0.1772 0.0148 -0.0167 0.0211 185 TYR A CE2 2638 C CZ . TYR A 185 ? 0.0689 0.1150 0.1656 0.0062 -0.0126 0.0384 185 TYR A CZ 2639 O OH . TYR A 185 ? 0.0870 0.1220 0.1856 0.0001 0.0148 0.0530 185 TYR A OH 2649 N N . THR A 186 ? 0.0747 0.1009 0.1586 -0.0029 -0.0114 0.0259 186 THR A N 2650 C CA . THR A 186 ? 0.0622 0.0915 0.1632 -0.0125 -0.0196 0.0162 186 THR A CA 2651 C C . THR A 186 ? 0.0654 0.0982 0.1539 -0.0150 -0.0292 0.0132 186 THR A C 2652 O O . THR A 186 ? 0.0912 0.1084 0.1403 -0.0045 -0.0262 0.0105 186 THR A O 2653 C CB . THR A 186 ? 0.0764 0.1028 0.1796 -0.0087 -0.0366 0.0174 186 THR A CB 2654 O OG1 . THR A 186 ? 0.0947 0.1116 0.1954 0.0108 -0.0346 0.0329 186 THR A OG1 2655 C CG2 . THR A 186 ? 0.0738 0.1102 0.1810 -0.0108 -0.0512 0.0090 186 THR A CG2 2663 N N . ALA A 187 ? 0.0881 0.1111 0.1577 -0.0285 -0.0442 0.0090 187 ALA A N 2664 C CA . ALA A 187 ? 0.0964 0.1209 0.1622 -0.0297 -0.0449 -0.0121 187 ALA A CA 2665 C C . ALA A 187 ? 0.0922 0.1300 0.1583 -0.0203 -0.0336 -0.0189 187 ALA A C 2666 O O . ALA A 187 ? 0.1023 0.1290 0.1603 -0.0125 -0.0274 -0.0067 187 ALA A O 2667 C CB . ALA A 187 ? 0.1440 0.1271 0.1792 -0.0350 -0.0312 -0.0039 187 ALA A CB 2673 N N . VAL A 188 ? 0.0893 0.1550 0.1397 -0.0155 -0.0279 -0.0189 188 VAL A N 2674 C CA . VAL A 188 ? 0.0867 0.1477 0.1476 -0.0204 -0.0425 -0.0039 188 VAL A CA 2675 C C . VAL A 188 ? 0.1008 0.1490 0.1554 -0.0332 -0.0558 -0.0067 188 VAL A C 2676 O O . VAL A 188 ? 0.1091 0.1664 0.1794 -0.0381 -0.0483 -0.0249 188 VAL A O 2677 C CB . VAL A 188 ? 0.0917 0.1314 0.1656 -0.0090 -0.0371 0.0008 188 VAL A CB 2678 C CG1 . VAL A 188 ? 0.0995 0.1191 0.1756 -0.0014 -0.0170 -0.0106 188 VAL A CG1 2679 C CG2 . VAL A 188 ? 0.1107 0.1412 0.1697 -0.0165 -0.0430 0.0076 188 VAL A CG2 2689 N N . SER A 189 ? 0.1182 0.1441 0.1485 -0.0315 -0.0602 -0.0114 189 SER A N 2690 C CA . SER A 189 ? 0.1128 0.1289 0.1681 -0.0359 -0.0616 -0.0066 189 SER A CA 2691 C C . SER A 189 ? 0.1100 0.1247 0.1881 -0.0278 -0.0569 0.0031 189 SER A C 2692 O O . SER A 189 ? 0.1260 0.1270 0.1954 -0.0279 -0.0408 -0.0167 189 SER A O 2693 C CB . SER A 189 ? 0.1590 0.1328 0.1957 -0.0349 -0.0285 -0.0116 189 SER A CB 2694 O OG . SER A 189 ? 0.2175 0.1475 0.2253 -0.0312 -0.0182 -0.0271 189 SER A OG 2700 N N . THR A 190 ? 0.1415 0.1485 0.1951 -0.0342 -0.0478 -0.0051 190 THR A N 2701 C CA . THR A 190 ? 0.1775 0.1759 0.1991 -0.0352 -0.0519 -0.0038 190 THR A CA 2702 C C . THR A 190 ? 0.1883 0.1871 0.1868 -0.0453 -0.0529 -0.0144 190 THR A C 2703 O O . THR A 190 ? 0.1885 0.2081 0.1829 -0.0369 -0.0404 -0.0020 190 THR A O 2704 C CB . THR A 190 ? 0.2058 0.1972 0.2116 -0.0095 -0.0615 0.0048 190 THR A CB 2705 O OG1 . THR A 190 ? 0.2174 0.2318 0.2375 -0.0184 -0.0647 0.0061 190 THR A OG1 2706 C CG2 . THR A 190 ? 0.2335 0.1984 0.2269 0.0134 -0.0611 0.0101 190 THR A CG2 2714 N N . LYS A 191 ? 0.2150 0.1742 0.1916 -0.0493 -0.0307 -0.0420 191 LYS A N 2715 C CA . LYS A 191 ? 0.2397 0.1655 0.2256 -0.0422 -0.0018 -0.0569 191 LYS A CA 2716 C C . LYS A 191 ? 0.2458 0.1606 0.2177 -0.0309 0.0060 -0.0639 191 LYS A C 2717 O O . LYS A 191 ? 0.2851 0.2054 0.2302 -0.0445 0.0137 -0.0822 191 LYS A O 2718 C CB . LYS A 191 ? 0.2806 0.1700 0.2622 -0.0194 0.0371 -0.0496 191 LYS A CB 2721 N N . GLN A 192 ? 0.2287 0.1276 0.1993 -0.0225 -0.0130 -0.0365 192 GLN A N 2722 C CA . GLN A 192 ? 0.2430 0.1397 0.1951 -0.0063 -0.0170 -0.0192 192 GLN A CA 2723 C C . GLN A 192 ? 0.2072 0.1323 0.1882 -0.0141 -0.0349 -0.0201 192 GLN A C 2724 O O . GLN A 192 ? 0.2067 0.1394 0.2127 0.0020 -0.0103 -0.0044 192 GLN A O 2725 C CB . GLN A 192 ? 0.2860 0.1555 0.2344 0.0339 0.0023 0.0190 192 GLN A CB 2726 C CG . GLN A 192 ? 0.3624 0.2066 0.2780 0.0580 0.0375 0.0378 192 GLN A CG 2727 C CD . GLN A 192 ? 0.4501 0.2700 0.3346 0.0795 0.0940 0.0446 192 GLN A CD 2728 O OE1 . GLN A 192 ? 0.4808 0.2934 0.3701 0.0773 0.1119 0.0311 192 GLN A OE1 2729 N NE2 . GLN A 192 ? 0.4908 0.3028 0.3651 0.0911 0.1037 0.0494 192 GLN A NE2 2738 N N . GLY A 193 ? 0.1844 0.1113 0.1778 -0.0240 -0.0492 -0.0243 193 GLY A N 2739 C CA . GLY A 193 ? 0.1484 0.1043 0.1720 -0.0273 -0.0417 -0.0194 193 GLY A CA 2740 C C . GLY A 193 ? 0.1246 0.1031 0.1571 -0.0052 -0.0423 -0.0049 193 GLY A C 2741 O O . GLY A 193 ? 0.1355 0.1075 0.1513 -0.0033 -0.0483 -0.0073 193 GLY A O 2745 N N . PHE A 194 ? 0.1155 0.1086 0.1417 -0.0034 -0.0492 -0.0080 194 PHE A N 2746 C CA . PHE A 194 ? 0.1143 0.1078 0.1376 -0.0042 -0.0412 -0.0012 194 PHE A CA 2747 C C . PHE A 194 ? 0.0960 0.1170 0.1343 -0.0136 -0.0537 -0.0099 194 PHE A C 2748 O O . PHE A 194 ? 0.0965 0.1201 0.1470 -0.0079 -0.0552 -0.0029 194 PHE A O 2749 C CB . PHE A 194 ? 0.1267 0.1074 0.1337 0.0174 -0.0418 0.0188 194 PHE A CB 2750 C CG . PHE A 194 ? 0.1265 0.1160 0.1644 0.0036 -0.0505 0.0042 194 PHE A CG 2751 C CD1 . PHE A 194 ? 0.1231 0.1275 0.1688 -0.0066 -0.0402 0.0087 194 PHE A CD1 2752 C CD2 . PHE A 194 ? 0.1588 0.1327 0.1982 0.0076 -0.0211 -0.0137 194 PHE A CD2 2753 C CE1 . PHE A 194 ? 0.1380 0.1488 0.1952 -0.0141 -0.0473 0.0155 194 PHE A CE1 2754 C CE2 . PHE A 194 ? 0.1678 0.1569 0.2124 0.0101 -0.0178 -0.0114 194 PHE A CE2 2755 C CZ . PHE A 194 ? 0.1566 0.1614 0.2116 -0.0019 -0.0243 -0.0082 194 PHE A CZ 2765 N N . TRP A 195 ? 0.0997 0.1158 0.1269 -0.0074 -0.0528 -0.0186 195 TRP A N 2766 C CA . TRP A 195 ? 0.0935 0.0975 0.1355 -0.0058 -0.0403 -0.0050 195 TRP A CA 2767 C C . TRP A 195 ? 0.0979 0.1023 0.1335 0.0006 -0.0526 -0.0083 195 TRP A C 2768 O O . TRP A 195 ? 0.1135 0.1103 0.1498 -0.0045 -0.0559 0.0001 195 TRP A O 2769 C CB . TRP A 195 ? 0.0776 0.0942 0.1337 -0.0127 -0.0356 0.0068 195 TRP A CB 2770 C CG . TRP A 195 ? 0.0847 0.1044 0.1267 -0.0072 -0.0354 0.0027 195 TRP A CG 2771 C CD1 . TRP A 195 ? 0.0960 0.1018 0.1289 -0.0020 -0.0437 0.0084 195 TRP A CD1 2772 C CD2 . TRP A 195 ? 0.0790 0.1065 0.1352 -0.0230 -0.0426 0.0048 195 TRP A CD2 2773 N NE1 . TRP A 195 ? 0.1042 0.1021 0.1187 -0.0090 -0.0337 0.0020 195 TRP A NE1 2774 C CE2 . TRP A 195 ? 0.0935 0.1086 0.1291 -0.0114 -0.0454 0.0017 195 TRP A CE2 2775 C CE3 . TRP A 195 ? 0.0772 0.1183 0.1579 -0.0169 -0.0373 0.0127 195 TRP A CE3 2776 C CZ2 . TRP A 195 ? 0.0937 0.1068 0.1306 -0.0188 -0.0307 0.0067 195 TRP A CZ2 2777 C CZ3 . TRP A 195 ? 0.0818 0.1239 0.1638 -0.0230 -0.0307 0.0116 195 TRP A CZ3 2778 C CH2 . TRP A 195 ? 0.0921 0.1214 0.1593 -0.0247 -0.0293 0.0049 195 TRP A CH2 2789 N N . GLU A 196 ? 0.0875 0.1087 0.1524 -0.0084 -0.0638 0.0093 196 GLU A N 2790 C CA . GLU A 196 ? 0.1038 0.1126 0.1491 -0.0197 -0.0497 0.0011 196 GLU A CA 2791 C C . GLU A 196 ? 0.0896 0.1099 0.1442 -0.0140 -0.0603 -0.0057 196 GLU A C 2792 O O . GLU A 196 ? 0.0873 0.1385 0.1430 -0.0056 -0.0512 -0.0026 196 GLU A O 2793 C CB . GLU A 196 ? 0.1293 0.1262 0.1526 -0.0202 -0.0550 -0.0140 196 GLU A CB 2794 C CG . GLU A 196 ? 0.1796 0.1266 0.1591 0.0006 -0.0510 -0.0158 196 GLU A CG 2795 C CD . GLU A 196 ? 0.2889 0.1545 0.1812 0.0411 -0.0305 -0.0031 196 GLU A CD 2796 O OE1 . GLU A 196 ? 0.3395 0.1622 0.2231 0.0740 -0.0344 0.0117 196 GLU A OE1 2797 O OE2 . GLU A 196 ? 0.3187 0.1759 0.1687 0.0580 0.0007 -0.0104 196 GLU A OE2 2804 N N . TRP A 197 ? 0.0745 0.1065 0.1568 -0.0101 -0.0450 0.0049 197 TRP A N 2805 C CA . TRP A 197 ? 0.0777 0.0960 0.1556 -0.0154 -0.0361 0.0096 197 TRP A CA 2806 C C . TRP A 197 ? 0.0880 0.1103 0.1489 -0.0041 -0.0331 0.0145 197 TRP A C 2807 O O . TRP A 197 ? 0.0988 0.1187 0.1564 0.0139 -0.0272 0.0173 197 TRP A O 2808 C CB . TRP A 197 ? 0.0802 0.0927 0.1581 -0.0079 -0.0481 0.0081 197 TRP A CB 2809 C CG . TRP A 197 ? 0.0906 0.0859 0.1582 -0.0044 -0.0356 0.0005 197 TRP A CG 2810 C CD1 . TRP A 197 ? 0.0980 0.0874 0.1490 0.0038 -0.0314 0.0121 197 TRP A CD1 2811 C CD2 . TRP A 197 ? 0.0900 0.0816 0.1565 -0.0023 -0.0499 -0.0053 197 TRP A CD2 2812 N NE1 . TRP A 197 ? 0.0819 0.1004 0.1550 -0.0155 -0.0274 0.0116 197 TRP A NE1 2813 C CE2 . TRP A 197 ? 0.0983 0.0931 0.1463 -0.0027 -0.0476 0.0110 197 TRP A CE2 2814 C CE3 . TRP A 197 ? 0.0949 0.0898 0.1685 0.0210 -0.0557 0.0063 197 TRP A CE3 2815 C CZ2 . TRP A 197 ? 0.1170 0.0842 0.1677 -0.0006 -0.0513 0.0043 197 TRP A CZ2 2816 C CZ3 . TRP A 197 ? 0.1063 0.0952 0.1534 0.0137 -0.0441 0.0031 197 TRP A CZ3 2817 C CH2 . TRP A 197 ? 0.1184 0.0899 0.1594 0.0079 -0.0692 0.0003 197 TRP A CH2 2828 N N . THR A 198 ? 0.0945 0.1023 0.1691 -0.0102 -0.0298 0.0043 198 THR A N 2829 C CA . THR A 198 ? 0.1067 0.1052 0.1658 -0.0025 -0.0338 0.0112 198 THR A CA 2830 C C . THR A 198 ? 0.0826 0.1081 0.1614 0.0019 -0.0177 0.0221 198 THR A C 2831 O O . THR A 198 ? 0.0799 0.1176 0.1604 -0.0032 -0.0056 0.0179 198 THR A O 2832 C CB . THR A 198 ? 0.1374 0.1135 0.1694 -0.0096 -0.0357 0.0107 198 THR A CB 2833 O OG1 . THR A 198 ? 0.1717 0.1363 0.1792 -0.0098 -0.0413 -0.0033 198 THR A OG1 2834 C CG2 . THR A 198 ? 0.1339 0.1057 0.1907 -0.0009 -0.0300 0.0237 198 THR A CG2 2842 N N . SER A 199 ? 0.0956 0.1048 0.1434 -0.0051 -0.0262 0.0202 199 SER A N 2843 C CA . SER A 199 ? 0.0751 0.0953 0.1432 -0.0003 -0.0353 0.0184 199 SER A CA 2844 C C . SER A 199 ? 0.0825 0.0979 0.1637 -0.0050 -0.0357 0.0160 199 SER A C 2845 O O . SER A 199 ? 0.1097 0.1007 0.1762 0.0034 -0.0398 0.0199 199 SER A O 2846 C CB . SER A 199 ? 0.0758 0.1025 0.1487 -0.0027 -0.0422 0.0083 199 SER A CB 2847 O OG . SER A 199 ? 0.0850 0.1106 0.1536 -0.0079 -0.0279 0.0180 199 SER A OG 2853 N N . THR A 200 ? 0.0874 0.0897 0.1649 -0.0040 -0.0307 0.0163 200 THR A N 2854 C CA . THR A 200 ? 0.0855 0.0997 0.1677 -0.0155 -0.0290 0.0156 200 THR A CA 2855 C C . THR A 200 ? 0.0918 0.1098 0.1640 -0.0182 -0.0268 0.0247 200 THR A C 2856 O O . THR A 200 ? 0.1150 0.1261 0.1662 -0.0098 -0.0376 0.0475 200 THR A O 2857 C CB . THR A 200 ? 0.0757 0.1148 0.1854 -0.0031 -0.0275 0.0192 200 THR A CB 2858 O OG1 . THR A 200 ? 0.0874 0.1114 0.1832 -0.0028 0.0051 0.0028 200 THR A OG1 2859 C CG2 . THR A 200 ? 0.1021 0.1179 0.1953 -0.0040 -0.0232 0.0100 200 THR A CG2 2867 N N . GLY A 201 ? 0.0915 0.1024 0.1483 -0.0039 -0.0407 0.0226 201 GLY A N 2868 C CA . GLY A 201 ? 0.0932 0.0990 0.1585 0.0013 -0.0419 0.0178 201 GLY A CA 2869 C C . GLY A 201 ? 0.0755 0.0847 0.1531 0.0200 -0.0372 0.0227 201 GLY A C 2870 O O . GLY A 201 ? 0.0838 0.0985 0.1554 0.0140 -0.0300 0.0204 201 GLY A O 2874 N N . TYR A 202 ? 0.0811 0.0945 0.1538 0.0060 -0.0256 0.0207 202 TYR A N 2875 C CA . TYR A 202 ? 0.0804 0.1073 0.1361 0.0077 -0.0280 0.0006 202 TYR A CA 2876 C C . TYR A 202 ? 0.0900 0.1016 0.1284 0.0034 -0.0266 0.0168 202 TYR A C 2877 O O . TYR A 202 ? 0.1108 0.1004 0.1518 -0.0045 -0.0133 0.0272 202 TYR A O 2878 C CB . TYR A 202 ? 0.0903 0.1125 0.1113 0.0022 -0.0189 0.0110 202 TYR A CB 2879 C CG . TYR A 202 ? 0.1002 0.1271 0.1281 0.0123 -0.0163 0.0105 202 TYR A CG 2880 C CD1 . TYR A 202 ? 0.1088 0.1368 0.1514 0.0204 -0.0064 -0.0038 202 TYR A CD1 2881 C CD2 . TYR A 202 ? 0.0947 0.1372 0.1557 0.0324 -0.0275 0.0170 202 TYR A CD2 2882 C CE1 . TYR A 202 ? 0.1281 0.1490 0.1759 0.0332 0.0030 0.0039 202 TYR A CE1 2883 C CE2 . TYR A 202 ? 0.1103 0.1473 0.1604 0.0368 -0.0410 0.0078 202 TYR A CE2 2884 C CZ . TYR A 202 ? 0.1531 0.1495 0.1717 0.0599 -0.0183 0.0166 202 TYR A CZ 2885 O OH . TYR A 202 ? 0.2230 0.1564 0.2257 0.0940 -0.0021 0.0177 202 TYR A OH 2895 N N . ALA A 203 ? 0.0893 0.1011 0.1239 0.0085 -0.0224 0.0151 203 ALA A N 2896 C CA . ALA A 203 ? 0.1098 0.1150 0.1140 -0.0048 -0.0236 0.0199 203 ALA A CA 2897 C C . ALA A 203 ? 0.0953 0.1196 0.1150 0.0023 -0.0289 0.0300 203 ALA A C 2898 O O . ALA A 203 ? 0.1114 0.1124 0.1287 0.0019 -0.0301 0.0379 203 ALA A O 2899 C CB . ALA A 203 ? 0.1349 0.1195 0.1337 -0.0023 -0.0189 0.0180 203 ALA A CB 2905 N N . VAL A 204 ? 0.1061 0.1441 0.1179 0.0084 -0.0385 0.0227 204 VAL A N 2906 C CA . VAL A 204 ? 0.1104 0.1531 0.1224 0.0075 -0.0266 0.0357 204 VAL A CA 2907 C C . VAL A 204 ? 0.1071 0.1611 0.1195 -0.0001 -0.0246 0.0339 204 VAL A C 2908 O O . VAL A 204 ? 0.1269 0.1759 0.1332 -0.0097 -0.0189 0.0331 204 VAL A O 2909 C CB . VAL A 204 ? 0.1035 0.1634 0.1399 0.0105 -0.0256 0.0086 204 VAL A CB 2910 C CG1 . VAL A 204 ? 0.0974 0.1789 0.1429 0.0101 -0.0366 -0.0230 204 VAL A CG1 2911 C CG2 . VAL A 204 ? 0.1089 0.1601 0.1465 0.0066 -0.0199 0.0085 204 VAL A CG2 2921 N N . GLY A 205 ? 0.1135 0.1659 0.1077 0.0035 -0.0339 0.0338 205 GLY A N 2922 C CA . GLY A 205 ? 0.1375 0.1756 0.1174 0.0108 -0.0211 0.0211 205 GLY A CA 2923 C C . GLY A 205 ? 0.1599 0.1921 0.1228 0.0110 -0.0302 0.0081 205 GLY A C 2924 O O . GLY A 205 ? 0.1573 0.1853 0.1455 0.0219 -0.0365 0.0056 205 GLY A O 2928 N N . SER A 206 ? 0.1892 0.2175 0.1215 -0.0089 -0.0404 -0.0006 206 SER A N 2929 C CA A SER A 206 ? 0.2163 0.2313 0.1422 -0.0109 -0.0173 -0.0004 206 SER A CA 2930 C CA B SER A 206 ? 0.2068 0.2296 0.1384 -0.0128 -0.0212 0.0015 206 SER A CA 2931 C C . SER A 206 ? 0.2132 0.2308 0.1312 -0.0081 -0.0190 0.0149 206 SER A C 2932 O O . SER A 206 ? 0.2530 0.2390 0.1668 -0.0004 0.0047 0.0319 206 SER A O 2933 C CB A SER A 206 ? 0.2441 0.2441 0.1601 -0.0140 -0.0083 -0.0120 206 SER A CB 2934 C CB B SER A 206 ? 0.2165 0.2380 0.1560 -0.0200 -0.0133 -0.0088 206 SER A CB 2935 O OG A SER A 206 ? 0.2589 0.2595 0.1707 -0.0284 -0.0196 -0.0208 206 SER A OG 2936 O OG B SER A 206 ? 0.2223 0.2450 0.1692 -0.0294 -0.0107 -0.0187 206 SER A OG 2947 N N . GLY A 207 ? 0.1936 0.2252 0.1321 -0.0101 -0.0143 0.0197 207 GLY A N 2948 C CA . GLY A 207 ? 0.1829 0.2308 0.1479 -0.0129 -0.0146 0.0252 207 GLY A CA 2949 C C . GLY A 207 ? 0.1991 0.2324 0.1504 -0.0165 -0.0164 0.0348 207 GLY A C 2950 O O . GLY A 207 ? 0.1810 0.2345 0.1692 -0.0198 -0.0052 0.0272 207 GLY A O 2954 N N . THR A 208 ? 0.2189 0.2320 0.1525 -0.0353 -0.0326 0.0341 208 THR A N 2955 C CA A THR A 208 ? 0.2245 0.2373 0.1629 -0.0324 -0.0284 0.0373 208 THR A CA 2956 C CA B THR A 208 ? 0.2192 0.2283 0.1556 -0.0321 -0.0262 0.0322 208 THR A CA 2957 C C . THR A 208 ? 0.1994 0.2219 0.1514 -0.0131 -0.0196 0.0368 208 THR A C 2958 O O . THR A 208 ? 0.1981 0.2360 0.1620 -0.0017 -0.0401 0.0215 208 THR A O 2959 C CB A THR A 208 ? 0.2625 0.2633 0.1911 -0.0411 -0.0208 0.0366 208 THR A CB 2960 C CB B THR A 208 ? 0.2413 0.2348 0.1692 -0.0423 -0.0166 0.0225 208 THR A CB 2961 O OG1 A THR A 208 ? 0.2798 0.2668 0.2227 -0.0230 -0.0378 0.0489 208 THR A OG1 2962 O OG1 B THR A 208 ? 0.2517 0.2400 0.1836 -0.0339 -0.0076 0.0264 208 THR A OG1 2963 C CG2 A THR A 208 ? 0.2780 0.2774 0.1982 -0.0442 -0.0036 0.0418 208 THR A CG2 2964 C CG2 B THR A 208 ? 0.2474 0.2354 0.1703 -0.0557 -0.0161 0.0151 208 THR A CG2 2979 N N . PHE A 209 ? 0.1775 0.1927 0.1562 -0.0085 0.0020 0.0245 209 PHE A N 2980 C CA . PHE A 209 ? 0.1331 0.1684 0.1551 0.0030 0.0156 0.0292 209 PHE A CA 2981 C C . PHE A 209 ? 0.1299 0.1523 0.1663 -0.0050 0.0104 0.0361 209 PHE A C 2982 O O . PHE A 209 ? 0.1768 0.1768 0.1740 -0.0144 0.0434 0.0314 209 PHE A O 2983 C CB . PHE A 209 ? 0.1578 0.1832 0.1737 0.0311 0.0072 0.0226 209 PHE A CB 2984 C CG . PHE A 209 ? 0.1695 0.1877 0.1570 0.0512 0.0004 0.0175 209 PHE A CG 2985 C CD1 . PHE A 209 ? 0.1653 0.1987 0.1475 0.0465 0.0124 0.0150 209 PHE A CD1 2986 C CD2 . PHE A 209 ? 0.1637 0.1978 0.1665 0.0579 -0.0187 0.0268 209 PHE A CD2 2987 C CE1 . PHE A 209 ? 0.1697 0.1989 0.1662 0.0676 0.0020 0.0330 209 PHE A CE1 2988 C CE2 . PHE A 209 ? 0.1786 0.2012 0.1739 0.0667 0.0000 0.0183 209 PHE A CE2 2989 C CZ . PHE A 209 ? 0.1715 0.2009 0.1758 0.0784 0.0064 0.0262 209 PHE A CZ 2999 N N . LYS A 210 ? 0.1095 0.1252 0.1670 0.0076 -0.0150 0.0337 210 LYS A N 3000 C CA . LYS A 210 ? 0.1333 0.1250 0.1716 0.0054 -0.0142 0.0338 210 LYS A CA 3001 C C . LYS A 210 ? 0.1157 0.1251 0.1595 0.0012 -0.0142 0.0301 210 LYS A C 3002 O O . LYS A 210 ? 0.1266 0.1203 0.1606 0.0083 -0.0076 0.0276 210 LYS A O 3003 C CB . LYS A 210 ? 0.1635 0.1297 0.1997 0.0143 -0.0235 0.0198 210 LYS A CB 3004 C CG . LYS A 210 ? 0.1958 0.1541 0.2073 0.0294 -0.0442 0.0171 210 LYS A CG 3005 C CD . LYS A 210 ? 0.1958 0.1558 0.2098 0.0153 -0.0407 0.0056 210 LYS A CD 3006 C CE . LYS A 210 ? 0.1796 0.1448 0.2008 0.0164 -0.0638 0.0125 210 LYS A CE 3007 N NZ . LYS A 210 ? 0.1710 0.1480 0.2229 0.0265 -0.0512 0.0145 210 LYS A NZ 3021 N N . SER A 211 ? 0.1266 0.1436 0.1728 -0.0074 -0.0285 0.0430 211 SER A N 3022 C CA . SER A 211 ? 0.1600 0.1466 0.1887 -0.0179 -0.0403 0.0297 211 SER A CA 3023 C C . SER A 211 ? 0.1840 0.1236 0.2094 -0.0151 -0.0582 0.0257 211 SER A C 3024 O O . SER A 211 ? 0.2531 0.1190 0.2390 -0.0030 -0.0261 0.0391 211 SER A O 3025 C CB . SER A 211 ? 0.2037 0.1778 0.2248 -0.0179 -0.0185 0.0227 211 SER A CB 3026 O OG . SER A 211 ? 0.2400 0.2215 0.2560 -0.0329 -0.0014 0.0123 211 SER A OG 3032 N N . THR A 212 ? 0.1601 0.1141 0.1905 -0.0187 -0.0621 0.0230 212 THR A N 3033 C CA . THR A 212 ? 0.1568 0.1217 0.1816 -0.0110 -0.0639 0.0231 212 THR A CA 3034 C C . THR A 212 ? 0.1605 0.1150 0.1815 -0.0008 -0.0422 0.0415 212 THR A C 3035 O O . THR A 212 ? 0.1819 0.1090 0.1960 0.0148 -0.0520 0.0235 212 THR A O 3036 C CB . THR A 212 ? 0.1677 0.1525 0.1997 0.0138 -0.0738 0.0035 212 THR A CB 3037 O OG1 . THR A 212 ? 0.1983 0.1857 0.2192 0.0394 -0.0588 -0.0040 212 THR A OG1 3038 C CG2 . THR A 212 ? 0.1450 0.1622 0.2270 0.0196 -0.0796 -0.0008 212 THR A CG2 3046 N N . SER A 213 ? 0.1490 0.1072 0.1725 -0.0190 -0.0534 0.0398 213 SER A N 3047 C CA . SER A 213 ? 0.1391 0.1194 0.1876 0.0002 -0.0542 0.0286 213 SER A CA 3048 C C . SER A 213 ? 0.1292 0.1210 0.1993 0.0161 -0.0325 0.0138 213 SER A C 3049 O O . SER A 213 ? 0.1626 0.1345 0.2468 0.0425 0.0113 0.0259 213 SER A O 3050 C CB . SER A 213 ? 0.1494 0.1407 0.2104 -0.0287 -0.0537 0.0162 213 SER A CB 3051 O OG . SER A 213 ? 0.1693 0.1701 0.2652 -0.0422 -0.0210 0.0135 213 SER A OG 3057 N N . ILE A 214 ? 0.0920 0.1204 0.1805 0.0076 -0.0294 0.0017 214 ILE A N 3058 C CA . ILE A 214 ? 0.0794 0.1354 0.1832 0.0030 -0.0363 0.0207 214 ILE A CA 3059 C C . ILE A 214 ? 0.0844 0.1139 0.1785 -0.0130 -0.0450 0.0182 214 ILE A C 3060 O O . ILE A 214 ? 0.1075 0.1143 0.1831 0.0061 -0.0341 0.0054 214 ILE A O 3061 C CB . ILE A 214 ? 0.0869 0.1597 0.1911 0.0035 -0.0299 0.0255 214 ILE A CB 3062 C CG1 . ILE A 214 ? 0.0954 0.1782 0.2001 -0.0164 -0.0549 0.0287 214 ILE A CG1 3063 C CG2 . ILE A 214 ? 0.0835 0.1745 0.1907 -0.0102 -0.0422 0.0317 214 ILE A CG2 3064 C CD1 . ILE A 214 ? 0.1205 0.2016 0.2045 -0.0192 -0.0548 0.0285 214 ILE A CD1 3076 N N . ASP A 215 ? 0.0993 0.1084 0.1676 -0.0042 -0.0457 0.0231 215 ASP A N 3077 C CA A ASP A 215 ? 0.1004 0.1077 0.1755 -0.0134 -0.0492 0.0128 215 ASP A CA 3078 C CA B ASP A 215 ? 0.1077 0.1148 0.1841 -0.0026 -0.0370 0.0235 215 ASP A CA 3079 C C . ASP A 215 ? 0.0894 0.1104 0.2060 0.0037 -0.0384 0.0218 215 ASP A C 3080 O O . ASP A 215 ? 0.0888 0.1314 0.2689 0.0134 -0.0381 0.0438 215 ASP A O 3081 C CB A ASP A 215 ? 0.1299 0.1214 0.1719 -0.0245 -0.0486 -0.0124 215 ASP A CB 3082 C CB B ASP A 215 ? 0.1439 0.1355 0.1912 0.0016 -0.0185 0.0226 215 ASP A CB 3083 C CG A ASP A 215 ? 0.1471 0.1494 0.1789 -0.0240 -0.0604 -0.0337 215 ASP A CG 3084 C CG B ASP A 215 ? 0.1751 0.1632 0.2036 0.0146 -0.0065 0.0260 215 ASP A CG 3085 O OD1 A ASP A 215 ? 0.1883 0.1364 0.1895 -0.0187 -0.0298 -0.0144 215 ASP A OD1 3086 O OD1 B ASP A 215 ? 0.1832 0.1742 0.2028 0.0118 -0.0126 0.0292 215 ASP A OD1 3087 O OD2 A ASP A 215 ? 0.1924 0.2121 0.2203 0.0005 -0.0334 -0.0170 215 ASP A OD2 3088 O OD2 B ASP A 215 ? 0.2090 0.1857 0.2301 0.0252 0.0156 0.0281 215 ASP A OD2 3097 N N . GLY A 216 ? 0.0801 0.1032 0.1624 0.0007 -0.0342 0.0049 216 GLY A N 3098 C CA . GLY A 216 ? 0.0897 0.1058 0.1459 -0.0009 -0.0525 0.0072 216 GLY A CA 3099 C C . GLY A 216 ? 0.0863 0.1089 0.1588 -0.0006 -0.0443 0.0132 216 GLY A C 3100 O O . GLY A 216 ? 0.0819 0.1284 0.1771 0.0074 -0.0425 0.0308 216 GLY A O 3104 N N . ILE A 217 ? 0.0882 0.0992 0.1557 -0.0100 -0.0642 0.0133 217 ILE A N 3105 C CA . ILE A 217 ? 0.0897 0.0956 0.1517 -0.0111 -0.0575 0.0115 217 ILE A CA 3106 C C . ILE A 217 ? 0.0894 0.1081 0.1572 -0.0098 -0.0526 0.0099 217 ILE A C 3107 O O . ILE A 217 ? 0.0955 0.1175 0.1670 -0.0080 -0.0680 -0.0106 217 ILE A O 3108 C CB . ILE A 217 ? 0.1078 0.1144 0.1484 -0.0237 -0.0671 0.0112 217 ILE A CB 3109 C CG1 . ILE A 217 ? 0.1202 0.1452 0.1466 -0.0275 -0.0555 0.0019 217 ILE A CG1 3110 C CG2 . ILE A 217 ? 0.1224 0.1243 0.1597 0.0031 -0.0679 0.0151 217 ILE A CG2 3111 C CD1 . ILE A 217 ? 0.1214 0.1707 0.1644 -0.0186 -0.0527 0.0112 217 ILE A CD1 3123 N N . ALA A 218 ? 0.0815 0.1066 0.1572 -0.0076 -0.0604 0.0062 218 ALA A N 3124 C CA . ALA A 218 ? 0.0853 0.1107 0.1571 -0.0106 -0.0472 0.0021 218 ALA A CA 3125 C C . ALA A 218 ? 0.0809 0.1031 0.1553 -0.0062 -0.0599 0.0107 218 ALA A C 3126 O O . ALA A 218 ? 0.0901 0.1197 0.1654 -0.0224 -0.0623 0.0380 218 ALA A O 3127 C CB . ALA A 218 ? 0.0857 0.1205 0.1790 -0.0126 -0.0301 0.0080 218 ALA A CB 3133 N N . ASP A 219 ? 0.0932 0.1044 0.1376 -0.0070 -0.0492 0.0035 219 ASP A N 3134 C CA . ASP A 219 ? 0.0985 0.1071 0.1160 -0.0049 -0.0569 0.0060 219 ASP A CA 3135 C C . ASP A 219 ? 0.0855 0.1061 0.1289 -0.0109 -0.0597 0.0103 219 ASP A C 3136 O O . ASP A 219 ? 0.0873 0.1115 0.1325 -0.0043 -0.0558 0.0164 219 ASP A O 3137 C CB . ASP A 219 ? 0.0973 0.1267 0.1250 0.0067 -0.0329 -0.0120 219 ASP A CB 3138 C CG . ASP A 219 ? 0.1080 0.1451 0.1321 0.0049 -0.0348 -0.0330 219 ASP A CG 3139 O OD1 . ASP A 219 ? 0.1253 0.1710 0.1436 -0.0298 -0.0322 -0.0100 219 ASP A OD1 3140 O OD2 . ASP A 219 ? 0.1461 0.1946 0.1761 0.0140 -0.0319 -0.0441 219 ASP A OD2 3145 N N . THR A 220 ? 0.0898 0.1065 0.1328 -0.0023 -0.0623 0.0136 220 THR A N 3146 C CA . THR A 220 ? 0.0847 0.1055 0.1145 -0.0025 -0.0519 0.0039 220 THR A CA 3147 C C . THR A 220 ? 0.0782 0.1074 0.1153 -0.0086 -0.0491 0.0124 220 THR A C 3148 O O . THR A 220 ? 0.1080 0.1003 0.1273 -0.0176 -0.0493 0.0053 220 THR A O 3149 C CB . THR A 220 ? 0.0771 0.0953 0.1228 -0.0105 -0.0488 0.0058 220 THR A CB 3150 O OG1 . THR A 220 ? 0.0815 0.1073 0.1136 0.0069 -0.0426 0.0057 220 THR A OG1 3151 C CG2 . THR A 220 ? 0.1055 0.1027 0.1445 0.0011 -0.0259 0.0147 220 THR A CG2 3159 N N . GLY A 221 ? 0.0798 0.1075 0.1284 -0.0016 -0.0354 0.0213 221 GLY A N 3160 C CA . GLY A 221 ? 0.0710 0.1182 0.1214 0.0044 -0.0316 0.0164 221 GLY A CA 3161 C C . GLY A 221 ? 0.0593 0.1358 0.1170 -0.0024 -0.0267 0.0262 221 GLY A C 3162 O O . GLY A 221 ? 0.0779 0.1688 0.1566 0.0047 0.0000 0.0345 221 GLY A O 3166 N N . THR A 222 ? 0.0709 0.1294 0.1058 0.0025 -0.0439 0.0207 222 THR A N 3167 C CA . THR A 222 ? 0.0781 0.1215 0.1210 -0.0014 -0.0534 0.0126 222 THR A CA 3168 C C . THR A 222 ? 0.0733 0.1106 0.1218 -0.0002 -0.0493 0.0200 222 THR A C 3169 O O . THR A 222 ? 0.0880 0.1318 0.1333 0.0013 -0.0361 0.0059 222 THR A O 3170 C CB . THR A 222 ? 0.1058 0.1245 0.1288 -0.0021 -0.0582 0.0054 222 THR A CB 3171 O OG1 . THR A 222 ? 0.1344 0.1281 0.1679 0.0023 -0.0732 -0.0171 222 THR A OG1 3172 C CG2 . THR A 222 ? 0.1160 0.1237 0.1406 -0.0045 -0.0503 0.0179 222 THR A CG2 3180 N N . THR A 223 ? 0.0765 0.1041 0.1283 0.0038 -0.0391 0.0055 223 THR A N 3181 C CA . THR A 223 ? 0.0774 0.1181 0.1163 0.0002 -0.0365 0.0130 223 THR A CA 3182 C C . THR A 223 ? 0.0673 0.1170 0.1124 0.0041 -0.0226 0.0011 223 THR A C 3183 O O . THR A 223 ? 0.0787 0.1248 0.1072 0.0187 -0.0201 0.0060 223 THR A O 3184 C CB . THR A 223 ? 0.0922 0.1304 0.1234 -0.0121 -0.0340 0.0119 223 THR A CB 3185 O OG1 . THR A 223 ? 0.1004 0.1193 0.1584 -0.0181 -0.0177 0.0059 223 THR A OG1 3186 C CG2 . THR A 223 ? 0.1018 0.1455 0.1188 -0.0294 -0.0214 0.0112 223 THR A CG2 3194 N N . LEU A 224 ? 0.0809 0.1039 0.1040 -0.0039 -0.0436 -0.0011 224 LEU A N 3195 C CA . LEU A 224 ? 0.0665 0.1076 0.1098 0.0003 -0.0414 0.0044 224 LEU A CA 3196 C C . LEU A 224 ? 0.0574 0.0951 0.1180 0.0036 -0.0410 -0.0064 224 LEU A C 3197 O O . LEU A 224 ? 0.0667 0.1262 0.1296 -0.0147 -0.0373 0.0130 224 LEU A O 3198 C CB . LEU A 224 ? 0.0725 0.1349 0.1361 -0.0027 -0.0310 0.0139 224 LEU A CB 3199 C CG . LEU A 224 ? 0.0745 0.1453 0.1403 -0.0024 -0.0368 0.0264 224 LEU A CG 3200 C CD1 . LEU A 224 ? 0.1006 0.1595 0.1952 0.0039 -0.0497 0.0413 224 LEU A CD1 3201 C CD2 . LEU A 224 ? 0.1044 0.1550 0.1294 -0.0148 -0.0424 0.0245 224 LEU A CD2 3213 N N . LEU A 225 ? 0.0769 0.0857 0.1115 -0.0027 -0.0440 0.0012 225 LEU A N 3214 C CA . LEU A 225 ? 0.0763 0.0950 0.0992 0.0040 -0.0455 -0.0033 225 LEU A CA 3215 C C . LEU A 225 ? 0.0719 0.0887 0.1198 0.0050 -0.0521 -0.0061 225 LEU A C 3216 O O . LEU A 225 ? 0.0878 0.0926 0.1238 0.0146 -0.0440 -0.0134 225 LEU A O 3217 C CB . LEU A 225 ? 0.0676 0.1018 0.1009 0.0006 -0.0340 -0.0023 225 LEU A CB 3218 C CG . LEU A 225 ? 0.0645 0.1048 0.1225 -0.0061 -0.0175 0.0060 225 LEU A CG 3219 C CD1 . LEU A 225 ? 0.0624 0.1152 0.1329 -0.0061 -0.0353 0.0003 225 LEU A CD1 3220 C CD2 . LEU A 225 ? 0.0716 0.1256 0.1256 -0.0106 -0.0295 0.0018 225 LEU A CD2 3232 N N . TYR A 226 ? 0.0605 0.0875 0.1215 0.0137 -0.0421 0.0013 226 TYR A N 3233 C CA . TYR A 226 ? 0.0556 0.0931 0.1152 0.0039 -0.0412 -0.0084 226 TYR A CA 3234 C C . TYR A 226 ? 0.0444 0.0941 0.1161 0.0011 -0.0321 0.0007 226 TYR A C 3235 O O . TYR A 226 ? 0.0624 0.0992 0.1321 -0.0025 -0.0440 0.0026 226 TYR A O 3236 C CB . TYR A 226 ? 0.0813 0.1047 0.1149 -0.0055 -0.0327 -0.0183 226 TYR A CB 3237 C CG . TYR A 226 ? 0.0734 0.1071 0.1107 -0.0072 -0.0441 -0.0132 226 TYR A CG 3238 C CD1 . TYR A 226 ? 0.0752 0.1191 0.1254 -0.0016 -0.0259 0.0149 226 TYR A CD1 3239 C CD2 . TYR A 226 ? 0.0961 0.1046 0.1239 0.0044 -0.0276 -0.0024 226 TYR A CD2 3240 C CE1 . TYR A 226 ? 0.0843 0.1200 0.1266 0.0015 -0.0272 0.0225 226 TYR A CE1 3241 C CE2 . TYR A 226 ? 0.1028 0.1199 0.1596 0.0093 -0.0297 0.0050 226 TYR A CE2 3242 C CZ . TYR A 226 ? 0.0905 0.1196 0.1581 0.0037 -0.0250 0.0225 226 TYR A CZ 3243 O OH . TYR A 226 ? 0.1075 0.1288 0.1852 0.0043 -0.0136 0.0405 226 TYR A OH 3253 N N . LEU A 227 ? 0.0600 0.0946 0.1203 0.0054 -0.0433 0.0095 227 LEU A N 3254 C CA . LEU A 227 ? 0.0705 0.1001 0.1351 -0.0004 -0.0384 -0.0033 227 LEU A CA 3255 C C . LEU A 227 ? 0.0679 0.0966 0.1224 0.0074 -0.0322 0.0086 227 LEU A C 3256 O O . LEU A 227 ? 0.0848 0.0995 0.1395 0.0026 -0.0321 -0.0031 227 LEU A O 3257 C CB . LEU A 227 ? 0.0900 0.1002 0.1376 0.0092 -0.0410 -0.0024 227 LEU A CB 3258 C CG . LEU A 227 ? 0.0978 0.1058 0.1429 0.0182 -0.0237 -0.0194 227 LEU A CG 3259 C CD1 . LEU A 227 ? 0.1537 0.1162 0.1403 0.0376 0.0067 -0.0183 227 LEU A CD1 3260 C CD2 . LEU A 227 ? 0.0902 0.1247 0.1955 0.0215 -0.0190 -0.0120 227 LEU A CD2 3272 N N . PRO A 228 ? 0.0713 0.1078 0.1249 -0.0054 -0.0252 0.0072 228 PRO A N 3273 C CA . PRO A 228 ? 0.0778 0.1054 0.1413 -0.0099 -0.0332 -0.0023 228 PRO A CA 3274 C C . PRO A 228 ? 0.0783 0.0740 0.1408 0.0036 -0.0370 0.0014 228 PRO A C 3275 O O . PRO A 228 ? 0.0979 0.0692 0.1376 0.0047 -0.0334 0.0049 228 PRO A O 3276 C CB . PRO A 228 ? 0.0704 0.1078 0.1520 -0.0018 -0.0225 -0.0096 228 PRO A CB 3277 C CG . PRO A 228 ? 0.0824 0.1170 0.1582 -0.0046 -0.0226 -0.0153 228 PRO A CG 3278 C CD . PRO A 228 ? 0.0746 0.1163 0.1482 -0.0017 -0.0296 -0.0049 228 PRO A CD 3286 N N . ALA A 229 ? 0.0747 0.0850 0.1264 0.0150 -0.0253 -0.0104 229 ALA A N 3287 C CA . ALA A 229 ? 0.0860 0.0831 0.1344 0.0231 -0.0375 0.0037 229 ALA A CA 3288 C C . ALA A 229 ? 0.1026 0.0771 0.1400 0.0111 -0.0223 -0.0057 229 ALA A C 3289 O O . ALA A 229 ? 0.1159 0.0810 0.1231 -0.0040 -0.0303 -0.0176 229 ALA A O 3290 C CB . ALA A 229 ? 0.1019 0.1097 0.1428 0.0442 -0.0264 -0.0104 229 ALA A CB 3296 N N . THR A 230 ? 0.1032 0.0861 0.1334 0.0103 -0.0421 -0.0096 230 THR A N 3297 C CA . THR A 230 ? 0.1138 0.0763 0.1342 0.0010 -0.0354 0.0089 230 THR A CA 3298 C C . THR A 230 ? 0.0977 0.0875 0.1207 -0.0101 -0.0334 0.0054 230 THR A C 3299 O O . THR A 230 ? 0.1102 0.0972 0.1261 -0.0006 -0.0140 0.0055 230 THR A O 3300 C CB . THR A 230 ? 0.1239 0.0909 0.1675 0.0083 -0.0292 0.0096 230 THR A CB 3301 O OG1 . THR A 230 ? 0.1256 0.1236 0.2317 0.0197 -0.0482 -0.0190 230 THR A OG1 3302 C CG2 . THR A 230 ? 0.1280 0.0838 0.1850 -0.0032 0.0087 0.0055 230 THR A CG2 3310 N N . VAL A 231 ? 0.0987 0.0930 0.1084 0.0195 -0.0202 -0.0032 231 VAL A N 3311 C CA . VAL A 231 ? 0.0870 0.1002 0.1192 0.0108 -0.0153 -0.0078 231 VAL A CA 3312 C C . VAL A 231 ? 0.0846 0.0999 0.1111 0.0124 -0.0267 -0.0011 231 VAL A C 3313 O O . VAL A 231 ? 0.1064 0.1030 0.1142 -0.0007 -0.0335 0.0010 231 VAL A O 3314 C CB . VAL A 231 ? 0.0885 0.1092 0.1380 0.0137 -0.0203 -0.0012 231 VAL A CB 3315 C CG1 . VAL A 231 ? 0.1034 0.0958 0.1561 0.0182 -0.0194 -0.0038 231 VAL A CG1 3316 C CG2 . VAL A 231 ? 0.0977 0.1243 0.1617 0.0122 -0.0217 0.0048 231 VAL A CG2 3326 N N . VAL A 232 ? 0.0710 0.1036 0.1048 0.0079 -0.0210 -0.0085 232 VAL A N 3327 C CA . VAL A 232 ? 0.0758 0.0984 0.1123 0.0020 -0.0253 0.0045 232 VAL A CA 3328 C C . VAL A 232 ? 0.0810 0.0908 0.1197 -0.0027 -0.0489 0.0033 232 VAL A C 3329 O O . VAL A 232 ? 0.0891 0.0993 0.1022 -0.0059 -0.0436 -0.0004 232 VAL A O 3330 C CB . VAL A 232 ? 0.0981 0.1156 0.1100 -0.0200 -0.0537 0.0162 232 VAL A CB 3331 C CG1 . VAL A 232 ? 0.1385 0.1262 0.1398 -0.0276 -0.0390 0.0088 232 VAL A CG1 3332 C CG2 . VAL A 232 ? 0.1268 0.1247 0.1171 -0.0308 -0.0336 0.0111 232 VAL A CG2 3342 N N . SER A 233 ? 0.0719 0.0872 0.1337 0.0160 -0.0451 -0.0080 233 SER A N 3343 C CA . SER A 233 ? 0.0940 0.0851 0.1226 0.0064 -0.0362 -0.0072 233 SER A CA 3344 C C . SER A 233 ? 0.1006 0.0854 0.1202 0.0045 -0.0414 -0.0044 233 SER A C 3345 O O . SER A 233 ? 0.1032 0.0947 0.1229 0.0002 -0.0541 -0.0046 233 SER A O 3346 C CB . SER A 233 ? 0.1049 0.0837 0.1321 0.0213 -0.0310 0.0080 233 SER A CB 3347 O OG . SER A 233 ? 0.1057 0.0968 0.1420 0.0158 -0.0494 0.0096 233 SER A OG 3353 N N . ALA A 234 ? 0.0882 0.0851 0.1208 0.0032 -0.0431 0.0092 234 ALA A N 3354 C CA . ALA A 234 ? 0.1128 0.0893 0.1313 0.0064 -0.0228 -0.0080 234 ALA A CA 3355 C C . ALA A 234 ? 0.1149 0.0809 0.1192 -0.0016 -0.0228 -0.0027 234 ALA A C 3356 O O . ALA A 234 ? 0.1491 0.0931 0.1291 -0.0028 -0.0303 -0.0076 234 ALA A O 3357 C CB . ALA A 234 ? 0.1181 0.0938 0.1331 0.0168 -0.0348 -0.0111 234 ALA A CB 3363 N N . TYR A 235 ? 0.1009 0.0848 0.1052 -0.0081 -0.0168 0.0078 235 TYR A N 3364 C CA . TYR A 235 ? 0.0935 0.0959 0.0971 -0.0005 -0.0251 -0.0028 235 TYR A CA 3365 C C . TYR A 235 ? 0.1011 0.0978 0.1007 0.0086 -0.0152 0.0031 235 TYR A C 3366 O O . TYR A 235 ? 0.0938 0.0976 0.0963 0.0063 -0.0250 -0.0040 235 TYR A O 3367 C CB . TYR A 235 ? 0.0760 0.0913 0.1001 -0.0001 -0.0196 0.0017 235 TYR A CB 3368 C CG . TYR A 235 ? 0.0633 0.0840 0.1055 -0.0019 -0.0265 -0.0053 235 TYR A CG 3369 C CD1 . TYR A 235 ? 0.0828 0.0782 0.1153 0.0110 -0.0206 0.0095 235 TYR A CD1 3370 C CD2 . TYR A 235 ? 0.0713 0.0919 0.1258 -0.0016 -0.0243 -0.0148 235 TYR A CD2 3371 C CE1 . TYR A 235 ? 0.0821 0.0862 0.1147 0.0161 -0.0349 -0.0009 235 TYR A CE1 3372 C CE2 . TYR A 235 ? 0.0748 0.0921 0.1254 -0.0065 -0.0205 -0.0120 235 TYR A CE2 3373 C CZ . TYR A 235 ? 0.0836 0.0815 0.1126 0.0034 -0.0278 0.0026 235 TYR A CZ 3374 O OH . TYR A 235 ? 0.0854 0.0939 0.1209 0.0004 -0.0178 -0.0173 235 TYR A OH 3384 N N . TRP A 236 ? 0.0841 0.0948 0.0999 -0.0031 -0.0170 -0.0020 236 TRP A N 3385 C CA . TRP A 236 ? 0.0843 0.0949 0.1211 0.0137 -0.0406 -0.0024 236 TRP A CA 3386 C C . TRP A 236 ? 0.0906 0.0875 0.1200 0.0018 -0.0328 -0.0061 236 TRP A C 3387 O O . TRP A 236 ? 0.0862 0.1010 0.1414 0.0051 -0.0492 -0.0056 236 TRP A O 3388 C CB . TRP A 236 ? 0.0922 0.0938 0.0999 0.0051 -0.0258 0.0039 236 TRP A CB 3389 C CG . TRP A 236 ? 0.0748 0.0907 0.0946 -0.0042 -0.0235 -0.0059 236 TRP A CG 3390 C CD1 . TRP A 236 ? 0.0821 0.0988 0.1050 -0.0001 -0.0281 0.0072 236 TRP A CD1 3391 C CD2 . TRP A 236 ? 0.0646 0.0981 0.1008 0.0011 -0.0294 0.0094 236 TRP A CD2 3392 N NE1 . TRP A 236 ? 0.0872 0.1082 0.0947 -0.0064 -0.0354 0.0037 236 TRP A NE1 3393 C CE2 . TRP A 236 ? 0.0742 0.0961 0.0995 -0.0004 -0.0504 0.0051 236 TRP A CE2 3394 C CE3 . TRP A 236 ? 0.0631 0.1055 0.1131 0.0042 -0.0324 -0.0030 236 TRP A CE3 3395 C CZ2 . TRP A 236 ? 0.0665 0.0924 0.1267 -0.0033 -0.0437 0.0052 236 TRP A CZ2 3396 C CZ3 . TRP A 236 ? 0.0822 0.1041 0.1235 -0.0024 -0.0306 0.0000 236 TRP A CZ3 3397 C CH2 . TRP A 236 ? 0.0832 0.0947 0.1349 0.0134 -0.0145 0.0097 236 TRP A CH2 3408 N N . ALA A 237 ? 0.0980 0.0902 0.1183 0.0061 -0.0380 0.0030 237 ALA A N 3409 C CA . ALA A 237 ? 0.1126 0.0928 0.1066 -0.0054 -0.0371 -0.0018 237 ALA A CA 3410 C C . ALA A 237 ? 0.1262 0.1014 0.1117 0.0180 -0.0340 0.0070 237 ALA A C 3411 O O . ALA A 237 ? 0.1584 0.1170 0.1009 0.0339 -0.0540 0.0124 237 ALA A O 3412 C CB . ALA A 237 ? 0.1115 0.1072 0.1249 -0.0147 -0.0495 0.0111 237 ALA A CB 3418 N N . GLN A 238 ? 0.1073 0.1056 0.1057 0.0038 -0.0478 -0.0022 238 GLN A N 3419 C CA . GLN A 238 ? 0.1217 0.1076 0.1209 0.0061 -0.0137 -0.0056 238 GLN A CA 3420 C C . GLN A 238 ? 0.1517 0.1222 0.1478 -0.0056 0.0274 -0.0239 238 GLN A C 3421 O O . GLN A 238 ? 0.2098 0.1575 0.1838 -0.0405 0.0465 -0.0572 238 GLN A O 3422 C CB . GLN A 238 ? 0.1335 0.1122 0.1380 0.0051 -0.0103 -0.0084 238 GLN A CB 3423 C CG . GLN A 238 ? 0.1197 0.1125 0.1286 0.0111 0.0022 -0.0150 238 GLN A CG 3424 C CD . GLN A 238 ? 0.1452 0.1263 0.1140 0.0108 -0.0102 -0.0187 238 GLN A CD 3425 O OE1 . GLN A 238 ? 0.2085 0.1476 0.1110 -0.0084 -0.0129 -0.0141 238 GLN A OE1 3426 N NE2 . GLN A 238 ? 0.1427 0.1302 0.1196 0.0309 -0.0126 0.0060 238 GLN A NE2 3435 N N . VAL A 239 ? 0.1186 0.1080 0.1175 -0.0145 -0.0381 -0.0056 239 VAL A N 3436 C CA . VAL A 239 ? 0.1273 0.1126 0.1147 -0.0051 -0.0457 -0.0043 239 VAL A CA 3437 C C . VAL A 239 ? 0.1210 0.1387 0.1192 -0.0193 -0.0474 -0.0153 239 VAL A C 3438 O O . VAL A 239 ? 0.1397 0.1321 0.1288 -0.0100 -0.0530 -0.0031 239 VAL A O 3439 C CB . VAL A 239 ? 0.1216 0.1188 0.1378 0.0102 -0.0292 -0.0020 239 VAL A CB 3440 C CG1 . VAL A 239 ? 0.1482 0.1252 0.1425 0.0043 -0.0012 -0.0118 239 VAL A CG1 3441 C CG2 . VAL A 239 ? 0.1283 0.1183 0.1498 0.0243 -0.0201 -0.0148 239 VAL A CG2 3451 N N . SER A 240 ? 0.1566 0.1687 0.1263 -0.0180 -0.0551 0.0083 240 SER A N 3452 C CA A SER A 240 ? 0.1765 0.1834 0.1523 -0.0154 -0.0583 0.0110 240 SER A CA 3453 C CA B SER A 240 ? 0.1795 0.1911 0.1478 -0.0193 -0.0692 0.0130 240 SER A CA 3454 C C . SER A 240 ? 0.1642 0.1699 0.1419 -0.0177 -0.0695 0.0012 240 SER A C 3455 O O . SER A 240 ? 0.1589 0.1575 0.1785 -0.0128 -0.0516 -0.0104 240 SER A O 3456 C CB A SER A 240 ? 0.2064 0.2092 0.1877 -0.0035 -0.0359 0.0185 240 SER A CB 3457 C CB B SER A 240 ? 0.2188 0.2326 0.1759 -0.0110 -0.0546 0.0228 240 SER A CB 3458 O OG A SER A 240 ? 0.2307 0.2245 0.2098 -0.0004 -0.0157 0.0222 240 SER A OG 3459 O OG B SER A 240 ? 0.2460 0.2589 0.1814 -0.0164 -0.0484 0.0316 240 SER A OG 3470 N N . GLY A 241 ? 0.1614 0.1737 0.1587 0.0035 -0.0700 0.0216 241 GLY A N 3471 C CA . GLY A 241 ? 0.1603 0.1622 0.1739 0.0095 -0.0530 0.0083 241 GLY A CA 3472 C C . GLY A 241 ? 0.1359 0.1500 0.1666 0.0078 -0.0639 0.0105 241 GLY A C 3473 O O . GLY A 241 ? 0.1443 0.1840 0.1958 0.0132 -0.0534 0.0116 241 GLY A O 3477 N N . ALA A 242 ? 0.1194 0.1234 0.1349 0.0112 -0.0480 0.0113 242 ALA A N 3478 C CA . ALA A 242 ? 0.1192 0.1225 0.1280 0.0151 -0.0444 0.0057 242 ALA A CA 3479 C C . ALA A 242 ? 0.1524 0.1176 0.1440 0.0146 -0.0438 0.0077 242 ALA A C 3480 O O . ALA A 242 ? 0.2204 0.1109 0.1780 0.0211 -0.0354 -0.0018 242 ALA A O 3481 C CB . ALA A 242 ? 0.1201 0.1280 0.1133 0.0162 -0.0533 0.0026 242 ALA A CB 3487 N N . LYS A 243 ? 0.1407 0.1173 0.1459 0.0231 -0.0687 -0.0141 243 LYS A N 3488 C CA . LYS A 243 ? 0.1689 0.1353 0.1835 0.0423 -0.0438 -0.0138 243 LYS A CA 3489 C C . LYS A 243 ? 0.1388 0.1139 0.1706 0.0348 -0.0490 -0.0303 243 LYS A C 3490 O O . LYS A 243 ? 0.1413 0.1053 0.1555 0.0338 -0.0502 -0.0229 243 LYS A O 3491 C CB . LYS A 243 ? 0.2022 0.1792 0.2253 0.0494 -0.0457 -0.0083 243 LYS A CB 3492 C CG . LYS A 243 ? 0.2045 0.2170 0.2667 0.0318 -0.0655 -0.0129 243 LYS A CG 3493 C CD . LYS A 243 ? 0.2372 0.2520 0.3154 0.0154 -0.0496 -0.0161 243 LYS A CD 3494 C CE . LYS A 243 ? 0.2697 0.2725 0.3504 0.0092 -0.0173 -0.0105 243 LYS A CE 3503 N N . SER A 244 ? 0.1385 0.1218 0.1723 0.0236 -0.0499 -0.0401 244 SER A N 3504 C CA . SER A 244 ? 0.1321 0.1517 0.1835 0.0286 -0.0498 -0.0488 244 SER A CA 3505 C C . SER A 244 ? 0.1369 0.1674 0.2138 0.0382 -0.0323 -0.0185 244 SER A C 3506 O O . SER A 244 ? 0.1576 0.1882 0.2477 0.0735 -0.0019 0.0120 244 SER A O 3507 C CB . SER A 244 ? 0.1381 0.1996 0.1999 0.0223 -0.0520 -0.0560 244 SER A CB 3508 O OG . SER A 244 ? 0.1675 0.2518 0.2213 0.0049 -0.0368 -0.0679 244 SER A OG 3514 N N . SER A 245 ? 0.1208 0.1870 0.2306 0.0384 -0.0237 -0.0262 245 SER A N 3515 C CA . SER A 245 ? 0.1526 0.2224 0.2445 0.0353 -0.0141 -0.0154 245 SER A CA 3516 C C . SER A 245 ? 0.1714 0.2443 0.2668 0.0311 0.0044 -0.0424 245 SER A C 3517 O O . SER A 245 ? 0.1441 0.2537 0.2360 0.0276 -0.0074 -0.0581 245 SER A O 3518 C CB . SER A 245 ? 0.1562 0.2358 0.2480 0.0198 -0.0069 -0.0062 245 SER A CB 3519 O OG . SER A 245 ? 0.1665 0.2458 0.2590 0.0064 0.0184 0.0001 245 SER A OG 3525 N N . SER A 246 ? 0.2412 0.2656 0.3138 0.0166 0.0371 -0.0495 246 SER A N 3526 C CA . SER A 246 ? 0.3015 0.2934 0.3288 0.0289 0.0573 -0.0668 246 SER A CA 3527 C C . SER A 246 ? 0.3027 0.3179 0.3121 0.0283 0.0677 -0.0696 246 SER A C 3528 O O . SER A 246 ? 0.3547 0.3396 0.3132 0.0077 0.0892 -0.0603 246 SER A O 3529 C CB . SER A 246 ? 0.3543 0.3158 0.3842 0.0445 0.0496 -0.0575 246 SER A CB 3530 O OG . SER A 246 ? 0.4083 0.3381 0.4284 0.0535 0.0662 -0.0479 246 SER A OG 3536 N N . SER A 247 ? 0.2542 0.3114 0.2948 0.0337 0.0558 -0.0729 247 SER A N 3537 C CA . SER A 247 ? 0.2388 0.3230 0.2767 0.0184 0.0417 -0.0649 247 SER A CA 3538 C C . SER A 247 ? 0.1957 0.3174 0.2423 -0.0052 0.0222 -0.0567 247 SER A C 3539 O O . SER A 247 ? 0.2120 0.3258 0.2521 -0.0029 0.0507 -0.0344 247 SER A O 3540 C CB . SER A 247 ? 0.2583 0.3425 0.3145 0.0323 0.0459 -0.0457 247 SER A CB 3541 O OG . SER A 247 ? 0.2935 0.3651 0.3528 0.0312 0.0447 -0.0341 247 SER A OG 3547 N N . VAL A 248 ? 0.1683 0.2978 0.2052 -0.0085 -0.0072 -0.0543 248 VAL A N 3548 C CA . VAL A 248 ? 0.1646 0.2925 0.2100 0.0032 -0.0063 -0.0275 248 VAL A CA 3549 C C . VAL A 248 ? 0.1868 0.3028 0.2107 0.0126 0.0028 -0.0138 248 VAL A C 3550 O O . VAL A 248 ? 0.2310 0.3129 0.2303 0.0159 -0.0064 -0.0015 248 VAL A O 3551 C CB . VAL A 248 ? 0.1598 0.2825 0.2185 0.0126 -0.0122 -0.0357 248 VAL A CB 3552 C CG1 . VAL A 248 ? 0.2015 0.2844 0.2285 0.0290 0.0016 -0.0330 248 VAL A CG1 3553 C CG2 . VAL A 248 ? 0.1492 0.2805 0.2187 -0.0002 -0.0119 -0.0424 248 VAL A CG2 3563 N N . GLY A 249 ? 0.1314 0.3021 0.1846 -0.0023 -0.0064 -0.0304 249 GLY A N 3564 C CA . GLY A 249 ? 0.1473 0.3061 0.1842 0.0049 -0.0096 -0.0246 249 GLY A CA 3565 C C . GLY A 249 ? 0.1233 0.2873 0.1761 0.0069 -0.0341 -0.0146 249 GLY A C 3566 O O . GLY A 249 ? 0.1342 0.3091 0.1914 0.0105 -0.0406 -0.0031 249 GLY A O 3570 N N . GLY A 250 ? 0.0888 0.2388 0.1462 0.0006 -0.0382 -0.0304 250 GLY A N 3571 C CA . GLY A 250 ? 0.0827 0.1981 0.1531 -0.0040 -0.0229 -0.0274 250 GLY A CA 3572 C C . GLY A 250 ? 0.0646 0.1421 0.1357 0.0104 -0.0286 -0.0198 250 GLY A C 3573 O O . GLY A 250 ? 0.0766 0.1440 0.1404 0.0140 -0.0236 -0.0296 250 GLY A O 3577 N N . TYR A 251 ? 0.0771 0.0954 0.1412 0.0038 -0.0352 -0.0271 251 TYR A N 3578 C CA . TYR A 251 ? 0.0699 0.0897 0.1243 0.0035 -0.0360 -0.0240 251 TYR A CA 3579 C C . TYR A 251 ? 0.0791 0.0979 0.1171 0.0037 -0.0325 -0.0096 251 TYR A C 3580 O O . TYR A 251 ? 0.0815 0.0991 0.1184 -0.0010 -0.0415 -0.0140 251 TYR A O 3581 C CB . TYR A 251 ? 0.0856 0.1072 0.1449 -0.0142 -0.0425 -0.0120 251 TYR A CB 3582 C CG . TYR A 251 ? 0.0879 0.0989 0.1574 -0.0038 -0.0382 -0.0104 251 TYR A CG 3583 C CD1 . TYR A 251 ? 0.0987 0.1064 0.1731 -0.0288 -0.0354 -0.0241 251 TYR A CD1 3584 C CD2 . TYR A 251 ? 0.1016 0.1020 0.1497 0.0068 -0.0306 -0.0141 251 TYR A CD2 3585 C CE1 . TYR A 251 ? 0.1279 0.1068 0.1792 -0.0268 -0.0289 -0.0271 251 TYR A CE1 3586 C CE2 . TYR A 251 ? 0.1287 0.1095 0.1793 0.0070 -0.0243 -0.0328 251 TYR A CE2 3587 C CZ . TYR A 251 ? 0.1442 0.1127 0.1971 -0.0170 -0.0138 -0.0275 251 TYR A CZ 3588 O OH . TYR A 251 ? 0.1742 0.1275 0.2128 -0.0351 -0.0190 -0.0071 251 TYR A OH 3598 N N . VAL A 252 ? 0.0805 0.0983 0.1266 0.0105 -0.0518 -0.0252 252 VAL A N 3599 C CA . VAL A 252 ? 0.0813 0.1125 0.1264 -0.0014 -0.0340 -0.0303 252 VAL A CA 3600 C C . VAL A 252 ? 0.0697 0.1035 0.1234 -0.0081 -0.0367 -0.0159 252 VAL A C 3601 O O . VAL A 252 ? 0.1276 0.1096 0.1269 -0.0127 -0.0296 -0.0121 252 VAL A O 3602 C CB . VAL A 252 ? 0.0950 0.1419 0.1370 -0.0109 -0.0310 -0.0174 252 VAL A CB 3603 C CG1 . VAL A 252 ? 0.1227 0.1553 0.1309 -0.0150 -0.0160 0.0042 252 VAL A CG1 3604 C CG2 . VAL A 252 ? 0.1020 0.1608 0.1638 0.0118 -0.0149 -0.0056 252 VAL A CG2 3614 N N . PHE A 253 ? 0.0861 0.1002 0.1129 -0.0110 -0.0309 -0.0149 253 PHE A N 3615 C CA . PHE A 253 ? 0.0847 0.1117 0.1149 -0.0207 -0.0285 -0.0093 253 PHE A CA 3616 C C . PHE A 253 ? 0.0902 0.1183 0.1114 -0.0159 -0.0247 -0.0014 253 PHE A C 3617 O O . PHE A 253 ? 0.0766 0.1150 0.1034 -0.0259 -0.0291 0.0038 253 PHE A O 3618 C CB . PHE A 253 ? 0.0824 0.1308 0.1287 -0.0208 -0.0210 -0.0179 253 PHE A CB 3619 C CG . PHE A 253 ? 0.0676 0.1285 0.1294 -0.0088 -0.0424 -0.0172 253 PHE A CG 3620 C CD1 . PHE A 253 ? 0.0814 0.1296 0.1457 -0.0172 -0.0357 -0.0204 253 PHE A CD1 3621 C CD2 . PHE A 253 ? 0.0933 0.1346 0.1239 -0.0127 -0.0295 -0.0193 253 PHE A CD2 3622 C CE1 . PHE A 253 ? 0.0836 0.1316 0.1485 -0.0151 -0.0296 -0.0184 253 PHE A CE1 3623 C CE2 . PHE A 253 ? 0.0871 0.1317 0.1377 0.0017 -0.0447 -0.0157 253 PHE A CE2 3624 C CZ . PHE A 253 ? 0.0741 0.1357 0.1559 -0.0008 -0.0290 -0.0160 253 PHE A CZ 3634 N N . PRO A 254 ? 0.1048 0.1166 0.1092 -0.0236 -0.0426 0.0019 254 PRO A N 3635 C CA . PRO A 254 ? 0.1117 0.1234 0.1200 -0.0311 -0.0486 -0.0047 254 PRO A CA 3636 C C . PRO A 254 ? 0.1005 0.1222 0.1167 -0.0335 -0.0438 -0.0240 254 PRO A C 3637 O O . PRO A 254 ? 0.0953 0.1380 0.1268 -0.0295 -0.0350 -0.0170 254 PRO A O 3638 C CB . PRO A 254 ? 0.1267 0.1377 0.1194 -0.0360 -0.0481 0.0132 254 PRO A CB 3639 C CG . PRO A 254 ? 0.1269 0.1516 0.1257 -0.0269 -0.0651 0.0221 254 PRO A CG 3640 C CD . PRO A 254 ? 0.1183 0.1329 0.1103 -0.0274 -0.0387 0.0105 254 PRO A CD 3648 N N . CYS A 255 ? 0.1141 0.1258 0.1092 -0.0270 -0.0421 -0.0100 255 CYS A N 3649 C CA . CYS A 255 ? 0.1482 0.1298 0.1388 -0.0094 -0.0275 -0.0183 255 CYS A CA 3650 C C . CYS A 255 ? 0.1523 0.1367 0.1504 0.0064 -0.0088 -0.0206 255 CYS A C 3651 O O . CYS A 255 ? 0.2085 0.1493 0.1747 0.0523 -0.0045 -0.0256 255 CYS A O 3652 C CB . CYS A 255 ? 0.1550 0.1259 0.1495 -0.0114 -0.0356 -0.0270 255 CYS A CB 3653 S SG . CYS A 255 ? 0.1306 0.1383 0.1529 -0.0146 -0.0365 -0.0154 255 CYS A SG 3658 N N . SER A 256 ? 0.1291 0.1455 0.1306 -0.0296 -0.0333 -0.0320 256 SER A N 3659 C CA . SER A 256 ? 0.1294 0.1633 0.1408 -0.0299 -0.0189 -0.0316 256 SER A CA 3660 C C . SER A 256 ? 0.1326 0.1810 0.1398 -0.0337 -0.0146 -0.0357 256 SER A C 3661 O O . SER A 256 ? 0.1554 0.1981 0.1253 -0.0303 -0.0137 -0.0439 256 SER A O 3662 C CB . SER A 256 ? 0.1155 0.1717 0.1550 -0.0217 -0.0332 -0.0400 256 SER A CB 3663 O OG . SER A 256 ? 0.1228 0.1784 0.1528 -0.0227 -0.0443 -0.0374 256 SER A OG 3669 N N . ALA A 257 ? 0.1029 0.1925 0.1409 -0.0452 -0.0255 -0.0306 257 ALA A N 3670 C CA . ALA A 257 ? 0.1158 0.2149 0.1230 -0.0503 -0.0322 -0.0346 257 ALA A CA 3671 C C . ALA A 257 ? 0.1279 0.2420 0.1523 -0.0378 -0.0329 -0.0217 257 ALA A C 3672 O O . ALA A 257 ? 0.1491 0.2400 0.1938 -0.0095 -0.0319 -0.0089 257 ALA A O 3673 C CB . ALA A 257 ? 0.1568 0.2211 0.1556 -0.0683 0.0095 -0.0482 257 ALA A CB 3679 N N . THR A 258 ? 0.1322 0.2616 0.1305 -0.0331 -0.0444 -0.0358 258 THR A N 3680 C CA . THR A 258 ? 0.1253 0.2679 0.1717 -0.0277 -0.0667 -0.0315 258 THR A CA 3681 C C . THR A 258 ? 0.1326 0.2309 0.1651 -0.0243 -0.0538 -0.0085 258 THR A C 3682 O O . THR A 258 ? 0.1660 0.2538 0.1838 -0.0390 -0.0842 0.0341 258 THR A O 3683 C CB . THR A 258 ? 0.1464 0.3103 0.2085 -0.0148 -0.0504 -0.0383 258 THR A CB 3684 O OG1 . THR A 258 ? 0.1813 0.3322 0.2175 -0.0059 -0.0442 -0.0629 258 THR A OG1 3685 C CG2 . THR A 258 ? 0.1731 0.3224 0.2350 0.0035 -0.0209 -0.0356 258 THR A CG2 3693 N N . LEU A 259 ? 0.1132 0.1875 0.1233 0.0021 -0.0509 -0.0187 259 LEU A N 3694 C CA . LEU A 259 ? 0.1034 0.1493 0.1285 0.0093 -0.0359 -0.0042 259 LEU A CA 3695 C C . LEU A 259 ? 0.0931 0.1278 0.1186 0.0176 -0.0378 0.0087 259 LEU A C 3696 O O . LEU A 259 ? 0.0976 0.1271 0.1385 0.0149 -0.0302 -0.0084 259 LEU A O 3697 C CB . LEU A 259 ? 0.0754 0.1298 0.1254 0.0084 -0.0312 -0.0080 259 LEU A CB 3698 C CG . LEU A 259 ? 0.0703 0.1236 0.1457 0.0030 -0.0269 -0.0067 259 LEU A CG 3699 C CD1 . LEU A 259 ? 0.0982 0.1474 0.1569 0.0259 -0.0172 0.0133 259 LEU A CD1 3700 C CD2 . LEU A 259 ? 0.0955 0.1159 0.1862 0.0222 -0.0004 0.0008 259 LEU A CD2 3712 N N . PRO A 260 ? 0.0879 0.1176 0.1284 0.0232 -0.0159 0.0094 260 PRO A N 3713 C CA . PRO A 260 ? 0.0896 0.1109 0.1277 0.0169 -0.0220 0.0075 260 PRO A CA 3714 C C . PRO A 260 ? 0.0974 0.1079 0.1284 -0.0019 -0.0043 0.0007 260 PRO A C 3715 O O . PRO A 260 ? 0.0882 0.1015 0.1174 0.0097 -0.0107 0.0011 260 PRO A O 3716 C CB . PRO A 260 ? 0.1075 0.1341 0.1394 0.0266 -0.0282 0.0178 260 PRO A CB 3717 C CG . PRO A 260 ? 0.1311 0.1325 0.1584 0.0256 -0.0097 0.0140 260 PRO A CG 3718 C CD . PRO A 260 ? 0.1032 0.1268 0.1467 0.0339 -0.0264 0.0114 260 PRO A CD 3726 N N . SER A 261 ? 0.0887 0.1204 0.1061 0.0056 -0.0275 -0.0107 261 SER A N 3727 C CA . SER A 261 ? 0.0777 0.1138 0.1122 0.0050 -0.0364 -0.0097 261 SER A CA 3728 C C . SER A 261 ? 0.0940 0.1027 0.1265 0.0049 -0.0180 -0.0040 261 SER A C 3729 O O . SER A 261 ? 0.0985 0.1067 0.1245 0.0025 -0.0267 -0.0036 261 SER A O 3730 C CB . SER A 261 ? 0.0989 0.1253 0.1189 0.0071 -0.0150 -0.0079 261 SER A CB 3731 O OG . SER A 261 ? 0.1131 0.1584 0.1045 0.0067 -0.0147 0.0098 261 SER A OG 3737 N N . PHE A 262 ? 0.0787 0.1021 0.1184 0.0032 -0.0298 -0.0109 262 PHE A N 3738 C CA . PHE A 262 ? 0.0679 0.0924 0.1237 0.0105 -0.0317 0.0013 262 PHE A CA 3739 C C . PHE A 262 ? 0.0719 0.1015 0.1311 0.0101 -0.0404 0.0007 262 PHE A C 3740 O O . PHE A 262 ? 0.0750 0.0980 0.1454 0.0210 -0.0291 0.0196 262 PHE A O 3741 C CB . PHE A 262 ? 0.0746 0.0911 0.1312 -0.0100 -0.0195 0.0017 262 PHE A CB 3742 C CG . PHE A 262 ? 0.0707 0.0899 0.1241 -0.0047 -0.0113 -0.0013 262 PHE A CG 3743 C CD1 . PHE A 262 ? 0.1050 0.0979 0.1448 0.0117 -0.0345 0.0051 262 PHE A CD1 3744 C CD2 . PHE A 262 ? 0.0734 0.0934 0.1137 0.0017 -0.0299 -0.0076 262 PHE A CD2 3745 C CE1 . PHE A 262 ? 0.1088 0.0998 0.1591 0.0030 -0.0185 -0.0018 262 PHE A CE1 3746 C CE2 . PHE A 262 ? 0.1047 0.1037 0.1286 0.0045 -0.0228 -0.0192 262 PHE A CE2 3747 C CZ . PHE A 262 ? 0.0957 0.0965 0.1529 -0.0013 -0.0037 -0.0290 262 PHE A CZ 3757 N N . THR A 263 ? 0.0808 0.0985 0.1360 0.0115 -0.0360 0.0150 263 THR A N 3758 C CA . THR A 263 ? 0.0845 0.1062 0.1348 0.0140 -0.0336 0.0114 263 THR A CA 3759 C C . THR A 263 ? 0.0870 0.0950 0.1305 0.0052 -0.0231 0.0192 263 THR A C 3760 O O . THR A 263 ? 0.0902 0.1006 0.1601 0.0068 -0.0311 0.0287 263 THR A O 3761 C CB . THR A 263 ? 0.0924 0.1364 0.1558 -0.0009 -0.0171 0.0010 263 THR A CB 3762 O OG1 . THR A 263 ? 0.1095 0.1447 0.1501 0.0032 -0.0140 0.0018 263 THR A OG1 3763 C CG2 . THR A 263 ? 0.0928 0.1526 0.1714 0.0082 -0.0125 0.0127 263 THR A CG2 3771 N N . PHE A 264 ? 0.0889 0.1006 0.1459 0.0073 -0.0364 0.0017 264 PHE A N 3772 C CA . PHE A 264 ? 0.0802 0.1012 0.1454 0.0016 -0.0152 -0.0004 264 PHE A CA 3773 C C . PHE A 264 ? 0.0750 0.0920 0.1541 0.0106 -0.0352 0.0031 264 PHE A C 3774 O O . PHE A 264 ? 0.0803 0.0969 0.1639 0.0111 -0.0332 0.0090 264 PHE A O 3775 C CB . PHE A 264 ? 0.0587 0.1181 0.1471 0.0059 -0.0135 -0.0067 264 PHE A CB 3776 C CG . PHE A 264 ? 0.0718 0.1122 0.1553 0.0070 -0.0141 -0.0001 264 PHE A CG 3777 C CD1 . PHE A 264 ? 0.0789 0.1230 0.1449 -0.0029 -0.0004 -0.0011 264 PHE A CD1 3778 C CD2 . PHE A 264 ? 0.0720 0.1069 0.1673 0.0088 -0.0289 0.0005 264 PHE A CD2 3779 C CE1 . PHE A 264 ? 0.0737 0.1310 0.1487 0.0029 -0.0060 -0.0065 264 PHE A CE1 3780 C CE2 . PHE A 264 ? 0.0936 0.1138 0.1492 0.0012 -0.0355 -0.0012 264 PHE A CE2 3781 C CZ . PHE A 264 ? 0.0885 0.1169 0.1565 0.0079 -0.0214 0.0016 264 PHE A CZ 3791 N N . GLY A 265 ? 0.0732 0.0970 0.1625 0.0104 -0.0361 0.0030 265 GLY A N 3792 C CA . GLY A 265 ? 0.0700 0.1008 0.1676 0.0028 -0.0225 0.0084 265 GLY A CA 3793 C C . GLY A 265 ? 0.0760 0.0968 0.1566 0.0014 -0.0089 0.0072 265 GLY A C 3794 O O . GLY A 265 ? 0.0734 0.1053 0.1584 0.0091 -0.0210 -0.0037 265 GLY A O 3798 N N . VAL A 266 ? 0.0745 0.1001 0.1464 0.0011 -0.0342 0.0010 266 VAL A N 3799 C CA . VAL A 266 ? 0.0662 0.0995 0.1724 -0.0068 -0.0336 0.0078 266 VAL A CA 3800 C C . VAL A 266 ? 0.0736 0.1033 0.1778 -0.0053 -0.0374 0.0107 266 VAL A C 3801 O O . VAL A 266 ? 0.0883 0.1170 0.1896 0.0106 -0.0110 0.0187 266 VAL A O 3802 C CB . VAL A 266 ? 0.0690 0.1093 0.1848 0.0000 -0.0288 -0.0020 266 VAL A CB 3803 C CG1 . VAL A 266 ? 0.0719 0.1132 0.1921 0.0014 -0.0250 0.0035 266 VAL A CG1 3804 C CG2 . VAL A 266 ? 0.0723 0.1106 0.1738 -0.0012 -0.0536 -0.0011 266 VAL A CG2 3814 N N . GLY A 267 ? 0.0785 0.1144 0.1961 -0.0110 -0.0406 0.0150 267 GLY A N 3815 C CA . GLY A 267 ? 0.0946 0.1334 0.2114 -0.0236 -0.0274 0.0182 267 GLY A CA 3816 C C . GLY A 267 ? 0.0918 0.1423 0.2111 0.0065 -0.0080 0.0176 267 GLY A C 3817 O O . GLY A 267 ? 0.0983 0.1505 0.2003 0.0166 -0.0109 0.0142 267 GLY A O 3821 N N . SER A 268 ? 0.1024 0.1621 0.2463 0.0121 0.0112 0.0213 268 SER A N 3822 C CA . SER A 268 ? 0.1326 0.1820 0.2534 0.0214 0.0329 0.0241 268 SER A CA 3823 C C . SER A 268 ? 0.1416 0.1836 0.2054 0.0302 -0.0003 0.0146 268 SER A C 3824 O O . SER A 268 ? 0.1852 0.2057 0.2010 0.0357 0.0168 -0.0091 268 SER A O 3825 C CB . SER A 268 ? 0.1852 0.2166 0.3281 0.0262 0.0711 0.0329 268 SER A CB 3826 O OG . SER A 268 ? 0.2159 0.2493 0.3863 0.0327 0.0911 0.0350 268 SER A OG 3832 N N . ALA A 269 ? 0.0849 0.1638 0.1863 0.0139 -0.0339 0.0050 269 ALA A N 3833 C CA . ALA A 269 ? 0.0877 0.1615 0.1855 0.0187 -0.0329 -0.0083 269 ALA A CA 3834 C C . ALA A 269 ? 0.0792 0.1509 0.1605 0.0188 -0.0247 -0.0043 269 ALA A C 3835 O O . ALA A 269 ? 0.0946 0.1366 0.1521 0.0210 -0.0232 0.0056 269 ALA A O 3836 C CB . ALA A 269 ? 0.1131 0.1632 0.2266 0.0304 -0.0350 -0.0187 269 ALA A CB 3842 N N . ARG A 270 ? 0.0897 0.1404 0.1469 0.0069 -0.0095 0.0147 270 ARG A N 3843 C CA . ARG A 270 ? 0.0817 0.1415 0.1596 0.0016 -0.0096 0.0060 270 ARG A CA 3844 C C . ARG A 270 ? 0.1000 0.1342 0.1653 0.0104 0.0074 -0.0142 270 ARG A C 3845 O O . ARG A 270 ? 0.1439 0.1309 0.2178 0.0036 0.0452 -0.0113 270 ARG A O 3846 C CB . ARG A 270 ? 0.0898 0.1504 0.1926 -0.0092 -0.0177 0.0139 270 ARG A CB 3847 C CG . ARG A 270 ? 0.1172 0.1598 0.2027 0.0021 -0.0209 0.0244 270 ARG A CG 3848 C CD . ARG A 270 ? 0.1273 0.1742 0.2147 0.0100 0.0108 0.0254 270 ARG A CD 3849 N NE . ARG A 270 ? 0.1356 0.1799 0.2051 0.0104 -0.0044 0.0514 270 ARG A NE 3850 C CZ . ARG A 270 ? 0.1300 0.1894 0.2295 -0.0009 0.0226 0.0607 270 ARG A CZ 3851 N NH1 . ARG A 270 ? 0.1307 0.1893 0.2459 0.0083 0.0014 0.0418 270 ARG A NH1 3852 N NH2 . ARG A 270 ? 0.1451 0.1965 0.2384 0.0026 0.0423 0.0766 270 ARG A NH2 3866 N N . ILE A 271 ? 0.0772 0.1179 0.1306 0.0075 -0.0014 -0.0052 271 ILE A N 3867 C CA . ILE A 271 ? 0.0661 0.1070 0.1275 0.0043 -0.0182 -0.0049 271 ILE A CA 3868 C C . ILE A 271 ? 0.0739 0.1113 0.1196 0.0199 -0.0296 -0.0001 271 ILE A C 3869 O O . ILE A 271 ? 0.0746 0.1167 0.1453 0.0189 -0.0388 -0.0006 271 ILE A O 3870 C CB . ILE A 271 ? 0.0743 0.1147 0.1533 0.0122 -0.0091 0.0070 271 ILE A CB 3871 C CG1 . ILE A 271 ? 0.0722 0.1363 0.1555 0.0208 -0.0295 0.0144 271 ILE A CG1 3872 C CG2 . ILE A 271 ? 0.0921 0.1126 0.1420 0.0044 -0.0010 0.0073 271 ILE A CG2 3873 C CD1 . ILE A 271 ? 0.0842 0.1630 0.1890 0.0354 -0.0414 0.0146 271 ILE A CD1 3885 N N . VAL A 272 ? 0.0760 0.1127 0.1395 0.0118 -0.0400 -0.0057 272 VAL A N 3886 C CA . VAL A 272 ? 0.0830 0.1037 0.1455 0.0160 -0.0304 -0.0175 272 VAL A CA 3887 C C . VAL A 272 ? 0.0872 0.0904 0.1425 0.0127 -0.0309 -0.0155 272 VAL A C 3888 O O . VAL A 272 ? 0.0884 0.0959 0.1840 0.0138 -0.0277 0.0077 272 VAL A O 3889 C CB . VAL A 272 ? 0.0958 0.1311 0.1458 -0.0093 -0.0265 -0.0199 272 VAL A CB 3890 C CG1 . VAL A 272 ? 0.1062 0.1482 0.1447 -0.0054 -0.0346 -0.0178 272 VAL A CG1 3891 C CG2 . VAL A 272 ? 0.1178 0.1390 0.1412 0.0042 -0.0135 -0.0035 272 VAL A CG2 3901 N N . ILE A 273 ? 0.0838 0.0875 0.1369 0.0061 -0.0121 -0.0067 273 ILE A N 3902 C CA . ILE A 273 ? 0.0632 0.0884 0.1372 0.0140 -0.0283 -0.0006 273 ILE A CA 3903 C C . ILE A 273 ? 0.0789 0.0976 0.1378 0.0175 -0.0290 -0.0021 273 ILE A C 3904 O O . ILE A 273 ? 0.0868 0.1045 0.1390 0.0149 -0.0336 -0.0006 273 ILE A O 3905 C CB . ILE A 273 ? 0.0652 0.0885 0.1223 0.0073 -0.0298 0.0062 273 ILE A CB 3906 C CG1 . ILE A 273 ? 0.0774 0.1004 0.1256 0.0096 -0.0309 0.0060 273 ILE A CG1 3907 C CG2 . ILE A 273 ? 0.0898 0.1039 0.1310 -0.0058 -0.0261 0.0009 273 ILE A CG2 3908 C CD1 . ILE A 273 ? 0.0853 0.0928 0.1296 -0.0029 -0.0218 0.0111 273 ILE A CD1 3920 N N . PRO A 274 ? 0.0839 0.0949 0.1397 0.0021 -0.0360 0.0067 274 PRO A N 3921 C CA . PRO A 274 ? 0.0901 0.1039 0.1356 0.0040 -0.0375 0.0111 274 PRO A CA 3922 C C . PRO A 274 ? 0.0987 0.1019 0.1206 0.0019 -0.0429 0.0181 274 PRO A C 3923 O O . PRO A 274 ? 0.0935 0.1007 0.1173 -0.0156 -0.0419 0.0119 274 PRO A O 3924 C CB . PRO A 274 ? 0.0969 0.1171 0.1518 -0.0027 -0.0227 0.0025 274 PRO A CB 3925 C CG . PRO A 274 ? 0.0988 0.1086 0.1569 0.0023 -0.0164 -0.0085 274 PRO A CG 3926 C CD . PRO A 274 ? 0.0930 0.0950 0.1452 0.0189 -0.0251 0.0045 274 PRO A CD 3934 N N . GLY A 275 ? 0.0960 0.1089 0.1155 0.0110 -0.0572 0.0076 275 GLY A N 3935 C CA . GLY A 275 ? 0.1049 0.1051 0.1213 0.0236 -0.0411 0.0118 275 GLY A CA 3936 C C . GLY A 275 ? 0.0896 0.1114 0.1382 0.0176 -0.0435 -0.0103 275 GLY A C 3937 O O . GLY A 275 ? 0.0924 0.1293 0.1345 0.0239 -0.0322 -0.0193 275 GLY A O 3941 N N . ASP A 276 ? 0.0837 0.1110 0.1386 0.0067 -0.0367 -0.0205 276 ASP A N 3942 C CA A ASP A 276 ? 0.1137 0.1130 0.1468 -0.0050 -0.0243 -0.0140 276 ASP A CA 3943 C CA B ASP A 276 ? 0.1152 0.1296 0.1585 -0.0121 -0.0310 -0.0103 276 ASP A CA 3944 C C . ASP A 276 ? 0.0923 0.1095 0.1447 -0.0067 -0.0343 -0.0118 276 ASP A C 3945 O O . ASP A 276 ? 0.0986 0.1219 0.1665 -0.0091 -0.0149 -0.0042 276 ASP A O 3946 C CB A ASP A 276 ? 0.1628 0.1110 0.1505 -0.0133 -0.0011 -0.0284 276 ASP A CB 3947 C CB B ASP A 276 ? 0.1672 0.1537 0.1809 -0.0386 -0.0193 -0.0365 276 ASP A CB 3948 C CG A ASP A 276 ? 0.2021 0.1081 0.1640 -0.0111 0.0133 -0.0392 276 ASP A CG 3949 C CG B ASP A 276 ? 0.2230 0.1892 0.2111 -0.0261 -0.0270 -0.0395 276 ASP A CG 3950 O OD1 A ASP A 276 ? 0.2125 0.1143 0.1428 -0.0053 0.0182 -0.0369 276 ASP A OD1 3951 O OD1 B ASP A 276 ? 0.2304 0.2165 0.2298 -0.0308 -0.0624 -0.0542 276 ASP A OD1 3952 O OD2 A ASP A 276 ? 0.2123 0.0997 0.1858 -0.0113 -0.0075 -0.0521 276 ASP A OD2 3953 O OD2 B ASP A 276 ? 0.2728 0.2159 0.2277 -0.0218 -0.0073 -0.0402 276 ASP A OD2 3960 N N . TYR A 277 ? 0.0754 0.0991 0.1434 -0.0001 -0.0330 -0.0130 277 TYR A N 3961 C CA . TYR A 277 ? 0.0796 0.0930 0.1310 -0.0056 -0.0289 -0.0008 277 TYR A CA 3962 C C . TYR A 277 ? 0.0879 0.0973 0.1221 0.0096 -0.0080 0.0046 277 TYR A C 3963 O O . TYR A 277 ? 0.1106 0.1059 0.1256 0.0018 -0.0078 0.0059 277 TYR A O 3964 C CB . TYR A 277 ? 0.0740 0.0958 0.1329 -0.0173 -0.0223 0.0119 277 TYR A CB 3965 C CG . TYR A 277 ? 0.0744 0.0956 0.1327 0.0035 -0.0286 0.0040 277 TYR A CG 3966 C CD1 . TYR A 277 ? 0.0870 0.1154 0.1445 0.0106 -0.0301 0.0006 277 TYR A CD1 3967 C CD2 . TYR A 277 ? 0.0970 0.1103 0.1444 0.0121 -0.0304 0.0249 277 TYR A CD2 3968 C CE1 . TYR A 277 ? 0.0877 0.1180 0.1574 0.0125 -0.0228 0.0121 277 TYR A CE1 3969 C CE2 . TYR A 277 ? 0.1000 0.1209 0.1465 0.0237 -0.0264 0.0296 277 TYR A CE2 3970 C CZ . TYR A 277 ? 0.1038 0.1200 0.1541 0.0288 -0.0177 0.0262 277 TYR A CZ 3971 O OH . TYR A 277 ? 0.1099 0.1484 0.1838 0.0359 -0.0175 0.0184 277 TYR A OH 3981 N N . ILE A 278 ? 0.0744 0.1010 0.1095 0.0075 -0.0224 -0.0098 278 ILE A N 3982 C CA . ILE A 278 ? 0.0568 0.1012 0.1109 -0.0037 -0.0202 -0.0083 278 ILE A CA 3983 C C . ILE A 278 ? 0.0629 0.1023 0.1270 0.0014 -0.0250 -0.0220 278 ILE A C 3984 O O . ILE A 278 ? 0.0768 0.1072 0.1369 0.0098 -0.0153 -0.0383 278 ILE A O 3985 C CB . ILE A 278 ? 0.0622 0.0924 0.1288 -0.0057 -0.0231 -0.0177 278 ILE A CB 3986 C CG1 . ILE A 278 ? 0.0834 0.1006 0.1280 0.0055 -0.0353 -0.0036 278 ILE A CG1 3987 C CG2 . ILE A 278 ? 0.1068 0.0728 0.1276 0.0135 -0.0168 -0.0123 278 ILE A CG2 3988 C CD1 . ILE A 278 ? 0.1021 0.1122 0.1382 0.0006 -0.0155 0.0034 278 ILE A CD1 4000 N N . ASP A 279 ? 0.0573 0.1131 0.1359 0.0053 -0.0252 -0.0259 279 ASP A N 4001 C CA . ASP A 279 ? 0.0642 0.1205 0.1457 -0.0051 -0.0196 -0.0295 279 ASP A CA 4002 C C . ASP A 279 ? 0.0776 0.1088 0.1680 0.0010 -0.0149 0.0066 279 ASP A C 4003 O O . ASP A 279 ? 0.1096 0.1094 0.1922 -0.0008 0.0065 0.0118 279 ASP A O 4004 C CB . ASP A 279 ? 0.0907 0.1356 0.1678 -0.0141 -0.0247 -0.0463 279 ASP A CB 4005 C CG . ASP A 279 ? 0.1197 0.1526 0.1750 -0.0213 -0.0371 -0.0592 279 ASP A CG 4006 O OD1 . ASP A 279 ? 0.1101 0.1489 0.1603 -0.0214 -0.0404 -0.0228 279 ASP A OD1 4007 O OD2 . ASP A 279 ? 0.1636 0.1846 0.2578 -0.0316 -0.0275 -0.0794 279 ASP A OD2 4012 N N . PHE A 280 ? 0.0683 0.0997 0.1400 -0.0044 -0.0303 0.0178 280 PHE A N 4013 C CA . PHE A 280 ? 0.0611 0.1225 0.1365 0.0001 -0.0333 0.0191 280 PHE A CA 4014 C C . PHE A 280 ? 0.0643 0.1400 0.1471 -0.0028 -0.0202 0.0295 280 PHE A C 4015 O O . PHE A 280 ? 0.0702 0.1669 0.1583 -0.0151 -0.0195 0.0349 280 PHE A O 4016 C CB . PHE A 280 ? 0.0892 0.1278 0.1335 0.0063 -0.0143 0.0085 280 PHE A CB 4017 C CG . PHE A 280 ? 0.0837 0.1140 0.1380 -0.0100 -0.0456 -0.0053 280 PHE A CG 4018 C CD1 . PHE A 280 ? 0.0802 0.1182 0.1425 -0.0165 -0.0505 -0.0077 280 PHE A CD1 4019 C CD2 . PHE A 280 ? 0.1170 0.1195 0.1524 -0.0077 -0.0517 -0.0071 280 PHE A CD2 4020 C CE1 . PHE A 280 ? 0.0935 0.1290 0.1629 -0.0131 -0.0661 -0.0073 280 PHE A CE1 4021 C CE2 . PHE A 280 ? 0.1199 0.1232 0.1656 -0.0095 -0.0743 -0.0108 280 PHE A CE2 4022 C CZ . PHE A 280 ? 0.1141 0.1253 0.1750 -0.0037 -0.0622 -0.0030 280 PHE A CZ 4032 N N . GLY A 281 ? 0.0607 0.1421 0.1600 -0.0037 -0.0205 0.0079 281 GLY A N 4033 C CA . GLY A 281 ? 0.0667 0.1355 0.1593 -0.0046 -0.0062 0.0023 281 GLY A CA 4034 C C . GLY A 281 ? 0.0585 0.1210 0.1375 -0.0026 -0.0226 0.0052 281 GLY A C 4035 O O . GLY A 281 ? 0.0631 0.1131 0.1255 -0.0055 -0.0217 0.0056 281 GLY A O 4039 N N . PRO A 282 ? 0.0578 0.1119 0.1568 -0.0019 -0.0331 0.0124 282 PRO A N 4040 C CA . PRO A 282 ? 0.0586 0.1376 0.1505 0.0030 -0.0294 0.0205 282 PRO A CA 4041 C C . PRO A 282 ? 0.0687 0.1538 0.1404 0.0118 -0.0148 0.0363 282 PRO A C 4042 O O . PRO A 282 ? 0.0751 0.1829 0.1475 0.0280 -0.0177 0.0412 282 PRO A O 4043 C CB . PRO A 282 ? 0.0613 0.1355 0.1757 0.0014 -0.0208 0.0279 282 PRO A CB 4044 C CG . PRO A 282 ? 0.0813 0.1328 0.1890 -0.0128 -0.0177 0.0118 282 PRO A CG 4045 C CD . PRO A 282 ? 0.0718 0.1146 0.1751 -0.0083 -0.0373 0.0070 282 PRO A CD 4053 N N . ILE A 283 ? 0.0636 0.1514 0.1294 0.0174 -0.0245 0.0095 283 ILE A N 4054 C CA . ILE A 283 ? 0.0756 0.1832 0.1428 -0.0012 -0.0160 -0.0079 283 ILE A CA 4055 C C . ILE A 283 ? 0.0971 0.2303 0.1339 -0.0003 -0.0211 0.0125 283 ILE A C 4056 O O . ILE A 283 ? 0.1347 0.2834 0.1318 -0.0066 -0.0143 -0.0054 283 ILE A O 4057 C CB . ILE A 283 ? 0.0942 0.1747 0.1663 0.0065 -0.0236 -0.0168 283 ILE A CB 4058 C CG1 . ILE A 283 ? 0.0988 0.1687 0.1945 0.0127 -0.0329 0.0025 283 ILE A CG1 4059 C CG2 . ILE A 283 ? 0.1391 0.1788 0.1838 0.0077 -0.0184 -0.0296 283 ILE A CG2 4060 C CD1 . ILE A 283 ? 0.1538 0.1812 0.2270 0.0111 -0.0319 -0.0015 283 ILE A CD1 4072 N N . SER A 284 ? 0.0666 0.2286 0.1376 0.0070 -0.0179 0.0385 284 SER A N 4073 C CA . SER A 284 ? 0.0731 0.2436 0.1585 0.0144 -0.0115 0.0575 284 SER A CA 4074 C C . SER A 284 ? 0.0691 0.2058 0.1814 0.0139 -0.0016 0.0719 284 SER A C 4075 O O . SER A 284 ? 0.0761 0.1889 0.1642 0.0069 -0.0163 0.0639 284 SER A O 4076 C CB . SER A 284 ? 0.0891 0.2781 0.1715 0.0247 -0.0109 0.0425 284 SER A CB 4077 O OG . SER A 284 ? 0.1127 0.3259 0.2125 0.0321 0.0104 0.0169 284 SER A OG 4083 N N . THR A 285 ? 0.0829 0.2225 0.2270 0.0107 0.0161 0.0981 285 THR A N 4084 C CA . THR A 285 ? 0.1030 0.2149 0.2646 0.0266 0.0431 0.1136 285 THR A CA 4085 C C . THR A 285 ? 0.0868 0.1701 0.2433 0.0164 0.0243 0.0756 285 THR A C 4086 O O . THR A 285 ? 0.0716 0.1565 0.2264 0.0151 0.0221 0.0404 285 THR A O 4087 C CB . THR A 285 ? 0.1478 0.2448 0.3264 0.0415 0.0475 0.1600 285 THR A CB 4088 O OG1 . THR A 285 ? 0.1940 0.2768 0.3619 0.0313 0.0517 0.1837 285 THR A OG1 4089 C CG2 . THR A 285 ? 0.1554 0.2332 0.3495 0.0379 0.0699 0.1570 285 THR A CG2 4097 N N . GLY A 286 ? 0.1200 0.1537 0.2653 0.0158 0.0463 0.0427 286 GLY A N 4098 C CA . GLY A 286 ? 0.1295 0.1318 0.2320 0.0113 0.0440 0.0110 286 GLY A CA 4099 C C . GLY A 286 ? 0.0898 0.1268 0.1946 0.0004 0.0157 -0.0059 286 GLY A C 4100 O O . GLY A 286 ? 0.1039 0.1294 0.1853 -0.0043 0.0207 -0.0233 286 GLY A O 4104 N N . SER A 287 ? 0.0632 0.1317 0.1841 0.0010 0.0128 0.0016 287 SER A N 4105 C CA . SER A 287 ? 0.0434 0.1246 0.1457 -0.0045 -0.0137 0.0083 287 SER A CA 4106 C C . SER A 287 ? 0.0533 0.1209 0.1450 0.0013 -0.0190 -0.0024 287 SER A C 4107 O O . SER A 287 ? 0.0685 0.1327 0.1593 0.0036 -0.0139 0.0163 287 SER A O 4108 C CB . SER A 287 ? 0.0525 0.1198 0.1366 -0.0044 -0.0172 0.0140 287 SER A CB 4109 O OG . SER A 287 ? 0.0628 0.1174 0.1244 -0.0048 -0.0243 0.0073 287 SER A OG 4115 N N . SER A 288 ? 0.0766 0.1172 0.1405 0.0040 -0.0398 -0.0123 288 SER A N 4116 C CA . SER A 288 ? 0.1230 0.1254 0.1455 -0.0078 -0.0401 -0.0086 288 SER A CA 4117 C C . SER A 288 ? 0.0915 0.1299 0.1177 -0.0159 -0.0440 -0.0031 288 SER A C 4118 O O . SER A 288 ? 0.1235 0.1647 0.1351 -0.0108 -0.0209 -0.0035 288 SER A O 4119 C CB . SER A 288 ? 0.1707 0.1579 0.1459 0.0011 -0.0707 -0.0137 288 SER A CB 4120 O OG . SER A 288 ? 0.2261 0.1957 0.1945 0.0113 -0.0986 -0.0084 288 SER A OG 4126 N N . SER A 289 ? 0.0784 0.1194 0.1189 -0.0105 -0.0413 0.0071 289 SER A N 4127 C CA A SER A 289 ? 0.0866 0.1147 0.1281 -0.0010 -0.0419 -0.0010 289 SER A CA 4128 C CA B SER A 289 ? 0.0811 0.1173 0.1322 -0.0077 -0.0428 -0.0040 289 SER A CA 4129 C C . SER A 289 ? 0.0805 0.1166 0.1297 0.0046 -0.0310 0.0015 289 SER A C 4130 O O . SER A 289 ? 0.0846 0.1214 0.1337 0.0049 -0.0169 0.0179 289 SER A O 4131 C CB A SER A 289 ? 0.1185 0.1150 0.1477 0.0062 -0.0464 -0.0029 289 SER A CB 4132 C CB B SER A 289 ? 0.0991 0.1198 0.1553 -0.0166 -0.0496 -0.0155 289 SER A CB 4133 O OG A SER A 289 ? 0.1241 0.1271 0.1685 0.0285 -0.0380 0.0031 289 SER A OG 4134 O OG B SER A 289 ? 0.0943 0.1318 0.1834 -0.0146 -0.0435 -0.0190 289 SER A OG 4145 N N . CYS A 290 ? 0.0699 0.0962 0.1305 -0.0008 -0.0386 -0.0011 290 CYS A N 4146 C CA . CYS A 290 ? 0.0731 0.0877 0.1464 0.0001 -0.0355 -0.0023 290 CYS A CA 4147 C C . CYS A 290 ? 0.0779 0.1013 0.1365 -0.0053 -0.0334 -0.0046 290 CYS A C 4148 O O . CYS A 290 ? 0.1136 0.1050 0.1323 -0.0168 -0.0435 0.0013 290 CYS A O 4149 C CB . CYS A 290 ? 0.0860 0.1108 0.1522 -0.0032 -0.0249 -0.0003 290 CYS A CB 4150 S SG . CYS A 290 ? 0.1294 0.1118 0.1478 -0.0055 -0.0313 -0.0045 290 CYS A SG 4155 N N . PHE A 291 ? 0.0636 0.1117 0.1371 -0.0034 -0.0316 0.0077 291 PHE A N 4156 C CA . PHE A 291 ? 0.0693 0.1169 0.1163 0.0014 -0.0455 0.0025 291 PHE A CA 4157 C C . PHE A 291 ? 0.0636 0.1081 0.1163 -0.0019 -0.0383 -0.0076 291 PHE A C 4158 O O . PHE A 291 ? 0.0664 0.1128 0.1359 0.0040 -0.0199 -0.0062 291 PHE A O 4159 C CB . PHE A 291 ? 0.0884 0.1458 0.1149 0.0055 -0.0261 0.0052 291 PHE A CB 4160 C CG . PHE A 291 ? 0.0832 0.1754 0.1180 0.0004 -0.0440 -0.0247 291 PHE A CG 4161 C CD1 . PHE A 291 ? 0.1123 0.1754 0.1371 0.0157 -0.0498 -0.0298 291 PHE A CD1 4162 C CD2 . PHE A 291 ? 0.1044 0.1922 0.1382 -0.0009 -0.0319 -0.0286 291 PHE A CD2 4163 C CE1 . PHE A 291 ? 0.1451 0.1960 0.1625 0.0122 -0.0294 -0.0219 291 PHE A CE1 4164 C CE2 . PHE A 291 ? 0.0942 0.1931 0.1567 0.0083 -0.0399 -0.0316 291 PHE A CE2 4165 C CZ . PHE A 291 ? 0.1174 0.1960 0.1636 0.0083 -0.0423 -0.0319 291 PHE A CZ 4175 N N . GLY A 292 ? 0.0669 0.1017 0.1165 0.0060 -0.0288 0.0033 292 GLY A N 4176 C CA . GLY A 292 ? 0.0679 0.0987 0.1112 -0.0100 -0.0325 -0.0023 292 GLY A CA 4177 C C . GLY A 292 ? 0.0699 0.0902 0.0927 0.0093 -0.0266 -0.0111 292 GLY A C 4178 O O . GLY A 292 ? 0.0806 0.1027 0.1111 0.0051 -0.0270 -0.0107 292 GLY A O 4182 N N . GLY A 293 ? 0.0687 0.0966 0.1024 0.0130 -0.0294 -0.0021 293 GLY A N 4183 C CA . GLY A 293 ? 0.0712 0.0916 0.1070 0.0074 -0.0370 0.0071 293 GLY A CA 4184 C C . GLY A 293 ? 0.0605 0.0890 0.1163 0.0120 -0.0367 0.0035 293 GLY A C 4185 O O . GLY A 293 ? 0.0856 0.1052 0.1154 0.0181 -0.0515 0.0052 293 GLY A O 4189 N N . ILE A 294 ? 0.0622 0.0837 0.0984 -0.0034 -0.0395 0.0031 294 ILE A N 4190 C CA . ILE A 294 ? 0.0736 0.0993 0.1020 0.0062 -0.0300 0.0066 294 ILE A CA 4191 C C . ILE A 294 ? 0.0600 0.1025 0.0951 0.0047 -0.0395 -0.0050 294 ILE A C 4192 O O . ILE A 294 ? 0.0642 0.1062 0.1074 0.0078 -0.0454 -0.0127 294 ILE A O 4193 C CB . ILE A 294 ? 0.0971 0.1173 0.1159 -0.0001 -0.0164 0.0098 294 ILE A CB 4194 C CG1 . ILE A 294 ? 0.0988 0.1280 0.1126 0.0147 -0.0265 -0.0012 294 ILE A CG1 4195 C CG2 . ILE A 294 ? 0.1096 0.1203 0.1556 -0.0256 -0.0006 0.0068 294 ILE A CG2 4196 C CD1 . ILE A 294 ? 0.1244 0.1363 0.1250 0.0046 -0.0153 -0.0206 294 ILE A CD1 4208 N N . GLN A 295 ? 0.0615 0.0992 0.1056 0.0058 -0.0446 -0.0060 295 GLN A N 4209 C CA . GLN A 295 ? 0.0825 0.0983 0.1025 0.0110 -0.0270 -0.0036 295 GLN A CA 4210 C C . GLN A 295 ? 0.0772 0.0884 0.1153 0.0175 -0.0364 0.0001 295 GLN A C 4211 O O . GLN A 295 ? 0.0796 0.0897 0.1282 0.0015 -0.0318 0.0125 295 GLN A O 4212 C CB . GLN A 295 ? 0.0846 0.1078 0.1211 -0.0011 -0.0393 -0.0063 295 GLN A CB 4213 C CG . GLN A 295 ? 0.0813 0.1099 0.1249 0.0081 -0.0379 -0.0084 295 GLN A CG 4214 C CD . GLN A 295 ? 0.0626 0.1026 0.1365 0.0044 -0.0434 -0.0124 295 GLN A CD 4215 O OE1 . GLN A 295 ? 0.0771 0.0942 0.1717 0.0092 -0.0565 -0.0175 295 GLN A OE1 4216 N NE2 . GLN A 295 ? 0.0739 0.0940 0.1397 0.0017 -0.0388 -0.0274 295 GLN A NE2 4225 N N . SER A 296 ? 0.0842 0.0865 0.1233 0.0163 -0.0429 -0.0123 296 SER A N 4226 C CA . SER A 296 ? 0.0931 0.0748 0.1224 0.0059 -0.0431 -0.0028 296 SER A CA 4227 C C . SER A 296 ? 0.0888 0.0712 0.1221 -0.0022 -0.0416 0.0236 296 SER A C 4228 O O . SER A 296 ? 0.0963 0.0961 0.1304 -0.0029 -0.0318 0.0120 296 SER A O 4229 C CB . SER A 296 ? 0.0944 0.0813 0.1506 0.0052 -0.0504 0.0039 296 SER A CB 4230 O OG . SER A 296 ? 0.1124 0.0838 0.1561 -0.0029 -0.0481 -0.0067 296 SER A OG 4236 N N . SER A 297 ? 0.0816 0.0860 0.1296 -0.0085 -0.0390 -0.0039 297 SER A N 4237 C CA . SER A 297 ? 0.0925 0.1083 0.1407 0.0041 -0.0459 -0.0103 297 SER A CA 4238 C C . SER A 297 ? 0.1250 0.1106 0.1335 0.0115 -0.0627 -0.0105 297 SER A C 4239 O O . SER A 297 ? 0.1682 0.1358 0.1309 0.0279 -0.0576 -0.0283 297 SER A O 4240 C CB . SER A 297 ? 0.0838 0.1150 0.1435 -0.0143 -0.0595 0.0033 297 SER A CB 4241 O OG . SER A 297 ? 0.1049 0.1108 0.1729 -0.0061 -0.0376 -0.0094 297 SER A OG 4247 N N A ALA A 298 ? 0.1309 0.0997 0.1346 0.0216 -0.0665 -0.0138 298 ALA A N 4248 N N B ALA A 298 ? 0.1548 0.1207 0.1464 0.0140 -0.0556 -0.0226 298 ALA A N 4249 C CA A ALA A 298 ? 0.1614 0.1145 0.1542 0.0450 -0.0599 -0.0215 298 ALA A CA 4250 C CA B ALA A 298 ? 0.2055 0.1472 0.1701 0.0281 -0.0403 -0.0341 298 ALA A CA 4251 C C A ALA A 298 ? 0.2224 0.1384 0.1680 0.0601 -0.0395 -0.0256 298 ALA A C 4252 C C B ALA A 298 ? 0.2573 0.1730 0.1734 0.0318 -0.0382 -0.0471 298 ALA A C 4253 O O A ALA A 298 ? 0.2303 0.1596 0.1920 0.0597 0.0027 -0.0207 298 ALA A O 4254 O O B ALA A 298 ? 0.2774 0.1758 0.1821 0.0108 -0.0408 -0.0699 298 ALA A O 4255 C CB A ALA A 298 ? 0.1426 0.1028 0.1461 0.0451 -0.0783 -0.0293 298 ALA A CB 4256 C CB B ALA A 298 ? 0.2093 0.1436 0.1795 0.0366 -0.0396 -0.0320 298 ALA A CB 4267 N N A GLY A 299 ? 0.2768 0.1560 0.1798 0.0652 -0.0303 -0.0225 299 GLY A N 4268 N N B GLY A 299 ? 0.2804 0.1891 0.1654 0.0487 -0.0387 -0.0418 299 GLY A N 4269 C CA A GLY A 299 ? 0.3188 0.1814 0.1925 0.0713 -0.0216 -0.0237 299 GLY A CA 4270 C CA B GLY A 299 ? 0.3289 0.2058 0.1794 0.0627 -0.0122 -0.0350 299 GLY A CA 4271 C C A GLY A 299 ? 0.3645 0.2081 0.1954 0.0808 0.0057 -0.0187 299 GLY A C 4272 C C B GLY A 299 ? 0.3641 0.2205 0.1953 0.0791 0.0071 -0.0198 299 GLY A C 4273 O O A GLY A 299 ? 0.3799 0.2217 0.2024 0.0701 0.0399 -0.0406 299 GLY A O 4274 O O B GLY A 299 ? 0.3786 0.2291 0.2067 0.0636 0.0246 -0.0294 299 GLY A O 4281 N N . ILE A 300 ? 0.3811 0.2225 0.1967 0.1072 0.0076 -0.0060 300 ILE A N 4282 C CA . ILE A 300 ? 0.4167 0.2323 0.1980 0.1229 -0.0045 -0.0010 300 ILE A CA 4283 C C . ILE A 300 ? 0.4187 0.2443 0.2067 0.1272 -0.0109 -0.0035 300 ILE A C 4284 O O . ILE A 300 ? 0.4545 0.2819 0.2133 0.1048 -0.0075 -0.0026 300 ILE A O 4285 C CB . ILE A 300 ? 0.4626 0.2375 0.2364 0.1199 -0.0078 0.0205 300 ILE A CB 4286 C CG1 . ILE A 300 ? 0.4937 0.2491 0.2452 0.1122 -0.0004 0.0220 300 ILE A CG1 4287 C CG2 . ILE A 300 ? 0.4822 0.2416 0.2532 0.1095 0.0128 0.0162 300 ILE A CG2 4288 C CD1 . ILE A 300 ? 0.5114 0.2523 0.2399 0.1091 0.0267 0.0238 300 ILE A CD1 4301 N N . GLY A 301 ? 0.4042 0.2193 0.1935 0.1292 -0.0246 -0.0266 301 GLY A N 4302 C CA . GLY A 301 ? 0.4086 0.2154 0.2178 0.1022 -0.0231 -0.0314 301 GLY A CA 4303 C C . GLY A 301 ? 0.3883 0.1939 0.2113 0.0859 -0.0503 -0.0298 301 GLY A C 4304 O O . GLY A 301 ? 0.4279 0.1935 0.2512 0.0715 -0.0222 -0.0560 301 GLY A O 4308 N N . ILE A 302 ? 0.3431 0.1789 0.1756 0.0723 -0.0684 -0.0179 302 ILE A N 4309 C CA . ILE A 302 ? 0.2991 0.1781 0.1487 0.0529 -0.0935 -0.0145 302 ILE A CA 4310 C C . ILE A 302 ? 0.2070 0.1577 0.1281 0.0422 -0.0868 -0.0087 302 ILE A C 4311 O O . ILE A 302 ? 0.1937 0.1896 0.1365 0.0460 -0.0589 -0.0032 302 ILE A O 4312 C CB . ILE A 302 ? 0.3543 0.2031 0.1945 0.0700 -0.0828 -0.0010 302 ILE A CB 4313 C CG1 . ILE A 302 ? 0.3830 0.2385 0.2140 0.0826 -0.1026 0.0011 302 ILE A CG1 4314 C CG2 . ILE A 302 ? 0.3826 0.1976 0.1855 0.0705 -0.0786 0.0192 302 ILE A CG2 4315 C CD1 . ILE A 302 ? 0.3992 0.2591 0.2380 0.0914 -0.0939 -0.0032 302 ILE A CD1 4327 N N . ASN A 303 ? 0.1637 0.1264 0.1366 0.0184 -0.0700 -0.0032 303 ASN A N 4328 C CA . ASN A 303 ? 0.0955 0.1090 0.1351 -0.0051 -0.0590 0.0042 303 ASN A CA 4329 C C . ASN A 303 ? 0.0853 0.1066 0.1124 -0.0023 -0.0515 0.0027 303 ASN A C 4330 O O . ASN A 303 ? 0.1131 0.1037 0.1295 -0.0112 -0.0531 -0.0035 303 ASN A O 4331 C CB . ASN A 303 ? 0.0931 0.1047 0.1509 -0.0037 -0.0413 0.0153 303 ASN A CB 4332 C CG . ASN A 303 ? 0.0837 0.1102 0.1578 0.0093 -0.0405 0.0231 303 ASN A CG 4333 O OD1 . ASN A 303 ? 0.0873 0.1195 0.1773 -0.0043 -0.0496 0.0288 303 ASN A OD1 4334 N ND2 . ASN A 303 ? 0.0910 0.1125 0.1729 0.0067 -0.0265 0.0336 303 ASN A ND2 4341 N N . ILE A 304 ? 0.0703 0.0987 0.1267 -0.0020 -0.0411 0.0165 304 ILE A N 4342 C CA . ILE A 304 ? 0.0789 0.0976 0.1209 -0.0118 -0.0552 0.0088 304 ILE A CA 4343 C C . ILE A 304 ? 0.0750 0.0935 0.1374 0.0015 -0.0386 0.0024 304 ILE A C 4344 O O . ILE A 304 ? 0.0772 0.0970 0.1343 0.0023 -0.0437 -0.0035 304 ILE A O 4345 C CB . ILE A 304 ? 0.0948 0.1056 0.1266 -0.0020 -0.0446 0.0098 304 ILE A CB 4346 C CG1 . ILE A 304 ? 0.1212 0.1348 0.1231 0.0011 -0.0366 0.0069 304 ILE A CG1 4347 C CG2 . ILE A 304 ? 0.0880 0.1080 0.1362 0.0056 -0.0542 0.0003 304 ILE A CG2 4348 C CD1 . ILE A 304 ? 0.1609 0.1425 0.1373 -0.0087 0.0000 -0.0054 304 ILE A CD1 4360 N N . PHE A 305 ? 0.0623 0.0876 0.1373 -0.0043 -0.0464 0.0009 305 PHE A N 4361 C CA . PHE A 305 ? 0.0618 0.0980 0.1347 -0.0099 -0.0234 -0.0006 305 PHE A CA 4362 C C . PHE A 305 ? 0.0578 0.1027 0.1234 0.0069 -0.0373 0.0051 305 PHE A C 4363 O O . PHE A 305 ? 0.0750 0.1096 0.1286 0.0026 -0.0489 0.0081 305 PHE A O 4364 C CB . PHE A 305 ? 0.0646 0.1141 0.1461 0.0036 -0.0098 -0.0146 305 PHE A CB 4365 C CG . PHE A 305 ? 0.0692 0.1212 0.1498 0.0155 -0.0191 -0.0007 305 PHE A CG 4366 C CD1 . PHE A 305 ? 0.0974 0.1335 0.1736 0.0040 0.0038 0.0163 305 PHE A CD1 4367 C CD2 . PHE A 305 ? 0.0691 0.1255 0.1550 0.0029 -0.0091 0.0109 305 PHE A CD2 4368 C CE1 . PHE A 305 ? 0.0955 0.1395 0.1921 0.0045 0.0133 0.0219 305 PHE A CE1 4369 C CE2 . PHE A 305 ? 0.0659 0.1479 0.1842 0.0051 -0.0171 0.0195 305 PHE A CE2 4370 C CZ . PHE A 305 ? 0.0676 0.1469 0.1955 0.0129 -0.0130 0.0318 305 PHE A CZ 4380 N N . GLY A 306 ? 0.0522 0.1080 0.1360 -0.0079 -0.0306 0.0018 306 GLY A N 4381 C CA . GLY A 306 ? 0.0590 0.1053 0.1374 -0.0061 -0.0358 -0.0003 306 GLY A CA 4382 C C . GLY A 306 ? 0.0448 0.1005 0.1208 -0.0076 -0.0303 -0.0064 306 GLY A C 4383 O O . GLY A 306 ? 0.0531 0.1034 0.1219 0.0014 -0.0312 0.0046 306 GLY A O 4387 N N . ASP A 307 ? 0.0571 0.1015 0.1295 -0.0065 -0.0389 -0.0079 307 ASP A N 4388 C CA . ASP A 307 ? 0.0795 0.1065 0.1152 -0.0055 -0.0411 -0.0106 307 ASP A CA 4389 C C . ASP A 307 ? 0.0765 0.1073 0.1126 0.0134 -0.0395 0.0007 307 ASP A C 4390 O O . ASP A 307 ? 0.0860 0.0966 0.1305 0.0095 -0.0234 0.0002 307 ASP A O 4391 C CB . ASP A 307 ? 0.0797 0.0980 0.1259 -0.0047 -0.0536 0.0011 307 ASP A CB 4392 C CG . ASP A 307 ? 0.0879 0.1175 0.1473 -0.0076 -0.0515 -0.0091 307 ASP A CG 4393 O OD1 . ASP A 307 ? 0.0702 0.1301 0.1359 0.0013 -0.0515 -0.0112 307 ASP A OD1 4394 O OD2 . ASP A 307 ? 0.1106 0.1428 0.1528 -0.0185 -0.0574 -0.0003 307 ASP A OD2 4399 N N . VAL A 308 ? 0.0816 0.1096 0.0957 0.0017 -0.0286 -0.0026 308 VAL A N 4400 C CA . VAL A 308 ? 0.0592 0.1194 0.1108 0.0081 -0.0206 -0.0068 308 VAL A CA 4401 C C . VAL A 308 ? 0.0626 0.1181 0.1114 0.0201 -0.0303 -0.0076 308 VAL A C 4402 O O . VAL A 308 ? 0.1064 0.1140 0.1173 0.0110 -0.0339 -0.0164 308 VAL A O 4403 C CB . VAL A 308 ? 0.0650 0.1346 0.1251 0.0127 -0.0318 0.0026 308 VAL A CB 4404 C CG1 . VAL A 308 ? 0.1036 0.1313 0.1368 0.0203 -0.0364 -0.0010 308 VAL A CG1 4405 C CG2 . VAL A 308 ? 0.0667 0.1249 0.1263 0.0003 -0.0216 0.0001 308 VAL A CG2 4415 N N . ALA A 309 ? 0.0570 0.1136 0.1086 0.0139 -0.0236 -0.0116 309 ALA A N 4416 C CA . ALA A 309 ? 0.0609 0.1024 0.0963 0.0189 -0.0186 -0.0043 309 ALA A CA 4417 C C . ALA A 309 ? 0.0604 0.1027 0.1107 0.0213 -0.0278 -0.0026 309 ALA A C 4418 O O . ALA A 309 ? 0.0796 0.1094 0.1103 0.0231 -0.0253 0.0060 309 ALA A O 4419 C CB . ALA A 309 ? 0.1110 0.1042 0.1038 0.0177 -0.0337 0.0052 309 ALA A CB 4425 N N . LEU A 310 ? 0.0590 0.1006 0.1053 0.0185 -0.0309 0.0123 310 LEU A N 4426 C CA . LEU A 310 ? 0.0606 0.1055 0.1244 0.0077 -0.0337 0.0129 310 LEU A CA 4427 C C . LEU A 310 ? 0.0584 0.0930 0.1382 0.0098 -0.0258 0.0154 310 LEU A C 4428 O O . LEU A 310 ? 0.0613 0.0975 0.1212 0.0138 -0.0352 -0.0052 310 LEU A O 4429 C CB . LEU A 310 ? 0.0723 0.1187 0.1212 0.0151 -0.0392 0.0105 310 LEU A CB 4430 C CG . LEU A 310 ? 0.0948 0.1294 0.1403 0.0109 -0.0582 -0.0033 310 LEU A CG 4431 C CD1 . LEU A 310 ? 0.1288 0.1407 0.1399 0.0080 -0.0489 -0.0089 310 LEU A CD1 4432 C CD2 . LEU A 310 ? 0.1003 0.1310 0.1539 0.0028 -0.0440 -0.0198 310 LEU A CD2 4444 N N A LYS A 311 ? 0.0689 0.0883 0.1236 0.0012 -0.0288 0.0207 311 LYS A N 4445 N N B LYS A 311 ? 0.0562 0.0932 0.1396 -0.0038 -0.0224 0.0153 311 LYS A N 4446 C CA A LYS A 311 ? 0.0756 0.0932 0.1175 0.0019 -0.0312 0.0100 311 LYS A CA 4447 C CA B LYS A 311 ? 0.0532 0.1019 0.1405 -0.0080 -0.0258 0.0019 311 LYS A CA 4448 C C A LYS A 311 ? 0.0679 0.0926 0.1143 0.0069 -0.0405 0.0022 311 LYS A C 4449 C C B LYS A 311 ? 0.0467 0.0979 0.1364 -0.0026 -0.0315 -0.0022 311 LYS A C 4450 O O A LYS A 311 ? 0.0919 0.0895 0.1015 0.0072 -0.0378 -0.0046 311 LYS A O 4451 O O B LYS A 311 ? 0.0438 0.0937 0.1509 -0.0103 -0.0181 -0.0061 311 LYS A O 4452 C CB A LYS A 311 ? 0.0965 0.1060 0.1127 -0.0035 -0.0377 0.0112 311 LYS A CB 4453 C CB B LYS A 311 ? 0.0637 0.1210 0.1447 -0.0094 -0.0319 0.0017 311 LYS A CB 4454 C CG A LYS A 311 ? 0.0780 0.1185 0.0885 -0.0014 -0.0412 0.0141 311 LYS A CG 4455 C CG B LYS A 311 ? 0.0545 0.1412 0.1309 -0.0018 -0.0378 -0.0115 311 LYS A CG 4456 C CD A LYS A 311 ? 0.0902 0.1381 0.0884 -0.0055 -0.0138 0.0054 311 LYS A CD 4457 C CD B LYS A 311 ? 0.0671 0.1619 0.1397 -0.0072 -0.0316 -0.0189 311 LYS A CD 4458 C CE A LYS A 311 ? 0.0806 0.1249 0.0943 -0.0269 -0.0160 -0.0177 311 LYS A CE 4459 C CE B LYS A 311 ? 0.0845 0.1719 0.1365 -0.0168 -0.0193 -0.0302 311 LYS A CE 4460 N NZ A LYS A 311 ? 0.0757 0.1279 0.1090 -0.0301 -0.0262 -0.0149 311 LYS A NZ 4461 N NZ B LYS A 311 ? 0.0831 0.1779 0.1331 -0.0285 -0.0397 -0.0311 311 LYS A NZ 4488 N N . ALA A 312 ? 0.0537 0.0996 0.1209 0.0052 -0.0388 0.0062 312 ALA A N 4489 C CA . ALA A 312 ? 0.0704 0.0933 0.1229 0.0106 -0.0285 -0.0088 312 ALA A CA 4490 C C . ALA A 312 ? 0.0717 0.1110 0.1284 0.0064 -0.0298 -0.0036 312 ALA A C 4491 O O . ALA A 312 ? 0.0814 0.1676 0.1338 0.0157 -0.0118 0.0012 312 ALA A O 4492 C CB . ALA A 312 ? 0.0967 0.1014 0.1351 0.0100 -0.0370 0.0055 312 ALA A CB 4499 N N . ALA A 313 ? 0.0574 0.0984 0.1393 0.0002 -0.0306 0.0019 313 ALA A N 4500 C CA . ALA A 313 ? 0.0599 0.0951 0.1457 0.0036 -0.0249 0.0058 313 ALA A CA 4501 C C . ALA A 313 ? 0.0426 0.0952 0.1493 -0.0130 -0.0144 0.0012 313 ALA A C 4502 O O . ALA A 313 ? 0.0439 0.1052 0.1552 -0.0029 -0.0068 0.0027 313 ALA A O 4503 C CB . ALA A 313 ? 0.0850 0.1037 0.1779 0.0034 -0.0300 0.0288 313 ALA A CB 4509 N N . PHE A 314 ? 0.0487 0.1075 0.1328 0.0022 -0.0157 0.0167 314 PHE A N 4510 C CA . PHE A 314 ? 0.0625 0.1104 0.1267 0.0066 -0.0273 0.0086 314 PHE A CA 4511 C C . PHE A 314 ? 0.0656 0.1057 0.1144 0.0115 -0.0153 0.0125 314 PHE A C 4512 O O . PHE A 314 ? 0.0893 0.1082 0.1161 0.0072 -0.0128 0.0142 314 PHE A O 4513 C CB . PHE A 314 ? 0.0636 0.0971 0.1428 0.0154 -0.0188 0.0109 314 PHE A CB 4514 C CG . PHE A 314 ? 0.0637 0.0978 0.1367 0.0183 -0.0209 0.0006 314 PHE A CG 4515 C CD1 . PHE A 314 ? 0.0756 0.0991 0.1714 0.0249 -0.0169 0.0068 314 PHE A CD1 4516 C CD2 . PHE A 314 ? 0.0734 0.1096 0.1506 0.0098 -0.0299 0.0047 314 PHE A CD2 4517 C CE1 . PHE A 314 ? 0.0922 0.1111 0.1716 0.0269 -0.0183 0.0191 314 PHE A CE1 4518 C CE2 . PHE A 314 ? 0.0927 0.1206 0.1676 0.0214 -0.0474 0.0052 314 PHE A CE2 4519 C CZ . PHE A 314 ? 0.0869 0.1157 0.1705 0.0384 -0.0432 0.0051 314 PHE A CZ 4529 N N . VAL A 315 ? 0.0608 0.0900 0.1265 -0.0041 -0.0225 0.0153 315 VAL A N 4530 C CA . VAL A 315 ? 0.0693 0.1023 0.1170 -0.0017 -0.0316 0.0187 315 VAL A CA 4531 C C . VAL A 315 ? 0.0582 0.1065 0.1212 -0.0007 -0.0206 0.0172 315 VAL A C 4532 O O . VAL A 315 ? 0.0693 0.1114 0.1398 -0.0167 -0.0285 0.0266 315 VAL A O 4533 C CB . VAL A 315 ? 0.0801 0.1128 0.1153 0.0002 -0.0285 0.0164 315 VAL A CB 4534 C CG1 . VAL A 315 ? 0.0937 0.1240 0.1378 0.0104 -0.0369 -0.0066 315 VAL A CG1 4535 C CG2 . VAL A 315 ? 0.0855 0.1155 0.1151 0.0046 -0.0093 0.0198 315 VAL A CG2 4545 N N . VAL A 316 ? 0.0625 0.1010 0.1229 -0.0228 -0.0393 0.0084 316 VAL A N 4546 C CA . VAL A 316 ? 0.0760 0.1042 0.1374 -0.0110 -0.0364 0.0100 316 VAL A CA 4547 C C . VAL A 316 ? 0.0635 0.0959 0.1477 -0.0234 -0.0394 0.0155 316 VAL A C 4548 O O . VAL A 316 ? 0.0960 0.0956 0.1425 -0.0115 -0.0234 0.0181 316 VAL A O 4549 C CB . VAL A 316 ? 0.0629 0.1115 0.1437 0.0026 -0.0293 0.0158 316 VAL A CB 4550 C CG1 . VAL A 316 ? 0.0589 0.1196 0.1704 -0.0086 -0.0275 0.0227 316 VAL A CG1 4551 C CG2 . VAL A 316 ? 0.0824 0.1248 0.1735 0.0091 0.0010 0.0210 316 VAL A CG2 4561 N N . PHE A 317 ? 0.0730 0.0991 0.1355 -0.0084 -0.0300 0.0061 317 PHE A N 4562 C CA . PHE A 317 ? 0.0821 0.0951 0.1168 -0.0112 -0.0264 0.0100 317 PHE A CA 4563 C C . PHE A 317 ? 0.0829 0.1055 0.1269 -0.0152 -0.0278 0.0080 317 PHE A C 4564 O O . PHE A 317 ? 0.0816 0.1112 0.1458 -0.0069 -0.0364 0.0207 317 PHE A O 4565 C CB . PHE A 317 ? 0.0778 0.0876 0.1286 -0.0115 -0.0258 -0.0014 317 PHE A CB 4566 C CG . PHE A 317 ? 0.0783 0.0946 0.1226 -0.0090 -0.0455 0.0098 317 PHE A CG 4567 C CD1 . PHE A 317 ? 0.0880 0.1026 0.1307 -0.0038 -0.0449 0.0110 317 PHE A CD1 4568 C CD2 . PHE A 317 ? 0.0808 0.1113 0.1519 0.0007 -0.0331 0.0217 317 PHE A CD2 4569 C CE1 . PHE A 317 ? 0.0857 0.1145 0.1273 -0.0207 -0.0246 0.0140 317 PHE A CE1 4570 C CE2 . PHE A 317 ? 0.0833 0.1183 0.1696 0.0020 -0.0282 0.0175 317 PHE A CE2 4571 C CZ . PHE A 317 ? 0.0841 0.1208 0.1370 -0.0103 -0.0346 0.0174 317 PHE A CZ 4581 N N . ASN A 318 ? 0.0673 0.1182 0.1388 -0.0117 -0.0352 0.0061 318 ASN A N 4582 C CA . ASN A 318 ? 0.0714 0.1166 0.1831 -0.0039 -0.0408 0.0051 318 ASN A CA 4583 C C . ASN A 318 ? 0.0798 0.1146 0.1779 0.0046 -0.0576 0.0149 318 ASN A C 4584 O O . ASN A 318 ? 0.0994 0.1054 0.1891 0.0005 -0.0599 0.0037 318 ASN A O 4585 C CB . ASN A 318 ? 0.0843 0.1348 0.1854 0.0051 -0.0432 -0.0033 318 ASN A CB 4586 C CG . ASN A 318 ? 0.0912 0.1663 0.2191 -0.0121 -0.0349 0.0268 318 ASN A CG 4587 O OD1 . ASN A 318 ? 0.0898 0.1849 0.2316 -0.0110 -0.0357 0.0204 318 ASN A OD1 4588 N ND2 . ASN A 318 ? 0.1129 0.1757 0.2553 -0.0080 -0.0418 0.0413 318 ASN A ND2 4595 N N . GLY A 319 ? 0.1068 0.1417 0.1728 -0.0075 -0.0750 0.0247 319 GLY A N 4596 C CA . GLY A 319 ? 0.1283 0.1733 0.1996 -0.0221 -0.0755 0.0230 319 GLY A CA 4597 C C . GLY A 319 ? 0.1559 0.1914 0.2273 -0.0283 -0.0762 0.0186 319 GLY A C 4598 O O . GLY A 319 ? 0.1992 0.2107 0.2390 -0.0268 -0.0866 0.0110 319 GLY A O 4602 N N . ALA A 320 ? 0.1296 0.2155 0.2512 -0.0234 -0.0940 0.0113 320 ALA A N 4603 C CA . ALA A 320 ? 0.1455 0.2405 0.2737 -0.0351 -0.1018 0.0008 320 ALA A CA 4604 C C . ALA A 320 ? 0.1700 0.2413 0.2876 -0.0415 -0.1153 -0.0022 320 ALA A C 4605 O O . ALA A 320 ? 0.1882 0.2142 0.2907 -0.0517 -0.1155 -0.0026 320 ALA A O 4606 C CB . ALA A 320 ? 0.1703 0.2613 0.3067 -0.0428 -0.0711 -0.0090 320 ALA A CB 4612 N N . THR A 321 ? 0.1998 0.2654 0.3185 -0.0422 -0.1375 0.0117 321 THR A N 4613 C CA . THR A 321 ? 0.2262 0.2780 0.3510 -0.0506 -0.1533 0.0143 321 THR A CA 4614 C C . THR A 321 ? 0.2127 0.2674 0.3409 -0.0556 -0.1386 -0.0049 321 THR A C 4615 O O . THR A 321 ? 0.2551 0.2834 0.3514 -0.0584 -0.1402 -0.0150 321 THR A O 4616 C CB . THR A 321 ? 0.2627 0.2964 0.3809 -0.0483 -0.1778 0.0177 321 THR A CB 4617 O OG1 . THR A 321 ? 0.2851 0.3203 0.4331 -0.0511 -0.1965 0.0258 321 THR A OG1 4618 C CG2 . THR A 321 ? 0.2862 0.3055 0.3922 -0.0605 -0.1835 0.0058 321 THR A CG2 4626 N N . THR A 322 ? 0.1763 0.2468 0.3194 -0.0492 -0.1189 0.0058 322 THR A N 4627 C CA . THR A 322 ? 0.1609 0.2347 0.3006 -0.0441 -0.1109 0.0169 322 THR A CA 4628 C C . THR A 322 ? 0.1298 0.2091 0.2662 -0.0330 -0.0901 0.0001 322 THR A C 4629 O O . THR A 322 ? 0.1171 0.2249 0.2769 -0.0448 -0.0736 0.0176 322 THR A O 4630 C CB . THR A 322 ? 0.1790 0.2659 0.3510 -0.0621 -0.1183 0.0365 322 THR A CB 4631 O OG1 . THR A 322 ? 0.1949 0.2855 0.3734 -0.0812 -0.1175 0.0273 322 THR A OG1 4632 C CG2 . THR A 322 ? 0.1985 0.2804 0.3984 -0.0680 -0.1052 0.0565 322 THR A CG2 4640 N N . PRO A 323 ? 0.1164 0.1612 0.2369 -0.0159 -0.0743 -0.0218 323 PRO A N 4641 C CA A PRO A 323 ? 0.1033 0.1467 0.2172 -0.0151 -0.0687 -0.0215 323 PRO A CA 4642 C CA B PRO A 323 ? 0.1031 0.1463 0.2051 -0.0183 -0.0704 -0.0171 323 PRO A CA 4643 C C . PRO A 323 ? 0.0888 0.1331 0.2019 -0.0213 -0.0590 -0.0084 323 PRO A C 4644 O O . PRO A 323 ? 0.1046 0.1259 0.2218 -0.0178 -0.0433 -0.0024 323 PRO A O 4645 C CB A PRO A 323 ? 0.1198 0.1466 0.2262 0.0001 -0.0515 -0.0268 323 PRO A CB 4646 C CB B PRO A 323 ? 0.1122 0.1445 0.2063 -0.0117 -0.0708 -0.0156 323 PRO A CB 4647 C CG A PRO A 323 ? 0.1356 0.1543 0.2420 0.0135 -0.0420 -0.0272 323 PRO A CG 4648 C CG B PRO A 323 ? 0.1266 0.1515 0.2182 -0.0100 -0.0658 -0.0115 323 PRO A CG 4649 C CD A PRO A 323 ? 0.1440 0.1587 0.2485 0.0006 -0.0470 -0.0309 323 PRO A CD 4650 C CD B PRO A 323 ? 0.1357 0.1637 0.2351 -0.0093 -0.0687 -0.0193 323 PRO A CD 4664 N N . THR A 324 ? 0.0679 0.1210 0.1823 -0.0183 -0.0414 0.0033 324 THR A N 4665 C CA . THR A 324 ? 0.0672 0.1211 0.1731 -0.0109 -0.0387 0.0072 324 THR A CA 4666 C C . THR A 324 ? 0.0656 0.1169 0.1585 -0.0023 -0.0382 0.0175 324 THR A C 4667 O O . THR A 324 ? 0.0755 0.1255 0.1542 -0.0085 -0.0376 0.0159 324 THR A O 4668 C CB . THR A 324 ? 0.0891 0.1237 0.1921 -0.0187 -0.0259 0.0095 324 THR A CB 4669 O OG1 . THR A 324 ? 0.0909 0.1257 0.2112 -0.0004 -0.0146 0.0160 324 THR A OG1 4670 C CG2 . THR A 324 ? 0.1050 0.1531 0.2095 -0.0325 -0.0179 0.0068 324 THR A CG2 4678 N N . LEU A 325 ? 0.0732 0.1220 0.1594 -0.0038 -0.0326 0.0127 325 LEU A N 4679 C CA A LEU A 325 ? 0.0635 0.1215 0.1520 -0.0001 -0.0434 0.0241 325 LEU A CA 4680 C CA B LEU A 325 ? 0.0817 0.1221 0.1515 -0.0032 -0.0332 0.0241 325 LEU A CA 4681 C C . LEU A 325 ? 0.0849 0.1144 0.1397 -0.0151 -0.0255 0.0199 325 LEU A C 4682 O O . LEU A 325 ? 0.1450 0.1220 0.1600 -0.0379 0.0086 0.0222 325 LEU A O 4683 C CB A LEU A 325 ? 0.0731 0.1148 0.1942 0.0090 -0.0168 0.0258 325 LEU A CB 4684 C CB B LEU A 325 ? 0.1054 0.1261 0.1679 0.0055 -0.0155 0.0332 325 LEU A CB 4685 C CG A LEU A 325 ? 0.0670 0.1170 0.2103 0.0102 -0.0067 0.0032 325 LEU A CG 4686 C CG B LEU A 325 ? 0.1154 0.1264 0.1691 0.0094 -0.0103 0.0361 325 LEU A CG 4687 C CD1 A LEU A 325 ? 0.0724 0.1126 0.2277 0.0241 -0.0003 0.0057 325 LEU A CD1 4688 C CD1 B LEU A 325 ? 0.1160 0.1234 0.1685 0.0093 -0.0112 0.0382 325 LEU A CD1 4689 C CD2 A LEU A 325 ? 0.0605 0.1238 0.2246 0.0046 -0.0006 0.0036 325 LEU A CD2 4690 C CD2 B LEU A 325 ? 0.1239 0.1339 0.1756 0.0109 -0.0063 0.0309 325 LEU A CD2 4713 N N . GLY A 326 ? 0.0819 0.0997 0.1314 -0.0210 -0.0128 0.0151 326 GLY A N 4714 C CA . GLY A 326 ? 0.0767 0.1023 0.1315 -0.0066 -0.0162 0.0217 326 GLY A CA 4715 C C . GLY A 326 ? 0.0624 0.1039 0.1324 -0.0057 -0.0383 0.0277 326 GLY A C 4716 O O . GLY A 326 ? 0.0812 0.1091 0.1551 -0.0296 -0.0295 0.0274 326 GLY A O 4720 N N . PHE A 327 ? 0.0484 0.1051 0.1383 -0.0099 -0.0210 0.0135 327 PHE A N 4721 C CA . PHE A 327 ? 0.0555 0.1011 0.1348 -0.0114 -0.0277 0.0059 327 PHE A CA 4722 C C . PHE A 327 ? 0.0542 0.1039 0.1407 -0.0119 -0.0194 0.0099 327 PHE A C 4723 O O . PHE A 327 ? 0.0801 0.1232 0.1444 -0.0295 -0.0088 0.0115 327 PHE A O 4724 C CB . PHE A 327 ? 0.0622 0.1106 0.1484 0.0059 -0.0305 0.0134 327 PHE A CB 4725 C CG . PHE A 327 ? 0.0711 0.1190 0.1603 0.0187 -0.0310 0.0272 327 PHE A CG 4726 C CD1 . PHE A 327 ? 0.1118 0.1129 0.1777 0.0326 0.0104 0.0338 327 PHE A CD1 4727 C CD2 . PHE A 327 ? 0.0723 0.1194 0.1950 0.0192 -0.0253 0.0315 327 PHE A CD2 4728 C CE1 . PHE A 327 ? 0.1256 0.1192 0.1952 0.0395 0.0032 0.0193 327 PHE A CE1 4729 C CE2 . PHE A 327 ? 0.1054 0.1144 0.2055 0.0300 0.0073 0.0475 327 PHE A CE2 4730 C CZ . PHE A 327 ? 0.1189 0.1187 0.2081 0.0573 0.0191 0.0373 327 PHE A CZ 4740 N N . ALA A 328 ? 0.0493 0.1029 0.1472 -0.0149 -0.0057 -0.0057 328 ALA A N 4741 C CA . ALA A 328 ? 0.0608 0.1211 0.1559 0.0046 -0.0268 0.0011 328 ALA A CA 4742 C C . ALA A 328 ? 0.0555 0.1211 0.1358 -0.0018 -0.0247 0.0008 328 ALA A C 4743 O O . ALA A 328 ? 0.0584 0.1319 0.1267 0.0010 -0.0088 0.0153 328 ALA A O 4744 C CB . ALA A 328 ? 0.0859 0.1143 0.1516 0.0069 -0.0176 -0.0042 328 ALA A CB 4750 N N A SER A 329 ? 0.0765 0.1355 0.1316 -0.0095 -0.0315 0.0002 329 SER A N 4751 N N B SER A 329 ? 0.0876 0.1288 0.1438 -0.0066 -0.0291 0.0016 329 SER A N 4752 C CA A SER A 329 ? 0.0783 0.1490 0.1334 -0.0133 -0.0417 0.0002 329 SER A CA 4753 C CA B SER A 329 ? 0.0771 0.1389 0.1541 -0.0022 -0.0409 0.0066 329 SER A CA 4754 C C A SER A 329 ? 0.0831 0.1492 0.1360 -0.0061 -0.0396 0.0019 329 SER A C 4755 C C B SER A 329 ? 0.0859 0.1484 0.1432 0.0042 -0.0328 0.0005 329 SER A C 4756 O O A SER A 329 ? 0.0839 0.1538 0.1439 -0.0036 -0.0368 0.0000 329 SER A O 4757 O O B SER A 329 ? 0.0917 0.1582 0.1557 0.0201 -0.0043 -0.0032 329 SER A O 4758 C CB A SER A 329 ? 0.0825 0.1622 0.1297 -0.0233 -0.0449 -0.0005 329 SER A CB 4759 C CB B SER A 329 ? 0.0908 0.1412 0.1741 -0.0053 -0.0267 0.0140 329 SER A CB 4760 O OG A SER A 329 ? 0.0900 0.1754 0.1227 -0.0337 -0.0400 -0.0095 329 SER A OG 4761 O OG B SER A 329 ? 0.1102 0.1546 0.1890 0.0120 -0.0256 0.0189 329 SER A OG 4772 N N . LYS A 330 ? 0.0889 0.1439 0.1429 0.0029 -0.0323 0.0053 330 LYS A N 4773 C CA . LYS A 330 ? 0.1027 0.1450 0.1662 -0.0105 -0.0218 -0.0056 330 LYS A CA 4774 C C . LYS A 330 ? 0.1375 0.1545 0.1982 -0.0206 -0.0424 -0.0090 330 LYS A C 4775 O O . LYS A 330 ? 0.1558 0.1775 0.2112 -0.0148 -0.0630 -0.0203 330 LYS A O 4776 C CB . LYS A 330 ? 0.0856 0.1359 0.1608 -0.0082 -0.0197 -0.0052 330 LYS A CB 4777 C CG . LYS A 330 ? 0.0862 0.1323 0.1821 0.0062 0.0025 0.0046 330 LYS A CG 4778 C CD . LYS A 330 ? 0.0887 0.1244 0.1660 0.0099 0.0020 -0.0129 330 LYS A CD 4779 C CE . LYS A 330 ? 0.0941 0.1168 0.1596 0.0084 -0.0202 -0.0038 330 LYS A CE 4780 N NZ . LYS A 330 ? 0.0916 0.0980 0.1737 -0.0061 -0.0093 0.0053 330 LYS A NZ 4781 O OXT . LYS A 330 ? 0.1830 0.1569 0.2197 -0.0202 -0.0436 -0.0050 330 LYS A OXT 4796 C C1 . GOL B . ? 0.3169 0.4304 0.3829 0.0019 -0.0377 0.1502 401 GOL A C1 4797 O O1 . GOL B . ? 0.3415 0.4273 0.3892 0.0165 -0.0338 0.1608 401 GOL A O1 4798 C C2 . GOL B . ? 0.2909 0.4181 0.3690 0.0024 -0.0514 0.1495 401 GOL A C2 4799 O O2 . GOL B . ? 0.2860 0.4212 0.3842 0.0260 -0.0410 0.1567 401 GOL A O2 4800 C C3 . GOL B . ? 0.2534 0.3903 0.3465 -0.0176 -0.0544 0.1458 401 GOL A C3 4801 O O3 . GOL B . ? 0.2120 0.3347 0.2914 -0.0230 -0.0799 0.1611 401 GOL A O3 4802 C C1 . GOL C . ? 0.2506 0.2657 0.3908 0.0485 -0.0361 0.0224 402 GOL A C1 4803 O O1 . GOL C . ? 0.1835 0.2380 0.3459 0.0597 -0.0814 0.0460 402 GOL A O1 4804 C C2 . GOL C . ? 0.2727 0.2667 0.3885 0.0318 -0.0520 0.0098 402 GOL A C2 4805 O O2 . GOL C . ? 0.2848 0.2646 0.3932 0.0307 -0.0515 -0.0048 402 GOL A O2 4806 C C3 . GOL C . ? 0.2906 0.2641 0.3744 0.0154 -0.0555 -0.0034 402 GOL A C3 4807 O O3 . GOL C . ? 0.3161 0.2805 0.3783 0.0089 -0.0659 -0.0099 402 GOL A O3 4808 C C1 . GOL D . ? 0.6595 0.3000 0.8267 -0.0567 0.4002 -0.0712 403 GOL A C1 4809 O O1 . GOL D . ? 0.6141 0.2949 0.7903 -0.0599 0.4098 -0.0742 403 GOL A O1 4810 C C2 . GOL D . ? 0.7019 0.2999 0.8428 -0.0541 0.3677 -0.0680 403 GOL A C2 4811 O O2 . GOL D . ? 0.7132 0.3031 0.8479 -0.0489 0.3585 -0.0667 403 GOL A O2 4812 C C3 . GOL D . ? 0.7165 0.3069 0.8450 -0.0595 0.3424 -0.0626 403 GOL A C3 4813 O O3 . GOL D . ? 0.7364 0.3246 0.8485 -0.0549 0.3305 -0.0565 403 GOL A O3 4814 C C1 . GOL E . ? 0.1968 0.2079 0.2634 0.0060 -0.0151 -0.0275 404 GOL A C1 4815 O O1 . GOL E . ? 0.1543 0.1930 0.2006 -0.0109 -0.0419 -0.0546 404 GOL A O1 4816 C C2 . GOL E . ? 0.2327 0.2008 0.2712 0.0163 -0.0097 -0.0041 404 GOL A C2 4817 O O2 . GOL E . ? 0.2496 0.2004 0.2540 0.0408 0.0048 0.0110 404 GOL A O2 4818 C C3 . GOL E . ? 0.2590 0.2313 0.2954 0.0190 -0.0062 -0.0294 404 GOL A C3 4819 O O3 . GOL E . ? 0.2781 0.2477 0.3273 0.0187 -0.0040 -0.0327 404 GOL A O3 4820 C C . ACT F . ? 0.1802 0.2934 0.3669 -0.0184 -0.0443 -0.0447 405 ACT A C 4821 O O . ACT F . ? 0.1875 0.2971 0.3862 -0.0252 -0.0247 -0.0498 405 ACT A O 4822 O OXT . ACT F . ? 0.1669 0.2902 0.3595 -0.0310 -0.0646 -0.0428 405 ACT A OXT 4823 C CH3 . ACT F . ? 0.1816 0.2872 0.3314 0.0125 -0.0528 -0.0486 405 ACT A CH3 4824 C C . ACT G . ? 0.3607 0.8676 0.3318 -0.0192 0.0532 0.2001 406 ACT A C 4825 O O . ACT G . ? 0.3437 0.8541 0.3214 -0.0191 0.0431 0.2063 406 ACT A O 4826 O OXT . ACT G . ? 0.3602 0.8593 0.3303 -0.0165 0.0650 0.1959 406 ACT A OXT 4827 C CH3 . ACT G . ? 0.4004 0.8755 0.3500 -0.0181 0.0673 0.1898 406 ACT A CH3 4828 S S . DMS H . ? 1.1007 0.6780 0.5701 0.1168 -0.0277 0.2385 407 DMS A S 4829 O O . DMS H . ? 1.0961 0.6721 0.5659 0.1137 -0.0331 0.2388 407 DMS A O 4830 C C1 . DMS H . ? 1.0995 0.6777 0.5710 0.1197 -0.0297 0.2368 407 DMS A C1 4831 C C2 . DMS H . ? 1.0992 0.6772 0.5727 0.1169 -0.0277 0.2388 407 DMS A C2 4832 S S . DMS I . ? 0.3297 0.2411 0.4173 0.0738 -0.1095 -0.0113 408 DMS A S 4833 O O . DMS I . ? 0.2563 0.1919 0.3318 0.0607 -0.1554 -0.0212 408 DMS A O 4834 C C1 . DMS I . ? 0.3321 0.2393 0.4191 0.0782 -0.1260 -0.0182 408 DMS A C1 4835 C C2 . DMS I . ? 0.3226 0.2448 0.4193 0.0761 -0.1284 0.0073 408 DMS A C2 4836 S S . DMS J . ? 0.2951 0.3406 0.2829 0.1007 -0.0187 0.0539 409 DMS A S 4837 O O . DMS J . ? 0.1959 0.2759 0.1574 0.0820 -0.0434 0.0566 409 DMS A O 4838 C C1 . DMS J . ? 0.3106 0.3548 0.2964 0.1041 -0.0087 0.0514 409 DMS A C1 4839 C C2 . DMS J . ? 0.2841 0.3427 0.2703 0.1106 -0.0417 0.0530 409 DMS A C2 4840 S S . DMS K . ? 0.7263 1.1298 0.4713 0.0570 0.1570 0.0168 410 DMS A S 4841 O O . DMS K . ? 0.7272 1.1290 0.4730 0.0628 0.1511 0.0218 410 DMS A O 4842 C C1 . DMS K . ? 0.7275 1.1302 0.4679 0.0575 0.1501 0.0135 410 DMS A C1 4843 C C2 . DMS K . ? 0.7206 1.1273 0.4627 0.0609 0.1514 0.0150 410 DMS A C2 4844 N N1 A CFF L . ? 0.4135 0.4896 0.3790 -0.0269 0.0873 0.2095 411 CFF A N1 4845 N N1 B CFF L . ? 0.3894 0.5262 0.3836 0.0944 0.1231 0.0500 411 CFF A N1 4846 C C2 A CFF L . ? 0.4189 0.4904 0.3856 -0.0287 0.0857 0.2013 411 CFF A C2 4847 C C2 B CFF L . ? 0.3820 0.5254 0.3758 0.0936 0.1222 0.0494 411 CFF A C2 4848 C C10 A CFF L . ? 0.4153 0.4888 0.3771 -0.0250 0.0853 0.2097 411 CFF A C10 4849 C C10 B CFF L . ? 0.3895 0.5236 0.3783 0.0957 0.1287 0.0487 411 CFF A C10 4850 C C6 A CFF L . ? 0.4099 0.4906 0.3818 -0.0293 0.0962 0.2132 411 CFF A C6 4851 C C6 B CFF L . ? 0.3981 0.5293 0.3943 0.0906 0.1194 0.0522 411 CFF A C6 4852 N N3 A CFF L . ? 0.4193 0.4900 0.3899 -0.0311 0.0944 0.2027 411 CFF A N3 4853 N N3 B CFF L . ? 0.3765 0.5262 0.3778 0.0914 0.1223 0.0523 411 CFF A N3 4854 O O11 A CFF L . ? 0.4232 0.4903 0.3933 -0.0286 0.0801 0.1939 411 CFF A O11 4855 O O11 B CFF L . ? 0.3806 0.5229 0.3734 0.0962 0.1213 0.0458 411 CFF A O11 4856 C C12 A CFF L . ? 0.4188 0.4878 0.3901 -0.0301 0.0950 0.2007 411 CFF A C12 4857 C C12 B CFF L . ? 0.3688 0.5248 0.3799 0.0901 0.1251 0.0533 411 CFF A C12 4858 C C4 A CFF L . ? 0.4176 0.4900 0.3898 -0.0359 0.1030 0.2099 411 CFF A C4 4859 C C4 B CFF L . ? 0.3824 0.5286 0.3843 0.0914 0.1233 0.0540 411 CFF A C4 4860 C C5 A CFF L . ? 0.4137 0.4910 0.3867 -0.0333 0.1059 0.2133 411 CFF A C5 4861 C C5 B CFF L . ? 0.3892 0.5302 0.3916 0.0905 0.1222 0.0553 411 CFF A C5 4862 N N9 A CFF L . ? 0.4209 0.4887 0.3886 -0.0409 0.1138 0.2142 411 CFF A N9 4863 N N9 B CFF L . ? 0.3845 0.5291 0.3873 0.0897 0.1236 0.0554 411 CFF A N9 4864 O O13 A CFF L . ? 0.4027 0.4905 0.3798 -0.0260 0.0937 0.2185 411 CFF A O13 4865 O O13 B CFF L . ? 0.4142 0.5314 0.4004 0.0879 0.1232 0.0538 411 CFF A O13 4866 N N7 A CFF L . ? 0.4206 0.4908 0.3888 -0.0352 0.1145 0.2134 411 CFF A N7 4867 N N7 B CFF L . ? 0.3961 0.5314 0.3925 0.0898 0.1277 0.0587 411 CFF A N7 4868 C C8 A CFF L . ? 0.4191 0.4872 0.3871 -0.0384 0.1145 0.2136 411 CFF A C8 4869 C C8 B CFF L . ? 0.3905 0.5298 0.3900 0.0916 0.1259 0.0582 411 CFF A C8 4870 C C14 A CFF L . ? 0.4234 0.4903 0.3876 -0.0290 0.1171 0.2145 411 CFF A C14 4871 C C14 B CFF L . ? 0.3979 0.5320 0.3901 0.0925 0.1271 0.0638 411 CFF A C14 4872 O O . HOH M . ? 0.1788 0.2130 0.2164 0.0575 0.0056 0.0246 501 HOH A O 4873 O O . HOH M . ? 0.4602 0.2698 0.5897 0.0869 -0.1927 -0.0980 509 HOH A O 4874 O O . HOH M . ? 0.4829 0.7164 0.9380 0.2770 0.1196 -0.0348 520 HOH A O 4875 O O . HOH M . ? 0.6208 0.5837 0.3787 0.1010 0.0711 0.1836 533 HOH A O 4876 O O . HOH M . ? 0.4025 0.9190 0.4577 0.0361 0.1409 -0.0706 538 HOH A O 4877 O O A HOH M . ? 0.1894 0.2769 0.4263 0.0257 0.0104 -0.0957 568 HOH A O 4878 O O B HOH M . ? 0.3188 0.3931 0.5522 0.0074 -0.0571 0.1437 568 HOH A O 4879 O O . HOH M . ? 0.1288 0.1392 0.2072 0.0060 -0.0287 0.0525 569 HOH A O 4880 O O . HOH M . ? 0.0973 0.1181 0.1769 -0.0095 -0.0311 -0.0160 582 HOH A O 4881 O O . HOH M . ? 0.1291 0.1802 0.1698 -0.0131 -0.0464 0.0292 588 HOH A O 4882 O O . HOH M . ? 0.1041 0.1541 0.1423 0.0023 -0.0358 -0.0063 589 HOH A O 4883 O O . HOH M . ? 0.5302 0.5146 0.6635 0.1342 0.1692 -0.0307 594 HOH A O 4884 O O . HOH M . ? 0.0882 0.1211 0.1578 0.0025 -0.0331 0.0047 612 HOH A O 4885 O O . HOH M . ? 0.1395 0.1477 0.1538 0.0220 -0.0205 0.0002 621 HOH A O 4886 O O . HOH M . ? 0.1256 0.1310 0.1592 -0.0108 -0.0435 0.0088 629 HOH A O 4887 O O . HOH M . ? 0.0933 0.1093 0.1293 0.0043 -0.0242 0.0032 638 HOH A O 4888 O O A HOH M . ? 0.5021 0.2644 0.2430 0.1144 -0.1244 -0.0257 674 HOH A O 4889 O O B HOH M . ? 0.2495 0.5334 0.2022 0.1544 0.0146 0.0979 674 HOH A O 4890 O O . HOH M . ? 0.4024 0.5775 0.5942 0.2074 0.1902 0.3175 677 HOH A O 4891 O O . HOH M . ? 0.3704 0.2893 0.3938 -0.0386 -0.1023 0.0596 678 HOH A O 4892 O O . HOH M . ? 0.2776 0.4031 0.3310 0.0851 0.0356 0.0975 686 HOH A O 4893 O O . HOH M . ? 0.0966 0.0991 0.1340 -0.0070 -0.0350 -0.0050 690 HOH A O 4894 O O . HOH M . ? 0.2738 0.4182 0.2390 0.0732 -0.0539 -0.0240 696 HOH A O 4895 O O . HOH M . ? 0.5650 0.8021 0.7284 0.2412 0.1961 0.2270 714 HOH A O 4896 O O . HOH M . ? 0.0968 0.1085 0.1730 0.0083 -0.0531 -0.0057 731 HOH A O 4897 O O . HOH M . ? 0.0935 0.1773 0.2211 -0.0073 -0.0648 0.0359 733 HOH A O 4898 O O . HOH M . ? 0.1564 0.1358 0.1842 -0.0209 -0.0292 -0.0148 738 HOH A O 4899 O O . HOH M . ? 0.1454 0.2940 0.4578 0.0488 0.0184 0.1135 744 HOH A O 4900 O O . HOH M . ? 0.3184 0.2252 0.2288 0.1286 0.0239 0.0723 747 HOH A O 4901 O O . HOH M . ? 0.1002 0.1395 0.1444 -0.0027 -0.0408 -0.0133 748 HOH A O 4902 O O . HOH M . ? 0.1124 0.1618 0.1592 0.0142 -0.0159 -0.0228 760 HOH A O 4903 O O . HOH M . ? 0.1798 0.3446 0.3212 -0.0531 -0.0407 -0.0712 775 HOH A O 4904 O O . HOH M . ? 0.2644 0.3554 0.3170 0.0789 -0.0622 0.0437 786 HOH A O 4905 O O . HOH M . ? 0.5959 0.3677 0.2815 0.1685 -0.1864 -0.0681 787 HOH A O 4906 O O A HOH M . ? 0.6066 0.2293 0.3867 0.0603 -0.1778 -0.0269 797 HOH A O 4907 O O B HOH M . ? 0.3152 0.4247 0.2640 0.0240 -0.0968 -0.0272 797 HOH A O 4908 O O . HOH M . ? 0.0658 0.1077 0.1630 -0.0097 -0.0265 0.0218 798 HOH A O 4909 O O . HOH M . ? 0.3001 0.4023 0.3298 0.1082 -0.1080 -0.1250 804 HOH A O 4910 O O . HOH M . ? 0.1086 0.1375 0.1241 0.0027 -0.0262 -0.0155 807 HOH A O 4911 O O . HOH M . ? 0.1525 0.2374 0.1945 0.0086 -0.0261 -0.0142 813 HOH A O 4912 O O . HOH M . ? 0.4448 0.3894 0.6814 0.1453 -0.0587 -0.1050 817 HOH A O 4913 O O . HOH M . ? 0.1905 0.3078 0.4391 -0.0918 0.0486 -0.1385 819 HOH A O 4914 O O . HOH M . ? 0.2839 0.4966 0.2492 -0.1155 -0.0638 0.1181 826 HOH A O 4915 O O . HOH M . ? 0.1650 0.3260 0.2602 0.0671 -0.0454 -0.0532 830 HOH A O 4916 O O . HOH M . ? 0.2648 0.2271 0.4601 -0.0100 -0.0273 -0.0746 835 HOH A O 4917 O O . HOH M . ? 0.3125 0.3059 0.4410 0.0884 -0.0443 -0.0154 852 HOH A O 4918 O O . HOH M . ? 0.4238 0.6221 0.9275 0.0522 -0.1777 -0.3956 858 HOH A O 4919 O O . HOH M . ? 0.3328 0.3311 0.3191 -0.0449 -0.1482 0.0221 864 HOH A O 4920 O O . HOH M . ? 0.4147 0.2500 0.3726 -0.0458 -0.2294 0.0641 867 HOH A O 4921 O O . HOH M . ? 0.5463 0.4438 0.6684 0.1616 -0.0549 -0.1151 875 HOH A O 4922 O O . HOH M . ? 0.3980 0.1797 0.4439 0.0392 0.0253 0.0369 877 HOH A O 4923 O O . HOH M . ? 0.2460 0.2359 0.6196 0.0540 -0.1088 0.0281 881 HOH A O 4924 O O . HOH M . ? 0.5001 0.4199 0.5152 0.1061 -0.2923 -0.1190 883 HOH A O 4925 O O . HOH M . ? 0.4637 0.4480 0.3782 -0.0596 -0.1227 0.0522 895 HOH A O 4926 O O . HOH M . ? 0.4241 0.4057 0.2782 -0.0136 0.0696 0.0383 896 HOH A O 4927 O O . HOH M . ? 0.2128 0.0981 0.1967 0.0285 0.0170 0.0237 897 HOH A O 4928 O O . HOH M . ? 0.3885 0.8083 0.6237 -0.0836 -0.1275 0.3893 899 HOH A O 4929 O O . HOH M . ? 0.2360 0.3583 0.2955 0.0882 0.0380 -0.0092 905 HOH A O 4930 O O . HOH M . ? 0.6752 0.4577 0.7512 -0.0230 0.0627 0.1085 913 HOH A O 4931 O O . HOH M . ? 0.6709 0.3545 0.5769 0.1241 -0.3352 -0.0910 914 HOH A O 4932 O O . HOH M . ? 0.0790 0.1149 0.2177 0.0076 -0.0357 -0.0301 925 HOH A O 4933 O O . HOH M . ? 0.2176 0.1783 0.2048 -0.0520 -0.0695 0.0272 932 HOH A O 4934 O O . HOH M . ? 0.2477 0.3061 0.4573 0.1073 -0.1168 -0.1445 938 HOH A O 4935 O O . HOH M . ? 0.3244 0.1705 0.4786 0.0110 -0.2123 0.0121 948 HOH A O 4936 O O . HOH M . ? 0.4390 0.3058 0.6307 0.0016 -0.3062 -0.0014 950 HOH A O 4937 O O . HOH M . ? 0.0702 0.1219 0.1652 -0.0192 -0.0341 -0.0121 955 HOH A O 4938 O O . HOH M . ? 0.5745 0.4666 0.3604 -0.2726 0.0052 -0.0752 959 HOH A O 4939 O O . HOH M . ? 0.3345 0.1414 0.3434 0.0715 -0.0565 0.0246 970 HOH A O 4940 O O . HOH M . ? 0.0979 0.1206 0.1875 -0.0128 -0.0244 -0.0141 971 HOH A O 4941 O O . HOH M . ? 0.1212 0.1479 0.1571 -0.0023 -0.0308 0.0216 978 HOH A O 4942 O O . HOH M . ? 0.1224 0.2491 0.2562 0.0140 -0.0451 -0.0293 988 HOH A O 4943 O O . HOH M . ? 0.0943 0.1205 0.1756 0.0009 -0.0237 0.0152 992 HOH A O 4944 O O . HOH M . ? 0.3806 0.2499 0.5887 0.0341 -0.2649 -0.0751 995 HOH A O 4945 O O . HOH M . ? 0.2785 0.4030 0.3066 -0.1603 -0.0910 -0.0105 996 HOH A O 4946 O O A HOH M . ? 0.1312 0.2909 0.2405 0.0215 -0.0861 -0.0407 997 HOH A O 4947 O O B HOH M . ? 0.2940 0.6061 0.4704 0.0354 0.0313 0.2012 997 HOH A O 4948 O O . HOH M . ? 0.3397 0.4083 0.6856 -0.1106 -0.0431 -0.1066 1005 HOH A O 4949 O O . HOH M . ? 0.1476 0.3109 0.1681 -0.0394 -0.0386 0.0035 1010 HOH A O 4950 O O . HOH M . ? 0.3165 0.3116 0.3101 0.0592 0.0048 0.0199 1014 HOH A O 4951 O O . HOH M . ? 0.6592 0.3567 0.4024 0.0938 -0.0339 0.0225 1015 HOH A O 4952 O O A HOH M . ? 0.1730 0.2718 0.2387 0.0739 -0.0986 -0.0823 1026 HOH A O 4953 O O B HOH M . ? 0.2795 0.1234 0.2885 -0.0031 -0.0955 -0.0600 1026 HOH A O 4954 O O . HOH M . ? 0.3334 0.3954 0.6250 0.0474 -0.2437 -0.0487 1030 HOH A O 4955 O O . HOH M . ? 0.1556 0.1252 0.1368 -0.0128 -0.0302 0.0386 1038 HOH A O 4956 O O . HOH M . ? 0.5113 0.7433 0.4389 -0.1654 -0.1669 0.1877 1046 HOH A O 4957 O O . HOH M . ? 0.1294 0.1087 0.3181 0.0093 -0.0530 0.0221 1058 HOH A O 4958 O O . HOH M . ? 0.2528 0.1850 0.2999 0.0975 -0.1239 -0.0701 1070 HOH A O 4959 O O . HOH M . ? 0.2057 0.2127 0.3234 -0.0133 -0.0656 0.0752 1071 HOH A O 4960 O O . HOH M . ? 0.6755 0.3296 0.4454 -0.1078 -0.1552 -0.1080 1079 HOH A O 4961 O O . HOH M . ? 0.1667 0.1805 0.1940 0.0214 -0.0495 0.0002 1081 HOH A O 4962 O O . HOH M . ? 0.4855 0.2030 0.3444 0.0480 0.0079 0.0266 1089 HOH A O 4963 O O . HOH M . ? 0.2697 0.2825 0.3132 -0.0186 -0.0609 -0.0420 1092 HOH A O 4964 O O . HOH M . ? 0.2211 0.3544 0.3255 0.0233 -0.0356 -0.0267 1095 HOH A O 4965 O O . HOH M . ? 0.3036 0.3252 0.8562 0.0889 -0.1069 -0.0936 1096 HOH A O 4966 O O . HOH M . ? 0.6024 0.2542 0.5467 0.0548 -0.3247 -0.0190 1101 HOH A O 4967 O O . HOH M . ? 0.4423 0.7150 0.8313 0.1247 -0.3035 -0.1389 1102 HOH A O 4968 O O . HOH M . ? 0.1090 0.1374 0.1821 -0.0048 -0.0351 0.0138 1107 HOH A O 4969 O O . HOH M . ? 0.3873 0.2892 0.4281 -0.0661 -0.1320 -0.0523 1109 HOH A O 4970 O O . HOH M . ? 0.1087 0.1312 0.1557 0.0145 -0.0329 -0.0028 1110 HOH A O 4971 O O . HOH M . ? 0.1199 0.2137 0.2770 -0.0371 -0.0597 0.0433 1111 HOH A O 4972 O O . HOH M . ? 0.1023 0.2159 0.2217 -0.0067 -0.0429 0.0988 1115 HOH A O 4973 O O . HOH M . ? 0.3199 0.6546 0.4453 0.1867 -0.1319 -0.2943 1118 HOH A O 4974 O O . HOH M . ? 0.0847 0.1066 0.1442 -0.0147 -0.0200 -0.0040 1124 HOH A O 4975 O O . HOH M . ? 0.7044 0.4355 0.5054 0.1095 -0.1066 0.0557 1140 HOH A O 4976 O O . HOH M . ? 0.5076 0.5754 0.2949 0.2853 -0.1303 -0.1571 1141 HOH A O 4977 O O . HOH M . ? 0.2668 0.1899 0.1926 -0.0149 -0.0135 0.0016 1149 HOH A O 4978 O O A HOH M . ? 0.5993 0.2758 0.2143 -0.1963 -0.0250 -0.0105 1150 HOH A O 4979 O O B HOH M . ? 0.6132 0.4181 0.2916 0.0725 0.0605 -0.1655 1150 HOH A O 4980 O O . HOH M . ? 0.7109 0.5265 0.4609 0.1782 0.2555 0.1835 1151 HOH A O 4981 O O . HOH M . ? 0.5113 0.2422 0.3515 -0.0518 0.0329 -0.0071 1161 HOH A O 4982 O O A HOH M . ? 0.2001 0.2545 0.5311 -0.0085 0.0532 0.1675 1167 HOH A O 4983 O O B HOH M . ? 0.1310 0.2013 0.0965 0.0544 -0.0193 0.0408 1167 HOH A O 4984 O O . HOH M . ? 0.2612 0.2559 0.4228 -0.0408 -0.0118 -0.0664 1172 HOH A O 4985 O O . HOH M . ? 0.2523 0.4898 0.2921 -0.1816 -0.0448 0.0845 1173 HOH A O 4986 O O . HOH M . ? 0.0861 0.1151 0.1640 0.0037 -0.0215 0.0116 1180 HOH A O 4987 O O . HOH M . ? 0.7198 0.2849 0.9931 -0.0279 -0.1000 0.1285 1188 HOH A O 4988 O O . HOH M . ? 0.1884 0.2042 0.4368 -0.0523 -0.0599 0.0834 1190 HOH A O 4989 O O . HOH M . ? 0.2289 0.1545 0.2373 -0.0665 -0.0630 0.0452 1207 HOH A O 4990 O O . HOH M . ? 0.1477 0.1625 0.1534 -0.0166 -0.0233 0.0072 1210 HOH A O 4991 O O . HOH M . ? 0.1125 0.1133 0.1161 -0.0225 -0.0201 0.0011 1220 HOH A O 4992 O O . HOH M . ? 0.6687 0.3454 0.2755 -0.2497 -0.0813 0.0239 1221 HOH A O 4993 O O . HOH M . ? 0.2037 0.2624 0.4355 -0.0458 -0.1153 0.0443 1223 HOH A O 4994 O O . HOH M . ? 0.2193 0.4820 0.2021 0.1242 -0.0564 -0.0690 1226 HOH A O 4995 O O A HOH M . ? 0.4315 0.1507 0.2173 0.0743 0.0711 0.0026 1227 HOH A O 4996 O O B HOH M . ? 0.2210 0.2322 0.4092 -0.0950 -0.1124 0.0693 1227 HOH A O 4997 O O . HOH M . ? 1.1000 0.5385 0.4122 -0.1275 -0.2399 0.0458 1228 HOH A O 4998 O O . HOH M . ? 0.1675 0.2970 0.1784 -0.0069 -0.0598 0.0638 1236 HOH A O 4999 O O . HOH M . ? 0.2679 0.4008 0.3111 -0.1835 0.0457 -0.0674 1237 HOH A O 5000 O O . HOH M . ? 0.2043 0.3438 0.2203 -0.0751 -0.0346 0.0069 1244 HOH A O 5001 O O . HOH M . ? 0.1626 0.2587 0.3641 -0.0065 -0.0519 0.0790 1260 HOH A O 5002 O O . HOH M . ? 0.1603 0.2177 0.1749 -0.0368 -0.0167 -0.0282 1282 HOH A O 5003 O O . HOH M . ? 0.7049 0.3951 0.3714 0.1462 0.2441 0.0493 1286 HOH A O 5004 O O . HOH M . ? 0.1381 0.3749 0.3319 -0.0226 -0.0591 -0.0648 1290 HOH A O 5005 O O . HOH M . ? 0.3205 0.2477 0.2318 -0.1512 -0.0018 0.0432 1292 HOH A O 5006 O O . HOH M . ? 0.2439 0.6844 0.5025 -0.0632 -0.0763 -0.1697 1299 HOH A O 5007 O O . HOH M . ? 0.1906 0.4160 0.4966 0.0621 0.0573 0.2249 1302 HOH A O 5008 O O . HOH M . ? 0.1584 0.1387 0.1797 0.0244 -0.0298 -0.0086 1304 HOH A O 5009 O O . HOH M . ? 0.4277 0.5853 0.3257 -0.0902 0.0244 -0.0284 1306 HOH A O 5010 O O A HOH M . ? 0.5382 0.3208 0.3086 0.1742 0.0510 -0.0697 1311 HOH A O 5011 O O B HOH M . ? 0.5292 0.2486 0.5547 0.0217 -0.1241 -0.0265 1311 HOH A O 5012 O O . HOH M . ? 0.2660 0.3062 0.3421 -0.0066 -0.0050 0.0111 1316 HOH A O 5013 O O . HOH M . ? 0.2983 0.5137 0.5189 0.0043 -0.0784 0.2296 1317 HOH A O 5014 O O . HOH M . ? 0.0853 0.2962 0.2345 0.0037 -0.0111 -0.0121 1329 HOH A O 5015 O O . HOH M . ? 0.1178 0.1233 0.2470 0.0278 -0.0334 0.0069 1340 HOH A O 5016 O O . HOH M . ? 0.5691 0.4449 0.6105 -0.1884 -0.1691 -0.1514 1345 HOH A O 5017 O O . HOH M . ? 0.4414 0.5161 0.5918 -0.1416 0.1298 -0.2827 1346 HOH A O 5018 O O . HOH M . ? 0.3705 0.2590 0.2168 -0.0505 -0.0525 0.0711 1349 HOH A O 5019 O O . HOH M . ? 0.3485 0.2233 0.7527 -0.0175 -0.2591 0.0373 1355 HOH A O 5020 O O . HOH M . ? 0.2924 0.2332 0.3448 -0.0109 -0.0715 -0.0503 1359 HOH A O 5021 O O . HOH M . ? 0.6051 0.2562 0.6024 0.0793 -0.1349 -0.0521 1361 HOH A O 5022 O O . HOH M . ? 0.1297 0.1809 0.1724 -0.0066 -0.0148 -0.0111 1365 HOH A O 5023 O O . HOH M . ? 0.2995 0.4768 0.6229 0.0493 -0.0693 -0.3189 1369 HOH A O 5024 O O A HOH M . ? 0.3574 0.3782 0.4239 -0.0662 -0.1850 -0.0983 1381 HOH A O 5025 O O B HOH M . ? 0.4761 0.3964 0.6166 -0.0673 -0.2869 0.0866 1381 HOH A O 5026 O O . HOH M . ? 0.2448 0.3195 0.2165 0.1037 -0.0626 -0.0713 1384 HOH A O 5027 O O A HOH M . ? 0.1146 0.2979 0.3817 -0.0236 -0.0602 -0.0068 1385 HOH A O 5028 O O C HOH M . ? 0.1440 0.3851 0.1722 0.0295 0.0424 0.0321 1385 HOH A O 5029 O O . HOH M . ? 0.2553 0.6457 0.4603 0.0961 -0.0165 0.2303 1391 HOH A O 5030 O O . HOH M . ? 0.3768 0.2767 0.3278 0.0831 -0.0251 -0.0241 1394 HOH A O 5031 O O . HOH M . ? 0.1497 0.1681 0.1475 0.0134 -0.0413 -0.0375 1401 HOH A O 5032 O O . HOH M . ? 0.2309 0.8495 0.4638 -0.0678 -0.0494 0.0282 1407 HOH A O 5033 O O . HOH M . ? 0.6087 0.2956 0.6271 -0.1259 0.3441 -0.1164 1410 HOH A O 5034 O O . HOH M . ? 0.1966 0.4063 0.5360 -0.0969 -0.0019 0.1199 1417 HOH A O 5035 O O . HOH M . ? 0.2507 0.4435 0.4741 -0.0954 0.0449 0.0041 1419 HOH A O 5036 O O . HOH M . ? 0.1851 0.6011 0.3052 0.0072 -0.0266 -0.1130 1421 HOH A O 5037 O O . HOH M . ? 0.1466 0.2563 0.1628 0.0269 -0.0437 -0.0497 1441 HOH A O 5038 O O . HOH M . ? 0.4472 0.5453 0.3329 -0.0620 0.0964 0.1225 1450 HOH A O 5039 O O . HOH M . ? 0.2397 0.3637 0.6966 -0.0562 0.1383 0.0057 1459 HOH A O 5040 O O . HOH M . ? 0.2209 0.2758 0.2382 0.0222 0.0218 0.0181 1461 HOH A O 5041 O O . HOH M . ? 0.3852 0.2731 0.2705 -0.0245 -0.0258 0.1372 1463 HOH A O 5042 O O . HOH M . ? 0.1689 0.2433 0.2083 -0.0004 0.0345 0.0234 1475 HOH A O 5043 O O A HOH M . ? 0.1528 0.1510 0.2919 -0.0456 0.0050 -0.0301 1485 HOH A O 5044 O O B HOH M . ? 0.2205 0.3872 0.5062 0.0512 0.0724 0.0122 1485 HOH A O 5045 O O . HOH M . ? 0.2152 0.3889 0.6044 0.0632 0.0824 0.2389 1486 HOH A O 5046 O O . HOH M . ? 0.2684 0.7929 0.6357 -0.1202 -0.0235 -0.0845 1488 HOH A O 5047 O O . HOH M . ? 0.4157 0.2195 0.5767 0.0225 -0.2844 -0.0390 1495 HOH A O 5048 O O . HOH M . ? 0.4031 0.7655 0.3918 0.2829 -0.0467 -0.1490 1503 HOH A O 5049 O O A HOH M . ? 0.3265 0.2077 0.3496 -0.1085 -0.0043 0.0314 1508 HOH A O 5050 O O B HOH M . ? 0.3247 0.3098 0.2059 -0.0698 0.0211 -0.0128 1508 HOH A O 5051 O O . HOH M . ? 0.2230 0.1962 0.1866 0.0053 -0.0293 0.0102 1515 HOH A O 5052 O O . HOH M . ? 0.7994 0.4391 0.4464 -0.0938 -0.3198 0.0138 1516 HOH A O 5053 O O . HOH M . ? 0.3978 0.2859 0.7158 -0.0843 0.0036 -0.1726 1523 HOH A O 5054 O O . HOH M . ? 0.5943 0.3788 0.8282 -0.1849 0.1892 -0.1940 1534 HOH A O 5055 O O . HOH M . ? 0.3689 0.1659 0.2032 -0.0954 -0.0470 0.0430 1535 HOH A O 5056 O O . HOH M . ? 0.2660 0.2616 0.3441 -0.0290 -0.1084 0.0408 1538 HOH A O 5057 O O . HOH M . ? 0.3757 0.4072 0.4081 -0.1160 0.0526 -0.0103 1540 HOH A O 5058 O O . HOH M . ? 0.3890 0.2298 0.5914 0.1002 -0.1534 -0.0042 1547 HOH A O 5059 O O . HOH M . ? 0.5741 0.8674 0.2985 0.1163 0.0283 -0.0691 1550 HOH A O 5060 O O . HOH M . ? 0.7088 0.2004 0.3590 0.0680 -0.0896 -0.0432 1555 HOH A O 5061 O O . HOH M . ? 0.1663 0.5010 0.3938 -0.0660 -0.0499 -0.0578 1562 HOH A O 5062 O O . HOH M . ? 0.2111 0.4187 0.5622 -0.0792 -0.1127 0.1119 1566 HOH A O 5063 O O . HOH M . ? 0.5348 0.3841 0.7565 -0.1521 0.3512 -0.1921 1567 HOH A O 5064 O O . HOH M . ? 0.6035 0.5027 0.9018 -0.2008 0.2921 -0.2712 1569 HOH A O 5065 O O . HOH M . ? 0.1420 0.2282 0.3435 -0.0198 -0.0533 -0.0090 1572 HOH A O 5066 O O . HOH M . ? 0.3442 0.7598 0.6132 -0.0164 -0.1666 -0.2293 1573 HOH A O 5067 O O . HOH M . ? 0.3728 0.2984 0.7728 -0.0210 -0.2777 0.0188 1581 HOH A O 5068 O O . HOH M . ? 0.1161 0.1652 0.1420 -0.0022 -0.0285 0.0063 1593 HOH A O 5069 O O . HOH M . ? 0.0969 0.1563 0.1416 0.0069 -0.0261 -0.0017 1594 HOH A O 5070 O O . HOH M . ? 0.3729 0.2233 0.4665 0.0360 -0.2291 0.0137 1595 HOH A O 5071 O O . HOH M . ? 0.5181 0.6353 0.4289 -0.2199 0.1770 -0.2626 1610 HOH A O 5072 O O . HOH M . ? 0.5870 0.2310 0.4630 -0.0656 -0.2928 0.0670 1612 HOH A O 5073 O O . HOH M . ? 0.4061 0.7100 0.4642 -0.2864 0.0270 -0.1154 1619 HOH A O 5074 O O . HOH M . ? 0.2043 0.2136 0.3100 0.0032 0.0211 0.0401 1627 HOH A O 5075 O O . HOH M . ? 0.3720 0.4781 0.6484 0.0816 0.1248 -0.2275 1630 HOH A O 5076 O O . HOH M . ? 0.4308 0.2793 0.6800 0.0862 0.2740 0.1533 1631 HOH A O 5077 O O . HOH M . ? 0.2458 0.3059 0.2416 -0.0365 0.0217 -0.1469 1637 HOH A O 5078 O O . HOH M . ? 0.2424 0.3479 0.6579 -0.0711 -0.1246 0.2418 1638 HOH A O 5079 O O . HOH M . ? 0.3581 0.3396 0.3033 -0.1791 -0.1596 0.1542 1640 HOH A O 5080 O O . HOH M . ? 0.7536 0.4163 0.2667 -0.3035 -0.0915 0.0501 1641 HOH A O 5081 O O . HOH M . ? 0.0670 0.1674 0.2005 0.0214 0.0103 0.0327 1645 HOH A O 5082 O O . HOH M . ? 0.1940 0.1854 0.1785 -0.0045 -0.0270 -0.0040 1651 HOH A O 5083 O O . HOH M . ? 0.5854 0.3598 0.6175 -0.1759 0.1265 -0.2041 1656 HOH A O 5084 O O . HOH M . ? 0.2193 0.7091 0.2621 0.0759 -0.0515 -0.0792 1658 HOH A O 5085 O O . HOH M . ? 0.6036 0.5489 0.2955 0.2590 -0.0191 -0.0232 1672 HOH A O 5086 O O . HOH M . ? 0.6555 0.4468 0.5076 0.0576 0.0297 -0.1885 1677 HOH A O 5087 O O . HOH M . ? 0.4161 0.8177 0.6334 -0.0375 -0.2237 -0.1094 1683 HOH A O 5088 O O . HOH M . ? 0.2735 0.2896 0.5695 0.0843 -0.1746 -0.1948 1684 HOH A O 5089 O O . HOH M . ? 1.0612 0.4728 0.4395 0.1602 0.1762 0.0458 1688 HOH A O 5090 O O . HOH M . ? 0.1177 0.3371 0.2700 -0.0259 -0.0422 0.0891 1689 HOH A O 5091 O O . HOH M . ? 0.6531 0.2668 0.3038 0.1326 -0.0045 0.0842 1690 HOH A O 5092 O O . HOH M . ? 0.2310 0.3725 0.5639 -0.0799 0.0412 0.1108 1694 HOH A O 5093 O O . HOH M . ? 0.1520 0.3067 0.2328 0.0610 -0.0327 0.0054 1699 HOH A O 5094 O O . HOH M . ? 0.5028 0.4660 0.5672 -0.1059 0.1712 0.0499 1700 HOH A O 5095 O O . HOH M . ? 0.2685 0.2684 0.4152 0.0769 -0.1076 -0.0024 1706 HOH A O 5096 O O . HOH M . ? 0.2605 0.1906 0.3544 0.0373 0.0710 -0.0413 1709 HOH A O 5097 O O . HOH M . ? 0.3879 0.6375 0.5653 0.0861 -0.0028 -0.3250 1716 HOH A O 5098 O O . HOH M . ? 0.2452 0.2377 0.1542 -0.0091 -0.0168 -0.0159 1718 HOH A O 5099 O O . HOH M . ? 0.9376 0.4125 0.5408 0.0772 -0.3085 0.0032 1722 HOH A O 5100 O O . HOH M . ? 0.2370 0.2229 0.1953 -0.0333 -0.0867 0.0311 1731 HOH A O 5101 O O . HOH M . ? 0.6113 0.7181 0.4392 -0.1953 0.1989 -0.1148 1733 HOH A O 5102 O O . HOH M . ? 0.2722 0.1593 0.2147 -0.0501 -0.1101 0.0374 1739 HOH A O 5103 O O . HOH M . ? 0.3182 0.5426 0.3256 -0.1092 -0.1218 0.1984 1745 HOH A O 5104 O O . HOH M . ? 0.1495 0.2656 0.4930 0.0244 -0.0284 0.1143 1757 HOH A O 5105 O O . HOH M . ? 0.4076 0.2532 0.4374 -0.0437 -0.2140 0.0863 1772 HOH A O 5106 O O . HOH M . ? 0.1826 0.2907 0.3748 0.0603 -0.0314 -0.1637 1776 HOH A O 5107 O O . HOH M . ? 0.1915 0.4324 0.3219 0.0200 -0.0691 -0.0532 1782 HOH A O 5108 O O . HOH M . ? 0.1454 0.2731 0.2163 0.0348 -0.0249 0.0477 1784 HOH A O 5109 O O A HOH M . ? 0.1591 0.5731 0.3105 0.0386 0.0428 0.0420 1788 HOH A O 5110 O O B HOH M . ? 0.1145 0.2699 0.2591 -0.0595 -0.0138 -0.0727 1788 HOH A O 5111 O O . HOH M . ? 0.2113 0.3828 0.5130 -0.0480 0.0051 0.1354 1792 HOH A O 5112 O O . HOH M . ? 0.4308 0.2232 0.3706 0.0157 -0.2107 -0.0352 1805 HOH A O 5113 O O . HOH M . ? 1.0121 0.3070 0.4411 -0.1723 -0.0997 0.0206 1806 HOH A O 5114 O O . HOH M . ? 0.8681 0.2777 0.3479 0.0692 0.0054 -0.0279 1820 HOH A O 5115 O O . HOH M . ? 0.1855 0.3584 0.7230 0.0004 -0.0393 0.0405 1832 HOH A O 5116 O O . HOH M . ? 0.3674 0.6201 0.5806 0.0390 -0.1093 0.2717 1836 HOH A O 5117 O O . HOH M . ? 0.4287 0.6168 0.2744 -0.0195 0.0132 0.2035 1839 HOH A O 5118 O O . HOH M . ? 0.2760 0.1956 0.4217 0.0272 -0.1530 -0.0028 1840 HOH A O 5119 O O . HOH M . ? 0.6842 0.1837 0.3579 0.0611 0.0002 0.0254 1844 HOH A O 5120 O O . HOH M . ? 0.6266 0.9984 0.4117 -0.2240 0.0542 0.2201 1846 HOH A O 5121 O O . HOH M . ? 0.3214 0.3881 0.3194 0.0398 0.0760 0.1991 1850 HOH A O 5122 O O . HOH M . ? 0.3104 0.4778 0.7417 -0.0394 0.0738 0.2634 1851 HOH A O 5123 O O . HOH M . ? 0.1900 0.6110 0.1718 -0.0310 0.0224 -0.0524 1853 HOH A O 5124 O O . HOH M . ? 0.5098 0.6262 0.2672 0.1685 -0.0654 0.0305 1857 HOH A O 5125 O O . HOH M . ? 0.5786 0.4967 0.7409 0.2129 -0.2731 -0.1856 1883 HOH A O 5126 O O A HOH M . ? 0.5536 0.5758 0.2270 0.0359 -0.1344 0.1025 1891 HOH A O 5127 O O B HOH M . ? 0.4026 0.3777 0.1821 -0.1123 0.0640 -0.1036 1891 HOH A O 5128 O O A HOH M . ? 0.2147 0.3059 0.2514 -0.1387 0.0277 -0.0773 1892 HOH A O 5129 O O B HOH M . ? 0.2232 0.2933 0.1702 0.0081 -0.0775 0.0012 1892 HOH A O 5130 O O . HOH M . ? 0.3297 0.3056 0.4129 0.0213 -0.1576 0.1155 1894 HOH A O 5131 O O . HOH M . ? 0.2707 0.1860 0.6313 0.0207 0.1993 0.0468 1897 HOH A O 5132 O O . HOH M . ? 0.2245 0.6036 0.3200 0.0509 0.0289 -0.0983 1906 HOH A O 5133 O O . HOH M . ? 0.3869 0.3502 0.4711 -0.1063 -0.1567 0.1871 1932 HOH A O 5134 O O . HOH M . ? 0.3028 0.7158 0.6440 0.1402 0.0189 0.2241 1936 HOH A O 5135 O O . HOH M . ? 0.4161 0.7508 0.7639 0.1359 -0.1632 -0.4389 1954 HOH A O 5136 O O . HOH M . ? 0.6459 0.4921 0.3803 0.1235 0.0376 -0.2196 1958 HOH A O 5137 O O . HOH M . ? 0.7100 0.4922 0.2993 -0.0944 -0.0683 -0.0115 1969 HOH A O 5138 O O . HOH M . ? 0.2550 0.2381 0.3138 0.0180 -0.0999 0.0938 1977 HOH A O 5139 O O . HOH M . ? 0.4746 0.9273 0.6179 -0.1958 -0.0473 0.3733 1979 HOH A O 5140 O O . HOH M . ? 0.1995 0.2246 0.4739 0.0102 0.0852 0.0634 1987 HOH A O 5141 O O . HOH M . ? 0.4666 0.3884 0.3444 -0.0670 -0.0253 -0.0280 1999 HOH A O 5142 O O . HOH M . ? 0.6212 0.5078 0.5790 0.3214 0.1000 0.1072 2022 HOH A O 5143 O O . HOH M . ? 0.3892 0.5507 0.7947 -0.0742 0.2676 0.0454 2026 HOH A O 5144 O O . HOH M . ? 0.3519 0.2877 0.8826 -0.0739 -0.0397 0.1234 2045 HOH A O 5145 O O . HOH M . ? 0.3220 0.5153 0.6711 -0.1006 -0.1332 0.3272 2055 HOH A O 5146 O O . HOH M . ? 0.3513 0.2793 0.3094 0.0748 -0.0394 0.0332 2057 HOH A O 5147 O O . HOH M . ? 0.1947 0.2352 0.1665 -0.0324 -0.0173 -0.0336 2060 HOH A O 5148 O O . HOH M . ? 0.4805 0.4655 0.3916 0.0325 -0.0052 -0.0492 2070 HOH A O 5149 O O . HOH M . ? 0.2862 0.2191 0.7604 0.0070 0.1022 -0.0864 2073 HOH A O 5150 O O A HOH M . ? 0.1444 0.2066 0.2173 0.0722 0.0606 0.0698 2084 HOH A O 5151 O O B HOH M . ? 0.4624 0.2761 0.2317 0.1263 0.0590 0.0523 2084 HOH A O 5152 O O . HOH M . ? 0.2184 0.4873 0.3229 -0.1258 -0.0174 0.1547 2085 HOH A O 5153 O O . HOH M . ? 0.2011 0.1518 0.1585 0.0261 -0.0189 0.0161 2093 HOH A O 5154 O O . HOH M . ? 0.3579 0.2516 0.5025 -0.0144 -0.0451 0.0163 2095 HOH A O 5155 O O . HOH M . ? 0.2709 0.2274 0.6863 0.0385 -0.1432 0.0243 2102 HOH A O 5156 O O . HOH M . ? 0.3252 0.5682 0.7174 0.0505 -0.1696 -0.2852 2103 HOH A O 5157 O O . HOH M . ? 0.4143 0.4298 0.5044 0.1978 0.1053 0.0852 2107 HOH A O 5158 O O . HOH M . ? 0.4362 0.1921 0.4346 -0.0622 0.2582 -0.0620 2110 HOH A O 5159 O O . HOH M . ? 0.2593 0.1983 0.2985 -0.0070 -0.0893 0.0559 2125 HOH A O 5160 O O . HOH M . ? 0.3237 0.4070 0.3045 0.1470 -0.1520 -0.0750 2137 HOH A O 5161 O O . HOH M . ? 0.4855 0.6337 0.4677 0.1980 -0.1216 -0.0797 2140 HOH A O 5162 O O . HOH M . ? 0.2260 0.4910 0.3236 0.0622 0.0270 -0.0567 2151 HOH A O 5163 O O . HOH M . ? 0.4220 0.4963 0.1882 0.2111 -0.0361 0.0172 2159 HOH A O 5164 O O . HOH M . ? 0.2948 0.2512 0.3091 -0.0220 -0.0538 0.0009 2162 HOH A O 5165 O O . HOH M . ? 0.1794 0.2528 0.1817 0.0406 -0.0083 -0.0115 2163 HOH A O 5166 O O . HOH M . ? 0.2055 0.2541 0.2401 0.0732 -0.0384 0.0671 2166 HOH A O 5167 O O . HOH M . ? 0.1518 0.1158 0.1193 0.0126 -0.0139 -0.0180 2167 HOH A O 5168 O O . HOH M . ? 0.4829 0.4996 0.4664 0.1464 0.0242 0.1851 2168 HOH A O 5169 O O . HOH M . ? 0.2834 0.8570 0.4940 0.0764 0.1115 -0.0765 2170 HOH A O 5170 O O . HOH M . ? 0.1536 0.1771 0.1743 0.0516 -0.0281 0.0197 2177 HOH A O 5171 O O . HOH M . ? 0.2354 0.1939 0.2247 -0.0486 0.0138 0.0020 2180 HOH A O 5172 O O . HOH M . ? 0.5325 0.4614 0.4225 0.0993 0.0305 0.1117 2185 HOH A O 5173 O O . HOH M . ? 0.1688 0.1465 0.5608 0.0094 0.0146 0.0351 2198 HOH A O 5174 O O . HOH M . ? 0.2444 0.3477 0.2342 0.0023 -0.0266 0.0105 2216 HOH A O 5175 O O . HOH M . ? 0.5166 0.4362 0.5100 -0.0543 -0.2000 0.2311 2220 HOH A O 5176 O O . HOH M . ? 0.3088 0.2876 0.7388 -0.0267 -0.0972 0.2025 2227 HOH A O 5177 O O . HOH M . ? 0.4112 0.8191 0.3908 0.2530 0.0798 0.2434 2247 HOH A O 5178 O O A HOH M . ? 0.2395 0.5807 0.2884 0.1295 -0.0445 -0.1931 2250 HOH A O 5179 O O B HOH M . ? 0.2072 0.2266 0.4243 0.0357 0.0579 -0.1239 2250 HOH A O 5180 O O . HOH M . ? 0.4220 0.5812 0.5978 0.0505 -0.1446 0.1684 2256 HOH A O 5181 O O . HOH M . ? 0.5402 0.6194 0.4044 -0.2082 -0.1116 0.1875 2274 HOH A O 5182 O O . HOH M . ? 0.5220 0.3904 0.9232 0.0686 0.2367 -0.1570 2278 HOH A O 5183 O O . HOH M . ? 0.5113 0.6575 0.4780 0.2822 0.1979 0.2284 2290 HOH A O 5184 O O . HOH M . ? 0.2903 0.5364 0.4946 0.0910 -0.1307 0.1455 2307 HOH A O 5185 O O . HOH M . ? 0.4682 0.3455 0.3807 0.1276 -0.0256 -0.1472 2308 HOH A O 5186 O O . HOH M . ? 0.3917 0.8337 0.3947 0.2299 0.0866 0.2641 2327 HOH A O 5187 O O . HOH M . ? 0.5068 0.4354 0.5967 0.0016 -0.1587 0.1173 2329 HOH A O 5188 O O . HOH M . ? 0.2942 0.1884 0.6780 -0.0132 -0.1298 0.0598 2330 HOH A O 5189 O O . HOH M . ? 0.1190 0.3174 0.2666 0.0704 0.0023 0.0444 2331 HOH A O 5190 O O . HOH M . ? 0.6324 0.6403 0.2863 0.1247 -0.1795 -0.0458 2335 HOH A O 5191 O O . HOH M . ? 0.1041 0.1473 0.1794 -0.0026 -0.0259 -0.0308 2339 HOH A O 5192 O O . HOH M . ? 0.6291 0.3566 0.3176 0.1713 0.1504 0.1375 2344 HOH A O 5193 O O . HOH M . ? 0.6282 0.4097 0.5193 -0.0580 -0.0395 0.0367 2353 HOH A O 5194 O O . HOH M . ? 0.4177 0.7096 0.3841 -0.0821 -0.2086 0.0396 2354 HOH A O 5195 O O A HOH M . ? 0.5350 0.2067 0.2523 -0.1223 -0.1775 0.0572 2355 HOH A O 5196 O O B HOH M . ? 0.5406 0.1921 0.3787 -0.0419 -0.1823 -0.0327 2355 HOH A O 5197 O O . HOH M . ? 0.2623 0.2050 0.4912 0.0338 0.0207 -0.0495 2357 HOH A O 5198 O O . HOH M . ? 0.2409 0.3182 0.3382 -0.0437 -0.0180 0.1426 2364 HOH A O 5199 O O . HOH M . ? 0.4061 0.7191 0.4689 -0.1180 -0.2101 0.1019 2387 HOH A O 5200 O O . HOH M . ? 0.2231 0.5402 0.3212 0.0574 -0.0991 -0.0594 2415 HOH A O 5201 O O . HOH M . ? 0.2203 0.7842 0.5028 -0.0525 -0.0741 -0.0094 2445 HOH A O 5202 O O . HOH M . ? 0.5772 0.2705 0.2666 0.0365 0.0135 -0.1203 2451 HOH A O 5203 O O . HOH M . ? 0.1795 0.2157 0.2701 -0.0369 -0.0215 -0.0408 2459 HOH A O 5204 O O . HOH M . ? 0.1882 0.1762 0.1969 -0.0131 -0.0260 -0.0196 2483 HOH A O 5205 O O A HOH M . ? 0.4332 0.2896 0.1941 -0.1452 0.0076 -0.0439 2505 HOH A O 5206 O O B HOH M . ? 0.3551 0.4346 0.3560 -0.1733 -0.0569 -0.1185 2505 HOH A O 5207 O O . HOH M . ? 0.3785 0.3526 0.8280 0.0492 0.0909 0.2041 2518 HOH A O 5208 O O . HOH M . ? 0.1751 0.5913 0.3101 0.0227 -0.0216 0.1514 2520 HOH A O 5209 O O . HOH M . ? 0.5440 0.2424 0.8094 0.0500 0.0853 0.1187 2524 HOH A O 5210 O O A HOH M . ? 0.2260 0.2450 0.5349 -0.0329 -0.1369 0.1461 2529 HOH A O 5211 O O B HOH M . ? 0.2210 0.4500 0.2606 0.0237 -0.1142 -0.0720 2529 HOH A O 5212 O O . HOH M . ? 0.2652 0.3307 0.5130 0.1011 -0.1185 0.0699 2533 HOH A O 5213 O O . HOH M . ? 0.3202 0.8224 0.2437 0.1105 0.0565 0.0244 2535 HOH A O 5214 O O . HOH M . ? 0.5474 0.2206 0.3468 -0.0815 0.1051 0.0227 2539 HOH A O 5215 O O . HOH M . ? 0.1772 0.1723 0.1698 -0.0615 -0.0039 -0.0227 2540 HOH A O 5216 O O A HOH M . ? 0.1302 0.1832 0.2005 0.0611 0.0698 0.1056 2602 HOH A O 5217 O O B HOH M . ? 0.2057 0.2660 0.3133 0.0972 -0.1146 -0.1575 2602 HOH A O 5218 O O . HOH M . ? 0.5770 0.3276 0.3673 0.1050 -0.0598 0.1591 2611 HOH A O 5219 O O . HOH M . ? 0.6200 0.2896 0.4682 0.0378 0.2564 0.1064 2625 HOH A O 5220 O O . HOH M . ? 0.6012 0.4592 0.5935 -0.1919 -0.0162 0.2168 2643 HOH A O 5221 O O . HOH M . ? 0.5462 0.5221 0.6960 -0.2032 -0.2109 0.0959 2650 HOH A O 5222 O O . HOH M . ? 0.3577 0.4528 0.2296 0.1134 0.0769 0.0651 2660 HOH A O 5223 O O . HOH M . ? 0.6469 0.2101 0.6586 0.0695 -0.0481 0.0089 2677 HOH A O 5224 O O . HOH M . ? 0.5049 0.3948 0.3906 0.0937 -0.1081 -0.0052 2688 HOH A O # If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |