data_3ARF # _entry.id 3ARF # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3ARF RCSB RCSB029602 WWPDB D_1000029602 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3HE6 'Ternary crystal structure of the mouse NKT TCR-CD1d-alpha-galactosylceramide' unspecified PDB 3ARB 'Ternary crystal structure of the mouse NKT TCR-CD1d-OCH' unspecified PDB 3ARD ;Ternary crystal structure of the mouse NKT TCR-CD1d-3'deoxy-alpha-galactosylceramide ; unspecified PDB 3ARE ;Ternary crystal structure of the mouse NKT TCR-CD1d-4'deoxy-alpha-galactosylceramide ; unspecified PDB 3ARG 'Ternary crystal structure of the mouse NKT TCR-CD1d-alpha-glucosylceramide(C20:2)' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3ARF _pdbx_database_status.recvd_initial_deposition_date 2010-11-27 _pdbx_database_status.deposit_site PDBJ _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Wun, K.S.' 1 'Rossjohn, J.' 2 # _citation.id primary _citation.title 'A molecular basis for the exquisite CD1d-restricted antigen specificity and functional responses of natural killer T cells' _citation.journal_abbrev Immunity _citation.journal_volume 34 _citation.page_first 327 _citation.page_last 339 _citation.year 2011 _citation.journal_id_ASTM IUNIEH _citation.country US _citation.journal_id_ISSN 1074-7613 _citation.journal_id_CSD 2048 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21376639 _citation.pdbx_database_id_DOI 10.1016/j.immuni.2011.02.001 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Wun, K.S.' 1 primary 'Cameron, G.' 2 primary 'Patel, O.' 3 primary 'Pang, S.S.' 4 primary 'Pellicci, D.G.' 5 primary 'Sullivan, L.C.' 6 primary 'Keshipeddy, S.' 7 primary 'Young, M.H.' 8 primary 'Uldrich, A.P.' 9 primary 'Thakur, M.S.' 10 primary 'Richardson, S.K.' 11 primary 'Howell, A.R.' 12 primary 'Illarionov, P.A.' 13 primary 'Brooks, A.G.' 14 primary 'Besra, G.S.' 15 primary 'McCluskey, J.' 16 primary 'Gapin, L.' 17 primary 'Porcelli, S.A.' 18 primary 'Godfrey, D.I.' 19 primary 'Rossjohn, J.' 20 # _cell.entry_id 3ARF _cell.length_a 58.950 _cell.length_b 87.046 _cell.length_c 234.860 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3ARF _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Antigen-presenting glycoprotein CD1d1' 34662.012 1 ? ? 'heavy chain' ? 2 polymer man Beta-2-microglobulin 11660.350 1 ? ? ? ? 3 polymer man 'NKT Valpha14-Jalpha18' 22779.180 1 ? ? ? 'Chimera of mouse variable domain and human constant domain' 4 polymer man Vbeta8.2 27166.941 1 ? ? ? 'Chimera of mouse variable domain and human constant domain' 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 6 ? ? ? ? 6 non-polymer syn '(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide' 770.131 1 ? ? ? ? 7 water nat water 18.015 35 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWGSLHHILDAQKMVWNHRHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWGSLHHILDAQKMVWNHRHHHHHH ; A ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; B ? 3 'polypeptide(L)' no no ;TQVEQSPQSLVVRQGENSVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITATL LDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ;TQVEQSPQSLVVRQGENSVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITATL LDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; C ? 4 'polypeptide(L)' no no ;EAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILEL ATPSQTSVYFCASGDAGGNYAEQFFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW VNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW GRAD ; ;EAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILEL ATPSQTSVYFCASGDAGGNYAEQFFGPGTRLTVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWW VNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAW GRAD ; D ? # 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 GLU n 1 3 ALA n 1 4 GLN n 1 5 GLN n 1 6 LYS n 1 7 ASN n 1 8 TYR n 1 9 THR n 1 10 PHE n 1 11 ARG n 1 12 CYS n 1 13 LEU n 1 14 GLN n 1 15 MET n 1 16 SER n 1 17 SER n 1 18 PHE n 1 19 ALA n 1 20 ASN n 1 21 ARG n 1 22 SER n 1 23 TRP n 1 24 SER n 1 25 ARG n 1 26 THR n 1 27 ASP n 1 28 SER n 1 29 VAL n 1 30 VAL n 1 31 TRP n 1 32 LEU n 1 33 GLY n 1 34 ASP n 1 35 LEU n 1 36 GLN n 1 37 THR n 1 38 HIS n 1 39 ARG n 1 40 TRP n 1 41 SER n 1 42 ASN n 1 43 ASP n 1 44 SER n 1 45 ALA n 1 46 THR n 1 47 ILE n 1 48 SER n 1 49 PHE n 1 50 THR n 1 51 LYS n 1 52 PRO n 1 53 TRP n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 LYS n 1 58 LEU n 1 59 SER n 1 60 ASN n 1 61 GLN n 1 62 GLN n 1 63 TRP n 1 64 GLU n 1 65 LYS n 1 66 LEU n 1 67 GLN n 1 68 HIS n 1 69 MET n 1 70 PHE n 1 71 GLN n 1 72 VAL n 1 73 TYR n 1 74 ARG n 1 75 VAL n 1 76 SER n 1 77 PHE n 1 78 THR n 1 79 ARG n 1 80 ASP n 1 81 ILE n 1 82 GLN n 1 83 GLU n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 MET n 1 88 MET n 1 89 SER n 1 90 PRO n 1 91 LYS n 1 92 GLU n 1 93 ASP n 1 94 TYR n 1 95 PRO n 1 96 ILE n 1 97 GLU n 1 98 ILE n 1 99 GLN n 1 100 LEU n 1 101 SER n 1 102 ALA n 1 103 GLY n 1 104 CYS n 1 105 GLU n 1 106 MET n 1 107 TYR n 1 108 PRO n 1 109 GLY n 1 110 ASN n 1 111 ALA n 1 112 SER n 1 113 GLU n 1 114 SER n 1 115 PHE n 1 116 LEU n 1 117 HIS n 1 118 VAL n 1 119 ALA n 1 120 PHE n 1 121 GLN n 1 122 GLY n 1 123 LYS n 1 124 TYR n 1 125 VAL n 1 126 VAL n 1 127 ARG n 1 128 PHE n 1 129 TRP n 1 130 GLY n 1 131 THR n 1 132 SER n 1 133 TRP n 1 134 GLN n 1 135 THR n 1 136 VAL n 1 137 PRO n 1 138 GLY n 1 139 ALA n 1 140 PRO n 1 141 SER n 1 142 TRP n 1 143 LEU n 1 144 ASP n 1 145 LEU n 1 146 PRO n 1 147 ILE n 1 148 LYS n 1 149 VAL n 1 150 LEU n 1 151 ASN n 1 152 ALA n 1 153 ASP n 1 154 GLN n 1 155 GLY n 1 156 THR n 1 157 SER n 1 158 ALA n 1 159 THR n 1 160 VAL n 1 161 GLN n 1 162 MET n 1 163 LEU n 1 164 LEU n 1 165 ASN n 1 166 ASP n 1 167 THR n 1 168 CYS n 1 169 PRO n 1 170 LEU n 1 171 PHE n 1 172 VAL n 1 173 ARG n 1 174 GLY n 1 175 LEU n 1 176 LEU n 1 177 GLU n 1 178 ALA n 1 179 GLY n 1 180 LYS n 1 181 SER n 1 182 ASP n 1 183 LEU n 1 184 GLU n 1 185 LYS n 1 186 GLN n 1 187 GLU n 1 188 LYS n 1 189 PRO n 1 190 VAL n 1 191 ALA n 1 192 TRP n 1 193 LEU n 1 194 SER n 1 195 SER n 1 196 VAL n 1 197 PRO n 1 198 SER n 1 199 SER n 1 200 ALA n 1 201 HIS n 1 202 GLY n 1 203 HIS n 1 204 ARG n 1 205 GLN n 1 206 LEU n 1 207 VAL n 1 208 CYS n 1 209 HIS n 1 210 VAL n 1 211 SER n 1 212 GLY n 1 213 PHE n 1 214 TYR n 1 215 PRO n 1 216 LYS n 1 217 PRO n 1 218 VAL n 1 219 TRP n 1 220 VAL n 1 221 MET n 1 222 TRP n 1 223 MET n 1 224 ARG n 1 225 GLY n 1 226 ASP n 1 227 GLN n 1 228 GLU n 1 229 GLN n 1 230 GLN n 1 231 GLY n 1 232 THR n 1 233 HIS n 1 234 ARG n 1 235 GLY n 1 236 ASP n 1 237 PHE n 1 238 LEU n 1 239 PRO n 1 240 ASN n 1 241 ALA n 1 242 ASP n 1 243 GLU n 1 244 THR n 1 245 TRP n 1 246 TYR n 1 247 LEU n 1 248 GLN n 1 249 ALA n 1 250 THR n 1 251 LEU n 1 252 ASP n 1 253 VAL n 1 254 GLU n 1 255 ALA n 1 256 GLY n 1 257 GLU n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 LEU n 1 262 ALA n 1 263 CYS n 1 264 ARG n 1 265 VAL n 1 266 LYS n 1 267 HIS n 1 268 SER n 1 269 SER n 1 270 LEU n 1 271 GLY n 1 272 GLY n 1 273 GLN n 1 274 ASP n 1 275 ILE n 1 276 ILE n 1 277 LEU n 1 278 TYR n 1 279 TRP n 1 280 GLY n 1 281 SER n 1 282 LEU n 1 283 HIS n 1 284 HIS n 1 285 ILE n 1 286 LEU n 1 287 ASP n 1 288 ALA n 1 289 GLN n 1 290 LYS n 1 291 MET n 1 292 VAL n 1 293 TRP n 1 294 ASN n 1 295 HIS n 1 296 ARG n 1 297 HIS n 1 298 HIS n 1 299 HIS n 1 300 HIS n 1 301 HIS n 1 302 HIS n 2 1 ILE n 2 2 GLN n 2 3 LYS n 2 4 THR n 2 5 PRO n 2 6 GLN n 2 7 ILE n 2 8 GLN n 2 9 VAL n 2 10 TYR n 2 11 SER n 2 12 ARG n 2 13 HIS n 2 14 PRO n 2 15 PRO n 2 16 GLU n 2 17 ASN n 2 18 GLY n 2 19 LYS n 2 20 PRO n 2 21 ASN n 2 22 ILE n 2 23 LEU n 2 24 ASN n 2 25 CYS n 2 26 TYR n 2 27 VAL n 2 28 THR n 2 29 GLN n 2 30 PHE n 2 31 HIS n 2 32 PRO n 2 33 PRO n 2 34 HIS n 2 35 ILE n 2 36 GLU n 2 37 ILE n 2 38 GLN n 2 39 MET n 2 40 LEU n 2 41 LYS n 2 42 ASN n 2 43 GLY n 2 44 LYS n 2 45 LYS n 2 46 ILE n 2 47 PRO n 2 48 LYS n 2 49 VAL n 2 50 GLU n 2 51 MET n 2 52 SER n 2 53 ASP n 2 54 MET n 2 55 SER n 2 56 PHE n 2 57 SER n 2 58 LYS n 2 59 ASP n 2 60 TRP n 2 61 SER n 2 62 PHE n 2 63 TYR n 2 64 ILE n 2 65 LEU n 2 66 ALA n 2 67 HIS n 2 68 THR n 2 69 GLU n 2 70 PHE n 2 71 THR n 2 72 PRO n 2 73 THR n 2 74 GLU n 2 75 THR n 2 76 ASP n 2 77 THR n 2 78 TYR n 2 79 ALA n 2 80 CYS n 2 81 ARG n 2 82 VAL n 2 83 LYS n 2 84 HIS n 2 85 ALA n 2 86 SER n 2 87 MET n 2 88 ALA n 2 89 GLU n 2 90 PRO n 2 91 LYS n 2 92 THR n 2 93 VAL n 2 94 TYR n 2 95 TRP n 2 96 ASP n 2 97 ARG n 2 98 ASP n 2 99 MET n 3 1 THR n 3 2 GLN n 3 3 VAL n 3 4 GLU n 3 5 GLN n 3 6 SER n 3 7 PRO n 3 8 GLN n 3 9 SER n 3 10 LEU n 3 11 VAL n 3 12 VAL n 3 13 ARG n 3 14 GLN n 3 15 GLY n 3 16 GLU n 3 17 ASN n 3 18 SER n 3 19 VAL n 3 20 LEU n 3 21 GLN n 3 22 CYS n 3 23 ASN n 3 24 TYR n 3 25 SER n 3 26 VAL n 3 27 THR n 3 28 PRO n 3 29 ASP n 3 30 ASN n 3 31 HIS n 3 32 LEU n 3 33 ARG n 3 34 TRP n 3 35 PHE n 3 36 LYS n 3 37 GLN n 3 38 ASP n 3 39 THR n 3 40 GLY n 3 41 LYS n 3 42 GLY n 3 43 LEU n 3 44 VAL n 3 45 SER n 3 46 LEU n 3 47 THR n 3 48 VAL n 3 49 LEU n 3 50 VAL n 3 51 ASP n 3 52 GLN n 3 53 LYS n 3 54 ASP n 3 55 LYS n 3 56 THR n 3 57 SER n 3 58 ASN n 3 59 GLY n 3 60 ARG n 3 61 TYR n 3 62 SER n 3 63 ALA n 3 64 THR n 3 65 LEU n 3 66 ASP n 3 67 LYS n 3 68 ASP n 3 69 ALA n 3 70 LYS n 3 71 HIS n 3 72 SER n 3 73 THR n 3 74 LEU n 3 75 HIS n 3 76 ILE n 3 77 THR n 3 78 ALA n 3 79 THR n 3 80 LEU n 3 81 LEU n 3 82 ASP n 3 83 ASP n 3 84 THR n 3 85 ALA n 3 86 THR n 3 87 TYR n 3 88 ILE n 3 89 CYS n 3 90 VAL n 3 91 VAL n 3 92 GLY n 3 93 ASP n 3 94 ARG n 3 95 GLY n 3 96 SER n 3 97 ALA n 3 98 LEU n 3 99 GLY n 3 100 ARG n 3 101 LEU n 3 102 HIS n 3 103 PHE n 3 104 GLY n 3 105 ALA n 3 106 GLY n 3 107 THR n 3 108 GLN n 3 109 LEU n 3 110 ILE n 3 111 VAL n 3 112 ILE n 3 113 PRO n 3 114 ASP n 3 115 ILE n 3 116 GLN n 3 117 ASN n 3 118 PRO n 3 119 ASP n 3 120 PRO n 3 121 ALA n 3 122 VAL n 3 123 TYR n 3 124 GLN n 3 125 LEU n 3 126 ARG n 3 127 ASP n 3 128 SER n 3 129 LYS n 3 130 SER n 3 131 SER n 3 132 ASP n 3 133 LYS n 3 134 SER n 3 135 VAL n 3 136 CYS n 3 137 LEU n 3 138 PHE n 3 139 THR n 3 140 ASP n 3 141 PHE n 3 142 ASP n 3 143 SER n 3 144 GLN n 3 145 THR n 3 146 ASN n 3 147 VAL n 3 148 SER n 3 149 GLN n 3 150 SER n 3 151 LYS n 3 152 ASP n 3 153 SER n 3 154 ASP n 3 155 VAL n 3 156 TYR n 3 157 ILE n 3 158 THR n 3 159 ASP n 3 160 LYS n 3 161 CYS n 3 162 VAL n 3 163 LEU n 3 164 ASP n 3 165 MET n 3 166 ARG n 3 167 SER n 3 168 MET n 3 169 ASP n 3 170 PHE n 3 171 LYS n 3 172 SER n 3 173 ASN n 3 174 SER n 3 175 ALA n 3 176 VAL n 3 177 ALA n 3 178 TRP n 3 179 SER n 3 180 ASN n 3 181 LYS n 3 182 SER n 3 183 ASP n 3 184 PHE n 3 185 ALA n 3 186 CYS n 3 187 ALA n 3 188 ASN n 3 189 ALA n 3 190 PHE n 3 191 ASN n 3 192 ASN n 3 193 SER n 3 194 ILE n 3 195 ILE n 3 196 PRO n 3 197 GLU n 3 198 ASP n 3 199 THR n 3 200 PHE n 3 201 PHE n 3 202 PRO n 3 203 SER n 3 204 PRO n 3 205 GLU n 3 206 SER n 3 207 SER n 4 1 GLU n 4 2 ALA n 4 3 ALA n 4 4 VAL n 4 5 THR n 4 6 GLN n 4 7 SER n 4 8 PRO n 4 9 ARG n 4 10 ASN n 4 11 LYS n 4 12 VAL n 4 13 ALA n 4 14 VAL n 4 15 THR n 4 16 GLY n 4 17 GLY n 4 18 LYS n 4 19 VAL n 4 20 THR n 4 21 LEU n 4 22 SER n 4 23 CYS n 4 24 ASN n 4 25 GLN n 4 26 THR n 4 27 ASN n 4 28 ASN n 4 29 HIS n 4 30 ASN n 4 31 ASN n 4 32 MET n 4 33 TYR n 4 34 TRP n 4 35 TYR n 4 36 ARG n 4 37 GLN n 4 38 ASP n 4 39 THR n 4 40 GLY n 4 41 HIS n 4 42 GLY n 4 43 LEU n 4 44 ARG n 4 45 LEU n 4 46 ILE n 4 47 HIS n 4 48 TYR n 4 49 SER n 4 50 TYR n 4 51 GLY n 4 52 ALA n 4 53 GLY n 4 54 SER n 4 55 THR n 4 56 GLU n 4 57 LYS n 4 58 GLY n 4 59 ASP n 4 60 ILE n 4 61 PRO n 4 62 ASP n 4 63 GLY n 4 64 TYR n 4 65 LYS n 4 66 ALA n 4 67 SER n 4 68 ARG n 4 69 PRO n 4 70 SER n 4 71 GLN n 4 72 GLU n 4 73 ASN n 4 74 PHE n 4 75 SER n 4 76 LEU n 4 77 ILE n 4 78 LEU n 4 79 GLU n 4 80 LEU n 4 81 ALA n 4 82 THR n 4 83 PRO n 4 84 SER n 4 85 GLN n 4 86 THR n 4 87 SER n 4 88 VAL n 4 89 TYR n 4 90 PHE n 4 91 CYS n 4 92 ALA n 4 93 SER n 4 94 GLY n 4 95 ASP n 4 96 ALA n 4 97 GLY n 4 98 GLY n 4 99 ASN n 4 100 TYR n 4 101 ALA n 4 102 GLU n 4 103 GLN n 4 104 PHE n 4 105 PHE n 4 106 GLY n 4 107 PRO n 4 108 GLY n 4 109 THR n 4 110 ARG n 4 111 LEU n 4 112 THR n 4 113 VAL n 4 114 LEU n 4 115 GLU n 4 116 ASP n 4 117 LEU n 4 118 LYS n 4 119 ASN n 4 120 VAL n 4 121 PHE n 4 122 PRO n 4 123 PRO n 4 124 GLU n 4 125 VAL n 4 126 ALA n 4 127 VAL n 4 128 PHE n 4 129 GLU n 4 130 PRO n 4 131 SER n 4 132 GLU n 4 133 ALA n 4 134 GLU n 4 135 ILE n 4 136 SER n 4 137 HIS n 4 138 THR n 4 139 GLN n 4 140 LYS n 4 141 ALA n 4 142 THR n 4 143 LEU n 4 144 VAL n 4 145 CYS n 4 146 LEU n 4 147 ALA n 4 148 THR n 4 149 GLY n 4 150 PHE n 4 151 TYR n 4 152 PRO n 4 153 ASP n 4 154 HIS n 4 155 VAL n 4 156 GLU n 4 157 LEU n 4 158 SER n 4 159 TRP n 4 160 TRP n 4 161 VAL n 4 162 ASN n 4 163 GLY n 4 164 LYS n 4 165 GLU n 4 166 VAL n 4 167 HIS n 4 168 SER n 4 169 GLY n 4 170 VAL n 4 171 CYS n 4 172 THR n 4 173 ASP n 4 174 PRO n 4 175 GLN n 4 176 PRO n 4 177 LEU n 4 178 LYS n 4 179 GLU n 4 180 GLN n 4 181 PRO n 4 182 ALA n 4 183 LEU n 4 184 ASN n 4 185 ASP n 4 186 SER n 4 187 ARG n 4 188 TYR n 4 189 ALA n 4 190 LEU n 4 191 SER n 4 192 SER n 4 193 ARG n 4 194 LEU n 4 195 ARG n 4 196 VAL n 4 197 SER n 4 198 ALA n 4 199 THR n 4 200 PHE n 4 201 TRP n 4 202 GLN n 4 203 ASN n 4 204 PRO n 4 205 ARG n 4 206 ASN n 4 207 HIS n 4 208 PHE n 4 209 ARG n 4 210 CYS n 4 211 GLN n 4 212 VAL n 4 213 GLN n 4 214 PHE n 4 215 TYR n 4 216 GLY n 4 217 LEU n 4 218 SER n 4 219 GLU n 4 220 ASN n 4 221 ASP n 4 222 GLU n 4 223 TRP n 4 224 THR n 4 225 GLN n 4 226 ASP n 4 227 ARG n 4 228 ALA n 4 229 LYS n 4 230 PRO n 4 231 VAL n 4 232 THR n 4 233 GLN n 4 234 ILE n 4 235 VAL n 4 236 SER n 4 237 ALA n 4 238 GLU n 4 239 ALA n 4 240 TRP n 4 241 GLY n 4 242 ARG n 4 243 ALA n 4 244 ASP n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? mouse ? 'Cd1d1, Cd1.1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? Baculovirus ? ? ? pBacP10PH ? ? 2 1 sample ? ? ? mouse ? B2m ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'cabbage looper' 'Trichoplusia ni' 7111 ? ? ? ? ? ? ? ? ? ? ? ? ? ? Baculovirus ? ? ? pBacP10PH ? ? 3 1 sample ? ? ? 'mouse, human' ? ? ? ? ? ? ? ? 'Mus musculus, Homo sapiens' '10090, 9606' ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? Plasmid ? ? ? pET ? ? 4 1 sample ? ? ? 'mouse, human' ? ? ? ? ? ? ? ? 'Mus musculus, Homo sapiens' '10090, 9606' ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? ? ? ? ? ? ? Plasmid ? ? ? pET ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP CD1D1_MOUSE P11609 1 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSADGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYW ; 19 ? 2 UNP Q91XJ8_MOUSE Q91XJ8 2 ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; 21 ? 3 PDB 3ARF 3ARF 3 ? ? ? 4 PDB 3ARF 3ARF 4 ? ? ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3ARF A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3ARF B 1 ? 99 ? Q91XJ8 21 ? 119 ? 1 99 3 3 3ARF C 1 ? 207 ? 3ARF 1 ? 210 ? 1 210 4 4 3ARF D 1 ? 244 ? 3ARF 1 ? 247 ? 1 247 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3ARF HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 3ARF GLY A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3ARF SER A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3ARF LEU A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3ARF HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3ARF HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3ARF ILE A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 1 3ARF LEU A 286 ? UNP P11609 ? ? 'EXPRESSION TAG' 286 8 1 3ARF ASP A 287 ? UNP P11609 ? ? 'EXPRESSION TAG' 287 9 1 3ARF ALA A 288 ? UNP P11609 ? ? 'EXPRESSION TAG' 288 10 1 3ARF GLN A 289 ? UNP P11609 ? ? 'EXPRESSION TAG' 289 11 1 3ARF LYS A 290 ? UNP P11609 ? ? 'EXPRESSION TAG' 290 12 1 3ARF MET A 291 ? UNP P11609 ? ? 'EXPRESSION TAG' 291 13 1 3ARF VAL A 292 ? UNP P11609 ? ? 'EXPRESSION TAG' 292 14 1 3ARF TRP A 293 ? UNP P11609 ? ? 'EXPRESSION TAG' 293 15 1 3ARF ASN A 294 ? UNP P11609 ? ? 'EXPRESSION TAG' 294 16 1 3ARF HIS A 295 ? UNP P11609 ? ? 'EXPRESSION TAG' 295 17 1 3ARF ARG A 296 ? UNP P11609 ? ? 'EXPRESSION TAG' 296 18 1 3ARF HIS A 297 ? UNP P11609 ? ? 'EXPRESSION TAG' 297 19 1 3ARF HIS A 298 ? UNP P11609 ? ? 'EXPRESSION TAG' 298 20 1 3ARF HIS A 299 ? UNP P11609 ? ? 'EXPRESSION TAG' 299 21 1 3ARF HIS A 300 ? UNP P11609 ? ? 'EXPRESSION TAG' 300 22 1 3ARF HIS A 301 ? UNP P11609 ? ? 'EXPRESSION TAG' 301 23 1 3ARF HIS A 302 ? UNP P11609 ? ? 'EXPRESSION TAG' 302 24 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 DB3 non-polymer . '(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide' ? 'C44 H83 N O9' 770.131 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3ARF _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.13 _exptl_crystal.density_percent_sol 60.70 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.6 _exptl_crystal_grow.pdbx_details '20% PEG 400, 0.1M Ammonium acetate, 0.1M Bis Tris, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2009-08-09 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'Si(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.95428 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'AUSTRALIAN SYNCHROTRON BEAMLINE MX2' _diffrn_source.pdbx_synchrotron_site 'Australian Synchrotron' _diffrn_source.pdbx_synchrotron_beamline MX2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.95428 # _reflns.entry_id 3ARF _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50.0 _reflns.d_resolution_high 2.90 _reflns.number_obs 27541 _reflns.number_all 27541 _reflns.percent_possible_obs 100 _reflns.pdbx_Rmerge_I_obs 0.368 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 9.7 _reflns.B_iso_Wilson_estimate 58.9 _reflns.pdbx_redundancy 15.5 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.percent_possible_all _reflns_shell.Rmerge_I_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_redundancy _reflns_shell.percent_possible_obs _reflns_shell.number_unique_all _reflns_shell.number_measured_all _reflns_shell.number_measured_obs _reflns_shell.number_unique_obs _reflns_shell.pdbx_chi_squared _reflns_shell.pdbx_rejects _reflns_shell.pdbx_netI_over_sigmaI_obs _reflns_shell.number_possible _reflns_shell.Rmerge_F_all _reflns_shell.Rmerge_F_obs _reflns_shell.Rmerge_I_all _reflns_shell.meanI_over_sigI_all _reflns_shell.pdbx_Rrim_I_all _reflns_shell.pdbx_Rpim_I_all _reflns_shell.pdbx_ordinal _reflns_shell.pdbx_diffrn_id 2.90 3.06 100 1.554 ? 2.5 15.8 ? 3938 ? ? ? ? ? ? ? ? ? ? ? ? ? 1 1 9.17 50.0 99.3 0.134 ? 28.3 13.8 ? 1004 ? ? ? ? ? ? ? ? ? ? ? ? ? 2 1 # _refine.entry_id 3ARF _refine.ls_number_reflns_obs 26099 _refine.ls_number_reflns_all 26257 _refine.pdbx_ls_sigma_I 0 _refine.pdbx_ls_sigma_F 0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 48.68 _refine.ls_d_res_high 2.90 _refine.ls_percent_reflns_obs 99.40 _refine.ls_R_factor_obs 0.22725 _refine.ls_R_factor_all 0.22725 _refine.ls_R_factor_R_work 0.22458 _refine.ls_R_factor_R_free 0.27699 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1395 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.917 _refine.correlation_coeff_Fo_to_Fc_free 0.861 _refine.B_iso_mean 55.896 _refine.aniso_B[1][1] -1.08 _refine.aniso_B[2][2] 6.20 _refine.aniso_B[3][3] -5.11 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 3HE6 _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model Isotropic _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.409 _refine.overall_SU_ML 0.366 _refine.overall_SU_B 43.907 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6332 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 129 _refine_hist.number_atoms_solvent 35 _refine_hist.number_atoms_total 6496 _refine_hist.d_res_high 2.90 _refine_hist.d_res_low 48.68 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.006 0.021 ? 6655 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 0.940 1.938 ? 9103 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 4.961 5.000 ? 825 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.681 24.305 ? 295 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.968 15.000 ? 918 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 13.445 15.000 ? 27 'X-RAY DIFFRACTION' ? r_chiral_restr 0.060 0.200 ? 1017 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.003 0.021 ? 5135 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.127 1.500 ? 4142 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 0.240 2.000 ? 6643 'X-RAY DIFFRACTION' ? r_scbond_it 0.335 3.000 ? 2513 'X-RAY DIFFRACTION' ? r_scangle_it 0.568 4.500 ? 2459 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.903 _refine_ls_shell.d_res_low 2.978 _refine_ls_shell.number_reflns_R_work 1791 _refine_ls_shell.R_factor_R_work 0.328 _refine_ls_shell.percent_reflns_obs 94.07 _refine_ls_shell.R_factor_R_free 0.359 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 96 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs 1887 _refine_ls_shell.redundancy_reflns_obs ? # _struct.entry_id 3ARF _struct.title 'Ternary crystal structure of the mouse NKT TCR-CD1d-C20:2' _struct.pdbx_descriptor 'Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, NKT Valpha14-Jalpha18, Vbeta8.2' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3ARF _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'mouse CD1d, mouse NKT TCR, IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 5 ? H N N 5 ? I N N 5 ? J N N 5 ? K N N 6 ? L N N 7 ? M N N 7 ? N N N 7 ? O N N 7 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 SER A 59 ? MET A 88 ? SER A 59 MET A 88 1 ? 30 HELX_P HELX_P2 2 PRO A 140 ? TRP A 142 ? PRO A 140 TRP A 142 5 ? 3 HELX_P HELX_P3 3 LEU A 143 ? ALA A 152 ? LEU A 143 ALA A 152 1 ? 10 HELX_P HELX_P4 4 ASP A 153 ? ASP A 166 ? ASP A 153 ASP A 166 1 ? 14 HELX_P HELX_P5 5 ASP A 166 ? GLY A 179 ? ASP A 166 GLY A 179 1 ? 14 HELX_P HELX_P6 6 GLY A 179 ? GLU A 184 ? GLY A 179 GLU A 184 1 ? 6 HELX_P HELX_P7 7 HIS A 267 ? GLY A 271 ? HIS A 267 GLY A 271 5 ? 5 HELX_P HELX_P8 8 SER A 281 ? LYS A 290 ? SER A 281 LYS A 290 1 ? 10 HELX_P HELX_P9 9 LEU C 80 ? THR C 84 ? LEU C 81 THR C 85 5 ? 5 HELX_P HELX_P10 10 ARG C 166 ? ASP C 169 ? ARG C 169 ASP C 172 5 ? 4 HELX_P HELX_P11 11 THR D 82 ? THR D 86 ? THR D 83 THR D 87 5 ? 5 HELX_P HELX_P12 12 SER D 131 ? GLN D 139 ? SER D 134 GLN D 142 1 ? 9 HELX_P HELX_P13 13 ALA D 198 ? ASN D 203 ? ALA D 201 ASN D 206 1 ? 6 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 104 SG ? ? ? 1_555 A CYS 168 SG ? ? A CYS 104 A CYS 168 1_555 ? ? ? ? ? ? ? 2.060 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.019 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.027 ? disulf4 disulf ? ? C CYS 22 SG ? ? ? 1_555 C CYS 89 SG ? ? C CYS 22 C CYS 90 1_555 ? ? ? ? ? ? ? 2.048 ? disulf5 disulf ? ? C CYS 136 SG ? ? ? 1_555 C CYS 186 SG ? ? C CYS 139 C CYS 189 1_555 ? ? ? ? ? ? ? 2.041 ? disulf6 disulf ? ? C CYS 161 SG ? ? ? 1_555 D CYS 171 SG ? ? C CYS 164 D CYS 174 1_555 ? ? ? ? ? ? ? 2.033 ? disulf7 disulf ? ? D CYS 23 SG ? ? ? 1_555 D CYS 91 SG ? ? D CYS 23 D CYS 92 1_555 ? ? ? ? ? ? ? 2.034 ? disulf8 disulf ? ? D CYS 145 SG ? ? ? 1_555 D CYS 210 SG ? ? D CYS 148 D CYS 213 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? E NAG . O4 ? ? ? 1_555 F NAG . C1 ? ? A NAG 400 A NAG 401 1_555 ? ? ? ? ? ? ? 1.438 ? covale2 covale ? ? A ASN 165 ND2 ? ? ? 1_555 I NAG . C1 ? ? A ASN 165 A NAG 501 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? A ASN 20 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 20 A NAG 400 1_555 ? ? ? ? ? ? ? 1.443 ? covale4 covale ? ? A ASN 42 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 42 A NAG 314 1_555 ? ? ? ? ? ? ? 1.445 ? covale5 covale ? ? I NAG . O4 ? ? ? 1_555 J NAG . C1 ? ? A NAG 501 A NAG 502 1_555 ? ? ? ? ? ? ? 1.447 ? covale6 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 314 A NAG 315 1_555 ? ? ? ? ? ? ? 1.459 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # 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 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 2.55 2 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 4.03 3 ARG 296 A . ? ARG 296 A HIS 297 A ? HIS 297 A 1 -1.42 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 -1.32 5 SER 6 C . ? SER 6 C PRO 7 C ? PRO 7 C 1 -2.92 6 THR 27 C . ? THR 27 C PRO 28 C ? PRO 28 C 1 -0.92 7 SER 7 D . ? SER 7 D PRO 8 D ? PRO 8 D 1 5.50 8 TYR 151 D . ? TYR 154 D PRO 152 D ? PRO 155 D 1 0.36 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? H ? 5 ? I ? 5 ? J ? 4 ? K ? 8 ? L ? 8 ? M ? 2 ? N ? 4 ? O ? 6 ? P ? 4 ? Q ? 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 A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel J 1 2 ? parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel K 4 5 ? anti-parallel K 5 6 ? anti-parallel K 6 7 ? anti-parallel K 7 8 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel L 7 8 ? anti-parallel M 1 2 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel O 1 2 ? parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel O 4 5 ? anti-parallel O 5 6 ? anti-parallel P 1 2 ? parallel P 2 3 ? anti-parallel P 3 4 ? anti-parallel Q 1 2 ? anti-parallel Q 2 3 ? anti-parallel Q 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 A 1 SER A 48 ? PHE A 49 ? SER A 48 PHE A 49 A 2 LEU A 35 ? TRP A 40 ? LEU A 35 TRP A 40 A 3 SER A 24 ? LEU A 32 ? SER A 24 LEU A 32 A 4 TYR A 8 ? PHE A 18 ? TYR A 8 PHE A 18 A 5 ILE A 96 ? MET A 106 ? ILE A 96 MET A 106 A 6 SER A 112 ? PHE A 120 ? SER A 112 PHE A 120 A 7 LYS A 123 ? TRP A 129 ? LYS A 123 TRP A 129 A 8 SER A 132 ? THR A 135 ? SER A 132 THR A 135 B 1 VAL A 190 ? PRO A 197 ? VAL A 190 PRO A 197 B 2 HIS A 203 ? PHE A 213 ? HIS A 203 PHE A 213 B 3 TRP A 245 ? GLU A 254 ? TRP A 245 GLU A 254 B 4 HIS A 233 ? ARG A 234 ? HIS A 233 ARG A 234 C 1 VAL A 190 ? PRO A 197 ? VAL A 190 PRO A 197 C 2 HIS A 203 ? PHE A 213 ? HIS A 203 PHE A 213 C 3 TRP A 245 ? GLU A 254 ? TRP A 245 GLU A 254 C 4 LEU A 238 ? PRO A 239 ? LEU A 238 PRO A 239 D 1 GLN A 227 ? GLU A 228 ? GLN A 227 GLU A 228 D 2 TRP A 219 ? ARG A 224 ? TRP A 219 ARG A 224 D 3 ALA A 262 ? LYS A 266 ? ALA A 262 LYS A 266 D 4 ILE A 275 ? TYR A 278 ? ILE A 275 TYR A 278 E 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 E 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 E 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 E 4 GLU B 50 ? MET B 51 ? GLU B 50 MET B 51 F 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 F 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 F 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 F 4 SER B 55 ? PHE B 56 ? SER B 55 PHE B 56 G 1 LYS B 44 ? LYS B 45 ? LYS B 44 LYS B 45 G 2 ILE B 35 ? LYS B 41 ? ILE B 35 LYS B 41 G 3 TYR B 78 ? HIS B 84 ? TYR B 78 HIS B 84 G 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 H 1 VAL C 3 ? SER C 6 ? VAL C 3 SER C 6 H 2 SER C 18 ? TYR C 24 ? SER C 18 TYR C 24 H 3 HIS C 71 ? ILE C 76 ? HIS C 72 ILE C 77 H 4 TYR C 61 ? ASP C 66 ? TYR C 62 ASP C 67 H 5 LYS C 53 ? ASN C 58 ? LYS C 53 ASN C 58 I 1 SER C 9 ? ARG C 13 ? SER C 9 ARG C 13 I 2 THR C 107 ? ILE C 112 ? THR C 110 ILE C 115 I 3 THR C 86 ? GLY C 92 ? THR C 87 GLY C 93 I 4 HIS C 31 ? GLN C 37 ? HIS C 31 GLN C 37 I 5 LEU C 43 ? LEU C 49 ? LEU C 43 LEU C 49 J 1 SER C 9 ? ARG C 13 ? SER C 9 ARG C 13 J 2 THR C 107 ? ILE C 112 ? THR C 110 ILE C 115 J 3 THR C 86 ? GLY C 92 ? THR C 87 GLY C 93 J 4 LEU C 101 ? PHE C 103 ? LEU C 104 PHE C 106 K 1 VAL C 155 ? ILE C 157 ? VAL C 158 ILE C 160 K 2 SER C 174 ? SER C 179 ? SER C 177 SER C 182 K 3 SER C 134 ? THR C 139 ? SER C 137 THR C 142 K 4 ALA C 121 ? ASP C 127 ? ALA C 124 ASP C 130 K 5 GLU D 124 ? GLU D 129 ? GLU D 127 GLU D 132 K 6 LYS D 140 ? PHE D 150 ? LYS D 143 PHE D 153 K 7 TYR D 188 ? SER D 197 ? TYR D 191 SER D 200 K 8 VAL D 170 ? THR D 172 ? VAL D 173 THR D 175 L 1 VAL C 155 ? ILE C 157 ? VAL C 158 ILE C 160 L 2 SER C 174 ? SER C 179 ? SER C 177 SER C 182 L 3 SER C 134 ? THR C 139 ? SER C 137 THR C 142 L 4 ALA C 121 ? ASP C 127 ? ALA C 124 ASP C 130 L 5 GLU D 124 ? GLU D 129 ? GLU D 127 GLU D 132 L 6 LYS D 140 ? PHE D 150 ? LYS D 143 PHE D 153 L 7 TYR D 188 ? SER D 197 ? TYR D 191 SER D 200 L 8 LEU D 177 ? LYS D 178 ? LEU D 180 LYS D 181 M 1 LEU C 163 ? MET C 165 ? LEU C 166 MET C 168 M 2 PHE C 170 ? SER C 172 ? PHE C 173 SER C 175 N 1 THR D 5 ? SER D 7 ? THR D 5 SER D 7 N 2 VAL D 19 ? ASN D 24 ? VAL D 19 ASN D 24 N 3 SER D 75 ? LEU D 78 ? SER D 76 LEU D 79 N 4 LYS D 65 ? SER D 67 ? LYS D 66 SER D 68 O 1 ASN D 10 ? VAL D 14 ? ASN D 10 VAL D 14 O 2 THR D 109 ? LEU D 114 ? THR D 112 LEU D 117 O 3 SER D 87 ? SER D 93 ? SER D 88 SER D 94 O 4 MET D 32 ? GLN D 37 ? MET D 32 GLN D 37 O 5 ARG D 44 ? SER D 49 ? ARG D 44 SER D 49 O 6 GLU D 56 ? LYS D 57 ? GLU D 56 LYS D 57 P 1 ASN D 10 ? VAL D 14 ? ASN D 10 VAL D 14 P 2 THR D 109 ? LEU D 114 ? THR D 112 LEU D 117 P 3 SER D 87 ? SER D 93 ? SER D 88 SER D 94 P 4 PHE D 104 ? PHE D 105 ? PHE D 107 PHE D 108 Q 1 LYS D 164 ? VAL D 166 ? LYS D 167 VAL D 169 Q 2 VAL D 155 ? VAL D 161 ? VAL D 158 VAL D 164 Q 3 HIS D 207 ? PHE D 214 ? HIS D 210 PHE D 217 Q 4 GLN D 233 ? TRP D 240 ? GLN D 236 TRP D 243 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O SER A 48 ? O SER A 48 N ARG A 39 ? N ARG A 39 A 2 3 O THR A 37 ? O THR A 37 N VAL A 30 ? N VAL A 30 A 3 4 O ASP A 27 ? O ASP A 27 N MET A 15 ? N MET A 15 A 4 5 N SER A 16 ? N SER A 16 O ILE A 98 ? O ILE A 98 A 5 6 N SER A 101 ? N SER A 101 O HIS A 117 ? O HIS A 117 A 6 7 N VAL A 118 ? N VAL A 118 O VAL A 126 ? O VAL A 126 A 7 8 N ARG A 127 ? N ARG A 127 O GLN A 134 ? O GLN A 134 B 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 B 2 3 N ARG A 204 ? N ARG A 204 O VAL A 253 ? O VAL A 253 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N SER A 194 ? N SER A 194 O VAL A 207 ? O VAL A 207 C 2 3 N ARG A 204 ? N ARG A 204 O VAL A 253 ? O VAL A 253 C 3 4 O TYR A 246 ? O TYR A 246 N LEU A 238 ? N LEU A 238 D 1 2 O GLN A 227 ? O GLN A 227 N ARG A 224 ? N ARG A 224 D 2 3 N MET A 221 ? N MET A 221 O ARG A 264 ? O ARG A 264 D 3 4 N CYS A 263 ? N CYS A 263 O LEU A 277 ? O LEU A 277 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 E 3 4 O HIS B 67 ? O HIS B 67 N GLU B 50 ? N GLU B 50 F 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 F 2 3 N CYS B 25 ? N CYS B 25 O ALA B 66 ? O ALA B 66 F 3 4 O TYR B 63 ? O TYR B 63 N SER B 55 ? N SER B 55 G 1 2 O LYS B 44 ? O LYS B 44 N LYS B 41 ? N LYS B 41 G 2 3 N GLN B 38 ? N GLN B 38 O ARG B 81 ? O ARG B 81 G 3 4 N VAL B 82 ? N VAL B 82 O LYS B 91 ? O LYS B 91 H 1 2 N GLU C 4 ? N GLU C 4 O ASN C 23 ? O ASN C 23 H 2 3 N LEU C 20 ? N LEU C 20 O LEU C 74 ? O LEU C 75 H 3 4 O HIS C 71 ? O HIS C 72 N ASP C 66 ? N ASP C 67 H 4 5 O LEU C 65 ? O LEU C 66 N ASP C 54 ? N ASP C 54 I 1 2 N LEU C 10 ? N LEU C 10 O ILE C 110 ? O ILE C 113 I 2 3 O THR C 107 ? O THR C 110 N TYR C 87 ? N TYR C 88 I 3 4 O THR C 86 ? O THR C 87 N GLN C 37 ? N GLN C 37 I 4 5 N LEU C 32 ? N LEU C 32 O LEU C 49 ? O LEU C 49 J 1 2 N LEU C 10 ? N LEU C 10 O ILE C 110 ? O ILE C 113 J 2 3 O THR C 107 ? O THR C 110 N TYR C 87 ? N TYR C 88 J 3 4 N VAL C 91 ? N VAL C 92 O HIS C 102 ? O HIS C 105 K 1 2 N TYR C 156 ? N TYR C 159 O TRP C 178 ? O TRP C 181 K 2 3 O ALA C 175 ? O ALA C 178 N PHE C 138 ? N PHE C 141 K 3 4 O LEU C 137 ? O LEU C 140 N TYR C 123 ? N TYR C 126 K 4 5 N ARG C 126 ? N ARG C 129 O GLU D 129 ? O GLU D 132 K 5 6 N GLU D 124 ? N GLU D 127 O THR D 148 ? O THR D 151 K 6 7 N ALA D 141 ? N ALA D 144 O VAL D 196 ? O VAL D 199 K 7 8 O ARG D 193 ? O ARG D 196 N CYS D 171 ? N CYS D 174 L 1 2 N TYR C 156 ? N TYR C 159 O TRP C 178 ? O TRP C 181 L 2 3 O ALA C 175 ? O ALA C 178 N PHE C 138 ? N PHE C 141 L 3 4 O LEU C 137 ? O LEU C 140 N TYR C 123 ? N TYR C 126 L 4 5 N ARG C 126 ? N ARG C 129 O GLU D 129 ? O GLU D 132 L 5 6 N GLU D 124 ? N GLU D 127 O THR D 148 ? O THR D 151 L 6 7 N ALA D 141 ? N ALA D 144 O VAL D 196 ? O VAL D 199 L 7 8 O ALA D 189 ? O ALA D 192 N LEU D 177 ? N LEU D 180 M 1 2 N MET C 165 ? N MET C 168 O PHE C 170 ? O PHE C 173 N 1 2 N THR D 5 ? N THR D 5 O ASN D 24 ? O ASN D 24 N 2 3 N VAL D 19 ? N VAL D 19 O LEU D 78 ? O LEU D 79 N 3 4 O ILE D 77 ? O ILE D 78 N LYS D 65 ? N LYS D 66 O 1 2 N ALA D 13 ? N ALA D 13 O THR D 112 ? O THR D 115 O 2 3 O THR D 109 ? O THR D 112 N TYR D 89 ? N TYR D 90 O 3 4 O VAL D 88 ? O VAL D 89 N GLN D 37 ? N GLN D 37 O 4 5 N TRP D 34 ? N TRP D 34 O ILE D 46 ? O ILE D 46 O 5 6 N TYR D 48 ? N TYR D 48 O GLU D 56 ? O GLU D 56 P 1 2 N ALA D 13 ? N ALA D 13 O THR D 112 ? O THR D 115 P 2 3 O THR D 109 ? O THR D 112 N TYR D 89 ? N TYR D 90 P 3 4 N SER D 93 ? N SER D 94 O PHE D 104 ? O PHE D 107 Q 1 2 O LYS D 164 ? O LYS D 167 N VAL D 161 ? N VAL D 164 Q 2 3 N SER D 158 ? N SER D 161 O GLN D 211 ? O GLN D 214 Q 3 4 N PHE D 214 ? N PHE D 217 O GLN D 233 ? O GLN D 236 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 400' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 401' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 314' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 315' AC5 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 501' AC6 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 502' AC7 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE DB3 A 650' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 3 ASN A 20 ? ASN A 20 . ? 1_555 ? 2 AC1 3 TRP A 23 ? TRP A 23 . ? 1_555 ? 3 AC1 3 NAG F . ? NAG A 401 . ? 1_555 ? 4 AC2 1 NAG E . ? NAG A 400 . ? 1_555 ? 5 AC3 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 6 AC3 4 SER A 24 ? SER A 24 . ? 1_555 ? 7 AC3 4 ASN A 42 ? ASN A 42 . ? 1_555 ? 8 AC3 4 NAG H . ? NAG A 315 . ? 1_555 ? 9 AC4 2 HOH L . ? HOH A 305 . ? 1_555 ? 10 AC4 2 NAG G . ? NAG A 314 . ? 1_555 ? 11 AC5 5 GLY A 130 ? GLY A 130 . ? 1_555 ? 12 AC5 5 GLN A 161 ? GLN A 161 . ? 1_555 ? 13 AC5 5 ASN A 165 ? ASN A 165 . ? 1_555 ? 14 AC5 5 HOH L . ? HOH A 316 . ? 1_555 ? 15 AC5 5 NAG J . ? NAG A 502 . ? 1_555 ? 16 AC6 3 GLY A 130 ? GLY A 130 . ? 1_555 ? 17 AC6 3 HOH L . ? HOH A 304 . ? 1_555 ? 18 AC6 3 NAG I . ? NAG A 501 . ? 1_555 ? 19 AC7 15 GLN A 14 ? GLN A 14 . ? 1_555 ? 20 AC7 15 PHE A 70 ? PHE A 70 . ? 1_555 ? 21 AC7 15 VAL A 72 ? VAL A 72 . ? 1_555 ? 22 AC7 15 TYR A 73 ? TYR A 73 . ? 1_555 ? 23 AC7 15 SER A 76 ? SER A 76 . ? 1_555 ? 24 AC7 15 PHE A 77 ? PHE A 77 . ? 1_555 ? 25 AC7 15 ASP A 80 ? ASP A 80 . ? 1_555 ? 26 AC7 15 TRP A 133 ? TRP A 133 . ? 1_555 ? 27 AC7 15 ASP A 153 ? ASP A 153 . ? 1_555 ? 28 AC7 15 GLY A 155 ? GLY A 155 . ? 1_555 ? 29 AC7 15 THR A 156 ? THR A 156 . ? 1_555 ? 30 AC7 15 PRO C 28 ? PRO C 28 . ? 1_555 ? 31 AC7 15 ASN C 30 ? ASN C 30 . ? 1_555 ? 32 AC7 15 ARG C 94 ? ARG C 95 . ? 1_555 ? 33 AC7 15 GLY C 95 ? GLY C 96 . ? 1_555 ? # _database_PDB_matrix.entry_id 3ARF _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3ARF _atom_sites.fract_transf_matrix[1][1] 0.016964 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.011488 _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] 0.004258 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ASN A 1 7 ? -34.875 -48.141 -84.264 1.00 78.80 ? 7 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? -33.578 -48.841 -84.023 1.00 75.90 ? 7 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? -32.367 -47.972 -84.384 1.00 72.60 ? 7 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? -32.105 -47.712 -85.563 1.00 72.60 ? 7 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? -33.537 -50.177 -84.788 1.00 77.37 ? 7 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? -34.355 -51.279 -84.111 1.00 80.34 ? 7 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? -34.069 -51.674 -82.976 1.00 79.82 ? 7 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? -35.363 -51.792 -84.818 1.00 83.49 ? 7 ASN A ND2 1 ATOM 9 N N . TYR A 1 8 ? -31.644 -47.519 -83.361 1.00 70.06 ? 8 TYR A N 1 ATOM 10 C CA . TYR A 1 8 ? -30.428 -46.718 -83.542 1.00 67.15 ? 8 TYR A CA 1 ATOM 11 C C . TYR A 1 8 ? -29.343 -47.119 -82.549 1.00 64.37 ? 8 TYR A C 1 ATOM 12 O O . TYR A 1 8 ? -29.594 -47.196 -81.344 1.00 64.39 ? 8 TYR A O 1 ATOM 13 C CB . TYR A 1 8 ? -30.727 -45.218 -83.422 1.00 67.55 ? 8 TYR A CB 1 ATOM 14 C CG . TYR A 1 8 ? -31.181 -44.591 -84.721 1.00 69.70 ? 8 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 8 ? -30.254 -44.166 -85.675 1.00 68.78 ? 8 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 8 ? -32.541 -44.430 -85.002 1.00 73.33 ? 8 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 8 ? -30.667 -43.594 -86.877 1.00 70.90 ? 8 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 8 ? -32.967 -43.856 -86.204 1.00 75.31 ? 8 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 8 ? -32.024 -43.442 -87.135 1.00 74.07 ? 8 TYR A CZ 1 ATOM 20 O OH . TYR A 1 8 ? -32.440 -42.878 -88.319 1.00 76.03 ? 8 TYR A OH 1 ATOM 21 N N . THR A 1 9 ? -28.142 -47.376 -83.065 1.00 62.16 ? 9 THR A N 1 ATOM 22 C CA . THR A 1 9 ? -27.019 -47.815 -82.238 1.00 59.58 ? 9 THR A CA 1 ATOM 23 C C . THR A 1 9 ? -25.979 -46.712 -82.092 1.00 57.59 ? 9 THR A C 1 ATOM 24 O O . THR A 1 9 ? -25.489 -46.165 -83.081 1.00 57.44 ? 9 THR A O 1 ATOM 25 C CB . THR A 1 9 ? -26.356 -49.096 -82.795 1.00 59.27 ? 9 THR A CB 1 ATOM 26 O OG1 . THR A 1 9 ? -27.367 -50.048 -83.140 1.00 61.38 ? 9 THR A OG1 1 ATOM 27 C CG2 . THR A 1 9 ? -25.425 -49.717 -81.763 1.00 57.50 ? 9 THR A CG2 1 ATOM 28 N N . PHE A 1 10 ? -25.655 -46.390 -80.847 1.00 56.36 ? 10 PHE A N 1 ATOM 29 C CA . PHE A 1 10 ? -24.659 -45.377 -80.542 1.00 54.90 ? 10 PHE A CA 1 ATOM 30 C C . PHE A 1 10 ? -23.404 -46.076 -80.048 1.00 53.44 ? 10 PHE A C 1 ATOM 31 O O . PHE A 1 10 ? -23.463 -46.844 -79.089 1.00 53.35 ? 10 PHE A O 1 ATOM 32 C CB . PHE A 1 10 ? -25.205 -44.418 -79.481 1.00 55.22 ? 10 PHE A CB 1 ATOM 33 C CG . PHE A 1 10 ? -24.198 -43.438 -78.964 1.00 53.39 ? 10 PHE A CG 1 ATOM 34 C CD1 . PHE A 1 10 ? -23.887 -42.296 -79.685 1.00 53.35 ? 10 PHE A CD1 1 ATOM 35 C CD2 . PHE A 1 10 ? -23.571 -43.649 -77.744 1.00 51.97 ? 10 PHE A CD2 1 ATOM 36 C CE1 . PHE A 1 10 ? -22.961 -41.384 -79.201 1.00 52.87 ? 10 PHE A CE1 1 ATOM 37 C CE2 . PHE A 1 10 ? -22.639 -42.741 -77.253 1.00 51.05 ? 10 PHE A CE2 1 ATOM 38 C CZ . PHE A 1 10 ? -22.336 -41.609 -77.982 1.00 51.60 ? 10 PHE A CZ 1 ATOM 39 N N . ARG A 1 11 ? -22.274 -45.819 -80.701 1.00 52.75 ? 11 ARG A N 1 ATOM 40 C CA . ARG A 1 11 ? -21.031 -46.517 -80.364 1.00 51.77 ? 11 ARG A CA 1 ATOM 41 C C . ARG A 1 11 ? -19.818 -45.621 -80.164 1.00 51.03 ? 11 ARG A C 1 ATOM 42 O O . ARG A 1 11 ? -19.510 -44.769 -81.002 1.00 51.44 ? 11 ARG A O 1 ATOM 43 C CB . ARG A 1 11 ? -20.710 -47.637 -81.369 1.00 52.07 ? 11 ARG A CB 1 ATOM 44 C CG . ARG A 1 11 ? -21.474 -47.578 -82.694 1.00 53.99 ? 11 ARG A CG 1 ATOM 45 C CD . ARG A 1 11 ? -21.232 -48.823 -83.541 1.00 55.33 ? 11 ARG A CD 1 ATOM 46 N NE . ARG A 1 11 ? -21.223 -50.052 -82.745 1.00 55.92 ? 11 ARG A NE 1 ATOM 47 C CZ . ARG A 1 11 ? -22.049 -51.081 -82.921 1.00 58.14 ? 11 ARG A CZ 1 ATOM 48 N NH1 . ARG A 1 11 ? -22.971 -51.056 -83.880 1.00 59.42 ? 11 ARG A NH1 1 ATOM 49 N NH2 . ARG A 1 11 ? -21.943 -52.150 -82.137 1.00 58.53 ? 11 ARG A NH2 1 ATOM 50 N N . CYS A 1 12 ? -19.153 -45.822 -79.028 1.00 50.29 ? 12 CYS A N 1 ATOM 51 C CA . CYS A 1 12 ? -17.839 -45.246 -78.771 1.00 49.89 ? 12 CYS A CA 1 ATOM 52 C C . CYS A 1 12 ? -16.791 -46.333 -78.985 1.00 49.45 ? 12 CYS A C 1 ATOM 53 O O . CYS A 1 12 ? -16.713 -47.305 -78.221 1.00 49.03 ? 12 CYS A O 1 ATOM 54 C CB . CYS A 1 12 ? -17.748 -44.658 -77.358 1.00 49.53 ? 12 CYS A CB 1 ATOM 55 S SG . CYS A 1 12 ? -18.948 -43.332 -77.032 0.70 51.37 ? 12 CYS A SG 1 ATOM 56 N N . LEU A 1 13 ? -16.012 -46.170 -80.051 1.00 49.75 ? 13 LEU A N 1 ATOM 57 C CA . LEU A 1 13 ? -14.950 -47.100 -80.387 1.00 49.69 ? 13 LEU A CA 1 ATOM 58 C C . LEU A 1 13 ? -13.610 -46.497 -80.011 1.00 49.87 ? 13 LEU A C 1 ATOM 59 O O . LEU A 1 13 ? -13.276 -45.389 -80.429 1.00 50.55 ? 13 LEU A O 1 ATOM 60 C CB . LEU A 1 13 ? -14.987 -47.454 -81.876 1.00 50.52 ? 13 LEU A CB 1 ATOM 61 C CG . LEU A 1 13 ? -16.328 -47.968 -82.412 1.00 50.72 ? 13 LEU A CG 1 ATOM 62 C CD1 . LEU A 1 13 ? -16.263 -48.243 -83.908 1.00 51.42 ? 13 LEU A CD1 1 ATOM 63 C CD2 . LEU A 1 13 ? -16.791 -49.203 -81.661 1.00 50.22 ? 13 LEU A CD2 1 ATOM 64 N N . GLN A 1 14 ? -12.861 -47.237 -79.200 1.00 49.64 ? 14 GLN A N 1 ATOM 65 C CA . GLN A 1 14 ? -11.540 -46.835 -78.753 1.00 50.01 ? 14 GLN A CA 1 ATOM 66 C C . GLN A 1 14 ? -10.504 -47.857 -79.214 1.00 50.92 ? 14 GLN A C 1 ATOM 67 O O . GLN A 1 14 ? -10.739 -49.071 -79.124 1.00 50.71 ? 14 GLN A O 1 ATOM 68 C CB . GLN A 1 14 ? -11.534 -46.750 -77.233 1.00 49.35 ? 14 GLN A CB 1 ATOM 69 C CG . GLN A 1 14 ? -10.213 -46.339 -76.623 1.00 50.21 ? 14 GLN A CG 1 ATOM 70 C CD . GLN A 1 14 ? -10.229 -46.442 -75.120 1.00 50.27 ? 14 GLN A CD 1 ATOM 71 O OE1 . GLN A 1 14 ? -10.320 -45.432 -74.421 1.00 50.97 ? 14 GLN A OE1 1 ATOM 72 N NE2 . GLN A 1 14 ? -10.158 -47.667 -74.608 1.00 49.99 ? 14 GLN A NE2 1 ATOM 73 N N . MET A 1 15 ? -9.371 -47.366 -79.719 1.00 52.15 ? 15 MET A N 1 ATOM 74 C CA . MET A 1 15 ? -8.224 -48.229 -80.009 1.00 53.38 ? 15 MET A CA 1 ATOM 75 C C . MET A 1 15 ? -6.951 -47.726 -79.327 1.00 54.27 ? 15 MET A C 1 ATOM 76 O O . MET A 1 15 ? -6.553 -46.572 -79.500 1.00 55.18 ? 15 MET A O 1 ATOM 77 C CB . MET A 1 15 ? -8.022 -48.459 -81.522 1.00 54.83 ? 15 MET A CB 1 ATOM 78 C CG . MET A 1 15 ? -7.669 -47.232 -82.368 1.00 56.11 ? 15 MET A CG 1 ATOM 79 S SD . MET A 1 15 ? -9.090 -46.308 -82.991 1.00 55.86 ? 15 MET A SD 1 ATOM 80 C CE . MET A 1 15 ? -9.771 -47.442 -84.184 1.00 56.18 ? 15 MET A CE 1 ATOM 81 N N . SER A 1 16 ? -6.339 -48.602 -78.533 1.00 54.36 ? 16 SER A N 1 ATOM 82 C CA . SER A 1 16 ? -5.104 -48.300 -77.821 1.00 55.42 ? 16 SER A CA 1 ATOM 83 C C . SER A 1 16 ? -3.976 -49.218 -78.267 1.00 57.31 ? 16 SER A C 1 ATOM 84 O O . SER A 1 16 ? -4.136 -50.441 -78.315 1.00 57.28 ? 16 SER A O 1 ATOM 85 C CB . SER A 1 16 ? -5.308 -48.443 -76.317 1.00 54.29 ? 16 SER A CB 1 ATOM 86 O OG . SER A 1 16 ? -6.134 -47.411 -75.821 1.00 53.67 ? 16 SER A OG 1 ATOM 87 N N . SER A 1 17 ? -2.834 -48.619 -78.589 1.00 59.35 ? 17 SER A N 1 ATOM 88 C CA . SER A 1 17 ? -1.648 -49.374 -78.967 1.00 61.57 ? 17 SER A CA 1 ATOM 89 C C . SER A 1 17 ? -0.565 -49.220 -77.907 1.00 62.84 ? 17 SER A C 1 ATOM 90 O O . SER A 1 17 ? -0.269 -48.107 -77.468 1.00 63.20 ? 17 SER A O 1 ATOM 91 C CB . SER A 1 17 ? -1.130 -48.911 -80.329 1.00 63.72 ? 17 SER A CB 1 ATOM 92 O OG . SER A 1 17 ? -2.138 -49.011 -81.319 1.00 62.67 ? 17 SER A OG 1 ATOM 93 N N . PHE A 1 18 ? 0.004 -50.347 -77.489 1.00 63.75 ? 18 PHE A N 1 ATOM 94 C CA . PHE A 1 18 ? 1.133 -50.362 -76.567 1.00 65.55 ? 18 PHE A CA 1 ATOM 95 C C . PHE A 1 18 ? 2.300 -51.075 -77.231 1.00 68.86 ? 18 PHE A C 1 ATOM 96 O O . PHE A 1 18 ? 2.294 -52.302 -77.353 1.00 69.32 ? 18 PHE A O 1 ATOM 97 C CB . PHE A 1 18 ? 0.756 -51.060 -75.258 1.00 63.95 ? 18 PHE A CB 1 ATOM 98 C CG . PHE A 1 18 ? -0.341 -50.369 -74.499 1.00 61.24 ? 18 PHE A CG 1 ATOM 99 C CD1 . PHE A 1 18 ? -1.658 -50.807 -74.601 1.00 58.68 ? 18 PHE A CD1 1 ATOM 100 C CD2 . PHE A 1 18 ? -0.059 -49.279 -73.683 1.00 61.04 ? 18 PHE A CD2 1 ATOM 101 C CE1 . PHE A 1 18 ? -2.674 -50.169 -73.903 1.00 56.48 ? 18 PHE A CE1 1 ATOM 102 C CE2 . PHE A 1 18 ? -1.068 -48.635 -72.986 1.00 58.92 ? 18 PHE A CE2 1 ATOM 103 C CZ . PHE A 1 18 ? -2.379 -49.080 -73.096 1.00 56.82 ? 18 PHE A CZ 1 ATOM 104 N N . ALA A 1 19 ? 3.291 -50.303 -77.671 1.00 71.62 ? 19 ALA A N 1 ATOM 105 C CA . ALA A 1 19 ? 4.420 -50.852 -78.419 1.00 75.29 ? 19 ALA A CA 1 ATOM 106 C C . ALA A 1 19 ? 5.481 -51.449 -77.507 1.00 77.51 ? 19 ALA A C 1 ATOM 107 O O . ALA A 1 19 ? 6.079 -52.477 -77.832 1.00 79.65 ? 19 ALA A O 1 ATOM 108 C CB . ALA A 1 19 ? 5.031 -49.794 -79.321 1.00 77.80 ? 19 ALA A CB 1 ATOM 109 N N . ASN A 1 20 ? 5.717 -50.786 -76.376 1.00 77.33 ? 20 ASN A N 1 ATOM 110 C CA . ASN A 1 20 ? 6.716 -51.215 -75.396 1.00 79.58 ? 20 ASN A CA 1 ATOM 111 C C . ASN A 1 20 ? 6.422 -50.660 -74.007 1.00 77.64 ? 20 ASN A C 1 ATOM 112 O O . ASN A 1 20 ? 5.297 -50.241 -73.724 1.00 74.45 ? 20 ASN A O 1 ATOM 113 C CB . ASN A 1 20 ? 8.138 -50.841 -75.846 1.00 84.29 ? 20 ASN A CB 1 ATOM 114 C CG . ASN A 1 20 ? 8.225 -49.433 -76.402 1.00 86.06 ? 20 ASN A CG 1 ATOM 115 O OD1 . ASN A 1 20 ? 7.801 -48.469 -75.758 1.00 84.88 ? 20 ASN A OD1 1 ATOM 116 N ND2 . ASN A 1 20 ? 8.782 -49.309 -77.608 1.00 90.21 ? 20 ASN A ND2 1 ATOM 117 N N . ARG A 1 21 ? 7.442 -50.650 -73.153 1.00 79.92 ? 21 ARG A N 1 ATOM 118 C CA . ARG A 1 21 ? 7.298 -50.274 -71.748 1.00 78.59 ? 21 ARG A CA 1 ATOM 119 C C . ARG A 1 21 ? 6.868 -48.816 -71.554 1.00 77.42 ? 21 ARG A C 1 ATOM 120 O O . ARG A 1 21 ? 6.212 -48.493 -70.565 1.00 75.36 ? 21 ARG A O 1 ATOM 121 C CB . ARG A 1 21 ? 8.602 -50.560 -70.994 1.00 82.17 ? 21 ARG A CB 1 ATOM 122 C CG . ARG A 1 21 ? 8.410 -51.057 -69.568 1.00 81.03 ? 21 ARG A CG 1 ATOM 123 N N . SER A 1 22 ? 7.222 -47.947 -72.501 1.00 78.96 ? 22 SER A N 1 ATOM 124 C CA . SER A 1 22 ? 6.933 -46.514 -72.379 1.00 78.68 ? 22 SER A CA 1 ATOM 125 C C . SER A 1 22 ? 6.053 -45.923 -73.487 1.00 76.98 ? 22 SER A C 1 ATOM 126 O O . SER A 1 22 ? 5.275 -45.004 -73.223 1.00 75.54 ? 22 SER A O 1 ATOM 127 C CB . SER A 1 22 ? 8.229 -45.712 -72.266 1.00 83.04 ? 22 SER A CB 1 ATOM 128 O OG . SER A 1 22 ? 9.017 -45.872 -73.429 1.00 85.99 ? 22 SER A OG 1 ATOM 129 N N . TRP A 1 23 ? 6.173 -46.432 -74.713 1.00 77.42 ? 23 TRP A N 1 ATOM 130 C CA . TRP A 1 23 ? 5.406 -45.890 -75.843 1.00 76.11 ? 23 TRP A CA 1 ATOM 131 C C . TRP A 1 23 ? 3.971 -46.420 -75.892 1.00 71.83 ? 23 TRP A C 1 ATOM 132 O O . TRP A 1 23 ? 3.736 -47.627 -75.770 1.00 70.61 ? 23 TRP A O 1 ATOM 133 C CB . TRP A 1 23 ? 6.116 -46.164 -77.170 1.00 78.94 ? 23 TRP A CB 1 ATOM 134 C CG . TRP A 1 23 ? 5.594 -45.365 -78.338 1.00 78.89 ? 23 TRP A CG 1 ATOM 135 C CD1 . TRP A 1 23 ? 6.102 -44.191 -78.822 1.00 81.80 ? 23 TRP A CD1 1 ATOM 136 C CD2 . TRP A 1 23 ? 4.479 -45.694 -79.177 1.00 76.14 ? 23 TRP A CD2 1 ATOM 137 N NE1 . TRP A 1 23 ? 5.369 -43.765 -79.903 1.00 80.89 ? 23 TRP A NE1 1 ATOM 138 C CE2 . TRP A 1 23 ? 4.366 -44.667 -80.143 1.00 77.48 ? 23 TRP A CE2 1 ATOM 139 C CE3 . TRP A 1 23 ? 3.559 -46.751 -79.204 1.00 72.92 ? 23 TRP A CE3 1 ATOM 140 C CZ2 . TRP A 1 23 ? 3.369 -44.668 -81.126 1.00 75.78 ? 23 TRP A CZ2 1 ATOM 141 C CZ3 . TRP A 1 23 ? 2.569 -46.753 -80.182 1.00 71.39 ? 23 TRP A CZ3 1 ATOM 142 C CH2 . TRP A 1 23 ? 2.484 -45.717 -81.130 1.00 72.72 ? 23 TRP A CH2 1 ATOM 143 N N . SER A 1 24 ? 3.024 -45.501 -76.084 1.00 69.88 ? 24 SER A N 1 ATOM 144 C CA . SER A 1 24 ? 1.599 -45.819 -76.157 1.00 66.01 ? 24 SER A CA 1 ATOM 145 C C . SER A 1 24 ? 0.814 -44.680 -76.791 1.00 65.27 ? 24 SER A C 1 ATOM 146 O O . SER A 1 24 ? 1.211 -43.517 -76.688 1.00 67.02 ? 24 SER A O 1 ATOM 147 C CB . SER A 1 24 ? 1.038 -46.087 -74.759 1.00 63.86 ? 24 SER A CB 1 ATOM 148 N N . ARG A 1 25 ? -0.294 -45.019 -77.450 1.00 62.99 ? 25 ARG A N 1 ATOM 149 C CA . ARG A 1 25 ? -1.279 -44.021 -77.882 1.00 61.97 ? 25 ARG A CA 1 ATOM 150 C C . ARG A 1 25 ? -2.699 -44.579 -77.907 1.00 59.02 ? 25 ARG A C 1 ATOM 151 O O . ARG A 1 25 ? -2.914 -45.731 -78.287 1.00 58.32 ? 25 ARG A O 1 ATOM 152 C CB . ARG A 1 25 ? -0.909 -43.392 -79.233 1.00 64.21 ? 25 ARG A CB 1 ATOM 153 C CG . ARG A 1 25 ? -1.079 -44.278 -80.465 1.00 63.87 ? 25 ARG A CG 1 ATOM 154 C CD . ARG A 1 25 ? -0.869 -43.466 -81.735 1.00 65.41 ? 25 ARG A CD 1 ATOM 155 N NE . ARG A 1 25 ? -1.899 -42.441 -81.898 1.00 63.79 ? 25 ARG A NE 1 ATOM 156 C CZ . ARG A 1 25 ? -1.760 -41.334 -82.622 1.00 65.77 ? 25 ARG A CZ 1 ATOM 157 N NH1 . ARG A 1 25 ? -0.624 -41.082 -83.261 1.00 69.30 ? 25 ARG A NH1 1 ATOM 158 N NH2 . ARG A 1 25 ? -2.762 -40.469 -82.701 1.00 64.62 ? 25 ARG A NH2 1 ATOM 159 N N . THR A 1 26 ? -3.654 -43.751 -77.487 1.00 57.78 ? 26 THR A N 1 ATOM 160 C CA . THR A 1 26 ? -5.070 -44.115 -77.476 1.00 55.46 ? 26 THR A CA 1 ATOM 161 C C . THR A 1 26 ? -5.858 -43.164 -78.370 1.00 55.77 ? 26 THR A C 1 ATOM 162 O O . THR A 1 26 ? -5.812 -41.943 -78.187 1.00 56.85 ? 26 THR A O 1 ATOM 163 C CB . THR A 1 26 ? -5.653 -44.114 -76.034 1.00 53.97 ? 26 THR A CB 1 ATOM 164 O OG1 . THR A 1 26 ? -5.166 -45.254 -75.320 1.00 53.46 ? 26 THR A OG1 1 ATOM 165 C CG2 . THR A 1 26 ? -7.177 -44.165 -76.041 1.00 52.08 ? 26 THR A CG2 1 ATOM 166 N N . ASP A 1 27 ? -6.568 -43.737 -79.339 1.00 55.15 ? 27 ASP A N 1 ATOM 167 C CA . ASP A 1 27 ? -7.426 -42.979 -80.243 1.00 55.44 ? 27 ASP A CA 1 ATOM 168 C C . ASP A 1 27 ? -8.865 -43.472 -80.147 1.00 53.58 ? 27 ASP A C 1 ATOM 169 O O . ASP A 1 27 ? -9.113 -44.677 -80.039 1.00 52.56 ? 27 ASP A O 1 ATOM 170 C CB . ASP A 1 27 ? -6.929 -43.101 -81.685 1.00 57.11 ? 27 ASP A CB 1 ATOM 171 C CG . ASP A 1 27 ? -5.624 -42.358 -81.924 1.00 59.88 ? 27 ASP A CG 1 ATOM 172 O OD1 . ASP A 1 27 ? -5.546 -41.149 -81.611 1.00 60.70 ? 27 ASP A OD1 1 ATOM 173 O OD2 . ASP A 1 27 ? -4.679 -42.985 -82.449 1.00 61.52 ? 27 ASP A OD2 1 ATOM 174 N N . SER A 1 28 ? -9.811 -42.536 -80.193 1.00 53.56 ? 28 SER A N 1 ATOM 175 C CA . SER A 1 28 ? -11.229 -42.868 -80.070 1.00 52.24 ? 28 SER A CA 1 ATOM 176 C C . SER A 1 28 ? -12.100 -42.099 -81.060 1.00 52.81 ? 28 SER A C 1 ATOM 177 O O . SER A 1 28 ? -11.865 -40.917 -81.324 1.00 54.23 ? 28 SER A O 1 ATOM 178 C CB . SER A 1 28 ? -11.720 -42.603 -78.643 1.00 51.48 ? 28 SER A CB 1 ATOM 179 O OG . SER A 1 28 ? -10.849 -43.170 -77.675 1.00 51.81 ? 28 SER A OG 1 ATOM 180 N N . VAL A 1 29 ? -13.104 -42.786 -81.601 1.00 52.00 ? 29 VAL A N 1 ATOM 181 C CA . VAL A 1 29 ? -14.133 -42.159 -82.436 1.00 52.59 ? 29 VAL A CA 1 ATOM 182 C C . VAL A 1 29 ? -15.530 -42.518 -81.943 1.00 51.60 ? 29 VAL A C 1 ATOM 183 O O . VAL A 1 29 ? -15.721 -43.557 -81.300 1.00 50.65 ? 29 VAL A O 1 ATOM 184 C CB . VAL A 1 29 ? -14.008 -42.538 -83.930 1.00 53.62 ? 29 VAL A CB 1 ATOM 185 C CG1 . VAL A 1 29 ? -12.799 -41.857 -84.552 1.00 55.48 ? 29 VAL A CG1 1 ATOM 186 C CG2 . VAL A 1 29 ? -13.963 -44.063 -84.118 1.00 52.91 ? 29 VAL A CG2 1 ATOM 187 N N . VAL A 1 30 ? -16.502 -41.663 -82.253 1.00 52.14 ? 30 VAL A N 1 ATOM 188 C CA . VAL A 1 30 ? -17.869 -41.857 -81.782 1.00 51.59 ? 30 VAL A CA 1 ATOM 189 C C . VAL A 1 30 ? -18.879 -41.794 -82.923 1.00 52.55 ? 30 VAL A C 1 ATOM 190 O O . VAL A 1 30 ? -18.990 -40.775 -83.606 1.00 53.73 ? 30 VAL A O 1 ATOM 191 C CB . VAL A 1 30 ? -18.231 -40.837 -80.683 1.00 51.82 ? 30 VAL A CB 1 ATOM 192 C CG1 . VAL A 1 30 ? -19.670 -41.000 -80.255 1.00 52.00 ? 30 VAL A CG1 1 ATOM 193 C CG2 . VAL A 1 30 ? -17.309 -40.999 -79.485 1.00 50.84 ? 30 VAL A CG2 1 ATOM 194 N N . TRP A 1 31 ? -19.614 -42.893 -83.104 1.00 52.28 ? 31 TRP A N 1 ATOM 195 C CA . TRP A 1 31 ? -20.616 -43.022 -84.164 1.00 53.53 ? 31 TRP A CA 1 ATOM 196 C C . TRP A 1 31 ? -22.037 -43.167 -83.617 1.00 54.06 ? 31 TRP A C 1 ATOM 197 O O . TRP A 1 31 ? -22.287 -43.995 -82.738 1.00 53.44 ? 31 TRP A O 1 ATOM 198 C CB . TRP A 1 31 ? -20.321 -44.251 -85.029 1.00 53.64 ? 31 TRP A CB 1 ATOM 199 C CG . TRP A 1 31 ? -18.986 -44.259 -85.704 1.00 53.58 ? 31 TRP A CG 1 ATOM 200 C CD1 . TRP A 1 31 ? -17.808 -44.689 -85.176 1.00 52.65 ? 31 TRP A CD1 1 ATOM 201 C CD2 . TRP A 1 31 ? -18.698 -43.845 -87.048 1.00 54.97 ? 31 TRP A CD2 1 ATOM 202 N NE1 . TRP A 1 31 ? -16.798 -44.558 -86.097 1.00 53.69 ? 31 TRP A NE1 1 ATOM 203 C CE2 . TRP A 1 31 ? -17.316 -44.042 -87.256 1.00 54.93 ? 31 TRP A CE2 1 ATOM 204 C CE3 . TRP A 1 31 ? -19.472 -43.323 -88.093 1.00 56.43 ? 31 TRP A CE3 1 ATOM 205 C CZ2 . TRP A 1 31 ? -16.688 -43.734 -88.469 1.00 56.38 ? 31 TRP A CZ2 1 ATOM 206 C CZ3 . TRP A 1 31 ? -18.847 -43.016 -89.299 1.00 57.68 ? 31 TRP A CZ3 1 ATOM 207 C CH2 . TRP A 1 31 ? -17.469 -43.224 -89.475 1.00 57.64 ? 31 TRP A CH2 1 ATOM 208 N N . LEU A 1 32 ? -22.962 -42.364 -84.144 1.00 55.61 ? 32 LEU A N 1 ATOM 209 C CA . LEU A 1 32 ? -24.395 -42.587 -83.938 1.00 56.76 ? 32 LEU A CA 1 ATOM 210 C C . LEU A 1 32 ? -25.011 -43.072 -85.242 1.00 58.26 ? 32 LEU A C 1 ATOM 211 O O . LEU A 1 32 ? -24.996 -42.355 -86.245 1.00 59.34 ? 32 LEU A O 1 ATOM 212 C CB . LEU A 1 32 ? -25.107 -41.316 -83.465 1.00 57.90 ? 32 LEU A CB 1 ATOM 213 C CG . LEU A 1 32 ? -26.644 -41.359 -83.395 1.00 59.66 ? 32 LEU A CG 1 ATOM 214 C CD1 . LEU A 1 32 ? -27.145 -42.329 -82.325 1.00 59.23 ? 32 LEU A CD1 1 ATOM 215 C CD2 . LEU A 1 32 ? -27.225 -39.973 -83.166 1.00 61.14 ? 32 LEU A CD2 1 ATOM 216 N N . GLY A 1 33 ? -25.557 -44.286 -85.218 1.00 58.69 ? 33 GLY A N 1 ATOM 217 C CA . GLY A 1 33 ? -26.071 -44.932 -86.426 1.00 60.25 ? 33 GLY A CA 1 ATOM 218 C C . GLY A 1 33 ? -24.895 -45.224 -87.330 1.00 59.71 ? 33 GLY A C 1 ATOM 219 O O . GLY A 1 33 ? -24.160 -46.186 -87.104 1.00 58.73 ? 33 GLY A O 1 ATOM 220 N N . ASP A 1 34 ? -24.717 -44.383 -88.347 1.00 60.63 ? 34 ASP A N 1 ATOM 221 C CA . ASP A 1 34 ? -23.480 -44.368 -89.134 1.00 60.27 ? 34 ASP A CA 1 ATOM 222 C C . ASP A 1 34 ? -23.062 -42.944 -89.533 1.00 60.64 ? 34 ASP A C 1 ATOM 223 O O . ASP A 1 34 ? -22.721 -42.674 -90.686 1.00 61.85 ? 34 ASP A O 1 ATOM 224 C CB . ASP A 1 34 ? -23.543 -45.331 -90.335 1.00 61.62 ? 34 ASP A CB 1 ATOM 225 C CG . ASP A 1 34 ? -24.730 -45.076 -91.244 1.00 64.07 ? 34 ASP A CG 1 ATOM 226 O OD1 . ASP A 1 34 ? -25.304 -43.963 -91.215 1.00 65.08 ? 34 ASP A OD1 1 ATOM 227 O OD2 . ASP A 1 34 ? -25.084 -46.003 -92.005 1.00 65.51 ? 34 ASP A OD2 1 ATOM 228 N N . LEU A 1 35 ? -23.103 -42.044 -88.554 1.00 59.88 ? 35 LEU A N 1 ATOM 229 C CA . LEU A 1 35 ? -22.549 -40.699 -88.691 1.00 60.40 ? 35 LEU A CA 1 ATOM 230 C C . LEU A 1 35 ? -21.572 -40.469 -87.549 1.00 58.83 ? 35 LEU A C 1 ATOM 231 O O . LEU A 1 35 ? -21.907 -40.692 -86.386 1.00 57.76 ? 35 LEU A O 1 ATOM 232 C CB . LEU A 1 35 ? -23.649 -39.629 -88.663 1.00 61.83 ? 35 LEU A CB 1 ATOM 233 C CG . LEU A 1 35 ? -24.775 -39.667 -89.702 1.00 63.54 ? 35 LEU A CG 1 ATOM 234 C CD1 . LEU A 1 35 ? -25.873 -38.697 -89.318 1.00 64.95 ? 35 LEU A CD1 1 ATOM 235 C CD2 . LEU A 1 35 ? -24.267 -39.368 -91.098 1.00 64.64 ? 35 LEU A CD2 1 ATOM 236 N N . GLN A 1 36 ? -20.361 -40.040 -87.883 1.00 59.11 ? 36 GLN A N 1 ATOM 237 C CA . GLN A 1 36 ? -19.344 -39.783 -86.875 1.00 58.18 ? 36 GLN A CA 1 ATOM 238 C C . GLN A 1 36 ? -19.639 -38.455 -86.185 1.00 59.07 ? 36 GLN A C 1 ATOM 239 O O . GLN A 1 36 ? -19.691 -37.408 -86.834 1.00 61.07 ? 36 GLN A O 1 ATOM 240 C CB . GLN A 1 36 ? -17.951 -39.775 -87.507 1.00 58.67 ? 36 GLN A CB 1 ATOM 241 C CG . GLN A 1 36 ? -16.820 -39.964 -86.509 1.00 57.86 ? 36 GLN A CG 1 ATOM 242 C CD . GLN A 1 36 ? -15.440 -39.795 -87.125 1.00 59.67 ? 36 GLN A CD 1 ATOM 243 O OE1 . GLN A 1 36 ? -15.224 -40.083 -88.306 1.00 61.09 ? 36 GLN A OE1 1 ATOM 244 N NE2 . GLN A 1 36 ? -14.492 -39.332 -86.318 1.00 60.05 ? 36 GLN A NE2 1 ATOM 245 N N . THR A 1 37 ? -19.847 -38.506 -84.872 1.00 58.01 ? 37 THR A N 1 ATOM 246 C CA . THR A 1 37 ? -20.163 -37.303 -84.101 1.00 59.11 ? 37 THR A CA 1 ATOM 247 C C . THR A 1 37 ? -18.957 -36.750 -83.340 1.00 59.01 ? 37 THR A C 1 ATOM 248 O O . THR A 1 37 ? -18.771 -35.535 -83.281 1.00 60.88 ? 37 THR A O 1 ATOM 249 C CB . THR A 1 37 ? -21.341 -37.518 -83.125 1.00 58.71 ? 37 THR A CB 1 ATOM 250 O OG1 . THR A 1 37 ? -21.061 -38.628 -82.263 1.00 57.16 ? 37 THR A OG1 1 ATOM 251 C CG2 . THR A 1 37 ? -22.632 -37.782 -83.889 1.00 59.60 ? 37 THR A CG2 1 ATOM 252 N N . HIS A 1 38 ? -18.141 -37.635 -82.773 1.00 57.32 ? 38 HIS A N 1 ATOM 253 C CA . HIS A 1 38 ? -16.968 -37.211 -82.012 1.00 57.37 ? 38 HIS A CA 1 ATOM 254 C C . HIS A 1 38 ? -15.670 -37.871 -82.474 1.00 57.04 ? 38 HIS A C 1 ATOM 255 O O . HIS A 1 38 ? -15.624 -39.077 -82.724 1.00 55.67 ? 38 HIS A O 1 ATOM 256 C CB . HIS A 1 38 ? -17.146 -37.495 -80.520 1.00 56.12 ? 38 HIS A CB 1 ATOM 257 C CG . HIS A 1 38 ? -18.412 -36.956 -79.938 1.00 56.62 ? 38 HIS A CG 1 ATOM 258 N ND1 . HIS A 1 38 ? -19.602 -37.650 -79.978 1.00 55.89 ? 38 HIS A ND1 1 ATOM 259 C CD2 . HIS A 1 38 ? -18.669 -35.801 -79.280 1.00 58.11 ? 38 HIS A CD2 1 ATOM 260 C CE1 . HIS A 1 38 ? -20.541 -36.940 -79.379 1.00 57.43 ? 38 HIS A CE1 1 ATOM 261 N NE2 . HIS A 1 38 ? -20.002 -35.813 -78.947 1.00 58.58 ? 38 HIS A NE2 1 ATOM 262 N N . ARG A 1 39 ? -14.622 -37.059 -82.579 1.00 58.70 ? 39 ARG A N 1 ATOM 263 C CA . ARG A 1 39 ? -13.257 -37.554 -82.699 1.00 58.83 ? 39 ARG A CA 1 ATOM 264 C C . ARG A 1 39 ? -12.466 -37.116 -81.470 1.00 59.19 ? 39 ARG A C 1 ATOM 265 O O . ARG A 1 39 ? -12.706 -36.040 -80.912 1.00 60.34 ? 39 ARG A O 1 ATOM 266 C CB . ARG A 1 39 ? -12.576 -37.054 -83.981 1.00 61.03 ? 39 ARG A CB 1 ATOM 267 C CG . ARG A 1 39 ? -12.331 -35.540 -84.052 1.00 63.77 ? 39 ARG A CG 1 ATOM 268 C CD . ARG A 1 39 ? -11.186 -35.182 -84.999 1.00 66.44 ? 39 ARG A CD 1 ATOM 269 N NE . ARG A 1 39 ? -11.383 -35.729 -86.342 1.00 67.21 ? 39 ARG A NE 1 ATOM 270 C CZ . ARG A 1 39 ? -11.964 -35.084 -87.351 0.70 68.91 ? 39 ARG A CZ 1 ATOM 271 N NH1 . ARG A 1 39 ? -12.415 -33.844 -87.192 0.70 70.62 ? 39 ARG A NH1 1 ATOM 272 N NH2 . ARG A 1 39 ? -12.091 -35.682 -88.530 0.70 69.03 ? 39 ARG A NH2 1 ATOM 273 N N . TRP A 1 40 ? -11.544 -37.970 -81.042 1.00 58.42 ? 40 TRP A N 1 ATOM 274 C CA . TRP A 1 40 ? -10.619 -37.638 -79.973 1.00 59.09 ? 40 TRP A CA 1 ATOM 275 C C . TRP A 1 40 ? -9.307 -38.360 -80.221 1.00 59.57 ? 40 TRP A C 1 ATOM 276 O O . TRP A 1 40 ? -9.164 -39.550 -79.918 1.00 58.04 ? 40 TRP A O 1 ATOM 277 C CB . TRP A 1 40 ? -11.201 -37.992 -78.603 1.00 57.43 ? 40 TRP A CB 1 ATOM 278 C CG . TRP A 1 40 ? -10.418 -37.432 -77.440 1.00 58.63 ? 40 TRP A CG 1 ATOM 279 C CD1 . TRP A 1 40 ? -9.607 -36.327 -77.446 1.00 61.17 ? 40 TRP A CD1 1 ATOM 280 C CD2 . TRP A 1 40 ? -10.401 -37.932 -76.097 1.00 57.67 ? 40 TRP A CD2 1 ATOM 281 N NE1 . TRP A 1 40 ? -9.075 -36.120 -76.195 1.00 61.72 ? 40 TRP A NE1 1 ATOM 282 C CE2 . TRP A 1 40 ? -9.545 -37.088 -75.347 1.00 59.57 ? 40 TRP A CE2 1 ATOM 283 C CE3 . TRP A 1 40 ? -11.017 -39.015 -75.455 1.00 55.43 ? 40 TRP A CE3 1 ATOM 284 C CZ2 . TRP A 1 40 ? -9.290 -37.295 -73.988 1.00 59.17 ? 40 TRP A CZ2 1 ATOM 285 C CZ3 . TRP A 1 40 ? -10.763 -39.219 -74.102 1.00 55.38 ? 40 TRP A CZ3 1 ATOM 286 C CH2 . TRP A 1 40 ? -9.907 -38.362 -73.385 1.00 57.10 ? 40 TRP A CH2 1 ATOM 287 N N . SER A 1 41 ? -8.362 -37.631 -80.804 1.00 62.17 ? 41 SER A N 1 ATOM 288 C CA . SER A 1 41 ? -7.057 -38.175 -81.125 1.00 63.37 ? 41 SER A CA 1 ATOM 289 C C . SER A 1 41 ? -6.120 -38.035 -79.935 1.00 64.01 ? 41 SER A C 1 ATOM 290 O O . SER A 1 41 ? -6.247 -37.094 -79.153 1.00 64.80 ? 41 SER A O 1 ATOM 291 C CB . SER A 1 41 ? -6.475 -37.461 -82.342 1.00 66.31 ? 41 SER A CB 1 ATOM 292 O OG . SER A 1 41 ? -5.274 -38.087 -82.759 1.00 68.05 ? 41 SER A OG 1 ATOM 293 N N . ASN A 1 42 ? -5.181 -38.974 -79.810 1.00 64.03 ? 42 ASN A N 1 ATOM 294 C CA . ASN A 1 42 ? -4.178 -38.953 -78.741 1.00 64.91 ? 42 ASN A CA 1 ATOM 295 C C . ASN A 1 42 ? -3.398 -37.644 -78.709 1.00 68.15 ? 42 ASN A C 1 ATOM 296 O O . ASN A 1 42 ? -2.953 -37.202 -77.651 1.00 69.07 ? 42 ASN A O 1 ATOM 297 C CB . ASN A 1 42 ? -3.211 -40.136 -78.870 1.00 65.07 ? 42 ASN A CB 1 ATOM 298 C CG . ASN A 1 42 ? -2.358 -40.325 -77.631 1.00 65.91 ? 42 ASN A CG 1 ATOM 299 O OD1 . ASN A 1 42 ? -2.855 -40.748 -76.587 1.00 64.22 ? 42 ASN A OD1 1 ATOM 300 N ND2 . ASN A 1 42 ? -1.065 -40.008 -77.741 1.00 69.54 ? 42 ASN A ND2 1 ATOM 301 N N . ASP A 1 43 ? -3.255 -37.030 -79.879 1.00 70.23 ? 43 ASP A N 1 ATOM 302 C CA . ASP A 1 43 ? -2.535 -35.770 -80.040 1.00 74.08 ? 43 ASP A CA 1 ATOM 303 C C . ASP A 1 43 ? -3.236 -34.582 -79.362 1.00 74.46 ? 43 ASP A C 1 ATOM 304 O O . ASP A 1 43 ? -2.604 -33.561 -79.085 1.00 77.68 ? 43 ASP A O 1 ATOM 305 C CB . ASP A 1 43 ? -2.311 -35.490 -81.531 1.00 76.37 ? 43 ASP A CB 1 ATOM 306 C CG . ASP A 1 43 ? -1.692 -36.680 -82.267 1.00 76.59 ? 43 ASP A CG 1 ATOM 307 O OD1 . ASP A 1 43 ? -0.651 -37.203 -81.808 1.00 77.95 ? 43 ASP A OD1 1 ATOM 308 O OD2 . ASP A 1 43 ? -2.247 -37.093 -83.310 1.00 75.75 ? 43 ASP A OD2 1 ATOM 309 N N . SER A 1 44 ? -4.534 -34.727 -79.093 1.00 71.51 ? 44 SER A N 1 ATOM 310 C CA . SER A 1 44 ? -5.327 -33.686 -78.433 1.00 71.85 ? 44 SER A CA 1 ATOM 311 C C . SER A 1 44 ? -5.836 -34.146 -77.065 1.00 69.40 ? 44 SER A C 1 ATOM 312 O O . SER A 1 44 ? -6.056 -35.338 -76.842 1.00 66.75 ? 44 SER A O 1 ATOM 313 C CB . SER A 1 44 ? -6.505 -33.273 -79.320 1.00 71.39 ? 44 SER A CB 1 ATOM 314 O OG . SER A 1 44 ? -7.268 -32.236 -78.726 1.00 72.09 ? 44 SER A OG 1 ATOM 315 N N . ALA A 1 45 ? -6.021 -33.197 -76.151 1.00 70.66 ? 45 ALA A N 1 ATOM 316 C CA . ALA A 1 45 ? -6.562 -33.501 -74.828 1.00 68.68 ? 45 ALA A CA 1 ATOM 317 C C . ALA A 1 45 ? -7.999 -32.992 -74.678 1.00 67.80 ? 45 ALA A C 1 ATOM 318 O O . ALA A 1 45 ? -8.456 -32.697 -73.572 1.00 67.79 ? 45 ALA A O 1 ATOM 319 C CB . ALA A 1 45 ? -5.660 -32.933 -73.740 1.00 71.17 ? 45 ALA A CB 1 ATOM 320 N N . THR A 1 46 ? -8.703 -32.904 -75.804 1.00 67.24 ? 46 THR A N 1 ATOM 321 C CA . THR A 1 46 ? -10.087 -32.440 -75.839 1.00 66.69 ? 46 THR A CA 1 ATOM 322 C C . THR A 1 46 ? -10.894 -33.272 -76.833 1.00 64.21 ? 46 THR A C 1 ATOM 323 O O . THR A 1 46 ? -10.467 -33.466 -77.973 1.00 64.59 ? 46 THR A O 1 ATOM 324 C CB . THR A 1 46 ? -10.165 -30.953 -76.257 1.00 70.21 ? 46 THR A CB 1 ATOM 325 O OG1 . THR A 1 46 ? -9.228 -30.189 -75.491 1.00 73.08 ? 46 THR A OG1 1 ATOM 326 C CG2 . THR A 1 46 ? -11.568 -30.390 -76.041 1.00 70.44 ? 46 THR A CG2 1 ATOM 327 N N . ILE A 1 47 ? -12.051 -33.767 -76.396 1.00 61.92 ? 47 ILE A N 1 ATOM 328 C CA . ILE A 1 47 ? -12.999 -34.415 -77.299 1.00 60.05 ? 47 ILE A CA 1 ATOM 329 C C . ILE A 1 47 ? -13.547 -33.353 -78.250 1.00 62.09 ? 47 ILE A C 1 ATOM 330 O O . ILE A 1 47 ? -14.011 -32.297 -77.814 1.00 63.96 ? 47 ILE A O 1 ATOM 331 C CB . ILE A 1 47 ? -14.167 -35.104 -76.545 1.00 58.04 ? 47 ILE A CB 1 ATOM 332 C CG1 . ILE A 1 47 ? -13.653 -35.920 -75.357 1.00 56.67 ? 47 ILE A CG1 1 ATOM 333 C CG2 . ILE A 1 47 ? -14.955 -36.007 -77.482 1.00 56.24 ? 47 ILE A CG2 1 ATOM 334 N N . SER A 1 48 ? -13.470 -33.636 -79.547 1.00 62.01 ? 48 SER A N 1 ATOM 335 C CA . SER A 1 48 ? -13.899 -32.695 -80.577 1.00 64.15 ? 48 SER A CA 1 ATOM 336 C C . SER A 1 48 ? -15.257 -33.078 -81.159 1.00 63.05 ? 48 SER A C 1 ATOM 337 O O . SER A 1 48 ? -15.517 -34.254 -81.440 1.00 60.85 ? 48 SER A O 1 ATOM 338 C CB . SER A 1 48 ? -12.868 -32.627 -81.711 1.00 65.61 ? 48 SER A CB 1 ATOM 339 O OG . SER A 1 48 ? -11.538 -32.661 -81.224 1.00 66.23 ? 48 SER A OG 1 ATOM 340 N N . PHE A 1 49 ? -16.117 -32.078 -81.332 1.00 64.82 ? 49 PHE A N 1 ATOM 341 C CA . PHE A 1 49 ? -17.352 -32.249 -82.081 1.00 64.58 ? 49 PHE A CA 1 ATOM 342 C C . PHE A 1 49 ? -17.013 -32.281 -83.569 1.00 65.35 ? 49 PHE A C 1 ATOM 343 O O . PHE A 1 49 ? -16.157 -31.523 -84.033 1.00 67.44 ? 49 PHE A O 1 ATOM 344 C CB . PHE A 1 49 ? -18.327 -31.092 -81.824 1.00 67.08 ? 49 PHE A CB 1 ATOM 345 C CG . PHE A 1 49 ? -18.452 -30.687 -80.378 1.00 67.64 ? 49 PHE A CG 1 ATOM 346 C CD1 . PHE A 1 49 ? -18.025 -29.424 -79.963 1.00 70.94 ? 49 PHE A CD1 1 ATOM 347 C CD2 . PHE A 1 49 ? -19.009 -31.553 -79.438 1.00 65.65 ? 49 PHE A CD2 1 ATOM 348 C CE1 . PHE A 1 49 ? -18.142 -29.028 -78.628 1.00 71.82 ? 49 PHE A CE1 1 ATOM 349 C CE2 . PHE A 1 49 ? -19.131 -31.174 -78.103 1.00 66.55 ? 49 PHE A CE2 1 ATOM 350 C CZ . PHE A 1 49 ? -18.696 -29.905 -77.695 1.00 69.77 ? 49 PHE A CZ 1 ATOM 351 N N . THR A 1 50 ? -17.679 -33.164 -84.308 1.00 63.89 ? 50 THR A N 1 ATOM 352 C CA . THR A 1 50 ? -17.564 -33.200 -85.769 1.00 64.85 ? 50 THR A CA 1 ATOM 353 C C . THR A 1 50 ? -18.897 -32.834 -86.420 1.00 66.01 ? 50 THR A C 1 ATOM 354 O O . THR A 1 50 ? -19.025 -32.821 -87.647 1.00 67.26 ? 50 THR A O 1 ATOM 355 C CB . THR A 1 50 ? -17.075 -34.567 -86.288 1.00 62.89 ? 50 THR A CB 1 ATOM 356 O OG1 . THR A 1 50 ? -17.950 -35.603 -85.829 1.00 60.37 ? 50 THR A OG1 1 ATOM 357 C CG2 . THR A 1 50 ? -15.665 -34.846 -85.806 1.00 62.41 ? 50 THR A CG2 1 ATOM 358 N N . LYS A 1 51 ? -19.886 -32.548 -85.578 1.00 65.74 ? 51 LYS A N 1 ATOM 359 C CA . LYS A 1 51 ? -21.171 -32.030 -86.019 1.00 67.27 ? 51 LYS A CA 1 ATOM 360 C C . LYS A 1 51 ? -21.551 -30.843 -85.130 1.00 69.10 ? 51 LYS A C 1 ATOM 361 O O . LYS A 1 51 ? -21.190 -30.815 -83.950 1.00 68.15 ? 51 LYS A O 1 ATOM 362 C CB . LYS A 1 51 ? -22.238 -33.125 -85.957 1.00 65.50 ? 51 LYS A CB 1 ATOM 363 N N . PRO A 1 52 ? -22.266 -29.850 -85.692 1.00 71.96 ? 52 PRO A N 1 ATOM 364 C CA . PRO A 1 52 ? -22.733 -28.712 -84.894 1.00 74.26 ? 52 PRO A CA 1 ATOM 365 C C . PRO A 1 52 ? -23.727 -29.099 -83.789 1.00 73.22 ? 52 PRO A C 1 ATOM 366 O O . PRO A 1 52 ? -24.129 -28.242 -82.997 1.00 75.20 ? 52 PRO A O 1 ATOM 367 C CB . PRO A 1 52 ? -23.415 -27.816 -85.934 1.00 77.61 ? 52 PRO A CB 1 ATOM 368 C CG . PRO A 1 52 ? -22.786 -28.185 -87.227 1.00 77.34 ? 52 PRO A CG 1 ATOM 369 C CD . PRO A 1 52 ? -22.551 -29.658 -87.125 1.00 73.73 ? 52 PRO A CD 1 ATOM 370 N N . TRP A 1 53 ? -24.104 -30.376 -83.735 1.00 70.46 ? 53 TRP A N 1 ATOM 371 C CA . TRP A 1 53 ? -25.054 -30.870 -82.736 1.00 69.63 ? 53 TRP A CA 1 ATOM 372 C C . TRP A 1 53 ? -24.501 -32.000 -81.864 1.00 66.58 ? 53 TRP A C 1 ATOM 373 O O . TRP A 1 53 ? -25.260 -32.682 -81.175 1.00 65.72 ? 53 TRP A O 1 ATOM 374 C CB . TRP A 1 53 ? -26.366 -31.299 -83.405 1.00 70.27 ? 53 TRP A CB 1 ATOM 375 C CG . TRP A 1 53 ? -26.184 -32.094 -84.664 1.00 68.83 ? 53 TRP A CG 1 ATOM 376 C CD1 . TRP A 1 53 ? -26.149 -31.608 -85.937 1.00 70.27 ? 53 TRP A CD1 1 ATOM 377 C CD2 . TRP A 1 53 ? -26.016 -33.515 -84.771 1.00 65.82 ? 53 TRP A CD2 1 ATOM 378 N NE1 . TRP A 1 53 ? -25.968 -32.635 -86.831 1.00 68.68 ? 53 TRP A NE1 1 ATOM 379 C CE2 . TRP A 1 53 ? -25.883 -33.816 -86.143 1.00 65.88 ? 53 TRP A CE2 1 ATOM 380 C CE3 . TRP A 1 53 ? -25.965 -34.562 -83.842 1.00 63.35 ? 53 TRP A CE3 1 ATOM 381 C CZ2 . TRP A 1 53 ? -25.697 -35.120 -86.612 1.00 64.00 ? 53 TRP A CZ2 1 ATOM 382 C CZ3 . TRP A 1 53 ? -25.783 -35.862 -84.310 1.00 61.54 ? 53 TRP A CZ3 1 ATOM 383 C CH2 . TRP A 1 53 ? -25.651 -36.127 -85.682 1.00 61.72 ? 53 TRP A CH2 1 ATOM 384 N N . SER A 1 54 ? -23.180 -32.178 -81.876 1.00 65.42 ? 54 SER A N 1 ATOM 385 C CA . SER A 1 54 ? -22.537 -33.293 -81.167 1.00 62.85 ? 54 SER A CA 1 ATOM 386 C C . SER A 1 54 ? -22.608 -33.189 -79.641 1.00 62.79 ? 54 SER A C 1 ATOM 387 O O . SER A 1 54 ? -22.377 -34.176 -78.937 1.00 60.76 ? 54 SER A O 1 ATOM 388 C CB . SER A 1 54 ? -21.086 -33.475 -81.626 1.00 61.89 ? 54 SER A CB 1 ATOM 389 O OG . SER A 1 54 ? -21.018 -33.993 -82.946 1.00 61.51 ? 54 SER A OG 1 ATOM 390 N N . GLN A 1 55 ? -22.932 -31.999 -79.140 1.00 65.48 ? 55 GLN A N 1 ATOM 391 C CA . GLN A 1 55 ? -23.135 -31.781 -77.704 1.00 66.21 ? 55 GLN A CA 1 ATOM 392 C C . GLN A 1 55 ? -24.489 -32.342 -77.239 1.00 66.32 ? 55 GLN A C 1 ATOM 393 O O . GLN A 1 55 ? -24.769 -32.391 -76.038 1.00 66.69 ? 55 GLN A O 1 ATOM 394 C CB . GLN A 1 55 ? -23.015 -30.285 -77.359 1.00 69.39 ? 55 GLN A CB 1 ATOM 395 C CG . GLN A 1 55 ? -22.646 -29.993 -75.897 1.00 70.28 ? 55 GLN A CG 1 ATOM 396 C CD . GLN A 1 55 ? -22.429 -28.507 -75.602 1.00 74.82 ? 55 GLN A CD 1 ATOM 397 O OE1 . GLN A 1 55 ? -21.613 -28.149 -74.751 1.00 75.70 ? 55 GLN A OE1 1 ATOM 398 N NE2 . GLN A 1 55 ? -23.162 -27.640 -76.299 1.00 77.75 ? 55 GLN A NE2 1 ATOM 399 N N . GLY A 1 56 ? -25.315 -32.766 -78.195 1.00 66.36 ? 56 GLY A N 1 ATOM 400 C CA . GLY A 1 56 ? -26.649 -33.291 -77.909 1.00 66.97 ? 56 GLY A CA 1 ATOM 401 C C . GLY A 1 56 ? -27.544 -32.248 -77.270 1.00 70.18 ? 56 GLY A C 1 ATOM 402 O O . GLY A 1 56 ? -27.591 -31.100 -77.720 1.00 72.57 ? 56 GLY A O 1 ATOM 403 N N . LYS A 1 57 ? -28.252 -32.654 -76.219 1.00 70.56 ? 57 LYS A N 1 ATOM 404 C CA . LYS A 1 57 ? -29.056 -31.737 -75.412 1.00 73.67 ? 57 LYS A CA 1 ATOM 405 C C . LYS A 1 57 ? -28.413 -31.523 -74.035 1.00 73.43 ? 57 LYS A C 1 ATOM 406 O O . LYS A 1 57 ? -29.101 -31.512 -73.009 1.00 75.05 ? 57 LYS A O 1 ATOM 407 C CB . LYS A 1 57 ? -30.493 -32.252 -75.280 1.00 75.24 ? 57 LYS A CB 1 ATOM 408 N N . LEU A 1 58 ? -27.090 -31.354 -74.027 1.00 71.68 ? 58 LEU A N 1 ATOM 409 C CA . LEU A 1 58 ? -26.333 -31.125 -72.795 1.00 71.47 ? 58 LEU A CA 1 ATOM 410 C C . LEU A 1 58 ? -25.866 -29.679 -72.673 1.00 74.16 ? 58 LEU A C 1 ATOM 411 O O . LEU A 1 58 ? -25.592 -29.022 -73.679 1.00 74.94 ? 58 LEU A O 1 ATOM 412 C CB . LEU A 1 58 ? -25.112 -32.048 -72.722 1.00 67.98 ? 58 LEU A CB 1 ATOM 413 C CG . LEU A 1 58 ? -25.229 -33.570 -72.611 1.00 64.99 ? 58 LEU A CG 1 ATOM 414 C CD1 . LEU A 1 58 ? -23.840 -34.142 -72.408 1.00 62.26 ? 58 LEU A CD1 1 ATOM 415 C CD2 . LEU A 1 58 ? -26.151 -34.017 -71.483 1.00 65.74 ? 58 LEU A CD2 1 ATOM 416 N N . SER A 1 59 ? -25.764 -29.195 -71.436 1.00 75.89 ? 59 SER A N 1 ATOM 417 C CA . SER A 1 59 ? -25.260 -27.846 -71.176 1.00 78.93 ? 59 SER A CA 1 ATOM 418 C C . SER A 1 59 ? -23.737 -27.851 -71.130 1.00 77.42 ? 59 SER A C 1 ATOM 419 O O . SER A 1 59 ? -23.118 -28.911 -70.990 1.00 74.16 ? 59 SER A O 1 ATOM 420 C CB . SER A 1 59 ? -25.843 -27.276 -69.877 1.00 81.95 ? 59 SER A CB 1 ATOM 421 O OG . SER A 1 59 ? -25.135 -27.732 -68.737 1.00 80.60 ? 59 SER A OG 1 ATOM 422 N N . ASN A 1 60 ? -23.142 -26.666 -71.254 1.00 80.18 ? 60 ASN A N 1 ATOM 423 C CA . ASN A 1 60 ? -21.692 -26.514 -71.196 1.00 79.75 ? 60 ASN A CA 1 ATOM 424 C C . ASN A 1 60 ? -21.095 -27.163 -69.952 1.00 78.40 ? 60 ASN A C 1 ATOM 425 O O . ASN A 1 60 ? -20.197 -28.002 -70.059 1.00 75.48 ? 60 ASN A O 1 ATOM 426 C CB . ASN A 1 60 ? -21.300 -25.035 -71.279 1.00 83.90 ? 60 ASN A CB 1 ATOM 427 C CG . ASN A 1 60 ? -21.418 -24.478 -72.686 1.00 84.94 ? 60 ASN A CG 1 ATOM 428 O OD1 . ASN A 1 60 ? -22.296 -24.872 -73.454 1.00 83.89 ? 60 ASN A OD1 1 ATOM 429 N ND2 . ASN A 1 60 ? -20.529 -23.554 -73.031 1.00 87.23 ? 60 ASN A ND2 1 ATOM 430 N N . GLN A 1 61 ? -21.621 -26.787 -68.785 1.00 80.80 ? 61 GLN A N 1 ATOM 431 C CA . GLN A 1 61 ? -21.196 -27.348 -67.497 1.00 80.10 ? 61 GLN A CA 1 ATOM 432 C C . GLN A 1 61 ? -21.412 -28.864 -67.411 1.00 76.36 ? 61 GLN A C 1 ATOM 433 O O . GLN A 1 61 ? -20.668 -29.561 -66.718 1.00 74.73 ? 61 GLN A O 1 ATOM 434 C CB . GLN A 1 61 ? -21.916 -26.647 -66.343 1.00 83.51 ? 61 GLN A CB 1 ATOM 435 N N . GLN A 1 62 ? -22.431 -29.362 -68.110 1.00 75.46 ? 62 GLN A N 1 ATOM 436 C CA . GLN A 1 62 ? -22.706 -30.794 -68.173 1.00 72.38 ? 62 GLN A CA 1 ATOM 437 C C . GLN A 1 62 ? -21.689 -31.497 -69.059 1.00 69.43 ? 62 GLN A C 1 ATOM 438 O O . GLN A 1 62 ? -21.296 -32.638 -68.787 1.00 66.94 ? 62 GLN A O 1 ATOM 439 C CB . GLN A 1 62 ? -24.116 -31.057 -68.704 1.00 72.83 ? 62 GLN A CB 1 ATOM 440 C CG . GLN A 1 62 ? -25.217 -30.891 -67.673 1.00 75.50 ? 62 GLN A CG 1 ATOM 441 C CD . GLN A 1 62 ? -26.544 -31.467 -68.130 1.00 75.76 ? 62 GLN A CD 1 ATOM 442 O OE1 . GLN A 1 62 ? -27.326 -31.965 -67.320 1.00 76.84 ? 62 GLN A OE1 1 ATOM 443 N NE2 . GLN A 1 62 ? -26.807 -31.401 -69.430 1.00 75.06 ? 62 GLN A NE2 1 ATOM 444 N N . TRP A 1 63 ? -21.277 -30.808 -70.121 1.00 70.04 ? 63 TRP A N 1 ATOM 445 C CA . TRP A 1 63 ? -20.305 -31.344 -71.064 1.00 67.66 ? 63 TRP A CA 1 ATOM 446 C C . TRP A 1 63 ? -18.895 -31.368 -70.472 1.00 67.29 ? 63 TRP A C 1 ATOM 447 O O . TRP A 1 63 ? -18.174 -32.353 -70.635 1.00 64.99 ? 63 TRP A O 1 ATOM 448 C CB . TRP A 1 63 ? -20.337 -30.558 -72.380 1.00 68.86 ? 63 TRP A CB 1 ATOM 449 C CG . TRP A 1 63 ? -19.255 -30.951 -73.342 1.00 67.07 ? 63 TRP A CG 1 ATOM 450 C CD1 . TRP A 1 63 ? -18.196 -30.186 -73.739 1.00 68.42 ? 63 TRP A CD1 1 ATOM 451 C CD2 . TRP A 1 63 ? -19.113 -32.211 -74.015 1.00 63.97 ? 63 TRP A CD2 1 ATOM 452 N NE1 . TRP A 1 63 ? -17.411 -30.884 -74.623 1.00 66.65 ? 63 TRP A NE1 1 ATOM 453 C CE2 . TRP A 1 63 ? -17.950 -32.131 -74.809 1.00 63.81 ? 63 TRP A CE2 1 ATOM 454 C CE3 . TRP A 1 63 ? -19.862 -33.397 -74.028 1.00 61.66 ? 63 TRP A CE3 1 ATOM 455 C CZ2 . TRP A 1 63 ? -17.516 -33.190 -75.610 1.00 61.30 ? 63 TRP A CZ2 1 ATOM 456 C CZ3 . TRP A 1 63 ? -19.430 -34.448 -74.823 1.00 59.29 ? 63 TRP A CZ3 1 ATOM 457 C CH2 . TRP A 1 63 ? -18.267 -34.337 -75.603 1.00 59.30 ? 63 TRP A CH2 1 ATOM 458 N N . GLU A 1 64 ? -18.512 -30.295 -69.780 1.00 70.02 ? 64 GLU A N 1 ATOM 459 C CA . GLU A 1 64 ? -17.182 -30.208 -69.173 1.00 70.33 ? 64 GLU A CA 1 ATOM 460 C C . GLU A 1 64 ? -16.936 -31.345 -68.186 1.00 68.14 ? 64 GLU A C 1 ATOM 461 O O . GLU A 1 64 ? -15.868 -31.963 -68.206 1.00 66.65 ? 64 GLU A O 1 ATOM 462 C CB . GLU A 1 64 ? -16.954 -28.852 -68.487 1.00 74.21 ? 64 GLU A CB 1 ATOM 463 C CG . GLU A 1 64 ? -17.087 -27.619 -69.388 1.00 77.41 ? 64 GLU A CG 1 ATOM 464 C CD . GLU A 1 64 ? -16.279 -27.705 -70.677 0.70 76.94 ? 64 GLU A CD 1 ATOM 465 O OE1 . GLU A 1 64 ? -16.778 -27.214 -71.713 0.70 78.06 ? 64 GLU A OE1 1 ATOM 466 O OE2 . GLU A 1 64 ? -15.155 -28.257 -70.662 0.70 75.72 ? 64 GLU A OE2 1 ATOM 467 N N . LYS A 1 65 ? -17.931 -31.617 -67.339 1.00 68.24 ? 65 LYS A N 1 ATOM 468 C CA . LYS A 1 65 ? -17.863 -32.696 -66.350 1.00 66.53 ? 65 LYS A CA 1 ATOM 469 C C . LYS A 1 65 ? -17.664 -34.069 -67.003 1.00 63.19 ? 65 LYS A C 1 ATOM 470 O O . LYS A 1 65 ? -16.883 -34.890 -66.514 1.00 61.79 ? 65 LYS A O 1 ATOM 471 C CB . LYS A 1 65 ? -19.118 -32.703 -65.473 1.00 67.71 ? 65 LYS A CB 1 ATOM 472 N N . LEU A 1 66 ? -18.368 -34.304 -68.109 1.00 62.19 ? 66 LEU A N 1 ATOM 473 C CA . LEU A 1 66 ? -18.248 -35.553 -68.848 1.00 59.35 ? 66 LEU A CA 1 ATOM 474 C C . LEU A 1 66 ? -16.907 -35.639 -69.577 1.00 58.42 ? 66 LEU A C 1 ATOM 475 O O . LEU A 1 66 ? -16.286 -36.702 -69.607 1.00 56.70 ? 66 LEU A O 1 ATOM 476 C CB . LEU A 1 66 ? -19.414 -35.723 -69.831 1.00 59.07 ? 66 LEU A CB 1 ATOM 477 C CG . LEU A 1 66 ? -19.581 -37.095 -70.508 1.00 56.77 ? 66 LEU A CG 1 ATOM 478 C CD1 . LEU A 1 66 ? -20.167 -38.147 -69.558 1.00 55.66 ? 66 LEU A CD1 1 ATOM 479 C CD2 . LEU A 1 66 ? -20.434 -36.978 -71.764 1.00 56.67 ? 66 LEU A CD2 1 ATOM 480 N N . GLN A 1 67 ? -16.464 -34.526 -70.159 1.00 59.96 ? 67 GLN A N 1 ATOM 481 C CA . GLN A 1 67 ? -15.174 -34.488 -70.849 1.00 59.72 ? 67 GLN A CA 1 ATOM 482 C C . GLN A 1 67 ? -14.022 -34.746 -69.881 1.00 59.74 ? 67 GLN A C 1 ATOM 483 O O . GLN A 1 67 ? -13.089 -35.479 -70.203 1.00 58.50 ? 67 GLN A O 1 ATOM 484 C CB . GLN A 1 67 ? -14.971 -33.161 -71.589 1.00 62.13 ? 67 GLN A CB 1 ATOM 485 C CG . GLN A 1 67 ? -13.655 -33.090 -72.363 1.00 62.56 ? 67 GLN A CG 1 ATOM 486 C CD . GLN A 1 67 ? -13.593 -31.930 -73.333 1.00 65.30 ? 67 GLN A CD 1 ATOM 487 O OE1 . GLN A 1 67 ? -13.029 -30.880 -73.023 1.00 68.65 ? 67 GLN A OE1 1 ATOM 488 N NE2 . GLN A 1 67 ? -14.175 -32.109 -74.516 1.00 64.31 ? 67 GLN A NE2 1 ATOM 489 N N . HIS A 1 68 ? -14.104 -34.142 -68.698 1.00 61.53 ? 68 HIS A N 1 ATOM 490 C CA . HIS A 1 68 ? -13.090 -34.305 -67.655 1.00 61.97 ? 68 HIS A CA 1 ATOM 491 C C . HIS A 1 68 ? -13.070 -35.734 -67.121 1.00 59.48 ? 68 HIS A C 1 ATOM 492 O O . HIS A 1 68 ? -12.004 -36.279 -66.841 1.00 59.01 ? 68 HIS A O 1 ATOM 493 C CB . HIS A 1 68 ? -13.311 -33.297 -66.519 1.00 64.68 ? 68 HIS A CB 1 ATOM 494 C CG . HIS A 1 68 ? -12.384 -33.480 -65.358 1.00 65.49 ? 68 HIS A CG 1 ATOM 495 N ND1 . HIS A 1 68 ? -12.795 -34.016 -64.156 1.00 65.23 ? 68 HIS A ND1 1 ATOM 496 C CD2 . HIS A 1 68 ? -11.064 -33.213 -65.219 1.00 66.84 ? 68 HIS A CD2 1 ATOM 497 C CE1 . HIS A 1 68 ? -11.770 -34.062 -63.323 1.00 66.26 ? 68 HIS A CE1 1 ATOM 498 N NE2 . HIS A 1 68 ? -10.708 -33.580 -63.944 1.00 67.47 ? 68 HIS A NE2 1 ATOM 499 N N . MET A 1 69 ? -14.255 -36.326 -66.991 1.00 58.33 ? 69 MET A N 1 ATOM 500 C CA . MET A 1 69 ? -14.407 -37.728 -66.604 1.00 56.41 ? 69 MET A CA 1 ATOM 501 C C . MET A 1 69 ? -13.538 -38.620 -67.497 1.00 54.61 ? 69 MET A C 1 ATOM 502 O O . MET A 1 69 ? -12.757 -39.438 -67.001 1.00 53.93 ? 69 MET A O 1 ATOM 503 C CB . MET A 1 69 ? -15.884 -38.131 -66.700 1.00 55.94 ? 69 MET A CB 1 ATOM 504 C CG . MET A 1 69 ? -16.287 -39.362 -65.890 1.00 55.39 ? 69 MET A CG 1 ATOM 505 S SD . MET A 1 69 ? -15.866 -40.953 -66.639 0.70 53.79 ? 69 MET A SD 1 ATOM 506 C CE . MET A 1 69 ? -16.664 -40.814 -68.235 0.70 52.71 ? 69 MET A CE 1 ATOM 507 N N . PHE A 1 70 ? -13.674 -38.435 -68.810 1.00 54.10 ? 70 PHE A N 1 ATOM 508 C CA . PHE A 1 70 ? -12.905 -39.173 -69.800 1.00 52.84 ? 70 PHE A CA 1 ATOM 509 C C . PHE A 1 70 ? -11.434 -38.773 -69.831 1.00 53.89 ? 70 PHE A C 1 ATOM 510 O O . PHE A 1 70 ? -10.567 -39.610 -70.095 1.00 53.29 ? 70 PHE A O 1 ATOM 511 C CB . PHE A 1 70 ? -13.526 -39.016 -71.189 1.00 52.58 ? 70 PHE A CB 1 ATOM 512 C CG . PHE A 1 70 ? -14.685 -39.944 -71.444 1.00 51.71 ? 70 PHE A CG 1 ATOM 513 C CD1 . PHE A 1 70 ? -14.474 -41.315 -71.618 1.00 50.32 ? 70 PHE A CD1 1 ATOM 514 C CD2 . PHE A 1 70 ? -15.986 -39.451 -71.518 1.00 52.53 ? 70 PHE A CD2 1 ATOM 515 C CE1 . PHE A 1 70 ? -15.540 -42.181 -71.851 1.00 49.61 ? 70 PHE A CE1 1 ATOM 516 C CE2 . PHE A 1 70 ? -17.062 -40.312 -71.754 1.00 51.77 ? 70 PHE A CE2 1 ATOM 517 C CZ . PHE A 1 70 ? -16.836 -41.680 -71.921 1.00 50.38 ? 70 PHE A CZ 1 ATOM 518 N N . GLN A 1 71 ? -11.155 -37.498 -69.570 1.00 55.87 ? 71 GLN A N 1 ATOM 519 C CA . GLN A 1 71 ? -9.779 -37.017 -69.516 1.00 57.44 ? 71 GLN A CA 1 ATOM 520 C C . GLN A 1 71 ? -9.000 -37.792 -68.461 1.00 57.17 ? 71 GLN A C 1 ATOM 521 O O . GLN A 1 71 ? -7.907 -38.298 -68.731 1.00 57.30 ? 71 GLN A O 1 ATOM 522 C CB . GLN A 1 71 ? -9.728 -35.513 -69.251 1.00 60.10 ? 71 GLN A CB 1 ATOM 523 C CG . GLN A 1 71 ? -9.914 -34.678 -70.504 1.00 61.17 ? 71 GLN A CG 1 ATOM 524 C CD . GLN A 1 71 ? -10.096 -33.195 -70.226 1.00 64.25 ? 71 GLN A CD 1 ATOM 525 O OE1 . GLN A 1 71 ? -10.470 -32.789 -69.125 1.00 65.57 ? 71 GLN A OE1 1 ATOM 526 N NE2 . GLN A 1 71 ? -9.839 -32.378 -71.237 1.00 66.01 ? 71 GLN A NE2 1 ATOM 527 N N . VAL A 1 72 ? -9.587 -37.905 -67.272 1.00 57.02 ? 72 VAL A N 1 ATOM 528 C CA . VAL A 1 72 ? -9.016 -38.706 -66.192 1.00 56.75 ? 72 VAL A CA 1 ATOM 529 C C . VAL A 1 72 ? -8.897 -40.171 -66.630 1.00 54.74 ? 72 VAL A C 1 ATOM 530 O O . VAL A 1 72 ? -7.886 -40.821 -66.361 1.00 54.97 ? 72 VAL A O 1 ATOM 531 C CB . VAL A 1 72 ? -9.843 -38.573 -64.879 1.00 57.10 ? 72 VAL A CB 1 ATOM 532 C CG1 . VAL A 1 72 ? -9.321 -39.505 -63.801 1.00 56.62 ? 72 VAL A CG1 1 ATOM 533 C CG2 . VAL A 1 72 ? -9.824 -37.131 -64.380 1.00 59.61 ? 72 VAL A CG2 1 ATOM 534 N N . TYR A 1 73 ? -9.919 -40.669 -67.327 1.00 53.13 ? 73 TYR A N 1 ATOM 535 C CA . TYR A 1 73 ? -9.945 -42.055 -67.795 1.00 51.48 ? 73 TYR A CA 1 ATOM 536 C C . TYR A 1 73 ? -8.771 -42.413 -68.711 1.00 51.79 ? 73 TYR A C 1 ATOM 537 O O . TYR A 1 73 ? -8.110 -43.438 -68.506 1.00 51.58 ? 73 TYR A O 1 ATOM 538 C CB . TYR A 1 73 ? -11.272 -42.373 -68.494 1.00 50.06 ? 73 TYR A CB 1 ATOM 539 C CG . TYR A 1 73 ? -11.225 -43.608 -69.373 1.00 48.62 ? 73 TYR A CG 1 ATOM 540 C CD1 . TYR A 1 73 ? -11.078 -44.885 -68.818 1.00 47.79 ? 73 TYR A CD1 1 ATOM 541 C CD2 . TYR A 1 73 ? -11.331 -43.502 -70.757 1.00 48.29 ? 73 TYR A CD2 1 ATOM 542 C CE1 . TYR A 1 73 ? -11.036 -46.020 -69.620 1.00 47.02 ? 73 TYR A CE1 1 ATOM 543 C CE2 . TYR A 1 73 ? -11.287 -44.632 -71.573 1.00 47.40 ? 73 TYR A CE2 1 ATOM 544 C CZ . TYR A 1 73 ? -11.141 -45.888 -70.999 1.00 46.98 ? 73 TYR A CZ 1 ATOM 545 O OH . TYR A 1 73 ? -11.102 -47.010 -71.803 1.00 46.12 ? 73 TYR A OH 1 ATOM 546 N N . ARG A 1 74 ? -8.526 -41.576 -69.717 1.00 52.58 ? 74 ARG A N 1 ATOM 547 C CA . ARG A 1 74 ? -7.497 -41.855 -70.717 1.00 53.02 ? 74 ARG A CA 1 ATOM 548 C C . ARG A 1 74 ? -6.125 -42.079 -70.074 1.00 54.45 ? 74 ARG A C 1 ATOM 549 O O . ARG A 1 74 ? -5.476 -43.096 -70.333 1.00 54.32 ? 74 ARG A O 1 ATOM 550 C CB . ARG A 1 74 ? -7.439 -40.735 -71.761 1.00 54.17 ? 74 ARG A CB 1 ATOM 551 C CG . ARG A 1 74 ? -6.713 -41.122 -73.039 1.00 54.28 ? 74 ARG A CG 1 ATOM 552 C CD . ARG A 1 74 ? -6.879 -40.076 -74.126 1.00 54.88 ? 74 ARG A CD 1 ATOM 553 N NE . ARG A 1 74 ? -6.001 -38.925 -73.933 1.00 56.90 ? 74 ARG A NE 1 ATOM 554 C CZ . ARG A 1 74 ? -5.867 -37.927 -74.801 1.00 58.34 ? 74 ARG A CZ 1 ATOM 555 N NH1 . ARG A 1 74 ? -6.553 -37.922 -75.934 1.00 57.78 ? 74 ARG A NH1 1 ATOM 556 N NH2 . ARG A 1 74 ? -5.041 -36.928 -74.536 1.00 61.24 ? 74 ARG A NH2 1 ATOM 557 N N . VAL A 1 75 ? -5.709 -41.143 -69.221 1.00 56.11 ? 75 VAL A N 1 ATOM 558 C CA . VAL A 1 75 ? -4.401 -41.195 -68.561 1.00 57.95 ? 75 VAL A CA 1 ATOM 559 C C . VAL A 1 75 ? -4.322 -42.339 -67.550 1.00 57.04 ? 75 VAL A C 1 ATOM 560 O O . VAL A 1 75 ? -3.254 -42.923 -67.339 1.00 58.02 ? 75 VAL A O 1 ATOM 561 C CB . VAL A 1 75 ? -4.059 -39.862 -67.859 1.00 60.34 ? 75 VAL A CB 1 ATOM 562 C CG1 . VAL A 1 75 ? -2.591 -39.830 -67.452 1.00 62.90 ? 75 VAL A CG1 1 ATOM 563 C CG2 . VAL A 1 75 ? -4.367 -38.682 -68.771 1.00 61.78 ? 75 VAL A CG2 1 ATOM 564 N N . SER A 1 76 ? -5.458 -42.656 -66.936 1.00 55.50 ? 76 SER A N 1 ATOM 565 C CA . SER A 1 76 ? -5.539 -43.750 -65.972 1.00 54.76 ? 76 SER A CA 1 ATOM 566 C C . SER A 1 76 ? -5.503 -45.114 -66.660 1.00 53.51 ? 76 SER A C 1 ATOM 567 O O . SER A 1 76 ? -4.797 -46.023 -66.210 1.00 54.03 ? 76 SER A O 1 ATOM 568 C CB . SER A 1 76 ? -6.797 -43.621 -65.113 1.00 54.01 ? 76 SER A CB 1 ATOM 569 O OG . SER A 1 76 ? -6.853 -42.359 -64.470 1.00 55.33 ? 76 SER A OG 1 ATOM 570 N N . PHE A 1 77 ? -6.264 -45.246 -67.748 1.00 52.13 ? 77 PHE A N 1 ATOM 571 C CA . PHE A 1 77 ? -6.320 -46.483 -68.525 1.00 51.16 ? 77 PHE A CA 1 ATOM 572 C C . PHE A 1 77 ? -4.935 -46.916 -68.987 1.00 52.38 ? 77 PHE A C 1 ATOM 573 O O . PHE A 1 77 ? -4.514 -48.048 -68.734 1.00 52.74 ? 77 PHE A O 1 ATOM 574 C CB . PHE A 1 77 ? -7.247 -46.321 -69.733 1.00 50.17 ? 77 PHE A CB 1 ATOM 575 C CG . PHE A 1 77 ? -7.227 -47.490 -70.676 1.00 49.86 ? 77 PHE A CG 1 ATOM 576 C CD1 . PHE A 1 77 ? -6.621 -47.382 -71.921 1.00 50.53 ? 77 PHE A CD1 1 ATOM 577 C CD2 . PHE A 1 77 ? -7.810 -48.705 -70.316 1.00 49.41 ? 77 PHE A CD2 1 ATOM 578 C CE1 . PHE A 1 77 ? -6.598 -48.467 -72.796 1.00 50.54 ? 77 PHE A CE1 1 ATOM 579 C CE2 . PHE A 1 77 ? -7.790 -49.794 -71.183 1.00 49.04 ? 77 PHE A CE2 1 ATOM 580 C CZ . PHE A 1 77 ? -7.184 -49.673 -72.424 1.00 49.82 ? 77 PHE A CZ 1 ATOM 581 N N . THR A 1 78 ? -4.236 -46.006 -69.663 1.00 53.35 ? 78 THR A N 1 ATOM 582 C CA . THR A 1 78 ? -2.881 -46.255 -70.140 1.00 54.79 ? 78 THR A CA 1 ATOM 583 C C . THR A 1 78 ? -2.029 -46.832 -69.009 1.00 55.79 ? 78 THR A C 1 ATOM 584 O O . THR A 1 78 ? -1.487 -47.932 -69.133 1.00 56.34 ? 78 THR A O 1 ATOM 585 C CB . THR A 1 78 ? -2.229 -44.963 -70.689 1.00 56.53 ? 78 THR A CB 1 ATOM 586 O OG1 . THR A 1 78 ? -3.184 -44.228 -71.461 1.00 55.34 ? 78 THR A OG1 1 ATOM 587 C CG2 . THR A 1 78 ? -1.030 -45.292 -71.563 1.00 58.48 ? 78 THR A CG2 1 ATOM 588 N N . ARG A 1 79 ? -1.957 -46.100 -67.898 1.00 56.16 ? 79 ARG A N 1 ATOM 589 C CA . ARG A 1 79 ? -1.111 -46.468 -66.765 1.00 57.25 ? 79 ARG A CA 1 ATOM 590 C C . ARG A 1 79 ? -1.553 -47.762 -66.085 1.00 56.19 ? 79 ARG A C 1 ATOM 591 O O . ARG A 1 79 ? -0.732 -48.452 -65.480 1.00 57.54 ? 79 ARG A O 1 ATOM 592 C CB . ARG A 1 79 ? -1.051 -45.331 -65.745 1.00 58.26 ? 79 ARG A CB 1 ATOM 593 C CG . ARG A 1 79 ? 0.214 -45.311 -64.903 1.00 59.92 ? 79 ARG A CG 1 ATOM 594 C CD . ARG A 1 79 ? 0.024 -44.493 -63.639 1.00 59.47 ? 79 ARG A CD 1 ATOM 595 N NE . ARG A 1 79 ? -0.574 -45.282 -62.565 1.00 57.47 ? 79 ARG A NE 1 ATOM 596 C CZ . ARG A 1 79 ? -0.809 -44.830 -61.337 1.00 57.51 ? 79 ARG A CZ 1 ATOM 597 N NH1 . ARG A 1 79 ? -0.503 -43.581 -61.016 1.00 59.34 ? 79 ARG A NH1 1 ATOM 598 N NH2 . ARG A 1 79 ? -1.355 -45.626 -60.429 1.00 56.28 ? 79 ARG A NH2 1 ATOM 599 N N . ASP A 1 80 ? -2.838 -48.092 -66.184 1.00 54.09 ? 80 ASP A N 1 ATOM 600 C CA . ASP A 1 80 ? -3.337 -49.357 -65.637 1.00 53.50 ? 80 ASP A CA 1 ATOM 601 C C . ASP A 1 80 ? -2.875 -50.574 -66.436 1.00 53.71 ? 80 ASP A C 1 ATOM 602 O O . ASP A 1 80 ? -2.406 -51.555 -65.860 1.00 54.56 ? 80 ASP A O 1 ATOM 603 C CB . ASP A 1 80 ? -4.862 -49.346 -65.513 1.00 51.85 ? 80 ASP A CB 1 ATOM 604 C CG . ASP A 1 80 ? -5.334 -48.752 -64.204 1.00 52.45 ? 80 ASP A CG 1 ATOM 605 O OD1 . ASP A 1 80 ? -4.724 -47.762 -63.745 1.00 54.33 ? 80 ASP A OD1 1 ATOM 606 O OD2 . ASP A 1 80 ? -6.318 -49.277 -63.635 1.00 51.88 ? 80 ASP A OD2 1 ATOM 607 N N . ILE A 1 81 ? -3.004 -50.500 -67.758 1.00 53.19 ? 81 ILE A N 1 ATOM 608 C CA . ILE A 1 81 ? -2.582 -51.590 -68.631 1.00 53.90 ? 81 ILE A CA 1 ATOM 609 C C . ILE A 1 81 ? -1.089 -51.852 -68.455 1.00 56.42 ? 81 ILE A C 1 ATOM 610 O O . ILE A 1 81 ? -0.672 -53.001 -68.276 1.00 57.53 ? 81 ILE A O 1 ATOM 611 C CB . ILE A 1 81 ? -2.927 -51.306 -70.116 1.00 53.29 ? 81 ILE A CB 1 ATOM 612 C CG1 . ILE A 1 81 ? -4.443 -51.122 -70.296 1.00 51.11 ? 81 ILE A CG1 1 ATOM 613 C CG2 . ILE A 1 81 ? -2.370 -52.403 -71.037 1.00 54.18 ? 81 ILE A CG2 1 ATOM 614 C CD1 . ILE A 1 81 ? -5.296 -52.322 -69.874 1.00 50.34 ? 81 ILE A CD1 1 ATOM 615 N N . GLN A 1 82 ? -0.302 -50.776 -68.476 1.00 57.59 ? 82 GLN A N 1 ATOM 616 C CA . GLN A 1 82 ? 1.140 -50.849 -68.257 1.00 60.24 ? 82 GLN A CA 1 ATOM 617 C C . GLN A 1 82 ? 1.476 -51.642 -67.001 1.00 61.06 ? 82 GLN A C 1 ATOM 618 O O . GLN A 1 82 ? 2.374 -52.480 -67.020 1.00 63.02 ? 82 GLN A O 1 ATOM 619 C CB . GLN A 1 82 ? 1.737 -49.447 -68.160 1.00 61.50 ? 82 GLN A CB 1 ATOM 620 C CG . GLN A 1 82 ? 1.690 -48.655 -69.455 1.00 62.03 ? 82 GLN A CG 1 ATOM 621 C CD . GLN A 1 82 ? 2.167 -47.221 -69.292 1.00 64.46 ? 82 GLN A CD 1 ATOM 622 O OE1 . GLN A 1 82 ? 2.338 -46.726 -68.176 1.00 65.48 ? 82 GLN A OE1 1 ATOM 623 N NE2 . GLN A 1 82 ? 2.384 -46.544 -70.415 1.00 65.81 ? 82 GLN A NE2 1 ATOM 624 N N . GLU A 1 83 ? 0.742 -51.384 -65.920 1.00 59.94 ? 83 GLU A N 1 ATOM 625 C CA . GLU A 1 83 ? 0.983 -52.058 -64.641 1.00 60.92 ? 83 GLU A CA 1 ATOM 626 C C . GLU A 1 83 ? 0.529 -53.516 -64.647 1.00 60.63 ? 83 GLU A C 1 ATOM 627 O O . GLU A 1 83 ? 1.156 -54.364 -64.011 1.00 62.43 ? 83 GLU A O 1 ATOM 628 C CB . GLU A 1 83 ? 0.339 -51.294 -63.478 1.00 60.01 ? 83 GLU A CB 1 ATOM 629 C CG . GLU A 1 83 ? 0.914 -49.897 -63.235 1.00 60.95 ? 83 GLU A CG 1 ATOM 630 C CD . GLU A 1 83 ? 2.395 -49.901 -62.883 1.00 63.83 ? 83 GLU A CD 1 ATOM 631 O OE1 . GLU A 1 83 ? 2.761 -50.496 -61.848 1.00 64.91 ? 83 GLU A OE1 1 ATOM 632 O OE2 . GLU A 1 83 ? 3.191 -49.295 -63.635 1.00 65.02 ? 83 GLU A OE2 1 ATOM 633 N N . LEU A 1 84 ? -0.551 -53.803 -65.368 1.00 58.80 ? 84 LEU A N 1 ATOM 634 C CA . LEU A 1 84 ? -1.034 -55.175 -65.523 1.00 59.00 ? 84 LEU A CA 1 ATOM 635 C C . LEU A 1 84 ? -0.042 -56.038 -66.309 1.00 61.26 ? 84 LEU A C 1 ATOM 636 O O . LEU A 1 84 ? 0.175 -57.206 -65.976 1.00 62.65 ? 84 LEU A O 1 ATOM 637 C CB . LEU A 1 84 ? -2.412 -55.198 -66.191 1.00 56.74 ? 84 LEU A CB 1 ATOM 638 C CG . LEU A 1 84 ? -3.600 -54.706 -65.364 1.00 54.89 ? 84 LEU A CG 1 ATOM 639 C CD1 . LEU A 1 84 ? -4.791 -54.460 -66.262 1.00 53.38 ? 84 LEU A CD1 1 ATOM 640 C CD2 . LEU A 1 84 ? -3.961 -55.681 -64.255 1.00 55.47 ? 84 LEU A CD2 1 ATOM 641 N N . VAL A 1 85 ? 0.551 -55.450 -67.348 1.00 61.93 ? 85 VAL A N 1 ATOM 642 C CA . VAL A 1 85 ? 1.618 -56.090 -68.114 1.00 64.53 ? 85 VAL A CA 1 ATOM 643 C C . VAL A 1 85 ? 2.760 -56.471 -67.177 1.00 67.45 ? 85 VAL A C 1 ATOM 644 O O . VAL A 1 85 ? 3.278 -57.584 -67.251 1.00 69.58 ? 85 VAL A O 1 ATOM 645 C CB . VAL A 1 85 ? 2.146 -55.169 -69.238 1.00 64.86 ? 85 VAL A CB 1 ATOM 646 C CG1 . VAL A 1 85 ? 3.308 -55.818 -69.970 1.00 67.89 ? 85 VAL A CG1 1 ATOM 647 C CG2 . VAL A 1 85 ? 1.039 -54.834 -70.217 1.00 62.61 ? 85 VAL A CG2 1 ATOM 648 N N . LYS A 1 86 ? 3.128 -55.544 -66.290 1.00 67.98 ? 86 LYS A N 1 ATOM 649 C CA . LYS A 1 86 ? 4.167 -55.765 -65.281 1.00 70.84 ? 86 LYS A CA 1 ATOM 650 C C . LYS A 1 86 ? 3.786 -56.856 -64.281 1.00 71.37 ? 86 LYS A C 1 ATOM 651 O O . LYS A 1 86 ? 4.658 -57.542 -63.742 1.00 74.00 ? 86 LYS A O 1 ATOM 652 C CB . LYS A 1 86 ? 4.477 -54.466 -64.530 1.00 70.96 ? 86 LYS A CB 1 ATOM 653 C CG . LYS A 1 86 ? 5.288 -53.448 -65.321 1.00 72.26 ? 86 LYS A CG 1 ATOM 654 C CD . LYS A 1 86 ? 5.341 -52.103 -64.604 1.00 71.86 ? 86 LYS A CD 1 ATOM 655 C CE . LYS A 1 86 ? 6.039 -51.054 -65.452 1.00 73.14 ? 86 LYS A CE 1 ATOM 656 N NZ . LYS A 1 86 ? 5.774 -49.677 -64.961 1.00 72.50 ? 86 LYS A NZ 1 ATOM 657 N N . MET A 1 87 ? 2.485 -57.005 -64.035 1.00 69.36 ? 87 MET A N 1 ATOM 658 C CA . MET A 1 87 ? 1.974 -58.037 -63.136 1.00 70.12 ? 87 MET A CA 1 ATOM 659 C C . MET A 1 87 ? 2.063 -59.417 -63.782 1.00 71.97 ? 87 MET A C 1 ATOM 660 O O . MET A 1 87 ? 2.324 -60.412 -63.104 1.00 74.00 ? 87 MET A O 1 ATOM 661 C CB . MET A 1 87 ? 0.532 -57.734 -62.741 1.00 67.49 ? 87 MET A CB 1 ATOM 662 C CG . MET A 1 87 ? 0.178 -58.177 -61.337 1.00 68.22 ? 87 MET A CG 1 ATOM 663 S SD . MET A 1 87 ? -1.513 -57.761 -60.880 1.00 65.70 ? 87 MET A SD 1 ATOM 664 C CE . MET A 1 87 ? -2.362 -59.211 -61.502 1.00 66.04 ? 87 MET A CE 1 ATOM 665 N N . MET A 1 88 ? 1.846 -59.463 -65.095 1.00 71.74 ? 88 MET A N 1 ATOM 666 C CA . MET A 1 88 ? 1.973 -60.693 -65.874 1.00 73.93 ? 88 MET A CA 1 ATOM 667 C C . MET A 1 88 ? 3.284 -60.668 -66.663 1.00 76.58 ? 88 MET A C 1 ATOM 668 O O . MET A 1 88 ? 3.322 -61.066 -67.831 1.00 77.23 ? 88 MET A O 1 ATOM 669 C CB . MET A 1 88 ? 0.788 -60.836 -66.838 1.00 72.03 ? 88 MET A CB 1 ATOM 670 C CG . MET A 1 88 ? -0.564 -60.374 -66.295 1.00 69.75 ? 88 MET A CG 1 ATOM 671 S SD . MET A 1 88 ? -1.530 -61.649 -65.462 1.00 71.36 ? 88 MET A SD 1 ATOM 672 C CE . MET A 1 88 ? -0.761 -61.727 -63.846 1.00 72.47 ? 88 MET A CE 1 ATOM 673 N N . SER A 1 89 ? 4.354 -60.202 -66.014 1.00 78.56 ? 89 SER A N 1 ATOM 674 C CA . SER A 1 89 ? 5.635 -59.934 -66.684 1.00 81.30 ? 89 SER A CA 1 ATOM 675 C C . SER A 1 89 ? 6.057 -61.024 -67.675 1.00 84.06 ? 89 SER A C 1 ATOM 676 O O . SER A 1 89 ? 6.194 -60.734 -68.868 1.00 84.31 ? 89 SER A O 1 ATOM 677 C CB . SER A 1 89 ? 6.750 -59.631 -65.672 1.00 83.55 ? 89 SER A CB 1 ATOM 678 N N . PRO A 1 90 ? 6.241 -62.279 -67.199 1.00 86.56 ? 90 PRO A N 1 ATOM 679 C CA . PRO A 1 90 ? 6.658 -63.338 -68.131 1.00 89.52 ? 90 PRO A CA 1 ATOM 680 C C . PRO A 1 90 ? 5.532 -63.834 -69.051 1.00 88.04 ? 90 PRO A C 1 ATOM 681 O O . PRO A 1 90 ? 5.818 -64.392 -70.117 1.00 89.98 ? 90 PRO A O 1 ATOM 682 C CB . PRO A 1 90 ? 7.124 -64.471 -67.199 1.00 92.50 ? 90 PRO A CB 1 ATOM 683 C CG . PRO A 1 90 ? 7.215 -63.859 -65.823 1.00 91.57 ? 90 PRO A CG 1 ATOM 684 C CD . PRO A 1 90 ? 6.183 -62.783 -65.813 1.00 87.21 ? 90 PRO A CD 1 ATOM 685 N N . LYS A 1 91 ? 4.278 -63.618 -68.644 1.00 84.90 ? 91 LYS A N 1 ATOM 686 C CA . LYS A 1 91 ? 3.104 -64.134 -69.364 1.00 83.67 ? 91 LYS A CA 1 ATOM 687 C C . LYS A 1 91 ? 2.877 -63.423 -70.699 1.00 82.29 ? 91 LYS A C 1 ATOM 688 O O . LYS A 1 91 ? 3.203 -63.962 -71.759 1.00 84.40 ? 91 LYS A O 1 ATOM 689 C CB . LYS A 1 91 ? 1.841 -64.056 -68.492 1.00 80.98 ? 91 LYS A CB 1 ATOM 690 C CG . LYS A 1 91 ? 1.920 -64.840 -67.185 1.00 82.75 ? 91 LYS A CG 1 ATOM 691 N N . GLU A 1 92 ? 2.316 -62.218 -70.636 1.00 79.18 ? 92 GLU A N 1 ATOM 692 C CA . GLU A 1 92 ? 2.085 -61.400 -71.822 1.00 77.84 ? 92 GLU A CA 1 ATOM 693 C C . GLU A 1 92 ? 3.176 -60.337 -71.965 1.00 78.53 ? 92 GLU A C 1 ATOM 694 O O . GLU A 1 92 ? 3.748 -59.884 -70.966 1.00 78.99 ? 92 GLU A O 1 ATOM 695 C CB . GLU A 1 92 ? 0.707 -60.739 -71.754 1.00 74.27 ? 92 GLU A CB 1 ATOM 696 N N . ASP A 1 93 ? 3.466 -59.955 -73.208 1.00 78.95 ? 93 ASP A N 1 ATOM 697 C CA . ASP A 1 93 ? 4.455 -58.911 -73.495 1.00 79.74 ? 93 ASP A CA 1 ATOM 698 C C . ASP A 1 93 ? 4.128 -58.139 -74.777 1.00 78.61 ? 93 ASP A C 1 ATOM 699 O O . ASP A 1 93 ? 3.339 -58.596 -75.611 1.00 77.87 ? 93 ASP A O 1 ATOM 700 C CB . ASP A 1 93 ? 5.881 -59.491 -73.538 1.00 83.98 ? 93 ASP A CB 1 ATOM 701 C CG . ASP A 1 93 ? 6.054 -60.573 -74.596 1.00 86.65 ? 93 ASP A CG 1 ATOM 702 O OD1 . ASP A 1 93 ? 5.064 -61.260 -74.936 1.00 85.43 ? 93 ASP A OD1 1 ATOM 703 O OD2 . ASP A 1 93 ? 7.193 -60.741 -75.085 1.00 90.42 ? 93 ASP A OD2 1 ATOM 704 N N . TYR A 1 94 ? 4.744 -56.968 -74.919 1.00 78.64 ? 94 TYR A N 1 ATOM 705 C CA . TYR A 1 94 ? 4.475 -56.050 -76.025 1.00 77.56 ? 94 TYR A CA 1 ATOM 706 C C . TYR A 1 94 ? 4.917 -56.608 -77.384 1.00 79.98 ? 94 TYR A C 1 ATOM 707 O O . TYR A 1 94 ? 5.809 -57.457 -77.436 1.00 83.14 ? 94 TYR A O 1 ATOM 708 C CB . TYR A 1 94 ? 5.148 -54.705 -75.749 1.00 78.09 ? 94 TYR A CB 1 ATOM 709 C CG . TYR A 1 94 ? 4.724 -54.080 -74.444 1.00 75.68 ? 94 TYR A CG 1 ATOM 710 C CD1 . TYR A 1 94 ? 3.460 -53.513 -74.302 1.00 72.46 ? 94 TYR A CD1 1 ATOM 711 C CD2 . TYR A 1 94 ? 5.583 -54.059 -73.348 1.00 77.14 ? 94 TYR A CD2 1 ATOM 712 C CE1 . TYR A 1 94 ? 3.060 -52.936 -73.100 1.00 70.72 ? 94 TYR A CE1 1 ATOM 713 C CE2 . TYR A 1 94 ? 5.194 -53.483 -72.141 1.00 75.35 ? 94 TYR A CE2 1 ATOM 714 C CZ . TYR A 1 94 ? 3.931 -52.923 -72.026 1.00 72.10 ? 94 TYR A CZ 1 ATOM 715 O OH . TYR A 1 94 ? 3.530 -52.352 -70.843 1.00 70.64 ? 94 TYR A OH 1 ATOM 716 N N . PRO A 1 95 ? 4.303 -56.130 -78.491 1.00 78.76 ? 95 PRO A N 1 ATOM 717 C CA . PRO A 1 95 ? 3.277 -55.083 -78.562 1.00 75.26 ? 95 PRO A CA 1 ATOM 718 C C . PRO A 1 95 ? 1.873 -55.590 -78.236 1.00 71.91 ? 95 PRO A C 1 ATOM 719 O O . PRO A 1 95 ? 1.520 -56.717 -78.590 1.00 72.60 ? 95 PRO A O 1 ATOM 720 C CB . PRO A 1 95 ? 3.358 -54.613 -80.015 1.00 76.60 ? 95 PRO A CB 1 ATOM 721 C CG . PRO A 1 95 ? 3.837 -55.800 -80.772 1.00 79.53 ? 95 PRO A CG 1 ATOM 722 C CD . PRO A 1 95 ? 4.654 -56.644 -79.829 1.00 81.40 ? 95 PRO A CD 1 ATOM 723 N N . ILE A 1 96 ? 1.085 -54.754 -77.565 1.00 68.67 ? 96 ILE A N 1 ATOM 724 C CA . ILE A 1 96 ? -0.257 -55.130 -77.137 1.00 65.59 ? 96 ILE A CA 1 ATOM 725 C C . ILE A 1 96 ? -1.289 -54.174 -77.724 1.00 63.38 ? 96 ILE A C 1 ATOM 726 O O . ILE A 1 96 ? -1.126 -52.953 -77.646 1.00 62.94 ? 96 ILE A O 1 ATOM 727 C CB . ILE A 1 96 ? -0.360 -55.183 -75.593 1.00 64.39 ? 96 ILE A CB 1 ATOM 728 C CG1 . ILE A 1 96 ? 0.517 -56.316 -75.052 1.00 66.64 ? 96 ILE A CG1 1 ATOM 729 C CG2 . ILE A 1 96 ? -1.800 -55.390 -75.146 1.00 61.79 ? 96 ILE A CG2 1 ATOM 730 C CD1 . ILE A 1 96 ? 0.743 -56.288 -73.561 1.00 66.38 ? 96 ILE A CD1 1 ATOM 731 N N . GLU A 1 97 ? -2.338 -54.742 -78.320 1.00 62.29 ? 97 GLU A N 1 ATOM 732 C CA . GLU A 1 97 ? -3.420 -53.963 -78.922 1.00 60.34 ? 97 GLU A CA 1 ATOM 733 C C . GLU A 1 97 ? -4.736 -54.177 -78.188 1.00 57.95 ? 97 GLU A C 1 ATOM 734 O O . GLU A 1 97 ? -5.218 -55.308 -78.071 1.00 58.16 ? 97 GLU A O 1 ATOM 735 C CB . GLU A 1 97 ? -3.593 -54.307 -80.405 1.00 61.64 ? 97 GLU A CB 1 ATOM 736 C CG . GLU A 1 97 ? -2.374 -54.025 -81.282 1.00 64.60 ? 97 GLU A CG 1 ATOM 737 C CD . GLU A 1 97 ? -2.099 -52.544 -81.489 1.00 64.77 ? 97 GLU A CD 1 ATOM 738 O OE1 . GLU A 1 97 ? -2.927 -51.704 -81.071 1.00 63.08 ? 97 GLU A OE1 1 ATOM 739 O OE2 . GLU A 1 97 ? -1.046 -52.219 -82.077 1.00 67.33 ? 97 GLU A OE2 1 ATOM 740 N N . ILE A 1 98 ? -5.309 -53.078 -77.702 1.00 55.96 ? 98 ILE A N 1 ATOM 741 C CA . ILE A 1 98 ? -6.556 -53.108 -76.941 1.00 53.86 ? 98 ILE A CA 1 ATOM 742 C C . ILE A 1 98 ? -7.627 -52.267 -77.630 1.00 52.63 ? 98 ILE A C 1 ATOM 743 O O . ILE A 1 98 ? -7.364 -51.147 -78.065 1.00 52.62 ? 98 ILE A O 1 ATOM 744 C CB . ILE A 1 98 ? -6.329 -52.665 -75.467 1.00 53.13 ? 98 ILE A CB 1 ATOM 745 C CG1 . ILE A 1 98 ? -5.411 -53.677 -74.766 1.00 54.55 ? 98 ILE A CG1 1 ATOM 746 C CG2 . ILE A 1 98 ? -7.651 -52.528 -74.717 1.00 51.29 ? 98 ILE A CG2 1 ATOM 747 C CD1 . ILE A 1 98 ? -5.210 -53.454 -73.292 1.00 54.12 ? 98 ILE A CD1 1 ATOM 748 N N . GLN A 1 99 ? -8.829 -52.830 -77.736 1.00 51.99 ? 99 GLN A N 1 ATOM 749 C CA . GLN A 1 99 ? -9.959 -52.169 -78.388 1.00 51.21 ? 99 GLN A CA 1 ATOM 750 C C . GLN A 1 99 ? -11.182 -52.159 -77.482 1.00 50.19 ? 99 GLN A C 1 ATOM 751 O O . GLN A 1 99 ? -11.593 -53.205 -76.976 1.00 50.44 ? 99 GLN A O 1 ATOM 752 C CB . GLN A 1 99 ? -10.314 -52.880 -79.693 1.00 52.21 ? 99 GLN A CB 1 ATOM 753 C CG . GLN A 1 99 ? -9.358 -52.623 -80.837 1.00 53.43 ? 99 GLN A CG 1 ATOM 754 C CD . GLN A 1 99 ? -9.307 -53.783 -81.805 1.00 55.02 ? 99 GLN A CD 1 ATOM 755 O OE1 . GLN A 1 99 ? -8.707 -54.820 -81.515 1.00 56.20 ? 99 GLN A OE1 1 ATOM 756 N NE2 . GLN A 1 99 ? -9.935 -53.617 -82.964 1.00 55.32 ? 99 GLN A NE2 1 ATOM 757 N N . LEU A 1 100 ? -11.763 -50.979 -77.288 1.00 49.42 ? 100 LEU A N 1 ATOM 758 C CA . LEU A 1 100 ? -12.990 -50.852 -76.512 1.00 48.97 ? 100 LEU A CA 1 ATOM 759 C C . LEU A 1 100 ? -14.160 -50.399 -77.371 1.00 48.97 ? 100 LEU A C 1 ATOM 760 O O . LEU A 1 100 ? -14.096 -49.355 -78.020 1.00 49.00 ? 100 LEU A O 1 ATOM 761 C CB . LEU A 1 100 ? -12.799 -49.890 -75.341 1.00 48.50 ? 100 LEU A CB 1 ATOM 762 C CG . LEU A 1 100 ? -12.381 -50.488 -73.997 1.00 49.06 ? 100 LEU A CG 1 ATOM 763 C CD1 . LEU A 1 100 ? -10.885 -50.807 -73.957 1.00 49.53 ? 100 LEU A CD1 1 ATOM 764 C CD2 . LEU A 1 100 ? -12.761 -49.525 -72.878 1.00 48.93 ? 100 LEU A CD2 1 ATOM 765 N N . SER A 1 101 ? -15.220 -51.200 -77.377 1.00 49.36 ? 101 SER A N 1 ATOM 766 C CA . SER A 1 101 ? -16.458 -50.841 -78.046 1.00 49.82 ? 101 SER A CA 1 ATOM 767 C C . SER A 1 101 ? -17.530 -50.694 -76.987 1.00 50.04 ? 101 SER A C 1 ATOM 768 O O . SER A 1 101 ? -17.945 -51.677 -76.368 1.00 50.76 ? 101 SER A O 1 ATOM 769 C CB . SER A 1 101 ? -16.862 -51.905 -79.061 1.00 50.95 ? 101 SER A CB 1 ATOM 770 O OG . SER A 1 101 ? -18.088 -51.565 -79.686 1.00 51.18 ? 101 SER A OG 1 ATOM 771 N N . ALA A 1 102 ? -17.974 -49.461 -76.782 1.00 49.91 ? 102 ALA A N 1 ATOM 772 C CA . ALA A 1 102 ? -18.876 -49.159 -75.692 1.00 50.45 ? 102 ALA A CA 1 ATOM 773 C C . ALA A 1 102 ? -19.993 -48.239 -76.144 1.00 51.39 ? 102 ALA A C 1 ATOM 774 O O . ALA A 1 102 ? -19.746 -47.094 -76.542 1.00 51.36 ? 102 ALA A O 1 ATOM 775 C CB . ALA A 1 102 ? -18.110 -48.529 -74.545 1.00 49.85 ? 102 ALA A CB 1 ATOM 776 N N . GLY A 1 103 ? -21.224 -48.734 -76.070 1.00 52.63 ? 103 GLY A N 1 ATOM 777 C CA . GLY A 1 103 ? -22.373 -47.910 -76.388 1.00 53.77 ? 103 GLY A CA 1 ATOM 778 C C . GLY A 1 103 ? -23.679 -48.366 -75.779 1.00 55.49 ? 103 GLY A C 1 ATOM 779 O O . GLY A 1 103 ? -23.708 -48.974 -74.704 1.00 55.67 ? 103 GLY A O 1 ATOM 780 N N . CYS A 1 104 ? -24.760 -48.045 -76.486 1.00 56.93 ? 104 CYS A N 1 ATOM 781 C CA . CYS A 1 104 ? -26.118 -48.407 -76.112 1.00 59.18 ? 104 CYS A CA 1 ATOM 782 C C . CYS A 1 104 ? -27.002 -48.311 -77.356 1.00 60.89 ? 104 CYS A C 1 ATOM 783 O O . CYS A 1 104 ? -26.804 -47.429 -78.195 1.00 60.44 ? 104 CYS A O 1 ATOM 784 C CB . CYS A 1 104 ? -26.633 -47.499 -74.986 1.00 59.71 ? 104 CYS A CB 1 ATOM 785 S SG . CYS A 1 104 ? -26.406 -45.701 -75.224 1.00 59.15 ? 104 CYS A SG 1 ATOM 786 N N . GLU A 1 105 ? -27.953 -49.233 -77.487 1.00 63.23 ? 105 GLU A N 1 ATOM 787 C CA . GLU A 1 105 ? -28.887 -49.230 -78.615 1.00 65.43 ? 105 GLU A CA 1 ATOM 788 C C . GLU A 1 105 ? -30.263 -48.748 -78.164 1.00 68.14 ? 105 GLU A C 1 ATOM 789 O O . GLU A 1 105 ? -30.795 -49.236 -77.167 1.00 69.72 ? 105 GLU A O 1 ATOM 790 C CB . GLU A 1 105 ? -28.989 -50.626 -79.239 1.00 66.58 ? 105 GLU A CB 1 ATOM 791 N N . MET A 1 106 ? -30.834 -47.792 -78.894 1.00 69.20 ? 106 MET A N 1 ATOM 792 C CA . MET A 1 106 ? -32.131 -47.210 -78.526 1.00 72.07 ? 106 MET A CA 1 ATOM 793 C C . MET A 1 106 ? -33.306 -47.940 -79.177 1.00 75.31 ? 106 MET A C 1 ATOM 794 O O . MET A 1 106 ? -33.174 -48.511 -80.260 1.00 75.44 ? 106 MET A O 1 ATOM 795 C CB . MET A 1 106 ? -32.182 -45.715 -78.862 1.00 71.86 ? 106 MET A CB 1 ATOM 796 C CG . MET A 1 106 ? -31.075 -44.876 -78.218 1.00 69.78 ? 106 MET A CG 1 ATOM 797 S SD . MET A 1 106 ? -30.976 -44.914 -76.405 1.00 70.31 ? 106 MET A SD 1 ATOM 798 C CE . MET A 1 106 ? -32.434 -43.971 -75.940 1.00 73.75 ? 106 MET A CE 1 ATOM 799 N N . TYR A 1 107 ? -34.452 -47.920 -78.499 1.00 78.39 ? 107 TYR A N 1 ATOM 800 C CA . TYR A 1 107 ? -35.663 -48.582 -78.983 1.00 82.16 ? 107 TYR A CA 1 ATOM 801 C C . TYR A 1 107 ? -36.888 -47.693 -78.767 1.00 85.26 ? 107 TYR A C 1 ATOM 802 O O . TYR A 1 107 ? -37.950 -47.920 -79.353 1.00 88.61 ? 107 TYR A O 1 ATOM 803 C CB . TYR A 1 107 ? -35.862 -49.934 -78.284 1.00 83.71 ? 107 TYR A CB 1 ATOM 804 C CG . TYR A 1 107 ? -34.721 -50.923 -78.453 1.00 81.44 ? 107 TYR A CG 1 ATOM 805 C CD1 . TYR A 1 107 ? -33.636 -50.923 -77.574 1.00 78.64 ? 107 TYR A CD1 1 ATOM 806 C CD2 . TYR A 1 107 ? -34.737 -51.871 -79.479 1.00 82.67 ? 107 TYR A CD2 1 ATOM 807 C CE1 . TYR A 1 107 ? -32.589 -51.829 -77.720 1.00 76.95 ? 107 TYR A CE1 1 ATOM 808 C CE2 . TYR A 1 107 ? -33.695 -52.787 -79.632 1.00 80.91 ? 107 TYR A CE2 1 ATOM 809 C CZ . TYR A 1 107 ? -32.624 -52.758 -78.748 1.00 78.18 ? 107 TYR A CZ 1 ATOM 810 O OH . TYR A 1 107 ? -31.587 -53.654 -78.889 1.00 76.56 ? 107 TYR A OH 1 ATOM 811 N N . GLY A 1 109 ? -39.925 -47.543 -77.603 1.00 93.94 ? 109 GLY A N 1 ATOM 812 C CA . GLY A 1 109 ? -40.722 -46.756 -76.668 1.00 96.57 ? 109 GLY A CA 1 ATOM 813 C C . GLY A 1 109 ? -39.997 -46.493 -75.362 1.00 94.34 ? 109 GLY A C 1 ATOM 814 O O . GLY A 1 109 ? -40.325 -47.088 -74.330 1.00 96.17 ? 109 GLY A O 1 ATOM 815 N N . ASN A 1 110 ? -39.012 -45.597 -75.416 1.00 90.63 ? 110 ASN A N 1 ATOM 816 C CA . ASN A 1 110 ? -38.211 -45.205 -74.251 1.00 88.44 ? 110 ASN A CA 1 ATOM 817 C C . ASN A 1 110 ? -37.578 -46.403 -73.525 1.00 86.97 ? 110 ASN A C 1 ATOM 818 O O . ASN A 1 110 ? -37.763 -46.590 -72.317 1.00 88.38 ? 110 ASN A O 1 ATOM 819 C CB . ASN A 1 110 ? -39.035 -44.324 -73.291 1.00 91.61 ? 110 ASN A CB 1 ATOM 820 C CG . ASN A 1 110 ? -38.166 -43.477 -72.364 1.00 89.29 ? 110 ASN A CG 1 ATOM 821 O OD1 . ASN A 1 110 ? -36.946 -43.400 -72.521 1.00 85.03 ? 110 ASN A OD1 1 ATOM 822 N ND2 . ASN A 1 110 ? -38.802 -42.832 -71.393 1.00 92.25 ? 110 ASN A ND2 1 ATOM 823 N N . ALA A 1 111 ? -36.840 -47.213 -74.284 1.00 84.43 ? 111 ALA A N 1 ATOM 824 C CA . ALA A 1 111 ? -36.157 -48.400 -73.759 1.00 82.86 ? 111 ALA A CA 1 ATOM 825 C C . ALA A 1 111 ? -34.837 -48.615 -74.490 1.00 78.64 ? 111 ALA A C 1 ATOM 826 O O . ALA A 1 111 ? -34.722 -48.302 -75.678 1.00 77.80 ? 111 ALA A O 1 ATOM 827 C CB . ALA A 1 111 ? -37.044 -49.631 -73.889 1.00 86.33 ? 111 ALA A CB 1 ATOM 828 N N . SER A 1 112 ? -33.844 -49.147 -73.779 1.00 76.18 ? 112 SER A N 1 ATOM 829 C CA . SER A 1 112 ? -32.505 -49.331 -74.343 1.00 72.30 ? 112 SER A CA 1 ATOM 830 C C . SER A 1 112 ? -31.734 -50.493 -73.712 1.00 71.23 ? 112 SER A C 1 ATOM 831 O O . SER A 1 112 ? -32.171 -51.084 -72.723 1.00 73.14 ? 112 SER A O 1 ATOM 832 C CB . SER A 1 112 ? -31.694 -48.031 -74.229 1.00 69.67 ? 112 SER A CB 1 ATOM 833 O OG . SER A 1 112 ? -31.673 -47.547 -72.898 1.00 69.71 ? 112 SER A OG 1 ATOM 834 N N . GLU A 1 113 ? -30.591 -50.822 -74.308 1.00 68.40 ? 113 GLU A N 1 ATOM 835 C CA . GLU A 1 113 ? -29.669 -51.795 -73.737 1.00 67.15 ? 113 GLU A CA 1 ATOM 836 C C . GLU A 1 113 ? -28.225 -51.371 -74.009 1.00 63.39 ? 113 GLU A C 1 ATOM 837 O O . GLU A 1 113 ? -27.826 -51.193 -75.163 1.00 62.33 ? 113 GLU A O 1 ATOM 838 C CB . GLU A 1 113 ? -29.940 -53.196 -74.289 1.00 69.06 ? 113 GLU A CB 1 ATOM 839 C CG . GLU A 1 113 ? -29.385 -54.313 -73.413 1.00 70.06 ? 113 GLU A CG 1 ATOM 840 C CD . GLU A 1 113 ? -29.326 -55.656 -74.125 1.00 72.52 ? 113 GLU A CD 1 ATOM 841 O OE1 . GLU A 1 113 ? -30.367 -56.108 -74.661 1.00 75.50 ? 113 GLU A OE1 1 ATOM 842 O OE2 . GLU A 1 113 ? -28.232 -56.264 -74.136 1.00 71.22 ? 113 GLU A OE2 1 ATOM 843 N N . SER A 1 114 ? -27.452 -51.209 -72.937 1.00 61.61 ? 114 SER A N 1 ATOM 844 C CA . SER A 1 114 ? -26.070 -50.750 -73.034 1.00 58.43 ? 114 SER A CA 1 ATOM 845 C C . SER A 1 114 ? -25.072 -51.904 -73.064 1.00 57.37 ? 114 SER A C 1 ATOM 846 O O . SER A 1 114 ? -25.415 -53.044 -72.749 1.00 59.03 ? 114 SER A O 1 ATOM 847 C CB . SER A 1 114 ? -25.745 -49.804 -71.881 1.00 57.73 ? 114 SER A CB 1 ATOM 848 O OG . SER A 1 114 ? -26.593 -48.668 -71.907 1.00 58.86 ? 114 SER A OG 1 ATOM 849 N N . PHE A 1 115 ? -23.836 -51.595 -73.449 1.00 54.89 ? 115 PHE A N 1 ATOM 850 C CA . PHE A 1 115 ? -22.781 -52.595 -73.577 1.00 53.96 ? 115 PHE A CA 1 ATOM 851 C C . PHE A 1 115 ? -21.396 -51.964 -73.525 1.00 51.64 ? 115 PHE A C 1 ATOM 852 O O . PHE A 1 115 ? -21.207 -50.833 -73.973 1.00 50.62 ? 115 PHE A O 1 ATOM 853 C CB . PHE A 1 115 ? -22.944 -53.378 -74.886 1.00 54.90 ? 115 PHE A CB 1 ATOM 854 C CG . PHE A 1 115 ? -22.916 -52.517 -76.121 1.00 54.09 ? 115 PHE A CG 1 ATOM 855 C CD1 . PHE A 1 115 ? -24.077 -51.915 -76.594 1.00 55.20 ? 115 PHE A CD1 1 ATOM 856 C CD2 . PHE A 1 115 ? -21.732 -52.320 -76.821 1.00 52.71 ? 115 PHE A CD2 1 ATOM 857 C CE1 . PHE A 1 115 ? -24.058 -51.123 -77.733 1.00 54.72 ? 115 PHE A CE1 1 ATOM 858 C CE2 . PHE A 1 115 ? -21.704 -51.526 -77.961 1.00 52.67 ? 115 PHE A CE2 1 ATOM 859 C CZ . PHE A 1 115 ? -22.870 -50.926 -78.416 1.00 53.49 ? 115 PHE A CZ 1 ATOM 860 N N . LEU A 1 116 ? -20.436 -52.701 -72.971 1.00 51.06 ? 116 LEU A N 1 ATOM 861 C CA . LEU A 1 116 ? -19.026 -52.318 -73.021 1.00 49.43 ? 116 LEU A CA 1 ATOM 862 C C . LEU A 1 116 ? -18.173 -53.548 -73.298 1.00 49.67 ? 116 LEU A C 1 ATOM 863 O O . LEU A 1 116 ? -17.975 -54.383 -72.416 1.00 50.38 ? 116 LEU A O 1 ATOM 864 C CB . LEU A 1 116 ? -18.587 -51.652 -71.715 1.00 48.94 ? 116 LEU A CB 1 ATOM 865 C CG . LEU A 1 116 ? -17.432 -50.643 -71.785 1.00 47.77 ? 116 LEU A CG 1 ATOM 866 C CD1 . LEU A 1 116 ? -17.493 -49.665 -70.614 1.00 47.77 ? 116 LEU A CD1 1 ATOM 867 C CD2 . LEU A 1 116 ? -16.066 -51.318 -71.857 1.00 47.71 ? 116 LEU A CD2 1 ATOM 868 N N . HIS A 1 117 ? -17.674 -53.649 -74.528 1.00 49.28 ? 117 HIS A N 1 ATOM 869 C CA . HIS A 1 117 ? -16.873 -54.789 -74.954 1.00 49.81 ? 117 HIS A CA 1 ATOM 870 C C . HIS A 1 117 ? -15.401 -54.422 -75.082 1.00 48.85 ? 117 HIS A C 1 ATOM 871 O O . HIS A 1 117 ? -15.067 -53.364 -75.612 1.00 48.04 ? 117 HIS A O 1 ATOM 872 C CB . HIS A 1 117 ? -17.394 -55.336 -76.283 1.00 50.98 ? 117 HIS A CB 1 ATOM 873 C CG . HIS A 1 117 ? -18.823 -55.781 -76.238 1.00 52.37 ? 117 HIS A CG 1 ATOM 874 N ND1 . HIS A 1 117 ? -19.328 -56.564 -75.223 1.00 53.35 ? 117 HIS A ND1 1 ATOM 875 C CD2 . HIS A 1 117 ? -19.852 -55.559 -77.090 1.00 53.13 ? 117 HIS A CD2 1 ATOM 876 C CE1 . HIS A 1 117 ? -20.609 -56.796 -75.446 1.00 55.08 ? 117 HIS A CE1 1 ATOM 877 N NE2 . HIS A 1 117 ? -20.952 -56.198 -76.572 1.00 54.59 ? 117 HIS A NE2 1 ATOM 878 N N . VAL A 1 118 ? -14.530 -55.302 -74.588 1.00 49.36 ? 118 VAL A N 1 ATOM 879 C CA . VAL A 1 118 ? -13.076 -55.100 -74.638 1.00 48.97 ? 118 VAL A CA 1 ATOM 880 C C . VAL A 1 118 ? -12.382 -56.252 -75.377 1.00 50.44 ? 118 VAL A C 1 ATOM 881 O O . VAL A 1 118 ? -12.695 -57.425 -75.151 1.00 51.72 ? 118 VAL A O 1 ATOM 882 C CB . VAL A 1 118 ? -12.464 -54.933 -73.220 1.00 48.56 ? 118 VAL A CB 1 ATOM 883 C CG1 . VAL A 1 118 ? -10.979 -54.613 -73.302 1.00 48.48 ? 118 VAL A CG1 1 ATOM 884 C CG2 . VAL A 1 118 ? -13.176 -53.832 -72.454 1.00 47.63 ? 118 VAL A CG2 1 ATOM 885 N N . ALA A 1 119 ? -11.443 -55.899 -76.255 1.00 50.53 ? 119 ALA A N 1 ATOM 886 C CA . ALA A 1 119 ? -10.693 -56.874 -77.046 1.00 52.34 ? 119 ALA A CA 1 ATOM 887 C C . ALA A 1 119 ? -9.187 -56.846 -76.755 1.00 52.99 ? 119 ALA A C 1 ATOM 888 O O . ALA A 1 119 ? -8.594 -55.776 -76.594 1.00 52.19 ? 119 ALA A O 1 ATOM 889 C CB . ALA A 1 119 ? -10.952 -56.662 -78.529 1.00 52.75 ? 119 ALA A CB 1 ATOM 890 N N . PHE A 1 120 ? -8.580 -58.030 -76.693 1.00 54.81 ? 120 PHE A N 1 ATOM 891 C CA . PHE A 1 120 ? -7.143 -58.165 -76.455 1.00 55.89 ? 120 PHE A CA 1 ATOM 892 C C . PHE A 1 120 ? -6.466 -58.906 -77.610 1.00 58.20 ? 120 PHE A C 1 ATOM 893 O O . PHE A 1 120 ? -6.726 -60.093 -77.836 1.00 59.93 ? 120 PHE A O 1 ATOM 894 C CB . PHE A 1 120 ? -6.891 -58.886 -75.128 1.00 56.51 ? 120 PHE A CB 1 ATOM 895 C CG . PHE A 1 120 ? -5.435 -59.067 -74.792 1.00 57.77 ? 120 PHE A CG 1 ATOM 896 C CD1 . PHE A 1 120 ? -4.736 -58.072 -74.116 1.00 56.74 ? 120 PHE A CD1 1 ATOM 897 C CD2 . PHE A 1 120 ? -4.770 -60.242 -75.131 1.00 60.44 ? 120 PHE A CD2 1 ATOM 898 C CE1 . PHE A 1 120 ? -3.394 -58.237 -73.797 1.00 58.53 ? 120 PHE A CE1 1 ATOM 899 C CE2 . PHE A 1 120 ? -3.423 -60.418 -74.818 1.00 62.33 ? 120 PHE A CE2 1 ATOM 900 C CZ . PHE A 1 120 ? -2.734 -59.413 -74.149 1.00 61.35 ? 120 PHE A CZ 1 ATOM 901 N N . GLN A 1 121 ? -5.589 -58.190 -78.315 1.00 58.52 ? 121 GLN A N 1 ATOM 902 C CA . GLN A 1 121 ? -4.902 -58.677 -79.523 1.00 60.83 ? 121 GLN A CA 1 ATOM 903 C C . GLN A 1 121 ? -5.876 -59.043 -80.644 1.00 61.11 ? 121 GLN A C 1 ATOM 904 O O . GLN A 1 121 ? -5.674 -60.028 -81.358 1.00 63.51 ? 121 GLN A O 1 ATOM 905 C CB . GLN A 1 121 ? -3.937 -59.837 -79.215 1.00 63.49 ? 121 GLN A CB 1 ATOM 906 C CG . GLN A 1 121 ? -2.903 -59.553 -78.116 1.00 63.84 ? 121 GLN A CG 1 ATOM 907 C CD . GLN A 1 121 ? -1.839 -58.531 -78.503 1.00 64.53 ? 121 GLN A CD 1 ATOM 908 O OE1 . GLN A 1 121 ? -2.142 -57.436 -78.984 1.00 63.14 ? 121 GLN A OE1 1 ATOM 909 N NE2 . GLN A 1 121 ? -0.581 -58.884 -78.271 1.00 66.87 ? 121 GLN A NE2 1 ATOM 910 N N . GLY A 1 122 ? -6.929 -58.241 -80.784 1.00 58.91 ? 122 GLY A N 1 ATOM 911 C CA . GLY A 1 122 ? -7.933 -58.440 -81.825 1.00 59.22 ? 122 GLY A CA 1 ATOM 912 C C . GLY A 1 122 ? -9.027 -59.434 -81.482 1.00 59.58 ? 122 GLY A C 1 ATOM 913 O O . GLY A 1 122 ? -9.934 -59.657 -82.282 1.00 60.19 ? 122 GLY A O 1 ATOM 914 N N . LYS A 1 123 ? -8.946 -60.034 -80.296 1.00 59.57 ? 123 LYS A N 1 ATOM 915 C CA . LYS A 1 123 ? -9.935 -61.015 -79.850 1.00 60.33 ? 123 LYS A CA 1 ATOM 916 C C . LYS A 1 123 ? -10.753 -60.489 -78.663 1.00 58.29 ? 123 LYS A C 1 ATOM 917 O O . LYS A 1 123 ? -10.203 -59.914 -77.717 1.00 56.98 ? 123 LYS A O 1 ATOM 918 C CB . LYS A 1 123 ? -9.252 -62.336 -79.498 1.00 62.80 ? 123 LYS A CB 1 ATOM 919 C CG . LYS A 1 123 ? -10.202 -63.487 -79.228 0.70 64.61 ? 123 LYS A CG 1 ATOM 920 C CD . LYS A 1 123 ? -9.445 -64.711 -78.739 0.70 67.49 ? 123 LYS A CD 1 ATOM 921 C CE . LYS A 1 123 ? -10.324 -65.953 -78.726 0.70 70.01 ? 123 LYS A CE 1 ATOM 922 N NZ . LYS A 1 123 ? -10.712 -66.375 -80.098 1.00 71.59 ? 123 LYS A NZ 1 ATOM 923 N N . TYR A 1 124 ? -12.065 -60.701 -78.730 1.00 58.35 ? 124 TYR A N 1 ATOM 924 C CA . TYR A 1 124 ? -13.021 -60.231 -77.726 1.00 56.81 ? 124 TYR A CA 1 ATOM 925 C C . TYR A 1 124 ? -12.958 -61.082 -76.458 1.00 57.84 ? 124 TYR A C 1 ATOM 926 O O . TYR A 1 124 ? -13.355 -62.251 -76.475 1.00 60.41 ? 124 TYR A O 1 ATOM 927 C CB . TYR A 1 124 ? -14.426 -60.260 -78.337 1.00 57.19 ? 124 TYR A CB 1 ATOM 928 C CG . TYR A 1 124 ? -15.578 -60.050 -77.382 1.00 56.41 ? 124 TYR A CG 1 ATOM 929 C CD1 . TYR A 1 124 ? -15.691 -58.877 -76.629 1.00 54.56 ? 124 TYR A CD1 1 ATOM 930 C CD2 . TYR A 1 124 ? -16.581 -61.007 -77.264 1.00 58.05 ? 124 TYR A CD2 1 ATOM 931 C CE1 . TYR A 1 124 ? -16.762 -58.679 -75.758 1.00 54.01 ? 124 TYR A CE1 1 ATOM 932 C CE2 . TYR A 1 124 ? -17.656 -60.816 -76.407 1.00 58.32 ? 124 TYR A CE2 1 ATOM 933 C CZ . TYR A 1 124 ? -17.741 -59.650 -75.657 1.00 56.12 ? 124 TYR A CZ 1 ATOM 934 O OH . TYR A 1 124 ? -18.803 -59.464 -74.807 1.00 56.09 ? 124 TYR A OH 1 ATOM 935 N N . VAL A 1 125 ? -12.468 -60.494 -75.365 1.00 56.33 ? 125 VAL A N 1 ATOM 936 C CA . VAL A 1 125 ? -12.219 -61.249 -74.123 1.00 57.33 ? 125 VAL A CA 1 ATOM 937 C C . VAL A 1 125 ? -13.032 -60.833 -72.892 1.00 56.46 ? 125 VAL A C 1 ATOM 938 O O . VAL A 1 125 ? -13.354 -61.673 -72.049 1.00 57.99 ? 125 VAL A O 1 ATOM 939 C CB . VAL A 1 125 ? -10.711 -61.276 -73.733 1.00 57.46 ? 125 VAL A CB 1 ATOM 940 C CG1 . VAL A 1 125 ? -9.912 -62.133 -74.707 1.00 59.65 ? 125 VAL A CG1 1 ATOM 941 C CG2 . VAL A 1 125 ? -10.130 -59.864 -73.624 1.00 55.03 ? 125 VAL A CG2 1 ATOM 942 N N . VAL A 1 126 ? -13.345 -59.544 -72.781 1.00 54.32 ? 126 VAL A N 1 ATOM 943 C CA . VAL A 1 126 ? -13.986 -59.010 -71.577 1.00 53.60 ? 126 VAL A CA 1 ATOM 944 C C . VAL A 1 126 ? -15.158 -58.074 -71.897 1.00 52.62 ? 126 VAL A C 1 ATOM 945 O O . VAL A 1 126 ? -15.172 -57.411 -72.936 1.00 51.75 ? 126 VAL A O 1 ATOM 946 C CB . VAL A 1 126 ? -12.944 -58.303 -70.641 1.00 52.43 ? 126 VAL A CB 1 ATOM 947 C CG1 . VAL A 1 126 ? -13.624 -57.537 -69.516 1.00 51.57 ? 126 VAL A CG1 1 ATOM 948 C CG2 . VAL A 1 126 ? -11.958 -59.313 -70.058 1.00 53.79 ? 126 VAL A CG2 1 ATOM 949 N N . ARG A 1 127 ? -16.143 -58.061 -70.998 1.00 53.16 ? 127 ARG A N 1 ATOM 950 C CA . ARG A 1 127 ? -17.257 -57.112 -71.012 1.00 52.44 ? 127 ARG A CA 1 ATOM 951 C C . ARG A 1 127 ? -17.617 -56.714 -69.585 1.00 52.65 ? 127 ARG A C 1 ATOM 952 O O . ARG A 1 127 ? -17.354 -57.466 -68.644 1.00 53.81 ? 127 ARG A O 1 ATOM 953 C CB . ARG A 1 127 ? -18.487 -57.695 -71.730 1.00 54.02 ? 127 ARG A CB 1 ATOM 954 C CG . ARG A 1 127 ? -18.737 -59.198 -71.512 1.00 56.54 ? 127 ARG A CG 1 ATOM 955 C CD . ARG A 1 127 ? -19.599 -59.499 -70.289 1.00 58.02 ? 127 ARG A CD 1 ATOM 956 N NE . ARG A 1 127 ? -21.009 -59.714 -70.621 1.00 59.70 ? 127 ARG A NE 1 ATOM 957 C CZ . ARG A 1 127 ? -21.610 -60.904 -70.651 1.00 62.53 ? 127 ARG A CZ 1 ATOM 958 N NH1 . ARG A 1 127 ? -20.935 -62.013 -70.375 1.00 64.08 ? 127 ARG A NH1 1 ATOM 959 N NH2 . ARG A 1 127 ? -22.897 -60.985 -70.959 1.00 64.12 ? 127 ARG A NH2 1 ATOM 960 N N . PHE A 1 128 ? -18.203 -55.528 -69.427 1.00 51.83 ? 128 PHE A N 1 ATOM 961 C CA . PHE A 1 128 ? -18.752 -55.101 -68.142 1.00 52.46 ? 128 PHE A CA 1 ATOM 962 C C . PHE A 1 128 ? -20.199 -55.568 -68.027 1.00 54.60 ? 128 PHE A C 1 ATOM 963 O O . PHE A 1 128 ? -21.070 -55.068 -68.732 1.00 54.73 ? 128 PHE A O 1 ATOM 964 C CB . PHE A 1 128 ? -18.673 -53.579 -67.998 1.00 50.99 ? 128 PHE A CB 1 ATOM 965 C CG . PHE A 1 128 ? -18.961 -53.084 -66.606 1.00 51.55 ? 128 PHE A CG 1 ATOM 966 C CD1 . PHE A 1 128 ? -17.943 -52.997 -65.659 1.00 51.02 ? 128 PHE A CD1 1 ATOM 967 C CD2 . PHE A 1 128 ? -20.244 -52.703 -66.240 1.00 52.73 ? 128 PHE A CD2 1 ATOM 968 C CE1 . PHE A 1 128 ? -18.201 -52.543 -64.369 1.00 51.72 ? 128 PHE A CE1 1 ATOM 969 C CE2 . PHE A 1 128 ? -20.510 -52.243 -64.953 1.00 53.81 ? 128 PHE A CE2 1 ATOM 970 C CZ . PHE A 1 128 ? -19.485 -52.161 -64.017 1.00 52.99 ? 128 PHE A CZ 1 ATOM 971 N N . TRP A 1 129 ? -20.451 -56.527 -67.141 1.00 56.80 ? 129 TRP A N 1 ATOM 972 C CA . TRP A 1 129 ? -21.784 -57.123 -67.016 1.00 59.58 ? 129 TRP A CA 1 ATOM 973 C C . TRP A 1 129 ? -22.391 -56.917 -65.633 1.00 61.21 ? 129 TRP A C 1 ATOM 974 O O . TRP A 1 129 ? -22.061 -57.636 -64.683 1.00 62.55 ? 129 TRP A O 1 ATOM 975 C CB . TRP A 1 129 ? -21.744 -58.614 -67.368 1.00 61.61 ? 129 TRP A CB 1 ATOM 976 C CG . TRP A 1 129 ? -23.099 -59.228 -67.643 1.00 64.74 ? 129 TRP A CG 1 ATOM 977 C CD1 . TRP A 1 129 ? -23.631 -60.347 -67.056 1.00 68.04 ? 129 TRP A CD1 1 ATOM 978 C CD2 . TRP A 1 129 ? -24.086 -58.759 -68.575 1.00 64.84 ? 129 TRP A CD2 1 ATOM 979 N NE1 . TRP A 1 129 ? -24.881 -60.603 -67.567 1.00 70.19 ? 129 TRP A NE1 1 ATOM 980 C CE2 . TRP A 1 129 ? -25.186 -59.644 -68.498 1.00 68.37 ? 129 TRP A CE2 1 ATOM 981 C CE3 . TRP A 1 129 ? -24.147 -57.679 -69.468 1.00 62.46 ? 129 TRP A CE3 1 ATOM 982 C CZ2 . TRP A 1 129 ? -26.334 -59.482 -69.279 1.00 69.84 ? 129 TRP A CZ2 1 ATOM 983 C CZ3 . TRP A 1 129 ? -25.288 -57.517 -70.243 1.00 63.84 ? 129 TRP A CZ3 1 ATOM 984 C CH2 . TRP A 1 129 ? -26.366 -58.415 -70.143 1.00 67.54 ? 129 TRP A CH2 1 ATOM 985 N N . GLY A 1 130 ? -23.278 -55.929 -65.533 1.00 61.37 ? 130 GLY A N 1 ATOM 986 C CA . GLY A 1 130 ? -23.954 -55.609 -64.279 1.00 63.13 ? 130 GLY A CA 1 ATOM 987 C C . GLY A 1 130 ? -23.167 -54.636 -63.424 1.00 61.52 ? 130 GLY A C 1 ATOM 988 O O . GLY A 1 130 ? -23.302 -53.420 -63.575 1.00 60.43 ? 130 GLY A O 1 ATOM 989 N N . THR A 1 131 ? -22.342 -55.178 -62.530 1.00 61.64 ? 131 THR A N 1 ATOM 990 C CA . THR A 1 131 ? -21.554 -54.371 -61.593 1.00 60.55 ? 131 THR A CA 1 ATOM 991 C C . THR A 1 131 ? -20.041 -54.569 -61.732 1.00 58.58 ? 131 THR A C 1 ATOM 992 O O . THR A 1 131 ? -19.259 -53.835 -61.121 1.00 57.74 ? 131 THR A O 1 ATOM 993 C CB . THR A 1 131 ? -21.951 -54.649 -60.122 1.00 63.13 ? 131 THR A CB 1 ATOM 994 O OG1 . THR A 1 131 ? -21.933 -56.059 -59.874 1.00 64.79 ? 131 THR A OG1 1 ATOM 995 C CG2 . THR A 1 131 ? -23.337 -54.102 -59.822 1.00 65.35 ? 131 THR A CG2 1 ATOM 996 N N . SER A 1 132 ? -19.631 -55.543 -62.541 1.00 58.11 ? 132 SER A N 1 ATOM 997 C CA . SER A 1 132 ? -18.223 -55.922 -62.620 1.00 56.82 ? 132 SER A CA 1 ATOM 998 C C . SER A 1 132 ? -17.766 -56.271 -64.035 1.00 55.50 ? 132 SER A C 1 ATOM 999 O O . SER A 1 132 ? -18.572 -56.305 -64.966 1.00 55.54 ? 132 SER A O 1 ATOM 1000 C CB . SER A 1 132 ? -17.961 -57.100 -61.682 1.00 58.93 ? 132 SER A CB 1 ATOM 1001 O OG . SER A 1 132 ? -18.874 -58.153 -61.939 1.00 61.08 ? 132 SER A OG 1 ATOM 1002 N N . TRP A 1 133 ? -16.464 -56.513 -64.180 1.00 54.56 ? 133 TRP A N 1 ATOM 1003 C CA . TRP A 1 133 ? -15.875 -56.998 -65.424 1.00 53.88 ? 133 TRP A CA 1 ATOM 1004 C C . TRP A 1 133 ? -16.006 -58.518 -65.497 1.00 56.24 ? 133 TRP A C 1 ATOM 1005 O O . TRP A 1 133 ? -15.943 -59.201 -64.472 1.00 57.90 ? 133 TRP A O 1 ATOM 1006 C CB . TRP A 1 133 ? -14.401 -56.586 -65.518 1.00 52.43 ? 133 TRP A CB 1 ATOM 1007 C CG . TRP A 1 133 ? -14.193 -55.098 -65.472 1.00 50.38 ? 133 TRP A CG 1 ATOM 1008 C CD1 . TRP A 1 133 ? -13.839 -54.349 -64.383 1.00 49.97 ? 133 TRP A CD1 1 ATOM 1009 C CD2 . TRP A 1 133 ? -14.342 -54.177 -66.558 1.00 48.43 ? 133 TRP A CD2 1 ATOM 1010 N NE1 . TRP A 1 133 ? -13.755 -53.022 -64.726 1.00 48.02 ? 133 TRP A NE1 1 ATOM 1011 C CE2 . TRP A 1 133 ? -14.060 -52.888 -66.055 1.00 47.36 ? 133 TRP A CE2 1 ATOM 1012 C CE3 . TRP A 1 133 ? -14.688 -54.315 -67.909 1.00 47.69 ? 133 TRP A CE3 1 ATOM 1013 C CZ2 . TRP A 1 133 ? -14.112 -51.746 -66.854 1.00 46.41 ? 133 TRP A CZ2 1 ATOM 1014 C CZ3 . TRP A 1 133 ? -14.740 -53.179 -68.703 1.00 46.43 ? 133 TRP A CZ3 1 ATOM 1015 C CH2 . TRP A 1 133 ? -14.455 -51.911 -68.172 1.00 45.95 ? 133 TRP A CH2 1 ATOM 1016 N N . GLN A 1 134 ? -16.191 -59.041 -66.706 1.00 56.76 ? 134 GLN A N 1 ATOM 1017 C CA . GLN A 1 134 ? -16.391 -60.477 -66.909 1.00 59.57 ? 134 GLN A CA 1 ATOM 1018 C C . GLN A 1 134 ? -15.594 -61.036 -68.082 1.00 59.83 ? 134 GLN A C 1 ATOM 1019 O O . GLN A 1 134 ? -15.565 -60.442 -69.162 1.00 58.41 ? 134 GLN A O 1 ATOM 1020 C CB . GLN A 1 134 ? -17.873 -60.791 -67.121 1.00 61.22 ? 134 GLN A CB 1 ATOM 1021 C CG . GLN A 1 134 ? -18.665 -61.027 -65.849 1.00 63.14 ? 134 GLN A CG 1 ATOM 1022 C CD . GLN A 1 134 ? -19.906 -61.867 -66.086 0.70 65.81 ? 134 GLN A CD 1 ATOM 1023 O OE1 . GLN A 1 134 ? -20.078 -62.458 -67.153 0.70 66.61 ? 134 GLN A OE1 1 ATOM 1024 N NE2 . GLN A 1 134 ? -20.777 -61.929 -65.087 0.70 67.58 ? 134 GLN A NE2 1 ATOM 1025 N N . THR A 1 135 ? -14.963 -62.188 -67.870 1.00 62.08 ? 135 THR A N 1 ATOM 1026 C CA . THR A 1 135 ? -14.280 -62.884 -68.951 1.00 63.19 ? 135 THR A CA 1 ATOM 1027 C C . THR A 1 135 ? -15.299 -63.679 -69.764 1.00 65.50 ? 135 THR A C 1 ATOM 1028 O O . THR A 1 135 ? -16.022 -64.521 -69.226 1.00 68.03 ? 135 THR A O 1 ATOM 1029 C CB . THR A 1 135 ? -13.135 -63.804 -68.454 1.00 64.89 ? 135 THR A CB 1 ATOM 1030 O OG1 . THR A 1 135 ? -13.675 -64.948 -67.778 1.00 68.03 ? 135 THR A OG1 1 ATOM 1031 C CG2 . THR A 1 135 ? -12.195 -63.046 -67.523 1.00 63.20 ? 135 THR A CG2 1 ATOM 1032 N N . VAL A 1 136 ? -15.355 -63.378 -71.058 1.00 65.02 ? 136 VAL A N 1 ATOM 1033 C CA . VAL A 1 136 ? -16.261 -64.022 -72.002 1.00 67.19 ? 136 VAL A CA 1 ATOM 1034 C C . VAL A 1 136 ? -15.826 -65.469 -72.213 1.00 70.67 ? 136 VAL A C 1 ATOM 1035 O O . VAL A 1 136 ? -14.631 -65.727 -72.337 1.00 70.69 ? 136 VAL A O 1 ATOM 1036 C CB . VAL A 1 136 ? -16.243 -63.269 -73.354 1.00 65.47 ? 136 VAL A CB 1 ATOM 1037 C CG1 . VAL A 1 136 ? -17.213 -63.887 -74.354 1.00 67.88 ? 136 VAL A CG1 1 ATOM 1038 C CG2 . VAL A 1 136 ? -16.565 -61.802 -73.140 1.00 62.56 ? 136 VAL A CG2 1 ATOM 1039 N N . PRO A 1 137 ? -16.791 -66.420 -72.236 1.00 74.08 ? 137 PRO A N 1 ATOM 1040 C CA . PRO A 1 137 ? -16.469 -67.818 -72.532 1.00 77.81 ? 137 PRO A CA 1 ATOM 1041 C C . PRO A 1 137 ? -15.595 -67.929 -73.777 1.00 77.82 ? 137 PRO A C 1 ATOM 1042 O O . PRO A 1 137 ? -15.952 -67.403 -74.835 1.00 76.76 ? 137 PRO A O 1 ATOM 1043 C CB . PRO A 1 137 ? -17.843 -68.446 -72.779 1.00 80.82 ? 137 PRO A CB 1 ATOM 1044 C CG . PRO A 1 137 ? -18.761 -67.659 -71.928 1.00 79.44 ? 137 PRO A CG 1 ATOM 1045 C CD . PRO A 1 137 ? -18.226 -66.247 -71.928 1.00 74.95 ? 137 PRO A CD 1 ATOM 1046 N N . GLY A 1 138 ? -14.449 -68.590 -73.631 1.00 79.26 ? 138 GLY A N 1 ATOM 1047 C CA . GLY A 1 138 ? -13.452 -68.669 -74.695 1.00 79.59 ? 138 GLY A CA 1 ATOM 1048 C C . GLY A 1 138 ? -12.333 -67.657 -74.514 1.00 76.55 ? 138 GLY A C 1 ATOM 1049 O O . GLY A 1 138 ? -11.626 -67.326 -75.471 1.00 76.02 ? 138 GLY A O 1 ATOM 1050 N N . ALA A 1 139 ? -12.177 -67.164 -73.286 1.00 74.94 ? 139 ALA A N 1 ATOM 1051 C CA . ALA A 1 139 ? -11.089 -66.251 -72.937 1.00 72.53 ? 139 ALA A CA 1 ATOM 1052 C C . ALA A 1 139 ? -9.903 -67.049 -72.405 1.00 74.66 ? 139 ALA A C 1 ATOM 1053 O O . ALA A 1 139 ? -10.090 -68.160 -71.899 1.00 77.62 ? 139 ALA A O 1 ATOM 1054 C CB . ALA A 1 139 ? -11.552 -65.230 -71.901 1.00 69.81 ? 139 ALA A CB 1 ATOM 1055 N N . PRO A 1 140 ? -8.677 -66.497 -72.525 1.00 73.59 ? 140 PRO A N 1 ATOM 1056 C CA . PRO A 1 140 ? -7.522 -67.179 -71.941 1.00 75.60 ? 140 PRO A CA 1 ATOM 1057 C C . PRO A 1 140 ? -7.567 -67.142 -70.413 1.00 75.14 ? 140 PRO A C 1 ATOM 1058 O O . PRO A 1 140 ? -7.969 -66.129 -69.830 1.00 72.32 ? 140 PRO A O 1 ATOM 1059 C CB . PRO A 1 140 ? -6.330 -66.379 -72.474 1.00 74.45 ? 140 PRO A CB 1 ATOM 1060 C CG . PRO A 1 140 ? -6.873 -65.043 -72.806 1.00 71.02 ? 140 PRO A CG 1 ATOM 1061 C CD . PRO A 1 140 ? -8.286 -65.269 -73.245 1.00 70.97 ? 140 PRO A CD 1 ATOM 1062 N N . SER A 1 141 ? -7.156 -68.244 -69.786 1.00 78.07 ? 141 SER A N 1 ATOM 1063 C CA . SER A 1 141 ? -7.266 -68.415 -68.336 1.00 78.40 ? 141 SER A CA 1 ATOM 1064 C C . SER A 1 141 ? -6.328 -67.522 -67.521 1.00 76.50 ? 141 SER A C 1 ATOM 1065 O O . SER A 1 141 ? -6.480 -67.420 -66.302 1.00 76.42 ? 141 SER A O 1 ATOM 1066 C CB . SER A 1 141 ? -7.070 -69.887 -67.947 1.00 82.69 ? 141 SER A CB 1 ATOM 1067 O OG . SER A 1 141 ? -5.722 -70.289 -68.109 1.00 84.53 ? 141 SER A OG 1 ATOM 1068 N N . TRP A 1 142 ? -5.375 -66.871 -68.187 1.00 75.24 ? 142 TRP A N 1 ATOM 1069 C CA . TRP A 1 142 ? -4.462 -65.950 -67.503 1.00 73.72 ? 142 TRP A CA 1 ATOM 1070 C C . TRP A 1 142 ? -5.119 -64.623 -67.134 1.00 70.12 ? 142 TRP A C 1 ATOM 1071 O O . TRP A 1 142 ? -4.587 -63.872 -66.318 1.00 69.20 ? 142 TRP A O 1 ATOM 1072 C CB . TRP A 1 142 ? -3.171 -65.718 -68.306 1.00 74.43 ? 142 TRP A CB 1 ATOM 1073 C CG . TRP A 1 142 ? -3.339 -65.001 -69.627 1.00 72.89 ? 142 TRP A CG 1 ATOM 1074 C CD1 . TRP A 1 142 ? -3.412 -65.575 -70.864 1.00 74.29 ? 142 TRP A CD1 1 ATOM 1075 C CD2 . TRP A 1 142 ? -3.422 -63.582 -69.840 0.70 69.92 ? 142 TRP A CD2 1 ATOM 1076 N NE1 . TRP A 1 142 ? -3.550 -64.608 -71.831 0.70 72.16 ? 142 TRP A NE1 1 ATOM 1077 C CE2 . TRP A 1 142 ? -3.559 -63.377 -71.231 0.70 69.49 ? 142 TRP A CE2 1 ATOM 1078 C CE3 . TRP A 1 142 ? -3.402 -62.466 -68.991 0.70 67.93 ? 142 TRP A CE3 1 ATOM 1079 C CZ2 . TRP A 1 142 ? -3.676 -62.102 -71.795 0.70 66.93 ? 142 TRP A CZ2 1 ATOM 1080 C CZ3 . TRP A 1 142 ? -3.521 -61.195 -69.554 0.70 65.64 ? 142 TRP A CZ3 1 ATOM 1081 C CH2 . TRP A 1 142 ? -3.654 -61.027 -70.944 0.70 65.02 ? 142 TRP A CH2 1 ATOM 1082 N N . LEU A 1 143 ? -6.275 -64.342 -67.728 1.00 68.44 ? 143 LEU A N 1 ATOM 1083 C CA . LEU A 1 143 ? -6.974 -63.079 -67.493 1.00 65.45 ? 143 LEU A CA 1 ATOM 1084 C C . LEU A 1 143 ? -7.713 -63.008 -66.156 1.00 65.31 ? 143 LEU A C 1 ATOM 1085 O O . LEU A 1 143 ? -8.148 -61.928 -65.745 1.00 63.20 ? 143 LEU A O 1 ATOM 1086 C CB . LEU A 1 143 ? -7.942 -62.777 -68.639 1.00 64.13 ? 143 LEU A CB 1 ATOM 1087 C CG . LEU A 1 143 ? -7.385 -61.986 -69.821 0.70 62.80 ? 143 LEU A CG 1 ATOM 1088 C CD1 . LEU A 1 143 ? -8.299 -62.142 -71.012 0.70 62.63 ? 143 LEU A CD1 1 ATOM 1089 C CD2 . LEU A 1 143 ? -7.210 -60.510 -69.466 0.70 60.51 ? 143 LEU A CD2 1 ATOM 1090 N N . ASP A 1 144 ? -7.843 -64.150 -65.480 1.00 67.78 ? 144 ASP A N 1 ATOM 1091 C CA . ASP A 1 144 ? -8.607 -64.234 -64.232 1.00 68.25 ? 144 ASP A CA 1 ATOM 1092 C C . ASP A 1 144 ? -8.098 -63.277 -63.153 1.00 66.95 ? 144 ASP A C 1 ATOM 1093 O O . ASP A 1 144 ? -8.893 -62.564 -62.532 1.00 65.83 ? 144 ASP A O 1 ATOM 1094 C CB . ASP A 1 144 ? -8.654 -65.678 -63.711 1.00 71.77 ? 144 ASP A CB 1 ATOM 1095 C CG . ASP A 1 144 ? -9.418 -66.625 -64.645 1.00 73.68 ? 144 ASP A CG 1 ATOM 1096 O OD1 . ASP A 1 144 ? -10.272 -66.159 -65.440 1.00 71.81 ? 144 ASP A OD1 1 ATOM 1097 O OD2 . ASP A 1 144 ? -9.165 -67.849 -64.577 1.00 76.90 ? 144 ASP A OD2 1 ATOM 1098 N N . LEU A 1 145 ? -6.780 -63.247 -62.953 1.00 67.39 ? 145 LEU A N 1 ATOM 1099 C CA . LEU A 1 145 ? -6.161 -62.349 -61.965 1.00 66.57 ? 145 LEU A CA 1 ATOM 1100 C C . LEU A 1 145 ? -6.371 -60.847 -62.253 1.00 63.67 ? 145 LEU A C 1 ATOM 1101 O O . LEU A 1 145 ? -6.867 -60.134 -61.380 1.00 62.90 ? 145 LEU A O 1 ATOM 1102 C CB . LEU A 1 145 ? -4.674 -62.679 -61.755 1.00 68.19 ? 145 LEU A CB 1 ATOM 1103 N N . PRO A 1 146 ? -6.007 -60.359 -63.466 1.00 62.29 ? 146 PRO A N 1 ATOM 1104 C CA . PRO A 1 146 ? -6.188 -58.929 -63.760 1.00 59.87 ? 146 PRO A CA 1 ATOM 1105 C C . PRO A 1 146 ? -7.632 -58.449 -63.629 1.00 58.43 ? 146 PRO A C 1 ATOM 1106 O O . PRO A 1 146 ? -7.867 -57.278 -63.313 1.00 57.06 ? 146 PRO A O 1 ATOM 1107 C CB . PRO A 1 146 ? -5.731 -58.810 -65.214 1.00 59.30 ? 146 PRO A CB 1 ATOM 1108 C CG . PRO A 1 146 ? -4.750 -59.893 -65.372 1.00 61.79 ? 146 PRO A CG 1 ATOM 1109 C CD . PRO A 1 146 ? -5.284 -61.036 -64.559 1.00 63.33 ? 146 PRO A CD 1 ATOM 1110 N N . ILE A 1 147 ? -8.582 -59.350 -63.873 1.00 58.96 ? 147 ILE A N 1 ATOM 1111 C CA . ILE A 1 147 ? -9.997 -59.047 -63.684 1.00 58.15 ? 147 ILE A CA 1 ATOM 1112 C C . ILE A 1 147 ? -10.307 -58.895 -62.199 1.00 58.83 ? 147 ILE A C 1 ATOM 1113 O O . ILE A 1 147 ? -10.995 -57.952 -61.799 1.00 57.83 ? 147 ILE A O 1 ATOM 1114 C CB . ILE A 1 147 ? -10.903 -60.110 -64.358 1.00 59.31 ? 147 ILE A CB 1 ATOM 1115 C CG1 . ILE A 1 147 ? -10.858 -59.965 -65.890 1.00 58.31 ? 147 ILE A CG1 1 ATOM 1116 C CG2 . ILE A 1 147 ? -12.343 -60.044 -63.836 1.00 59.76 ? 147 ILE A CG2 1 ATOM 1117 C CD1 . ILE A 1 147 ? -11.095 -58.556 -66.426 1.00 55.62 ? 147 ILE A CD1 1 ATOM 1118 N N . LYS A 1 148 ? -9.773 -59.810 -61.388 1.00 60.70 ? 148 LYS A N 1 ATOM 1119 C CA . LYS A 1 148 ? -9.907 -59.729 -59.930 1.00 61.67 ? 148 LYS A CA 1 ATOM 1120 C C . LYS A 1 148 ? -9.312 -58.436 -59.378 1.00 60.30 ? 148 LYS A C 1 ATOM 1121 O O . LYS A 1 148 ? -9.801 -57.907 -58.387 1.00 60.67 ? 148 LYS A O 1 ATOM 1122 C CB . LYS A 1 148 ? -9.267 -60.942 -59.247 1.00 64.16 ? 148 LYS A CB 1 ATOM 1123 N N . VAL A 1 149 ? -8.271 -57.931 -60.034 1.00 59.17 ? 149 VAL A N 1 ATOM 1124 C CA . VAL A 1 149 ? -7.611 -56.695 -59.621 1.00 58.47 ? 149 VAL A CA 1 ATOM 1125 C C . VAL A 1 149 ? -8.488 -55.481 -59.928 1.00 56.86 ? 149 VAL A C 1 ATOM 1126 O O . VAL A 1 149 ? -8.619 -54.574 -59.099 1.00 57.02 ? 149 VAL A O 1 ATOM 1127 C CB . VAL A 1 149 ? -6.212 -56.539 -60.280 1.00 58.39 ? 149 VAL A CB 1 ATOM 1128 C CG1 . VAL A 1 149 ? -5.553 -55.238 -59.864 1.00 57.99 ? 149 VAL A CG1 1 ATOM 1129 C CG2 . VAL A 1 149 ? -5.312 -57.697 -59.900 1.00 60.60 ? 149 VAL A CG2 1 ATOM 1130 N N . LEU A 1 150 ? -9.093 -55.478 -61.112 1.00 55.66 ? 150 LEU A N 1 ATOM 1131 C CA . LEU A 1 150 ? -9.920 -54.356 -61.557 1.00 54.18 ? 150 LEU A CA 1 ATOM 1132 C C . LEU A 1 150 ? -11.263 -54.289 -60.831 1.00 54.73 ? 150 LEU A C 1 ATOM 1133 O O . LEU A 1 150 ? -11.766 -53.198 -60.554 1.00 54.47 ? 150 LEU A O 1 ATOM 1134 C CB . LEU A 1 150 ? -10.134 -54.407 -63.073 1.00 52.91 ? 150 LEU A CB 1 ATOM 1135 C CG . LEU A 1 150 ? -8.902 -54.254 -63.971 1.00 52.40 ? 150 LEU A CG 1 ATOM 1136 C CD1 . LEU A 1 150 ? -9.173 -54.859 -65.339 1.00 52.18 ? 150 LEU A CD1 1 ATOM 1137 C CD2 . LEU A 1 150 ? -8.453 -52.798 -64.095 1.00 51.22 ? 150 LEU A CD2 1 ATOM 1138 N N . ASN A 1 151 ? -11.832 -55.454 -60.522 1.00 56.03 ? 151 ASN A N 1 ATOM 1139 C CA . ASN A 1 151 ? -13.123 -55.538 -59.832 1.00 57.06 ? 151 ASN A CA 1 ATOM 1140 C C . ASN A 1 151 ? -13.081 -55.020 -58.393 1.00 58.16 ? 151 ASN A C 1 ATOM 1141 O O . ASN A 1 151 ? -14.107 -54.613 -57.837 1.00 58.96 ? 151 ASN A O 1 ATOM 1142 C CB . ASN A 1 151 ? -13.664 -56.971 -59.872 1.00 58.74 ? 151 ASN A CB 1 ATOM 1143 C CG . ASN A 1 151 ? -14.215 -57.353 -61.241 1.00 58.20 ? 151 ASN A CG 1 ATOM 1144 O OD1 . ASN A 1 151 ? -14.545 -56.491 -62.059 1.00 56.45 ? 151 ASN A OD1 1 ATOM 1145 N ND2 . ASN A 1 151 ? -14.325 -58.654 -61.490 1.00 60.01 ? 151 ASN A ND2 1 ATOM 1146 N N . ALA A 1 152 ? -11.886 -55.030 -57.807 1.00 58.40 ? 152 ALA A N 1 ATOM 1147 C CA . ALA A 1 152 ? -11.656 -54.482 -56.477 1.00 59.46 ? 152 ALA A CA 1 ATOM 1148 C C . ALA A 1 152 ? -11.959 -52.981 -56.402 1.00 58.64 ? 152 ALA A C 1 ATOM 1149 O O . ALA A 1 152 ? -12.250 -52.461 -55.327 1.00 60.04 ? 152 ALA A O 1 ATOM 1150 C CB . ALA A 1 152 ? -10.229 -54.760 -56.043 1.00 60.07 ? 152 ALA A CB 1 ATOM 1151 N N . ASP A 1 153 ? -11.893 -52.295 -57.542 1.00 56.74 ? 153 ASP A N 1 ATOM 1152 C CA . ASP A 1 153 ? -12.182 -50.869 -57.598 1.00 56.24 ? 153 ASP A CA 1 ATOM 1153 C C . ASP A 1 153 ? -13.681 -50.613 -57.529 1.00 56.81 ? 153 ASP A C 1 ATOM 1154 O O . ASP A 1 153 ? -14.394 -50.763 -58.522 1.00 56.10 ? 153 ASP A O 1 ATOM 1155 C CB . ASP A 1 153 ? -11.595 -50.237 -58.866 1.00 54.47 ? 153 ASP A CB 1 ATOM 1156 C CG . ASP A 1 153 ? -11.593 -48.706 -58.820 1.00 54.34 ? 153 ASP A CG 1 ATOM 1157 O OD1 . ASP A 1 153 ? -12.219 -48.114 -57.920 1.00 55.66 ? 153 ASP A OD1 1 ATOM 1158 O OD2 . ASP A 1 153 ? -10.957 -48.083 -59.693 1.00 53.48 ? 153 ASP A OD2 1 ATOM 1159 N N . GLN A 1 154 ? -14.152 -50.220 -56.350 1.00 58.66 ? 154 GLN A N 1 ATOM 1160 C CA . GLN A 1 154 ? -15.551 -49.844 -56.166 1.00 59.62 ? 154 GLN A CA 1 ATOM 1161 C C . GLN A 1 154 ? -15.869 -48.542 -56.903 1.00 58.64 ? 154 GLN A C 1 ATOM 1162 O O . GLN A 1 154 ? -16.966 -48.377 -57.435 1.00 58.80 ? 154 GLN A O 1 ATOM 1163 C CB . GLN A 1 154 ? -15.882 -49.710 -54.677 1.00 62.12 ? 154 GLN A CB 1 ATOM 1164 N N . GLY A 1 155 ? -14.896 -47.632 -56.938 1.00 58.04 ? 155 GLY A N 1 ATOM 1165 C CA . GLY A 1 155 ? -15.069 -46.309 -57.538 1.00 57.45 ? 155 GLY A CA 1 ATOM 1166 C C . GLY A 1 155 ? -15.339 -46.328 -59.030 1.00 55.49 ? 155 GLY A C 1 ATOM 1167 O O . GLY A 1 155 ? -16.234 -45.627 -59.506 1.00 55.65 ? 155 GLY A O 1 ATOM 1168 N N . THR A 1 156 ? -14.563 -47.123 -59.767 1.00 53.92 ? 156 THR A N 1 ATOM 1169 C CA . THR A 1 156 ? -14.718 -47.221 -61.219 1.00 52.17 ? 156 THR A CA 1 ATOM 1170 C C . THR A 1 156 ? -16.039 -47.897 -61.554 1.00 52.22 ? 156 THR A C 1 ATOM 1171 O O . THR A 1 156 ? -16.844 -47.349 -62.313 1.00 51.99 ? 156 THR A O 1 ATOM 1172 C CB . THR A 1 156 ? -13.527 -47.948 -61.894 1.00 51.08 ? 156 THR A CB 1 ATOM 1173 O OG1 . THR A 1 156 ? -12.343 -47.152 -61.757 1.00 51.47 ? 156 THR A OG1 1 ATOM 1174 C CG2 . THR A 1 156 ? -13.789 -48.170 -63.377 1.00 49.50 ? 156 THR A CG2 1 ATOM 1175 N N . SER A 1 157 ? -16.262 -49.072 -60.966 1.00 52.83 ? 157 SER A N 1 ATOM 1176 C CA . SER A 1 157 ? -17.522 -49.800 -61.109 1.00 53.37 ? 157 SER A CA 1 ATOM 1177 C C . SER A 1 157 ? -18.725 -48.864 -61.009 1.00 54.17 ? 157 SER A C 1 ATOM 1178 O O . SER A 1 157 ? -19.616 -48.907 -61.852 1.00 54.12 ? 157 SER A O 1 ATOM 1179 C CB . SER A 1 157 ? -17.623 -50.904 -60.056 1.00 54.99 ? 157 SER A CB 1 ATOM 1180 O OG . SER A 1 157 ? -18.913 -51.487 -60.054 1.00 56.21 ? 157 SER A OG 1 ATOM 1181 N N . ALA A 1 158 ? -18.726 -48.009 -59.988 1.00 55.17 ? 158 ALA A N 1 ATOM 1182 C CA . ALA A 1 158 ? -19.783 -47.021 -59.786 1.00 56.40 ? 158 ALA A CA 1 ATOM 1183 C C . ALA A 1 158 ? -19.968 -46.101 -60.990 1.00 55.16 ? 158 ALA A C 1 ATOM 1184 O O . ALA A 1 158 ? -21.096 -45.858 -61.417 1.00 56.11 ? 158 ALA A O 1 ATOM 1185 C CB . ALA A 1 158 ? -19.506 -46.201 -58.538 1.00 57.95 ? 158 ALA A CB 1 ATOM 1186 N N . THR A 1 159 ? -18.858 -45.605 -61.536 1.00 53.38 ? 159 THR A N 1 ATOM 1187 C CA . THR A 1 159 ? -18.887 -44.649 -62.646 1.00 52.27 ? 159 THR A CA 1 ATOM 1188 C C . THR A 1 159 ? -19.301 -45.314 -63.964 1.00 51.01 ? 159 THR A C 1 ATOM 1189 O O . THR A 1 159 ? -20.077 -44.745 -64.738 1.00 51.11 ? 159 THR A O 1 ATOM 1190 C CB . THR A 1 159 ? -17.528 -43.912 -62.791 1.00 51.52 ? 159 THR A CB 1 ATOM 1191 O OG1 . THR A 1 159 ? -17.148 -43.348 -61.527 1.00 52.65 ? 159 THR A OG1 1 ATOM 1192 C CG2 . THR A 1 159 ? -17.612 -42.794 -63.830 1.00 51.04 ? 159 THR A CG2 1 ATOM 1193 N N . VAL A 1 160 ? -18.789 -46.520 -64.204 1.00 50.03 ? 160 VAL A N 1 ATOM 1194 C CA . VAL A 1 160 ? -19.142 -47.306 -65.393 1.00 49.17 ? 160 VAL A CA 1 ATOM 1195 C C . VAL A 1 160 ? -20.642 -47.622 -65.417 1.00 50.68 ? 160 VAL A C 1 ATOM 1196 O O . VAL A 1 160 ? -21.301 -47.464 -66.450 1.00 50.48 ? 160 VAL A O 1 ATOM 1197 C CB . VAL A 1 160 ? -18.307 -48.609 -65.486 1.00 48.31 ? 160 VAL A CB 1 ATOM 1198 C CG1 . VAL A 1 160 ? -18.818 -49.505 -66.587 1.00 48.05 ? 160 VAL A CG1 1 ATOM 1199 C CG2 . VAL A 1 160 ? -16.851 -48.285 -65.735 1.00 47.14 ? 160 VAL A CG2 1 ATOM 1200 N N . GLN A 1 161 ? -21.168 -48.049 -64.271 1.00 52.46 ? 161 GLN A N 1 ATOM 1201 C CA . GLN A 1 161 ? -22.586 -48.363 -64.127 1.00 54.66 ? 161 GLN A CA 1 ATOM 1202 C C . GLN A 1 161 ? -23.463 -47.151 -64.420 1.00 55.75 ? 161 GLN A C 1 ATOM 1203 O O . GLN A 1 161 ? -24.443 -47.261 -65.154 1.00 56.49 ? 161 GLN A O 1 ATOM 1204 C CB . GLN A 1 161 ? -22.882 -48.910 -62.730 1.00 56.57 ? 161 GLN A CB 1 ATOM 1205 C CG . GLN A 1 161 ? -22.466 -50.354 -62.527 1.00 56.60 ? 161 GLN A CG 1 ATOM 1206 C CD . GLN A 1 161 ? -22.639 -50.814 -61.094 1.00 58.93 ? 161 GLN A CD 1 ATOM 1207 O OE1 . GLN A 1 161 ? -23.754 -50.880 -60.578 1.00 61.60 ? 161 GLN A OE1 1 ATOM 1208 N NE2 . GLN A 1 161 ? -21.532 -51.141 -60.443 1.00 58.42 ? 161 GLN A NE2 1 ATOM 1209 N N . MET A 1 162 ? -23.094 -46.001 -63.856 1.00 56.27 ? 162 MET A N 1 ATOM 1210 C CA . MET A 1 162 ? -23.813 -44.742 -64.078 1.00 57.76 ? 162 MET A CA 1 ATOM 1211 C C . MET A 1 162 ? -23.875 -44.378 -65.563 1.00 56.58 ? 162 MET A C 1 ATOM 1212 O O . MET A 1 162 ? -24.904 -43.916 -66.051 1.00 57.95 ? 162 MET A O 1 ATOM 1213 C CB . MET A 1 162 ? -23.179 -43.604 -63.268 1.00 58.32 ? 162 MET A CB 1 ATOM 1214 C CG . MET A 1 162 ? -23.881 -42.256 -63.422 1.00 60.76 ? 162 MET A CG 1 ATOM 1215 S SD . MET A 1 162 ? -23.303 -40.985 -62.276 1.00 65.11 ? 162 MET A SD 1 ATOM 1216 N N . LEU A 1 163 ? -22.771 -44.599 -66.272 1.00 54.51 ? 163 LEU A N 1 ATOM 1217 C CA . LEU A 1 163 ? -22.694 -44.317 -67.701 1.00 53.52 ? 163 LEU A CA 1 ATOM 1218 C C . LEU A 1 163 ? -23.519 -45.293 -68.527 1.00 53.81 ? 163 LEU A C 1 ATOM 1219 O O . LEU A 1 163 ? -24.327 -44.875 -69.356 1.00 54.54 ? 163 LEU A O 1 ATOM 1220 C CB . LEU A 1 163 ? -21.241 -44.331 -68.173 1.00 51.63 ? 163 LEU A CB 1 ATOM 1221 C CG . LEU A 1 163 ? -20.359 -43.169 -67.721 1.00 51.58 ? 163 LEU A CG 1 ATOM 1222 C CD1 . LEU A 1 163 ? -18.904 -43.588 -67.780 1.00 50.29 ? 163 LEU A CD1 1 ATOM 1223 C CD2 . LEU A 1 163 ? -20.607 -41.924 -68.566 1.00 51.93 ? 163 LEU A CD2 1 ATOM 1224 N N . LEU A 1 164 ? -23.311 -46.589 -68.294 1.00 53.59 ? 164 LEU A N 1 ATOM 1225 C CA . LEU A 1 164 ? -24.027 -47.637 -69.022 1.00 54.16 ? 164 LEU A CA 1 ATOM 1226 C C . LEU A 1 164 ? -25.520 -47.669 -68.688 1.00 56.75 ? 164 LEU A C 1 ATOM 1227 O O . LEU A 1 164 ? -26.351 -47.710 -69.593 1.00 57.69 ? 164 LEU A O 1 ATOM 1228 C CB . LEU A 1 164 ? -23.390 -49.012 -68.781 1.00 53.69 ? 164 LEU A CB 1 ATOM 1229 C CG . LEU A 1 164 ? -21.961 -49.276 -69.277 1.00 51.49 ? 164 LEU A CG 1 ATOM 1230 C CD1 . LEU A 1 164 ? -21.535 -50.687 -68.906 1.00 51.46 ? 164 LEU A CD1 1 ATOM 1231 C CD2 . LEU A 1 164 ? -21.807 -49.052 -70.781 1.00 50.23 ? 164 LEU A CD2 1 ATOM 1232 N N . ASN A 1 165 ? -25.858 -47.640 -67.400 1.00 58.22 ? 165 ASN A N 1 ATOM 1233 C CA . ASN A 1 165 ? -27.262 -47.663 -66.977 1.00 61.21 ? 165 ASN A CA 1 ATOM 1234 C C . ASN A 1 165 ? -28.044 -46.387 -67.278 1.00 62.48 ? 165 ASN A C 1 ATOM 1235 O O . ASN A 1 165 ? -29.192 -46.450 -67.728 1.00 64.49 ? 165 ASN A O 1 ATOM 1236 C CB . ASN A 1 165 ? -27.382 -47.985 -65.485 1.00 62.76 ? 165 ASN A CB 1 ATOM 1237 C CG . ASN A 1 165 ? -27.126 -49.446 -65.175 1.00 63.03 ? 165 ASN A CG 1 ATOM 1238 O OD1 . ASN A 1 165 ? -26.868 -50.259 -66.069 1.00 62.12 ? 165 ASN A OD1 1 ATOM 1239 N ND2 . ASN A 1 165 ? -27.200 -49.787 -63.891 1.00 64.38 ? 165 ASN A ND2 1 ATOM 1240 N N . ASP A 1 166 ? -27.421 -45.235 -67.035 1.00 61.69 ? 166 ASP A N 1 ATOM 1241 C CA . ASP A 1 166 ? -28.150 -43.967 -67.014 1.00 63.52 ? 166 ASP A CA 1 ATOM 1242 C C . ASP A 1 166 ? -27.686 -42.927 -68.042 1.00 62.21 ? 166 ASP A C 1 ATOM 1243 O O . ASP A 1 166 ? -28.512 -42.377 -68.774 1.00 63.69 ? 166 ASP A O 1 ATOM 1244 C CB . ASP A 1 166 ? -28.149 -43.374 -65.596 1.00 65.08 ? 166 ASP A CB 1 ATOM 1245 C CG . ASP A 1 166 ? -28.829 -44.285 -64.568 1.00 67.42 ? 166 ASP A CG 1 ATOM 1246 O OD1 . ASP A 1 166 ? -29.876 -44.890 -64.890 1.00 69.69 ? 166 ASP A OD1 1 ATOM 1247 O OD2 . ASP A 1 166 ? -28.325 -44.387 -63.428 1.00 67.31 ? 166 ASP A OD2 1 ATOM 1248 N N . THR A 1 167 ? -26.382 -42.664 -68.104 1.00 59.87 ? 167 THR A N 1 ATOM 1249 C CA . THR A 1 167 ? -25.850 -41.576 -68.938 1.00 59.00 ? 167 THR A CA 1 ATOM 1250 C C . THR A 1 167 ? -25.920 -41.831 -70.454 1.00 58.08 ? 167 THR A C 1 ATOM 1251 O O . THR A 1 167 ? -26.377 -40.960 -71.198 1.00 59.09 ? 167 THR A O 1 ATOM 1252 C CB . THR A 1 167 ? -24.416 -41.183 -68.520 1.00 57.39 ? 167 THR A CB 1 ATOM 1253 O OG1 . THR A 1 167 ? -24.366 -41.025 -67.099 1.00 58.53 ? 167 THR A OG1 1 ATOM 1254 C CG2 . THR A 1 167 ? -23.991 -39.876 -69.180 1.00 57.42 ? 167 THR A CG2 1 ATOM 1255 N N . CYS A 1 168 ? -25.475 -43.009 -70.904 1.00 56.46 ? 168 CYS A N 1 ATOM 1256 C CA . CYS A 1 168 ? -25.518 -43.373 -72.333 1.00 55.68 ? 168 CYS A CA 1 ATOM 1257 C C . CYS A 1 168 ? -26.908 -43.158 -72.951 1.00 57.43 ? 168 CYS A C 1 ATOM 1258 O O . CYS A 1 168 ? -27.013 -42.500 -73.986 1.00 57.38 ? 168 CYS A O 1 ATOM 1259 C CB . CYS A 1 168 ? -25.032 -44.814 -72.576 1.00 54.59 ? 168 CYS A CB 1 ATOM 1260 S SG . CYS A 1 168 ? -24.618 -45.233 -74.314 1.00 54.21 ? 168 CYS A SG 1 ATOM 1261 N N . PRO A 1 169 ? -27.973 -43.705 -72.319 1.00 59.15 ? 169 PRO A N 1 ATOM 1262 C CA . PRO A 1 169 ? -29.317 -43.514 -72.863 1.00 61.46 ? 169 PRO A CA 1 ATOM 1263 C C . PRO A 1 169 ? -29.811 -42.072 -72.770 1.00 62.97 ? 169 PRO A C 1 ATOM 1264 O O . PRO A 1 169 ? -30.495 -41.607 -73.681 1.00 64.28 ? 169 PRO A O 1 ATOM 1265 C CB . PRO A 1 169 ? -30.189 -44.425 -71.988 1.00 63.44 ? 169 PRO A CB 1 ATOM 1266 C CG . PRO A 1 169 ? -29.246 -45.378 -71.356 1.00 61.76 ? 169 PRO A CG 1 ATOM 1267 C CD . PRO A 1 169 ? -27.999 -44.599 -71.147 1.00 59.50 ? 169 PRO A CD 1 ATOM 1268 N N . LEU A 1 170 ? -29.466 -41.377 -71.688 1.00 63.13 ? 170 LEU A N 1 ATOM 1269 C CA . LEU A 1 170 ? -29.896 -39.988 -71.495 1.00 65.09 ? 170 LEU A CA 1 ATOM 1270 C C . LEU A 1 170 ? -29.270 -39.061 -72.534 1.00 64.00 ? 170 LEU A C 1 ATOM 1271 O O . LEU A 1 170 ? -29.907 -38.113 -72.998 1.00 66.02 ? 170 LEU A O 1 ATOM 1272 C CB . LEU A 1 170 ? -29.579 -39.500 -70.076 1.00 65.72 ? 170 LEU A CB 1 ATOM 1273 N N . PHE A 1 171 ? -28.027 -39.356 -72.904 1.00 61.13 ? 171 PHE A N 1 ATOM 1274 C CA . PHE A 1 171 ? -27.296 -38.557 -73.875 1.00 60.26 ? 171 PHE A CA 1 ATOM 1275 C C . PHE A 1 171 ? -27.799 -38.773 -75.304 1.00 60.49 ? 171 PHE A C 1 ATOM 1276 O O . PHE A 1 171 ? -28.045 -37.802 -76.023 1.00 61.89 ? 171 PHE A O 1 ATOM 1277 C CB . PHE A 1 171 ? -25.789 -38.830 -73.771 1.00 57.73 ? 171 PHE A CB 1 ATOM 1278 C CG . PHE A 1 171 ? -24.950 -38.001 -74.706 1.00 57.19 ? 171 PHE A CG 1 ATOM 1279 C CD1 . PHE A 1 171 ? -25.013 -36.611 -74.680 1.00 59.02 ? 171 PHE A CD1 1 ATOM 1280 C CD2 . PHE A 1 171 ? -24.085 -38.611 -75.603 1.00 55.18 ? 171 PHE A CD2 1 ATOM 1281 C CE1 . PHE A 1 171 ? -24.237 -35.841 -75.543 1.00 58.93 ? 171 PHE A CE1 1 ATOM 1282 C CE2 . PHE A 1 171 ? -23.303 -37.850 -76.466 1.00 55.37 ? 171 PHE A CE2 1 ATOM 1283 C CZ . PHE A 1 171 ? -23.382 -36.461 -76.437 1.00 56.97 ? 171 PHE A CZ 1 ATOM 1284 N N . VAL A 1 172 ? -27.960 -40.039 -75.695 1.00 59.46 ? 172 VAL A N 1 ATOM 1285 C CA . VAL A 1 172 ? -28.376 -40.414 -77.056 1.00 59.56 ? 172 VAL A CA 1 ATOM 1286 C C . VAL A 1 172 ? -29.743 -39.838 -77.437 1.00 62.35 ? 172 VAL A C 1 ATOM 1287 O O . VAL A 1 172 ? -29.917 -39.314 -78.545 1.00 63.08 ? 172 VAL A O 1 ATOM 1288 C CB . VAL A 1 172 ? -28.385 -41.945 -77.251 1.00 58.61 ? 172 VAL A CB 1 ATOM 1289 C CG1 . VAL A 1 172 ? -28.733 -42.304 -78.690 1.00 59.13 ? 172 VAL A CG1 1 ATOM 1290 C CG2 . VAL A 1 172 ? -27.036 -42.525 -76.892 1.00 56.20 ? 172 VAL A CG2 1 ATOM 1291 N N . ARG A 1 173 ? -30.701 -39.934 -76.515 1.00 64.06 ? 173 ARG A N 1 ATOM 1292 C CA . ARG A 1 173 ? -32.017 -39.325 -76.691 1.00 67.02 ? 173 ARG A CA 1 ATOM 1293 C C . ARG A 1 173 ? -31.863 -37.860 -77.084 1.00 67.83 ? 173 ARG A C 1 ATOM 1294 O O . ARG A 1 173 ? -32.612 -37.356 -77.921 1.00 69.96 ? 173 ARG A O 1 ATOM 1295 C CB . ARG A 1 173 ? -32.849 -39.453 -75.413 1.00 69.06 ? 173 ARG A CB 1 ATOM 1296 N N . GLY A 1 174 ? -30.872 -37.196 -76.488 1.00 66.44 ? 174 GLY A N 1 ATOM 1297 C CA . GLY A 1 174 ? -30.545 -35.806 -76.805 1.00 67.29 ? 174 GLY A CA 1 ATOM 1298 C C . GLY A 1 174 ? -29.962 -35.630 -78.195 1.00 66.21 ? 174 GLY A C 1 ATOM 1299 O O . GLY A 1 174 ? -30.300 -34.676 -78.895 1.00 68.18 ? 174 GLY A O 1 ATOM 1300 N N . LEU A 1 175 ? -29.089 -36.552 -78.596 1.00 63.36 ? 175 LEU A N 1 ATOM 1301 C CA . LEU A 1 175 ? -28.474 -36.516 -79.924 1.00 62.34 ? 175 LEU A CA 1 ATOM 1302 C C . LEU A 1 175 ? -29.483 -36.770 -81.043 1.00 63.92 ? 175 LEU A C 1 ATOM 1303 O O . LEU A 1 175 ? -29.383 -36.181 -82.121 1.00 64.81 ? 175 LEU A O 1 ATOM 1304 C CB . LEU A 1 175 ? -27.334 -37.535 -80.026 1.00 59.31 ? 175 LEU A CB 1 ATOM 1305 C CG . LEU A 1 175 ? -25.953 -37.236 -79.441 1.00 57.23 ? 175 LEU A CG 1 ATOM 1306 C CD1 . LEU A 1 175 ? -25.085 -38.473 -79.581 1.00 54.49 ? 175 LEU A CD1 1 ATOM 1307 C CD2 . LEU A 1 175 ? -25.289 -36.041 -80.116 1.00 57.62 ? 175 LEU A CD2 1 ATOM 1308 N N . LEU A 1 176 ? -30.448 -37.650 -80.782 1.00 64.52 ? 176 LEU A N 1 ATOM 1309 C CA . LEU A 1 176 ? -31.455 -38.013 -81.777 1.00 66.28 ? 176 LEU A CA 1 ATOM 1310 C C . LEU A 1 176 ? -32.441 -36.882 -82.079 1.00 69.54 ? 176 LEU A C 1 ATOM 1311 O O . LEU A 1 176 ? -32.977 -36.806 -83.185 1.00 71.08 ? 176 LEU A O 1 ATOM 1312 C CB . LEU A 1 176 ? -32.199 -39.286 -81.358 1.00 66.57 ? 176 LEU A CB 1 ATOM 1313 C CG . LEU A 1 176 ? -31.456 -40.618 -81.519 1.00 64.05 ? 176 LEU A CG 1 ATOM 1314 C CD1 . LEU A 1 176 ? -32.112 -41.703 -80.678 1.00 64.68 ? 176 LEU A CD1 1 ATOM 1315 C CD2 . LEU A 1 176 ? -31.370 -41.052 -82.986 1.00 64.10 ? 176 LEU A CD2 1 ATOM 1316 N N . GLU A 1 177 ? -32.677 -36.012 -81.099 1.00 70.87 ? 177 GLU A N 1 ATOM 1317 C CA . GLU A 1 177 ? -33.525 -34.835 -81.303 1.00 74.31 ? 177 GLU A CA 1 ATOM 1318 C C . GLU A 1 177 ? -32.715 -33.641 -81.813 1.00 74.40 ? 177 GLU A C 1 ATOM 1319 O O . GLU A 1 177 ? -33.226 -32.822 -82.582 1.00 77.06 ? 177 GLU A O 1 ATOM 1320 C CB . GLU A 1 177 ? -34.288 -34.468 -80.024 1.00 76.42 ? 177 GLU A CB 1 ATOM 1321 N N . ALA A 1 178 ? -31.454 -33.553 -81.387 1.00 71.83 ? 178 ALA A N 1 ATOM 1322 C CA . ALA A 1 178 ? -30.548 -32.496 -81.840 1.00 71.95 ? 178 ALA A CA 1 ATOM 1323 C C . ALA A 1 178 ? -30.072 -32.743 -83.267 1.00 71.13 ? 178 ALA A C 1 ATOM 1324 O O . ALA A 1 178 ? -29.867 -31.799 -84.031 1.00 72.77 ? 178 ALA A O 1 ATOM 1325 C CB . ALA A 1 178 ? -29.359 -32.371 -80.903 1.00 69.96 ? 178 ALA A CB 1 ATOM 1326 N N . GLY A 1 179 ? -29.898 -34.017 -83.613 1.00 68.91 ? 179 GLY A N 1 ATOM 1327 C CA . GLY A 1 179 ? -29.440 -34.408 -84.941 1.00 68.18 ? 179 GLY A CA 1 ATOM 1328 C C . GLY A 1 179 ? -30.545 -34.936 -85.831 1.00 69.75 ? 179 GLY A C 1 ATOM 1329 O O . GLY A 1 179 ? -30.270 -35.488 -86.896 1.00 69.27 ? 179 GLY A O 1 ATOM 1330 N N . LYS A 1 180 ? -31.793 -34.761 -85.399 1.00 72.01 ? 180 LYS A N 1 ATOM 1331 C CA . LYS A 1 180 ? -32.961 -35.223 -86.154 1.00 74.09 ? 180 LYS A CA 1 ATOM 1332 C C . LYS A 1 180 ? -32.872 -34.825 -87.628 1.00 75.39 ? 180 LYS A C 1 ATOM 1333 O O . LYS A 1 180 ? -33.067 -35.659 -88.515 1.00 75.37 ? 180 LYS A O 1 ATOM 1334 C CB . LYS A 1 180 ? -34.252 -34.679 -85.532 1.00 77.20 ? 180 LYS A CB 1 ATOM 1335 N N . SER A 1 181 ? -32.552 -33.552 -87.864 1.00 76.74 ? 181 SER A N 1 ATOM 1336 C CA . SER A 1 181 ? -32.431 -32.972 -89.202 1.00 78.30 ? 181 SER A CA 1 ATOM 1337 C C . SER A 1 181 ? -31.429 -33.709 -90.099 1.00 76.05 ? 181 SER A C 1 ATOM 1338 O O . SER A 1 181 ? -31.750 -34.052 -91.236 1.00 77.19 ? 181 SER A O 1 ATOM 1339 C CB . SER A 1 181 ? -32.059 -31.489 -89.089 1.00 80.09 ? 181 SER A CB 1 ATOM 1340 O OG . SER A 1 181 ? -31.913 -30.889 -90.364 1.00 82.14 ? 181 SER A OG 1 ATOM 1341 N N . ASP A 1 182 ? -30.227 -33.947 -89.577 1.00 73.15 ? 182 ASP A N 1 ATOM 1342 C CA . ASP A 1 182 ? -29.146 -34.598 -90.327 1.00 71.24 ? 182 ASP A CA 1 ATOM 1343 C C . ASP A 1 182 ? -29.368 -36.089 -90.574 1.00 69.80 ? 182 ASP A C 1 ATOM 1344 O O . ASP A 1 182 ? -29.059 -36.597 -91.653 1.00 69.92 ? 182 ASP A O 1 ATOM 1345 C CB . ASP A 1 182 ? -27.803 -34.400 -89.615 1.00 69.05 ? 182 ASP A CB 1 ATOM 1346 C CG . ASP A 1 182 ? -26.985 -33.270 -90.202 1.00 70.28 ? 182 ASP A CG 1 ATOM 1347 O OD1 . ASP A 1 182 ? -27.087 -33.016 -91.420 1.00 72.35 ? 182 ASP A OD1 1 ATOM 1348 O OD2 . ASP A 1 182 ? -26.219 -32.644 -89.446 1.00 69.59 ? 182 ASP A OD2 1 ATOM 1349 N N . LEU A 1 183 ? -29.887 -36.785 -89.566 1.00 68.75 ? 183 LEU A N 1 ATOM 1350 C CA . LEU A 1 183 ? -30.111 -38.223 -89.657 1.00 67.77 ? 183 LEU A CA 1 ATOM 1351 C C . LEU A 1 183 ? -31.274 -38.568 -90.591 1.00 70.44 ? 183 LEU A C 1 ATOM 1352 O O . LEU A 1 183 ? -31.381 -39.703 -91.060 1.00 70.33 ? 183 LEU A O 1 ATOM 1353 C CB . LEU A 1 183 ? -30.335 -38.819 -88.264 1.00 66.30 ? 183 LEU A CB 1 ATOM 1354 N N . GLU A 1 184 ? -32.128 -37.581 -90.868 1.00 73.20 ? 184 GLU A N 1 ATOM 1355 C CA . GLU A 1 184 ? -33.293 -37.765 -91.740 1.00 76.26 ? 184 GLU A CA 1 ATOM 1356 C C . GLU A 1 184 ? -33.113 -37.175 -93.152 1.00 78.11 ? 184 GLU A C 1 ATOM 1357 O O . GLU A 1 184 ? -34.057 -37.151 -93.948 1.00 80.99 ? 184 GLU A O 1 ATOM 1358 C CB . GLU A 1 184 ? -34.550 -37.190 -91.074 1.00 78.66 ? 184 GLU A CB 1 ATOM 1359 N N . LYS A 1 185 ? -31.898 -36.716 -93.456 1.00 76.75 ? 185 LYS A N 1 ATOM 1360 C CA . LYS A 1 185 ? -31.591 -36.087 -94.744 1.00 78.57 ? 185 LYS A CA 1 ATOM 1361 C C . LYS A 1 185 ? -31.679 -37.073 -95.902 1.00 79.39 ? 185 LYS A C 1 ATOM 1362 O O . LYS A 1 185 ? -31.497 -38.282 -95.720 1.00 77.79 ? 185 LYS A O 1 ATOM 1363 C CB . LYS A 1 185 ? -30.201 -35.447 -94.712 1.00 77.07 ? 185 LYS A CB 1 ATOM 1364 N N . GLN A 1 186 ? -31.957 -36.545 -97.092 1.00 56.45 ? 186 GLN A N 1 ATOM 1365 C CA . GLN A 1 186 ? -32.095 -37.361 -98.300 1.00 55.09 ? 186 GLN A CA 1 ATOM 1366 C C . GLN A 1 186 ? -31.159 -36.898 -99.416 1.00 54.54 ? 186 GLN A C 1 ATOM 1367 O O . GLN A 1 186 ? -31.255 -35.760 -99.884 1.00 56.21 ? 186 GLN A O 1 ATOM 1368 C CB . GLN A 1 186 ? -33.548 -37.353 -98.789 1.00 56.77 ? 186 GLN A CB 1 ATOM 1369 C CG . GLN A 1 186 ? -34.538 -38.049 -97.854 1.00 57.26 ? 186 GLN A CG 1 ATOM 1370 C CD . GLN A 1 186 ? -34.372 -39.558 -97.840 1.00 54.65 ? 186 GLN A CD 1 ATOM 1371 O OE1 . GLN A 1 186 ? -33.925 -40.151 -98.817 1.00 53.39 ? 186 GLN A OE1 1 ATOM 1372 N NE2 . GLN A 1 186 ? -34.738 -40.185 -96.730 1.00 54.56 ? 186 GLN A NE2 1 ATOM 1373 N N . GLU A 1 187 ? -30.253 -37.783 -99.829 1.00 52.41 ? 187 GLU A N 1 ATOM 1374 C CA . GLU A 1 187 ? -29.346 -37.501 -100.945 1.00 52.00 ? 187 GLU A CA 1 ATOM 1375 C C . GLU A 1 187 ? -29.587 -38.459 -102.108 1.00 50.78 ? 187 GLU A C 1 ATOM 1376 O O . GLU A 1 187 ? -29.719 -39.664 -101.904 1.00 49.45 ? 187 GLU A O 1 ATOM 1377 C CB . GLU A 1 187 ? -27.883 -37.537 -100.491 1.00 50.76 ? 187 GLU A CB 1 ATOM 1378 C CG . GLU A 1 187 ? -27.486 -36.396 -99.544 1.00 52.86 ? 187 GLU A CG 1 ATOM 1379 C CD . GLU A 1 187 ? -27.708 -34.993 -100.134 1.00 55.61 ? 187 GLU A CD 1 ATOM 1380 O OE1 . GLU A 1 187 ? -28.266 -34.128 -99.424 1.00 57.37 ? 187 GLU A OE1 1 ATOM 1381 O OE2 . GLU A 1 187 ? -27.329 -34.755 -101.302 1.00 55.77 ? 187 GLU A OE2 1 ATOM 1382 N N . LYS A 1 188 ? -29.648 -37.910 -103.321 1.00 51.71 ? 188 LYS A N 1 ATOM 1383 C CA . LYS A 1 188 ? -29.991 -38.675 -104.524 1.00 51.10 ? 188 LYS A CA 1 ATOM 1384 C C . LYS A 1 188 ? -28.781 -39.384 -105.135 1.00 49.24 ? 188 LYS A C 1 ATOM 1385 O O . LYS A 1 188 ? -27.755 -38.750 -105.380 1.00 49.55 ? 188 LYS A O 1 ATOM 1386 C CB . LYS A 1 188 ? -30.654 -37.768 -105.566 1.00 53.29 ? 188 LYS A CB 1 ATOM 1387 N N . PRO A 1 189 ? -28.898 -40.706 -105.380 1.00 47.65 ? 189 PRO A N 1 ATOM 1388 C CA . PRO A 1 189 ? -27.810 -41.452 -106.010 1.00 46.04 ? 189 PRO A CA 1 ATOM 1389 C C . PRO A 1 189 ? -27.719 -41.210 -107.513 1.00 46.79 ? 189 PRO A C 1 ATOM 1390 O O . PRO A 1 189 ? -28.730 -40.989 -108.168 1.00 48.12 ? 189 PRO A O 1 ATOM 1391 C CB . PRO A 1 189 ? -28.184 -42.911 -105.740 1.00 44.38 ? 189 PRO A CB 1 ATOM 1392 C CG . PRO A 1 189 ? -29.644 -42.910 -105.599 1.00 45.56 ? 189 PRO A CG 1 ATOM 1393 C CD . PRO A 1 189 ? -30.012 -41.589 -104.989 1.00 47.44 ? 189 PRO A CD 1 ATOM 1394 N N . VAL A 1 190 ? -26.499 -41.251 -108.036 1.00 46.45 ? 190 VAL A N 1 ATOM 1395 C CA . VAL A 1 190 ? -26.242 -41.179 -109.472 1.00 47.28 ? 190 VAL A CA 1 ATOM 1396 C C . VAL A 1 190 ? -25.666 -42.529 -109.915 1.00 45.67 ? 190 VAL A C 1 ATOM 1397 O O . VAL A 1 190 ? -24.946 -43.181 -109.153 1.00 44.23 ? 190 VAL A O 1 ATOM 1398 C CB . VAL A 1 190 ? -25.253 -40.030 -109.806 1.00 48.51 ? 190 VAL A CB 1 ATOM 1399 C CG1 . VAL A 1 190 ? -25.037 -39.903 -111.309 1.00 49.48 ? 190 VAL A CG1 1 ATOM 1400 C CG2 . VAL A 1 190 ? -25.759 -38.713 -109.243 1.00 50.66 ? 190 VAL A CG2 1 ATOM 1401 N N . ALA A 1 191 ? -25.986 -42.955 -111.134 1.00 46.18 ? 191 ALA A N 1 ATOM 1402 C CA . ALA A 1 191 ? -25.483 -44.231 -111.630 1.00 45.07 ? 191 ALA A CA 1 ATOM 1403 C C . ALA A 1 191 ? -24.857 -44.181 -113.031 1.00 45.98 ? 191 ALA A C 1 ATOM 1404 O O . ALA A 1 191 ? -25.266 -43.391 -113.889 1.00 47.82 ? 191 ALA A O 1 ATOM 1405 C CB . ALA A 1 191 ? -26.577 -45.295 -111.557 1.00 44.55 ? 191 ALA A CB 1 ATOM 1406 N N . TRP A 1 192 ? -23.853 -45.030 -113.238 1.00 44.95 ? 192 TRP A N 1 ATOM 1407 C CA . TRP A 1 192 ? -23.243 -45.226 -114.550 1.00 45.72 ? 192 TRP A CA 1 ATOM 1408 C C . TRP A 1 192 ? -22.970 -46.717 -114.777 1.00 44.12 ? 192 TRP A C 1 ATOM 1409 O O . TRP A 1 192 ? -23.134 -47.522 -113.857 1.00 42.91 ? 192 TRP A O 1 ATOM 1410 C CB . TRP A 1 192 ? -21.975 -44.368 -114.710 1.00 46.86 ? 192 TRP A CB 1 ATOM 1411 C CG . TRP A 1 192 ? -20.804 -44.715 -113.803 1.00 46.76 ? 192 TRP A CG 1 ATOM 1412 C CD1 . TRP A 1 192 ? -19.755 -45.546 -114.096 1.00 46.69 ? 192 TRP A CD1 1 ATOM 1413 C CD2 . TRP A 1 192 ? -20.551 -44.210 -112.481 1.00 47.47 ? 192 TRP A CD2 1 ATOM 1414 N NE1 . TRP A 1 192 ? -18.877 -45.599 -113.038 1.00 46.26 ? 192 TRP A NE1 1 ATOM 1415 C CE2 . TRP A 1 192 ? -19.340 -44.789 -112.035 1.00 46.73 ? 192 TRP A CE2 1 ATOM 1416 C CE3 . TRP A 1 192 ? -21.239 -43.336 -111.625 1.00 48.13 ? 192 TRP A CE3 1 ATOM 1417 C CZ2 . TRP A 1 192 ? -18.802 -44.522 -110.771 1.00 47.01 ? 192 TRP A CZ2 1 ATOM 1418 C CZ3 . TRP A 1 192 ? -20.697 -43.065 -110.372 1.00 47.89 ? 192 TRP A CZ3 1 ATOM 1419 C CH2 . TRP A 1 192 ? -19.492 -43.658 -109.958 1.00 47.45 ? 192 TRP A CH2 1 ATOM 1420 N N . LEU A 1 193 ? -22.581 -47.087 -115.996 1.00 44.39 ? 193 LEU A N 1 ATOM 1421 C CA . LEU A 1 193 ? -22.329 -48.492 -116.330 1.00 43.02 ? 193 LEU A CA 1 ATOM 1422 C C . LEU A 1 193 ? -20.906 -48.732 -116.821 1.00 43.12 ? 193 LEU A C 1 ATOM 1423 O O . LEU A 1 193 ? -20.237 -47.804 -117.271 1.00 44.45 ? 193 LEU A O 1 ATOM 1424 C CB . LEU A 1 193 ? -23.329 -48.992 -117.381 1.00 43.46 ? 193 LEU A CB 1 ATOM 1425 C CG . LEU A 1 193 ? -24.822 -49.025 -117.045 1.00 43.23 ? 193 LEU A CG 1 ATOM 1426 C CD1 . LEU A 1 193 ? -25.606 -49.522 -118.231 1.00 43.97 ? 193 LEU A CD1 1 ATOM 1427 C CD2 . LEU A 1 193 ? -25.106 -49.891 -115.840 1.00 41.72 ? 193 LEU A CD2 1 ATOM 1428 N N . SER A 1 194 ? -20.454 -49.981 -116.715 1.00 41.93 ? 194 SER A N 1 ATOM 1429 C CA . SER A 1 194 ? -19.193 -50.430 -117.308 1.00 42.37 ? 194 SER A CA 1 ATOM 1430 C C . SER A 1 194 ? -19.130 -51.954 -117.383 1.00 41.59 ? 194 SER A C 1 ATOM 1431 O O . SER A 1 194 ? -20.030 -52.649 -116.910 1.00 40.64 ? 194 SER A O 1 ATOM 1432 C CB . SER A 1 194 ? -17.996 -49.904 -116.520 1.00 42.43 ? 194 SER A CB 1 ATOM 1433 O OG . SER A 1 194 ? -18.041 -50.359 -115.187 1.00 41.25 ? 194 SER A OG 1 ATOM 1434 N N . SER A 1 195 ? -18.066 -52.472 -117.985 1.00 42.29 ? 195 SER A N 1 ATOM 1435 C CA . SER A 1 195 ? -17.853 -53.912 -118.027 1.00 41.84 ? 195 SER A CA 1 ATOM 1436 C C . SER A 1 195 ? -16.378 -54.286 -117.882 1.00 42.33 ? 195 SER A C 1 ATOM 1437 O O . SER A 1 195 ? -15.491 -53.431 -117.939 1.00 43.41 ? 195 SER A O 1 ATOM 1438 C CB . SER A 1 195 ? -18.476 -54.539 -119.285 1.00 42.39 ? 195 SER A CB 1 ATOM 1439 O OG . SER A 1 195 ? -17.798 -54.146 -120.462 1.00 44.12 ? 195 SER A OG 1 ATOM 1440 N N . VAL A 1 196 ? -16.141 -55.581 -117.701 1.00 41.90 ? 196 VAL A N 1 ATOM 1441 C CA . VAL A 1 196 ? -14.847 -56.114 -117.309 1.00 42.23 ? 196 VAL A CA 1 ATOM 1442 C C . VAL A 1 196 ? -14.805 -57.587 -117.708 1.00 41.96 ? 196 VAL A C 1 ATOM 1443 O O . VAL A 1 196 ? -15.856 -58.223 -117.801 1.00 41.30 ? 196 VAL A O 1 ATOM 1444 C CB . VAL A 1 196 ? -14.636 -55.915 -115.776 1.00 41.66 ? 196 VAL A CB 1 ATOM 1445 C CG1 . VAL A 1 196 ? -14.246 -57.215 -115.058 1.00 41.37 ? 196 VAL A CG1 1 ATOM 1446 C CG2 . VAL A 1 196 ? -13.640 -54.796 -115.512 1.00 42.78 ? 196 VAL A CG2 1 ATOM 1447 N N . PRO A 1 197 ? -13.604 -58.130 -117.978 1.00 42.88 ? 197 PRO A N 1 ATOM 1448 C CA . PRO A 1 197 ? -13.536 -59.567 -118.267 1.00 42.95 ? 197 PRO A CA 1 ATOM 1449 C C . PRO A 1 197 ? -13.847 -60.413 -117.032 1.00 41.90 ? 197 PRO A C 1 ATOM 1450 O O . PRO A 1 197 ? -13.301 -60.170 -115.958 1.00 41.77 ? 197 PRO A O 1 ATOM 1451 C CB . PRO A 1 197 ? -12.080 -59.780 -118.707 1.00 44.52 ? 197 PRO A CB 1 ATOM 1452 C CG . PRO A 1 197 ? -11.554 -58.404 -119.027 1.00 45.63 ? 197 PRO A CG 1 ATOM 1453 C CD . PRO A 1 197 ? -12.297 -57.466 -118.137 1.00 44.32 ? 197 PRO A CD 1 ATOM 1454 N N . SER A 1 198 ? -14.733 -61.389 -117.188 1.00 41.37 ? 198 SER A N 1 ATOM 1455 C CA . SER A 1 198 ? -15.001 -62.355 -116.129 1.00 40.97 ? 198 SER A CA 1 ATOM 1456 C C . SER A 1 198 ? -13.811 -63.282 -115.902 1.00 42.17 ? 198 SER A C 1 ATOM 1457 O O . SER A 1 198 ? -12.953 -63.440 -116.777 1.00 43.33 ? 198 SER A O 1 ATOM 1458 C CB . SER A 1 198 ? -16.236 -63.188 -116.475 1.00 40.65 ? 198 SER A CB 1 ATOM 1459 O OG . SER A 1 198 ? -16.285 -64.397 -115.733 1.00 40.67 ? 198 SER A OG 1 ATOM 1460 N N . SER A 1 199 ? -13.771 -63.895 -114.721 1.00 42.07 ? 199 SER A N 1 ATOM 1461 C CA . SER A 1 199 ? -12.819 -64.960 -114.431 1.00 43.45 ? 199 SER A CA 1 ATOM 1462 C C . SER A 1 199 ? -12.957 -66.132 -115.419 1.00 44.22 ? 199 SER A C 1 ATOM 1463 O O . SER A 1 199 ? -11.977 -66.817 -115.718 1.00 45.46 ? 199 SER A O 1 ATOM 1464 C CB . SER A 1 199 ? -13.000 -65.446 -112.994 1.00 43.31 ? 199 SER A CB 1 ATOM 1465 N N . ALA A 1 200 ? -14.172 -66.330 -115.933 1.00 43.61 ? 200 ALA A N 1 ATOM 1466 C CA . ALA A 1 200 ? -14.471 -67.405 -116.882 1.00 44.73 ? 200 ALA A CA 1 ATOM 1467 C C . ALA A 1 200 ? -14.250 -66.993 -118.334 1.00 45.46 ? 200 ALA A C 1 ATOM 1468 O O . ALA A 1 200 ? -14.514 -65.846 -118.713 1.00 44.98 ? 200 ALA A O 1 ATOM 1469 C CB . ALA A 1 200 ? -15.889 -67.889 -116.696 1.00 43.91 ? 200 ALA A CB 1 ATOM 1470 N N . HIS A 1 201 ? -13.789 -67.949 -119.140 1.00 46.97 ? 201 HIS A N 1 ATOM 1471 C CA . HIS A 1 201 ? -13.504 -67.733 -120.557 1.00 47.96 ? 201 HIS A CA 1 ATOM 1472 C C . HIS A 1 201 ? -14.767 -67.435 -121.359 1.00 47.41 ? 201 HIS A C 1 ATOM 1473 O O . HIS A 1 201 ? -15.722 -68.215 -121.348 1.00 47.14 ? 201 HIS A O 1 ATOM 1474 C CB . HIS A 1 201 ? -12.784 -68.952 -121.139 1.00 49.81 ? 201 HIS A CB 1 ATOM 1475 C CG . HIS A 1 201 ? -12.605 -68.904 -122.626 1.00 51.06 ? 201 HIS A CG 1 ATOM 1476 N ND1 . HIS A 1 201 ? -11.483 -68.372 -123.223 1.00 52.29 ? 201 HIS A ND1 1 ATOM 1477 C CD2 . HIS A 1 201 ? -13.401 -69.333 -123.634 1.00 51.23 ? 201 HIS A CD2 1 ATOM 1478 C CE1 . HIS A 1 201 ? -11.597 -68.472 -124.535 1.00 53.20 ? 201 HIS A CE1 1 ATOM 1479 N NE2 . HIS A 1 201 ? -12.752 -69.050 -124.811 1.00 52.46 ? 201 HIS A NE2 1 ATOM 1480 N N . GLY A 1 202 ? -14.753 -66.300 -122.054 1.00 47.59 ? 202 GLY A N 1 ATOM 1481 C CA . GLY A 1 202 ? -15.849 -65.908 -122.942 1.00 47.53 ? 202 GLY A CA 1 ATOM 1482 C C . GLY A 1 202 ? -17.029 -65.268 -122.236 1.00 46.09 ? 202 GLY A C 1 ATOM 1483 O O . GLY A 1 202 ? -18.108 -65.129 -122.826 1.00 45.96 ? 202 GLY A O 1 ATOM 1484 N N . HIS A 1 203 ? -16.819 -64.891 -120.972 1.00 45.08 ? 203 HIS A N 1 ATOM 1485 C CA . HIS A 1 203 ? -17.831 -64.214 -120.159 1.00 43.87 ? 203 HIS A CA 1 ATOM 1486 C C . HIS A 1 203 ? -17.424 -62.771 -119.867 1.00 43.30 ? 203 HIS A C 1 ATOM 1487 O O . HIS A 1 203 ? -16.237 -62.455 -119.797 1.00 43.85 ? 203 HIS A O 1 ATOM 1488 C CB . HIS A 1 203 ? -18.048 -64.955 -118.839 1.00 43.29 ? 203 HIS A CB 1 ATOM 1489 C CG . HIS A 1 203 ? -18.787 -66.251 -118.973 1.00 44.41 ? 203 HIS A CG 1 ATOM 1490 N ND1 . HIS A 1 203 ? -18.258 -67.351 -119.615 1.00 46.36 ? 203 HIS A ND1 1 ATOM 1491 C CD2 . HIS A 1 203 ? -20.005 -66.633 -118.520 1.00 44.58 ? 203 HIS A CD2 1 ATOM 1492 C CE1 . HIS A 1 203 ? -19.123 -68.349 -119.565 1.00 46.64 ? 203 HIS A CE1 1 ATOM 1493 N NE2 . HIS A 1 203 ? -20.191 -67.939 -118.905 1.00 45.92 ? 203 HIS A NE2 1 ATOM 1494 N N . ARG A 1 204 ? -18.414 -61.899 -119.704 1.00 42.55 ? 204 ARG A N 1 ATOM 1495 C CA . ARG A 1 204 ? -18.172 -60.524 -119.264 1.00 42.05 ? 204 ARG A CA 1 ATOM 1496 C C . ARG A 1 204 ? -18.892 -60.267 -117.951 1.00 40.73 ? 204 ARG A C 1 ATOM 1497 O O . ARG A 1 204 ? -19.992 -60.765 -117.728 1.00 40.45 ? 204 ARG A O 1 ATOM 1498 C CB . ARG A 1 204 ? -18.644 -59.500 -120.306 1.00 42.72 ? 204 ARG A CB 1 ATOM 1499 C CG . ARG A 1 204 ? -17.890 -59.507 -121.634 1.00 44.44 ? 204 ARG A CG 1 ATOM 1500 C CD . ARG A 1 204 ? -16.480 -58.942 -121.525 1.00 45.32 ? 204 ARG A CD 1 ATOM 1501 N NE . ARG A 1 204 ? -16.472 -57.518 -121.193 1.00 45.90 ? 204 ARG A NE 1 ATOM 1502 C CZ . ARG A 1 204 ? -15.381 -56.754 -121.194 1.00 47.15 ? 204 ARG A CZ 1 ATOM 1503 N NH1 . ARG A 1 204 ? -14.196 -57.265 -121.521 1.00 48.17 ? 204 ARG A NH1 1 ATOM 1504 N NH2 . ARG A 1 204 ? -15.472 -55.471 -120.872 1.00 47.14 ? 204 ARG A NH2 1 ATOM 1505 N N . GLN A 1 205 ? -18.260 -59.489 -117.083 1.00 40.19 ? 205 GLN A N 1 ATOM 1506 C CA . GLN A 1 205 ? -18.903 -59.020 -115.871 1.00 39.09 ? 205 GLN A CA 1 ATOM 1507 C C . GLN A 1 205 ? -19.301 -57.549 -116.072 1.00 39.08 ? 205 GLN A C 1 ATOM 1508 O O . GLN A 1 205 ? -18.441 -56.695 -116.303 1.00 39.36 ? 205 GLN A O 1 ATOM 1509 C CB . GLN A 1 205 ? -17.961 -59.188 -114.677 1.00 38.79 ? 205 GLN A CB 1 ATOM 1510 C CG . GLN A 1 205 ? -18.644 -59.120 -113.320 1.00 38.18 ? 205 GLN A CG 1 ATOM 1511 C CD . GLN A 1 205 ? -17.670 -59.008 -112.157 1.00 38.47 ? 205 GLN A CD 1 ATOM 1512 O OE1 . GLN A 1 205 ? -16.489 -58.701 -112.333 1.00 39.27 ? 205 GLN A OE1 1 ATOM 1513 N NE2 . GLN A 1 205 ? -18.170 -59.247 -110.954 1.00 38.60 ? 205 GLN A NE2 1 ATOM 1514 N N . LEU A 1 206 ? -20.605 -57.277 -116.022 1.00 38.71 ? 206 LEU A N 1 ATOM 1515 C CA . LEU A 1 206 ? -21.126 -55.916 -116.133 1.00 38.99 ? 206 LEU A CA 1 ATOM 1516 C C . LEU A 1 206 ? -21.170 -55.291 -114.758 1.00 38.47 ? 206 LEU A C 1 ATOM 1517 O O . LEU A 1 206 ? -21.419 -55.982 -113.772 1.00 37.90 ? 206 LEU A O 1 ATOM 1518 C CB . LEU A 1 206 ? -22.536 -55.899 -116.727 1.00 39.37 ? 206 LEU A CB 1 ATOM 1519 C CG . LEU A 1 206 ? -22.820 -56.610 -118.051 1.00 40.20 ? 206 LEU A CG 1 ATOM 1520 C CD1 . LEU A 1 206 ? -24.318 -56.626 -118.313 1.00 40.43 ? 206 LEU A CD1 1 ATOM 1521 C CD2 . LEU A 1 206 ? -22.067 -55.970 -119.208 1.00 41.09 ? 206 LEU A CD2 1 ATOM 1522 N N . VAL A 1 207 ? -20.927 -53.985 -114.694 1.00 38.86 ? 207 VAL A N 1 ATOM 1523 C CA . VAL A 1 207 ? -20.882 -53.278 -113.424 1.00 38.55 ? 207 VAL A CA 1 ATOM 1524 C C . VAL A 1 207 ? -21.849 -52.106 -113.428 1.00 39.29 ? 207 VAL A C 1 ATOM 1525 O O . VAL A 1 207 ? -21.832 -51.270 -114.335 1.00 40.32 ? 207 VAL A O 1 ATOM 1526 C CB . VAL A 1 207 ? -19.458 -52.776 -113.084 1.00 38.62 ? 207 VAL A CB 1 ATOM 1527 C CG1 . VAL A 1 207 ? -19.428 -52.182 -111.691 1.00 38.48 ? 207 VAL A CG1 1 ATOM 1528 C CG2 . VAL A 1 207 ? -18.461 -53.907 -113.162 1.00 38.66 ? 207 VAL A CG2 1 ATOM 1529 N N . CYS A 1 208 ? -22.691 -52.051 -112.403 1.00 39.14 ? 208 CYS A N 1 ATOM 1530 C CA . CYS A 1 208 ? -23.600 -50.935 -112.230 1.00 40.09 ? 208 CYS A CA 1 ATOM 1531 C C . CYS A 1 208 ? -23.218 -50.112 -111.010 1.00 40.08 ? 208 CYS A C 1 ATOM 1532 O O . CYS A 1 208 ? -23.530 -50.475 -109.877 1.00 39.67 ? 208 CYS A O 1 ATOM 1533 C CB . CYS A 1 208 ? -25.031 -51.428 -112.109 1.00 40.30 ? 208 CYS A CB 1 ATOM 1534 S SG . CYS A 1 208 ? -26.201 -50.091 -112.011 1.00 42.25 ? 208 CYS A SG 1 ATOM 1535 N N . HIS A 1 209 ? -22.543 -48.997 -111.256 1.00 40.89 ? 209 HIS A N 1 ATOM 1536 C CA . HIS A 1 209 ? -22.029 -48.154 -110.188 1.00 41.05 ? 209 HIS A CA 1 ATOM 1537 C C . HIS A 1 209 ? -23.124 -47.226 -109.687 1.00 41.75 ? 209 HIS A C 1 ATOM 1538 O O . HIS A 1 209 ? -23.676 -46.443 -110.459 1.00 42.84 ? 209 HIS A O 1 ATOM 1539 C CB . HIS A 1 209 ? -20.857 -47.313 -110.692 1.00 41.95 ? 209 HIS A CB 1 ATOM 1540 C CG . HIS A 1 209 ? -19.809 -48.093 -111.423 1.00 41.77 ? 209 HIS A CG 1 ATOM 1541 N ND1 . HIS A 1 209 ? -18.519 -48.221 -110.955 1.00 42.20 ? 209 HIS A ND1 1 ATOM 1542 C CD2 . HIS A 1 209 ? -19.851 -48.765 -112.597 1.00 41.71 ? 209 HIS A CD2 1 ATOM 1543 C CE1 . HIS A 1 209 ? -17.815 -48.948 -111.803 1.00 41.92 ? 209 HIS A CE1 1 ATOM 1544 N NE2 . HIS A 1 209 ? -18.600 -49.291 -112.808 1.00 41.60 ? 209 HIS A NE2 1 ATOM 1545 N N . VAL A 1 210 ? -23.436 -47.327 -108.397 1.00 41.28 ? 210 VAL A N 1 ATOM 1546 C CA . VAL A 1 210 ? -24.364 -46.410 -107.738 1.00 41.92 ? 210 VAL A CA 1 ATOM 1547 C C . VAL A 1 210 ? -23.588 -45.673 -106.661 1.00 42.14 ? 210 VAL A C 1 ATOM 1548 O O . VAL A 1 210 ? -23.040 -46.301 -105.757 1.00 41.45 ? 210 VAL A O 1 ATOM 1549 C CB . VAL A 1 210 ? -25.548 -47.149 -107.070 1.00 41.60 ? 210 VAL A CB 1 ATOM 1550 C CG1 . VAL A 1 210 ? -26.606 -46.152 -106.623 1.00 42.83 ? 210 VAL A CG1 1 ATOM 1551 C CG2 . VAL A 1 210 ? -26.155 -48.182 -108.012 1.00 41.16 ? 210 VAL A CG2 1 ATOM 1552 N N . SER A 1 211 ? -23.546 -44.347 -106.752 1.00 43.35 ? 211 SER A N 1 ATOM 1553 C CA . SER A 1 211 ? -22.743 -43.545 -105.834 1.00 43.84 ? 211 SER A CA 1 ATOM 1554 C C . SER A 1 211 ? -23.416 -42.234 -105.436 1.00 45.46 ? 211 SER A C 1 ATOM 1555 O O . SER A 1 211 ? -24.152 -41.633 -106.220 1.00 46.61 ? 211 SER A O 1 ATOM 1556 C CB . SER A 1 211 ? -21.375 -43.257 -106.457 1.00 44.16 ? 211 SER A CB 1 ATOM 1557 O OG . SER A 1 211 ? -20.460 -42.746 -105.501 1.00 44.60 ? 211 SER A OG 1 ATOM 1558 N N . GLY A 1 212 ? -23.151 -41.800 -104.207 1.00 45.89 ? 212 GLY A N 1 ATOM 1559 C CA . GLY A 1 212 ? -23.572 -40.485 -103.728 1.00 47.51 ? 212 GLY A CA 1 ATOM 1560 C C . GLY A 1 212 ? -24.943 -40.433 -103.089 1.00 47.90 ? 212 GLY A C 1 ATOM 1561 O O . GLY A 1 212 ? -25.606 -39.394 -103.118 1.00 49.61 ? 212 GLY A O 1 ATOM 1562 N N . PHE A 1 213 ? -25.370 -41.546 -102.499 1.00 46.56 ? 213 PHE A N 1 ATOM 1563 C CA . PHE A 1 213 ? -26.704 -41.620 -101.923 1.00 46.95 ? 213 PHE A CA 1 ATOM 1564 C C . PHE A 1 213 ? -26.688 -41.695 -100.410 1.00 47.31 ? 213 PHE A C 1 ATOM 1565 O O . PHE A 1 213 ? -25.769 -42.259 -99.810 1.00 46.57 ? 213 PHE A O 1 ATOM 1566 C CB . PHE A 1 213 ? -27.480 -42.802 -102.493 1.00 45.87 ? 213 PHE A CB 1 ATOM 1567 C CG . PHE A 1 213 ? -26.867 -44.135 -102.199 1.00 43.67 ? 213 PHE A CG 1 ATOM 1568 C CD1 . PHE A 1 213 ? -25.889 -44.660 -103.027 1.00 42.28 ? 213 PHE A CD1 1 ATOM 1569 C CD2 . PHE A 1 213 ? -27.286 -44.878 -101.109 1.00 43.25 ? 213 PHE A CD2 1 ATOM 1570 C CE1 . PHE A 1 213 ? -25.326 -45.896 -102.764 1.00 41.26 ? 213 PHE A CE1 1 ATOM 1571 C CE2 . PHE A 1 213 ? -26.727 -46.113 -100.837 1.00 42.40 ? 213 PHE A CE2 1 ATOM 1572 C CZ . PHE A 1 213 ? -25.747 -46.625 -101.668 1.00 41.35 ? 213 PHE A CZ 1 ATOM 1573 N N . TYR A 1 214 ? -27.726 -41.117 -99.813 1.00 48.86 ? 214 TYR A N 1 ATOM 1574 C CA . TYR A 1 214 ? -27.975 -41.191 -98.380 1.00 49.50 ? 214 TYR A CA 1 ATOM 1575 C C . TYR A 1 214 ? -29.492 -41.173 -98.178 1.00 50.86 ? 214 TYR A C 1 ATOM 1576 O O . TYR A 1 214 ? -30.191 -40.404 -98.847 1.00 52.17 ? 214 TYR A O 1 ATOM 1577 C CB . TYR A 1 214 ? -27.306 -40.017 -97.665 1.00 50.73 ? 214 TYR A CB 1 ATOM 1578 C CG . TYR A 1 214 ? -27.399 -40.061 -96.160 1.00 51.44 ? 214 TYR A CG 1 ATOM 1579 C CD1 . TYR A 1 214 ? -28.443 -39.424 -95.492 1.00 53.36 ? 214 TYR A CD1 1 ATOM 1580 C CD2 . TYR A 1 214 ? -26.442 -40.733 -95.404 1.00 50.86 ? 214 TYR A CD2 1 ATOM 1581 C CE1 . TYR A 1 214 ? -28.537 -39.458 -94.107 1.00 54.55 ? 214 TYR A CE1 1 ATOM 1582 C CE2 . TYR A 1 214 ? -26.527 -40.777 -94.016 1.00 52.13 ? 214 TYR A CE2 1 ATOM 1583 C CZ . TYR A 1 214 ? -27.577 -40.136 -93.374 1.00 53.73 ? 214 TYR A CZ 1 ATOM 1584 O OH . TYR A 1 214 ? -27.671 -40.168 -92.001 1.00 54.92 ? 214 TYR A OH 1 ATOM 1585 N N . PRO A 1 215 ? -30.016 -42.013 -97.261 1.00 50.82 ? 215 PRO A N 1 ATOM 1586 C CA . PRO A 1 215 ? -29.343 -42.924 -96.334 1.00 49.88 ? 215 PRO A CA 1 ATOM 1587 C C . PRO A 1 215 ? -28.826 -44.209 -96.982 1.00 48.20 ? 215 PRO A C 1 ATOM 1588 O O . PRO A 1 215 ? -28.906 -44.366 -98.203 1.00 47.52 ? 215 PRO A O 1 ATOM 1589 C CB . PRO A 1 215 ? -30.440 -43.256 -95.309 1.00 51.16 ? 215 PRO A CB 1 ATOM 1590 C CG . PRO A 1 215 ? -31.594 -42.357 -95.629 1.00 52.82 ? 215 PRO A CG 1 ATOM 1591 C CD . PRO A 1 215 ? -31.473 -42.063 -97.076 1.00 52.28 ? 215 PRO A CD 1 ATOM 1592 N N . LYS A 1 216 ? -28.314 -45.115 -96.147 1.00 47.77 ? 216 LYS A N 1 ATOM 1593 C CA . LYS A 1 216 ? -27.632 -46.336 -96.591 1.00 46.31 ? 216 LYS A CA 1 ATOM 1594 C C . LYS A 1 216 ? -28.504 -47.333 -97.380 1.00 45.95 ? 216 LYS A C 1 ATOM 1595 O O . LYS A 1 216 ? -28.102 -47.736 -98.472 1.00 44.93 ? 216 LYS A O 1 ATOM 1596 C CB . LYS A 1 216 ? -26.942 -47.028 -95.408 1.00 46.28 ? 216 LYS A CB 1 ATOM 1597 C CG . LYS A 1 216 ? -25.716 -47.856 -95.763 1.00 45.15 ? 216 LYS A CG 1 ATOM 1598 C CD . LYS A 1 216 ? -25.319 -48.749 -94.586 1.00 46.10 ? 216 LYS A CD 1 ATOM 1599 C CE . LYS A 1 216 ? -23.925 -49.348 -94.739 1.00 44.84 ? 216 LYS A CE 1 ATOM 1600 N N . PRO A 1 217 ? -29.690 -47.729 -96.850 1.00 47.07 ? 217 PRO A N 1 ATOM 1601 C CA . PRO A 1 217 ? -30.476 -48.777 -97.533 1.00 46.89 ? 217 PRO A CA 1 ATOM 1602 C C . PRO A 1 217 ? -30.823 -48.417 -98.977 1.00 46.66 ? 217 PRO A C 1 ATOM 1603 O O . PRO A 1 217 ? -31.173 -47.266 -99.264 1.00 47.65 ? 217 PRO A O 1 ATOM 1604 C CB . PRO A 1 217 ? -31.750 -48.875 -96.688 1.00 48.66 ? 217 PRO A CB 1 ATOM 1605 C CG . PRO A 1 217 ? -31.370 -48.321 -95.360 1.00 49.38 ? 217 PRO A CG 1 ATOM 1606 C CD . PRO A 1 217 ? -30.405 -47.219 -95.666 1.00 48.77 ? 217 PRO A CD 1 ATOM 1607 N N . VAL A 1 218 ? -30.713 -49.406 -99.866 1.00 45.67 ? 218 VAL A N 1 ATOM 1608 C CA . VAL A 1 218 ? -30.816 -49.200 -101.314 1.00 45.21 ? 218 VAL A CA 1 ATOM 1609 C C . VAL A 1 218 ? -31.010 -50.535 -102.046 1.00 44.59 ? 218 VAL A C 1 ATOM 1610 O O . VAL A 1 218 ? -30.436 -51.547 -101.663 1.00 43.65 ? 218 VAL A O 1 ATOM 1611 C CB . VAL A 1 218 ? -29.568 -48.429 -101.867 1.00 44.26 ? 218 VAL A CB 1 ATOM 1612 C CG1 . VAL A 1 218 ? -28.318 -49.296 -101.841 1.00 42.59 ? 218 VAL A CG1 1 ATOM 1613 C CG2 . VAL A 1 218 ? -29.823 -47.883 -103.263 1.00 44.58 ? 218 VAL A CG2 1 ATOM 1614 N N . TRP A 1 219 ? -31.826 -50.515 -103.098 1.00 45.39 ? 219 TRP A N 1 ATOM 1615 C CA . TRP A 1 219 ? -32.130 -51.687 -103.916 1.00 45.19 ? 219 TRP A CA 1 ATOM 1616 C C . TRP A 1 219 ? -31.534 -51.495 -105.307 1.00 44.39 ? 219 TRP A C 1 ATOM 1617 O O . TRP A 1 219 ? -31.741 -50.454 -105.933 1.00 45.29 ? 219 TRP A O 1 ATOM 1618 C CB . TRP A 1 219 ? -33.643 -51.834 -104.012 1.00 47.03 ? 219 TRP A CB 1 ATOM 1619 C CG . TRP A 1 219 ? -34.128 -53.057 -104.714 1.00 47.99 ? 219 TRP A CG 1 ATOM 1620 C CD1 . TRP A 1 219 ? -34.391 -54.273 -104.150 1.00 48.90 ? 219 TRP A CD1 1 ATOM 1621 C CD2 . TRP A 1 219 ? -34.450 -53.182 -106.105 1.00 48.87 ? 219 TRP A CD2 1 ATOM 1622 N NE1 . TRP A 1 219 ? -34.846 -55.154 -105.105 1.00 49.66 ? 219 TRP A NE1 1 ATOM 1623 C CE2 . TRP A 1 219 ? -34.892 -54.512 -106.315 1.00 49.62 ? 219 TRP A CE2 1 ATOM 1624 C CE3 . TRP A 1 219 ? -34.401 -52.304 -107.198 1.00 49.01 ? 219 TRP A CE3 1 ATOM 1625 C CZ2 . TRP A 1 219 ? -35.287 -54.985 -107.574 1.00 50.22 ? 219 TRP A CZ2 1 ATOM 1626 C CZ3 . TRP A 1 219 ? -34.792 -52.771 -108.450 1.00 49.93 ? 219 TRP A CZ3 1 ATOM 1627 C CH2 . TRP A 1 219 ? -35.229 -54.104 -108.627 1.00 50.79 ? 219 TRP A CH2 1 ATOM 1628 N N . VAL A 1 220 ? -30.784 -52.486 -105.784 1.00 43.16 ? 220 VAL A N 1 ATOM 1629 C CA . VAL A 1 220 ? -30.137 -52.419 -107.104 1.00 42.54 ? 220 VAL A CA 1 ATOM 1630 C C . VAL A 1 220 ? -30.189 -53.782 -107.806 1.00 42.28 ? 220 VAL A C 1 ATOM 1631 O O . VAL A 1 220 ? -29.769 -54.791 -107.236 1.00 41.64 ? 220 VAL A O 1 ATOM 1632 C CB . VAL A 1 220 ? -28.658 -51.943 -107.018 1.00 41.39 ? 220 VAL A CB 1 ATOM 1633 C CG1 . VAL A 1 220 ? -28.076 -51.746 -108.411 1.00 41.15 ? 220 VAL A CG1 1 ATOM 1634 C CG2 . VAL A 1 220 ? -28.533 -50.647 -106.218 1.00 41.87 ? 220 VAL A CG2 1 ATOM 1635 N N . MET A 1 221 ? -30.694 -53.808 -109.040 1.00 42.95 ? 221 MET A N 1 ATOM 1636 C CA . MET A 1 221 ? -30.865 -55.067 -109.768 1.00 43.02 ? 221 MET A CA 1 ATOM 1637 C C . MET A 1 221 ? -30.700 -54.990 -111.292 1.00 43.26 ? 221 MET A C 1 ATOM 1638 O O . MET A 1 221 ? -31.205 -54.068 -111.939 1.00 44.26 ? 221 MET A O 1 ATOM 1639 C CB . MET A 1 221 ? -32.221 -55.686 -109.431 1.00 44.40 ? 221 MET A CB 1 ATOM 1640 C CG . MET A 1 221 ? -32.220 -56.567 -108.190 1.00 44.65 ? 221 MET A CG 1 ATOM 1641 S SD . MET A 1 221 ? -31.346 -58.114 -108.478 1.00 44.95 ? 221 MET A SD 1 ATOM 1642 C CE . MET A 1 221 ? -32.191 -59.230 -107.357 1.00 45.59 ? 221 MET A CE 1 ATOM 1643 N N . TRP A 1 222 ? -29.987 -55.973 -111.849 1.00 42.50 ? 222 TRP A N 1 ATOM 1644 C CA . TRP A 1 222 ? -29.964 -56.198 -113.295 1.00 42.78 ? 222 TRP A CA 1 ATOM 1645 C C . TRP A 1 222 ? -31.198 -57.013 -113.675 1.00 44.08 ? 222 TRP A C 1 ATOM 1646 O O . TRP A 1 222 ? -31.581 -57.948 -112.959 1.00 44.01 ? 222 TRP A O 1 ATOM 1647 C CB . TRP A 1 222 ? -28.687 -56.920 -113.730 1.00 41.68 ? 222 TRP A CB 1 ATOM 1648 C CG . TRP A 1 222 ? -27.461 -56.052 -113.726 1.00 40.79 ? 222 TRP A CG 1 ATOM 1649 C CD1 . TRP A 1 222 ? -26.566 -55.913 -112.709 1.00 40.03 ? 222 TRP A CD1 1 ATOM 1650 C CD2 . TRP A 1 222 ? -26.994 -55.206 -114.788 1.00 41.22 ? 222 TRP A CD2 1 ATOM 1651 N NE1 . TRP A 1 222 ? -25.576 -55.028 -113.062 1.00 39.87 ? 222 TRP A NE1 1 ATOM 1652 C CE2 . TRP A 1 222 ? -25.812 -54.581 -114.334 1.00 40.69 ? 222 TRP A CE2 1 ATOM 1653 C CE3 . TRP A 1 222 ? -27.464 -54.908 -116.074 1.00 42.44 ? 222 TRP A CE3 1 ATOM 1654 C CZ2 . TRP A 1 222 ? -25.085 -53.677 -115.124 1.00 41.06 ? 222 TRP A CZ2 1 ATOM 1655 C CZ3 . TRP A 1 222 ? -26.742 -54.007 -116.858 1.00 42.81 ? 222 TRP A CZ3 1 ATOM 1656 C CH2 . TRP A 1 222 ? -25.566 -53.405 -116.379 1.00 41.87 ? 222 TRP A CH2 1 ATOM 1657 N N . MET A 1 223 ? -31.824 -56.641 -114.792 1.00 45.36 ? 223 MET A N 1 ATOM 1658 C CA . MET A 1 223 ? -33.142 -57.164 -115.165 1.00 47.06 ? 223 MET A CA 1 ATOM 1659 C C . MET A 1 223 ? -33.368 -57.241 -116.670 1.00 48.19 ? 223 MET A C 1 ATOM 1660 O O . MET A 1 223 ? -32.771 -56.488 -117.435 1.00 48.22 ? 223 MET A O 1 ATOM 1661 C CB . MET A 1 223 ? -34.242 -56.284 -114.564 1.00 48.36 ? 223 MET A CB 1 ATOM 1662 C CG . MET A 1 223 ? -34.242 -56.227 -113.052 1.00 47.77 ? 223 MET A CG 1 ATOM 1663 S SD . MET A 1 223 ? -35.670 -55.398 -112.366 1.00 50.21 ? 223 MET A SD 1 ATOM 1664 C CE . MET A 1 223 ? -36.982 -56.521 -112.831 1.00 52.15 ? 223 MET A CE 1 ATOM 1665 N N . ARG A 1 224 ? -34.239 -58.157 -117.084 1.00 49.59 ? 224 ARG A N 1 ATOM 1666 C CA . ARG A 1 224 ? -34.796 -58.140 -118.433 1.00 51.42 ? 224 ARG A CA 1 ATOM 1667 C C . ARG A 1 224 ? -36.264 -57.770 -118.336 1.00 53.64 ? 224 ARG A C 1 ATOM 1668 O O . ARG A 1 224 ? -37.118 -58.633 -118.133 1.00 54.86 ? 224 ARG A O 1 ATOM 1669 C CB . ARG A 1 224 ? -34.633 -59.490 -119.136 1.00 51.72 ? 224 ARG A CB 1 ATOM 1670 C CG . ARG A 1 224 ? -33.201 -59.842 -119.459 1.00 50.41 ? 224 ARG A CG 1 ATOM 1671 C CD . ARG A 1 224 ? -33.094 -60.695 -120.708 1.00 52.34 ? 224 ARG A CD 1 ATOM 1672 N NE . ARG A 1 224 ? -31.741 -61.228 -120.840 1.00 51.70 ? 224 ARG A NE 1 ATOM 1673 C CZ . ARG A 1 224 ? -30.753 -60.632 -121.502 1.00 51.52 ? 224 ARG A CZ 1 ATOM 1674 N NH1 . ARG A 1 224 ? -30.959 -59.473 -122.123 1.00 52.65 ? 224 ARG A NH1 1 ATOM 1675 N NH2 . ARG A 1 224 ? -29.556 -61.203 -121.547 1.00 50.24 ? 224 ARG A NH2 1 ATOM 1676 N N . GLY A 1 225 ? -36.544 -56.475 -118.456 1.00 54.40 ? 225 GLY A N 1 ATOM 1677 C CA . GLY A 1 225 ? -37.906 -55.960 -118.372 1.00 56.78 ? 225 GLY A CA 1 ATOM 1678 C C . GLY A 1 225 ? -38.516 -56.170 -117.003 1.00 56.75 ? 225 GLY A C 1 ATOM 1679 O O . GLY A 1 225 ? -38.288 -55.377 -116.090 1.00 55.88 ? 225 GLY A O 1 ATOM 1680 N N . ASP A 1 226 ? -39.286 -57.247 -116.861 1.00 57.88 ? 226 ASP A N 1 ATOM 1681 C CA . ASP A 1 226 ? -39.963 -57.543 -115.602 1.00 58.38 ? 226 ASP A CA 1 ATOM 1682 C C . ASP A 1 226 ? -39.215 -58.555 -114.747 1.00 56.31 ? 226 ASP A C 1 ATOM 1683 O O . ASP A 1 226 ? -39.465 -58.653 -113.545 1.00 56.37 ? 226 ASP A O 1 ATOM 1684 C CB . ASP A 1 226 ? -41.416 -57.993 -115.836 1.00 61.68 ? 226 ASP A CB 1 ATOM 1685 C CG . ASP A 1 226 ? -41.529 -59.261 -116.674 1.00 62.41 ? 226 ASP A CG 1 ATOM 1686 O OD1 . ASP A 1 226 ? -40.495 -59.771 -117.157 1.00 60.62 ? 226 ASP A OD1 1 ATOM 1687 O OD2 . ASP A 1 226 ? -42.670 -59.749 -116.853 1.00 64.85 ? 226 ASP A OD2 1 ATOM 1688 N N . GLN A 1 227 ? -38.301 -59.301 -115.367 1.00 54.86 ? 227 GLN A N 1 ATOM 1689 C CA . GLN A 1 227 ? -37.572 -60.375 -114.681 1.00 53.21 ? 227 GLN A CA 1 ATOM 1690 C C . GLN A 1 227 ? -36.229 -59.902 -114.124 1.00 50.39 ? 227 GLN A C 1 ATOM 1691 O O . GLN A 1 227 ? -35.340 -59.517 -114.882 1.00 49.22 ? 227 GLN A O 1 ATOM 1692 C CB . GLN A 1 227 ? -37.369 -61.589 -115.607 1.00 53.52 ? 227 GLN A CB 1 ATOM 1693 C CG . GLN A 1 227 ? -38.627 -62.411 -115.875 1.00 56.10 ? 227 GLN A CG 1 ATOM 1694 N N . GLU A 1 228 ? -36.097 -59.933 -112.799 1.00 49.56 ? 228 GLU A N 1 ATOM 1695 C CA . GLU A 1 228 ? -34.831 -59.631 -112.134 1.00 47.09 ? 228 GLU A CA 1 ATOM 1696 C C . GLU A 1 228 ? -33.844 -60.771 -112.370 1.00 45.92 ? 228 GLU A C 1 ATOM 1697 O O . GLU A 1 228 ? -34.129 -61.921 -112.030 1.00 46.48 ? 228 GLU A O 1 ATOM 1698 C CB . GLU A 1 228 ? -35.019 -59.458 -110.623 1.00 46.95 ? 228 GLU A CB 1 ATOM 1699 C CG . GLU A 1 228 ? -36.277 -58.739 -110.175 1.00 48.66 ? 228 GLU A CG 1 ATOM 1700 C CD . GLU A 1 228 ? -36.357 -58.581 -108.664 1.00 48.57 ? 228 GLU A CD 1 ATOM 1701 O OE1 . GLU A 1 228 ? -37.228 -57.822 -108.190 1.00 50.24 ? 228 GLU A OE1 1 ATOM 1702 O OE2 . GLU A 1 228 ? -35.553 -59.212 -107.945 1.00 47.34 ? 228 GLU A OE2 1 ATOM 1703 N N . GLN A 1 229 ? -32.690 -60.448 -112.951 1.00 44.43 ? 229 GLN A N 1 ATOM 1704 C CA . GLN A 1 229 ? -31.620 -61.421 -113.146 1.00 43.29 ? 229 GLN A CA 1 ATOM 1705 C C . GLN A 1 229 ? -31.113 -61.865 -111.789 1.00 42.50 ? 229 GLN A C 1 ATOM 1706 O O . GLN A 1 229 ? -30.660 -61.044 -110.995 1.00 41.63 ? 229 GLN A O 1 ATOM 1707 C CB . GLN A 1 229 ? -30.469 -60.821 -113.954 1.00 42.18 ? 229 GLN A CB 1 ATOM 1708 C CG . GLN A 1 229 ? -30.875 -60.206 -115.282 1.00 43.10 ? 229 GLN A CG 1 ATOM 1709 C CD . GLN A 1 229 ? -31.439 -61.218 -116.249 1.00 44.09 ? 229 GLN A CD 1 ATOM 1710 O OE1 . GLN A 1 229 ? -32.649 -61.300 -116.431 1.00 45.95 ? 229 GLN A OE1 1 ATOM 1711 N NE2 . GLN A 1 229 ? -30.565 -62.001 -116.870 1.00 43.59 ? 229 GLN A NE2 1 ATOM 1712 N N . GLN A 1 230 ? -31.197 -63.165 -111.528 1.00 43.15 ? 230 GLN A N 1 ATOM 1713 C CA . GLN A 1 230 ? -30.865 -63.715 -110.213 1.00 42.95 ? 230 GLN A CA 1 ATOM 1714 C C . GLN A 1 230 ? -29.361 -63.739 -109.952 1.00 41.54 ? 230 GLN A C 1 ATOM 1715 O O . GLN A 1 230 ? -28.927 -63.803 -108.801 1.00 41.36 ? 230 GLN A O 1 ATOM 1716 C CB . GLN A 1 230 ? -31.469 -65.118 -110.042 1.00 44.47 ? 230 GLN A CB 1 ATOM 1717 C CG . GLN A 1 230 ? -33.000 -65.153 -110.016 1.00 46.09 ? 230 GLN A CG 1 ATOM 1718 C CD . GLN A 1 230 ? -33.579 -64.574 -108.739 0.70 46.54 ? 230 GLN A CD 1 ATOM 1719 O OE1 . GLN A 1 230 ? -33.895 -63.383 -108.665 0.70 45.89 ? 230 GLN A OE1 1 ATOM 1720 N NE2 . GLN A 1 230 ? -33.705 -65.414 -107.717 0.70 47.65 ? 230 GLN A NE2 1 ATOM 1721 N N . GLY A 1 231 ? -28.571 -63.668 -111.020 1.00 40.90 ? 231 GLY A N 1 ATOM 1722 C CA . GLY A 1 231 ? -27.118 -63.721 -110.907 1.00 39.97 ? 231 GLY A CA 1 ATOM 1723 C C . GLY A 1 231 ? -26.503 -62.441 -110.384 1.00 39.17 ? 231 GLY A C 1 ATOM 1724 O O . GLY A 1 231 ? -25.295 -62.386 -110.153 1.00 38.74 ? 231 GLY A O 1 ATOM 1725 N N . THR A 1 232 ? -27.336 -61.414 -110.207 1.00 39.35 ? 232 THR A N 1 ATOM 1726 C CA . THR A 1 232 ? -26.909 -60.098 -109.738 1.00 38.63 ? 232 THR A CA 1 ATOM 1727 C C . THR A 1 232 ? -26.247 -60.204 -108.377 1.00 38.38 ? 232 THR A C 1 ATOM 1728 O O . THR A 1 232 ? -26.852 -60.702 -107.424 1.00 39.01 ? 232 THR A O 1 ATOM 1729 C CB . THR A 1 232 ? -28.108 -59.138 -109.618 1.00 39.19 ? 232 THR A CB 1 ATOM 1730 O OG1 . THR A 1 232 ? -28.867 -59.168 -110.829 1.00 40.33 ? 232 THR A OG1 1 ATOM 1731 C CG2 . THR A 1 232 ? -27.649 -57.705 -109.354 1.00 38.64 ? 232 THR A CG2 1 ATOM 1732 N N . HIS A 1 233 ? -25.005 -59.736 -108.291 1.00 37.81 ? 233 HIS A N 1 ATOM 1733 C CA . HIS A 1 233 ? -24.293 -59.719 -107.020 1.00 37.87 ? 233 HIS A CA 1 ATOM 1734 C C . HIS A 1 233 ? -24.119 -58.330 -106.431 1.00 37.73 ? 233 HIS A C 1 ATOM 1735 O O . HIS A 1 233 ? -23.573 -57.424 -107.065 1.00 37.33 ? 233 HIS A O 1 ATOM 1736 C CB . HIS A 1 233 ? -22.931 -60.397 -107.131 1.00 37.83 ? 233 HIS A CB 1 ATOM 1737 C CG . HIS A 1 233 ? -22.176 -60.425 -105.838 1.00 38.29 ? 233 HIS A CG 1 ATOM 1738 N ND1 . HIS A 1 233 ? -21.131 -59.567 -105.566 1.00 37.92 ? 233 HIS A ND1 1 ATOM 1739 C CD2 . HIS A 1 233 ? -22.336 -61.188 -104.731 1.00 38.71 ? 233 HIS A CD2 1 ATOM 1740 C CE1 . HIS A 1 233 ? -20.664 -59.817 -104.356 1.00 38.32 ? 233 HIS A CE1 1 ATOM 1741 N NE2 . HIS A 1 233 ? -21.381 -60.793 -103.826 1.00 38.97 ? 233 HIS A NE2 1 ATOM 1742 N N . ARG A 1 234 ? -24.587 -58.185 -105.197 1.00 38.35 ? 234 ARG A N 1 ATOM 1743 C CA . ARG A 1 234 ? -24.370 -56.982 -104.415 1.00 38.53 ? 234 ARG A CA 1 ATOM 1744 C C . ARG A 1 234 ? -22.933 -56.910 -103.908 1.00 38.30 ? 234 ARG A C 1 ATOM 1745 O O . ARG A 1 234 ? -22.399 -57.894 -103.388 1.00 38.35 ? 234 ARG A O 1 ATOM 1746 C CB . ARG A 1 234 ? -25.320 -56.958 -103.227 1.00 39.31 ? 234 ARG A CB 1 ATOM 1747 C CG . ARG A 1 234 ? -26.540 -56.082 -103.403 1.00 40.51 ? 234 ARG A CG 1 ATOM 1748 C CD . ARG A 1 234 ? -27.292 -56.039 -102.084 1.00 42.50 ? 234 ARG A CD 1 ATOM 1749 N NE . ARG A 1 234 ? -28.095 -54.834 -101.917 0.70 43.46 ? 234 ARG A NE 1 ATOM 1750 C CZ . ARG A 1 234 ? -28.503 -54.372 -100.739 0.70 44.99 ? 234 ARG A CZ 1 ATOM 1751 N NH1 . ARG A 1 234 ? -28.176 -55.003 -99.613 0.70 45.52 ? 234 ARG A NH1 1 ATOM 1752 N NH2 . ARG A 1 234 ? -29.231 -53.269 -100.682 0.70 46.07 ? 234 ARG A NH2 1 ATOM 1753 N N . GLY A 1 235 ? -22.319 -55.736 -104.064 1.00 38.11 ? 235 GLY A N 1 ATOM 1754 C CA . GLY A 1 235 ? -21.002 -55.462 -103.483 1.00 38.07 ? 235 GLY A CA 1 ATOM 1755 C C . GLY A 1 235 ? -21.171 -54.965 -102.063 1.00 38.41 ? 235 GLY A C 1 ATOM 1756 O O . GLY A 1 235 ? -22.298 -54.839 -101.578 1.00 38.65 ? 235 GLY A O 1 ATOM 1757 N N . ASP A 1 236 ? -20.060 -54.690 -101.387 1.00 38.69 ? 236 ASP A N 1 ATOM 1758 C CA . ASP A 1 236 ? -20.120 -54.040 -100.076 1.00 39.32 ? 236 ASP A CA 1 ATOM 1759 C C . ASP A 1 236 ? -20.515 -52.564 -100.235 1.00 39.09 ? 236 ASP A C 1 ATOM 1760 O O . ASP A 1 236 ? -20.453 -52.009 -101.336 1.00 38.64 ? 236 ASP A O 1 ATOM 1761 C CB . ASP A 1 236 ? -18.774 -54.147 -99.350 1.00 40.26 ? 236 ASP A CB 1 ATOM 1762 C CG . ASP A 1 236 ? -18.145 -55.533 -99.458 0.70 41.00 ? 236 ASP A CG 1 ATOM 1763 O OD1 . ASP A 1 236 ? -18.863 -56.551 -99.304 0.70 41.54 ? 236 ASP A OD1 1 ATOM 1764 O OD2 . ASP A 1 236 ? -16.918 -55.599 -99.688 0.70 41.82 ? 236 ASP A OD2 1 ATOM 1765 N N . PHE A 1 237 ? -20.940 -51.941 -99.140 1.00 39.56 ? 237 PHE A N 1 ATOM 1766 C CA . PHE A 1 237 ? -21.189 -50.502 -99.123 1.00 39.69 ? 237 PHE A CA 1 ATOM 1767 C C . PHE A 1 237 ? -19.873 -49.782 -98.880 1.00 40.13 ? 237 PHE A C 1 ATOM 1768 O O . PHE A 1 237 ? -19.221 -50.008 -97.861 1.00 40.87 ? 237 PHE A O 1 ATOM 1769 C CB . PHE A 1 237 ? -22.178 -50.134 -98.018 1.00 40.40 ? 237 PHE A CB 1 ATOM 1770 C CG . PHE A 1 237 ? -23.589 -50.562 -98.292 1.00 40.59 ? 237 PHE A CG 1 ATOM 1771 C CD1 . PHE A 1 237 ? -24.473 -49.704 -98.941 1.00 40.83 ? 237 PHE A CD1 1 ATOM 1772 C CD2 . PHE A 1 237 ? -24.042 -51.818 -97.888 1.00 41.16 ? 237 PHE A CD2 1 ATOM 1773 C CE1 . PHE A 1 237 ? -25.780 -50.091 -99.195 1.00 41.44 ? 237 PHE A CE1 1 ATOM 1774 C CE2 . PHE A 1 237 ? -25.350 -52.218 -98.140 1.00 41.75 ? 237 PHE A CE2 1 ATOM 1775 C CZ . PHE A 1 237 ? -26.223 -51.350 -98.795 1.00 41.87 ? 237 PHE A CZ 1 ATOM 1776 N N . LEU A 1 238 ? -19.481 -48.917 -99.808 1.00 39.94 ? 238 LEU A N 1 ATOM 1777 C CA . LEU A 1 238 ? -18.216 -48.195 -99.684 1.00 40.60 ? 238 LEU A CA 1 ATOM 1778 C C . LEU A 1 238 ? -18.461 -46.715 -99.385 1.00 41.43 ? 238 LEU A C 1 ATOM 1779 O O . LEU A 1 238 ? -19.310 -46.096 -100.022 1.00 41.30 ? 238 LEU A O 1 ATOM 1780 C CB . LEU A 1 238 ? -17.366 -48.373 -100.950 1.00 40.37 ? 238 LEU A CB 1 ATOM 1781 C CG . LEU A 1 238 ? -17.140 -49.777 -101.539 1.00 39.39 ? 238 LEU A CG 1 ATOM 1782 C CD1 . LEU A 1 238 ? -16.251 -49.687 -102.764 1.00 39.24 ? 238 LEU A CD1 1 ATOM 1783 C CD2 . LEU A 1 238 ? -16.555 -50.769 -100.535 1.00 39.37 ? 238 LEU A CD2 1 ATOM 1784 N N . PRO A 1 239 ? -17.721 -46.145 -98.410 1.00 42.62 ? 239 PRO A N 1 ATOM 1785 C CA . PRO A 1 239 ? -17.908 -44.762 -97.939 1.00 43.83 ? 239 PRO A CA 1 ATOM 1786 C C . PRO A 1 239 ? -17.544 -43.677 -98.946 1.00 44.46 ? 239 PRO A C 1 ATOM 1787 O O . PRO A 1 239 ? -16.770 -43.910 -99.868 1.00 44.42 ? 239 PRO A O 1 ATOM 1788 C CB . PRO A 1 239 ? -16.954 -44.665 -96.743 1.00 44.91 ? 239 PRO A CB 1 ATOM 1789 C CG . PRO A 1 239 ? -16.658 -46.059 -96.363 1.00 44.29 ? 239 PRO A CG 1 ATOM 1790 C CD . PRO A 1 239 ? -16.673 -46.828 -97.635 1.00 43.18 ? 239 PRO A CD 1 ATOM 1791 N N . ASN A 1 240 ? -18.116 -42.497 -98.750 1.00 45.51 ? 240 ASN A N 1 ATOM 1792 C CA . ASN A 1 240 ? -17.721 -41.291 -99.468 1.00 46.97 ? 240 ASN A CA 1 ATOM 1793 C C . ASN A 1 240 ? -17.456 -40.168 -98.466 1.00 48.92 ? 240 ASN A C 1 ATOM 1794 O O . ASN A 1 240 ? -18.177 -40.032 -97.478 1.00 49.18 ? 240 ASN A O 1 ATOM 1795 C CB . ASN A 1 240 ? -18.813 -40.855 -100.447 1.00 46.70 ? 240 ASN A CB 1 ATOM 1796 C CG . ASN A 1 240 ? -18.871 -41.717 -101.693 1.00 45.26 ? 240 ASN A CG 1 ATOM 1797 O OD1 . ASN A 1 240 ? -17.849 -42.184 -102.189 1.00 45.40 ? 240 ASN A OD1 1 ATOM 1798 N ND2 . ASN A 1 240 ? -20.073 -41.910 -102.220 1.00 44.04 ? 240 ASN A ND2 1 ATOM 1799 N N . ALA A 1 241 ? -16.430 -39.363 -98.729 1.00 50.65 ? 241 ALA A N 1 ATOM 1800 C CA . ALA A 1 241 ? -16.017 -38.289 -97.818 1.00 52.83 ? 241 ALA A CA 1 ATOM 1801 C C . ALA A 1 241 ? -17.175 -37.433 -97.303 1.00 53.52 ? 241 ALA A C 1 ATOM 1802 O O . ALA A 1 241 ? -17.202 -37.072 -96.127 1.00 54.48 ? 241 ALA A O 1 ATOM 1803 C CB . ALA A 1 241 ? -14.957 -37.410 -98.473 1.00 54.66 ? 241 ALA A CB 1 ATOM 1804 N N . ASP A 1 242 ? -18.129 -37.125 -98.180 1.00 53.31 ? 242 ASP A N 1 ATOM 1805 C CA . ASP A 1 242 ? -19.298 -36.321 -97.810 1.00 54.36 ? 242 ASP A CA 1 ATOM 1806 C C . ASP A 1 242 ? -20.380 -37.147 -97.110 1.00 53.23 ? 242 ASP A C 1 ATOM 1807 O O . ASP A 1 242 ? -21.559 -36.771 -97.100 1.00 53.58 ? 242 ASP A O 1 ATOM 1808 C CB . ASP A 1 242 ? -19.866 -35.580 -99.028 1.00 55.05 ? 242 ASP A CB 1 ATOM 1809 C CG . ASP A 1 242 ? -20.336 -36.518 -100.126 1.00 53.51 ? 242 ASP A CG 1 ATOM 1810 O OD1 . ASP A 1 242 ? -21.289 -36.150 -100.841 1.00 54.30 ? 242 ASP A OD1 1 ATOM 1811 O OD2 . ASP A 1 242 ? -19.758 -37.615 -100.285 1.00 52.73 ? 242 ASP A OD2 1 ATOM 1812 N N . GLU A 1 243 ? -19.953 -38.270 -96.526 1.00 52.19 ? 243 GLU A N 1 ATOM 1813 C CA . GLU A 1 243 ? -20.795 -39.167 -95.720 1.00 51.35 ? 243 GLU A CA 1 ATOM 1814 C C . GLU A 1 243 ? -21.870 -39.905 -96.528 1.00 49.98 ? 243 GLU A C 1 ATOM 1815 O O . GLU A 1 243 ? -22.818 -40.455 -95.961 1.00 49.61 ? 243 GLU A O 1 ATOM 1816 C CB . GLU A 1 243 ? -21.397 -38.419 -94.515 1.00 52.92 ? 243 GLU A CB 1 ATOM 1817 C CG . GLU A 1 243 ? -20.375 -37.587 -93.728 1.00 54.85 ? 243 GLU A CG 1 ATOM 1818 C CD . GLU A 1 243 ? -20.871 -37.153 -92.361 1.00 56.50 ? 243 GLU A CD 1 ATOM 1819 O OE1 . GLU A 1 243 ? -20.858 -35.934 -92.086 1.00 58.62 ? 243 GLU A OE1 1 ATOM 1820 O OE2 . GLU A 1 243 ? -21.261 -38.027 -91.559 1.00 56.16 ? 243 GLU A OE2 1 ATOM 1821 N N . THR A 1 244 ? -21.708 -39.925 -97.849 1.00 49.49 ? 244 THR A N 1 ATOM 1822 C CA . THR A 1 244 ? -22.621 -40.649 -98.732 1.00 48.69 ? 244 THR A CA 1 ATOM 1823 C C . THR A 1 244 ? -22.142 -42.094 -98.958 1.00 47.42 ? 244 THR A C 1 ATOM 1824 O O . THR A 1 244 ? -21.278 -42.597 -98.226 1.00 47.44 ? 244 THR A O 1 ATOM 1825 C CB . THR A 1 244 ? -22.838 -39.913 -100.078 1.00 49.22 ? 244 THR A CB 1 ATOM 1826 O OG1 . THR A 1 244 ? -21.599 -39.358 -100.533 1.00 49.62 ? 244 THR A OG1 1 ATOM 1827 C CG2 . THR A 1 244 ? -23.866 -38.795 -99.927 1.00 50.62 ? 244 THR A CG2 1 ATOM 1828 N N . TRP A 1 245 ? -22.702 -42.775 -99.951 1.00 46.65 ? 245 TRP A N 1 ATOM 1829 C CA . TRP A 1 245 ? -22.370 -44.183 -100.141 1.00 45.73 ? 245 TRP A CA 1 ATOM 1830 C C . TRP A 1 245 ? -22.129 -44.584 -101.592 1.00 45.11 ? 245 TRP A C 1 ATOM 1831 O O . TRP A 1 245 ? -22.731 -44.037 -102.517 1.00 45.76 ? 245 TRP A O 1 ATOM 1832 C CB . TRP A 1 245 ? -23.437 -45.076 -99.497 1.00 45.40 ? 245 TRP A CB 1 ATOM 1833 C CG . TRP A 1 245 ? -23.486 -44.928 -98.004 1.00 46.61 ? 245 TRP A CG 1 ATOM 1834 C CD1 . TRP A 1 245 ? -24.268 -44.064 -97.288 1.00 47.70 ? 245 TRP A CD1 1 ATOM 1835 C CD2 . TRP A 1 245 ? -22.705 -45.653 -97.044 1.00 46.69 ? 245 TRP A CD2 1 ATOM 1836 N NE1 . TRP A 1 245 ? -24.024 -44.210 -95.943 1.00 48.50 ? 245 TRP A NE1 1 ATOM 1837 C CE2 . TRP A 1 245 ? -23.069 -45.177 -95.765 1.00 47.84 ? 245 TRP A CE2 1 ATOM 1838 C CE3 . TRP A 1 245 ? -21.734 -46.660 -97.141 1.00 45.58 ? 245 TRP A CE3 1 ATOM 1839 C CZ2 . TRP A 1 245 ? -22.498 -45.677 -94.589 1.00 48.30 ? 245 TRP A CZ2 1 ATOM 1840 C CZ3 . TRP A 1 245 ? -21.165 -47.152 -95.973 1.00 46.26 ? 245 TRP A CZ3 1 ATOM 1841 C CH2 . TRP A 1 245 ? -21.550 -46.659 -94.714 1.00 47.45 ? 245 TRP A CH2 1 ATOM 1842 N N . TYR A 1 246 ? -21.223 -45.534 -101.773 1.00 44.21 ? 246 TYR A N 1 ATOM 1843 C CA . TYR A 1 246 ? -20.959 -46.111 -103.071 1.00 43.63 ? 246 TYR A CA 1 ATOM 1844 C C . TYR A 1 246 ? -21.251 -47.606 -102.993 1.00 42.55 ? 246 TYR A C 1 ATOM 1845 O O . TYR A 1 246 ? -20.827 -48.290 -102.057 1.00 42.31 ? 246 TYR A O 1 ATOM 1846 C CB . TYR A 1 246 ? -19.515 -45.835 -103.497 1.00 44.10 ? 246 TYR A CB 1 ATOM 1847 C CG . TYR A 1 246 ? -19.086 -46.516 -104.781 1.00 44.11 ? 246 TYR A CG 1 ATOM 1848 C CD1 . TYR A 1 246 ? -19.249 -45.895 -106.014 1.00 45.00 ? 246 TYR A CD1 1 ATOM 1849 C CD2 . TYR A 1 246 ? -18.503 -47.779 -104.757 1.00 44.47 ? 246 TYR A CD2 1 ATOM 1850 C CE1 . TYR A 1 246 ? -18.848 -46.517 -107.196 1.00 45.39 ? 246 TYR A CE1 1 ATOM 1851 C CE2 . TYR A 1 246 ? -18.099 -48.412 -105.931 1.00 44.68 ? 246 TYR A CE2 1 ATOM 1852 C CZ . TYR A 1 246 ? -18.274 -47.776 -107.144 1.00 45.01 ? 246 TYR A CZ 1 ATOM 1853 O OH . TYR A 1 246 ? -17.871 -48.407 -108.298 0.70 45.36 ? 246 TYR A OH 1 ATOM 1854 N N . LEU A 1 247 ? -22.002 -48.094 -103.971 1.00 42.05 ? 247 LEU A N 1 ATOM 1855 C CA . LEU A 1 247 ? -22.365 -49.497 -104.050 1.00 41.37 ? 247 LEU A CA 1 ATOM 1856 C C . LEU A 1 247 ? -22.436 -49.917 -105.507 1.00 41.03 ? 247 LEU A C 1 ATOM 1857 O O . LEU A 1 247 ? -23.017 -49.214 -106.341 1.00 41.63 ? 247 LEU A O 1 ATOM 1858 C CB . LEU A 1 247 ? -23.722 -49.745 -103.388 1.00 41.60 ? 247 LEU A CB 1 ATOM 1859 C CG . LEU A 1 247 ? -24.130 -51.219 -103.309 1.00 41.11 ? 247 LEU A CG 1 ATOM 1860 C CD1 . LEU A 1 247 ? -23.626 -51.840 -102.018 1.00 41.00 ? 247 LEU A CD1 1 ATOM 1861 C CD2 . LEU A 1 247 ? -25.634 -51.376 -103.425 1.00 41.62 ? 247 LEU A CD2 1 ATOM 1862 N N . GLN A 1 248 ? -21.848 -51.063 -105.817 1.00 40.23 ? 248 GLN A N 1 ATOM 1863 C CA . GLN A 1 248 ? -21.958 -51.586 -107.161 1.00 39.83 ? 248 GLN A CA 1 ATOM 1864 C C . GLN A 1 248 ? -22.664 -52.928 -107.182 1.00 39.28 ? 248 GLN A C 1 ATOM 1865 O O . GLN A 1 248 ? -22.462 -53.766 -106.299 1.00 39.19 ? 248 GLN A O 1 ATOM 1866 C CB . GLN A 1 248 ? -20.594 -51.635 -107.859 1.00 39.98 ? 248 GLN A CB 1 ATOM 1867 C CG . GLN A 1 248 ? -19.658 -52.758 -107.426 1.00 39.56 ? 248 GLN A CG 1 ATOM 1868 C CD . GLN A 1 248 ? -18.342 -52.744 -108.191 1.00 39.71 ? 248 GLN A CD 1 ATOM 1869 O OE1 . GLN A 1 248 ? -17.816 -53.798 -108.550 1.00 39.04 ? 248 GLN A OE1 1 ATOM 1870 N NE2 . GLN A 1 248 ? -17.806 -51.545 -108.447 1.00 39.78 ? 248 GLN A NE2 1 ATOM 1871 N N . ALA A 1 249 ? -23.519 -53.108 -108.180 1.00 39.11 ? 249 ALA A N 1 ATOM 1872 C CA . ALA A 1 249 ? -24.133 -54.393 -108.441 1.00 38.79 ? 249 ALA A CA 1 ATOM 1873 C C . ALA A 1 249 ? -23.586 -54.901 -109.760 1.00 38.59 ? 249 ALA A C 1 ATOM 1874 O O . ALA A 1 249 ? -23.619 -54.186 -110.766 1.00 38.98 ? 249 ALA A O 1 ATOM 1875 C CB . ALA A 1 249 ? -25.633 -54.264 -108.500 1.00 39.39 ? 249 ALA A CB 1 ATOM 1876 N N . THR A 1 250 ? -23.069 -56.126 -109.748 1.00 38.09 ? 250 THR A N 1 ATOM 1877 C CA . THR A 1 250 ? -22.477 -56.714 -110.941 1.00 38.18 ? 250 THR A CA 1 ATOM 1878 C C . THR A 1 250 ? -23.402 -57.738 -111.577 1.00 38.36 ? 250 THR A C 1 ATOM 1879 O O . THR A 1 250 ? -24.286 -58.273 -110.911 1.00 38.59 ? 250 THR A O 1 ATOM 1880 C CB . THR A 1 250 ? -21.117 -57.404 -110.644 1.00 38.24 ? 250 THR A CB 1 ATOM 1881 O OG1 . THR A 1 250 ? -21.329 -58.606 -109.886 1.00 38.03 ? 250 THR A OG1 1 ATOM 1882 C CG2 . THR A 1 250 ? -20.160 -56.461 -109.898 1.00 38.41 ? 250 THR A CG2 1 ATOM 1883 N N . LEU A 1 251 ? -23.191 -58.004 -112.867 1.00 38.57 ? 251 LEU A N 1 ATOM 1884 C CA . LEU A 1 251 ? -23.811 -59.152 -113.535 1.00 38.83 ? 251 LEU A CA 1 ATOM 1885 C C . LEU A 1 251 ? -22.840 -59.853 -114.486 1.00 39.07 ? 251 LEU A C 1 ATOM 1886 O O . LEU A 1 251 ? -22.264 -59.219 -115.379 1.00 39.21 ? 251 LEU A O 1 ATOM 1887 C CB . LEU A 1 251 ? -25.089 -58.755 -114.282 1.00 39.40 ? 251 LEU A CB 1 ATOM 1888 C CG . LEU A 1 251 ? -25.980 -59.925 -114.711 1.00 39.63 ? 251 LEU A CG 1 ATOM 1889 C CD1 . LEU A 1 251 ? -26.584 -60.558 -113.490 1.00 39.48 ? 251 LEU A CD1 1 ATOM 1890 C CD2 . LEU A 1 251 ? -27.074 -59.490 -115.666 1.00 40.51 ? 251 LEU A CD2 1 ATOM 1891 N N . ASP A 1 252 ? -22.666 -61.159 -114.281 1.00 39.05 ? 252 ASP A N 1 ATOM 1892 C CA . ASP A 1 252 ? -21.882 -61.990 -115.188 1.00 39.57 ? 252 ASP A CA 1 ATOM 1893 C C . ASP A 1 252 ? -22.758 -62.441 -116.347 1.00 40.42 ? 252 ASP A C 1 ATOM 1894 O O . ASP A 1 252 ? -23.858 -62.948 -116.132 1.00 40.94 ? 252 ASP A O 1 ATOM 1895 C CB . ASP A 1 252 ? -21.312 -63.202 -114.454 1.00 39.65 ? 252 ASP A CB 1 ATOM 1896 C CG . ASP A 1 252 ? -20.428 -64.066 -115.343 1.00 40.67 ? 252 ASP A CG 1 ATOM 1897 O OD1 . ASP A 1 252 ? -20.965 -64.919 -116.095 1.00 41.43 ? 252 ASP A OD1 1 ATOM 1898 O OD2 . ASP A 1 252 ? -19.191 -63.899 -115.270 1.00 40.43 ? 252 ASP A OD2 1 ATOM 1899 N N . VAL A 1 253 ? -22.266 -62.248 -117.570 1.00 41.06 ? 253 VAL A N 1 ATOM 1900 C CA . VAL A 1 253 ? -22.998 -62.601 -118.794 1.00 42.15 ? 253 VAL A CA 1 ATOM 1901 C C . VAL A 1 253 ? -22.059 -63.112 -119.886 1.00 43.18 ? 253 VAL A C 1 ATOM 1902 O O . VAL A 1 253 ? -20.892 -62.726 -119.933 1.00 43.01 ? 253 VAL A O 1 ATOM 1903 C CB . VAL A 1 253 ? -23.833 -61.408 -119.358 1.00 42.44 ? 253 VAL A CB 1 ATOM 1904 C CG1 . VAL A 1 253 ? -25.083 -61.173 -118.519 1.00 42.16 ? 253 VAL A CG1 1 ATOM 1905 C CG2 . VAL A 1 253 ? -22.990 -60.130 -119.481 1.00 41.90 ? 253 VAL A CG2 1 ATOM 1906 N N . GLU A 1 254 ? -22.568 -63.987 -120.752 1.00 44.53 ? 254 GLU A N 1 ATOM 1907 C CA . GLU A 1 254 ? -21.811 -64.422 -121.920 1.00 46.09 ? 254 GLU A CA 1 ATOM 1908 C C . GLU A 1 254 ? -21.869 -63.308 -122.949 1.00 47.10 ? 254 GLU A C 1 ATOM 1909 O O . GLU A 1 254 ? -22.959 -62.905 -123.368 1.00 47.85 ? 254 GLU A O 1 ATOM 1910 C CB . GLU A 1 254 ? -22.374 -65.718 -122.514 1.00 47.17 ? 254 GLU A CB 1 ATOM 1911 C CG . GLU A 1 254 ? -22.044 -66.982 -121.720 1.00 47.40 ? 254 GLU A CG 1 ATOM 1912 C CD . GLU A 1 254 ? -22.434 -68.257 -122.452 1.00 48.67 ? 254 GLU A CD 1 ATOM 1913 N N . ALA A 1 255 ? -20.699 -62.793 -123.327 1.00 47.61 ? 255 ALA A N 1 ATOM 1914 C CA . ALA A 1 255 ? -20.594 -61.740 -124.331 1.00 48.62 ? 255 ALA A CA 1 ATOM 1915 C C . ALA A 1 255 ? -21.621 -61.977 -125.445 1.00 50.01 ? 255 ALA A C 1 ATOM 1916 O O . ALA A 1 255 ? -21.471 -62.889 -126.267 1.00 51.00 ? 255 ALA A O 1 ATOM 1917 C CB . ALA A 1 255 ? -19.171 -61.673 -124.888 1.00 49.38 ? 255 ALA A CB 1 ATOM 1918 N N . GLY A 1 256 ? -22.683 -61.171 -125.425 1.00 50.15 ? 256 GLY A N 1 ATOM 1919 C CA . GLY A 1 256 ? -23.806 -61.321 -126.344 1.00 51.51 ? 256 GLY A CA 1 ATOM 1920 C C . GLY A 1 256 ? -25.155 -61.121 -125.676 1.00 51.22 ? 256 GLY A C 1 ATOM 1921 O O . GLY A 1 256 ? -26.100 -60.644 -126.307 1.00 52.71 ? 256 GLY A O 1 ATOM 1922 N N . GLU A 1 257 ? -25.250 -61.486 -124.400 1.00 49.66 ? 257 GLU A N 1 ATOM 1923 C CA . GLU A 1 257 ? -26.478 -61.296 -123.623 1.00 49.41 ? 257 GLU A CA 1 ATOM 1924 C C . GLU A 1 257 ? -26.576 -59.861 -123.112 1.00 48.81 ? 257 GLU A C 1 ATOM 1925 O O . GLU A 1 257 ? -27.535 -59.496 -122.433 1.00 48.80 ? 257 GLU A O 1 ATOM 1926 C CB . GLU A 1 257 ? -26.517 -62.254 -122.424 1.00 48.42 ? 257 GLU A CB 1 ATOM 1927 C CG . GLU A 1 257 ? -26.467 -63.743 -122.755 1.00 49.06 ? 257 GLU A CG 1 ATOM 1928 C CD . GLU A 1 257 ? -26.144 -64.602 -121.536 0.70 48.15 ? 257 GLU A CD 1 ATOM 1929 O OE1 . GLU A 1 257 ? -25.818 -64.039 -120.467 0.70 46.39 ? 257 GLU A OE1 1 ATOM 1930 O OE2 . GLU A 1 257 ? -26.214 -65.848 -121.650 0.70 49.02 ? 257 GLU A OE2 1 ATOM 1931 N N . GLU A 1 258 ? -25.577 -59.057 -123.454 1.00 48.63 ? 258 GLU A N 1 ATOM 1932 C CA . GLU A 1 258 ? -25.386 -57.731 -122.874 1.00 48.14 ? 258 GLU A CA 1 ATOM 1933 C C . GLU A 1 258 ? -26.522 -56.754 -123.179 1.00 49.42 ? 258 GLU A C 1 ATOM 1934 O O . GLU A 1 258 ? -26.974 -56.028 -122.293 1.00 48.93 ? 258 GLU A O 1 ATOM 1935 C CB . GLU A 1 258 ? -24.027 -57.173 -123.307 1.00 48.19 ? 258 GLU A CB 1 ATOM 1936 C CG . GLU A 1 258 ? -22.846 -57.995 -122.778 1.00 46.92 ? 258 GLU A CG 1 ATOM 1937 C CD . GLU A 1 258 ? -21.761 -58.249 -123.814 0.70 47.90 ? 258 GLU A CD 1 ATOM 1938 O OE1 . GLU A 1 258 ? -22.077 -58.307 -125.025 0.70 49.55 ? 258 GLU A OE1 1 ATOM 1939 O OE2 . GLU A 1 258 ? -20.587 -58.405 -123.411 0.70 47.06 ? 258 GLU A OE2 1 ATOM 1940 N N . ALA A 1 259 ? -26.991 -56.748 -124.424 1.00 51.28 ? 259 ALA A N 1 ATOM 1941 C CA . ALA A 1 259 ? -28.094 -55.872 -124.832 1.00 52.90 ? 259 ALA A CA 1 ATOM 1942 C C . ALA A 1 259 ? -29.449 -56.372 -124.310 1.00 53.17 ? 259 ALA A C 1 ATOM 1943 O O . ALA A 1 259 ? -29.662 -57.584 -124.138 1.00 52.60 ? 259 ALA A O 1 ATOM 1944 C CB . ALA A 1 259 ? -28.122 -55.715 -126.350 1.00 54.98 ? 259 ALA A CB 1 ATOM 1945 N N . GLY A 1 260 ? -30.354 -55.426 -124.059 1.00 54.00 ? 260 GLY A N 1 ATOM 1946 C CA . GLY A 1 260 ? -31.680 -55.737 -123.534 1.00 54.56 ? 260 GLY A CA 1 ATOM 1947 C C . GLY A 1 260 ? -31.710 -55.790 -122.018 1.00 52.74 ? 260 GLY A C 1 ATOM 1948 O O . GLY A 1 260 ? -32.785 -55.818 -121.411 1.00 53.51 ? 260 GLY A O 1 ATOM 1949 N N . LEU A 1 261 ? -30.526 -55.819 -121.408 1.00 50.49 ? 261 LEU A N 1 ATOM 1950 C CA . LEU A 1 261 ? -30.398 -55.756 -119.958 1.00 48.60 ? 261 LEU A CA 1 ATOM 1951 C C . LEU A 1 261 ? -30.526 -54.320 -119.476 1.00 48.79 ? 261 LEU A C 1 ATOM 1952 O O . LEU A 1 261 ? -30.417 -53.375 -120.266 1.00 49.76 ? 261 LEU A O 1 ATOM 1953 C CB . LEU A 1 261 ? -29.067 -56.349 -119.500 1.00 46.57 ? 261 LEU A CB 1 ATOM 1954 C CG . LEU A 1 261 ? -28.967 -57.873 -119.503 1.00 45.97 ? 261 LEU A CG 1 ATOM 1955 C CD1 . LEU A 1 261 ? -27.557 -58.308 -119.168 1.00 44.03 ? 261 LEU A CD1 1 ATOM 1956 C CD2 . LEU A 1 261 ? -29.952 -58.471 -118.523 1.00 46.10 ? 261 LEU A CD2 1 ATOM 1957 N N . ALA A 1 262 ? -30.769 -54.171 -118.177 1.00 47.86 ? 262 ALA A N 1 ATOM 1958 C CA . ALA A 1 262 ? -30.914 -52.865 -117.555 1.00 48.16 ? 262 ALA A CA 1 ATOM 1959 C C . ALA A 1 262 ? -30.515 -52.913 -116.086 1.00 46.62 ? 262 ALA A C 1 ATOM 1960 O O . ALA A 1 262 ? -30.672 -53.947 -115.426 1.00 45.83 ? 262 ALA A O 1 ATOM 1961 C CB . ALA A 1 262 ? -32.336 -52.378 -117.692 1.00 50.24 ? 262 ALA A CB 1 ATOM 1962 N N . CYS A 1 263 ? -29.996 -51.793 -115.584 1.00 46.26 ? 263 CYS A N 1 ATOM 1963 C CA . CYS A 1 263 ? -29.742 -51.643 -114.156 1.00 45.21 ? 263 CYS A CA 1 ATOM 1964 C C . CYS A 1 263 ? -30.823 -50.796 -113.490 1.00 46.31 ? 263 CYS A C 1 ATOM 1965 O O . CYS A 1 263 ? -31.007 -49.628 -113.832 1.00 47.54 ? 263 CYS A O 1 ATOM 1966 C CB . CYS A 1 263 ? -28.368 -51.040 -113.891 1.00 44.25 ? 263 CYS A CB 1 ATOM 1967 S SG . CYS A 1 263 ? -27.980 -51.037 -112.135 1.00 43.87 ? 263 CYS A SG 1 ATOM 1968 N N . ARG A 1 264 ? -31.526 -51.399 -112.535 1.00 46.13 ? 264 ARG A N 1 ATOM 1969 C CA . ARG A 1 264 ? -32.666 -50.771 -111.881 1.00 47.53 ? 264 ARG A CA 1 ATOM 1970 C C . ARG A 1 264 ? -32.314 -50.418 -110.443 1.00 46.66 ? 264 ARG A C 1 ATOM 1971 O O . ARG A 1 264 ? -32.011 -51.300 -109.638 1.00 45.49 ? 264 ARG A O 1 ATOM 1972 C CB . ARG A 1 264 ? -33.879 -51.707 -111.927 1.00 48.71 ? 264 ARG A CB 1 ATOM 1973 C CG . ARG A 1 264 ? -35.212 -51.022 -111.670 1.00 51.44 ? 264 ARG A CG 1 ATOM 1974 C CD . ARG A 1 264 ? -36.386 -51.891 -112.103 1.00 53.37 ? 264 ARG A CD 1 ATOM 1975 N NE . ARG A 1 264 ? -37.641 -51.139 -112.086 1.00 56.61 ? 264 ARG A NE 1 ATOM 1976 C CZ . ARG A 1 264 ? -38.184 -50.537 -113.142 1.00 58.23 ? 264 ARG A CZ 1 ATOM 1977 N NH1 . ARG A 1 264 ? -37.597 -50.595 -114.332 1.00 57.63 ? 264 ARG A NH1 1 ATOM 1978 N NH2 . ARG A 1 264 ? -39.328 -49.879 -113.008 1.00 60.75 ? 264 ARG A NH2 1 ATOM 1979 N N . VAL A 1 265 ? -32.357 -49.123 -110.131 1.00 47.39 ? 265 VAL A N 1 ATOM 1980 C CA . VAL A 1 265 ? -31.966 -48.626 -108.811 1.00 46.79 ? 265 VAL A CA 1 ATOM 1981 C C . VAL A 1 265 ? -33.154 -48.017 -108.071 1.00 48.50 ? 265 VAL A C 1 ATOM 1982 O O . VAL A 1 265 ? -33.749 -47.044 -108.540 1.00 50.38 ? 265 VAL A O 1 ATOM 1983 C CB . VAL A 1 265 ? -30.837 -47.563 -108.908 1.00 46.33 ? 265 VAL A CB 1 ATOM 1984 C CG1 . VAL A 1 265 ? -30.449 -47.061 -107.526 1.00 45.96 ? 265 VAL A CG1 1 ATOM 1985 C CG2 . VAL A 1 265 ? -29.619 -48.125 -109.623 1.00 44.93 ? 265 VAL A CG2 1 ATOM 1986 N N . LYS A 1 266 ? -33.487 -48.585 -106.914 1.00 48.15 ? 266 LYS A N 1 ATOM 1987 C CA . LYS A 1 266 ? -34.530 -48.024 -106.058 1.00 49.81 ? 266 LYS A CA 1 ATOM 1988 C C . LYS A 1 266 ? -33.950 -47.423 -104.779 1.00 49.21 ? 266 LYS A C 1 ATOM 1989 O O . LYS A 1 266 ? -33.154 -48.065 -104.084 1.00 47.40 ? 266 LYS A O 1 ATOM 1990 C CB . LYS A 1 266 ? -35.595 -49.071 -105.732 1.00 50.78 ? 266 LYS A CB 1 ATOM 1991 C CG . LYS A 1 266 ? -36.478 -49.409 -106.909 1.00 52.41 ? 266 LYS A CG 1 ATOM 1992 C CD . LYS A 1 266 ? -37.525 -50.450 -106.577 1.00 54.08 ? 266 LYS A CD 1 ATOM 1993 C CE . LYS A 1 266 ? -38.042 -51.079 -107.859 1.00 55.39 ? 266 LYS A CE 1 ATOM 1994 N NZ . LYS A 1 266 ? -39.385 -51.690 -107.697 1.00 58.91 ? 266 LYS A NZ 1 ATOM 1995 N N . HIS A 1 267 ? -34.352 -46.182 -104.493 1.00 50.60 ? 267 HIS A N 1 ATOM 1996 C CA . HIS A 1 267 ? -33.917 -45.457 -103.298 1.00 50.59 ? 267 HIS A CA 1 ATOM 1997 C C . HIS A 1 267 ? -34.992 -44.494 -102.804 1.00 53.13 ? 267 HIS A C 1 ATOM 1998 O O . HIS A 1 267 ? -35.776 -43.959 -103.592 1.00 54.98 ? 267 HIS A O 1 ATOM 1999 C CB . HIS A 1 267 ? -32.608 -44.698 -103.562 1.00 49.46 ? 267 HIS A CB 1 ATOM 2000 C CG . HIS A 1 267 ? -31.919 -44.224 -102.317 1.00 48.97 ? 267 HIS A CG 1 ATOM 2001 N ND1 . HIS A 1 267 ? -31.930 -42.905 -101.914 1.00 49.86 ? 267 HIS A ND1 1 ATOM 2002 C CD2 . HIS A 1 267 ? -31.205 -44.896 -101.382 1.00 47.37 ? 267 HIS A CD2 1 ATOM 2003 C CE1 . HIS A 1 267 ? -31.251 -42.785 -100.787 1.00 49.12 ? 267 HIS A CE1 1 ATOM 2004 N NE2 . HIS A 1 267 ? -30.801 -43.978 -100.443 1.00 47.86 ? 267 HIS A NE2 1 ATOM 2005 N N . SER A 1 268 ? -35.009 -44.275 -101.491 1.00 53.60 ? 268 SER A N 1 ATOM 2006 C CA . SER A 1 268 ? -35.963 -43.379 -100.836 1.00 56.03 ? 268 SER A CA 1 ATOM 2007 C C . SER A 1 268 ? -35.996 -41.967 -101.419 1.00 57.49 ? 268 SER A C 1 ATOM 2008 O O . SER A 1 268 ? -37.072 -41.396 -101.597 1.00 59.96 ? 268 SER A O 1 ATOM 2009 C CB . SER A 1 268 ? -35.665 -43.303 -99.338 1.00 55.94 ? 268 SER A CB 1 ATOM 2010 O OG . SER A 1 268 ? -34.376 -42.765 -99.108 1.00 54.40 ? 268 SER A OG 1 ATOM 2011 N N . SER A 1 269 ? -34.822 -41.415 -101.717 1.00 56.38 ? 269 SER A N 1 ATOM 2012 C CA . SER A 1 269 ? -34.700 -40.022 -102.171 1.00 58.17 ? 269 SER A CA 1 ATOM 2013 C C . SER A 1 269 ? -35.248 -39.781 -103.579 1.00 59.46 ? 269 SER A C 1 ATOM 2014 O O . SER A 1 269 ? -35.326 -38.635 -104.034 1.00 61.20 ? 269 SER A O 1 ATOM 2015 C CB . SER A 1 269 ? -33.244 -39.549 -102.090 1.00 56.78 ? 269 SER A CB 1 ATOM 2016 O OG . SER A 1 269 ? -32.415 -40.300 -102.963 1.00 55.16 ? 269 SER A OG 1 ATOM 2017 N N . LEU A 1 270 ? -35.623 -40.863 -104.258 1.00 58.84 ? 270 LEU A N 1 ATOM 2018 C CA . LEU A 1 270 ? -36.200 -40.781 -105.597 1.00 60.24 ? 270 LEU A CA 1 ATOM 2019 C C . LEU A 1 270 ? -37.726 -40.684 -105.536 1.00 63.19 ? 270 LEU A C 1 ATOM 2020 O O . LEU A 1 270 ? -38.347 -40.011 -106.365 1.00 65.50 ? 270 LEU A O 1 ATOM 2021 C CB . LEU A 1 270 ? -35.756 -41.977 -106.444 1.00 58.09 ? 270 LEU A CB 1 ATOM 2022 C CG . LEU A 1 270 ? -34.241 -42.182 -106.561 1.00 55.30 ? 270 LEU A CG 1 ATOM 2023 C CD1 . LEU A 1 270 ? -33.930 -43.597 -107.002 1.00 53.93 ? 270 LEU A CD1 1 ATOM 2024 C CD2 . LEU A 1 270 ? -33.592 -41.173 -107.496 1.00 55.56 ? 270 LEU A CD2 1 ATOM 2025 N N . GLY A 1 271 ? -38.314 -41.358 -104.547 1.00 63.40 ? 271 GLY A N 1 ATOM 2026 C CA . GLY A 1 271 ? -39.753 -41.300 -104.289 1.00 66.39 ? 271 GLY A CA 1 ATOM 2027 C C . GLY A 1 271 ? -40.614 -41.944 -105.360 1.00 67.72 ? 271 GLY A C 1 ATOM 2028 O O . GLY A 1 271 ? -41.715 -41.466 -105.640 1.00 70.91 ? 271 GLY A O 1 ATOM 2029 N N . GLY A 1 272 ? -40.116 -43.026 -105.956 1.00 65.53 ? 272 GLY A N 1 ATOM 2030 C CA . GLY A 1 272 ? -40.846 -43.740 -107.002 1.00 66.49 ? 272 GLY A CA 1 ATOM 2031 C C . GLY A 1 272 ? -40.151 -43.728 -108.352 1.00 65.47 ? 272 GLY A C 1 ATOM 2032 O O . GLY A 1 272 ? -40.148 -44.736 -109.061 1.00 64.70 ? 272 GLY A O 1 ATOM 2033 N N . GLN A 1 273 ? -39.564 -42.586 -108.706 1.00 65.68 ? 273 GLN A N 1 ATOM 2034 C CA . GLN A 1 273 ? -38.894 -42.417 -109.999 1.00 65.12 ? 273 GLN A CA 1 ATOM 2035 C C . GLN A 1 273 ? -37.533 -43.130 -110.041 1.00 61.70 ? 273 GLN A C 1 ATOM 2036 O O . GLN A 1 273 ? -36.481 -42.498 -109.894 1.00 60.54 ? 273 GLN A O 1 ATOM 2037 C CB . GLN A 1 273 ? -38.753 -40.926 -110.342 1.00 66.98 ? 273 GLN A CB 1 ATOM 2038 C CG . GLN A 1 273 ? -40.057 -40.236 -110.721 1.00 70.56 ? 273 GLN A CG 1 ATOM 2039 N N . ASP A 1 274 ? -37.568 -44.446 -110.255 1.00 60.39 ? 274 ASP A N 1 ATOM 2040 C CA . ASP A 1 274 ? -36.367 -45.289 -110.212 1.00 57.43 ? 274 ASP A CA 1 ATOM 2041 C C . ASP A 1 274 ? -35.411 -45.031 -111.365 1.00 56.73 ? 274 ASP A C 1 ATOM 2042 O O . ASP A 1 274 ? -35.837 -44.778 -112.495 1.00 58.55 ? 274 ASP A O 1 ATOM 2043 C CB . ASP A 1 274 ? -36.742 -46.770 -110.226 1.00 56.78 ? 274 ASP A CB 1 ATOM 2044 C CG . ASP A 1 274 ? -37.733 -47.136 -109.148 1.00 58.38 ? 274 ASP A CG 1 ATOM 2045 O OD1 . ASP A 1 274 ? -37.814 -46.425 -108.120 1.00 59.37 ? 274 ASP A OD1 1 ATOM 2046 O OD2 . ASP A 1 274 ? -38.429 -48.157 -109.331 1.00 59.64 ? 274 ASP A OD2 1 ATOM 2047 N N . ILE A 1 275 ? -34.117 -45.115 -111.074 1.00 54.44 ? 275 ILE A N 1 ATOM 2048 C CA . ILE A 1 275 ? -33.086 -44.995 -112.097 1.00 53.73 ? 275 ILE A CA 1 ATOM 2049 C C . ILE A 1 275 ? -33.014 -46.290 -112.907 1.00 52.75 ? 275 ILE A C 1 ATOM 2050 O O . ILE A 1 275 ? -32.850 -47.381 -112.349 1.00 51.17 ? 275 ILE A O 1 ATOM 2051 C CB . ILE A 1 275 ? -31.711 -44.654 -111.477 1.00 52.07 ? 275 ILE A CB 1 ATOM 2052 C CG1 . ILE A 1 275 ? -31.759 -43.280 -110.802 1.00 53.56 ? 275 ILE A CG1 1 ATOM 2053 C CG2 . ILE A 1 275 ? -30.612 -44.680 -112.537 1.00 51.53 ? 275 ILE A CG2 1 ATOM 2054 C CD1 . ILE A 1 275 ? -30.786 -43.122 -109.644 1.00 52.40 ? 275 ILE A CD1 1 ATOM 2055 N N . ILE A 1 276 ? -33.165 -46.161 -114.223 1.00 53.93 ? 276 ILE A N 1 ATOM 2056 C CA . ILE A 1 276 ? -33.076 -47.306 -115.125 1.00 53.27 ? 276 ILE A CA 1 ATOM 2057 C C . ILE A 1 276 ? -32.035 -47.038 -116.215 1.00 53.06 ? 276 ILE A C 1 ATOM 2058 O O . ILE A 1 276 ? -32.290 -46.281 -117.155 1.00 55.06 ? 276 ILE A O 1 ATOM 2059 C CB . ILE A 1 276 ? -34.443 -47.660 -115.785 1.00 55.41 ? 276 ILE A CB 1 ATOM 2060 C CG1 . ILE A 1 276 ? -35.628 -47.286 -114.885 1.00 56.79 ? 276 ILE A CG1 1 ATOM 2061 C CG2 . ILE A 1 276 ? -34.490 -49.141 -116.149 1.00 54.43 ? 276 ILE A CG2 1 ATOM 2062 N N . LEU A 1 277 ? -30.862 -47.652 -116.074 1.00 50.82 ? 277 LEU A N 1 ATOM 2063 C CA . LEU A 1 277 ? -29.823 -47.560 -117.088 1.00 50.56 ? 277 LEU A CA 1 ATOM 2064 C C . LEU A 1 277 ? -29.920 -48.756 -118.014 1.00 50.58 ? 277 LEU A C 1 ATOM 2065 O O . LEU A 1 277 ? -29.855 -49.908 -117.569 1.00 49.15 ? 277 LEU A O 1 ATOM 2066 C CB . LEU A 1 277 ? -28.433 -47.502 -116.459 1.00 48.67 ? 277 LEU A CB 1 ATOM 2067 C CG . LEU A 1 277 ? -28.129 -46.385 -115.457 1.00 49.00 ? 277 LEU A CG 1 ATOM 2068 C CD1 . LEU A 1 277 ? -26.740 -46.584 -114.881 1.00 47.44 ? 277 LEU A CD1 1 ATOM 2069 C CD2 . LEU A 1 277 ? -28.263 -44.989 -116.070 1.00 51.35 ? 277 LEU A CD2 1 ATOM 2070 N N . TYR A 1 278 ? -30.088 -48.473 -119.303 1.00 52.40 ? 278 TYR A N 1 ATOM 2071 C CA . TYR A 1 278 ? -30.167 -49.509 -120.324 1.00 52.57 ? 278 TYR A CA 1 ATOM 2072 C C . TYR A 1 278 ? -28.825 -49.708 -121.007 1.00 51.76 ? 278 TYR A C 1 ATOM 2073 O O . TYR A 1 278 ? -28.251 -48.762 -121.556 1.00 52.59 ? 278 TYR A O 1 ATOM 2074 C CB . TYR A 1 278 ? -31.244 -49.169 -121.355 1.00 55.36 ? 278 TYR A CB 1 ATOM 2075 C CG . TYR A 1 278 ? -32.651 -49.400 -120.855 1.00 57.03 ? 278 TYR A CG 1 ATOM 2076 C CD1 . TYR A 1 278 ? -33.420 -48.345 -120.352 1.00 58.96 ? 278 TYR A CD1 1 ATOM 2077 C CD2 . TYR A 1 278 ? -33.215 -50.680 -120.881 1.00 57.26 ? 278 TYR A CD2 1 ATOM 2078 C CE1 . TYR A 1 278 ? -34.717 -48.563 -119.890 1.00 60.61 ? 278 TYR A CE1 1 ATOM 2079 C CE2 . TYR A 1 278 ? -34.505 -50.909 -120.422 1.00 58.66 ? 278 TYR A CE2 1 ATOM 2080 C CZ . TYR A 1 278 ? -35.249 -49.852 -119.928 1.00 60.55 ? 278 TYR A CZ 1 ATOM 2081 O OH . TYR A 1 278 ? -36.526 -50.093 -119.477 1.00 62.79 ? 278 TYR A OH 1 ATOM 2082 N N . TRP A 1 279 ? -28.329 -50.944 -120.954 1.00 50.24 ? 279 TRP A N 1 ATOM 2083 C CA . TRP A 1 279 ? -27.093 -51.313 -121.636 1.00 49.81 ? 279 TRP A CA 1 ATOM 2084 C C . TRP A 1 279 ? -27.238 -51.142 -123.150 1.00 51.74 ? 279 TRP A C 1 ATOM 2085 O O . TRP A 1 279 ? -27.934 -51.919 -123.813 1.00 52.39 ? 279 TRP A O 1 ATOM 2086 C CB . TRP A 1 279 ? -26.680 -52.746 -121.298 1.00 48.15 ? 279 TRP A CB 1 ATOM 2087 C CG . TRP A 1 279 ? -25.348 -53.108 -121.883 1.00 48.62 ? 279 TRP A CG 1 ATOM 2088 C CD1 . TRP A 1 279 ? -25.110 -53.675 -123.106 1.00 49.89 ? 279 TRP A CD1 1 ATOM 2089 C CD2 . TRP A 1 279 ? -24.065 -52.906 -121.280 1.00 48.43 ? 279 TRP A CD2 1 ATOM 2090 N NE1 . TRP A 1 279 ? -23.763 -53.848 -123.296 1.00 49.74 ? 279 TRP A NE1 1 ATOM 2091 C CE2 . TRP A 1 279 ? -23.096 -53.383 -122.192 1.00 49.16 ? 279 TRP A CE2 1 ATOM 2092 C CE3 . TRP A 1 279 ? -23.638 -52.379 -120.052 1.00 47.28 ? 279 TRP A CE3 1 ATOM 2093 C CZ2 . TRP A 1 279 ? -21.722 -53.341 -121.917 1.00 48.94 ? 279 TRP A CZ2 1 ATOM 2094 C CZ3 . TRP A 1 279 ? -22.275 -52.338 -119.780 1.00 46.87 ? 279 TRP A CZ3 1 ATOM 2095 C CH2 . TRP A 1 279 ? -21.334 -52.812 -120.711 1.00 47.75 ? 279 TRP A CH2 1 ATOM 2096 N N . GLY A 1 280 ? -26.590 -50.105 -123.677 1.00 52.76 ? 280 GLY A N 1 ATOM 2097 C CA . GLY A 1 280 ? -26.569 -49.843 -125.112 1.00 54.71 ? 280 GLY A CA 1 ATOM 2098 C C . GLY A 1 280 ? -27.355 -48.625 -125.548 1.00 56.90 ? 280 GLY A C 1 ATOM 2099 O O . GLY A 1 280 ? -27.463 -48.353 -126.742 1.00 58.92 ? 280 GLY A O 1 ATOM 2100 N N . SER A 1 281 ? -27.905 -47.898 -124.580 1.00 56.70 ? 281 SER A N 1 ATOM 2101 C CA . SER A 1 281 ? -28.634 -46.661 -124.855 1.00 59.32 ? 281 SER A CA 1 ATOM 2102 C C . SER A 1 281 ? -27.703 -45.536 -125.308 1.00 60.80 ? 281 SER A C 1 ATOM 2103 O O . SER A 1 281 ? -26.527 -45.505 -124.937 1.00 59.40 ? 281 SER A O 1 ATOM 2104 C CB . SER A 1 281 ? -29.422 -46.217 -123.619 1.00 58.79 ? 281 SER A CB 1 ATOM 2105 O OG . SER A 1 281 ? -28.563 -45.724 -122.606 1.00 57.08 ? 281 SER A OG 1 ATOM 2106 N N . LEU A 1 282 ? -28.239 -44.609 -126.099 1.00 63.94 ? 282 LEU A N 1 ATOM 2107 C CA . LEU A 1 282 ? -27.491 -43.425 -126.535 1.00 66.14 ? 282 LEU A CA 1 ATOM 2108 C C . LEU A 1 282 ? -26.820 -42.700 -125.360 1.00 64.96 ? 282 LEU A C 1 ATOM 2109 O O . LEU A 1 282 ? -25.809 -42.023 -125.542 1.00 65.72 ? 282 LEU A O 1 ATOM 2110 C CB . LEU A 1 282 ? -28.398 -42.463 -127.313 1.00 69.73 ? 282 LEU A CB 1 ATOM 2111 N N . HIS A 1 283 ? -27.386 -42.863 -124.165 1.00 63.34 ? 283 HIS A N 1 ATOM 2112 C CA . HIS A 1 283 ? -26.813 -42.319 -122.934 1.00 62.17 ? 283 HIS A CA 1 ATOM 2113 C C . HIS A 1 283 ? -25.626 -43.147 -122.413 1.00 59.60 ? 283 HIS A C 1 ATOM 2114 O O . HIS A 1 283 ? -24.611 -42.580 -121.997 1.00 59.38 ? 283 HIS A O 1 ATOM 2115 C CB . HIS A 1 283 ? -27.894 -42.183 -121.855 1.00 61.62 ? 283 HIS A CB 1 ATOM 2116 C CG . HIS A 1 283 ? -27.412 -41.538 -120.592 0.70 60.77 ? 283 HIS A CG 1 ATOM 2117 N ND1 . HIS A 1 283 ? -26.910 -42.263 -119.532 0.70 58.32 ? 283 HIS A ND1 1 ATOM 2118 C CD2 . HIS A 1 283 ? -27.350 -40.237 -120.222 0.70 62.31 ? 283 HIS A CD2 1 ATOM 2119 C CE1 . HIS A 1 283 ? -26.560 -41.435 -118.563 0.70 58.20 ? 283 HIS A CE1 1 ATOM 2120 N NE2 . HIS A 1 283 ? -26.819 -40.201 -118.955 0.70 60.44 ? 283 HIS A NE2 1 ATOM 2121 N N . HIS A 1 284 ? -25.764 -44.476 -122.429 1.00 57.94 ? 284 HIS A N 1 ATOM 2122 C CA . HIS A 1 284 ? -24.685 -45.391 -122.025 1.00 55.78 ? 284 HIS A CA 1 ATOM 2123 C C . HIS A 1 284 ? -23.485 -45.257 -122.954 1.00 57.04 ? 284 HIS A C 1 ATOM 2124 O O . HIS A 1 284 ? -22.340 -45.262 -122.495 1.00 56.21 ? 284 HIS A O 1 ATOM 2125 C CB . HIS A 1 284 ? -25.189 -46.841 -121.985 1.00 54.11 ? 284 HIS A CB 1 ATOM 2126 C CG . HIS A 1 284 ? -24.114 -47.872 -121.782 1.00 52.10 ? 284 HIS A CG 1 ATOM 2127 N ND1 . HIS A 1 284 ? -22.900 -47.590 -121.193 1.00 51.28 ? 284 HIS A ND1 1 ATOM 2128 C CD2 . HIS A 1 284 ? -24.095 -49.198 -122.057 1.00 50.76 ? 284 HIS A CD2 1 ATOM 2129 C CE1 . HIS A 1 284 ? -22.171 -48.691 -121.137 1.00 49.29 ? 284 HIS A CE1 1 ATOM 2130 N NE2 . HIS A 1 284 ? -22.875 -49.682 -121.652 1.00 49.01 ? 284 HIS A NE2 1 ATOM 2131 N N . ILE A 1 285 ? -23.765 -45.129 -124.251 1.00 59.34 ? 285 ILE A N 1 ATOM 2132 C CA . ILE A 1 285 ? -22.741 -44.909 -125.272 1.00 61.17 ? 285 ILE A CA 1 ATOM 2133 C C . ILE A 1 285 ? -21.985 -43.592 -125.049 1.00 62.84 ? 285 ILE A C 1 ATOM 2134 O O . ILE A 1 285 ? -20.753 -43.582 -125.057 1.00 62.87 ? 285 ILE A O 1 ATOM 2135 C CB . ILE A 1 285 ? -23.343 -44.960 -126.704 1.00 63.56 ? 285 ILE A CB 1 ATOM 2136 C CG1 . ILE A 1 285 ? -23.937 -46.341 -126.991 1.00 62.18 ? 285 ILE A CG1 1 ATOM 2137 C CG2 . ILE A 1 285 ? -22.293 -44.620 -127.760 1.00 65.58 ? 285 ILE A CG2 1 ATOM 2138 N N . LEU A 1 286 ? -22.718 -42.496 -124.841 1.00 64.59 ? 286 LEU A N 1 ATOM 2139 C CA . LEU A 1 286 ? -22.102 -41.180 -124.601 1.00 66.66 ? 286 LEU A CA 1 ATOM 2140 C C . LEU A 1 286 ? -21.240 -41.148 -123.338 1.00 64.94 ? 286 LEU A C 1 ATOM 2141 O O . LEU A 1 286 ? -20.199 -40.488 -123.309 1.00 66.21 ? 286 LEU A O 1 ATOM 2142 C CB . LEU A 1 286 ? -23.156 -40.064 -124.537 1.00 68.60 ? 286 LEU A CB 1 ATOM 2143 C CG . LEU A 1 286 ? -23.801 -39.559 -125.833 1.00 71.87 ? 286 LEU A CG 1 ATOM 2144 C CD1 . LEU A 1 286 ? -25.014 -38.692 -125.517 1.00 73.34 ? 286 LEU A CD1 1 ATOM 2145 C CD2 . LEU A 1 286 ? -22.810 -38.808 -126.717 1.00 74.60 ? 286 LEU A CD2 1 ATOM 2146 N N . ASP A 1 287 ? -21.680 -41.857 -122.303 1.00 62.49 ? 287 ASP A N 1 ATOM 2147 C CA . ASP A 1 287 ? -20.927 -41.954 -121.056 1.00 60.96 ? 287 ASP A CA 1 ATOM 2148 C C . ASP A 1 287 ? -19.614 -42.721 -121.233 1.00 60.31 ? 287 ASP A C 1 ATOM 2149 O O . ASP A 1 287 ? -18.568 -42.284 -120.749 1.00 60.61 ? 287 ASP A O 1 ATOM 2150 C CB . ASP A 1 287 ? -21.775 -42.619 -119.961 1.00 58.72 ? 287 ASP A CB 1 ATOM 2151 C CG . ASP A 1 287 ? -22.688 -41.639 -119.236 0.70 59.41 ? 287 ASP A CG 1 ATOM 2152 O OD1 . ASP A 1 287 ? -22.742 -40.448 -119.622 0.70 61.99 ? 287 ASP A OD1 1 ATOM 2153 O OD2 . ASP A 1 287 ? -23.355 -42.073 -118.269 0.70 57.54 ? 287 ASP A OD2 1 ATOM 2154 N N . ALA A 1 288 ? -19.683 -43.859 -121.928 1.00 59.68 ? 288 ALA A N 1 ATOM 2155 C CA . ALA A 1 288 ? -18.535 -44.759 -122.108 1.00 59.04 ? 288 ALA A CA 1 ATOM 2156 C C . ALA A 1 288 ? -17.355 -44.133 -122.868 1.00 61.40 ? 288 ALA A C 1 ATOM 2157 O O . ALA A 1 288 ? -16.192 -44.383 -122.528 1.00 61.16 ? 288 ALA A O 1 ATOM 2158 C CB . ALA A 1 288 ? -18.977 -46.057 -122.778 1.00 58.06 ? 288 ALA A CB 1 ATOM 2159 N N . GLN A 1 289 ? -17.654 -43.333 -123.891 1.00 63.83 ? 289 GLN A N 1 ATOM 2160 C CA . GLN A 1 289 ? -16.612 -42.628 -124.643 1.00 66.56 ? 289 GLN A CA 1 ATOM 2161 C C . GLN A 1 289 ? -16.004 -41.469 -123.844 1.00 67.42 ? 289 GLN A C 1 ATOM 2162 O O . GLN A 1 289 ? -14.901 -41.011 -124.148 1.00 69.40 ? 289 GLN A O 1 ATOM 2163 C CB . GLN A 1 289 ? -17.110 -42.171 -126.028 1.00 69.34 ? 289 GLN A CB 1 ATOM 2164 C CG . GLN A 1 289 ? -18.399 -41.343 -126.033 1.00 70.57 ? 289 GLN A CG 1 ATOM 2165 C CD . GLN A 1 289 ? -18.985 -41.152 -127.429 1.00 73.58 ? 289 GLN A CD 1 ATOM 2166 O OE1 . GLN A 1 289 ? -18.862 -42.019 -128.302 1.00 73.61 ? 289 GLN A OE1 1 ATOM 2167 N NE2 . GLN A 1 289 ? -19.635 -40.010 -127.642 1.00 76.20 ? 289 GLN A NE2 1 ATOM 2168 N N . LYS A 1 290 ? -16.722 -41.013 -122.819 1.00 66.09 ? 290 LYS A N 1 ATOM 2169 C CA . LYS A 1 290 ? -16.199 -40.009 -121.891 1.00 66.74 ? 290 LYS A CA 1 ATOM 2170 C C . LYS A 1 290 ? -15.248 -40.621 -120.853 1.00 64.77 ? 290 LYS A C 1 ATOM 2171 O O . LYS A 1 290 ? -14.549 -39.900 -120.137 1.00 65.62 ? 290 LYS A O 1 ATOM 2172 C CB . LYS A 1 290 ? -17.340 -39.251 -121.200 1.00 66.58 ? 290 LYS A CB 1 ATOM 2173 C CG . LYS A 1 290 ? -18.002 -38.186 -122.066 1.00 69.47 ? 290 LYS A CG 1 ATOM 2174 C CD . LYS A 1 290 ? -19.215 -37.587 -121.374 1.00 69.20 ? 290 LYS A CD 1 ATOM 2175 N N . MET A 1 291 ? -15.229 -41.950 -120.780 1.00 62.40 ? 291 MET A N 1 ATOM 2176 C CA . MET A 1 291 ? -14.329 -42.672 -119.884 1.00 60.77 ? 291 MET A CA 1 ATOM 2177 C C . MET A 1 291 ? -13.548 -43.758 -120.616 1.00 60.68 ? 291 MET A C 1 ATOM 2178 O O . MET A 1 291 ? -13.797 -44.956 -120.442 1.00 58.93 ? 291 MET A O 1 ATOM 2179 C CB . MET A 1 291 ? -15.078 -43.252 -118.676 1.00 58.03 ? 291 MET A CB 1 ATOM 2180 C CG . MET A 1 291 ? -16.394 -43.956 -118.986 1.00 56.78 ? 291 MET A CG 1 ATOM 2181 S SD . MET A 1 291 ? -17.223 -44.556 -117.499 1.00 54.87 ? 291 MET A SD 1 ATOM 2182 C CE . MET A 1 291 ? -16.288 -46.050 -117.149 1.00 53.04 ? 291 MET A CE 1 ATOM 2183 N N . VAL A 1 292 ? -12.608 -43.330 -121.447 1.00 62.95 ? 292 VAL A N 1 ATOM 2184 C CA . VAL A 1 292 ? -11.698 -44.256 -122.110 1.00 63.27 ? 292 VAL A CA 1 ATOM 2185 C C . VAL A 1 292 ? -10.278 -44.017 -121.621 1.00 64.58 ? 292 VAL A C 1 ATOM 2186 O O . VAL A 1 292 ? -9.959 -42.924 -121.162 1.00 66.01 ? 292 VAL A O 1 ATOM 2187 C CB . VAL A 1 292 ? -11.786 -44.169 -123.646 1.00 65.40 ? 292 VAL A CB 1 ATOM 2188 C CG1 . VAL A 1 292 ? -12.924 -45.047 -124.150 1.00 63.64 ? 292 VAL A CG1 1 ATOM 2189 C CG2 . VAL A 1 292 ? -11.942 -42.712 -124.115 1.00 67.80 ? 292 VAL A CG2 1 ATOM 2190 N N . TRP A 1 293 ? -9.437 -45.045 -121.707 1.00 64.36 ? 293 TRP A N 1 ATOM 2191 C CA . TRP A 1 293 ? -8.100 -45.000 -121.117 1.00 65.61 ? 293 TRP A CA 1 ATOM 2192 C C . TRP A 1 293 ? -7.193 -46.124 -121.625 1.00 66.22 ? 293 TRP A C 1 ATOM 2193 O O . TRP A 1 293 ? -7.675 -47.121 -122.169 1.00 64.91 ? 293 TRP A O 1 ATOM 2194 C CB . TRP A 1 293 ? -8.195 -45.028 -119.579 1.00 63.72 ? 293 TRP A CB 1 ATOM 2195 C CG . TRP A 1 293 ? -8.751 -46.306 -119.010 1.00 60.64 ? 293 TRP A CG 1 ATOM 2196 C CD1 . TRP A 1 293 ? -9.957 -46.879 -119.297 1.00 58.48 ? 293 TRP A CD1 1 ATOM 2197 C CD2 . TRP A 1 293 ? -8.123 -47.159 -118.046 1.00 59.77 ? 293 TRP A CD2 1 ATOM 2198 N NE1 . TRP A 1 293 ? -10.113 -48.038 -118.582 1.00 56.56 ? 293 TRP A NE1 1 ATOM 2199 C CE2 . TRP A 1 293 ? -9.003 -48.235 -117.806 1.00 57.25 ? 293 TRP A CE2 1 ATOM 2200 C CE3 . TRP A 1 293 ? -6.898 -47.120 -117.365 1.00 61.38 ? 293 TRP A CE3 1 ATOM 2201 C CZ2 . TRP A 1 293 ? -8.699 -49.268 -116.912 1.00 56.13 ? 293 TRP A CZ2 1 ATOM 2202 C CZ3 . TRP A 1 293 ? -6.596 -48.148 -116.473 1.00 59.98 ? 293 TRP A CZ3 1 ATOM 2203 C CH2 . TRP A 1 293 ? -7.495 -49.205 -116.256 1.00 57.46 ? 293 TRP A CH2 1 ATOM 2204 N N . ASN A 1 294 ? -5.885 -45.957 -121.425 1.00 68.37 ? 294 ASN A N 1 ATOM 2205 C CA . ASN A 1 294 ? -4.874 -46.910 -121.902 1.00 69.72 ? 294 ASN A CA 1 ATOM 2206 C C . ASN A 1 294 ? -4.982 -48.344 -121.341 1.00 67.42 ? 294 ASN A C 1 ATOM 2207 O O . ASN A 1 294 ? -4.288 -49.253 -121.810 1.00 68.32 ? 294 ASN A O 1 ATOM 2208 C CB . ASN A 1 294 ? -3.457 -46.340 -121.695 1.00 72.80 ? 294 ASN A CB 1 ATOM 2209 C CG . ASN A 1 294 ? -3.079 -46.190 -120.220 1.00 71.99 ? 294 ASN A CG 1 ATOM 2210 O OD1 . ASN A 1 294 ? -3.913 -46.332 -119.322 1.00 69.02 ? 294 ASN A OD1 1 ATOM 2211 N ND2 . ASN A 1 294 ? -1.807 -45.898 -119.971 1.00 74.41 ? 294 ASN A ND2 1 ATOM 2212 N N . HIS A 1 295 ? -5.854 -48.525 -120.347 1.00 64.75 ? 295 HIS A N 1 ATOM 2213 C CA . HIS A 1 295 ? -6.142 -49.830 -119.727 1.00 62.61 ? 295 HIS A CA 1 ATOM 2214 C C . HIS A 1 295 ? -4.948 -50.494 -119.024 1.00 63.68 ? 295 HIS A C 1 ATOM 2215 O O . HIS A 1 295 ? -4.829 -51.724 -119.008 1.00 63.06 ? 295 HIS A O 1 ATOM 2216 C CB . HIS A 1 295 ? -6.813 -50.794 -120.722 1.00 61.70 ? 295 HIS A CB 1 ATOM 2217 C CG . HIS A 1 295 ? -8.300 -50.633 -120.816 1.00 59.70 ? 295 HIS A CG 1 ATOM 2218 N ND1 . HIS A 1 295 ? -8.897 -49.573 -121.465 1.00 60.70 ? 295 HIS A ND1 1 ATOM 2219 C CD2 . HIS A 1 295 ? -9.311 -51.406 -120.352 1.00 57.27 ? 295 HIS A CD2 1 ATOM 2220 C CE1 . HIS A 1 295 ? -10.211 -49.697 -121.391 1.00 58.74 ? 295 HIS A CE1 1 ATOM 2221 N NE2 . HIS A 1 295 ? -10.488 -50.800 -120.719 1.00 56.33 ? 295 HIS A NE2 1 ATOM 2222 N N . ARG A 1 296 ? -4.075 -49.672 -118.445 1.00 65.63 ? 296 ARG A N 1 ATOM 2223 C CA . ARG A 1 296 ? -3.031 -50.149 -117.532 1.00 66.82 ? 296 ARG A CA 1 ATOM 2224 C C . ARG A 1 296 ? -2.941 -49.247 -116.286 1.00 67.03 ? 296 ARG A C 1 ATOM 2225 O O . ARG A 1 296 ? -3.094 -48.026 -116.391 1.00 68.04 ? 296 ARG A O 1 ATOM 2226 C CB . ARG A 1 296 ? -1.673 -50.278 -118.247 1.00 70.17 ? 296 ARG A CB 1 ATOM 2227 C CG . ARG A 1 296 ? -0.957 -48.969 -118.571 1.00 73.04 ? 296 ARG A CG 1 ATOM 2228 C CD . ARG A 1 296 ? 0.465 -49.221 -119.062 1.00 76.49 ? 296 ARG A CD 1 ATOM 2229 N NE . ARG A 1 296 ? 1.325 -48.056 -118.876 0.70 79.30 ? 296 ARG A NE 1 ATOM 2230 N N . HIS A 1 297 ? -2.719 -49.825 -115.105 1.00 66.45 ? 297 HIS A N 1 ATOM 2231 C CA . HIS A 1 297 ? -2.584 -51.263 -114.906 1.00 65.78 ? 297 HIS A CA 1 ATOM 2232 C C . HIS A 1 297 ? -3.908 -51.817 -114.387 1.00 62.71 ? 297 HIS A C 1 ATOM 2233 O O . HIS A 1 297 ? -4.173 -51.789 -113.182 1.00 61.69 ? 297 HIS A O 1 ATOM 2234 C CB . HIS A 1 297 ? -1.461 -51.574 -113.901 1.00 67.48 ? 297 HIS A CB 1 ATOM 2235 C CG . HIS A 1 297 ? -0.201 -50.790 -114.120 1.00 70.45 ? 297 HIS A CG 1 ATOM 2236 N ND1 . HIS A 1 297 ? -0.089 -49.454 -113.799 1.00 70.87 ? 297 HIS A ND1 1 ATOM 2237 C CD2 . HIS A 1 297 ? 1.008 -51.163 -114.601 1.00 72.96 ? 297 HIS A CD2 1 ATOM 2238 C CE1 . HIS A 1 297 ? 1.129 -49.034 -114.088 1.00 74.13 ? 297 HIS A CE1 1 ATOM 2239 N NE2 . HIS A 1 297 ? 1.815 -50.052 -114.574 1.00 75.44 ? 297 HIS A NE2 1 ATOM 2240 N N . HIS A 1 298 ? -4.738 -52.308 -115.304 1.00 61.60 ? 298 HIS A N 1 ATOM 2241 C CA . HIS A 1 298 ? -6.026 -52.915 -114.961 1.00 58.97 ? 298 HIS A CA 1 ATOM 2242 C C . HIS A 1 298 ? -5.859 -54.141 -114.048 1.00 58.41 ? 298 HIS A C 1 ATOM 2243 O O . HIS A 1 298 ? -4.793 -54.763 -114.026 1.00 60.19 ? 298 HIS A O 1 ATOM 2244 C CB . HIS A 1 298 ? -6.769 -53.306 -116.242 1.00 58.34 ? 298 HIS A CB 1 ATOM 2245 C CG . HIS A 1 298 ? -6.125 -54.430 -116.996 1.00 59.76 ? 298 HIS A CG 1 ATOM 2246 N ND1 . HIS A 1 298 ? -5.005 -54.256 -117.782 1.00 62.60 ? 298 HIS A ND1 1 ATOM 2247 C CD2 . HIS A 1 298 ? -6.444 -55.744 -117.081 1.00 58.93 ? 298 HIS A CD2 1 ATOM 2248 C CE1 . HIS A 1 298 ? -4.661 -55.414 -118.318 1.00 63.16 ? 298 HIS A CE1 1 ATOM 2249 N NE2 . HIS A 1 298 ? -5.519 -56.333 -117.910 1.00 61.11 ? 298 HIS A NE2 1 ATOM 2250 N N . HIS A 1 299 ? -6.912 -54.475 -113.300 1.00 56.28 ? 299 HIS A N 1 ATOM 2251 C CA . HIS A 1 299 ? -6.911 -55.642 -112.410 1.00 55.80 ? 299 HIS A CA 1 ATOM 2252 C C . HIS A 1 299 ? -6.903 -56.954 -113.210 1.00 55.91 ? 299 HIS A C 1 ATOM 2253 O O . HIS A 1 299 ? -7.887 -57.299 -113.869 1.00 54.55 ? 299 HIS A O 1 ATOM 2254 C CB . HIS A 1 299 ? -8.110 -55.593 -111.452 1.00 53.59 ? 299 HIS A CB 1 ATOM 2255 N N . HIS A 1 300 ? -5.783 -57.671 -113.158 1.00 57.78 ? 300 HIS A N 1 ATOM 2256 C CA . HIS A 1 300 ? -5.614 -58.899 -113.935 1.00 58.39 ? 300 HIS A CA 1 ATOM 2257 C C . HIS A 1 300 ? -6.056 -60.133 -113.147 1.00 57.50 ? 300 HIS A C 1 ATOM 2258 O O . HIS A 1 300 ? -7.217 -60.542 -113.216 1.00 55.44 ? 300 HIS A O 1 ATOM 2259 C CB . HIS A 1 300 ? -4.163 -59.050 -114.410 1.00 61.26 ? 300 HIS A CB 1 ATOM 2260 N N . ILE B 2 1 ? -4.616 -63.433 -85.803 1.00 66.18 ? 1 ILE B N 1 ATOM 2261 C CA . ILE B 2 1 ? -3.138 -63.331 -85.605 1.00 68.10 ? 1 ILE B CA 1 ATOM 2262 C C . ILE B 2 1 ? -2.609 -61.987 -86.114 1.00 66.09 ? 1 ILE B C 1 ATOM 2263 O O . ILE B 2 1 ? -2.232 -61.121 -85.318 1.00 65.75 ? 1 ILE B O 1 ATOM 2264 C CB . ILE B 2 1 ? -2.379 -64.498 -86.291 1.00 71.14 ? 1 ILE B CB 1 ATOM 2265 N N . GLN B 2 2 ? -2.588 -61.827 -87.438 1.00 64.93 ? 2 GLN B N 1 ATOM 2266 C CA . GLN B 2 2 ? -2.164 -60.586 -88.077 1.00 63.00 ? 2 GLN B CA 1 ATOM 2267 C C . GLN B 2 2 ? -2.832 -60.473 -89.444 1.00 61.14 ? 2 GLN B C 1 ATOM 2268 O O . GLN B 2 2 ? -2.471 -61.183 -90.384 1.00 62.59 ? 2 GLN B O 1 ATOM 2269 C CB . GLN B 2 2 ? -0.640 -60.540 -88.206 1.00 65.39 ? 2 GLN B CB 1 ATOM 2270 C CG . GLN B 2 2 ? -0.055 -59.135 -88.163 1.00 64.34 ? 2 GLN B CG 1 ATOM 2271 C CD . GLN B 2 2 ? 1.459 -59.138 -88.070 1.00 67.16 ? 2 GLN B CD 1 ATOM 2272 O OE1 . GLN B 2 2 ? 2.142 -59.828 -88.831 1.00 69.04 ? 2 GLN B OE1 1 ATOM 2273 N NE2 . GLN B 2 2 ? 1.995 -58.360 -87.136 1.00 67.56 ? 2 GLN B NE2 1 ATOM 2274 N N . LYS B 2 3 ? -3.806 -59.572 -89.543 1.00 58.14 ? 3 LYS B N 1 ATOM 2275 C CA . LYS B 2 3 ? -4.679 -59.492 -90.711 1.00 56.36 ? 3 LYS B CA 1 ATOM 2276 C C . LYS B 2 3 ? -4.129 -58.586 -91.809 1.00 55.40 ? 3 LYS B C 1 ATOM 2277 O O . LYS B 2 3 ? -3.518 -57.555 -91.524 1.00 55.04 ? 3 LYS B O 1 ATOM 2278 C CB . LYS B 2 3 ? -6.086 -59.046 -90.293 1.00 54.35 ? 3 LYS B CB 1 ATOM 2279 C CG . LYS B 2 3 ? -6.740 -59.904 -89.198 1.00 55.67 ? 3 LYS B CG 1 ATOM 2280 C CD . LYS B 2 3 ? -6.935 -61.367 -89.631 1.00 58.62 ? 3 LYS B CD 1 ATOM 2281 C CE . LYS B 2 3 ? -7.698 -62.182 -88.584 1.00 60.06 ? 3 LYS B CE 1 ATOM 2282 N NZ . LYS B 2 3 ? -9.151 -61.823 -88.520 1.00 58.56 ? 3 LYS B NZ 1 ATOM 2283 N N . THR B 2 4 ? -4.366 -58.979 -93.061 1.00 55.19 ? 4 THR B N 1 ATOM 2284 C CA . THR B 2 4 ? -3.844 -58.276 -94.241 1.00 54.63 ? 4 THR B CA 1 ATOM 2285 C C . THR B 2 4 ? -4.852 -57.263 -94.811 1.00 51.98 ? 4 THR B C 1 ATOM 2286 O O . THR B 2 4 ? -6.020 -57.604 -95.021 1.00 50.98 ? 4 THR B O 1 ATOM 2287 C CB . THR B 2 4 ? -3.421 -59.285 -95.337 1.00 56.57 ? 4 THR B CB 1 ATOM 2288 O OG1 . THR B 2 4 ? -2.504 -60.231 -94.781 1.00 59.20 ? 4 THR B OG1 1 ATOM 2289 C CG2 . THR B 2 4 ? -2.749 -58.586 -96.503 1.00 56.83 ? 4 THR B CG2 1 ATOM 2290 N N . PRO B 2 5 ? -4.397 -56.019 -95.070 1.00 51.08 ? 5 PRO B N 1 ATOM 2291 C CA . PRO B 2 5 ? -5.254 -54.935 -95.560 1.00 48.99 ? 5 PRO B CA 1 ATOM 2292 C C . PRO B 2 5 ? -5.789 -55.135 -96.978 1.00 48.59 ? 5 PRO B C 1 ATOM 2293 O O . PRO B 2 5 ? -5.023 -55.437 -97.895 1.00 49.88 ? 5 PRO B O 1 ATOM 2294 C CB . PRO B 2 5 ? -4.325 -53.717 -95.525 1.00 49.21 ? 5 PRO B CB 1 ATOM 2295 C CG . PRO B 2 5 ? -2.962 -54.281 -95.627 1.00 51.49 ? 5 PRO B CG 1 ATOM 2296 C CD . PRO B 2 5 ? -3.019 -55.550 -94.841 1.00 52.47 ? 5 PRO B CD 1 ATOM 2297 N N . GLN B 2 6 ? -7.097 -54.956 -97.146 1.00 47.08 ? 6 GLN B N 1 ATOM 2298 C CA . GLN B 2 6 ? -7.721 -54.980 -98.469 1.00 46.88 ? 6 GLN B CA 1 ATOM 2299 C C . GLN B 2 6 ? -7.967 -53.556 -98.967 1.00 45.81 ? 6 GLN B C 1 ATOM 2300 O O . GLN B 2 6 ? -8.557 -52.731 -98.262 1.00 44.77 ? 6 GLN B O 1 ATOM 2301 C CB . GLN B 2 6 ? -9.024 -55.793 -98.463 1.00 46.51 ? 6 GLN B CB 1 ATOM 2302 C CG . GLN B 2 6 ? -8.880 -57.229 -97.943 1.00 48.10 ? 6 GLN B CG 1 ATOM 2303 C CD . GLN B 2 6 ? -7.771 -58.010 -98.637 0.70 50.11 ? 6 GLN B CD 1 ATOM 2304 O OE1 . GLN B 2 6 ? -7.799 -58.209 -99.854 0.70 50.54 ? 6 GLN B OE1 1 ATOM 2305 N NE2 . GLN B 2 6 ? -6.788 -58.456 -97.860 0.70 51.32 ? 6 GLN B NE2 1 ATOM 2306 N N . ILE B 2 7 ? -7.511 -53.284 -100.187 1.00 46.28 ? 7 ILE B N 1 ATOM 2307 C CA . ILE B 2 7 ? -7.492 -51.931 -100.731 1.00 45.68 ? 7 ILE B CA 1 ATOM 2308 C C . ILE B 2 7 ? -8.475 -51.794 -101.891 1.00 45.20 ? 7 ILE B C 1 ATOM 2309 O O . ILE B 2 7 ? -8.392 -52.530 -102.868 1.00 46.10 ? 7 ILE B O 1 ATOM 2310 C CB . ILE B 2 7 ? -6.057 -51.536 -101.182 1.00 47.16 ? 7 ILE B CB 1 ATOM 2311 C CG1 . ILE B 2 7 ? -5.028 -51.949 -100.116 1.00 47.80 ? 7 ILE B CG1 1 ATOM 2312 C CG2 . ILE B 2 7 ? -5.970 -50.031 -101.488 1.00 47.02 ? 7 ILE B CG2 1 ATOM 2313 C CD1 . ILE B 2 7 ? -3.621 -52.129 -100.636 1.00 49.32 ? 7 ILE B CD1 1 ATOM 2314 N N . GLN B 2 8 ? -9.405 -50.848 -101.764 1.00 44.25 ? 8 GLN B N 1 ATOM 2315 C CA . GLN B 2 8 ? -10.420 -50.585 -102.788 1.00 44.04 ? 8 GLN B CA 1 ATOM 2316 C C . GLN B 2 8 ? -10.373 -49.131 -103.267 1.00 44.16 ? 8 GLN B C 1 ATOM 2317 O O . GLN B 2 8 ? -10.684 -48.201 -102.510 1.00 43.86 ? 8 GLN B O 1 ATOM 2318 C CB . GLN B 2 8 ? -11.817 -50.930 -102.261 1.00 43.19 ? 8 GLN B CB 1 ATOM 2319 C CG . GLN B 2 8 ? -12.068 -52.430 -102.104 1.00 44.12 ? 8 GLN B CG 1 ATOM 2320 C CD . GLN B 2 8 ? -13.248 -52.751 -101.195 1.00 44.36 ? 8 GLN B CD 1 ATOM 2321 O OE1 . GLN B 2 8 ? -13.286 -52.348 -100.025 1.00 43.92 ? 8 GLN B OE1 1 ATOM 2322 N NE2 . GLN B 2 8 ? -14.213 -53.492 -101.728 1.00 44.68 ? 8 GLN B NE2 1 ATOM 2323 N N . VAL B 2 9 ? -9.976 -48.944 -104.524 1.00 44.86 ? 9 VAL B N 1 ATOM 2324 C CA . VAL B 2 9 ? -9.886 -47.613 -105.121 1.00 45.22 ? 9 VAL B CA 1 ATOM 2325 C C . VAL B 2 9 ? -11.054 -47.388 -106.084 1.00 45.31 ? 9 VAL B C 1 ATOM 2326 O O . VAL B 2 9 ? -11.276 -48.182 -107.001 1.00 45.92 ? 9 VAL B O 1 ATOM 2327 C CB . VAL B 2 9 ? -8.539 -47.388 -105.854 1.00 46.50 ? 9 VAL B CB 1 ATOM 2328 C CG1 . VAL B 2 9 ? -8.316 -45.908 -106.118 1.00 47.15 ? 9 VAL B CG1 1 ATOM 2329 C CG2 . VAL B 2 9 ? -7.387 -47.945 -105.042 1.00 46.63 ? 9 VAL B CG2 1 ATOM 2330 N N . TYR B 2 10 ? -11.792 -46.304 -105.855 1.00 45.08 ? 10 TYR B N 1 ATOM 2331 C CA . TYR B 2 10 ? -12.988 -45.962 -106.626 1.00 45.32 ? 10 TYR B CA 1 ATOM 2332 C C . TYR B 2 10 ? -13.208 -44.444 -106.592 1.00 46.31 ? 10 TYR B C 1 ATOM 2333 O O . TYR B 2 10 ? -12.544 -43.737 -105.829 1.00 46.48 ? 10 TYR B O 1 ATOM 2334 C CB . TYR B 2 10 ? -14.211 -46.706 -106.077 1.00 44.33 ? 10 TYR B CB 1 ATOM 2335 C CG . TYR B 2 10 ? -14.449 -46.490 -104.598 1.00 43.39 ? 10 TYR B CG 1 ATOM 2336 C CD1 . TYR B 2 10 ? -13.689 -47.167 -103.642 1.00 42.53 ? 10 TYR B CD1 1 ATOM 2337 C CD2 . TYR B 2 10 ? -15.433 -45.610 -104.152 1.00 43.37 ? 10 TYR B CD2 1 ATOM 2338 C CE1 . TYR B 2 10 ? -13.899 -46.968 -102.284 1.00 42.09 ? 10 TYR B CE1 1 ATOM 2339 C CE2 . TYR B 2 10 ? -15.652 -45.404 -102.793 1.00 42.76 ? 10 TYR B CE2 1 ATOM 2340 C CZ . TYR B 2 10 ? -14.881 -46.085 -101.864 1.00 42.02 ? 10 TYR B CZ 1 ATOM 2341 O OH . TYR B 2 10 ? -15.090 -45.891 -100.517 1.00 41.09 ? 10 TYR B OH 1 ATOM 2342 N N . SER B 2 11 ? -14.135 -43.951 -107.414 1.00 47.18 ? 11 SER B N 1 ATOM 2343 C CA . SER B 2 11 ? -14.316 -42.509 -107.604 1.00 48.64 ? 11 SER B CA 1 ATOM 2344 C C . SER B 2 11 ? -15.679 -42.001 -107.138 1.00 49.03 ? 11 SER B C 1 ATOM 2345 O O . SER B 2 11 ? -16.680 -42.711 -107.234 1.00 48.58 ? 11 SER B O 1 ATOM 2346 C CB . SER B 2 11 ? -14.084 -42.129 -109.069 1.00 50.12 ? 11 SER B CB 1 ATOM 2347 O OG . SER B 2 11 ? -15.059 -42.713 -109.916 1.00 50.22 ? 11 SER B OG 1 ATOM 2348 N N . ARG B 2 12 ? -15.696 -40.761 -106.649 1.00 50.32 ? 12 ARG B N 1 ATOM 2349 C CA . ARG B 2 12 ? -16.891 -40.141 -106.066 1.00 51.33 ? 12 ARG B CA 1 ATOM 2350 C C . ARG B 2 12 ? -17.987 -39.884 -107.095 1.00 52.75 ? 12 ARG B C 1 ATOM 2351 O O . ARG B 2 12 ? -19.176 -39.964 -106.780 1.00 53.18 ? 12 ARG B O 1 ATOM 2352 C CB . ARG B 2 12 ? -16.514 -38.837 -105.345 1.00 52.85 ? 12 ARG B CB 1 ATOM 2353 C CG . ARG B 2 12 ? -17.672 -38.036 -104.741 1.00 54.40 ? 12 ARG B CG 1 ATOM 2354 C CD . ARG B 2 12 ? -18.409 -38.782 -103.629 1.00 53.60 ? 12 ARG B CD 1 ATOM 2355 N NE . ARG B 2 12 ? -19.619 -38.073 -103.205 1.00 56.04 ? 12 ARG B NE 1 ATOM 2356 C CZ . ARG B 2 12 ? -20.804 -38.157 -103.811 1.00 56.95 ? 12 ARG B CZ 1 ATOM 2357 N NH1 . ARG B 2 12 ? -20.965 -38.930 -104.879 1.00 56.03 ? 12 ARG B NH1 1 ATOM 2358 N NH2 . ARG B 2 12 ? -21.835 -37.464 -103.347 1.00 58.98 ? 12 ARG B NH2 1 ATOM 2359 N N . HIS B 2 13 ? -17.582 -39.578 -108.322 1.00 53.83 ? 13 HIS B N 1 ATOM 2360 C CA . HIS B 2 13 ? -18.527 -39.313 -109.396 1.00 55.48 ? 13 HIS B CA 1 ATOM 2361 C C . HIS B 2 13 ? -18.128 -40.098 -110.638 1.00 55.26 ? 13 HIS B C 1 ATOM 2362 O O . HIS B 2 13 ? -16.982 -40.549 -110.725 1.00 54.41 ? 13 HIS B O 1 ATOM 2363 C CB . HIS B 2 13 ? -18.581 -37.813 -109.689 1.00 58.11 ? 13 HIS B CB 1 ATOM 2364 C CG . HIS B 2 13 ? -19.005 -36.990 -108.515 1.00 59.00 ? 13 HIS B CG 1 ATOM 2365 N ND1 . HIS B 2 13 ? -20.312 -36.932 -108.081 1.00 59.75 ? 13 HIS B ND1 1 ATOM 2366 C CD2 . HIS B 2 13 ? -18.294 -36.201 -107.677 1.00 59.58 ? 13 HIS B CD2 1 ATOM 2367 C CE1 . HIS B 2 13 ? -20.388 -36.140 -107.026 1.00 61.19 ? 13 HIS B CE1 1 ATOM 2368 N NE2 . HIS B 2 13 ? -19.177 -35.682 -106.762 1.00 61.27 ? 13 HIS B NE2 1 ATOM 2369 N N . PRO B 2 14 ? -19.070 -40.278 -111.595 1.00 56.36 ? 14 PRO B N 1 ATOM 2370 C CA . PRO B 2 14 ? -18.762 -40.993 -112.837 1.00 56.41 ? 14 PRO B CA 1 ATOM 2371 C C . PRO B 2 14 ? -17.463 -40.485 -113.465 1.00 57.02 ? 14 PRO B C 1 ATOM 2372 O O . PRO B 2 14 ? -17.306 -39.277 -113.649 1.00 58.72 ? 14 PRO B O 1 ATOM 2373 C CB . PRO B 2 14 ? -19.949 -40.657 -113.745 1.00 58.43 ? 14 PRO B CB 1 ATOM 2374 C CG . PRO B 2 14 ? -21.062 -40.336 -112.830 1.00 58.65 ? 14 PRO B CG 1 ATOM 2375 C CD . PRO B 2 14 ? -20.463 -39.788 -111.571 1.00 57.90 ? 14 PRO B CD 1 ATOM 2376 N N . PRO B 2 15 ? -16.527 -41.402 -113.769 1.00 55.99 ? 15 PRO B N 1 ATOM 2377 C CA . PRO B 2 15 ? -15.248 -41.029 -114.366 1.00 56.87 ? 15 PRO B CA 1 ATOM 2378 C C . PRO B 2 15 ? -15.460 -40.415 -115.741 1.00 59.25 ? 15 PRO B C 1 ATOM 2379 O O . PRO B 2 15 ? -15.810 -41.119 -116.687 1.00 59.75 ? 15 PRO B O 1 ATOM 2380 C CB . PRO B 2 15 ? -14.509 -42.369 -114.490 1.00 55.69 ? 15 PRO B CB 1 ATOM 2381 C CG . PRO B 2 15 ? -15.206 -43.294 -113.554 1.00 53.84 ? 15 PRO B CG 1 ATOM 2382 C CD . PRO B 2 15 ? -16.630 -42.855 -113.547 1.00 54.36 ? 15 PRO B CD 1 ATOM 2383 N N . GLU B 2 16 ? -15.286 -39.101 -115.836 1.00 61.04 ? 16 GLU B N 1 ATOM 2384 C CA . GLU B 2 16 ? -15.449 -38.395 -117.105 1.00 63.60 ? 16 GLU B CA 1 ATOM 2385 C C . GLU B 2 16 ? -14.185 -37.596 -117.394 1.00 65.14 ? 16 GLU B C 1 ATOM 2386 O O . GLU B 2 16 ? -13.892 -36.604 -116.719 1.00 65.93 ? 16 GLU B O 1 ATOM 2387 C CB . GLU B 2 16 ? -16.697 -37.501 -117.087 1.00 65.14 ? 16 GLU B CB 1 ATOM 2388 C CG . GLU B 2 16 ? -17.993 -38.251 -116.753 1.00 64.05 ? 16 GLU B CG 1 ATOM 2389 C CD . GLU B 2 16 ? -19.244 -37.402 -116.898 0.70 66.11 ? 16 GLU B CD 1 ATOM 2390 O OE1 . GLU B 2 16 ? -19.447 -36.811 -117.981 0.70 68.86 ? 16 GLU B OE1 1 ATOM 2391 O OE2 . GLU B 2 16 ? -20.036 -37.344 -115.932 0.70 65.12 ? 16 GLU B OE2 1 ATOM 2392 N N . ASN B 2 17 ? -13.433 -38.056 -118.390 1.00 65.82 ? 17 ASN B N 1 ATOM 2393 C CA . ASN B 2 17 ? -12.118 -37.506 -118.707 1.00 67.27 ? 17 ASN B CA 1 ATOM 2394 C C . ASN B 2 17 ? -12.091 -35.986 -118.749 1.00 69.82 ? 17 ASN B C 1 ATOM 2395 O O . ASN B 2 17 ? -12.907 -35.361 -119.429 1.00 71.76 ? 17 ASN B O 1 ATOM 2396 C CB . ASN B 2 17 ? -11.602 -38.086 -120.022 1.00 68.54 ? 17 ASN B CB 1 ATOM 2397 C CG . ASN B 2 17 ? -11.323 -39.571 -119.931 1.00 66.31 ? 17 ASN B CG 1 ATOM 2398 O OD1 . ASN B 2 17 ? -10.538 -40.017 -119.097 1.00 64.62 ? 17 ASN B OD1 1 ATOM 2399 N ND2 . ASN B 2 17 ? -11.960 -40.344 -120.795 1.00 66.48 ? 17 ASN B ND2 1 ATOM 2400 N N . GLY B 2 18 ? -11.161 -35.404 -117.996 1.00 70.15 ? 18 GLY B N 1 ATOM 2401 C CA . GLY B 2 18 ? -10.979 -33.955 -117.962 1.00 72.92 ? 18 GLY B CA 1 ATOM 2402 C C . GLY B 2 18 ? -12.025 -33.217 -117.148 1.00 73.05 ? 18 GLY B C 1 ATOM 2403 O O . GLY B 2 18 ? -12.357 -32.069 -117.450 1.00 75.97 ? 18 GLY B O 1 ATOM 2404 N N . LYS B 2 19 ? -12.547 -33.879 -116.119 1.00 70.24 ? 19 LYS B N 1 ATOM 2405 C CA . LYS B 2 19 ? -13.500 -33.258 -115.200 1.00 70.38 ? 19 LYS B CA 1 ATOM 2406 C C . LYS B 2 19 ? -13.118 -33.536 -113.739 1.00 68.23 ? 19 LYS B C 1 ATOM 2407 O O . LYS B 2 19 ? -13.097 -34.696 -113.316 1.00 65.39 ? 19 LYS B O 1 ATOM 2408 C CB . LYS B 2 19 ? -14.928 -33.733 -115.491 1.00 69.67 ? 19 LYS B CB 1 ATOM 2409 N N . PRO B 2 20 ? -12.812 -32.468 -112.970 1.00 69.86 ? 20 PRO B N 1 ATOM 2410 C CA . PRO B 2 20 ? -12.428 -32.554 -111.558 1.00 68.41 ? 20 PRO B CA 1 ATOM 2411 C C . PRO B 2 20 ? -13.333 -33.494 -110.764 1.00 65.53 ? 20 PRO B C 1 ATOM 2412 O O . PRO B 2 20 ? -14.557 -33.442 -110.899 1.00 65.78 ? 20 PRO B O 1 ATOM 2413 C CB . PRO B 2 20 ? -12.583 -31.109 -111.058 1.00 71.55 ? 20 PRO B CB 1 ATOM 2414 C CG . PRO B 2 20 ? -13.277 -30.363 -112.173 1.00 74.37 ? 20 PRO B CG 1 ATOM 2415 C CD . PRO B 2 20 ? -12.875 -31.066 -113.415 1.00 73.62 ? 20 PRO B CD 1 ATOM 2416 N N . ASN B 2 21 ? -12.716 -34.345 -109.947 1.00 63.08 ? 21 ASN B N 1 ATOM 2417 C CA . ASN B 2 21 ? -13.397 -35.451 -109.278 1.00 60.25 ? 21 ASN B CA 1 ATOM 2418 C C . ASN B 2 21 ? -12.662 -35.800 -107.982 1.00 58.60 ? 21 ASN B C 1 ATOM 2419 O O . ASN B 2 21 ? -11.633 -35.203 -107.672 1.00 59.83 ? 21 ASN B O 1 ATOM 2420 C CB . ASN B 2 21 ? -13.436 -36.656 -110.225 1.00 58.81 ? 21 ASN B CB 1 ATOM 2421 C CG . ASN B 2 21 ? -14.574 -37.622 -109.924 1.00 57.55 ? 21 ASN B CG 1 ATOM 2422 O OD1 . ASN B 2 21 ? -14.688 -38.155 -108.819 1.00 56.73 ? 21 ASN B OD1 1 ATOM 2423 N ND2 . ASN B 2 21 ? -15.403 -37.881 -110.930 1.00 58.70 ? 21 ASN B ND2 1 ATOM 2424 N N . ILE B 2 22 ? -13.191 -36.756 -107.225 1.00 56.10 ? 22 ILE B N 1 ATOM 2425 C CA . ILE B 2 22 ? -12.557 -37.220 -105.990 1.00 54.42 ? 22 ILE B CA 1 ATOM 2426 C C . ILE B 2 22 ? -12.283 -38.728 -106.074 1.00 51.96 ? 22 ILE B C 1 ATOM 2427 O O . ILE B 2 22 ? -13.181 -39.512 -106.393 1.00 50.72 ? 22 ILE B O 1 ATOM 2428 C CB . ILE B 2 22 ? -13.420 -36.863 -104.743 1.00 54.44 ? 22 ILE B CB 1 ATOM 2429 C CG1 . ILE B 2 22 ? -13.484 -35.336 -104.558 1.00 57.52 ? 22 ILE B CG1 1 ATOM 2430 C CG2 . ILE B 2 22 ? -12.881 -37.542 -103.486 1.00 52.50 ? 22 ILE B CG2 1 ATOM 2431 C CD1 . ILE B 2 22 ? -14.646 -34.832 -103.698 1.00 58.10 ? 22 ILE B CD1 1 ATOM 2432 N N . LEU B 2 23 ? -11.035 -39.121 -105.814 1.00 51.48 ? 23 LEU B N 1 ATOM 2433 C CA . LEU B 2 23 ? -10.656 -40.534 -105.814 1.00 49.69 ? 23 LEU B CA 1 ATOM 2434 C C . LEU B 2 23 ? -10.566 -41.074 -104.397 1.00 48.59 ? 23 LEU B C 1 ATOM 2435 O O . LEU B 2 23 ? -9.782 -40.586 -103.584 1.00 49.28 ? 23 LEU B O 1 ATOM 2436 C CB . LEU B 2 23 ? -9.331 -40.774 -106.557 1.00 50.29 ? 23 LEU B CB 1 ATOM 2437 C CG . LEU B 2 23 ? -9.029 -42.225 -106.977 1.00 48.55 ? 23 LEU B CG 1 ATOM 2438 C CD1 . LEU B 2 23 ? -9.975 -42.693 -108.068 1.00 47.82 ? 23 LEU B CD1 1 ATOM 2439 C CD2 . LEU B 2 23 ? -7.594 -42.397 -107.434 1.00 48.93 ? 23 LEU B CD2 1 ATOM 2440 N N . ASN B 2 24 ? -11.372 -42.091 -104.118 1.00 47.28 ? 24 ASN B N 1 ATOM 2441 C CA . ASN B 2 24 ? -11.401 -42.726 -102.809 1.00 46.40 ? 24 ASN B CA 1 ATOM 2442 C C . ASN B 2 24 ? -10.493 -43.947 -102.740 1.00 45.72 ? 24 ASN B C 1 ATOM 2443 O O . ASN B 2 24 ? -10.497 -44.782 -103.644 1.00 45.46 ? 24 ASN B O 1 ATOM 2444 C CB . ASN B 2 24 ? -12.841 -43.095 -102.428 1.00 45.52 ? 24 ASN B CB 1 ATOM 2445 C CG . ASN B 2 24 ? -13.747 -41.870 -102.304 1.00 46.93 ? 24 ASN B CG 1 ATOM 2446 O OD1 . ASN B 2 24 ? -13.277 -40.749 -102.106 1.00 48.35 ? 24 ASN B OD1 1 ATOM 2447 N ND2 . ASN B 2 24 ? -15.049 -42.083 -102.421 1.00 46.93 ? 24 ASN B ND2 1 ATOM 2448 N N . CYS B 2 25 ? -9.691 -44.016 -101.680 1.00 45.87 ? 25 CYS B N 1 ATOM 2449 C CA . CYS B 2 25 ? -8.934 -45.217 -101.348 1.00 45.54 ? 25 CYS B CA 1 ATOM 2450 C C . CYS B 2 25 ? -9.378 -45.740 -99.983 1.00 44.59 ? 25 CYS B C 1 ATOM 2451 O O . CYS B 2 25 ? -9.112 -45.126 -98.947 1.00 45.00 ? 25 CYS B O 1 ATOM 2452 C CB . CYS B 2 25 ? -7.423 -44.966 -101.375 1.00 46.85 ? 25 CYS B CB 1 ATOM 2453 S SG . CYS B 2 25 ? -6.465 -46.478 -101.062 1.00 47.36 ? 25 CYS B SG 1 ATOM 2454 N N . TYR B 2 26 ? -10.057 -46.882 -100.000 1.00 43.59 ? 26 TYR B N 1 ATOM 2455 C CA . TYR B 2 26 ? -10.693 -47.438 -98.816 1.00 42.76 ? 26 TYR B CA 1 ATOM 2456 C C . TYR B 2 26 ? -10.007 -48.742 -98.415 1.00 42.69 ? 26 TYR B C 1 ATOM 2457 O O . TYR B 2 26 ? -10.133 -49.758 -99.103 1.00 42.74 ? 26 TYR B O 1 ATOM 2458 C CB . TYR B 2 26 ? -12.180 -47.652 -99.114 1.00 42.17 ? 26 TYR B CB 1 ATOM 2459 C CG . TYR B 2 26 ? -13.025 -48.203 -97.985 1.00 41.78 ? 26 TYR B CG 1 ATOM 2460 C CD1 . TYR B 2 26 ? -13.053 -47.588 -96.734 1.00 42.07 ? 26 TYR B CD1 1 ATOM 2461 C CD2 . TYR B 2 26 ? -13.836 -49.317 -98.189 1.00 41.42 ? 26 TYR B CD2 1 ATOM 2462 C CE1 . TYR B 2 26 ? -13.843 -48.093 -95.709 1.00 41.91 ? 26 TYR B CE1 1 ATOM 2463 C CE2 . TYR B 2 26 ? -14.633 -49.822 -97.173 1.00 41.27 ? 26 TYR B CE2 1 ATOM 2464 C CZ . TYR B 2 26 ? -14.631 -49.208 -95.938 1.00 41.34 ? 26 TYR B CZ 1 ATOM 2465 O OH . TYR B 2 26 ? -15.423 -49.710 -94.932 1.00 41.72 ? 26 TYR B OH 1 ATOM 2466 N N . VAL B 2 27 ? -9.267 -48.695 -97.310 1.00 42.91 ? 27 VAL B N 1 ATOM 2467 C CA . VAL B 2 27 ? -8.525 -49.854 -96.811 1.00 43.21 ? 27 VAL B CA 1 ATOM 2468 C C . VAL B 2 27 ? -9.268 -50.484 -95.638 1.00 42.77 ? 27 VAL B C 1 ATOM 2469 O O . VAL B 2 27 ? -9.697 -49.780 -94.721 1.00 42.75 ? 27 VAL B O 1 ATOM 2470 C CB . VAL B 2 27 ? -7.092 -49.473 -96.360 1.00 44.38 ? 27 VAL B CB 1 ATOM 2471 C CG1 . VAL B 2 27 ? -6.225 -50.717 -96.216 1.00 44.86 ? 27 VAL B CG1 1 ATOM 2472 C CG2 . VAL B 2 27 ? -6.457 -48.489 -97.339 1.00 45.02 ? 27 VAL B CG2 1 ATOM 2473 N N . THR B 2 28 ? -9.418 -51.805 -95.671 1.00 42.76 ? 28 THR B N 1 ATOM 2474 C CA . THR B 2 28 ? -10.171 -52.522 -94.640 1.00 42.57 ? 28 THR B CA 1 ATOM 2475 C C . THR B 2 28 ? -9.435 -53.769 -94.160 1.00 43.64 ? 28 THR B C 1 ATOM 2476 O O . THR B 2 28 ? -8.350 -54.083 -94.648 1.00 44.66 ? 28 THR B O 1 ATOM 2477 C CB . THR B 2 28 ? -11.562 -52.959 -95.160 1.00 42.05 ? 28 THR B CB 1 ATOM 2478 O OG1 . THR B 2 28 ? -11.411 -53.969 -96.165 1.00 42.50 ? 28 THR B OG1 1 ATOM 2479 C CG2 . THR B 2 28 ? -12.323 -51.785 -95.745 1.00 41.55 ? 28 THR B CG2 1 ATOM 2480 N N . GLN B 2 29 ? -10.040 -54.468 -93.199 1.00 43.85 ? 29 GLN B N 1 ATOM 2481 C CA . GLN B 2 29 ? -9.634 -55.824 -92.793 1.00 45.05 ? 29 GLN B CA 1 ATOM 2482 C C . GLN B 2 29 ? -8.168 -55.972 -92.377 1.00 46.28 ? 29 GLN B C 1 ATOM 2483 O O . GLN B 2 29 ? -7.531 -56.982 -92.675 1.00 47.72 ? 29 GLN B O 1 ATOM 2484 C CB . GLN B 2 29 ? -9.994 -56.849 -93.883 1.00 45.56 ? 29 GLN B CB 1 ATOM 2485 C CG . GLN B 2 29 ? -11.473 -57.220 -93.939 1.00 45.24 ? 29 GLN B CG 1 ATOM 2486 N N . PHE B 2 30 ? -7.640 -54.973 -91.676 1.00 46.15 ? 30 PHE B N 1 ATOM 2487 C CA . PHE B 2 30 ? -6.241 -54.997 -91.260 1.00 47.43 ? 30 PHE B CA 1 ATOM 2488 C C . PHE B 2 30 ? -6.056 -54.865 -89.752 1.00 48.10 ? 30 PHE B C 1 ATOM 2489 O O . PHE B 2 30 ? -6.856 -54.227 -89.068 1.00 47.28 ? 30 PHE B O 1 ATOM 2490 C CB . PHE B 2 30 ? -5.426 -53.941 -92.014 1.00 47.35 ? 30 PHE B CB 1 ATOM 2491 C CG . PHE B 2 30 ? -5.842 -52.525 -91.740 1.00 46.17 ? 30 PHE B CG 1 ATOM 2492 C CD1 . PHE B 2 30 ? -6.865 -51.934 -92.466 1.00 45.08 ? 30 PHE B CD1 1 ATOM 2493 C CD2 . PHE B 2 30 ? -5.186 -51.769 -90.773 1.00 47.24 ? 30 PHE B CD2 1 ATOM 2494 C CE1 . PHE B 2 30 ? -7.244 -50.611 -92.223 1.00 44.81 ? 30 PHE B CE1 1 ATOM 2495 C CE2 . PHE B 2 30 ? -5.555 -50.450 -90.519 1.00 46.65 ? 30 PHE B CE2 1 ATOM 2496 C CZ . PHE B 2 30 ? -6.586 -49.870 -91.246 1.00 45.83 ? 30 PHE B CZ 1 ATOM 2497 N N . HIS B 2 31 ? -4.985 -55.481 -89.257 1.00 49.94 ? 31 HIS B N 1 ATOM 2498 C CA . HIS B 2 31 ? -4.647 -55.520 -87.839 1.00 51.05 ? 31 HIS B CA 1 ATOM 2499 C C . HIS B 2 31 ? -3.162 -55.850 -87.744 1.00 53.15 ? 31 HIS B C 1 ATOM 2500 O O . HIS B 2 31 ? -2.706 -56.785 -88.403 1.00 54.30 ? 31 HIS B O 1 ATOM 2501 C CB . HIS B 2 31 ? -5.457 -56.611 -87.139 1.00 51.44 ? 31 HIS B CB 1 ATOM 2502 C CG . HIS B 2 31 ? -5.652 -56.379 -85.674 1.00 52.41 ? 31 HIS B CG 1 ATOM 2503 N ND1 . HIS B 2 31 ? -6.837 -55.908 -85.148 1.00 51.33 ? 31 HIS B ND1 1 ATOM 2504 C CD2 . HIS B 2 31 ? -4.816 -56.554 -84.623 1.00 54.45 ? 31 HIS B CD2 1 ATOM 2505 C CE1 . HIS B 2 31 ? -6.722 -55.803 -83.836 1.00 52.48 ? 31 HIS B CE1 1 ATOM 2506 N NE2 . HIS B 2 31 ? -5.505 -56.189 -83.492 1.00 54.38 ? 31 HIS B NE2 1 ATOM 2507 N N . PRO B 2 32 ? -2.386 -55.091 -86.945 1.00 54.14 ? 32 PRO B N 1 ATOM 2508 C CA . PRO B 2 32 ? -2.638 -53.920 -86.096 1.00 53.63 ? 32 PRO B CA 1 ATOM 2509 C C . PRO B 2 32 ? -3.016 -52.644 -86.862 1.00 52.09 ? 32 PRO B C 1 ATOM 2510 O O . PRO B 2 32 ? -2.974 -52.636 -88.092 1.00 51.34 ? 32 PRO B O 1 ATOM 2511 C CB . PRO B 2 32 ? -1.292 -53.723 -85.389 1.00 55.99 ? 32 PRO B CB 1 ATOM 2512 C CG . PRO B 2 32 ? -0.649 -55.055 -85.427 1.00 57.73 ? 32 PRO B CG 1 ATOM 2513 C CD . PRO B 2 32 ? -1.003 -55.567 -86.776 1.00 56.66 ? 32 PRO B CD 1 ATOM 2514 N N . PRO B 2 33 ? -3.384 -51.569 -86.136 1.00 51.95 ? 33 PRO B N 1 ATOM 2515 C CA . PRO B 2 33 ? -3.875 -50.348 -86.770 1.00 50.97 ? 33 PRO B CA 1 ATOM 2516 C C . PRO B 2 33 ? -2.804 -49.483 -87.436 1.00 52.12 ? 33 PRO B C 1 ATOM 2517 O O . PRO B 2 33 ? -3.141 -48.636 -88.263 1.00 51.34 ? 33 PRO B O 1 ATOM 2518 C CB . PRO B 2 33 ? -4.520 -49.590 -85.608 1.00 51.15 ? 33 PRO B CB 1 ATOM 2519 C CG . PRO B 2 33 ? -3.779 -50.037 -84.418 1.00 52.89 ? 33 PRO B CG 1 ATOM 2520 C CD . PRO B 2 33 ? -3.462 -51.479 -84.665 1.00 53.06 ? 33 PRO B CD 1 ATOM 2521 N N . HIS B 2 34 ? -1.536 -49.677 -87.085 1.00 54.41 ? 34 HIS B N 1 ATOM 2522 C CA . HIS B 2 34 ? -0.472 -48.871 -87.685 1.00 56.14 ? 34 HIS B CA 1 ATOM 2523 C C . HIS B 2 34 ? -0.319 -49.186 -89.168 1.00 55.71 ? 34 HIS B C 1 ATOM 2524 O O . HIS B 2 34 ? -0.015 -50.321 -89.543 1.00 56.10 ? 34 HIS B O 1 ATOM 2525 C CB . HIS B 2 34 ? 0.866 -49.032 -86.957 1.00 58.72 ? 34 HIS B CB 1 ATOM 2526 C CG . HIS B 2 34 ? 1.956 -48.176 -87.523 0.70 60.72 ? 34 HIS B CG 1 ATOM 2527 N ND1 . HIS B 2 34 ? 1.963 -46.803 -87.400 0.70 61.57 ? 34 HIS B ND1 1 ATOM 2528 C CD2 . HIS B 2 34 ? 3.062 -48.495 -88.236 0.70 62.64 ? 34 HIS B CD2 1 ATOM 2529 C CE1 . HIS B 2 34 ? 3.033 -46.314 -88.002 0.70 63.52 ? 34 HIS B CE1 1 ATOM 2530 N NE2 . HIS B 2 34 ? 3.716 -47.320 -88.517 0.70 64.24 ? 34 HIS B NE2 1 ATOM 2531 N N . ILE B 2 35 ? -0.544 -48.172 -90.002 1.00 55.42 ? 35 ILE B N 1 ATOM 2532 C CA . ILE B 2 35 ? -0.506 -48.329 -91.455 1.00 55.01 ? 35 ILE B CA 1 ATOM 2533 C C . ILE B 2 35 ? -0.163 -47.016 -92.173 1.00 55.82 ? 35 ILE B C 1 ATOM 2534 O O . ILE B 2 35 ? -0.745 -45.964 -91.892 1.00 55.51 ? 35 ILE B O 1 ATOM 2535 C CB . ILE B 2 35 ? -1.839 -48.938 -91.995 1.00 52.74 ? 35 ILE B CB 1 ATOM 2536 C CG1 . ILE B 2 35 ? -1.771 -49.187 -93.504 1.00 52.48 ? 35 ILE B CG1 1 ATOM 2537 C CG2 . ILE B 2 35 ? -3.032 -48.055 -91.650 1.00 51.51 ? 35 ILE B CG2 1 ATOM 2538 N N . GLU B 2 36 ? 0.800 -47.088 -93.087 1.00 57.25 ? 36 GLU B N 1 ATOM 2539 C CA . GLU B 2 36 ? 1.108 -45.979 -93.978 1.00 58.16 ? 36 GLU B CA 1 ATOM 2540 C C . GLU B 2 36 ? 0.312 -46.165 -95.264 1.00 56.64 ? 36 GLU B C 1 ATOM 2541 O O . GLU B 2 36 ? 0.367 -47.230 -95.888 1.00 56.36 ? 36 GLU B O 1 ATOM 2542 C CB . GLU B 2 36 ? 2.609 -45.924 -94.276 1.00 60.91 ? 36 GLU B CB 1 ATOM 2543 N N . ILE B 2 37 ? -0.443 -45.136 -95.644 1.00 55.99 ? 37 ILE B N 1 ATOM 2544 C CA . ILE B 2 37 ? -1.268 -45.185 -96.852 1.00 54.73 ? 37 ILE B CA 1 ATOM 2545 C C . ILE B 2 37 ? -0.955 -44.008 -97.764 1.00 56.09 ? 37 ILE B C 1 ATOM 2546 O O . ILE B 2 37 ? -1.045 -42.852 -97.351 1.00 56.94 ? 37 ILE B O 1 ATOM 2547 C CB . ILE B 2 37 ? -2.777 -45.206 -96.521 1.00 52.63 ? 37 ILE B CB 1 ATOM 2548 C CG1 . ILE B 2 37 ? -3.132 -46.468 -95.733 1.00 51.67 ? 37 ILE B CG1 1 ATOM 2549 C CG2 . ILE B 2 37 ? -3.616 -45.138 -97.797 1.00 51.74 ? 37 ILE B CG2 1 ATOM 2550 C CD1 . ILE B 2 37 ? -4.436 -46.377 -94.983 1.00 50.50 ? 37 ILE B CD1 1 ATOM 2551 N N . GLN B 2 38 ? -0.592 -44.319 -99.006 1.00 56.72 ? 38 GLN B N 1 ATOM 2552 C CA . GLN B 2 38 ? -0.220 -43.309 -99.994 1.00 58.31 ? 38 GLN B CA 1 ATOM 2553 C C . GLN B 2 38 ? -1.059 -43.397 -101.266 1.00 57.31 ? 38 GLN B C 1 ATOM 2554 O O . GLN B 2 38 ? -1.393 -44.487 -101.734 1.00 56.19 ? 38 GLN B O 1 ATOM 2555 C CB . GLN B 2 38 ? 1.257 -43.441 -100.361 1.00 60.76 ? 38 GLN B CB 1 ATOM 2556 C CG . GLN B 2 38 ? 2.215 -42.979 -99.284 1.00 62.85 ? 38 GLN B CG 1 ATOM 2557 C CD . GLN B 2 38 ? 3.665 -43.059 -99.718 1.00 66.12 ? 38 GLN B CD 1 ATOM 2558 O OE1 . GLN B 2 38 ? 3.993 -42.846 -100.889 1.00 67.29 ? 38 GLN B OE1 1 ATOM 2559 N NE2 . GLN B 2 38 ? 4.546 -43.361 -98.770 1.00 67.69 ? 38 GLN B NE2 1 ATOM 2560 N N . MET B 2 39 ? -1.390 -42.233 -101.816 1.00 57.97 ? 39 MET B N 1 ATOM 2561 C CA . MET B 2 39 ? -2.009 -42.148 -103.131 1.00 57.57 ? 39 MET B CA 1 ATOM 2562 C C . MET B 2 39 ? -1.068 -41.420 -104.088 1.00 60.08 ? 39 MET B C 1 ATOM 2563 O O . MET B 2 39 ? -0.371 -40.473 -103.698 1.00 61.91 ? 39 MET B O 1 ATOM 2564 C CB . MET B 2 39 ? -3.368 -41.460 -103.046 1.00 56.43 ? 39 MET B CB 1 ATOM 2565 C CG . MET B 2 39 ? -4.390 -42.255 -102.260 1.00 54.13 ? 39 MET B CG 1 ATOM 2566 S SD . MET B 2 39 ? -6.044 -41.549 -102.308 1.00 53.91 ? 39 MET B SD 1 ATOM 2567 C CE . MET B 2 39 ? -6.582 -41.972 -103.959 1.00 53.45 ? 39 MET B CE 1 ATOM 2568 N N . LEU B 2 40 ? -1.047 -41.874 -105.339 1.00 60.25 ? 40 LEU B N 1 ATOM 2569 C CA . LEU B 2 40 ? -0.044 -41.436 -106.302 1.00 62.76 ? 40 LEU B CA 1 ATOM 2570 C C . LEU B 2 40 ? -0.648 -41.009 -107.640 1.00 63.11 ? 40 LEU B C 1 ATOM 2571 O O . LEU B 2 40 ? -1.657 -41.560 -108.087 1.00 61.35 ? 40 LEU B O 1 ATOM 2572 C CB . LEU B 2 40 ? 0.971 -42.561 -106.547 1.00 63.75 ? 40 LEU B CB 1 ATOM 2573 C CG . LEU B 2 40 ? 1.434 -43.448 -105.385 1.00 63.24 ? 40 LEU B CG 1 ATOM 2574 C CD1 . LEU B 2 40 ? 1.862 -44.826 -105.878 1.00 63.42 ? 40 LEU B CD1 1 ATOM 2575 C CD2 . LEU B 2 40 ? 2.551 -42.786 -104.591 1.00 65.76 ? 40 LEU B CD2 1 ATOM 2576 N N . LYS B 2 41 ? -0.021 -40.016 -108.265 1.00 65.62 ? 41 LYS B N 1 ATOM 2577 C CA . LYS B 2 41 ? -0.272 -39.700 -109.664 1.00 66.65 ? 41 LYS B CA 1 ATOM 2578 C C . LYS B 2 41 ? 1.002 -40.000 -110.442 1.00 69.20 ? 41 LYS B C 1 ATOM 2579 O O . LYS B 2 41 ? 2.026 -39.332 -110.255 1.00 71.68 ? 41 LYS B O 1 ATOM 2580 C CB . LYS B 2 41 ? -0.694 -38.237 -109.848 1.00 67.98 ? 41 LYS B CB 1 ATOM 2581 C CG . LYS B 2 41 ? -1.431 -37.986 -111.160 1.00 68.28 ? 41 LYS B CG 1 ATOM 2582 C CD . LYS B 2 41 ? -1.985 -36.576 -111.266 1.00 69.51 ? 41 LYS B CD 1 ATOM 2583 C CE . LYS B 2 41 ? -1.111 -35.706 -112.148 1.00 73.59 ? 41 LYS B CE 1 ATOM 2584 N NZ . LYS B 2 41 ? -1.852 -34.530 -112.685 1.00 75.32 ? 41 LYS B NZ 1 ATOM 2585 N N . ASN B 2 42 ? 0.930 -41.028 -111.288 1.00 68.83 ? 42 ASN B N 1 ATOM 2586 C CA . ASN B 2 42 ? 2.056 -41.487 -112.111 1.00 71.38 ? 42 ASN B CA 1 ATOM 2587 C C . ASN B 2 42 ? 3.296 -41.906 -111.309 1.00 72.60 ? 42 ASN B C 1 ATOM 2588 O O . ASN B 2 42 ? 4.426 -41.718 -111.756 1.00 75.77 ? 42 ASN B O 1 ATOM 2589 C CB . ASN B 2 42 ? 2.418 -40.438 -113.172 1.00 74.26 ? 42 ASN B CB 1 ATOM 2590 C CG . ASN B 2 42 ? 1.234 -40.045 -114.034 1.00 73.63 ? 42 ASN B CG 1 ATOM 2591 O OD1 . ASN B 2 42 ? 0.762 -40.825 -114.864 1.00 73.21 ? 42 ASN B OD1 1 ATOM 2592 N ND2 . ASN B 2 42 ? 0.750 -38.823 -113.846 1.00 74.14 ? 42 ASN B ND2 1 ATOM 2593 N N . GLY B 2 43 ? 3.077 -42.476 -110.128 1.00 70.44 ? 43 GLY B N 1 ATOM 2594 C CA . GLY B 2 43 ? 4.174 -42.932 -109.276 1.00 71.58 ? 43 GLY B CA 1 ATOM 2595 C C . GLY B 2 43 ? 4.563 -41.931 -108.204 1.00 72.16 ? 43 GLY B C 1 ATOM 2596 O O . GLY B 2 43 ? 4.923 -42.318 -107.091 1.00 71.67 ? 43 GLY B O 1 ATOM 2597 N N . LYS B 2 44 ? 4.501 -40.645 -108.548 1.00 73.51 ? 44 LYS B N 1 ATOM 2598 C CA . LYS B 2 44 ? 4.776 -39.560 -107.605 1.00 74.48 ? 44 LYS B CA 1 ATOM 2599 C C . LYS B 2 44 ? 3.564 -39.340 -106.701 1.00 71.51 ? 44 LYS B C 1 ATOM 2600 O O . LYS B 2 44 ? 2.430 -39.287 -107.182 1.00 69.72 ? 44 LYS B O 1 ATOM 2601 C CB . LYS B 2 44 ? 5.129 -38.272 -108.356 1.00 77.32 ? 44 LYS B CB 1 ATOM 2602 N N . LYS B 2 45 ? 3.805 -39.215 -105.397 1.00 71.32 ? 45 LYS B N 1 ATOM 2603 C CA . LYS B 2 45 ? 2.716 -39.093 -104.419 1.00 68.74 ? 45 LYS B CA 1 ATOM 2604 C C . LYS B 2 45 ? 1.986 -37.749 -104.484 1.00 69.17 ? 45 LYS B C 1 ATOM 2605 O O . LYS B 2 45 ? 2.573 -36.724 -104.840 1.00 72.07 ? 45 LYS B O 1 ATOM 2606 C CB . LYS B 2 45 ? 3.206 -39.389 -102.989 1.00 68.67 ? 45 LYS B CB 1 ATOM 2607 C CG . LYS B 2 45 ? 4.181 -38.378 -102.403 1.00 71.79 ? 45 LYS B CG 1 ATOM 2608 C CD . LYS B 2 45 ? 4.467 -38.687 -100.943 1.00 71.85 ? 45 LYS B CD 1 ATOM 2609 N N . ILE B 2 46 ? 0.701 -37.771 -104.146 1.00 66.58 ? 46 ILE B N 1 ATOM 2610 C CA . ILE B 2 46 ? -0.110 -36.559 -104.129 1.00 67.06 ? 46 ILE B CA 1 ATOM 2611 C C . ILE B 2 46 ? -0.044 -35.914 -102.738 1.00 67.68 ? 46 ILE B C 1 ATOM 2612 O O . ILE B 2 46 ? -0.353 -36.564 -101.734 1.00 65.66 ? 46 ILE B O 1 ATOM 2613 C CB . ILE B 2 46 ? -1.569 -36.839 -104.585 1.00 64.64 ? 46 ILE B CB 1 ATOM 2614 C CG1 . ILE B 2 46 ? -1.571 -37.481 -105.980 1.00 64.14 ? 46 ILE B CG1 1 ATOM 2615 C CG2 . ILE B 2 46 ? -2.406 -35.548 -104.580 1.00 65.90 ? 46 ILE B CG2 1 ATOM 2616 C CD1 . ILE B 2 46 ? -2.873 -38.152 -106.373 1.00 61.60 ? 46 ILE B CD1 1 ATOM 2617 N N . PRO B 2 47 ? 0.380 -34.636 -102.678 1.00 70.69 ? 47 PRO B N 1 ATOM 2618 C CA . PRO B 2 47 ? 0.572 -33.927 -101.406 1.00 72.10 ? 47 PRO B CA 1 ATOM 2619 C C . PRO B 2 47 ? -0.739 -33.591 -100.697 1.00 70.69 ? 47 PRO B C 1 ATOM 2620 O O . PRO B 2 47 ? -0.800 -33.627 -99.467 1.00 70.34 ? 47 PRO B O 1 ATOM 2621 C CB . PRO B 2 47 ? 1.302 -32.639 -101.821 1.00 76.20 ? 47 PRO B CB 1 ATOM 2622 C CG . PRO B 2 47 ? 1.774 -32.877 -103.224 1.00 76.85 ? 47 PRO B CG 1 ATOM 2623 C CD . PRO B 2 47 ? 0.765 -33.797 -103.824 1.00 73.34 ? 47 PRO B CD 1 ATOM 2624 N N . LYS B 2 48 ? -1.773 -33.272 -101.469 1.00 70.11 ? 48 LYS B N 1 ATOM 2625 C CA . LYS B 2 48 ? -3.081 -32.946 -100.909 1.00 69.30 ? 48 LYS B CA 1 ATOM 2626 C C . LYS B 2 48 ? -3.991 -34.180 -100.821 1.00 65.52 ? 48 LYS B C 1 ATOM 2627 O O . LYS B 2 48 ? -4.905 -34.354 -101.634 1.00 64.39 ? 48 LYS B O 1 ATOM 2628 C CB . LYS B 2 48 ? -3.742 -31.828 -101.723 1.00 71.39 ? 48 LYS B CB 1 ATOM 2629 N N . VAL B 2 49 ? -3.726 -35.037 -99.837 1.00 63.86 ? 49 VAL B N 1 ATOM 2630 C CA . VAL B 2 49 ? -4.551 -36.221 -99.587 1.00 60.60 ? 49 VAL B CA 1 ATOM 2631 C C . VAL B 2 49 ? -5.123 -36.160 -98.177 1.00 60.34 ? 49 VAL B C 1 ATOM 2632 O O . VAL B 2 49 ? -4.378 -36.212 -97.192 1.00 61.11 ? 49 VAL B O 1 ATOM 2633 C CB . VAL B 2 49 ? -3.762 -37.548 -99.791 1.00 59.03 ? 49 VAL B CB 1 ATOM 2634 C CG1 . VAL B 2 49 ? -4.543 -38.745 -99.247 1.00 55.92 ? 49 VAL B CG1 1 ATOM 2635 C CG2 . VAL B 2 49 ? -3.438 -37.759 -101.258 1.00 59.17 ? 49 VAL B CG2 1 ATOM 2636 N N . GLU B 2 50 ? -6.446 -36.034 -98.091 1.00 59.53 ? 50 GLU B N 1 ATOM 2637 C CA . GLU B 2 50 ? -7.141 -35.998 -96.807 1.00 59.36 ? 50 GLU B CA 1 ATOM 2638 C C . GLU B 2 50 ? -7.424 -37.416 -96.319 1.00 56.56 ? 50 GLU B C 1 ATOM 2639 O O . GLU B 2 50 ? -7.414 -38.365 -97.109 1.00 54.83 ? 50 GLU B O 1 ATOM 2640 C CB . GLU B 2 50 ? -8.434 -35.179 -96.905 1.00 60.28 ? 50 GLU B CB 1 ATOM 2641 N N . MET B 2 51 ? -7.666 -37.557 -95.018 1.00 56.55 ? 51 MET B N 1 ATOM 2642 C CA . MET B 2 51 ? -7.872 -38.871 -94.424 1.00 54.43 ? 51 MET B CA 1 ATOM 2643 C C . MET B 2 51 ? -8.868 -38.855 -93.268 1.00 54.36 ? 51 MET B C 1 ATOM 2644 O O . MET B 2 51 ? -8.848 -37.954 -92.429 1.00 56.39 ? 51 MET B O 1 ATOM 2645 C CB . MET B 2 51 ? -6.537 -39.445 -93.956 1.00 54.63 ? 51 MET B CB 1 ATOM 2646 C CG . MET B 2 51 ? -6.424 -40.939 -94.149 1.00 52.85 ? 51 MET B CG 1 ATOM 2647 S SD . MET B 2 51 ? -4.722 -41.460 -94.418 1.00 54.59 ? 51 MET B SD 1 ATOM 2648 C CE . MET B 2 51 ? -4.316 -40.594 -95.935 1.00 55.87 ? 51 MET B CE 1 ATOM 2649 N N . SER B 2 52 ? -9.734 -39.865 -93.236 1.00 52.31 ? 52 SER B N 1 ATOM 2650 C CA . SER B 2 52 ? -10.716 -40.018 -92.165 1.00 52.20 ? 52 SER B CA 1 ATOM 2651 C C . SER B 2 52 ? -10.059 -40.581 -90.916 1.00 52.18 ? 52 SER B C 1 ATOM 2652 O O . SER B 2 52 ? -8.954 -41.120 -90.974 1.00 51.85 ? 52 SER B O 1 ATOM 2653 C CB . SER B 2 52 ? -11.838 -40.956 -92.602 1.00 50.34 ? 52 SER B CB 1 ATOM 2654 O OG . SER B 2 52 ? -11.373 -42.295 -92.673 1.00 48.68 ? 52 SER B OG 1 ATOM 2655 N N . ASP B 2 53 ? -10.748 -40.454 -89.789 1.00 52.84 ? 53 ASP B N 1 ATOM 2656 C CA . ASP B 2 53 ? -10.302 -41.064 -88.548 1.00 52.89 ? 53 ASP B CA 1 ATOM 2657 C C . ASP B 2 53 ? -10.510 -42.572 -88.651 1.00 50.54 ? 53 ASP B C 1 ATOM 2658 O O . ASP B 2 53 ? -11.473 -43.036 -89.264 1.00 49.07 ? 53 ASP B O 1 ATOM 2659 C CB . ASP B 2 53 ? -11.073 -40.492 -87.356 1.00 54.71 ? 53 ASP B CB 1 ATOM 2660 C CG . ASP B 2 53 ? -10.988 -38.967 -87.267 1.00 57.75 ? 53 ASP B CG 1 ATOM 2661 O OD1 . ASP B 2 53 ? -9.873 -38.408 -87.382 1.00 59.15 ? 53 ASP B OD1 1 ATOM 2662 O OD2 . ASP B 2 53 ? -12.045 -38.326 -87.067 1.00 59.39 ? 53 ASP B OD2 1 ATOM 2663 N N . MET B 2 54 ? -9.589 -43.327 -88.064 1.00 50.42 ? 54 MET B N 1 ATOM 2664 C CA . MET B 2 54 ? -9.619 -44.785 -88.130 1.00 48.82 ? 54 MET B CA 1 ATOM 2665 C C . MET B 2 54 ? -10.696 -45.357 -87.215 1.00 48.61 ? 54 MET B C 1 ATOM 2666 O O . MET B 2 54 ? -11.007 -44.790 -86.162 1.00 50.22 ? 54 MET B O 1 ATOM 2667 C CB . MET B 2 54 ? -8.247 -45.359 -87.766 1.00 49.32 ? 54 MET B CB 1 ATOM 2668 C CG . MET B 2 54 ? -8.098 -46.861 -88.011 1.00 48.26 ? 54 MET B CG 1 ATOM 2669 S SD . MET B 2 54 ? -6.382 -47.417 -87.919 1.00 49.14 ? 54 MET B SD 1 ATOM 2670 C CE . MET B 2 54 ? -5.706 -46.674 -89.399 1.00 49.12 ? 54 MET B CE 1 ATOM 2671 N N . SER B 2 55 ? -11.264 -46.482 -87.630 1.00 46.95 ? 55 SER B N 1 ATOM 2672 C CA . SER B 2 55 ? -12.282 -47.173 -86.852 1.00 46.72 ? 55 SER B CA 1 ATOM 2673 C C . SER B 2 55 ? -12.135 -48.684 -87.039 1.00 45.65 ? 55 SER B C 1 ATOM 2674 O O . SER B 2 55 ? -11.305 -49.139 -87.826 1.00 45.05 ? 55 SER B O 1 ATOM 2675 C CB . SER B 2 55 ? -13.675 -46.696 -87.271 1.00 46.54 ? 55 SER B CB 1 ATOM 2676 O OG . SER B 2 55 ? -14.689 -47.432 -86.616 1.00 46.67 ? 55 SER B OG 1 ATOM 2677 N N . PHE B 2 56 ? -12.922 -49.458 -86.301 1.00 45.69 ? 56 PHE B N 1 ATOM 2678 C CA . PHE B 2 56 ? -12.973 -50.896 -86.513 1.00 45.13 ? 56 PHE B CA 1 ATOM 2679 C C . PHE B 2 56 ? -14.404 -51.390 -86.654 1.00 45.09 ? 56 PHE B C 1 ATOM 2680 O O . PHE B 2 56 ? -15.349 -50.715 -86.245 1.00 45.60 ? 56 PHE B O 1 ATOM 2681 C CB . PHE B 2 56 ? -12.209 -51.672 -85.426 1.00 46.09 ? 56 PHE B CB 1 ATOM 2682 C CG . PHE B 2 56 ? -12.555 -51.276 -84.017 1.00 46.92 ? 56 PHE B CG 1 ATOM 2683 C CD1 . PHE B 2 56 ? -13.629 -51.857 -83.359 1.00 47.09 ? 56 PHE B CD1 1 ATOM 2684 C CD2 . PHE B 2 56 ? -11.785 -50.343 -83.337 1.00 47.96 ? 56 PHE B CD2 1 ATOM 2685 C CE1 . PHE B 2 56 ? -13.946 -51.501 -82.058 1.00 48.14 ? 56 PHE B CE1 1 ATOM 2686 C CE2 . PHE B 2 56 ? -12.096 -49.977 -82.033 1.00 49.25 ? 56 PHE B CE2 1 ATOM 2687 C CZ . PHE B 2 56 ? -13.179 -50.562 -81.393 1.00 49.53 ? 56 PHE B CZ 1 ATOM 2688 N N . SER B 2 57 ? -14.551 -52.568 -87.247 1.00 44.88 ? 57 SER B N 1 ATOM 2689 C CA . SER B 2 57 ? -15.862 -53.150 -87.496 1.00 45.13 ? 57 SER B CA 1 ATOM 2690 C C . SER B 2 57 ? -16.174 -54.274 -86.512 1.00 46.23 ? 57 SER B C 1 ATOM 2691 O O . SER B 2 57 ? -15.390 -54.549 -85.606 1.00 46.96 ? 57 SER B O 1 ATOM 2692 C CB . SER B 2 57 ? -15.932 -53.657 -88.930 1.00 44.41 ? 57 SER B CB 1 ATOM 2693 O OG . SER B 2 57 ? -14.816 -54.479 -89.212 1.00 45.00 ? 57 SER B OG 1 ATOM 2694 N N . LYS B 2 58 ? -17.321 -54.921 -86.705 1.00 46.77 ? 58 LYS B N 1 ATOM 2695 C CA . LYS B 2 58 ? -17.793 -55.990 -85.816 1.00 48.27 ? 58 LYS B CA 1 ATOM 2696 C C . LYS B 2 58 ? -16.820 -57.165 -85.645 1.00 48.87 ? 58 LYS B C 1 ATOM 2697 O O . LYS B 2 58 ? -16.859 -57.849 -84.623 1.00 50.33 ? 58 LYS B O 1 ATOM 2698 C CB . LYS B 2 58 ? -19.167 -56.504 -86.274 1.00 48.84 ? 58 LYS B CB 1 ATOM 2699 N N . ASP B 2 59 ? -15.959 -57.402 -86.634 1.00 48.10 ? 59 ASP B N 1 ATOM 2700 C CA . ASP B 2 59 ? -14.985 -58.495 -86.552 1.00 49.16 ? 59 ASP B CA 1 ATOM 2701 C C . ASP B 2 59 ? -13.667 -58.037 -85.925 1.00 49.14 ? 59 ASP B C 1 ATOM 2702 O O . ASP B 2 59 ? -12.693 -58.795 -85.884 1.00 50.09 ? 59 ASP B O 1 ATOM 2703 C CB . ASP B 2 59 ? -14.748 -59.131 -87.932 1.00 49.14 ? 59 ASP B CB 1 ATOM 2704 C CG . ASP B 2 59 ? -14.016 -58.202 -88.899 1.00 48.19 ? 59 ASP B CG 1 ATOM 2705 O OD1 . ASP B 2 59 ? -13.960 -56.978 -88.643 1.00 48.21 ? 59 ASP B OD1 1 ATOM 2706 O OD2 . ASP B 2 59 ? -13.497 -58.699 -89.922 1.00 48.34 ? 59 ASP B OD2 1 ATOM 2707 N N . TRP B 2 60 ? -13.662 -56.790 -85.447 1.00 48.42 ? 60 TRP B N 1 ATOM 2708 C CA . TRP B 2 60 ? -12.508 -56.137 -84.797 1.00 48.59 ? 60 TRP B CA 1 ATOM 2709 C C . TRP B 2 60 ? -11.415 -55.684 -85.760 1.00 47.89 ? 60 TRP B C 1 ATOM 2710 O O . TRP B 2 60 ? -10.395 -55.154 -85.323 1.00 48.57 ? 60 TRP B O 1 ATOM 2711 C CB . TRP B 2 60 ? -11.899 -57.002 -83.679 1.00 50.25 ? 60 TRP B CB 1 ATOM 2712 C CG . TRP B 2 60 ? -12.837 -57.292 -82.544 1.00 50.96 ? 60 TRP B CG 1 ATOM 2713 C CD1 . TRP B 2 60 ? -13.428 -58.488 -82.259 1.00 51.60 ? 60 TRP B CD1 1 ATOM 2714 C CD2 . TRP B 2 60 ? -13.292 -56.370 -81.543 1.00 50.87 ? 60 TRP B CD2 1 ATOM 2715 N NE1 . TRP B 2 60 ? -14.224 -58.369 -81.147 1.00 52.63 ? 60 TRP B NE1 1 ATOM 2716 C CE2 . TRP B 2 60 ? -14.157 -57.081 -80.685 1.00 52.06 ? 60 TRP B CE2 1 ATOM 2717 C CE3 . TRP B 2 60 ? -13.055 -55.011 -81.290 1.00 50.10 ? 60 TRP B CE3 1 ATOM 2718 C CZ2 . TRP B 2 60 ? -14.786 -56.482 -79.589 1.00 52.75 ? 60 TRP B CZ2 1 ATOM 2719 C CZ3 . TRP B 2 60 ? -13.680 -54.418 -80.202 1.00 50.83 ? 60 TRP B CZ3 1 ATOM 2720 C CH2 . TRP B 2 60 ? -14.537 -55.153 -79.367 1.00 52.18 ? 60 TRP B CH2 1 ATOM 2721 N N . SER B 2 61 ? -11.624 -55.880 -87.060 1.00 46.95 ? 61 SER B N 1 ATOM 2722 C CA . SER B 2 61 ? -10.651 -55.447 -88.060 1.00 46.32 ? 61 SER B CA 1 ATOM 2723 C C . SER B 2 61 ? -10.759 -53.942 -88.272 1.00 45.34 ? 61 SER B C 1 ATOM 2724 O O . SER B 2 61 ? -11.845 -53.377 -88.179 1.00 44.78 ? 61 SER B O 1 ATOM 2725 C CB . SER B 2 61 ? -10.860 -56.189 -89.381 1.00 46.03 ? 61 SER B CB 1 ATOM 2726 O OG . SER B 2 61 ? -11.900 -55.605 -90.151 1.00 44.81 ? 61 SER B OG 1 ATOM 2727 N N . PHE B 2 62 ? -9.634 -53.298 -88.555 1.00 45.47 ? 62 PHE B N 1 ATOM 2728 C CA . PHE B 2 62 ? -9.628 -51.853 -88.737 1.00 45.16 ? 62 PHE B CA 1 ATOM 2729 C C . PHE B 2 62 ? -10.028 -51.447 -90.151 1.00 44.34 ? 62 PHE B C 1 ATOM 2730 O O . PHE B 2 62 ? -10.074 -52.286 -91.055 1.00 44.15 ? 62 PHE B O 1 ATOM 2731 C CB . PHE B 2 62 ? -8.271 -51.257 -88.350 1.00 46.10 ? 62 PHE B CB 1 ATOM 2732 C CG . PHE B 2 62 ? -7.956 -51.370 -86.883 1.00 47.20 ? 62 PHE B CG 1 ATOM 2733 C CD1 . PHE B 2 62 ? -7.203 -52.433 -86.400 1.00 48.38 ? 62 PHE B CD1 1 ATOM 2734 C CD2 . PHE B 2 62 ? -8.422 -50.419 -85.983 1.00 47.64 ? 62 PHE B CD2 1 ATOM 2735 C CE1 . PHE B 2 62 ? -6.913 -52.544 -85.043 1.00 49.85 ? 62 PHE B CE1 1 ATOM 2736 C CE2 . PHE B 2 62 ? -8.139 -50.525 -84.621 1.00 49.07 ? 62 PHE B CE2 1 ATOM 2737 C CZ . PHE B 2 62 ? -7.383 -51.587 -84.153 1.00 50.05 ? 62 PHE B CZ 1 ATOM 2738 N N . TYR B 2 63 ? -10.346 -50.162 -90.317 1.00 44.26 ? 63 TYR B N 1 ATOM 2739 C CA . TYR B 2 63 ? -10.672 -49.582 -91.620 1.00 43.78 ? 63 TYR B CA 1 ATOM 2740 C C . TYR B 2 63 ? -10.501 -48.067 -91.594 1.00 44.31 ? 63 TYR B C 1 ATOM 2741 O O . TYR B 2 63 ? -10.742 -47.428 -90.572 1.00 45.04 ? 63 TYR B O 1 ATOM 2742 C CB . TYR B 2 63 ? -12.090 -49.969 -92.080 1.00 43.11 ? 63 TYR B CB 1 ATOM 2743 C CG . TYR B 2 63 ? -13.220 -49.277 -91.345 1.00 43.82 ? 63 TYR B CG 1 ATOM 2744 C CD1 . TYR B 2 63 ? -13.602 -47.975 -91.679 1.00 44.64 ? 63 TYR B CD1 1 ATOM 2745 C CD2 . TYR B 2 63 ? -13.921 -49.931 -90.330 1.00 44.80 ? 63 TYR B CD2 1 ATOM 2746 C CE1 . TYR B 2 63 ? -14.635 -47.331 -91.008 1.00 45.88 ? 63 TYR B CE1 1 ATOM 2747 C CE2 . TYR B 2 63 ? -14.966 -49.299 -89.653 1.00 45.67 ? 63 TYR B CE2 1 ATOM 2748 C CZ . TYR B 2 63 ? -15.316 -47.999 -90.001 1.00 46.39 ? 63 TYR B CZ 1 ATOM 2749 O OH . TYR B 2 63 ? -16.340 -47.360 -89.339 1.00 47.72 ? 63 TYR B OH 1 ATOM 2750 N N . ILE B 2 64 ? -10.093 -47.503 -92.727 1.00 44.38 ? 64 ILE B N 1 ATOM 2751 C CA . ILE B 2 64 ? -9.841 -46.063 -92.849 1.00 45.25 ? 64 ILE B CA 1 ATOM 2752 C C . ILE B 2 64 ? -10.013 -45.610 -94.305 1.00 45.07 ? 64 ILE B C 1 ATOM 2753 O O . ILE B 2 64 ? -9.610 -46.320 -95.231 1.00 44.65 ? 64 ILE B O 1 ATOM 2754 C CB . ILE B 2 64 ? -8.432 -45.682 -92.282 1.00 46.45 ? 64 ILE B CB 1 ATOM 2755 C CG1 . ILE B 2 64 ? -8.169 -44.173 -92.391 1.00 47.96 ? 64 ILE B CG1 1 ATOM 2756 C CG2 . ILE B 2 64 ? -7.325 -46.512 -92.943 1.00 46.24 ? 64 ILE B CG2 1 ATOM 2757 C CD1 . ILE B 2 64 ? -7.060 -43.661 -91.475 1.00 49.75 ? 64 ILE B CD1 1 ATOM 2758 N N . LEU B 2 65 ? -10.622 -44.440 -94.500 1.00 45.63 ? 65 LEU B N 1 ATOM 2759 C CA . LEU B 2 65 ? -10.892 -43.924 -95.842 1.00 45.72 ? 65 LEU B CA 1 ATOM 2760 C C . LEU B 2 65 ? -9.991 -42.752 -96.231 1.00 47.18 ? 65 LEU B C 1 ATOM 2761 O O . LEU B 2 65 ? -10.113 -41.647 -95.692 1.00 48.48 ? 65 LEU B O 1 ATOM 2762 C CB . LEU B 2 65 ? -12.369 -43.533 -95.992 1.00 45.82 ? 65 LEU B CB 1 ATOM 2763 C CG . LEU B 2 65 ? -12.804 -42.954 -97.346 1.00 46.25 ? 65 LEU B CG 1 ATOM 2764 C CD1 . LEU B 2 65 ? -13.220 -44.052 -98.317 1.00 44.92 ? 65 LEU B CD1 1 ATOM 2765 C CD2 . LEU B 2 65 ? -13.928 -41.940 -97.169 1.00 47.49 ? 65 LEU B CD2 1 ATOM 2766 N N . ALA B 2 66 ? -9.096 -43.010 -97.182 1.00 47.23 ? 66 ALA B N 1 ATOM 2767 C CA . ALA B 2 66 ? -8.242 -41.983 -97.777 1.00 48.71 ? 66 ALA B CA 1 ATOM 2768 C C . ALA B 2 66 ? -8.890 -41.469 -99.054 1.00 48.85 ? 66 ALA B C 1 ATOM 2769 O O . ALA B 2 66 ? -9.414 -42.258 -99.842 1.00 47.80 ? 66 ALA B O 1 ATOM 2770 C CB . ALA B 2 66 ? -6.864 -42.558 -98.079 1.00 48.98 ? 66 ALA B CB 1 ATOM 2771 N N . HIS B 2 67 ? -8.862 -40.154 -99.258 1.00 50.46 ? 67 HIS B N 1 ATOM 2772 C CA . HIS B 2 67 ? -9.431 -39.560 -100.471 1.00 51.03 ? 67 HIS B CA 1 ATOM 2773 C C . HIS B 2 67 ? -8.698 -38.294 -100.913 1.00 53.40 ? 67 HIS B C 1 ATOM 2774 O O . HIS B 2 67 ? -8.172 -37.544 -100.082 1.00 54.96 ? 67 HIS B O 1 ATOM 2775 C CB . HIS B 2 67 ? -10.922 -39.268 -100.285 1.00 50.81 ? 67 HIS B CB 1 ATOM 2776 C CG . HIS B 2 67 ? -11.201 -38.048 -99.463 1.00 52.98 ? 67 HIS B CG 1 ATOM 2777 N ND1 . HIS B 2 67 ? -11.228 -38.068 -98.085 1.00 53.14 ? 67 HIS B ND1 1 ATOM 2778 C CD2 . HIS B 2 67 ? -11.458 -36.768 -99.826 1.00 55.13 ? 67 HIS B CD2 1 ATOM 2779 C CE1 . HIS B 2 67 ? -11.493 -36.855 -97.635 1.00 55.18 ? 67 HIS B CE1 1 ATOM 2780 N NE2 . HIS B 2 67 ? -11.639 -36.048 -98.671 1.00 56.81 ? 67 HIS B NE2 1 ATOM 2781 N N . THR B 2 68 ? -8.678 -38.060 -102.224 1.00 53.89 ? 68 THR B N 1 ATOM 2782 C CA . THR B 2 68 ? -8.068 -36.855 -102.791 1.00 56.42 ? 68 THR B CA 1 ATOM 2783 C C . THR B 2 68 ? -8.812 -36.335 -104.020 1.00 57.21 ? 68 THR B C 1 ATOM 2784 O O . THR B 2 68 ? -9.466 -37.098 -104.731 1.00 55.79 ? 68 THR B O 1 ATOM 2785 C CB . THR B 2 68 ? -6.571 -37.066 -103.140 1.00 57.23 ? 68 THR B CB 1 ATOM 2786 O OG1 . THR B 2 68 ? -6.048 -35.877 -103.751 1.00 60.02 ? 68 THR B OG1 1 ATOM 2787 C CG2 . THR B 2 68 ? -6.379 -38.249 -104.087 1.00 55.71 ? 68 THR B CG2 1 ATOM 2788 N N . GLU B 2 69 ? -8.708 -35.030 -104.252 1.00 59.80 ? 69 GLU B N 1 ATOM 2789 C CA . GLU B 2 69 ? -9.247 -34.407 -105.454 1.00 61.31 ? 69 GLU B CA 1 ATOM 2790 C C . GLU B 2 69 ? -8.334 -34.726 -106.634 1.00 61.63 ? 69 GLU B C 1 ATOM 2791 O O . GLU B 2 69 ? -7.108 -34.639 -106.516 1.00 62.75 ? 69 GLU B O 1 ATOM 2792 C CB . GLU B 2 69 ? -9.374 -32.888 -105.271 1.00 64.58 ? 69 GLU B CB 1 ATOM 2793 N N . PHE B 2 70 ? -8.929 -35.102 -107.765 1.00 60.97 ? 70 PHE B N 1 ATOM 2794 C CA . PHE B 2 70 ? -8.163 -35.489 -108.947 1.00 61.23 ? 70 PHE B CA 1 ATOM 2795 C C . PHE B 2 70 ? -8.929 -35.232 -110.242 1.00 62.29 ? 70 PHE B C 1 ATOM 2796 O O . PHE B 2 70 ? -10.148 -35.065 -110.231 1.00 62.05 ? 70 PHE B O 1 ATOM 2797 C CB . PHE B 2 70 ? -7.737 -36.965 -108.845 1.00 58.75 ? 70 PHE B CB 1 ATOM 2798 C CG . PHE B 2 70 ? -8.761 -37.946 -109.357 1.00 56.42 ? 70 PHE B CG 1 ATOM 2799 C CD1 . PHE B 2 70 ? -10.046 -37.993 -108.826 1.00 54.98 ? 70 PHE B CD1 1 ATOM 2800 C CD2 . PHE B 2 70 ? -8.425 -38.843 -110.357 1.00 55.97 ? 70 PHE B CD2 1 ATOM 2801 C CE1 . PHE B 2 70 ? -10.980 -38.902 -109.299 1.00 53.20 ? 70 PHE B CE1 1 ATOM 2802 C CE2 . PHE B 2 70 ? -9.354 -39.758 -110.834 1.00 54.61 ? 70 PHE B CE2 1 ATOM 2803 C CZ . PHE B 2 70 ? -10.635 -39.785 -110.304 1.00 53.18 ? 70 PHE B CZ 1 ATOM 2804 N N . THR B 2 71 ? -8.197 -35.197 -111.353 1.00 63.75 ? 71 THR B N 1 ATOM 2805 C CA . THR B 2 71 ? -8.790 -35.100 -112.680 1.00 64.72 ? 71 THR B CA 1 ATOM 2806 C C . THR B 2 71 ? -8.370 -36.322 -113.495 1.00 63.65 ? 71 THR B C 1 ATOM 2807 O O . THR B 2 71 ? -7.182 -36.501 -113.771 1.00 64.60 ? 71 THR B O 1 ATOM 2808 C CB . THR B 2 71 ? -8.380 -33.793 -113.391 1.00 68.18 ? 71 THR B CB 1 ATOM 2809 O OG1 . THR B 2 71 ? -8.918 -32.679 -112.674 1.00 69.61 ? 71 THR B OG1 1 ATOM 2810 C CG2 . THR B 2 71 ? -8.908 -33.757 -114.815 1.00 69.51 ? 71 THR B CG2 1 ATOM 2811 N N . PRO B 2 72 ? -9.342 -37.176 -113.870 1.00 62.05 ? 72 PRO B N 1 ATOM 2812 C CA . PRO B 2 72 ? -9.013 -38.377 -114.630 1.00 61.30 ? 72 PRO B CA 1 ATOM 2813 C C . PRO B 2 72 ? -8.785 -38.087 -116.112 1.00 63.67 ? 72 PRO B C 1 ATOM 2814 O O . PRO B 2 72 ? -9.472 -37.249 -116.699 1.00 65.10 ? 72 PRO B O 1 ATOM 2815 C CB . PRO B 2 72 ? -10.241 -39.278 -114.437 1.00 59.13 ? 72 PRO B CB 1 ATOM 2816 C CG . PRO B 2 72 ? -11.262 -38.461 -113.703 1.00 58.97 ? 72 PRO B CG 1 ATOM 2817 C CD . PRO B 2 72 ? -10.791 -37.054 -113.640 1.00 61.26 ? 72 PRO B CD 1 ATOM 2818 N N . THR B 2 73 ? -7.804 -38.774 -116.690 1.00 64.40 ? 73 THR B N 1 ATOM 2819 C CA . THR B 2 73 ? -7.497 -38.685 -118.117 1.00 66.92 ? 73 THR B CA 1 ATOM 2820 C C . THR B 2 73 ? -7.341 -40.086 -118.710 1.00 66.43 ? 73 THR B C 1 ATOM 2821 O O . THR B 2 73 ? -7.467 -41.087 -118.001 1.00 64.19 ? 73 THR B O 1 ATOM 2822 C CB . THR B 2 73 ? -6.198 -37.886 -118.386 1.00 69.54 ? 73 THR B CB 1 ATOM 2823 O OG1 . THR B 2 73 ? -5.108 -38.492 -117.683 1.00 68.67 ? 73 THR B OG1 1 ATOM 2824 C CG2 . THR B 2 73 ? -6.341 -36.421 -117.966 1.00 70.98 ? 73 THR B CG2 1 ATOM 2825 N N . GLU B 2 74 ? -7.057 -40.146 -120.008 1.00 68.88 ? 74 GLU B N 1 ATOM 2826 C CA . GLU B 2 74 ? -6.884 -41.415 -120.711 1.00 69.29 ? 74 GLU B CA 1 ATOM 2827 C C . GLU B 2 74 ? -5.556 -42.095 -120.379 1.00 69.78 ? 74 GLU B C 1 ATOM 2828 O O . GLU B 2 74 ? -5.411 -43.303 -120.563 1.00 69.60 ? 74 GLU B O 1 ATOM 2829 C CB . GLU B 2 74 ? -6.990 -41.214 -122.227 1.00 72.01 ? 74 GLU B CB 1 ATOM 2830 C CG . GLU B 2 74 ? -8.322 -40.655 -122.712 1.00 72.28 ? 74 GLU B CG 1 ATOM 2831 C CD . GLU B 2 74 ? -8.483 -40.736 -124.221 1.00 75.15 ? 74 GLU B CD 1 ATOM 2832 O OE1 . GLU B 2 74 ? -8.272 -41.826 -124.797 1.00 75.74 ? 74 GLU B OE1 1 ATOM 2833 O OE2 . GLU B 2 74 ? -8.832 -39.707 -124.835 1.00 77.31 ? 74 GLU B OE2 1 ATOM 2834 N N . THR B 2 75 ? -4.593 -41.318 -119.891 1.00 70.92 ? 75 THR B N 1 ATOM 2835 C CA . THR B 2 75 ? -3.229 -41.813 -119.688 1.00 72.20 ? 75 THR B CA 1 ATOM 2836 C C . THR B 2 75 ? -2.696 -41.691 -118.256 1.00 70.87 ? 75 THR B C 1 ATOM 2837 O O . THR B 2 75 ? -2.003 -42.599 -117.789 1.00 70.70 ? 75 THR B O 1 ATOM 2838 C CB . THR B 2 75 ? -2.235 -41.161 -120.671 1.00 75.80 ? 75 THR B CB 1 ATOM 2839 O OG1 . THR B 2 75 ? -2.672 -39.832 -120.983 1.00 76.87 ? 75 THR B OG1 1 ATOM 2840 C CG2 . THR B 2 75 ? -2.153 -41.970 -121.954 1.00 77.65 ? 75 THR B CG2 1 ATOM 2841 N N . ASP B 2 76 ? -3.007 -40.584 -117.574 1.00 70.27 ? 76 ASP B N 1 ATOM 2842 C CA . ASP B 2 76 ? -2.586 -40.389 -116.180 1.00 69.11 ? 76 ASP B CA 1 ATOM 2843 C C . ASP B 2 76 ? -3.082 -41.546 -115.313 1.00 66.21 ? 76 ASP B C 1 ATOM 2844 O O . ASP B 2 76 ? -4.279 -41.830 -115.276 1.00 64.37 ? 76 ASP B O 1 ATOM 2845 C CB . ASP B 2 76 ? -3.091 -39.050 -115.620 1.00 69.10 ? 76 ASP B CB 1 ATOM 2846 C CG . ASP B 2 76 ? -2.359 -37.844 -116.208 1.00 72.68 ? 76 ASP B CG 1 ATOM 2847 O OD1 . ASP B 2 76 ? -1.127 -37.724 -116.016 1.00 74.36 ? 76 ASP B OD1 1 ATOM 2848 O OD2 . ASP B 2 76 ? -3.024 -37.000 -116.849 1.00 73.94 ? 76 ASP B OD2 1 ATOM 2849 N N . THR B 2 77 ? -2.158 -42.224 -114.638 1.00 66.20 ? 77 THR B N 1 ATOM 2850 C CA . THR B 2 77 ? -2.511 -43.392 -113.832 1.00 64.11 ? 77 THR B CA 1 ATOM 2851 C C . THR B 2 77 ? -2.578 -43.038 -112.361 1.00 62.44 ? 77 THR B C 1 ATOM 2852 O O . THR B 2 77 ? -1.764 -42.255 -111.867 1.00 63.80 ? 77 THR B O 1 ATOM 2853 C CB . THR B 2 77 ? -1.508 -44.550 -114.000 1.00 65.41 ? 77 THR B CB 1 ATOM 2854 O OG1 . THR B 2 77 ? -0.198 -44.111 -113.613 1.00 67.50 ? 77 THR B OG1 1 ATOM 2855 C CG2 . THR B 2 77 ? -1.490 -45.054 -115.444 1.00 67.43 ? 77 THR B CG2 1 ATOM 2856 N N . TYR B 2 78 ? -3.543 -43.633 -111.668 1.00 59.87 ? 78 TYR B N 1 ATOM 2857 C CA . TYR B 2 78 ? -3.734 -43.388 -110.247 1.00 58.21 ? 78 TYR B CA 1 ATOM 2858 C C . TYR B 2 78 ? -3.643 -44.677 -109.452 1.00 56.84 ? 78 TYR B C 1 ATOM 2859 O O . TYR B 2 78 ? -4.194 -45.703 -109.854 1.00 56.05 ? 78 TYR B O 1 ATOM 2860 C CB . TYR B 2 78 ? -5.073 -42.705 -110.006 1.00 56.80 ? 78 TYR B CB 1 ATOM 2861 C CG . TYR B 2 78 ? -5.110 -41.284 -110.499 1.00 58.53 ? 78 TYR B CG 1 ATOM 2862 C CD1 . TYR B 2 78 ? -5.496 -40.987 -111.805 1.00 59.63 ? 78 TYR B CD1 1 ATOM 2863 C CD2 . TYR B 2 78 ? -4.752 -40.230 -109.660 1.00 59.46 ? 78 TYR B CD2 1 ATOM 2864 C CE1 . TYR B 2 78 ? -5.527 -39.672 -112.263 1.00 61.60 ? 78 TYR B CE1 1 ATOM 2865 C CE2 . TYR B 2 78 ? -4.782 -38.915 -110.107 1.00 61.38 ? 78 TYR B CE2 1 ATOM 2866 C CZ . TYR B 2 78 ? -5.168 -38.645 -111.407 1.00 62.39 ? 78 TYR B CZ 1 ATOM 2867 O OH . TYR B 2 78 ? -5.200 -37.344 -111.847 1.00 65.07 ? 78 TYR B OH 1 ATOM 2868 N N . ALA B 2 79 ? -2.943 -44.615 -108.323 1.00 56.78 ? 79 ALA B N 1 ATOM 2869 C CA . ALA B 2 79 ? -2.699 -45.795 -107.502 1.00 56.02 ? 79 ALA B CA 1 ATOM 2870 C C . ALA B 2 79 ? -2.856 -45.512 -106.012 1.00 54.79 ? 79 ALA B C 1 ATOM 2871 O O . ALA B 2 79 ? -2.877 -44.353 -105.587 1.00 55.08 ? 79 ALA B O 1 ATOM 2872 C CB . ALA B 2 79 ? -1.314 -46.356 -107.789 1.00 58.23 ? 79 ALA B CB 1 ATOM 2873 N N . CYS B 2 80 ? -2.972 -46.581 -105.227 1.00 53.67 ? 80 CYS B N 1 ATOM 2874 C CA . CYS B 2 80 ? -2.970 -46.477 -103.776 1.00 52.72 ? 80 CYS B CA 1 ATOM 2875 C C . CYS B 2 80 ? -1.989 -47.478 -103.167 1.00 53.53 ? 80 CYS B C 1 ATOM 2876 O O . CYS B 2 80 ? -2.148 -48.690 -103.308 1.00 53.29 ? 80 CYS B O 1 ATOM 2877 C CB . CYS B 2 80 ? -4.372 -46.675 -103.219 1.00 50.57 ? 80 CYS B CB 1 ATOM 2878 S SG . CYS B 2 80 ? -4.567 -45.989 -101.580 1.00 50.24 ? 80 CYS B SG 1 ATOM 2879 N N . ARG B 2 81 ? -0.965 -46.948 -102.506 1.00 54.88 ? 81 ARG B N 1 ATOM 2880 C CA . ARG B 2 81 ? 0.122 -47.747 -101.956 1.00 56.33 ? 81 ARG B CA 1 ATOM 2881 C C . ARG B 2 81 ? -0.031 -47.848 -100.440 1.00 55.60 ? 81 ARG B C 1 ATOM 2882 O O . ARG B 2 81 ? -0.181 -46.835 -99.751 1.00 55.36 ? 81 ARG B O 1 ATOM 2883 C CB . ARG B 2 81 ? 1.474 -47.123 -102.329 1.00 58.97 ? 81 ARG B CB 1 ATOM 2884 C CG . ARG B 2 81 ? 2.680 -48.032 -102.137 1.00 60.97 ? 81 ARG B CG 1 ATOM 2885 N N . VAL B 2 82 ? 0.008 -49.075 -99.926 1.00 55.55 ? 82 VAL B N 1 ATOM 2886 C CA . VAL B 2 82 ? -0.230 -49.326 -98.505 1.00 54.84 ? 82 VAL B CA 1 ATOM 2887 C C . VAL B 2 82 ? 0.923 -50.104 -97.863 1.00 56.88 ? 82 VAL B C 1 ATOM 2888 O O . VAL B 2 82 ? 1.320 -51.162 -98.357 1.00 58.06 ? 82 VAL B O 1 ATOM 2889 C CB . VAL B 2 82 ? -1.586 -50.051 -98.295 1.00 52.64 ? 82 VAL B CB 1 ATOM 2890 C CG1 . VAL B 2 82 ? -1.672 -50.695 -96.925 1.00 52.56 ? 82 VAL B CG1 1 ATOM 2891 C CG2 . VAL B 2 82 ? -2.740 -49.083 -98.503 1.00 50.80 ? 82 VAL B CG2 1 ATOM 2892 N N . LYS B 2 83 ? 1.457 -49.563 -96.769 1.00 57.63 ? 83 LYS B N 1 ATOM 2893 C CA . LYS B 2 83 ? 2.515 -50.222 -96.006 1.00 59.77 ? 83 LYS B CA 1 ATOM 2894 C C . LYS B 2 83 ? 1.963 -50.727 -94.672 1.00 58.73 ? 83 LYS B C 1 ATOM 2895 O O . LYS B 2 83 ? 1.421 -49.957 -93.880 1.00 57.61 ? 83 LYS B O 1 ATOM 2896 C CB . LYS B 2 83 ? 3.701 -49.272 -95.786 1.00 62.13 ? 83 LYS B CB 1 ATOM 2897 C CG . LYS B 2 83 ? 5.004 -49.958 -95.384 1.00 65.06 ? 83 LYS B CG 1 ATOM 2898 N N . HIS B 2 84 ? 2.096 -52.026 -94.439 1.00 59.40 ? 84 HIS B N 1 ATOM 2899 C CA . HIS B 2 84 ? 1.564 -52.649 -93.236 1.00 58.83 ? 84 HIS B CA 1 ATOM 2900 C C . HIS B 2 84 ? 2.456 -53.797 -92.804 1.00 61.37 ? 84 HIS B C 1 ATOM 2901 O O . HIS B 2 84 ? 3.082 -54.447 -93.639 1.00 63.15 ? 84 HIS B O 1 ATOM 2902 C CB . HIS B 2 84 ? 0.136 -53.145 -93.474 1.00 56.46 ? 84 HIS B CB 1 ATOM 2903 C CG . HIS B 2 84 ? -0.583 -53.533 -92.220 1.00 55.74 ? 84 HIS B CG 1 ATOM 2904 N ND1 . HIS B 2 84 ? -0.787 -54.846 -91.857 1.00 56.17 ? 84 HIS B ND1 1 ATOM 2905 C CD2 . HIS B 2 84 ? -1.133 -52.780 -91.238 1.00 54.66 ? 84 HIS B CD2 1 ATOM 2906 C CE1 . HIS B 2 84 ? -1.438 -54.886 -90.708 1.00 55.51 ? 84 HIS B CE1 1 ATOM 2907 N NE2 . HIS B 2 84 ? -1.659 -53.645 -90.310 1.00 54.47 ? 84 HIS B NE2 1 ATOM 2908 N N . ALA B 2 85 ? 2.500 -54.046 -91.498 1.00 62.00 ? 85 ALA B N 1 ATOM 2909 C CA . ALA B 2 85 ? 3.397 -55.048 -90.914 1.00 64.87 ? 85 ALA B CA 1 ATOM 2910 C C . ALA B 2 85 ? 3.061 -56.498 -91.287 1.00 65.48 ? 85 ALA B C 1 ATOM 2911 O O . ALA B 2 85 ? 3.872 -57.398 -91.062 1.00 68.31 ? 85 ALA B O 1 ATOM 2912 C CB . ALA B 2 85 ? 3.457 -54.885 -89.399 1.00 65.39 ? 85 ALA B CB 1 ATOM 2913 N N . SER B 2 86 ? 1.876 -56.718 -91.853 1.00 63.24 ? 86 SER B N 1 ATOM 2914 C CA . SER B 2 86 ? 1.468 -58.044 -92.319 1.00 64.02 ? 86 SER B CA 1 ATOM 2915 C C . SER B 2 86 ? 2.019 -58.351 -93.709 1.00 65.54 ? 86 SER B C 1 ATOM 2916 O O . SER B 2 86 ? 1.941 -59.489 -94.175 1.00 67.08 ? 86 SER B O 1 ATOM 2917 C CB . SER B 2 86 ? -0.051 -58.160 -92.330 1.00 61.32 ? 86 SER B CB 1 ATOM 2918 O OG . SER B 2 86 ? -0.614 -57.183 -93.186 1.00 59.37 ? 86 SER B OG 1 ATOM 2919 N N . MET B 2 87 ? 2.568 -57.327 -94.360 1.00 65.49 ? 87 MET B N 1 ATOM 2920 C CA . MET B 2 87 ? 3.172 -57.448 -95.689 1.00 67.17 ? 87 MET B CA 1 ATOM 2921 C C . MET B 2 87 ? 4.680 -57.217 -95.659 1.00 70.33 ? 87 MET B C 1 ATOM 2922 O O . MET B 2 87 ? 5.172 -56.378 -94.900 1.00 70.41 ? 87 MET B O 1 ATOM 2923 C CB . MET B 2 87 ? 2.529 -56.451 -96.649 1.00 64.74 ? 87 MET B CB 1 ATOM 2924 C CG . MET B 2 87 ? 1.433 -57.037 -97.511 1.00 63.66 ? 87 MET B CG 1 ATOM 2925 S SD . MET B 2 87 ? -0.049 -56.010 -97.577 1.00 60.65 ? 87 MET B SD 1 ATOM 2926 C CE . MET B 2 87 ? 0.629 -54.352 -97.694 1.00 60.04 ? 87 MET B CE 1 ATOM 2927 N N . ALA B 2 88 ? 5.401 -57.966 -96.492 1.00 73.29 ? 88 ALA B N 1 ATOM 2928 C CA . ALA B 2 88 ? 6.845 -57.798 -96.645 1.00 76.70 ? 88 ALA B CA 1 ATOM 2929 C C . ALA B 2 88 ? 7.146 -56.516 -97.422 1.00 76.03 ? 88 ALA B C 1 ATOM 2930 O O . ALA B 2 88 ? 7.860 -55.636 -96.934 1.00 76.77 ? 88 ALA B O 1 ATOM 2931 C CB . ALA B 2 88 ? 7.449 -59.011 -97.340 1.00 80.34 ? 88 ALA B CB 1 ATOM 2932 N N . GLU B 2 89 ? 6.590 -56.420 -98.628 1.00 74.84 ? 89 GLU B N 1 ATOM 2933 C CA . GLU B 2 89 ? 6.688 -55.220 -99.451 1.00 73.97 ? 89 GLU B CA 1 ATOM 2934 C C . GLU B 2 89 ? 5.348 -54.475 -99.432 1.00 69.76 ? 89 GLU B C 1 ATOM 2935 O O . GLU B 2 89 ? 4.309 -55.086 -99.170 1.00 67.79 ? 89 GLU B O 1 ATOM 2936 C CB . GLU B 2 89 ? 7.086 -55.592 -100.884 1.00 76.12 ? 89 GLU B CB 1 ATOM 2937 N N . PRO B 2 90 ? 5.364 -53.151 -99.691 1.00 68.74 ? 90 PRO B N 1 ATOM 2938 C CA . PRO B 2 90 ? 4.102 -52.406 -99.734 1.00 65.25 ? 90 PRO B CA 1 ATOM 2939 C C . PRO B 2 90 ? 3.225 -52.840 -100.906 1.00 64.01 ? 90 PRO B C 1 ATOM 2940 O O . PRO B 2 90 ? 3.743 -53.146 -101.978 1.00 66.01 ? 90 PRO B O 1 ATOM 2941 C CB . PRO B 2 90 ? 4.557 -50.954 -99.929 1.00 65.62 ? 90 PRO B CB 1 ATOM 2942 C CG . PRO B 2 90 ? 5.976 -50.927 -99.483 1.00 68.78 ? 90 PRO B CG 1 ATOM 2943 C CD . PRO B 2 90 ? 6.526 -52.261 -99.860 1.00 71.03 ? 90 PRO B CD 1 ATOM 2944 N N . LYS B 2 91 ? 1.912 -52.873 -100.692 1.00 61.08 ? 91 LYS B N 1 ATOM 2945 C CA . LYS B 2 91 ? 0.966 -53.245 -101.747 1.00 59.83 ? 91 LYS B CA 1 ATOM 2946 C C . LYS B 2 91 ? 0.440 -52.007 -102.469 1.00 58.33 ? 91 LYS B C 1 ATOM 2947 O O . LYS B 2 91 ? -0.097 -51.089 -101.842 1.00 56.55 ? 91 LYS B O 1 ATOM 2948 C CB . LYS B 2 91 ? -0.201 -54.061 -101.178 1.00 57.97 ? 91 LYS B CB 1 ATOM 2949 C CG . LYS B 2 91 ? -0.934 -54.922 -102.207 1.00 57.76 ? 91 LYS B CG 1 ATOM 2950 C CD . LYS B 2 91 ? -2.288 -55.411 -101.686 0.70 55.66 ? 91 LYS B CD 1 ATOM 2951 C CE . LYS B 2 91 ? -2.150 -56.420 -100.547 0.70 56.35 ? 91 LYS B CE 1 ATOM 2952 N NZ . LYS B 2 91 ? -3.471 -56.883 -100.033 0.70 54.39 ? 91 LYS B NZ 1 ATOM 2953 N N . THR B 2 92 ? 0.603 -51.999 -103.790 1.00 59.29 ? 92 THR B N 1 ATOM 2954 C CA . THR B 2 92 ? 0.092 -50.933 -104.640 1.00 58.27 ? 92 THR B CA 1 ATOM 2955 C C . THR B 2 92 ? -1.109 -51.436 -105.436 1.00 56.98 ? 92 THR B C 1 ATOM 2956 O O . THR B 2 92 ? -1.007 -52.421 -106.181 1.00 58.32 ? 92 THR B O 1 ATOM 2957 C CB . THR B 2 92 ? 1.176 -50.420 -105.613 1.00 60.82 ? 92 THR B CB 1 ATOM 2958 O OG1 . THR B 2 92 ? 2.345 -50.040 -104.877 1.00 62.70 ? 92 THR B OG1 1 ATOM 2959 C CG2 . THR B 2 92 ? 0.678 -49.218 -106.403 1.00 60.18 ? 92 THR B CG2 1 ATOM 2960 N N . VAL B 2 93 ? -2.245 -50.764 -105.262 1.00 54.62 ? 93 VAL B N 1 ATOM 2961 C CA . VAL B 2 93 ? -3.438 -51.034 -106.064 1.00 53.50 ? 93 VAL B CA 1 ATOM 2962 C C . VAL B 2 93 ? -3.777 -49.835 -106.957 1.00 53.34 ? 93 VAL B C 1 ATOM 2963 O O . VAL B 2 93 ? -4.130 -48.755 -106.469 1.00 52.34 ? 93 VAL B O 1 ATOM 2964 C CB . VAL B 2 93 ? -4.646 -51.454 -105.186 1.00 51.41 ? 93 VAL B CB 1 ATOM 2965 C CG1 . VAL B 2 93 ? -5.964 -51.307 -105.948 1.00 50.24 ? 93 VAL B CG1 1 ATOM 2966 C CG2 . VAL B 2 93 ? -4.473 -52.890 -104.702 1.00 52.06 ? 93 VAL B CG2 1 ATOM 2967 N N . TYR B 2 94 ? -3.646 -50.041 -108.266 1.00 54.61 ? 94 TYR B N 1 ATOM 2968 C CA . TYR B 2 94 ? -3.975 -49.025 -109.260 1.00 54.80 ? 94 TYR B CA 1 ATOM 2969 C C . TYR B 2 94 ? -5.482 -48.909 -109.452 1.00 53.13 ? 94 TYR B C 1 ATOM 2970 O O . TYR B 2 94 ? -6.208 -49.895 -109.322 1.00 52.44 ? 94 TYR B O 1 ATOM 2971 C CB . TYR B 2 94 ? -3.314 -49.359 -110.597 1.00 57.11 ? 94 TYR B CB 1 ATOM 2972 C CG . TYR B 2 94 ? -1.813 -49.201 -110.598 1.00 59.21 ? 94 TYR B CG 1 ATOM 2973 C CD1 . TYR B 2 94 ? -0.978 -50.283 -110.314 1.00 60.37 ? 94 TYR B CD1 1 ATOM 2974 C CD2 . TYR B 2 94 ? -1.226 -47.971 -110.889 1.00 60.03 ? 94 TYR B CD2 1 ATOM 2975 C CE1 . TYR B 2 94 ? 0.405 -50.141 -110.316 1.00 62.66 ? 94 TYR B CE1 1 ATOM 2976 C CE2 . TYR B 2 94 ? 0.154 -47.817 -110.893 1.00 62.50 ? 94 TYR B CE2 1 ATOM 2977 C CZ . TYR B 2 94 ? 0.964 -48.904 -110.608 1.00 63.79 ? 94 TYR B CZ 1 ATOM 2978 O OH . TYR B 2 94 ? 2.332 -48.751 -110.617 1.00 66.47 ? 94 TYR B OH 1 ATOM 2979 N N . TRP B 2 95 ? -5.942 -47.701 -109.766 1.00 52.89 ? 95 TRP B N 1 ATOM 2980 C CA . TRP B 2 95 ? -7.356 -47.445 -110.020 1.00 51.72 ? 95 TRP B CA 1 ATOM 2981 C C . TRP B 2 95 ? -7.807 -48.015 -111.361 1.00 52.82 ? 95 TRP B C 1 ATOM 2982 O O . TRP B 2 95 ? -7.151 -47.821 -112.389 1.00 54.57 ? 95 TRP B O 1 ATOM 2983 C CB . TRP B 2 95 ? -7.643 -45.944 -109.962 1.00 51.64 ? 95 TRP B CB 1 ATOM 2984 C CG . TRP B 2 95 ? -9.062 -45.567 -110.288 1.00 50.90 ? 95 TRP B CG 1 ATOM 2985 C CD1 . TRP B 2 95 ? -10.202 -46.144 -109.799 1.00 49.48 ? 95 TRP B CD1 1 ATOM 2986 C CD2 . TRP B 2 95 ? -9.490 -44.507 -111.153 1.00 52.16 ? 95 TRP B CD2 1 ATOM 2987 N NE1 . TRP B 2 95 ? -11.312 -45.520 -110.318 1.00 49.79 ? 95 TRP B NE1 1 ATOM 2988 C CE2 . TRP B 2 95 ? -10.904 -44.509 -111.150 1.00 51.60 ? 95 TRP B CE2 1 ATOM 2989 C CE3 . TRP B 2 95 ? -8.816 -43.558 -111.934 1.00 53.89 ? 95 TRP B CE3 1 ATOM 2990 C CZ2 . TRP B 2 95 ? -11.658 -43.593 -111.898 1.00 52.62 ? 95 TRP B CZ2 1 ATOM 2991 C CZ3 . TRP B 2 95 ? -9.567 -42.651 -112.681 1.00 54.92 ? 95 TRP B CZ3 1 ATOM 2992 C CH2 . TRP B 2 95 ? -10.972 -42.677 -112.655 1.00 54.22 ? 95 TRP B CH2 1 ATOM 2993 N N . ASP B 2 96 ? -8.934 -48.720 -111.328 1.00 52.05 ? 96 ASP B N 1 ATOM 2994 C CA . ASP B 2 96 ? -9.556 -49.290 -112.517 1.00 53.28 ? 96 ASP B CA 1 ATOM 2995 C C . ASP B 2 96 ? -11.008 -48.816 -112.570 1.00 52.54 ? 96 ASP B C 1 ATOM 2996 O O . ASP B 2 96 ? -11.862 -49.299 -111.819 1.00 51.46 ? 96 ASP B O 1 ATOM 2997 C CB . ASP B 2 96 ? -9.470 -50.823 -112.476 1.00 53.65 ? 96 ASP B CB 1 ATOM 2998 C CG . ASP B 2 96 ? -9.951 -51.482 -113.759 1.00 55.49 ? 96 ASP B CG 1 ATOM 2999 O OD1 . ASP B 2 96 ? -10.437 -50.777 -114.668 1.00 56.27 ? 96 ASP B OD1 1 ATOM 3000 O OD2 . ASP B 2 96 ? -9.842 -52.723 -113.860 1.00 56.99 ? 96 ASP B OD2 1 ATOM 3001 N N . ARG B 2 97 ? -11.277 -47.853 -113.450 1.00 53.57 ? 97 ARG B N 1 ATOM 3002 C CA . ARG B 2 97 ? -12.585 -47.198 -113.508 1.00 53.19 ? 97 ARG B CA 1 ATOM 3003 C C . ARG B 2 97 ? -13.684 -48.129 -114.020 1.00 53.44 ? 97 ARG B C 1 ATOM 3004 O O . ARG B 2 97 ? -14.864 -47.934 -113.715 1.00 52.91 ? 97 ARG B O 1 ATOM 3005 C CB . ARG B 2 97 ? -12.519 -45.911 -114.340 1.00 54.54 ? 97 ARG B CB 1 ATOM 3006 C CG . ARG B 2 97 ? -12.221 -46.121 -115.817 1.00 56.64 ? 97 ARG B CG 1 ATOM 3007 C CD . ARG B 2 97 ? -12.142 -44.806 -116.564 1.00 58.06 ? 97 ARG B CD 1 ATOM 3008 N NE . ARG B 2 97 ? -10.896 -44.097 -116.288 1.00 58.48 ? 97 ARG B NE 1 ATOM 3009 C CZ . ARG B 2 97 ? -10.511 -42.981 -116.900 1.00 60.07 ? 97 ARG B CZ 1 ATOM 3010 N NH1 . ARG B 2 97 ? -11.272 -42.430 -117.838 1.00 61.30 ? 97 ARG B NH1 1 ATOM 3011 N NH2 . ARG B 2 97 ? -9.357 -42.414 -116.574 1.00 60.79 ? 97 ARG B NH2 1 ATOM 3012 N N . ASP B 2 98 ? -13.284 -49.139 -114.788 1.00 54.66 ? 98 ASP B N 1 ATOM 3013 C CA . ASP B 2 98 ? -14.213 -50.146 -115.301 1.00 55.47 ? 98 ASP B CA 1 ATOM 3014 C C . ASP B 2 98 ? -14.679 -51.100 -114.201 1.00 54.25 ? 98 ASP B C 1 ATOM 3015 O O . ASP B 2 98 ? -15.796 -51.607 -114.255 1.00 54.47 ? 98 ASP B O 1 ATOM 3016 C CB . ASP B 2 98 ? -13.589 -50.925 -116.465 1.00 57.54 ? 98 ASP B CB 1 ATOM 3017 C CG . ASP B 2 98 ? -13.204 -50.028 -117.637 1.00 59.20 ? 98 ASP B CG 1 ATOM 3018 O OD1 . ASP B 2 98 ? -13.975 -49.101 -117.975 1.00 59.44 ? 98 ASP B OD1 1 ATOM 3019 O OD2 . ASP B 2 98 ? -12.125 -50.255 -118.225 1.00 60.73 ? 98 ASP B OD2 1 ATOM 3020 N N . MET B 2 99 ? -13.819 -51.341 -113.213 1.00 53.38 ? 99 MET B N 1 ATOM 3021 C CA . MET B 2 99 ? -14.188 -52.135 -112.042 1.00 52.32 ? 99 MET B CA 1 ATOM 3022 C C . MET B 2 99 ? -14.964 -51.272 -111.061 1.00 50.83 ? 99 MET B C 1 ATOM 3023 O O . MET B 2 99 ? -15.809 -51.771 -110.324 1.00 50.47 ? 99 MET B O 1 ATOM 3024 C CB . MET B 2 99 ? -12.953 -52.738 -111.358 1.00 52.20 ? 99 MET B CB 1 ATOM 3025 C CG . MET B 2 99 ? -12.635 -54.172 -111.774 1.00 53.71 ? 99 MET B CG 1 ATOM 3026 N N . THR C 3 1 ? 5.919 -30.421 -55.394 1.00 69.70 ? 1 THR C N 1 ATOM 3027 C CA . THR C 3 1 ? 5.394 -31.716 -54.871 1.00 64.46 ? 1 THR C CA 1 ATOM 3028 C C . THR C 3 1 ? 3.873 -31.769 -54.969 1.00 60.88 ? 1 THR C C 1 ATOM 3029 O O . THR C 3 1 ? 3.207 -30.732 -55.036 1.00 61.96 ? 1 THR C O 1 ATOM 3030 C CB . THR C 3 1 ? 5.802 -31.949 -53.402 1.00 63.00 ? 1 THR C CB 1 ATOM 3031 O OG1 . THR C 3 1 ? 7.066 -31.325 -53.141 1.00 67.38 ? 1 THR C OG1 1 ATOM 3032 C CG2 . THR C 3 1 ? 5.891 -33.448 -53.104 1.00 60.04 ? 1 THR C CG2 1 ATOM 3033 N N . GLN C 3 2 ? 3.334 -32.984 -54.955 1.00 57.14 ? 2 GLN C N 1 ATOM 3034 C CA . GLN C 3 2 ? 1.907 -33.202 -55.156 1.00 54.25 ? 2 GLN C CA 1 ATOM 3035 C C . GLN C 3 2 ? 1.072 -33.209 -53.871 1.00 51.08 ? 2 GLN C C 1 ATOM 3036 O O . GLN C 3 2 ? -0.135 -32.968 -53.919 1.00 50.02 ? 2 GLN C O 1 ATOM 3037 C CB . GLN C 3 2 ? 1.678 -34.488 -55.957 1.00 53.07 ? 2 GLN C CB 1 ATOM 3038 C CG . GLN C 3 2 ? 1.941 -34.342 -57.454 1.00 56.34 ? 2 GLN C CG 1 ATOM 3039 C CD . GLN C 3 2 ? 1.839 -35.659 -58.203 1.00 56.45 ? 2 GLN C CD 1 ATOM 3040 O OE1 . GLN C 3 2 ? 0.966 -36.487 -57.926 1.00 53.92 ? 2 GLN C OE1 1 ATOM 3041 N NE2 . GLN C 3 2 ? 2.733 -35.858 -59.166 1.00 60.02 ? 2 GLN C NE2 1 ATOM 3042 N N . VAL C 3 3 ? 1.705 -33.498 -52.736 1.00 49.99 ? 3 VAL C N 1 ATOM 3043 C CA . VAL C 3 3 ? 1.024 -33.488 -51.435 1.00 47.51 ? 3 VAL C CA 1 ATOM 3044 C C . VAL C 3 3 ? 1.744 -32.517 -50.503 1.00 49.16 ? 3 VAL C C 1 ATOM 3045 O O . VAL C 3 3 ? 2.883 -32.764 -50.105 1.00 50.31 ? 3 VAL C O 1 ATOM 3046 C CB . VAL C 3 3 ? 0.992 -34.889 -50.770 1.00 45.11 ? 3 VAL C CB 1 ATOM 3047 C CG1 . VAL C 3 3 ? 0.080 -34.876 -49.555 1.00 43.83 ? 3 VAL C CG1 1 ATOM 3048 C CG2 . VAL C 3 3 ? 0.538 -35.951 -51.745 1.00 44.03 ? 3 VAL C CG2 1 ATOM 3049 N N . GLU C 3 4 ? 1.083 -31.415 -50.161 1.00 49.79 ? 4 GLU C N 1 ATOM 3050 C CA . GLU C 3 4 ? 1.692 -30.391 -49.314 1.00 51.89 ? 4 GLU C CA 1 ATOM 3051 C C . GLU C 3 4 ? 0.992 -30.271 -47.967 1.00 50.35 ? 4 GLU C C 1 ATOM 3052 O O . GLU C 3 4 ? -0.236 -30.234 -47.895 1.00 49.15 ? 4 GLU C O 1 ATOM 3053 C CB . GLU C 3 4 ? 1.722 -29.038 -50.028 1.00 55.76 ? 4 GLU C CB 1 ATOM 3054 C CG . GLU C 3 4 ? 2.879 -28.881 -51.001 1.00 58.97 ? 4 GLU C CG 1 ATOM 3055 N N . GLN C 3 5 ? 1.790 -30.213 -46.904 1.00 50.77 ? 5 GLN C N 1 ATOM 3056 C CA . GLN C 3 5 ? 1.268 -30.134 -45.547 1.00 49.82 ? 5 GLN C CA 1 ATOM 3057 C C . GLN C 3 5 ? 1.708 -28.862 -44.831 1.00 53.17 ? 5 GLN C C 1 ATOM 3058 O O . GLN C 3 5 ? 2.796 -28.335 -45.073 1.00 55.82 ? 5 GLN C O 1 ATOM 3059 C CB . GLN C 3 5 ? 1.692 -31.358 -44.737 1.00 47.70 ? 5 GLN C CB 1 ATOM 3060 C CG . GLN C 3 5 ? 1.001 -32.655 -45.131 1.00 44.54 ? 5 GLN C CG 1 ATOM 3061 C CD . GLN C 3 5 ? 1.449 -33.832 -44.282 1.00 43.12 ? 5 GLN C CD 1 ATOM 3062 O OE1 . GLN C 3 5 ? 2.159 -34.709 -44.759 1.00 43.09 ? 5 GLN C OE1 1 ATOM 3063 N NE2 . GLN C 3 5 ? 1.045 -33.849 -43.015 1.00 43.03 ? 5 GLN C NE2 1 ATOM 3064 N N . SER C 3 6 ? 0.843 -28.382 -43.944 1.00 53.58 ? 6 SER C N 1 ATOM 3065 C CA . SER C 3 6 ? 1.115 -27.202 -43.136 1.00 57.08 ? 6 SER C CA 1 ATOM 3066 C C . SER C 3 6 ? 0.617 -27.416 -41.706 1.00 56.24 ? 6 SER C C 1 ATOM 3067 O O . SER C 3 6 ? -0.425 -28.037 -41.499 1.00 54.15 ? 6 SER C O 1 ATOM 3068 C CB . SER C 3 6 ? 0.445 -25.972 -43.750 1.00 60.32 ? 6 SER C CB 1 ATOM 3069 O OG . SER C 3 6 ? -0.956 -26.158 -43.844 1.00 59.33 ? 6 SER C OG 1 ATOM 3070 N N . PRO C 3 7 ? 1.362 -26.905 -40.712 1.00 58.41 ? 7 PRO C N 1 ATOM 3071 C CA . PRO C 3 7 ? 2.638 -26.214 -40.872 1.00 61.58 ? 7 PRO C CA 1 ATOM 3072 C C . PRO C 3 7 ? 3.827 -27.177 -40.834 1.00 60.35 ? 7 PRO C C 1 ATOM 3073 O O . PRO C 3 7 ? 3.637 -28.394 -40.710 1.00 56.83 ? 7 PRO C O 1 ATOM 3074 C CB . PRO C 3 7 ? 2.677 -25.257 -39.667 1.00 64.80 ? 7 PRO C CB 1 ATOM 3075 C CG . PRO C 3 7 ? 1.443 -25.569 -38.830 1.00 62.96 ? 7 PRO C CG 1 ATOM 3076 C CD . PRO C 3 7 ? 0.910 -26.876 -39.313 1.00 58.73 ? 7 PRO C CD 1 ATOM 3077 N N . GLN C 3 8 ? 5.034 -26.623 -40.959 1.00 63.78 ? 8 GLN C N 1 ATOM 3078 C CA . GLN C 3 8 ? 6.272 -27.384 -40.837 1.00 64.06 ? 8 GLN C CA 1 ATOM 3079 C C . GLN C 3 8 ? 6.233 -28.136 -39.510 1.00 62.19 ? 8 GLN C C 1 ATOM 3080 O O . GLN C 3 8 ? 6.257 -29.372 -39.477 1.00 59.55 ? 8 GLN C O 1 ATOM 3081 C CB . GLN C 3 8 ? 7.474 -26.433 -40.881 1.00 69.36 ? 8 GLN C CB 1 ATOM 3082 C CG . GLN C 3 8 ? 8.818 -27.087 -41.223 1.00 71.30 ? 8 GLN C CG 1 ATOM 3083 C CD . GLN C 3 8 ? 9.138 -27.067 -42.718 1.00 73.17 ? 8 GLN C CD 1 ATOM 3084 O OE1 . GLN C 3 8 ? 8.293 -27.387 -43.559 1.00 70.63 ? 8 GLN C OE1 1 ATOM 3085 N NE2 . GLN C 3 8 ? 10.372 -26.700 -43.050 1.00 77.59 ? 8 GLN C NE2 1 ATOM 3086 N N . SER C 3 9 ? 6.144 -27.371 -38.423 1.00 64.01 ? 9 SER C N 1 ATOM 3087 C CA . SER C 3 9 ? 6.001 -27.915 -37.082 1.00 62.80 ? 9 SER C CA 1 ATOM 3088 C C . SER C 3 9 ? 4.885 -27.181 -36.346 1.00 63.19 ? 9 SER C C 1 ATOM 3089 O O . SER C 3 9 ? 4.671 -25.983 -36.558 1.00 66.00 ? 9 SER C O 1 ATOM 3090 C CB . SER C 3 9 ? 7.315 -27.790 -36.308 1.00 65.81 ? 9 SER C CB 1 ATOM 3091 N N . LEU C 3 10 ? 4.170 -27.906 -35.492 1.00 60.94 ? 10 LEU C N 1 ATOM 3092 C CA . LEU C 3 10 ? 3.131 -27.311 -34.664 1.00 61.73 ? 10 LEU C CA 1 ATOM 3093 C C . LEU C 3 10 ? 3.373 -27.622 -33.192 1.00 62.64 ? 10 LEU C C 1 ATOM 3094 O O . LEU C 3 10 ? 3.545 -28.780 -32.807 1.00 60.85 ? 10 LEU C O 1 ATOM 3095 C CB . LEU C 3 10 ? 1.743 -27.789 -35.100 1.00 59.17 ? 10 LEU C CB 1 ATOM 3096 C CG . LEU C 3 10 ? 0.527 -27.222 -34.357 1.00 60.77 ? 10 LEU C CG 1 ATOM 3097 C CD1 . LEU C 3 10 ? 0.289 -25.745 -34.684 1.00 64.16 ? 10 LEU C CD1 1 ATOM 3098 C CD2 . LEU C 3 10 ? -0.708 -28.047 -34.676 1.00 58.60 ? 10 LEU C CD2 1 ATOM 3099 N N . VAL C 3 11 ? 3.391 -26.572 -32.377 1.00 65.90 ? 11 VAL C N 1 ATOM 3100 C CA . VAL C 3 11 ? 3.591 -26.708 -30.942 1.00 67.39 ? 11 VAL C CA 1 ATOM 3101 C C . VAL C 3 11 ? 2.304 -26.313 -30.209 1.00 68.54 ? 11 VAL C C 1 ATOM 3102 O O . VAL C 3 11 ? 1.860 -25.164 -30.297 1.00 71.15 ? 11 VAL C O 1 ATOM 3103 C CB . VAL C 3 11 ? 4.778 -25.843 -30.450 1.00 71.24 ? 11 VAL C CB 1 ATOM 3104 C CG1 . VAL C 3 11 ? 5.326 -26.381 -29.135 1.00 72.35 ? 11 VAL C CG1 1 ATOM 3105 C CG2 . VAL C 3 11 ? 5.884 -25.794 -31.497 1.00 71.37 ? 11 VAL C CG2 1 ATOM 3106 N N . VAL C 3 12 ? 1.702 -27.274 -29.508 1.00 67.16 ? 12 VAL C N 1 ATOM 3107 C CA . VAL C 3 12 ? 0.468 -27.029 -28.745 1.00 68.95 ? 12 VAL C CA 1 ATOM 3108 C C . VAL C 3 12 ? 0.598 -27.379 -27.256 1.00 71.02 ? 12 VAL C C 1 ATOM 3109 O O . VAL C 3 12 ? 1.330 -28.304 -26.887 1.00 70.17 ? 12 VAL C O 1 ATOM 3110 C CB . VAL C 3 12 ? -0.764 -27.772 -29.343 1.00 66.64 ? 12 VAL C CB 1 ATOM 3111 C CG1 . VAL C 3 12 ? -1.188 -27.146 -30.671 1.00 65.80 ? 12 VAL C CG1 1 ATOM 3112 C CG2 . VAL C 3 12 ? -0.494 -29.273 -29.494 1.00 63.73 ? 12 VAL C CG2 1 ATOM 3113 N N . ARG C 3 13 ? -0.113 -26.631 -26.411 1.00 74.17 ? 13 ARG C N 1 ATOM 3114 C CA . ARG C 3 13 ? -0.154 -26.904 -24.979 1.00 76.62 ? 13 ARG C CA 1 ATOM 3115 C C . ARG C 3 13 ? -0.984 -28.155 -24.705 1.00 75.35 ? 13 ARG C C 1 ATOM 3116 O O . ARG C 3 13 ? -2.054 -28.327 -25.284 1.00 74.55 ? 13 ARG C O 1 ATOM 3117 C CB . ARG C 3 13 ? -0.727 -25.706 -24.220 1.00 81.28 ? 13 ARG C CB 1 ATOM 3118 N N . GLN C 3 14 ? -0.482 -29.022 -23.827 1.00 75.83 ? 14 GLN C N 1 ATOM 3119 C CA . GLN C 3 14 ? -1.150 -30.279 -23.479 1.00 75.62 ? 14 GLN C CA 1 ATOM 3120 C C . GLN C 3 14 ? -2.594 -30.052 -23.045 1.00 78.40 ? 14 GLN C C 1 ATOM 3121 O O . GLN C 3 14 ? -2.881 -29.138 -22.281 1.00 82.01 ? 14 GLN C O 1 ATOM 3122 C CB . GLN C 3 14 ? -0.380 -31.010 -22.374 1.00 77.55 ? 14 GLN C CB 1 ATOM 3123 C CG . GLN C 3 14 ? -0.818 -32.458 -22.162 1.00 77.70 ? 14 GLN C CG 1 ATOM 3124 C CD . GLN C 3 14 ? -0.462 -33.001 -20.789 0.70 81.39 ? 14 GLN C CD 1 ATOM 3125 O OE1 . GLN C 3 14 ? -0.562 -32.300 -19.781 0.70 84.59 ? 14 GLN C OE1 1 ATOM 3126 N NE2 . GLN C 3 14 ? -0.059 -34.266 -20.744 0.70 81.26 ? 14 GLN C NE2 1 ATOM 3127 N N . GLY C 3 15 ? -3.497 -30.885 -23.546 1.00 77.33 ? 15 GLY C N 1 ATOM 3128 C CA . GLY C 3 15 ? -4.915 -30.764 -23.227 1.00 80.63 ? 15 GLY C CA 1 ATOM 3129 C C . GLY C 3 15 ? -5.660 -29.714 -24.035 1.00 80.68 ? 15 GLY C C 1 ATOM 3130 O O . GLY C 3 15 ? -6.759 -29.307 -23.657 1.00 84.46 ? 15 GLY C O 1 ATOM 3131 N N . GLU C 3 16 ? -5.064 -29.271 -25.141 1.00 77.21 ? 16 GLU C N 1 ATOM 3132 C CA . GLU C 3 16 ? -5.727 -28.354 -26.074 1.00 77.21 ? 16 GLU C CA 1 ATOM 3133 C C . GLU C 3 16 ? -5.957 -29.016 -27.438 1.00 73.16 ? 16 GLU C C 1 ATOM 3134 O O . GLU C 3 16 ? -5.571 -30.167 -27.649 1.00 70.23 ? 16 GLU C O 1 ATOM 3135 C CB . GLU C 3 16 ? -4.933 -27.051 -26.223 1.00 77.90 ? 16 GLU C CB 1 ATOM 3136 C CG . GLU C 3 16 ? -4.955 -26.163 -24.985 1.00 82.80 ? 16 GLU C CG 1 ATOM 3137 C CD . GLU C 3 16 ? -4.226 -24.842 -25.179 0.70 84.39 ? 16 GLU C CD 1 ATOM 3138 O OE1 . GLU C 3 16 ? -3.450 -24.715 -26.151 0.70 81.48 ? 16 GLU C OE1 1 ATOM 3139 O OE2 . GLU C 3 16 ? -4.429 -23.928 -24.349 0.70 89.02 ? 16 GLU C OE2 1 ATOM 3140 N N . ASN C 3 17 ? -6.602 -28.286 -28.348 1.00 73.45 ? 17 ASN C N 1 ATOM 3141 C CA . ASN C 3 17 ? -6.931 -28.800 -29.677 1.00 70.30 ? 17 ASN C CA 1 ATOM 3142 C C . ASN C 3 17 ? -5.878 -28.438 -30.711 1.00 67.13 ? 17 ASN C C 1 ATOM 3143 O O . ASN C 3 17 ? -5.556 -27.264 -30.893 1.00 68.77 ? 17 ASN C O 1 ATOM 3144 C CB . ASN C 3 17 ? -8.298 -28.283 -30.142 1.00 72.85 ? 17 ASN C CB 1 ATOM 3145 C CG . ASN C 3 17 ? -9.451 -28.853 -29.338 1.00 76.35 ? 17 ASN C CG 1 ATOM 3146 O OD1 . ASN C 3 17 ? -9.291 -29.263 -28.188 1.00 78.42 ? 17 ASN C OD1 1 ATOM 3147 N ND2 . ASN C 3 17 ? -10.631 -28.869 -29.943 1.00 78.15 ? 17 ASN C ND2 1 ATOM 3148 N N . SER C 3 18 ? -5.346 -29.452 -31.385 1.00 63.39 ? 18 SER C N 1 ATOM 3149 C CA . SER C 3 18 ? -4.393 -29.232 -32.465 1.00 60.84 ? 18 SER C CA 1 ATOM 3150 C C . SER C 3 18 ? -5.016 -29.562 -33.821 1.00 58.69 ? 18 SER C C 1 ATOM 3151 O O . SER C 3 18 ? -5.799 -30.509 -33.948 1.00 58.08 ? 18 SER C O 1 ATOM 3152 C CB . SER C 3 18 ? -3.103 -30.023 -32.237 1.00 58.85 ? 18 SER C CB 1 ATOM 3153 O OG . SER C 3 18 ? -3.376 -31.309 -31.718 1.00 58.71 ? 18 SER C OG 1 ATOM 3154 N N . VAL C 3 19 ? -4.667 -28.757 -34.822 1.00 58.18 ? 19 VAL C N 1 ATOM 3155 C CA . VAL C 3 19 ? -5.238 -28.861 -36.159 1.00 56.48 ? 19 VAL C CA 1 ATOM 3156 C C . VAL C 3 19 ? -4.108 -29.000 -37.166 1.00 53.97 ? 19 VAL C C 1 ATOM 3157 O O . VAL C 3 19 ? -3.113 -28.275 -37.098 1.00 54.97 ? 19 VAL C O 1 ATOM 3158 C CB . VAL C 3 19 ? -6.063 -27.601 -36.538 1.00 59.66 ? 19 VAL C CB 1 ATOM 3159 C CG1 . VAL C 3 19 ? -7.311 -27.999 -37.289 1.00 59.45 ? 19 VAL C CG1 1 ATOM 3160 C CG2 . VAL C 3 19 ? -6.437 -26.774 -35.308 1.00 63.64 ? 19 VAL C CG2 1 ATOM 3161 N N . LEU C 3 20 ? -4.259 -29.939 -38.095 1.00 51.29 ? 20 LEU C N 1 ATOM 3162 C CA . LEU C 3 20 ? -3.265 -30.162 -39.146 1.00 49.30 ? 20 LEU C CA 1 ATOM 3163 C C . LEU C 3 20 ? -3.931 -30.142 -40.516 1.00 48.57 ? 20 LEU C C 1 ATOM 3164 O O . LEU C 3 20 ? -5.018 -30.699 -40.689 1.00 48.18 ? 20 LEU C O 1 ATOM 3165 C CB . LEU C 3 20 ? -2.530 -31.489 -38.935 1.00 47.11 ? 20 LEU C CB 1 ATOM 3166 C CG . LEU C 3 20 ? -2.001 -31.837 -37.538 1.00 47.90 ? 20 LEU C CG 1 ATOM 3167 C CD1 . LEU C 3 20 ? -1.512 -33.265 -37.501 1.00 46.68 ? 20 LEU C CD1 1 ATOM 3168 C CD2 . LEU C 3 20 ? -0.896 -30.900 -37.111 1.00 50.05 ? 20 LEU C CD2 1 ATOM 3169 N N . GLN C 3 21 ? -3.277 -29.495 -41.479 1.00 49.00 ? 21 GLN C N 1 ATOM 3170 C CA . GLN C 3 21 ? -3.834 -29.322 -42.825 1.00 48.94 ? 21 GLN C CA 1 ATOM 3171 C C . GLN C 3 21 ? -3.068 -30.140 -43.855 1.00 46.64 ? 21 GLN C C 1 ATOM 3172 O O . GLN C 3 21 ? -1.882 -30.429 -43.682 1.00 46.28 ? 21 GLN C O 1 ATOM 3173 C CB . GLN C 3 21 ? -3.810 -27.848 -43.252 1.00 52.37 ? 21 GLN C CB 1 ATOM 3174 C CG . GLN C 3 21 ? -4.128 -26.849 -42.158 1.00 55.83 ? 21 GLN C CG 1 ATOM 3175 C CD . GLN C 3 21 ? -5.597 -26.801 -41.813 1.00 57.36 ? 21 GLN C CD 1 ATOM 3176 O OE1 . GLN C 3 21 ? -6.450 -26.705 -42.694 1.00 58.48 ? 21 GLN C OE1 1 ATOM 3177 N NE2 . GLN C 3 21 ? -5.902 -26.853 -40.519 1.00 58.20 ? 21 GLN C NE2 1 ATOM 3178 N N . CYS C 3 22 ? -3.761 -30.499 -44.930 1.00 45.63 ? 22 CYS C N 1 ATOM 3179 C CA . CYS C 3 22 ? -3.158 -31.185 -46.055 1.00 44.12 ? 22 CYS C CA 1 ATOM 3180 C C . CYS C 3 22 ? -3.782 -30.684 -47.346 1.00 45.00 ? 22 CYS C C 1 ATOM 3181 O O . CYS C 3 22 ? -5.004 -30.587 -47.454 1.00 45.49 ? 22 CYS C O 1 ATOM 3182 C CB . CYS C 3 22 ? -3.347 -32.698 -45.934 1.00 41.80 ? 22 CYS C CB 1 ATOM 3183 S SG . CYS C 3 22 ? -2.713 -33.612 -47.352 1.00 41.24 ? 22 CYS C SG 1 ATOM 3184 N N . ASN C 3 23 ? -2.932 -30.358 -48.313 1.00 45.74 ? 23 ASN C N 1 ATOM 3185 C CA . ASN C 3 23 ? -3.369 -29.908 -49.627 1.00 47.09 ? 23 ASN C CA 1 ATOM 3186 C C . ASN C 3 23 ? -2.658 -30.707 -50.702 1.00 46.00 ? 23 ASN C C 1 ATOM 3187 O O . ASN C 3 23 ? -1.436 -30.852 -50.670 1.00 46.43 ? 23 ASN C O 1 ATOM 3188 C CB . ASN C 3 23 ? -3.080 -28.417 -49.808 1.00 51.10 ? 23 ASN C CB 1 ATOM 3189 C CG . ASN C 3 23 ? -3.918 -27.548 -48.896 1.00 53.09 ? 23 ASN C CG 1 ATOM 3190 O OD1 . ASN C 3 23 ? -5.129 -27.434 -49.074 1.00 53.99 ? 23 ASN C OD1 1 ATOM 3191 N ND2 . ASN C 3 23 ? -3.275 -26.924 -47.915 1.00 54.30 ? 23 ASN C ND2 1 ATOM 3192 N N . TYR C 3 24 ? -3.421 -31.232 -51.652 1.00 45.05 ? 24 TYR C N 1 ATOM 3193 C CA . TYR C 3 24 ? -2.850 -32.085 -52.686 1.00 44.18 ? 24 TYR C CA 1 ATOM 3194 C C . TYR C 3 24 ? -3.271 -31.637 -54.085 1.00 46.28 ? 24 TYR C C 1 ATOM 3195 O O . TYR C 3 24 ? -4.219 -30.859 -54.235 1.00 47.94 ? 24 TYR C O 1 ATOM 3196 C CB . TYR C 3 24 ? -3.228 -33.554 -52.441 1.00 41.17 ? 24 TYR C CB 1 ATOM 3197 C CG . TYR C 3 24 ? -4.718 -33.801 -52.386 1.00 39.73 ? 24 TYR C CG 1 ATOM 3198 C CD1 . TYR C 3 24 ? -5.450 -34.009 -53.553 1.00 39.94 ? 24 TYR C CD1 1 ATOM 3199 C CD2 . TYR C 3 24 ? -5.396 -33.824 -51.170 1.00 38.36 ? 24 TYR C CD2 1 ATOM 3200 C CE1 . TYR C 3 24 ? -6.817 -34.229 -53.514 1.00 39.71 ? 24 TYR C CE1 1 ATOM 3201 C CE2 . TYR C 3 24 ? -6.766 -34.045 -51.119 1.00 38.47 ? 24 TYR C CE2 1 ATOM 3202 C CZ . TYR C 3 24 ? -7.467 -34.247 -52.298 1.00 39.15 ? 24 TYR C CZ 1 ATOM 3203 O OH . TYR C 3 24 ? -8.821 -34.464 -52.273 1.00 40.40 ? 24 TYR C OH 1 ATOM 3204 N N . SER C 3 25 ? -2.557 -32.129 -55.098 1.00 46.64 ? 25 SER C N 1 ATOM 3205 C CA . SER C 3 25 ? -2.889 -31.865 -56.496 1.00 48.67 ? 25 SER C CA 1 ATOM 3206 C C . SER C 3 25 ? -3.027 -33.175 -57.278 1.00 46.93 ? 25 SER C C 1 ATOM 3207 O O . SER C 3 25 ? -3.202 -33.175 -58.496 1.00 48.41 ? 25 SER C O 1 ATOM 3208 C CB . SER C 3 25 ? -1.828 -30.968 -57.133 1.00 52.40 ? 25 SER C CB 1 ATOM 3209 O OG . SER C 3 25 ? -0.574 -31.625 -57.172 1.00 52.53 ? 25 SER C OG 1 ATOM 3210 N N . VAL C 3 26 ? -2.959 -34.285 -56.552 1.00 44.28 ? 26 VAL C N 1 ATOM 3211 C CA . VAL C 3 26 ? -2.992 -35.625 -57.130 1.00 43.18 ? 26 VAL C CA 1 ATOM 3212 C C . VAL C 3 26 ? -4.294 -35.912 -57.904 1.00 43.32 ? 26 VAL C C 1 ATOM 3213 O O . VAL C 3 26 ? -5.393 -35.875 -57.341 1.00 42.61 ? 26 VAL C O 1 ATOM 3214 C CB . VAL C 3 26 ? -2.744 -36.689 -56.028 1.00 40.98 ? 26 VAL C CB 1 ATOM 3215 C CG1 . VAL C 3 26 ? -2.882 -38.098 -56.578 1.00 40.53 ? 26 VAL C CG1 1 ATOM 3216 C CG2 . VAL C 3 26 ? -1.369 -36.492 -55.395 1.00 41.31 ? 26 VAL C CG2 1 ATOM 3217 N N . THR C 3 27 ? -4.151 -36.181 -59.201 1.00 44.85 ? 27 THR C N 1 ATOM 3218 C CA . THR C 3 27 ? -5.270 -36.576 -60.056 1.00 45.28 ? 27 THR C CA 1 ATOM 3219 C C . THR C 3 27 ? -5.004 -37.969 -60.636 1.00 45.04 ? 27 THR C C 1 ATOM 3220 O O . THR C 3 27 ? -3.982 -38.188 -61.287 1.00 46.44 ? 27 THR C O 1 ATOM 3221 C CB . THR C 3 27 ? -5.512 -35.557 -61.205 1.00 48.17 ? 27 THR C CB 1 ATOM 3222 O OG1 . THR C 3 27 ? -5.770 -34.260 -60.656 0.70 49.22 ? 27 THR C OG1 1 ATOM 3223 C CG2 . THR C 3 27 ? -6.699 -35.974 -62.071 0.70 48.71 ? 27 THR C CG2 1 ATOM 3224 N N . PRO C 3 28 ? -5.921 -38.919 -60.395 1.00 44.02 ? 28 PRO C N 1 ATOM 3225 C CA . PRO C 3 28 ? -7.133 -38.724 -59.610 1.00 43.34 ? 28 PRO C CA 1 ATOM 3226 C C . PRO C 3 28 ? -6.861 -38.920 -58.119 1.00 41.87 ? 28 PRO C C 1 ATOM 3227 O O . PRO C 3 28 ? -5.756 -39.323 -57.742 1.00 41.39 ? 28 PRO C O 1 ATOM 3228 C CB . PRO C 3 28 ? -8.071 -39.809 -60.145 1.00 43.90 ? 28 PRO C CB 1 ATOM 3229 C CG . PRO C 3 28 ? -7.170 -40.872 -60.739 1.00 43.94 ? 28 PRO C CG 1 ATOM 3230 C CD . PRO C 3 28 ? -5.779 -40.313 -60.855 1.00 44.22 ? 28 PRO C CD 1 ATOM 3231 N N . ASP C 3 29 ? -7.851 -38.620 -57.283 1.00 41.67 ? 29 ASP C N 1 ATOM 3232 C CA . ASP C 3 29 ? -7.708 -38.757 -55.837 1.00 40.75 ? 29 ASP C CA 1 ATOM 3233 C C . ASP C 3 29 ? -8.743 -39.730 -55.310 1.00 41.03 ? 29 ASP C C 1 ATOM 3234 O O . ASP C 3 29 ? -9.873 -39.336 -55.004 1.00 42.08 ? 29 ASP C O 1 ATOM 3235 C CB . ASP C 3 29 ? -7.813 -37.392 -55.123 1.00 41.12 ? 29 ASP C CB 1 ATOM 3236 C CG . ASP C 3 29 ? -8.773 -36.423 -55.819 1.00 43.57 ? 29 ASP C CG 1 ATOM 3237 O OD1 . ASP C 3 29 ? -8.407 -35.882 -56.889 1.00 45.06 ? 29 ASP C OD1 1 ATOM 3238 O OD2 . ASP C 3 29 ? -9.882 -36.181 -55.288 1.00 44.96 ? 29 ASP C OD2 1 ATOM 3239 N N . ASN C 3 30 ? -8.357 -41.004 -55.228 1.00 40.90 ? 30 ASN C N 1 ATOM 3240 C CA . ASN C 3 30 ? -9.262 -42.061 -54.781 1.00 42.15 ? 30 ASN C CA 1 ATOM 3241 C C . ASN C 3 30 ? -9.593 -41.910 -53.307 1.00 42.35 ? 30 ASN C C 1 ATOM 3242 O O . ASN C 3 30 ? -10.760 -41.759 -52.937 1.00 43.78 ? 30 ASN C O 1 ATOM 3243 C CB . ASN C 3 30 ? -8.665 -43.446 -55.043 1.00 42.85 ? 30 ASN C CB 1 ATOM 3244 C CG . ASN C 3 30 ? -9.495 -44.573 -54.427 1.00 45.27 ? 30 ASN C CG 1 ATOM 3245 O OD1 . ASN C 3 30 ? -9.146 -45.111 -53.373 1.00 45.54 ? 30 ASN C OD1 1 ATOM 3246 N ND2 . ASN C 3 30 ? -10.597 -44.932 -55.086 1.00 47.07 ? 30 ASN C ND2 1 ATOM 3247 N N . HIS C 3 31 ? -8.557 -41.951 -52.474 1.00 41.36 ? 31 HIS C N 1 ATOM 3248 C CA . HIS C 3 31 ? -8.720 -41.804 -51.037 1.00 41.58 ? 31 HIS C CA 1 ATOM 3249 C C . HIS C 3 31 ? -7.613 -40.956 -50.429 1.00 39.81 ? 31 HIS C C 1 ATOM 3250 O O . HIS C 3 31 ? -6.635 -40.623 -51.098 1.00 38.67 ? 31 HIS C O 1 ATOM 3251 C CB . HIS C 3 31 ? -8.777 -43.175 -50.348 1.00 43.39 ? 31 HIS C CB 1 ATOM 3252 C CG . HIS C 3 31 ? -7.538 -44.002 -50.522 1.00 44.13 ? 31 HIS C CG 1 ATOM 3253 N ND1 . HIS C 3 31 ? -7.564 -45.278 -51.046 1.00 47.33 ? 31 HIS C ND1 1 ATOM 3254 C CD2 . HIS C 3 31 ? -6.240 -43.741 -50.233 1.00 43.53 ? 31 HIS C CD2 1 ATOM 3255 C CE1 . HIS C 3 31 ? -6.336 -45.768 -51.072 1.00 47.44 ? 31 HIS C CE1 1 ATOM 3256 N NE2 . HIS C 3 31 ? -5.514 -44.853 -50.587 1.00 46.09 ? 31 HIS C NE2 1 ATOM 3257 N N . LEU C 3 32 ? -7.792 -40.614 -49.155 1.00 40.06 ? 32 LEU C N 1 ATOM 3258 C CA . LEU C 3 32 ? -6.780 -39.941 -48.351 1.00 39.02 ? 32 LEU C CA 1 ATOM 3259 C C . LEU C 3 32 ? -6.641 -40.654 -47.008 1.00 39.91 ? 32 LEU C C 1 ATOM 3260 O O . LEU C 3 32 ? -7.624 -41.169 -46.464 1.00 41.58 ? 32 LEU C O 1 ATOM 3261 C CB . LEU C 3 32 ? -7.137 -38.465 -48.149 1.00 38.99 ? 32 LEU C CB 1 ATOM 3262 C CG . LEU C 3 32 ? -6.035 -37.593 -47.542 1.00 38.48 ? 32 LEU C CG 1 ATOM 3263 C CD1 . LEU C 3 32 ? -5.912 -36.284 -48.288 1.00 38.98 ? 32 LEU C CD1 1 ATOM 3264 C CD2 . LEU C 3 32 ? -6.267 -37.365 -46.052 1.00 39.17 ? 32 LEU C CD2 1 ATOM 3265 N N . ARG C 3 33 ? -5.418 -40.674 -46.485 1.00 39.33 ? 33 ARG C N 1 ATOM 3266 C CA . ARG C 3 33 ? -5.105 -41.359 -45.240 1.00 40.55 ? 33 ARG C CA 1 ATOM 3267 C C . ARG C 3 33 ? -4.111 -40.558 -44.399 1.00 40.17 ? 33 ARG C C 1 ATOM 3268 O O . ARG C 3 33 ? -3.115 -40.043 -44.922 1.00 39.40 ? 33 ARG C O 1 ATOM 3269 C CB . ARG C 3 33 ? -4.528 -42.736 -45.553 1.00 41.57 ? 33 ARG C CB 1 ATOM 3270 C CG . ARG C 3 33 ? -4.474 -43.679 -44.377 1.00 44.20 ? 33 ARG C CG 1 ATOM 3271 C CD . ARG C 3 33 ? -3.979 -45.037 -44.811 1.00 46.93 ? 33 ARG C CD 1 ATOM 3272 N NE . ARG C 3 33 ? -4.944 -45.753 -45.643 1.00 48.68 ? 33 ARG C NE 1 ATOM 3273 C CZ . ARG C 3 33 ? -5.852 -46.605 -45.172 1.00 52.05 ? 33 ARG C CZ 1 ATOM 3274 N NH1 . ARG C 3 33 ? -5.930 -46.849 -43.869 1.00 54.30 ? 33 ARG C NH1 1 ATOM 3275 N NH2 . ARG C 3 33 ? -6.685 -47.214 -46.004 1.00 53.31 ? 33 ARG C NH2 1 ATOM 3276 N N . TRP C 3 34 ? -4.387 -40.452 -43.099 1.00 41.23 ? 34 TRP C N 1 ATOM 3277 C CA . TRP C 3 34 ? -3.445 -39.856 -42.151 1.00 41.28 ? 34 TRP C CA 1 ATOM 3278 C C . TRP C 3 34 ? -2.715 -40.942 -41.373 1.00 42.92 ? 34 TRP C C 1 ATOM 3279 O O . TRP C 3 34 ? -3.344 -41.827 -40.786 1.00 44.81 ? 34 TRP C O 1 ATOM 3280 C CB . TRP C 3 34 ? -4.164 -38.930 -41.175 1.00 42.08 ? 34 TRP C CB 1 ATOM 3281 C CG . TRP C 3 34 ? -4.638 -37.638 -41.773 1.00 41.21 ? 34 TRP C CG 1 ATOM 3282 C CD1 . TRP C 3 34 ? -5.867 -37.389 -42.304 1.00 41.55 ? 34 TRP C CD1 1 ATOM 3283 C CD2 . TRP C 3 34 ? -3.899 -36.416 -41.882 1.00 40.52 ? 34 TRP C CD2 1 ATOM 3284 N NE1 . TRP C 3 34 ? -5.943 -36.091 -42.742 1.00 41.45 ? 34 TRP C NE1 1 ATOM 3285 C CE2 . TRP C 3 34 ? -4.748 -35.469 -42.496 1.00 41.09 ? 34 TRP C CE2 1 ATOM 3286 C CE3 . TRP C 3 34 ? -2.603 -36.029 -41.525 1.00 40.59 ? 34 TRP C CE3 1 ATOM 3287 C CZ2 . TRP C 3 34 ? -4.342 -34.154 -42.764 1.00 41.64 ? 34 TRP C CZ2 1 ATOM 3288 C CZ3 . TRP C 3 34 ? -2.199 -34.720 -41.791 1.00 41.32 ? 34 TRP C CZ3 1 ATOM 3289 C CH2 . TRP C 3 34 ? -3.068 -33.801 -42.408 1.00 41.61 ? 34 TRP C CH2 1 ATOM 3290 N N . PHE C 3 35 ? -1.386 -40.871 -41.391 1.00 42.89 ? 35 PHE C N 1 ATOM 3291 C CA . PHE C 3 35 ? -0.526 -41.791 -40.648 1.00 44.87 ? 35 PHE C CA 1 ATOM 3292 C C . PHE C 3 35 ? 0.109 -41.080 -39.453 1.00 45.76 ? 35 PHE C C 1 ATOM 3293 O O . PHE C 3 35 ? 0.302 -39.855 -39.477 1.00 44.64 ? 35 PHE C O 1 ATOM 3294 C CB . PHE C 3 35 ? 0.591 -42.318 -41.547 1.00 45.12 ? 35 PHE C CB 1 ATOM 3295 C CG . PHE C 3 35 ? 0.173 -43.430 -42.470 1.00 45.54 ? 35 PHE C CG 1 ATOM 3296 C CD1 . PHE C 3 35 ? 0.200 -44.757 -42.041 1.00 48.22 ? 35 PHE C CD1 1 ATOM 3297 C CD2 . PHE C 3 35 ? -0.209 -43.158 -43.780 1.00 43.45 ? 35 PHE C CD2 1 ATOM 3298 C CE1 . PHE C 3 35 ? -0.172 -45.794 -42.894 1.00 48.69 ? 35 PHE C CE1 1 ATOM 3299 C CE2 . PHE C 3 35 ? -0.577 -44.188 -44.640 1.00 44.00 ? 35 PHE C CE2 1 ATOM 3300 C CZ . PHE C 3 35 ? -0.562 -45.509 -44.193 1.00 46.60 ? 35 PHE C CZ 1 ATOM 3301 N N . LYS C 3 36 ? 0.437 -41.852 -38.417 1.00 48.24 ? 36 LYS C N 1 ATOM 3302 C CA . LYS C 3 36 ? 1.176 -41.335 -37.262 1.00 49.63 ? 36 LYS C CA 1 ATOM 3303 C C . LYS C 3 36 ? 2.514 -42.039 -37.151 1.00 51.66 ? 36 LYS C C 1 ATOM 3304 O O . LYS C 3 36 ? 2.564 -43.266 -37.057 1.00 54.07 ? 36 LYS C O 1 ATOM 3305 C CB . LYS C 3 36 ? 0.385 -41.516 -35.959 1.00 51.66 ? 36 LYS C CB 1 ATOM 3306 C CG . LYS C 3 36 ? 1.113 -41.031 -34.696 1.00 53.47 ? 36 LYS C CG 1 ATOM 3307 C CD . LYS C 3 36 ? 0.162 -40.942 -33.506 1.00 55.85 ? 36 LYS C CD 1 ATOM 3308 C CE . LYS C 3 36 ? 0.818 -40.316 -32.275 1.00 57.24 ? 36 LYS C CE 1 ATOM 3309 N NZ . LYS C 3 36 ? 1.668 -41.273 -31.518 1.00 60.25 ? 36 LYS C NZ 1 ATOM 3310 N N . GLN C 3 37 ? 3.591 -41.259 -37.155 1.00 51.52 ? 37 GLN C N 1 ATOM 3311 C CA . GLN C 3 37 ? 4.932 -41.812 -37.034 1.00 54.05 ? 37 GLN C CA 1 ATOM 3312 C C . GLN C 3 37 ? 5.619 -41.311 -35.770 1.00 56.16 ? 37 GLN C C 1 ATOM 3313 O O . GLN C 3 37 ? 6.000 -40.143 -35.679 1.00 55.44 ? 37 GLN C O 1 ATOM 3314 C CB . GLN C 3 37 ? 5.780 -41.485 -38.268 1.00 53.32 ? 37 GLN C CB 1 ATOM 3315 C CG . GLN C 3 37 ? 6.885 -42.499 -38.526 1.00 56.05 ? 37 GLN C CG 1 ATOM 3316 C CD . GLN C 3 37 ? 8.075 -41.931 -39.284 1.00 56.40 ? 37 GLN C CD 1 ATOM 3317 O OE1 . GLN C 3 37 ? 8.016 -40.843 -39.853 1.00 54.33 ? 37 GLN C OE1 1 ATOM 3318 N NE2 . GLN C 3 37 ? 9.170 -42.678 -39.289 1.00 59.94 ? 37 GLN C NE2 1 ATOM 3319 N N . ASP C 3 38 ? 5.758 -42.206 -34.797 1.00 59.39 ? 38 ASP C N 1 ATOM 3320 C CA . ASP C 3 38 ? 6.543 -41.940 -33.599 1.00 62.39 ? 38 ASP C CA 1 ATOM 3321 C C . ASP C 3 38 ? 8.018 -41.776 -33.957 1.00 64.45 ? 38 ASP C C 1 ATOM 3322 O O . ASP C 3 38 ? 8.506 -42.385 -34.918 1.00 65.10 ? 38 ASP C O 1 ATOM 3323 C CB . ASP C 3 38 ? 6.377 -43.075 -32.587 1.00 65.99 ? 38 ASP C CB 1 ATOM 3324 C CG . ASP C 3 38 ? 5.039 -43.038 -31.878 0.70 65.59 ? 38 ASP C CG 1 ATOM 3325 O OD1 . ASP C 3 38 ? 4.733 -42.014 -31.229 0.70 64.87 ? 38 ASP C OD1 1 ATOM 3326 O OD2 . ASP C 3 38 ? 4.298 -44.041 -31.959 0.70 66.89 ? 38 ASP C OD2 1 ATOM 3327 N N . THR C 3 39 ? 8.724 -40.957 -33.180 1.00 66.05 ? 39 THR C N 1 ATOM 3328 C CA . THR C 3 39 ? 10.136 -40.686 -33.440 1.00 68.69 ? 39 THR C CA 1 ATOM 3329 C C . THR C 3 39 ? 10.963 -41.953 -33.233 1.00 72.91 ? 39 THR C C 1 ATOM 3330 O O . THR C 3 39 ? 11.213 -42.370 -32.101 1.00 75.98 ? 39 THR C O 1 ATOM 3331 C CB . THR C 3 39 ? 10.678 -39.526 -32.570 1.00 69.92 ? 39 THR C CB 1 ATOM 3332 O OG1 . THR C 3 39 ? 10.568 -39.871 -31.185 1.00 72.37 ? 39 THR C OG1 1 ATOM 3333 C CG2 . THR C 3 39 ? 9.896 -38.233 -32.836 1.00 66.74 ? 39 THR C CG2 1 ATOM 3334 N N . GLY C 3 40 ? 11.352 -42.573 -34.343 1.00 73.55 ? 40 GLY C N 1 ATOM 3335 C CA . GLY C 3 40 ? 12.154 -43.794 -34.320 1.00 78.27 ? 40 GLY C CA 1 ATOM 3336 C C . GLY C 3 40 ? 11.364 -45.069 -34.566 1.00 78.58 ? 40 GLY C C 1 ATOM 3337 O O . GLY C 3 40 ? 11.724 -46.130 -34.050 1.00 83.19 ? 40 GLY C O 1 ATOM 3338 N N . LYS C 3 41 ? 10.295 -44.968 -35.357 1.00 74.27 ? 41 LYS C N 1 ATOM 3339 C CA . LYS C 3 41 ? 9.440 -46.116 -35.674 1.00 74.46 ? 41 LYS C CA 1 ATOM 3340 C C . LYS C 3 41 ? 8.752 -45.962 -37.040 1.00 70.56 ? 41 LYS C C 1 ATOM 3341 O O . LYS C 3 41 ? 9.072 -45.048 -37.806 1.00 68.17 ? 41 LYS C O 1 ATOM 3342 C CB . LYS C 3 41 ? 8.404 -46.334 -34.563 1.00 74.43 ? 41 LYS C CB 1 ATOM 3343 N N . GLY C 3 42 ? 7.810 -46.857 -37.337 1.00 70.37 ? 42 GLY C N 1 ATOM 3344 C CA . GLY C 3 42 ? 7.114 -46.865 -38.624 1.00 67.12 ? 42 GLY C CA 1 ATOM 3345 C C . GLY C 3 42 ? 5.828 -46.064 -38.641 1.00 62.48 ? 42 GLY C C 1 ATOM 3346 O O . GLY C 3 42 ? 5.416 -45.509 -37.620 1.00 61.75 ? 42 GLY C O 1 ATOM 3347 N N . LEU C 3 43 ? 5.199 -46.002 -39.813 1.00 59.82 ? 43 LEU C N 1 ATOM 3348 C CA . LEU C 3 43 ? 3.931 -45.291 -39.992 1.00 55.97 ? 43 LEU C CA 1 ATOM 3349 C C . LEU C 3 43 ? 2.751 -46.166 -39.573 1.00 57.20 ? 43 LEU C C 1 ATOM 3350 O O . LEU C 3 43 ? 2.682 -47.344 -39.936 1.00 59.91 ? 43 LEU C O 1 ATOM 3351 C CB . LEU C 3 43 ? 3.753 -44.845 -41.449 1.00 53.19 ? 43 LEU C CB 1 ATOM 3352 C CG . LEU C 3 43 ? 4.527 -43.643 -41.997 1.00 51.24 ? 43 LEU C CG 1 ATOM 3353 C CD1 . LEU C 3 43 ? 5.983 -43.976 -42.257 1.00 54.11 ? 43 LEU C CD1 1 ATOM 3354 C CD2 . LEU C 3 43 ? 3.880 -43.156 -43.275 1.00 48.11 ? 43 LEU C CD2 1 ATOM 3355 N N . VAL C 3 44 ? 1.831 -45.586 -38.806 1.00 55.94 ? 44 VAL C N 1 ATOM 3356 C CA . VAL C 3 44 ? 0.634 -46.292 -38.350 1.00 57.56 ? 44 VAL C CA 1 ATOM 3357 C C . VAL C 3 44 ? -0.607 -45.527 -38.788 1.00 54.63 ? 44 VAL C C 1 ATOM 3358 O O . VAL C 3 44 ? -0.723 -44.327 -38.526 1.00 52.34 ? 44 VAL C O 1 ATOM 3359 C CB . VAL C 3 44 ? 0.624 -46.488 -36.816 1.00 60.54 ? 44 VAL C CB 1 ATOM 3360 C CG1 . VAL C 3 44 ? -0.663 -47.163 -36.370 1.00 63.02 ? 44 VAL C CG1 1 ATOM 3361 C CG2 . VAL C 3 44 ? 1.825 -47.312 -36.373 1.00 64.28 ? 44 VAL C CG2 1 ATOM 3362 N N . SER C 3 45 ? -1.522 -46.232 -39.454 1.00 55.31 ? 45 SER C N 1 ATOM 3363 C CA . SER C 3 45 ? -2.745 -45.637 -40.001 1.00 53.19 ? 45 SER C CA 1 ATOM 3364 C C . SER C 3 45 ? -3.724 -45.200 -38.919 1.00 54.30 ? 45 SER C C 1 ATOM 3365 O O . SER C 3 45 ? -4.152 -46.017 -38.098 1.00 57.97 ? 45 SER C O 1 ATOM 3366 C CB . SER C 3 45 ? -3.439 -46.616 -40.950 1.00 54.40 ? 45 SER C CB 1 ATOM 3367 O OG . SER C 3 45 ? -4.574 -46.017 -41.554 1.00 52.50 ? 45 SER C OG 1 ATOM 3368 N N . LEU C 3 46 ? -4.071 -43.913 -38.938 1.00 51.71 ? 46 LEU C N 1 ATOM 3369 C CA . LEU C 3 46 ? -5.053 -43.345 -38.013 1.00 53.04 ? 46 LEU C CA 1 ATOM 3370 C C . LEU C 3 46 ? -6.478 -43.389 -38.569 1.00 53.84 ? 46 LEU C C 1 ATOM 3371 O O . LEU C 3 46 ? -7.412 -43.755 -37.853 1.00 57.13 ? 46 LEU C O 1 ATOM 3372 C CB . LEU C 3 46 ? -4.698 -41.898 -37.644 1.00 50.87 ? 46 LEU C CB 1 ATOM 3373 C CG . LEU C 3 46 ? -3.397 -41.590 -36.899 1.00 50.71 ? 46 LEU C CG 1 ATOM 3374 C CD1 . LEU C 3 46 ? -3.284 -40.097 -36.641 1.00 48.51 ? 46 LEU C CD1 1 ATOM 3375 C CD2 . LEU C 3 46 ? -3.291 -42.374 -35.591 1.00 54.56 ? 46 LEU C CD2 1 ATOM 3376 N N . THR C 3 47 ? -6.639 -43.013 -39.839 1.00 51.52 ? 47 THR C N 1 ATOM 3377 C CA . THR C 3 47 ? -7.964 -42.884 -40.456 1.00 52.30 ? 47 THR C CA 1 ATOM 3378 C C . THR C 3 47 ? -7.930 -42.765 -41.984 1.00 49.94 ? 47 THR C C 1 ATOM 3379 O O . THR C 3 47 ? -6.934 -42.329 -42.552 1.00 47.49 ? 47 THR C O 1 ATOM 3380 C CB . THR C 3 47 ? -8.743 -41.684 -39.860 1.00 52.76 ? 47 THR C CB 1 ATOM 3381 O OG1 . THR C 3 47 ? -10.124 -41.783 -40.225 1.00 55.01 ? 47 THR C OG1 1 ATOM 3382 C CG2 . THR C 3 47 ? -8.165 -40.349 -40.332 1.00 49.35 ? 47 THR C CG2 1 ATOM 3383 N N . VAL C 3 48 ? -9.027 -43.151 -42.637 1.00 51.55 ? 48 VAL C N 1 ATOM 3384 C CA . VAL C 3 48 ? -9.159 -43.033 -44.095 1.00 49.98 ? 48 VAL C CA 1 ATOM 3385 C C . VAL C 3 48 ? -10.333 -42.136 -44.482 1.00 50.51 ? 48 VAL C C 1 ATOM 3386 O O . VAL C 3 48 ? -11.333 -42.063 -43.765 1.00 53.40 ? 48 VAL C O 1 ATOM 3387 C CB . VAL C 3 48 ? -9.386 -44.397 -44.791 1.00 51.66 ? 48 VAL C CB 1 ATOM 3388 C CG1 . VAL C 3 48 ? -8.620 -44.443 -46.107 1.00 49.04 ? 48 VAL C CG1 1 ATOM 3389 C CG2 . VAL C 3 48 ? -8.986 -45.559 -43.891 1.00 54.70 ? 48 VAL C CG2 1 ATOM 3390 N N . LEU C 3 49 ? -10.213 -41.464 -45.622 1.00 48.49 ? 49 LEU C N 1 ATOM 3391 C CA . LEU C 3 49 ? -11.308 -40.661 -46.154 1.00 49.50 ? 49 LEU C CA 1 ATOM 3392 C C . LEU C 3 49 ? -11.524 -41.028 -47.622 1.00 49.09 ? 49 LEU C C 1 ATOM 3393 O O . LEU C 3 49 ? -10.621 -40.861 -48.445 1.00 46.90 ? 49 LEU C O 1 ATOM 3394 C CB . LEU C 3 49 ? -11.005 -39.169 -45.985 1.00 48.39 ? 49 LEU C CB 1 ATOM 3395 C CG . LEU C 3 49 ? -10.922 -38.613 -44.556 1.00 49.24 ? 49 LEU C CG 1 ATOM 3396 C CD1 . LEU C 3 49 ? -9.720 -37.704 -44.393 1.00 47.08 ? 49 LEU C CD1 1 ATOM 3397 C CD2 . LEU C 3 49 ? -12.197 -37.891 -44.169 1.00 52.23 ? 49 LEU C CD2 1 ATOM 3398 N N . VAL C 3 50 ? -12.716 -41.540 -47.938 1.00 51.69 ? 50 VAL C N 1 ATOM 3399 C CA . VAL C 3 50 ? -12.995 -42.142 -49.248 1.00 51.81 ? 50 VAL C CA 1 ATOM 3400 C C . VAL C 3 50 ? -13.910 -41.273 -50.118 1.00 52.62 ? 50 VAL C C 1 ATOM 3401 O O . VAL C 3 50 ? -13.642 -41.080 -51.306 1.00 51.37 ? 50 VAL C O 1 ATOM 3402 C CB . VAL C 3 50 ? -13.592 -43.589 -49.109 1.00 54.99 ? 50 VAL C CB 1 ATOM 3403 C CG1 . VAL C 3 50 ? -13.756 -44.260 -50.472 1.00 55.26 ? 50 VAL C CG1 1 ATOM 3404 C CG2 . VAL C 3 50 ? -12.718 -44.458 -48.214 1.00 55.00 ? 50 VAL C CG2 1 ATOM 3405 N N . ASP C 3 51 ? -14.981 -40.754 -49.523 1.00 55.38 ? 51 ASP C N 1 ATOM 3406 C CA . ASP C 3 51 ? -16.016 -40.012 -50.254 1.00 57.35 ? 51 ASP C CA 1 ATOM 3407 C C . ASP C 3 51 ? -15.571 -38.627 -50.740 1.00 55.68 ? 51 ASP C C 1 ATOM 3408 O O . ASP C 3 51 ? -14.600 -38.059 -50.230 1.00 53.34 ? 51 ASP C O 1 ATOM 3409 C CB . ASP C 3 51 ? -17.283 -39.885 -49.396 1.00 61.71 ? 51 ASP C CB 1 ATOM 3410 C CG . ASP C 3 51 ? -17.977 -41.223 -49.160 0.70 64.87 ? 51 ASP C CG 1 ATOM 3411 O OD1 . ASP C 3 51 ? -17.302 -42.275 -49.133 0.70 63.62 ? 51 ASP C OD1 1 ATOM 3412 O OD2 . ASP C 3 51 ? -19.212 -41.218 -48.991 0.70 69.24 ? 51 ASP C OD2 1 ATOM 3413 N N . GLN C 3 52 ? -16.305 -38.102 -51.726 1.00 57.42 ? 52 GLN C N 1 ATOM 3414 C CA . GLN C 3 52 ? -16.080 -36.770 -52.304 1.00 57.26 ? 52 GLN C CA 1 ATOM 3415 C C . GLN C 3 52 ? -16.028 -35.686 -51.234 1.00 58.14 ? 52 GLN C C 1 ATOM 3416 O O . GLN C 3 52 ? -15.202 -34.775 -51.298 1.00 56.90 ? 52 GLN C O 1 ATOM 3417 C CB . GLN C 3 52 ? -17.172 -36.443 -53.330 1.00 60.43 ? 52 GLN C CB 1 ATOM 3418 C CG . GLN C 3 52 ? -16.853 -35.267 -54.260 1.00 61.00 ? 52 GLN C CG 1 ATOM 3419 C CD . GLN C 3 52 ? -15.846 -35.617 -55.362 1.00 58.83 ? 52 GLN C CD 1 ATOM 3420 O OE1 . GLN C 3 52 ? -15.579 -36.793 -55.647 1.00 56.74 ? 52 GLN C OE1 1 ATOM 3421 N NE2 . GLN C 3 52 ? -15.287 -34.585 -55.990 1.00 58.98 ? 52 GLN C NE2 1 ATOM 3422 N N . LYS C 3 53 ? -16.928 -35.788 -50.263 1.00 60.99 ? 53 LYS C N 1 ATOM 3423 C CA . LYS C 3 53 ? -16.873 -34.974 -49.062 1.00 62.21 ? 53 LYS C CA 1 ATOM 3424 C C . LYS C 3 53 ? -17.073 -35.888 -47.866 1.00 62.94 ? 53 LYS C C 1 ATOM 3425 O O . LYS C 3 53 ? -18.205 -36.200 -47.493 1.00 66.91 ? 53 LYS C O 1 ATOM 3426 C CB . LYS C 3 53 ? -17.919 -33.861 -49.097 1.00 66.69 ? 53 LYS C CB 1 ATOM 3427 C CG . LYS C 3 53 ? -17.482 -32.635 -49.874 1.00 66.70 ? 53 LYS C CG 1 ATOM 3428 C CD . LYS C 3 53 ? -18.552 -31.558 -49.833 1.00 72.69 ? 53 LYS C CD 1 ATOM 3429 C CE . LYS C 3 53 ? -18.031 -30.221 -50.343 1.00 73.98 ? 53 LYS C CE 1 ATOM 3430 N NZ . LYS C 3 53 ? -17.671 -30.252 -51.789 1.00 72.64 ? 53 LYS C NZ 1 ATOM 3431 N N . ASP C 3 54 ? -15.959 -36.333 -47.286 1.00 59.73 ? 54 ASP C N 1 ATOM 3432 C CA . ASP C 3 54 ? -15.984 -37.298 -46.191 1.00 60.43 ? 54 ASP C CA 1 ATOM 3433 C C . ASP C 3 54 ? -15.579 -36.660 -44.863 1.00 60.80 ? 54 ASP C C 1 ATOM 3434 O O . ASP C 3 54 ? -14.947 -35.605 -44.830 1.00 59.32 ? 54 ASP C O 1 ATOM 3435 C CB . ASP C 3 54 ? -15.097 -38.512 -46.511 1.00 57.43 ? 54 ASP C CB 1 ATOM 3436 C CG . ASP C 3 54 ? -15.626 -39.819 -45.904 1.00 60.07 ? 54 ASP C CG 1 ATOM 3437 O OD1 . ASP C 3 54 ? -16.458 -39.774 -44.973 1.00 63.68 ? 54 ASP C OD1 1 ATOM 3438 O OD2 . ASP C 3 54 ? -15.204 -40.905 -46.361 1.00 59.17 ? 54 ASP C OD2 1 ATOM 3439 N N . LYS C 3 55 ? -15.977 -37.313 -43.776 1.00 63.43 ? 55 LYS C N 1 ATOM 3440 C CA . LYS C 3 55 ? -15.711 -36.856 -42.420 1.00 64.67 ? 55 LYS C CA 1 ATOM 3441 C C . LYS C 3 55 ? -15.658 -38.075 -41.506 1.00 66.06 ? 55 LYS C C 1 ATOM 3442 O O . LYS C 3 55 ? -16.687 -38.679 -41.193 1.00 70.26 ? 55 LYS C O 1 ATOM 3443 C CB . LYS C 3 55 ? -16.794 -35.878 -41.950 1.00 69.24 ? 55 LYS C CB 1 ATOM 3444 N N . THR C 3 56 ? -14.448 -38.429 -41.091 1.00 63.18 ? 56 THR C N 1 ATOM 3445 C CA . THR C 3 56 ? -14.213 -39.602 -40.257 1.00 64.70 ? 56 THR C CA 1 ATOM 3446 C C . THR C 3 56 ? -13.825 -39.196 -38.833 1.00 65.99 ? 56 THR C C 1 ATOM 3447 O O . THR C 3 56 ? -13.436 -38.050 -38.595 1.00 64.75 ? 56 THR C O 1 ATOM 3448 C CB . THR C 3 56 ? -13.124 -40.499 -40.877 1.00 61.34 ? 56 THR C CB 1 ATOM 3449 O OG1 . THR C 3 56 ? -12.869 -41.619 -40.022 1.00 63.84 ? 56 THR C OG1 1 ATOM 3450 C CG2 . THR C 3 56 ? -11.839 -39.718 -41.079 1.00 57.07 ? 56 THR C CG2 1 ATOM 3451 N N . SER C 3 57 ? -13.932 -40.136 -37.894 1.00 69.05 ? 57 SER C N 1 ATOM 3452 C CA . SER C 3 57 ? -13.669 -39.853 -36.482 1.00 71.12 ? 57 SER C CA 1 ATOM 3453 C C . SER C 3 57 ? -13.308 -41.109 -35.691 1.00 73.33 ? 57 SER C C 1 ATOM 3454 O O . SER C 3 57 ? -14.127 -42.017 -35.549 1.00 77.53 ? 57 SER C O 1 ATOM 3455 C CB . SER C 3 57 ? -14.884 -39.170 -35.848 1.00 75.83 ? 57 SER C CB 1 ATOM 3456 O OG . SER C 3 57 ? -14.553 -38.615 -34.590 1.00 77.70 ? 57 SER C OG 1 ATOM 3457 N N . ASN C 3 58 ? -12.082 -41.145 -35.172 1.00 71.13 ? 58 ASN C N 1 ATOM 3458 C CA . ASN C 3 58 ? -11.599 -42.277 -34.382 1.00 73.49 ? 58 ASN C CA 1 ATOM 3459 C C . ASN C 3 58 ? -10.867 -41.817 -33.123 1.00 73.97 ? 58 ASN C C 1 ATOM 3460 O O . ASN C 3 58 ? -9.746 -41.313 -33.197 1.00 70.36 ? 58 ASN C O 1 ATOM 3461 C CB . ASN C 3 58 ? -10.695 -43.180 -35.235 1.00 70.81 ? 58 ASN C CB 1 ATOM 3462 C CG . ASN C 3 58 ? -10.382 -44.517 -34.563 0.70 74.71 ? 58 ASN C CG 1 ATOM 3463 O OD1 . ASN C 3 58 ? -10.931 -44.852 -33.509 0.70 79.56 ? 58 ASN C OD1 1 ATOM 3464 N ND2 . ASN C 3 58 ? -9.494 -45.290 -35.182 0.70 73.00 ? 58 ASN C ND2 1 ATOM 3465 N N . GLY C 3 59 ? -11.508 -42.001 -31.971 1.00 79.06 ? 59 GLY C N 1 ATOM 3466 C CA . GLY C 3 59 ? -10.954 -41.571 -30.687 1.00 80.38 ? 59 GLY C CA 1 ATOM 3467 C C . GLY C 3 59 ? -10.907 -40.060 -30.574 1.00 78.26 ? 59 GLY C C 1 ATOM 3468 O O . GLY C 3 59 ? -11.911 -39.385 -30.795 1.00 79.57 ? 59 GLY C O 1 ATOM 3469 N N . ARG C 3 60 ? -9.736 -39.531 -30.231 1.00 75.63 ? 60 ARG C N 1 ATOM 3470 C CA . ARG C 3 60 ? -9.522 -38.081 -30.171 1.00 73.84 ? 60 ARG C CA 1 ATOM 3471 C C . ARG C 3 60 ? -9.252 -37.516 -31.566 1.00 69.09 ? 60 ARG C C 1 ATOM 3472 O O . ARG C 3 60 ? -9.396 -36.310 -31.800 1.00 68.44 ? 60 ARG C O 1 ATOM 3473 C CB . ARG C 3 60 ? -8.364 -37.732 -29.232 1.00 73.54 ? 60 ARG C CB 1 ATOM 3474 C CG . ARG C 3 60 ? -8.519 -38.239 -27.801 1.00 78.60 ? 60 ARG C CG 1 ATOM 3475 C CD . ARG C 3 60 ? -7.405 -37.717 -26.889 1.00 78.70 ? 60 ARG C CD 1 ATOM 3476 N NE . ARG C 3 60 ? -6.085 -37.780 -27.521 1.00 74.49 ? 60 ARG C NE 1 ATOM 3477 C CZ . ARG C 3 60 ? -5.313 -38.864 -27.564 1.00 74.36 ? 60 ARG C CZ 1 ATOM 3478 N NH1 . ARG C 3 60 ? -5.707 -40.006 -27.011 1.00 78.53 ? 60 ARG C NH1 1 ATOM 3479 N NH2 . ARG C 3 60 ? -4.140 -38.806 -28.167 1.00 70.71 ? 60 ARG C NH2 1 ATOM 3480 N N . TYR C 3 61 ? -8.854 -38.397 -32.482 1.00 66.34 ? 62 TYR C N 1 ATOM 3481 C CA . TYR C 3 61 ? -8.638 -38.030 -33.875 1.00 62.13 ? 62 TYR C CA 1 ATOM 3482 C C . TYR C 3 61 ? -9.961 -37.941 -34.624 1.00 63.11 ? 62 TYR C C 1 ATOM 3483 O O . TYR C 3 61 ? -10.848 -38.776 -34.446 1.00 66.16 ? 62 TYR C O 1 ATOM 3484 C CB . TYR C 3 61 ? -7.734 -39.049 -34.572 1.00 59.57 ? 62 TYR C CB 1 ATOM 3485 C CG . TYR C 3 61 ? -6.482 -39.429 -33.810 1.00 59.41 ? 62 TYR C CG 1 ATOM 3486 C CD1 . TYR C 3 61 ? -6.304 -40.728 -33.337 1.00 61.42 ? 62 TYR C CD1 1 ATOM 3487 C CD2 . TYR C 3 61 ? -5.469 -38.495 -33.575 1.00 57.75 ? 62 TYR C CD2 1 ATOM 3488 C CE1 . TYR C 3 61 ? -5.153 -41.093 -32.646 1.00 61.89 ? 62 TYR C CE1 1 ATOM 3489 C CE2 . TYR C 3 61 ? -4.314 -38.848 -32.881 1.00 58.17 ? 62 TYR C CE2 1 ATOM 3490 C CZ . TYR C 3 61 ? -4.163 -40.150 -32.420 1.00 60.20 ? 62 TYR C CZ 1 ATOM 3491 O OH . TYR C 3 61 ? -3.025 -40.508 -31.732 1.00 61.05 ? 62 TYR C OH 1 ATOM 3492 N N . SER C 3 62 ? -10.084 -36.911 -35.452 1.00 61.14 ? 63 SER C N 1 ATOM 3493 C CA . SER C 3 62 ? -11.195 -36.787 -36.387 1.00 61.82 ? 63 SER C CA 1 ATOM 3494 C C . SER C 3 62 ? -10.701 -36.050 -37.626 1.00 58.31 ? 63 SER C C 1 ATOM 3495 O O . SER C 3 62 ? -9.982 -35.053 -37.511 1.00 57.35 ? 63 SER C O 1 ATOM 3496 C CB . SER C 3 62 ? -12.363 -36.036 -35.754 1.00 66.05 ? 63 SER C CB 1 ATOM 3497 O OG . SER C 3 62 ? -12.029 -34.678 -35.540 1.00 66.06 ? 63 SER C OG 1 ATOM 3498 N N . ALA C 3 63 ? -11.079 -36.546 -38.802 1.00 56.93 ? 64 ALA C N 1 ATOM 3499 C CA . ALA C 3 63 ? -10.607 -35.981 -40.063 1.00 53.76 ? 64 ALA C CA 1 ATOM 3500 C C . ALA C 3 63 ? -11.739 -35.625 -41.028 1.00 54.81 ? 64 ALA C C 1 ATOM 3501 O O . ALA C 3 63 ? -12.811 -36.229 -40.982 1.00 57.29 ? 64 ALA C O 1 ATOM 3502 C CB . ALA C 3 63 ? -9.622 -36.928 -40.717 1.00 50.81 ? 64 ALA C CB 1 ATOM 3503 N N . THR C 3 64 ? -11.488 -34.637 -41.889 1.00 53.48 ? 65 THR C N 1 ATOM 3504 C CA . THR C 3 64 ? -12.442 -34.208 -42.923 1.00 54.60 ? 65 THR C CA 1 ATOM 3505 C C . THR C 3 64 ? -11.745 -34.052 -44.272 1.00 51.60 ? 65 THR C C 1 ATOM 3506 O O . THR C 3 64 ? -10.631 -33.539 -44.336 1.00 49.97 ? 65 THR C O 1 ATOM 3507 C CB . THR C 3 64 ? -13.109 -32.850 -42.581 1.00 58.03 ? 65 THR C CB 1 ATOM 3508 O OG1 . THR C 3 64 ? -12.104 -31.833 -42.470 1.00 57.13 ? 65 THR C OG1 1 ATOM 3509 C CG2 . THR C 3 64 ? -13.904 -32.928 -41.281 1.00 61.69 ? 65 THR C CG2 1 ATOM 3510 N N . LEU C 3 65 ? -12.408 -34.483 -45.342 1.00 51.45 ? 66 LEU C N 1 ATOM 3511 C CA . LEU C 3 65 ? -11.862 -34.384 -46.698 1.00 49.05 ? 66 LEU C CA 1 ATOM 3512 C C . LEU C 3 65 ? -12.808 -33.654 -47.646 1.00 51.20 ? 66 LEU C C 1 ATOM 3513 O O . LEU C 3 65 ? -14.010 -33.926 -47.668 1.00 53.70 ? 66 LEU C O 1 ATOM 3514 C CB . LEU C 3 65 ? -11.542 -35.776 -47.253 1.00 46.76 ? 66 LEU C CB 1 ATOM 3515 C CG . LEU C 3 65 ? -11.252 -35.932 -48.753 1.00 45.30 ? 66 LEU C CG 1 ATOM 3516 C CD1 . LEU C 3 65 ? -9.970 -35.216 -49.167 1.00 43.33 ? 66 LEU C CD1 1 ATOM 3517 C CD2 . LEU C 3 65 ? -11.186 -37.406 -49.136 1.00 44.45 ? 66 LEU C CD2 1 ATOM 3518 N N . ASP C 3 66 ? -12.249 -32.731 -48.426 1.00 50.75 ? 67 ASP C N 1 ATOM 3519 C CA . ASP C 3 66 ? -12.982 -32.048 -49.490 1.00 52.86 ? 67 ASP C CA 1 ATOM 3520 C C . ASP C 3 66 ? -12.226 -32.219 -50.809 1.00 50.72 ? 67 ASP C C 1 ATOM 3521 O O . ASP C 3 66 ? -11.203 -31.574 -51.040 1.00 50.18 ? 67 ASP C O 1 ATOM 3522 C CB . ASP C 3 66 ? -13.176 -30.564 -49.147 1.00 56.22 ? 67 ASP C CB 1 ATOM 3523 C CG . ASP C 3 66 ? -14.130 -29.856 -50.095 0.70 59.94 ? 67 ASP C CG 1 ATOM 3524 O OD1 . ASP C 3 66 ? -14.721 -30.511 -50.981 0.70 59.93 ? 67 ASP C OD1 1 ATOM 3525 O OD2 . ASP C 3 66 ? -14.291 -28.628 -49.949 0.70 63.75 ? 67 ASP C OD2 1 ATOM 3526 N N . LYS C 3 67 ? -12.729 -33.104 -51.665 1.00 49.96 ? 68 LYS C N 1 ATOM 3527 C CA . LYS C 3 67 ? -12.020 -33.469 -52.892 1.00 47.94 ? 68 LYS C CA 1 ATOM 3528 C C . LYS C 3 67 ? -12.107 -32.390 -53.955 1.00 50.13 ? 68 LYS C C 1 ATOM 3529 O O . LYS C 3 67 ? -11.247 -32.308 -54.829 1.00 49.49 ? 68 LYS C O 1 ATOM 3530 C CB . LYS C 3 67 ? -12.521 -34.802 -53.446 1.00 46.98 ? 68 LYS C CB 1 ATOM 3531 C CG . LYS C 3 67 ? -11.985 -36.011 -52.715 1.00 44.39 ? 68 LYS C CG 1 ATOM 3532 C CD . LYS C 3 67 ? -12.525 -37.286 -53.333 1.00 44.67 ? 68 LYS C CD 1 ATOM 3533 C CE . LYS C 3 67 ? -11.911 -38.517 -52.704 1.00 42.90 ? 68 LYS C CE 1 ATOM 3534 N NZ . LYS C 3 67 ? -12.466 -39.754 -53.302 1.00 43.68 ? 68 LYS C NZ 1 ATOM 3535 N N . ASP C 3 68 ? -13.151 -31.573 -53.881 1.00 53.49 ? 69 ASP C N 1 ATOM 3536 C CA . ASP C 3 68 ? -13.300 -30.441 -54.789 1.00 56.66 ? 69 ASP C CA 1 ATOM 3537 C C . ASP C 3 68 ? -12.304 -29.343 -54.417 1.00 57.33 ? 69 ASP C C 1 ATOM 3538 O O . ASP C 3 68 ? -11.754 -28.677 -55.292 1.00 59.04 ? 69 ASP C O 1 ATOM 3539 C CB . ASP C 3 68 ? -14.743 -29.919 -54.787 1.00 61.05 ? 69 ASP C CB 1 ATOM 3540 C CG . ASP C 3 68 ? -15.734 -30.936 -55.342 1.00 60.79 ? 69 ASP C CG 1 ATOM 3541 N N . ALA C 3 69 ? -12.061 -29.182 -53.117 1.00 56.41 ? 70 ALA C N 1 ATOM 3542 C CA . ALA C 3 69 ? -11.047 -28.254 -52.612 1.00 56.91 ? 70 ALA C CA 1 ATOM 3543 C C . ALA C 3 69 ? -9.648 -28.855 -52.683 1.00 53.17 ? 70 ALA C C 1 ATOM 3544 O O . ALA C 3 69 ? -8.651 -28.135 -52.550 1.00 54.03 ? 70 ALA C O 1 ATOM 3545 C CB . ALA C 3 69 ? -11.367 -27.857 -51.185 1.00 58.06 ? 70 ALA C CB 1 ATOM 3546 N N . LYS C 3 70 ? -9.599 -30.174 -52.892 1.00 49.49 ? 71 LYS C N 1 ATOM 3547 C CA . LYS C 3 70 ? -8.373 -30.986 -52.859 1.00 46.16 ? 71 LYS C CA 1 ATOM 3548 C C . LYS C 3 70 ? -7.596 -30.841 -51.550 1.00 45.04 ? 71 LYS C C 1 ATOM 3549 O O . LYS C 3 70 ? -6.374 -30.687 -51.546 1.00 44.54 ? 71 LYS C O 1 ATOM 3550 C CB . LYS C 3 70 ? -7.491 -30.735 -54.089 1.00 46.94 ? 71 LYS C CB 1 ATOM 3551 C CG . LYS C 3 70 ? -8.163 -31.130 -55.405 1.00 48.26 ? 71 LYS C CG 1 ATOM 3552 C CD . LYS C 3 70 ? -7.269 -32.009 -56.275 1.00 46.82 ? 71 LYS C CD 1 ATOM 3553 C CE . LYS C 3 70 ? -7.975 -32.413 -57.550 1.00 47.56 ? 71 LYS C CE 1 ATOM 3554 N NZ . LYS C 3 70 ? -7.157 -33.372 -58.335 1.00 47.12 ? 71 LYS C NZ 1 ATOM 3555 N N . HIS C 3 71 ? -8.325 -30.946 -50.443 1.00 45.07 ? 72 HIS C N 1 ATOM 3556 C CA . HIS C 3 71 ? -7.844 -30.516 -49.134 1.00 45.47 ? 72 HIS C CA 1 ATOM 3557 C C . HIS C 3 71 ? -8.409 -31.365 -47.988 1.00 44.32 ? 72 HIS C C 1 ATOM 3558 O O . HIS C 3 71 ? -9.534 -31.866 -48.067 1.00 44.71 ? 72 HIS C O 1 ATOM 3559 C CB . HIS C 3 71 ? -8.191 -29.031 -48.934 1.00 49.34 ? 72 HIS C CB 1 ATOM 3560 C CG . HIS C 3 71 ? -7.959 -28.532 -47.545 1.00 50.48 ? 72 HIS C CG 1 ATOM 3561 N ND1 . HIS C 3 71 ? -8.950 -28.514 -46.589 1.00 52.31 ? 72 HIS C ND1 1 ATOM 3562 C CD2 . HIS C 3 71 ? -6.848 -28.043 -46.946 1.00 51.02 ? 72 HIS C CD2 1 ATOM 3563 C CE1 . HIS C 3 71 ? -8.463 -28.027 -45.462 1.00 53.39 ? 72 HIS C CE1 1 ATOM 3564 N NE2 . HIS C 3 71 ? -7.188 -27.736 -45.651 1.00 52.73 ? 72 HIS C NE2 1 ATOM 3565 N N . SER C 3 72 ? -7.620 -31.510 -46.924 1.00 43.53 ? 73 SER C N 1 ATOM 3566 C CA . SER C 3 72 ? -7.988 -32.333 -45.769 1.00 43.21 ? 73 SER C CA 1 ATOM 3567 C C . SER C 3 72 ? -7.466 -31.733 -44.466 1.00 44.48 ? 73 SER C C 1 ATOM 3568 O O . SER C 3 72 ? -6.465 -31.016 -44.473 1.00 44.96 ? 73 SER C O 1 ATOM 3569 C CB . SER C 3 72 ? -7.463 -33.762 -45.938 1.00 40.55 ? 73 SER C CB 1 ATOM 3570 O OG . SER C 3 72 ? -7.667 -34.529 -44.767 1.00 40.26 ? 73 SER C OG 1 ATOM 3571 N N . THR C 3 73 ? -8.144 -32.032 -43.357 1.00 45.86 ? 74 THR C N 1 ATOM 3572 C CA . THR C 3 73 ? -7.781 -31.488 -42.042 1.00 47.56 ? 74 THR C CA 1 ATOM 3573 C C . THR C 3 73 ? -7.892 -32.526 -40.918 1.00 47.46 ? 74 THR C C 1 ATOM 3574 O O . THR C 3 73 ? -8.952 -33.133 -40.723 1.00 48.56 ? 74 THR C O 1 ATOM 3575 C CB . THR C 3 73 ? -8.646 -30.256 -41.675 1.00 51.26 ? 74 THR C CB 1 ATOM 3576 O OG1 . THR C 3 73 ? -8.644 -29.318 -42.756 1.00 52.61 ? 74 THR C OG1 1 ATOM 3577 C CG2 . THR C 3 73 ? -8.113 -29.571 -40.434 1.00 52.92 ? 74 THR C CG2 1 ATOM 3578 N N . LEU C 3 74 ? -6.796 -32.709 -40.180 1.00 46.74 ? 75 LEU C N 1 ATOM 3579 C CA . LEU C 3 74 ? -6.771 -33.606 -39.024 1.00 47.24 ? 75 LEU C CA 1 ATOM 3580 C C . LEU C 3 74 ? -6.874 -32.844 -37.706 1.00 49.99 ? 75 LEU C C 1 ATOM 3581 O O . LEU C 3 74 ? -6.127 -31.893 -37.462 1.00 50.47 ? 75 LEU C O 1 ATOM 3582 C CB . LEU C 3 74 ? -5.507 -34.471 -39.027 1.00 45.15 ? 75 LEU C CB 1 ATOM 3583 C CG . LEU C 3 74 ? -5.372 -35.530 -37.924 1.00 45.83 ? 75 LEU C CG 1 ATOM 3584 C CD1 . LEU C 3 74 ? -6.596 -36.436 -37.843 1.00 46.41 ? 75 LEU C CD1 1 ATOM 3585 C CD2 . LEU C 3 74 ? -4.107 -36.355 -38.126 1.00 44.43 ? 75 LEU C CD2 1 ATOM 3586 N N . HIS C 3 75 ? -7.801 -33.283 -36.860 1.00 52.30 ? 76 HIS C N 1 ATOM 3587 C CA . HIS C 3 75 ? -8.028 -32.674 -35.558 1.00 55.39 ? 76 HIS C CA 1 ATOM 3588 C C . HIS C 3 75 ? -7.648 -33.637 -34.445 1.00 55.98 ? 76 HIS C C 1 ATOM 3589 O O . HIS C 3 75 ? -8.025 -34.813 -34.468 1.00 56.04 ? 76 HIS C O 1 ATOM 3590 C CB . HIS C 3 75 ? -9.503 -32.294 -35.393 1.00 59.00 ? 76 HIS C CB 1 ATOM 3591 C CG . HIS C 3 75 ? -10.014 -31.357 -36.442 1.00 59.62 ? 76 HIS C CG 1 ATOM 3592 N ND1 . HIS C 3 75 ? -10.157 -30.004 -36.225 1.00 62.67 ? 76 HIS C ND1 1 ATOM 3593 C CD2 . HIS C 3 75 ? -10.429 -31.581 -37.711 1.00 58.38 ? 76 HIS C CD2 1 ATOM 3594 C CE1 . HIS C 3 75 ? -10.633 -29.433 -37.317 1.00 63.32 ? 76 HIS C CE1 1 ATOM 3595 N NE2 . HIS C 3 75 ? -10.806 -30.368 -38.234 1.00 60.52 ? 76 HIS C NE2 1 ATOM 3596 N N . ILE C 3 76 ? -6.896 -33.133 -33.473 1.00 56.92 ? 77 ILE C N 1 ATOM 3597 C CA . ILE C 3 76 ? -6.673 -33.852 -32.231 1.00 58.71 ? 77 ILE C CA 1 ATOM 3598 C C . ILE C 3 76 ? -7.249 -33.004 -31.110 1.00 62.72 ? 77 ILE C C 1 ATOM 3599 O O . ILE C 3 76 ? -6.707 -31.947 -30.783 1.00 63.29 ? 77 ILE C O 1 ATOM 3600 C CB . ILE C 3 76 ? -5.179 -34.135 -31.969 1.00 57.00 ? 77 ILE C CB 1 ATOM 3601 C CG1 . ILE C 3 76 ? -4.555 -34.907 -33.134 1.00 53.51 ? 77 ILE C CG1 1 ATOM 3602 C CG2 . ILE C 3 76 ? -5.007 -34.922 -30.671 1.00 59.59 ? 77 ILE C CG2 1 ATOM 3603 C CD1 . ILE C 3 76 ? -3.054 -34.773 -33.225 1.00 51.65 ? 77 ILE C CD1 1 ATOM 3604 N N . THR C 3 77 ? -8.367 -33.465 -30.551 1.00 66.17 ? 78 THR C N 1 ATOM 3605 C CA . THR C 3 77 ? -9.021 -32.811 -29.415 1.00 70.90 ? 78 THR C CA 1 ATOM 3606 C C . THR C 3 77 ? -8.404 -33.330 -28.119 1.00 72.84 ? 78 THR C C 1 ATOM 3607 O O . THR C 3 77 ? -8.271 -34.544 -27.935 1.00 72.84 ? 78 THR C O 1 ATOM 3608 C CB . THR C 3 77 ? -10.551 -33.065 -29.417 1.00 74.46 ? 78 THR C CB 1 ATOM 3609 O OG1 . THR C 3 77 ? -11.117 -32.580 -30.639 1.00 73.13 ? 78 THR C OG1 1 ATOM 3610 C CG2 . THR C 3 77 ? -11.228 -32.359 -28.256 1.00 79.93 ? 78 THR C CG2 1 ATOM 3611 N N . ALA C 3 78 ? -8.034 -32.400 -27.235 1.00 75.05 ? 79 ALA C N 1 ATOM 3612 C CA . ALA C 3 78 ? -7.371 -32.702 -25.960 1.00 77.25 ? 79 ALA C CA 1 ATOM 3613 C C . ALA C 3 78 ? -6.058 -33.461 -26.171 1.00 73.96 ? 79 ALA C C 1 ATOM 3614 O O . ALA C 3 78 ? -5.968 -34.666 -25.912 1.00 74.51 ? 79 ALA C O 1 ATOM 3615 C CB . ALA C 3 78 ? -8.311 -33.459 -25.009 1.00 81.85 ? 79 ALA C CB 1 ATOM 3616 N N . THR C 3 79 ? -5.045 -32.738 -26.642 1.00 71.38 ? 80 THR C N 1 ATOM 3617 C CA . THR C 3 79 ? -3.759 -33.332 -26.996 1.00 68.60 ? 80 THR C CA 1 ATOM 3618 C C . THR C 3 79 ? -3.037 -33.883 -25.776 1.00 70.89 ? 80 THR C C 1 ATOM 3619 O O . THR C 3 79 ? -2.946 -33.215 -24.750 1.00 73.83 ? 80 THR C O 1 ATOM 3620 C CB . THR C 3 79 ? -2.830 -32.322 -27.703 1.00 66.35 ? 80 THR C CB 1 ATOM 3621 O OG1 . THR C 3 79 ? -3.603 -31.387 -28.464 1.00 66.24 ? 80 THR C OG1 1 ATOM 3622 C CG2 . THR C 3 79 ? -1.889 -33.050 -28.636 1.00 63.32 ? 80 THR C CG2 1 ATOM 3623 N N . LEU C 3 80 ? -2.536 -35.109 -25.901 1.00 70.17 ? 81 LEU C N 1 ATOM 3624 C CA . LEU C 3 80 ? -1.741 -35.743 -24.851 1.00 72.75 ? 81 LEU C CA 1 ATOM 3625 C C . LEU C 3 80 ? -0.249 -35.573 -25.124 1.00 71.02 ? 81 LEU C C 1 ATOM 3626 O O . LEU C 3 80 ? 0.146 -35.229 -26.240 1.00 67.83 ? 81 LEU C O 1 ATOM 3627 C CB . LEU C 3 80 ? -2.073 -37.235 -24.743 1.00 74.26 ? 81 LEU C CB 1 ATOM 3628 C CG . LEU C 3 80 ? -3.479 -37.689 -24.346 1.00 77.54 ? 81 LEU C CG 1 ATOM 3629 C CD1 . LEU C 3 80 ? -3.549 -39.209 -24.404 1.00 79.25 ? 81 LEU C CD1 1 ATOM 3630 C CD2 . LEU C 3 80 ? -3.881 -37.179 -22.963 1.00 82.07 ? 81 LEU C CD2 1 ATOM 3631 N N . LEU C 3 81 ? 0.575 -35.816 -24.104 1.00 73.71 ? 82 LEU C N 1 ATOM 3632 C CA . LEU C 3 81 ? 2.027 -35.810 -24.270 1.00 73.00 ? 82 LEU C CA 1 ATOM 3633 C C . LEU C 3 81 ? 2.451 -36.837 -25.306 1.00 70.81 ? 82 LEU C C 1 ATOM 3634 O O . LEU C 3 81 ? 3.268 -36.543 -26.177 1.00 68.73 ? 82 LEU C O 1 ATOM 3635 C CB . LEU C 3 81 ? 2.744 -36.101 -22.946 1.00 76.99 ? 82 LEU C CB 1 ATOM 3636 C CG . LEU C 3 81 ? 3.244 -34.958 -22.057 1.00 79.13 ? 82 LEU C CG 1 ATOM 3637 C CD1 . LEU C 3 81 ? 4.074 -35.537 -20.924 0.70 83.03 ? 82 LEU C CD1 1 ATOM 3638 C CD2 . LEU C 3 81 ? 4.064 -33.932 -22.832 0.70 76.98 ? 82 LEU C CD2 1 ATOM 3639 N N . ASP C 3 82 ? 1.868 -38.031 -25.213 1.00 71.96 ? 83 ASP C N 1 ATOM 3640 C CA . ASP C 3 82 ? 2.213 -39.155 -26.086 1.00 70.84 ? 83 ASP C CA 1 ATOM 3641 C C . ASP C 3 82 ? 1.763 -38.967 -27.542 1.00 66.69 ? 83 ASP C C 1 ATOM 3642 O O . ASP C 3 82 ? 1.939 -39.864 -28.368 1.00 65.84 ? 83 ASP C O 1 ATOM 3643 C CB . ASP C 3 82 ? 1.661 -40.467 -25.510 1.00 74.35 ? 83 ASP C CB 1 ATOM 3644 C CG . ASP C 3 82 ? 2.156 -40.747 -24.097 0.70 78.87 ? 83 ASP C CG 1 ATOM 3645 O OD1 . ASP C 3 82 ? 3.386 -40.827 -23.894 0.70 79.66 ? 83 ASP C OD1 1 ATOM 3646 O OD2 . ASP C 3 82 ? 1.310 -40.897 -23.189 0.70 81.83 ? 83 ASP C OD2 1 ATOM 3647 N N . ASP C 3 83 ? 1.194 -37.802 -27.852 1.00 64.62 ? 84 ASP C N 1 ATOM 3648 C CA . ASP C 3 83 ? 0.836 -37.448 -29.229 1.00 61.04 ? 84 ASP C CA 1 ATOM 3649 C C . ASP C 3 83 ? 1.987 -36.793 -29.984 1.00 59.06 ? 84 ASP C C 1 ATOM 3650 O O . ASP C 3 83 ? 1.846 -36.435 -31.155 1.00 56.55 ? 84 ASP C O 1 ATOM 3651 C CB . ASP C 3 83 ? -0.389 -36.535 -29.256 1.00 60.70 ? 84 ASP C CB 1 ATOM 3652 C CG . ASP C 3 83 ? -1.668 -37.271 -28.945 1.00 62.76 ? 84 ASP C CG 1 ATOM 3653 O OD1 . ASP C 3 83 ? -1.640 -38.519 -28.860 1.00 64.46 ? 84 ASP C OD1 1 ATOM 3654 O OD2 . ASP C 3 83 ? -2.710 -36.602 -28.786 1.00 63.98 ? 84 ASP C OD2 1 ATOM 3655 N N . THR C 3 84 ? 3.119 -36.632 -29.307 1.00 60.68 ? 85 THR C N 1 ATOM 3656 C CA . THR C 3 84 ? 4.299 -36.044 -29.916 1.00 59.96 ? 85 THR C CA 1 ATOM 3657 C C . THR C 3 84 ? 4.874 -37.000 -30.947 1.00 58.81 ? 85 THR C C 1 ATOM 3658 O O . THR C 3 84 ? 5.565 -37.964 -30.610 1.00 60.78 ? 85 THR C O 1 ATOM 3659 C CB . THR C 3 84 ? 5.340 -35.672 -28.860 1.00 62.89 ? 85 THR C CB 1 ATOM 3660 O OG1 . THR C 3 84 ? 4.725 -34.811 -27.894 1.00 64.61 ? 85 THR C OG1 1 ATOM 3661 C CG2 . THR C 3 84 ? 6.523 -34.952 -29.493 1.00 62.95 ? 85 THR C CG2 1 ATOM 3662 N N . ALA C 3 85 ? 4.552 -36.720 -32.206 1.00 56.12 ? 86 ALA C N 1 ATOM 3663 C CA . ALA C 3 85 ? 4.941 -37.552 -33.338 1.00 55.06 ? 86 ALA C CA 1 ATOM 3664 C C . ALA C 3 85 ? 4.862 -36.744 -34.628 1.00 52.86 ? 86 ALA C C 1 ATOM 3665 O O . ALA C 3 85 ? 4.463 -35.579 -34.615 1.00 52.30 ? 86 ALA C O 1 ATOM 3666 C CB . ALA C 3 85 ? 4.042 -38.779 -33.423 1.00 54.73 ? 86 ALA C CB 1 ATOM 3667 N N . THR C 3 86 ? 5.254 -37.363 -35.738 1.00 52.22 ? 87 THR C N 1 ATOM 3668 C CA . THR C 3 86 ? 5.120 -36.739 -37.047 1.00 50.60 ? 87 THR C CA 1 ATOM 3669 C C . THR C 3 86 ? 3.888 -37.293 -37.750 1.00 48.44 ? 87 THR C C 1 ATOM 3670 O O . THR C 3 86 ? 3.643 -38.503 -37.735 1.00 48.62 ? 87 THR C O 1 ATOM 3671 C CB . THR C 3 86 ? 6.366 -36.952 -37.907 1.00 51.80 ? 87 THR C CB 1 ATOM 3672 O OG1 . THR C 3 86 ? 7.524 -36.621 -37.137 1.00 54.97 ? 87 THR C OG1 1 ATOM 3673 C CG2 . THR C 3 86 ? 6.326 -36.061 -39.137 1.00 51.00 ? 87 THR C CG2 1 ATOM 3674 N N . TYR C 3 87 ? 3.112 -36.398 -38.351 1.00 47.00 ? 88 TYR C N 1 ATOM 3675 C CA . TYR C 3 87 ? 1.853 -36.769 -38.968 1.00 45.39 ? 88 TYR C CA 1 ATOM 3676 C C . TYR C 3 87 ? 1.919 -36.601 -40.477 1.00 44.31 ? 88 TYR C C 1 ATOM 3677 O O . TYR C 3 87 ? 2.227 -35.519 -40.983 1.00 44.42 ? 88 TYR C O 1 ATOM 3678 C CB . TYR C 3 87 ? 0.711 -35.960 -38.360 1.00 45.42 ? 88 TYR C CB 1 ATOM 3679 C CG . TYR C 3 87 ? 0.421 -36.328 -36.921 1.00 47.07 ? 88 TYR C CG 1 ATOM 3680 C CD1 . TYR C 3 87 ? 1.162 -35.777 -35.880 1.00 48.87 ? 88 TYR C CD1 1 ATOM 3681 C CD2 . TYR C 3 87 ? -0.590 -37.233 -36.601 1.00 47.62 ? 88 TYR C CD2 1 ATOM 3682 C CE1 . TYR C 3 87 ? 0.905 -36.114 -34.559 1.00 50.58 ? 88 TYR C CE1 1 ATOM 3683 C CE2 . TYR C 3 87 ? -0.853 -37.578 -35.279 1.00 49.47 ? 88 TYR C CE2 1 ATOM 3684 C CZ . TYR C 3 87 ? -0.101 -37.012 -34.266 1.00 50.84 ? 88 TYR C CZ 1 ATOM 3685 O OH . TYR C 3 87 ? -0.350 -37.337 -32.955 1.00 53.61 ? 88 TYR C OH 1 ATOM 3686 N N . ILE C 3 88 ? 1.629 -37.687 -41.187 1.00 43.80 ? 89 ILE C N 1 ATOM 3687 C CA . ILE C 3 88 ? 1.875 -37.755 -42.622 1.00 43.43 ? 89 ILE C CA 1 ATOM 3688 C C . ILE C 3 88 ? 0.582 -37.916 -43.419 1.00 42.17 ? 89 ILE C C 1 ATOM 3689 O O . ILE C 3 88 ? -0.198 -38.846 -43.186 1.00 42.20 ? 89 ILE C O 1 ATOM 3690 C CB . ILE C 3 88 ? 2.901 -38.868 -42.965 1.00 44.57 ? 89 ILE C CB 1 ATOM 3691 C CG1 . ILE C 3 88 ? 4.255 -38.543 -42.329 1.00 46.40 ? 89 ILE C CG1 1 ATOM 3692 C CG2 . ILE C 3 88 ? 3.064 -39.011 -44.470 1.00 44.42 ? 89 ILE C CG2 1 ATOM 3693 C CD1 . ILE C 3 88 ? 5.137 -39.739 -42.082 1.00 48.34 ? 89 ILE C CD1 1 ATOM 3694 N N . CYS C 3 89 ? 0.366 -36.988 -44.349 1.00 41.73 ? 90 CYS C N 1 ATOM 3695 C CA . CYS C 3 89 ? -0.770 -37.038 -45.255 1.00 40.83 ? 90 CYS C CA 1 ATOM 3696 C C . CYS C 3 89 ? -0.410 -37.856 -46.495 1.00 40.56 ? 90 CYS C C 1 ATOM 3697 O O . CYS C 3 89 ? 0.634 -37.635 -47.116 1.00 41.26 ? 90 CYS C O 1 ATOM 3698 C CB . CYS C 3 89 ? -1.189 -35.622 -45.647 1.00 41.12 ? 90 CYS C CB 1 ATOM 3699 S SG . CYS C 3 89 ? -2.637 -35.555 -46.710 1.00 41.63 ? 90 CYS C SG 1 ATOM 3700 N N . VAL C 3 90 ? -1.277 -38.808 -46.837 1.00 40.04 ? 91 VAL C N 1 ATOM 3701 C CA . VAL C 3 90 ? -1.062 -39.720 -47.964 1.00 40.02 ? 91 VAL C CA 1 ATOM 3702 C C . VAL C 3 90 ? -2.319 -39.815 -48.834 1.00 39.48 ? 91 VAL C C 1 ATOM 3703 O O . VAL C 3 90 ? -3.409 -40.122 -48.339 1.00 39.42 ? 91 VAL C O 1 ATOM 3704 C CB . VAL C 3 90 ? -0.667 -41.138 -47.478 1.00 41.07 ? 91 VAL C CB 1 ATOM 3705 C CG1 . VAL C 3 90 ? -0.592 -42.117 -48.638 1.00 41.65 ? 91 VAL C CG1 1 ATOM 3706 C CG2 . VAL C 3 90 ? 0.651 -41.101 -46.740 1.00 42.25 ? 91 VAL C CG2 1 ATOM 3707 N N . VAL C 3 91 ? -2.153 -39.544 -50.125 1.00 39.44 ? 92 VAL C N 1 ATOM 3708 C CA . VAL C 3 91 ? -3.239 -39.629 -51.100 1.00 39.23 ? 92 VAL C CA 1 ATOM 3709 C C . VAL C 3 91 ? -2.939 -40.776 -52.072 1.00 39.99 ? 92 VAL C C 1 ATOM 3710 O O . VAL C 3 91 ? -1.805 -40.914 -52.549 1.00 40.93 ? 92 VAL C O 1 ATOM 3711 C CB . VAL C 3 91 ? -3.398 -38.284 -51.870 1.00 39.47 ? 92 VAL C CB 1 ATOM 3712 C CG1 . VAL C 3 91 ? -4.610 -38.312 -52.791 1.00 39.73 ? 92 VAL C CG1 1 ATOM 3713 C CG2 . VAL C 3 91 ? -3.497 -37.108 -50.903 1.00 39.12 ? 92 VAL C CG2 1 ATOM 3714 N N . GLY C 3 92 ? -3.943 -41.604 -52.355 1.00 40.22 ? 93 GLY C N 1 ATOM 3715 C CA . GLY C 3 92 ? -3.752 -42.785 -53.210 1.00 41.39 ? 93 GLY C CA 1 ATOM 3716 C C . GLY C 3 92 ? -4.561 -42.720 -54.489 1.00 41.53 ? 93 GLY C C 1 ATOM 3717 O O . GLY C 3 92 ? -5.788 -42.749 -54.437 1.00 41.82 ? 93 GLY C O 1 ATOM 3718 N N . ASP C 3 93 ? -3.876 -42.659 -55.633 1.00 41.99 ? 94 ASP C N 1 ATOM 3719 C CA . ASP C 3 93 ? -4.514 -42.314 -56.914 1.00 42.21 ? 94 ASP C CA 1 ATOM 3720 C C . ASP C 3 93 ? -5.580 -43.274 -57.437 1.00 43.08 ? 94 ASP C C 1 ATOM 3721 O O . ASP C 3 93 ? -6.577 -42.826 -58.005 1.00 43.22 ? 94 ASP C O 1 ATOM 3722 C CB . ASP C 3 93 ? -3.481 -41.998 -58.007 1.00 43.43 ? 94 ASP C CB 1 ATOM 3723 C CG . ASP C 3 93 ? -2.407 -43.063 -58.143 1.00 45.11 ? 94 ASP C CG 1 ATOM 3724 O OD1 . ASP C 3 93 ? -2.721 -44.274 -58.076 1.00 46.50 ? 94 ASP C OD1 1 ATOM 3725 O OD2 . ASP C 3 93 ? -1.236 -42.676 -58.338 1.00 45.94 ? 94 ASP C OD2 1 ATOM 3726 N N . ARG C 3 94 ? -5.367 -44.577 -57.253 1.00 44.28 ? 95 ARG C N 1 ATOM 3727 C CA . ARG C 3 94 ? -6.346 -45.595 -57.654 1.00 45.79 ? 95 ARG C CA 1 ATOM 3728 C C . ARG C 3 94 ? -6.962 -46.281 -56.441 1.00 46.51 ? 95 ARG C C 1 ATOM 3729 O O . ARG C 3 94 ? -6.378 -46.281 -55.356 1.00 46.14 ? 95 ARG C O 1 ATOM 3730 C CB . ARG C 3 94 ? -5.700 -46.668 -58.534 1.00 48.07 ? 95 ARG C CB 1 ATOM 3731 C CG . ARG C 3 94 ? -4.882 -46.158 -59.701 1.00 48.14 ? 95 ARG C CG 1 ATOM 3732 C CD . ARG C 3 94 ? -5.692 -46.047 -60.974 1.00 48.26 ? 95 ARG C CD 1 ATOM 3733 N NE . ARG C 3 94 ? -4.819 -45.801 -62.118 1.00 49.57 ? 95 ARG C NE 1 ATOM 3734 C CZ . ARG C 3 94 ? -4.341 -44.606 -62.467 1.00 49.68 ? 95 ARG C CZ 1 ATOM 3735 N NH1 . ARG C 3 94 ? -3.548 -44.502 -63.527 1.00 51.82 ? 95 ARG C NH1 1 ATOM 3736 N NH2 . ARG C 3 94 ? -4.645 -43.514 -61.766 1.00 47.17 ? 95 ARG C NH2 1 ATOM 3737 N N . GLY C 3 95 ? -8.136 -46.875 -56.638 1.00 48.18 ? 96 GLY C N 1 ATOM 3738 C CA . GLY C 3 95 ? -8.786 -47.676 -55.606 1.00 49.89 ? 96 GLY C CA 1 ATOM 3739 C C . GLY C 3 95 ? -8.609 -49.164 -55.830 1.00 53.15 ? 96 GLY C C 1 ATOM 3740 O O . GLY C 3 95 ? -9.564 -49.931 -55.702 1.00 56.13 ? 96 GLY C O 1 ATOM 3741 N N . SER C 3 96 ? -7.386 -49.573 -56.166 1.00 53.34 ? 97 SER C N 1 ATOM 3742 C CA . SER C 3 96 ? -7.064 -50.992 -56.381 1.00 57.13 ? 97 SER C CA 1 ATOM 3743 C C . SER C 3 96 ? -5.590 -51.280 -56.115 1.00 57.49 ? 97 SER C C 1 ATOM 3744 O O . SER C 3 96 ? -4.846 -50.395 -55.680 1.00 54.97 ? 97 SER C O 1 ATOM 3745 C CB . SER C 3 96 ? -7.428 -51.425 -57.805 1.00 58.79 ? 97 SER C CB 1 ATOM 3746 O OG . SER C 3 96 ? -6.730 -50.647 -58.762 0.70 56.77 ? 97 SER C OG 1 ATOM 3747 N N . ALA C 3 97 ? -5.175 -52.515 -56.392 1.00 61.27 ? 98 ALA C N 1 ATOM 3748 C CA . ALA C 3 97 ? -3.787 -52.944 -56.208 1.00 62.85 ? 98 ALA C CA 1 ATOM 3749 C C . ALA C 3 97 ? -2.815 -52.213 -57.135 1.00 60.96 ? 98 ALA C C 1 ATOM 3750 O O . ALA C 3 97 ? -1.618 -52.146 -56.854 1.00 61.68 ? 98 ALA C O 1 ATOM 3751 C CB . ALA C 3 97 ? -3.665 -54.460 -56.387 1.00 68.45 ? 98 ALA C CB 1 ATOM 3752 N N . LEU C 3 98 ? -3.338 -51.658 -58.228 1.00 59.16 ? 99 LEU C N 1 ATOM 3753 C CA . LEU C 3 98 ? -2.524 -50.943 -59.214 1.00 58.14 ? 99 LEU C CA 1 ATOM 3754 C C . LEU C 3 98 ? -2.338 -49.462 -58.870 1.00 54.27 ? 99 LEU C C 1 ATOM 3755 O O . LEU C 3 98 ? -1.898 -48.674 -59.710 1.00 53.64 ? 99 LEU C O 1 ATOM 3756 C CB . LEU C 3 98 ? -3.131 -51.078 -60.615 1.00 58.92 ? 99 LEU C CB 1 ATOM 3757 C CG . LEU C 3 98 ? -3.486 -52.472 -61.135 1.00 62.86 ? 99 LEU C CG 1 ATOM 3758 C CD1 . LEU C 3 98 ? -4.363 -52.351 -62.366 1.00 62.83 ? 99 LEU C CD1 1 ATOM 3759 C CD2 . LEU C 3 98 ? -2.248 -53.318 -61.425 1.00 66.77 ? 99 LEU C CD2 1 ATOM 3760 N N . GLY C 3 99 ? -2.672 -49.090 -57.638 1.00 52.35 ? 100 GLY C N 1 ATOM 3761 C CA . GLY C 3 99 ? -2.530 -47.710 -57.189 1.00 49.30 ? 100 GLY C CA 1 ATOM 3762 C C . GLY C 3 99 ? -1.115 -47.354 -56.770 1.00 49.70 ? 100 GLY C C 1 ATOM 3763 O O . GLY C 3 99 ? -0.249 -48.235 -56.644 1.00 52.52 ? 100 GLY C O 1 ATOM 3764 N N . ARG C 3 100 ? -0.887 -46.059 -56.556 1.00 47.26 ? 103 ARG C N 1 ATOM 3765 C CA . ARG C 3 100 ? 0.408 -45.550 -56.131 1.00 47.78 ? 103 ARG C CA 1 ATOM 3766 C C . ARG C 3 100 ? 0.189 -44.414 -55.140 1.00 45.41 ? 103 ARG C C 1 ATOM 3767 O O . ARG C 3 100 ? -0.371 -43.370 -55.492 1.00 43.88 ? 103 ARG C O 1 ATOM 3768 C CB . ARG C 3 100 ? 1.216 -45.059 -57.337 1.00 49.23 ? 103 ARG C CB 1 ATOM 3769 C CG . ARG C 3 100 ? 2.716 -44.913 -57.084 1.00 51.56 ? 103 ARG C CG 1 ATOM 3770 C CD . ARG C 3 100 ? 3.481 -46.196 -57.401 0.70 55.19 ? 103 ARG C CD 1 ATOM 3771 N NE . ARG C 3 100 ? 3.962 -46.236 -58.784 0.70 57.54 ? 103 ARG C NE 1 ATOM 3772 C CZ . ARG C 3 100 ? 3.360 -46.873 -59.788 0.70 57.92 ? 103 ARG C CZ 1 ATOM 3773 N NH1 . ARG C 3 100 ? 3.893 -46.837 -61.003 1.00 60.42 ? 103 ARG C NH1 1 ATOM 3774 N NH2 . ARG C 3 100 ? 2.232 -47.544 -59.587 1.00 55.80 ? 103 ARG C NH2 1 ATOM 3775 N N . LEU C 3 101 ? 0.624 -44.626 -53.898 1.00 45.58 ? 104 LEU C N 1 ATOM 3776 C CA . LEU C 3 101 ? 0.450 -43.643 -52.834 1.00 43.45 ? 104 LEU C CA 1 ATOM 3777 C C . LEU C 3 101 ? 1.387 -42.461 -53.025 1.00 43.70 ? 104 LEU C C 1 ATOM 3778 O O . LEU C 3 101 ? 2.486 -42.606 -53.569 1.00 45.88 ? 104 LEU C O 1 ATOM 3779 C CB . LEU C 3 101 ? 0.690 -44.273 -51.458 1.00 44.05 ? 104 LEU C CB 1 ATOM 3780 C CG . LEU C 3 101 ? -0.166 -45.444 -50.961 1.00 44.75 ? 104 LEU C CG 1 ATOM 3781 C CD1 . LEU C 3 101 ? 0.232 -45.789 -49.536 1.00 45.47 ? 104 LEU C CD1 1 ATOM 3782 C CD2 . LEU C 3 101 ? -1.665 -45.160 -51.042 1.00 42.74 ? 104 LEU C CD2 1 ATOM 3783 N N . HIS C 3 102 ? 0.936 -41.291 -52.584 1.00 42.05 ? 105 HIS C N 1 ATOM 3784 C CA . HIS C 3 102 ? 1.741 -40.080 -52.628 1.00 42.76 ? 105 HIS C CA 1 ATOM 3785 C C . HIS C 3 102 ? 1.856 -39.533 -51.219 1.00 42.09 ? 105 HIS C C 1 ATOM 3786 O O . HIS C 3 102 ? 0.843 -39.276 -50.568 1.00 40.56 ? 105 HIS C O 1 ATOM 3787 C CB . HIS C 3 102 ? 1.100 -39.035 -53.534 1.00 42.41 ? 105 HIS C CB 1 ATOM 3788 C CG . HIS C 3 102 ? 0.865 -39.505 -54.932 1.00 43.22 ? 105 HIS C CG 1 ATOM 3789 N ND1 . HIS C 3 102 ? -0.332 -40.051 -55.339 1.00 42.25 ? 105 HIS C ND1 1 ATOM 3790 C CD2 . HIS C 3 102 ? 1.669 -39.503 -56.021 1.00 45.93 ? 105 HIS C CD2 1 ATOM 3791 C CE1 . HIS C 3 102 ? -0.254 -40.367 -56.620 1.00 43.96 ? 105 HIS C CE1 1 ATOM 3792 N NE2 . HIS C 3 102 ? 0.950 -40.047 -57.057 1.00 45.98 ? 105 HIS C NE2 1 ATOM 3793 N N . PHE C 3 103 ? 3.090 -39.346 -50.762 1.00 43.84 ? 106 PHE C N 1 ATOM 3794 C CA . PHE C 3 103 ? 3.363 -38.991 -49.374 1.00 43.68 ? 106 PHE C CA 1 ATOM 3795 C C . PHE C 3 103 ? 3.718 -37.517 -49.189 1.00 44.51 ? 106 PHE C C 1 ATOM 3796 O O . PHE C 3 103 ? 4.568 -36.979 -49.901 1.00 46.61 ? 106 PHE C O 1 ATOM 3797 C CB . PHE C 3 103 ? 4.486 -39.871 -48.824 1.00 45.75 ? 106 PHE C CB 1 ATOM 3798 C CG . PHE C 3 103 ? 4.180 -41.340 -48.864 1.00 45.93 ? 106 PHE C CG 1 ATOM 3799 C CD1 . PHE C 3 103 ? 4.221 -42.042 -50.061 1.00 46.68 ? 106 PHE C CD1 1 ATOM 3800 C CD2 . PHE C 3 103 ? 3.864 -42.026 -47.698 1.00 45.90 ? 106 PHE C CD2 1 ATOM 3801 C CE1 . PHE C 3 103 ? 3.937 -43.398 -50.098 1.00 47.80 ? 106 PHE C CE1 1 ATOM 3802 C CE2 . PHE C 3 103 ? 3.579 -43.382 -47.722 1.00 46.80 ? 106 PHE C CE2 1 ATOM 3803 C CZ . PHE C 3 103 ? 3.616 -44.071 -48.927 1.00 48.25 ? 106 PHE C CZ 1 ATOM 3804 N N . GLY C 3 104 ? 3.054 -36.874 -48.231 1.00 43.34 ? 107 GLY C N 1 ATOM 3805 C CA . GLY C 3 104 ? 3.406 -35.525 -47.814 1.00 44.74 ? 107 GLY C CA 1 ATOM 3806 C C . GLY C 3 104 ? 4.630 -35.548 -46.917 1.00 46.82 ? 107 GLY C C 1 ATOM 3807 O O . GLY C 3 104 ? 4.925 -36.565 -46.280 1.00 46.75 ? 107 GLY C O 1 ATOM 3808 N N . ALA C 3 105 ? 5.336 -34.421 -46.862 1.00 49.30 ? 108 ALA C N 1 ATOM 3809 C CA . ALA C 3 105 ? 6.580 -34.295 -46.099 1.00 51.86 ? 108 ALA C CA 1 ATOM 3810 C C . ALA C 3 105 ? 6.390 -34.440 -44.589 1.00 51.00 ? 108 ALA C C 1 ATOM 3811 O O . ALA C 3 105 ? 7.363 -34.623 -43.854 1.00 53.10 ? 108 ALA C O 1 ATOM 3812 C CB . ALA C 3 105 ? 7.252 -32.973 -46.418 1.00 55.29 ? 108 ALA C CB 1 ATOM 3813 N N . GLY C 3 106 ? 5.143 -34.351 -44.131 1.00 48.51 ? 109 GLY C N 1 ATOM 3814 C CA . GLY C 3 106 ? 4.820 -34.550 -42.721 1.00 47.78 ? 109 GLY C CA 1 ATOM 3815 C C . GLY C 3 106 ? 4.734 -33.275 -41.903 1.00 49.02 ? 109 GLY C C 1 ATOM 3816 O O . GLY C 3 106 ? 5.223 -32.220 -42.315 1.00 50.96 ? 109 GLY C O 1 ATOM 3817 N N . THR C 3 107 ? 4.094 -33.384 -40.742 1.00 48.37 ? 110 THR C N 1 ATOM 3818 C CA . THR C 3 107 ? 4.010 -32.298 -39.771 1.00 50.01 ? 110 THR C CA 1 ATOM 3819 C C . THR C 3 107 ? 4.449 -32.812 -38.406 1.00 50.71 ? 110 THR C C 1 ATOM 3820 O O . THR C 3 107 ? 3.868 -33.763 -37.880 1.00 49.51 ? 110 THR C O 1 ATOM 3821 C CB . THR C 3 107 ? 2.576 -31.724 -39.680 1.00 49.17 ? 110 THR C CB 1 ATOM 3822 O OG1 . THR C 3 107 ? 2.219 -31.140 -40.937 1.00 49.76 ? 110 THR C OG1 1 ATOM 3823 C CG2 . THR C 3 107 ? 2.477 -30.654 -38.602 1.00 51.23 ? 110 THR C CG2 1 ATOM 3824 N N . GLN C 3 108 ? 5.476 -32.180 -37.842 1.00 53.21 ? 111 GLN C N 1 ATOM 3825 C CA . GLN C 3 108 ? 5.969 -32.546 -36.520 1.00 54.53 ? 111 GLN C CA 1 ATOM 3826 C C . GLN C 3 108 ? 5.156 -31.851 -35.430 1.00 54.91 ? 111 GLN C C 1 ATOM 3827 O O . GLN C 3 108 ? 5.166 -30.624 -35.321 1.00 56.72 ? 111 GLN C O 1 ATOM 3828 C CB . GLN C 3 108 ? 7.458 -32.213 -36.383 1.00 57.69 ? 111 GLN C CB 1 ATOM 3829 C CG . GLN C 3 108 ? 8.113 -32.789 -35.133 1.00 59.76 ? 111 GLN C CG 1 ATOM 3830 C CD . GLN C 3 108 ? 9.604 -32.502 -35.065 1.00 64.25 ? 111 GLN C CD 1 ATOM 3831 O OE1 . GLN C 3 108 ? 10.368 -32.889 -35.959 1.00 65.46 ? 111 GLN C OE1 1 ATOM 3832 N NE2 . GLN C 3 108 ? 10.029 -31.827 -33.996 1.00 66.51 ? 111 GLN C NE2 1 ATOM 3833 N N . LEU C 3 109 ? 4.448 -32.648 -34.634 1.00 53.81 ? 112 LEU C N 1 ATOM 3834 C CA . LEU C 3 109 ? 3.666 -32.134 -33.516 1.00 54.66 ? 112 LEU C CA 1 ATOM 3835 C C . LEU C 3 109 ? 4.456 -32.265 -32.219 1.00 56.98 ? 112 LEU C C 1 ATOM 3836 O O . LEU C 3 109 ? 4.900 -33.360 -31.868 1.00 57.14 ? 112 LEU C O 1 ATOM 3837 C CB . LEU C 3 109 ? 2.326 -32.876 -33.407 1.00 53.08 ? 112 LEU C CB 1 ATOM 3838 C CG . LEU C 3 109 ? 1.327 -32.443 -32.327 1.00 54.57 ? 112 LEU C CG 1 ATOM 3839 C CD1 . LEU C 3 109 ? 0.632 -31.129 -32.684 1.00 54.97 ? 112 LEU C CD1 1 ATOM 3840 C CD2 . LEU C 3 109 ? 0.301 -33.536 -32.083 1.00 53.88 ? 112 LEU C CD2 1 ATOM 3841 N N . ILE C 3 110 ? 4.636 -31.140 -31.527 1.00 59.24 ? 113 ILE C N 1 ATOM 3842 C CA . ILE C 3 110 ? 5.312 -31.109 -30.227 1.00 61.90 ? 113 ILE C CA 1 ATOM 3843 C C . ILE C 3 110 ? 4.335 -30.621 -29.164 1.00 63.19 ? 113 ILE C C 1 ATOM 3844 O O . ILE C 3 110 ? 3.766 -29.535 -29.283 1.00 63.96 ? 113 ILE C O 1 ATOM 3845 C CB . ILE C 3 110 ? 6.575 -30.204 -30.233 1.00 64.68 ? 113 ILE C CB 1 ATOM 3846 C CG1 . ILE C 3 110 ? 7.503 -30.564 -31.399 1.00 64.04 ? 113 ILE C CG1 1 ATOM 3847 C CG2 . ILE C 3 110 ? 7.325 -30.328 -28.911 1.00 67.63 ? 113 ILE C CG2 1 ATOM 3848 C CD1 . ILE C 3 110 ? 8.471 -29.466 -31.787 1.00 67.08 ? 113 ILE C CD1 1 ATOM 3849 N N . VAL C 3 111 ? 4.148 -31.436 -28.130 1.00 64.01 ? 114 VAL C N 1 ATOM 3850 C CA . VAL C 3 111 ? 3.168 -31.158 -27.086 1.00 65.77 ? 114 VAL C CA 1 ATOM 3851 C C . VAL C 3 111 ? 3.877 -30.758 -25.797 1.00 69.31 ? 114 VAL C C 1 ATOM 3852 O O . VAL C 3 111 ? 4.570 -31.575 -25.187 1.00 70.52 ? 114 VAL C O 1 ATOM 3853 C CB . VAL C 3 111 ? 2.270 -32.385 -26.818 1.00 65.07 ? 114 VAL C CB 1 ATOM 3854 C CG1 . VAL C 3 111 ? 1.152 -32.026 -25.863 1.00 67.60 ? 114 VAL C CG1 1 ATOM 3855 C CG2 . VAL C 3 111 ? 1.697 -32.922 -28.117 1.00 61.89 ? 114 VAL C CG2 1 ATOM 3856 N N . ILE C 3 112 ? 3.702 -29.502 -25.390 1.00 71.46 ? 115 ILE C N 1 ATOM 3857 C CA . ILE C 3 112 ? 4.359 -28.983 -24.189 1.00 75.12 ? 115 ILE C CA 1 ATOM 3858 C C . ILE C 3 112 ? 3.515 -29.197 -22.934 1.00 77.42 ? 115 ILE C C 1 ATOM 3859 O O . ILE C 3 112 ? 2.338 -28.838 -22.910 1.00 77.84 ? 115 ILE C O 1 ATOM 3860 C CB . ILE C 3 112 ? 4.780 -27.490 -24.327 1.00 77.46 ? 115 ILE C CB 1 ATOM 3861 C CG1 . ILE C 3 112 ? 3.673 -26.653 -24.985 1.00 76.82 ? 115 ILE C CG1 1 ATOM 3862 C CG2 . ILE C 3 112 ? 6.096 -27.386 -25.102 1.00 77.39 ? 115 ILE C CG2 1 ATOM 3863 C CD1 . ILE C 3 112 ? 3.884 -25.149 -24.897 1.00 79.98 ? 115 ILE C CD1 1 ATOM 3864 N N . PRO C 3 113 ? 4.118 -29.795 -21.889 1.00 79.54 ? 116 PRO C N 1 ATOM 3865 C CA . PRO C 3 113 ? 3.393 -30.157 -20.672 1.00 82.31 ? 116 PRO C CA 1 ATOM 3866 C C . PRO C 3 113 ? 2.999 -28.961 -19.805 1.00 86.04 ? 116 PRO C C 1 ATOM 3867 O O . PRO C 3 113 ? 3.807 -28.055 -19.578 1.00 87.91 ? 116 PRO C O 1 ATOM 3868 C CB . PRO C 3 113 ? 4.391 -31.048 -19.928 1.00 83.96 ? 116 PRO C CB 1 ATOM 3869 C CG . PRO C 3 113 ? 5.712 -30.572 -20.382 1.00 83.66 ? 116 PRO C CG 1 ATOM 3870 C CD . PRO C 3 113 ? 5.535 -30.194 -21.817 1.00 80.05 ? 116 PRO C CD 1 ATOM 3871 N N . ASP C 3 114 ? 1.755 -28.969 -19.336 1.00 87.71 ? 117 ASP C N 1 ATOM 3872 C CA . ASP C 3 114 ? 1.273 -27.975 -18.388 1.00 92.14 ? 117 ASP C CA 1 ATOM 3873 C C . ASP C 3 114 ? 1.889 -28.272 -17.025 1.00 95.84 ? 117 ASP C C 1 ATOM 3874 O O . ASP C 3 114 ? 1.448 -29.178 -16.316 1.00 97.35 ? 117 ASP C O 1 ATOM 3875 C CB . ASP C 3 114 ? -0.261 -27.996 -18.316 1.00 93.38 ? 117 ASP C CB 1 ATOM 3876 C CG . ASP C 3 114 ? -0.829 -26.846 -17.497 1.00 98.76 ? 117 ASP C CG 1 ATOM 3877 O OD1 . ASP C 3 114 ? -0.413 -25.688 -17.718 1.00 100.17 ? 117 ASP C OD1 1 ATOM 3878 O OD2 . ASP C 3 114 ? -1.700 -27.098 -16.634 1.00 102.64 ? 117 ASP C OD2 1 ATOM 3879 N N . ILE C 3 115 ? 2.934 -27.522 -16.685 1.00 65.02 ? 118 ILE C N 1 ATOM 3880 C CA . ILE C 3 115 ? 3.613 -27.675 -15.401 1.00 61.61 ? 118 ILE C CA 1 ATOM 3881 C C . ILE C 3 115 ? 2.852 -26.888 -14.342 1.00 64.37 ? 118 ILE C C 1 ATOM 3882 O O . ILE C 3 115 ? 2.914 -25.653 -14.294 1.00 65.38 ? 118 ILE C O 1 ATOM 3883 C CB . ILE C 3 115 ? 5.101 -27.237 -15.462 1.00 57.18 ? 118 ILE C CB 1 ATOM 3884 C CG1 . ILE C 3 115 ? 5.859 -27.997 -16.562 1.00 55.23 ? 118 ILE C CG1 1 ATOM 3885 C CG2 . ILE C 3 115 ? 5.780 -27.417 -14.105 1.00 54.44 ? 118 ILE C CG2 1 ATOM 3886 C CD1 . ILE C 3 115 ? 5.922 -29.516 -16.382 1.00 54.28 ? 118 ILE C CD1 1 ATOM 3887 N N . GLN C 3 116 ? 2.133 -27.628 -13.502 1.00 66.15 ? 119 GLN C N 1 ATOM 3888 C CA . GLN C 3 116 ? 1.204 -27.063 -12.530 1.00 69.94 ? 119 GLN C CA 1 ATOM 3889 C C . GLN C 3 116 ? 1.919 -26.174 -11.510 1.00 68.08 ? 119 GLN C C 1 ATOM 3890 O O . GLN C 3 116 ? 1.501 -25.036 -11.273 1.00 70.94 ? 119 GLN C O 1 ATOM 3891 C CB . GLN C 3 116 ? 0.431 -28.192 -11.838 1.00 72.13 ? 119 GLN C CB 1 ATOM 3892 C CG . GLN C 3 116 ? -0.940 -27.796 -11.291 1.00 78.06 ? 119 GLN C CG 1 ATOM 3893 C CD . GLN C 3 116 ? -2.021 -27.693 -12.362 0.70 82.60 ? 119 GLN C CD 1 ATOM 3894 O OE1 . GLN C 3 116 ? -3.031 -27.018 -12.167 0.70 87.59 ? 119 GLN C OE1 1 ATOM 3895 N NE2 . GLN C 3 116 ? -1.815 -28.364 -13.491 0.70 81.36 ? 119 GLN C NE2 1 ATOM 3896 N N . ASN C 3 117 ? 2.999 -26.693 -10.928 1.00 63.84 ? 120 ASN C N 1 ATOM 3897 C CA . ASN C 3 117 ? 3.803 -25.949 -9.962 1.00 62.04 ? 120 ASN C CA 1 ATOM 3898 C C . ASN C 3 117 ? 5.284 -25.930 -10.350 1.00 57.39 ? 120 ASN C C 1 ATOM 3899 O O . ASN C 3 117 ? 6.017 -26.889 -10.088 1.00 54.54 ? 120 ASN C O 1 ATOM 3900 C CB . ASN C 3 117 ? 3.612 -26.510 -8.552 1.00 62.79 ? 120 ASN C CB 1 ATOM 3901 C CG . ASN C 3 117 ? 2.192 -26.345 -8.048 0.70 68.23 ? 120 ASN C CG 1 ATOM 3902 O OD1 . ASN C 3 117 ? 1.718 -25.227 -7.845 0.70 71.17 ? 120 ASN C OD1 1 ATOM 3903 N ND2 . ASN C 3 117 ? 1.506 -27.463 -7.841 0.70 70.27 ? 120 ASN C ND2 1 ATOM 3904 N N . PRO C 3 118 ? 5.726 -24.831 -10.984 1.00 57.22 ? 121 PRO C N 1 ATOM 3905 C CA . PRO C 3 118 ? 7.104 -24.722 -11.442 1.00 53.55 ? 121 PRO C CA 1 ATOM 3906 C C . PRO C 3 118 ? 8.057 -24.483 -10.278 1.00 51.78 ? 121 PRO C C 1 ATOM 3907 O O . PRO C 3 118 ? 7.860 -23.551 -9.496 1.00 53.93 ? 121 PRO C O 1 ATOM 3908 C CB . PRO C 3 118 ? 7.081 -23.499 -12.370 1.00 55.43 ? 121 PRO C CB 1 ATOM 3909 C CG . PRO C 3 118 ? 5.659 -22.998 -12.385 1.00 60.28 ? 121 PRO C CG 1 ATOM 3910 C CD . PRO C 3 118 ? 4.971 -23.589 -11.211 1.00 61.19 ? 121 PRO C CD 1 ATOM 3911 N N . ASP C 3 119 ? 9.078 -25.329 -10.174 1.00 48.58 ? 122 ASP C N 1 ATOM 3912 C CA . ASP C 3 119 ? 10.105 -25.207 -9.143 1.00 47.10 ? 122 ASP C CA 1 ATOM 3913 C C . ASP C 3 119 ? 11.503 -25.114 -9.782 1.00 44.25 ? 122 ASP C C 1 ATOM 3914 O O . ASP C 3 119 ? 12.337 -26.009 -9.593 1.00 42.26 ? 122 ASP C O 1 ATOM 3915 C CB . ASP C 3 119 ? 10.013 -26.397 -8.182 1.00 46.93 ? 122 ASP C CB 1 ATOM 3916 C CG . ASP C 3 119 ? 10.772 -26.174 -6.881 1.00 47.55 ? 122 ASP C CG 1 ATOM 3917 O OD1 . ASP C 3 119 ? 11.240 -25.045 -6.613 1.00 48.78 ? 122 ASP C OD1 1 ATOM 3918 O OD2 . ASP C 3 119 ? 10.891 -27.148 -6.110 1.00 48.97 ? 122 ASP C OD2 1 ATOM 3919 N N . PRO C 3 120 ? 11.773 -24.015 -10.519 1.00 44.63 ? 123 PRO C N 1 ATOM 3920 C CA . PRO C 3 120 ? 12.990 -23.916 -11.325 1.00 42.75 ? 123 PRO C CA 1 ATOM 3921 C C . PRO C 3 120 ? 14.235 -24.068 -10.467 1.00 41.26 ? 123 PRO C C 1 ATOM 3922 O O . PRO C 3 120 ? 14.317 -23.468 -9.393 1.00 42.60 ? 123 PRO C O 1 ATOM 3923 C CB . PRO C 3 120 ? 12.932 -22.493 -11.897 1.00 45.04 ? 123 PRO C CB 1 ATOM 3924 C CG . PRO C 3 120 ? 11.565 -22.002 -11.624 1.00 48.19 ? 123 PRO C CG 1 ATOM 3925 C CD . PRO C 3 120 ? 11.079 -22.722 -10.426 1.00 47.68 ? 123 PRO C CD 1 ATOM 3926 N N . ALA C 3 121 ? 15.187 -24.872 -10.930 1.00 39.05 ? 124 ALA C N 1 ATOM 3927 C CA . ALA C 3 121 ? 16.423 -25.094 -10.189 1.00 38.13 ? 124 ALA C CA 1 ATOM 3928 C C . ALA C 3 121 ? 17.528 -25.642 -11.076 1.00 36.65 ? 124 ALA C C 1 ATOM 3929 O O . ALA C 3 121 ? 17.257 -26.343 -12.046 1.00 35.87 ? 124 ALA C O 1 ATOM 3930 C CB . ALA C 3 121 ? 16.171 -26.034 -9.031 1.00 38.12 ? 124 ALA C CB 1 ATOM 3931 N N . VAL C 3 122 ? 18.771 -25.304 -10.740 1.00 36.84 ? 125 VAL C N 1 ATOM 3932 C CA . VAL C 3 122 ? 19.948 -25.864 -11.403 1.00 36.07 ? 125 VAL C CA 1 ATOM 3933 C C . VAL C 3 122 ? 20.804 -26.583 -10.368 1.00 36.15 ? 125 VAL C C 1 ATOM 3934 O O . VAL C 3 122 ? 21.345 -25.956 -9.454 1.00 37.39 ? 125 VAL C O 1 ATOM 3935 C CB . VAL C 3 122 ? 20.807 -24.783 -12.097 1.00 37.33 ? 125 VAL C CB 1 ATOM 3936 C CG1 . VAL C 3 122 ? 22.010 -25.416 -12.762 1.00 37.16 ? 125 VAL C CG1 1 ATOM 3937 C CG2 . VAL C 3 122 ? 19.991 -24.002 -13.114 1.00 38.44 ? 125 VAL C CG2 1 ATOM 3938 N N . TYR C 3 123 ? 20.920 -27.899 -10.507 1.00 35.31 ? 126 TYR C N 1 ATOM 3939 C CA . TYR C 3 123 ? 21.687 -28.695 -9.557 1.00 36.16 ? 126 TYR C CA 1 ATOM 3940 C C . TYR C 3 123 ? 23.004 -29.149 -10.176 1.00 36.59 ? 126 TYR C C 1 ATOM 3941 O O . TYR C 3 123 ? 23.218 -28.972 -11.375 1.00 36.13 ? 126 TYR C O 1 ATOM 3942 C CB . TYR C 3 123 ? 20.858 -29.891 -9.075 1.00 36.24 ? 126 TYR C CB 1 ATOM 3943 C CG . TYR C 3 123 ? 19.524 -29.509 -8.459 1.00 36.57 ? 126 TYR C CG 1 ATOM 3944 C CD1 . TYR C 3 123 ? 19.454 -28.933 -7.192 1.00 37.64 ? 126 TYR C CD1 1 ATOM 3945 C CD2 . TYR C 3 123 ? 18.332 -29.731 -9.146 1.00 36.31 ? 126 TYR C CD2 1 ATOM 3946 C CE1 . TYR C 3 123 ? 18.231 -28.583 -6.632 1.00 38.54 ? 126 TYR C CE1 1 ATOM 3947 C CE2 . TYR C 3 123 ? 17.106 -29.388 -8.594 1.00 36.60 ? 126 TYR C CE2 1 ATOM 3948 C CZ . TYR C 3 123 ? 17.060 -28.819 -7.339 1.00 37.95 ? 126 TYR C CZ 1 ATOM 3949 O OH . TYR C 3 123 ? 15.840 -28.476 -6.799 1.00 39.02 ? 126 TYR C OH 1 ATOM 3950 N N . GLN C 3 124 ? 23.890 -29.718 -9.363 1.00 38.15 ? 127 GLN C N 1 ATOM 3951 C CA . GLN C 3 124 ? 25.157 -30.242 -9.869 1.00 39.44 ? 127 GLN C CA 1 ATOM 3952 C C . GLN C 3 124 ? 25.353 -31.703 -9.493 1.00 40.63 ? 127 GLN C C 1 ATOM 3953 O O . GLN C 3 124 ? 25.387 -32.053 -8.317 1.00 42.25 ? 127 GLN C O 1 ATOM 3954 C CB . GLN C 3 124 ? 26.328 -29.406 -9.362 1.00 41.58 ? 127 GLN C CB 1 ATOM 3955 C CG . GLN C 3 124 ? 27.624 -29.668 -10.101 1.00 43.64 ? 127 GLN C CG 1 ATOM 3956 C CD . GLN C 3 124 ? 28.838 -29.169 -9.353 1.00 47.43 ? 127 GLN C CD 1 ATOM 3957 O OE1 . GLN C 3 124 ? 29.906 -29.773 -9.423 1.00 50.34 ? 127 GLN C OE1 1 ATOM 3958 N NE2 . GLN C 3 124 ? 28.683 -28.067 -8.626 1.00 48.53 ? 127 GLN C NE2 1 ATOM 3959 N N . LEU C 3 125 ? 25.488 -32.551 -10.502 1.00 40.56 ? 128 LEU C N 1 ATOM 3960 C CA . LEU C 3 125 ? 25.593 -33.989 -10.287 1.00 42.47 ? 128 LEU C CA 1 ATOM 3961 C C . LEU C 3 125 ? 27.003 -34.475 -10.569 1.00 45.02 ? 128 LEU C C 1 ATOM 3962 O O . LEU C 3 125 ? 27.597 -34.125 -11.589 1.00 44.92 ? 128 LEU C O 1 ATOM 3963 C CB . LEU C 3 125 ? 24.599 -34.743 -11.172 1.00 41.35 ? 128 LEU C CB 1 ATOM 3964 C CG . LEU C 3 125 ? 23.103 -34.597 -10.896 1.00 40.24 ? 128 LEU C CG 1 ATOM 3965 C CD1 . LEU C 3 125 ? 22.577 -33.206 -11.274 1.00 38.17 ? 128 LEU C CD1 1 ATOM 3966 C CD2 . LEU C 3 125 ? 22.363 -35.675 -11.652 1.00 40.49 ? 128 LEU C CD2 1 ATOM 3967 N N . ARG C 3 126 ? 27.527 -35.292 -9.662 1.00 47.95 ? 129 ARG C N 1 ATOM 3968 C CA . ARG C 3 126 ? 28.892 -35.784 -9.776 1.00 51.31 ? 129 ARG C CA 1 ATOM 3969 C C . ARG C 3 126 ? 28.931 -37.221 -10.278 1.00 53.21 ? 129 ARG C C 1 ATOM 3970 O O . ARG C 3 126 ? 28.019 -38.006 -10.007 1.00 53.13 ? 129 ARG C O 1 ATOM 3971 C CB . ARG C 3 126 ? 29.626 -35.649 -8.438 1.00 54.60 ? 129 ARG C CB 1 ATOM 3972 C CG . ARG C 3 126 ? 29.696 -34.220 -7.929 1.00 53.55 ? 129 ARG C CG 1 ATOM 3973 C CD . ARG C 3 126 ? 30.946 -33.975 -7.117 0.70 58.11 ? 129 ARG C CD 1 ATOM 3974 N NE . ARG C 3 126 ? 31.205 -32.545 -6.962 0.70 57.63 ? 129 ARG C NE 1 ATOM 3975 C CZ . ARG C 3 126 ? 31.908 -31.809 -7.819 0.70 57.72 ? 129 ARG C CZ 1 ATOM 3976 N NH1 . ARG C 3 126 ? 32.435 -32.362 -8.907 0.70 58.04 ? 129 ARG C NH1 1 ATOM 3977 N NH2 . ARG C 3 126 ? 32.086 -30.514 -7.587 0.70 57.83 ? 129 ARG C NH2 1 ATOM 3978 N N . ASP C 3 127 ? 29.997 -37.543 -11.009 1.00 55.37 ? 130 ASP C N 1 ATOM 3979 C CA . ASP C 3 127 ? 30.194 -38.853 -11.627 1.00 57.88 ? 130 ASP C CA 1 ATOM 3980 C C . ASP C 3 127 ? 30.105 -39.978 -10.605 1.00 61.46 ? 130 ASP C C 1 ATOM 3981 O O . ASP C 3 127 ? 30.566 -39.840 -9.476 1.00 63.77 ? 130 ASP C O 1 ATOM 3982 C CB . ASP C 3 127 ? 31.557 -38.891 -12.331 1.00 60.87 ? 130 ASP C CB 1 ATOM 3983 C CG . ASP C 3 127 ? 31.657 -39.984 -13.385 1.00 62.78 ? 130 ASP C CG 1 ATOM 3984 O OD1 . ASP C 3 127 ? 30.957 -41.013 -13.285 1.00 63.76 ? 130 ASP C OD1 1 ATOM 3985 O OD2 . ASP C 3 127 ? 32.460 -39.813 -14.323 1.00 64.06 ? 130 ASP C OD2 1 ATOM 3986 N N . SER C 3 128 ? 29.510 -41.091 -11.017 1.00 62.62 ? 131 SER C N 1 ATOM 3987 C CA . SER C 3 128 ? 29.369 -42.265 -10.163 1.00 67.15 ? 131 SER C CA 1 ATOM 3988 C C . SER C 3 128 ? 30.704 -42.967 -9.863 1.00 73.38 ? 131 SER C C 1 ATOM 3989 O O . SER C 3 128 ? 30.745 -43.925 -9.083 1.00 77.96 ? 131 SER C O 1 ATOM 3990 C CB . SER C 3 128 ? 28.381 -43.256 -10.793 1.00 67.37 ? 131 SER C CB 1 ATOM 3991 O OG . SER C 3 128 ? 28.253 -44.426 -10.003 1.00 72.07 ? 131 SER C OG 1 ATOM 3992 N N . LYS C 3 129 ? 31.786 -42.489 -10.476 1.00 74.13 ? 132 LYS C N 1 ATOM 3993 C CA . LYS C 3 129 ? 33.102 -43.113 -10.319 1.00 80.57 ? 132 LYS C CA 1 ATOM 3994 C C . LYS C 3 129 ? 34.212 -42.121 -9.949 1.00 81.68 ? 132 LYS C C 1 ATOM 3995 O O . LYS C 3 129 ? 35.224 -42.508 -9.352 1.00 87.40 ? 132 LYS C O 1 ATOM 3996 C CB . LYS C 3 129 ? 33.481 -43.902 -11.584 1.00 82.80 ? 132 LYS C CB 1 ATOM 3997 C CG . LYS C 3 129 ? 32.587 -45.113 -11.891 1.00 83.98 ? 132 LYS C CG 1 ATOM 3998 C CD . LYS C 3 129 ? 32.827 -46.274 -10.927 1.00 90.46 ? 132 LYS C CD 1 ATOM 3999 C CE . LYS C 3 129 ? 31.746 -47.337 -11.051 1.00 91.30 ? 132 LYS C CE 1 ATOM 4000 N N . SER C 3 130 ? 34.019 -40.850 -10.295 1.00 76.95 ? 133 SER C N 1 ATOM 4001 C CA . SER C 3 130 ? 35.044 -39.826 -10.071 1.00 78.26 ? 133 SER C CA 1 ATOM 4002 C C . SER C 3 130 ? 34.497 -38.519 -9.481 1.00 74.12 ? 133 SER C C 1 ATOM 4003 O O . SER C 3 130 ? 33.329 -38.166 -9.678 1.00 69.31 ? 133 SER C O 1 ATOM 4004 C CB . SER C 3 130 ? 35.807 -39.544 -11.371 1.00 78.67 ? 133 SER C CB 1 ATOM 4005 O OG . SER C 3 130 ? 34.990 -38.868 -12.318 1.00 73.11 ? 133 SER C OG 1 ATOM 4006 N N . SER C 3 131 ? 35.356 -37.805 -8.760 1.00 76.71 ? 134 SER C N 1 ATOM 4007 C CA . SER C 3 131 ? 34.995 -36.516 -8.180 1.00 73.75 ? 134 SER C CA 1 ATOM 4008 C C . SER C 3 131 ? 34.980 -35.417 -9.242 1.00 70.24 ? 134 SER C C 1 ATOM 4009 O O . SER C 3 131 ? 34.070 -34.576 -9.270 1.00 65.94 ? 134 SER C O 1 ATOM 4010 C CB . SER C 3 131 ? 35.967 -36.144 -7.057 1.00 78.54 ? 134 SER C CB 1 ATOM 4011 N N . ASP C 3 132 ? 35.983 -35.452 -10.119 1.00 72.63 ? 135 ASP C N 1 ATOM 4012 C CA . ASP C 3 132 ? 36.246 -34.379 -11.081 1.00 70.96 ? 135 ASP C CA 1 ATOM 4013 C C . ASP C 3 132 ? 35.137 -34.128 -12.114 1.00 65.67 ? 135 ASP C C 1 ATOM 4014 O O . ASP C 3 132 ? 34.764 -32.973 -12.358 1.00 63.14 ? 135 ASP C O 1 ATOM 4015 C CB . ASP C 3 132 ? 37.598 -34.600 -11.774 1.00 75.85 ? 135 ASP C CB 1 ATOM 4016 C CG . ASP C 3 132 ? 37.820 -36.045 -12.190 0.70 78.48 ? 135 ASP C CG 1 ATOM 4017 O OD1 . ASP C 3 132 ? 36.841 -36.818 -12.245 0.70 75.87 ? 135 ASP C OD1 1 ATOM 4018 O OD2 . ASP C 3 132 ? 38.983 -36.408 -12.465 0.70 83.73 ? 135 ASP C OD2 1 ATOM 4019 N N . LYS C 3 133 ? 34.617 -35.200 -12.714 1.00 64.54 ? 136 LYS C N 1 ATOM 4020 C CA . LYS C 3 133 ? 33.548 -35.081 -13.706 1.00 60.01 ? 136 LYS C CA 1 ATOM 4021 C C . LYS C 3 133 ? 32.196 -34.747 -13.070 1.00 55.72 ? 136 LYS C C 1 ATOM 4022 O O . LYS C 3 133 ? 31.663 -35.515 -12.261 1.00 55.65 ? 136 LYS C O 1 ATOM 4023 C CB . LYS C 3 133 ? 33.445 -36.347 -14.562 1.00 61.17 ? 136 LYS C CB 1 ATOM 4024 C CG . LYS C 3 133 ? 34.434 -36.403 -15.719 1.00 64.14 ? 136 LYS C CG 1 ATOM 4025 C CD . LYS C 3 133 ? 34.116 -37.551 -16.672 1.00 64.66 ? 136 LYS C CD 1 ATOM 4026 N N . SER C 3 134 ? 31.658 -33.587 -13.439 1.00 52.58 ? 137 SER C N 1 ATOM 4027 C CA . SER C 3 134 ? 30.327 -33.173 -13.005 1.00 48.83 ? 137 SER C CA 1 ATOM 4028 C C . SER C 3 134 ? 29.462 -32.739 -14.189 1.00 45.84 ? 137 SER C C 1 ATOM 4029 O O . SER C 3 134 ? 29.961 -32.572 -15.304 1.00 46.68 ? 137 SER C O 1 ATOM 4030 C CB . SER C 3 134 ? 30.419 -32.048 -11.969 1.00 48.86 ? 137 SER C CB 1 ATOM 4031 O OG . SER C 3 134 ? 30.521 -30.776 -12.588 1.00 48.58 ? 137 SER C OG 1 ATOM 4032 N N . VAL C 3 135 ? 28.163 -32.579 -13.940 1.00 42.86 ? 138 VAL C N 1 ATOM 4033 C CA . VAL C 3 135 ? 27.238 -31.987 -14.915 1.00 40.47 ? 138 VAL C CA 1 ATOM 4034 C C . VAL C 3 135 ? 26.350 -30.933 -14.252 1.00 38.44 ? 138 VAL C C 1 ATOM 4035 O O . VAL C 3 135 ? 26.365 -30.773 -13.033 1.00 38.60 ? 138 VAL C O 1 ATOM 4036 C CB . VAL C 3 135 ? 26.340 -33.046 -15.612 1.00 39.51 ? 138 VAL C CB 1 ATOM 4037 C CG1 . VAL C 3 135 ? 27.144 -33.885 -16.582 1.00 41.57 ? 138 VAL C CG1 1 ATOM 4038 C CG2 . VAL C 3 135 ? 25.638 -33.913 -14.588 1.00 39.17 ? 138 VAL C CG2 1 ATOM 4039 N N . CYS C 3 136 ? 25.580 -30.219 -15.061 1.00 37.03 ? 139 CYS C N 1 ATOM 4040 C CA . CYS C 3 136 ? 24.580 -29.302 -14.540 1.00 35.99 ? 139 CYS C CA 1 ATOM 4041 C C . CYS C 3 136 ? 23.188 -29.728 -14.994 1.00 34.50 ? 139 CYS C C 1 ATOM 4042 O O . CYS C 3 136 ? 22.949 -29.938 -16.188 1.00 34.67 ? 139 CYS C O 1 ATOM 4043 C CB . CYS C 3 136 ? 24.883 -27.858 -14.966 1.00 36.86 ? 139 CYS C CB 1 ATOM 4044 S SG . CYS C 3 136 ? 26.383 -27.188 -14.205 1.00 39.76 ? 139 CYS C SG 1 ATOM 4045 N N . LEU C 3 137 ? 22.279 -29.870 -14.037 1.00 33.54 ? 140 LEU C N 1 ATOM 4046 C CA . LEU C 3 137 ? 20.900 -30.197 -14.354 1.00 32.84 ? 140 LEU C CA 1 ATOM 4047 C C . LEU C 3 137 ? 19.968 -29.018 -14.113 1.00 32.85 ? 140 LEU C C 1 ATOM 4048 O O . LEU C 3 137 ? 19.785 -28.588 -12.973 1.00 33.10 ? 140 LEU C O 1 ATOM 4049 C CB . LEU C 3 137 ? 20.424 -31.412 -13.557 1.00 32.77 ? 140 LEU C CB 1 ATOM 4050 C CG . LEU C 3 137 ? 18.984 -31.827 -13.853 1.00 32.46 ? 140 LEU C CG 1 ATOM 4051 C CD1 . LEU C 3 137 ? 18.932 -32.702 -15.085 1.00 32.98 ? 140 LEU C CD1 1 ATOM 4052 C CD2 . LEU C 3 137 ? 18.403 -32.554 -12.674 1.00 33.93 ? 140 LEU C CD2 1 ATOM 4053 N N . PHE C 3 138 ? 19.394 -28.501 -15.195 1.00 33.27 ? 141 PHE C N 1 ATOM 4054 C CA . PHE C 3 138 ? 18.346 -27.488 -15.123 1.00 34.08 ? 141 PHE C CA 1 ATOM 4055 C C . PHE C 3 138 ? 17.016 -28.216 -15.218 1.00 34.42 ? 141 PHE C C 1 ATOM 4056 O O . PHE C 3 138 ? 16.745 -28.885 -16.214 1.00 35.04 ? 141 PHE C O 1 ATOM 4057 C CB . PHE C 3 138 ? 18.496 -26.477 -16.261 1.00 35.18 ? 141 PHE C CB 1 ATOM 4058 C CG . PHE C 3 138 ? 17.511 -25.344 -16.216 1.00 36.25 ? 141 PHE C CG 1 ATOM 4059 C CD1 . PHE C 3 138 ? 17.054 -24.836 -15.005 1.00 35.86 ? 141 PHE C CD1 1 ATOM 4060 C CD2 . PHE C 3 138 ? 17.073 -24.753 -17.396 1.00 38.09 ? 141 PHE C CD2 1 ATOM 4061 C CE1 . PHE C 3 138 ? 16.153 -23.777 -14.974 1.00 38.16 ? 141 PHE C CE1 1 ATOM 4062 C CE2 . PHE C 3 138 ? 16.176 -23.687 -17.375 1.00 40.00 ? 141 PHE C CE2 1 ATOM 4063 C CZ . PHE C 3 138 ? 15.716 -23.199 -16.162 1.00 40.12 ? 141 PHE C CZ 1 ATOM 4064 N N . THR C 3 139 ? 16.195 -28.098 -14.179 1.00 34.79 ? 142 THR C N 1 ATOM 4065 C CA . THR C 3 139 ? 15.006 -28.928 -14.062 1.00 35.50 ? 142 THR C CA 1 ATOM 4066 C C . THR C 3 139 ? 13.850 -28.177 -13.423 1.00 36.92 ? 142 THR C C 1 ATOM 4067 O O . THR C 3 139 ? 14.052 -27.108 -12.852 1.00 37.55 ? 142 THR C O 1 ATOM 4068 C CB . THR C 3 139 ? 15.326 -30.247 -13.289 1.00 35.11 ? 142 THR C CB 1 ATOM 4069 O OG1 . THR C 3 139 ? 14.219 -31.155 -13.378 1.00 36.57 ? 142 THR C OG1 1 ATOM 4070 C CG2 . THR C 3 139 ? 15.658 -29.971 -11.828 1.00 34.95 ? 142 THR C CG2 1 ATOM 4071 N N . ASP C 3 140 ? 12.645 -28.735 -13.553 1.00 38.28 ? 143 ASP C N 1 ATOM 4072 C CA . ASP C 3 140 ? 11.416 -28.236 -12.899 1.00 40.43 ? 143 ASP C CA 1 ATOM 4073 C C . ASP C 3 140 ? 10.951 -26.821 -13.268 1.00 42.19 ? 143 ASP C C 1 ATOM 4074 O O . ASP C 3 140 ? 10.145 -26.232 -12.555 1.00 44.00 ? 143 ASP C O 1 ATOM 4075 C CB . ASP C 3 140 ? 11.503 -28.383 -11.374 1.00 40.39 ? 143 ASP C CB 1 ATOM 4076 C CG . ASP C 3 140 ? 11.791 -29.801 -10.943 1.00 39.98 ? 143 ASP C CG 1 ATOM 4077 O OD1 . ASP C 3 140 ? 11.428 -30.724 -11.699 1.00 40.49 ? 143 ASP C OD1 1 ATOM 4078 O OD2 . ASP C 3 140 ? 12.376 -29.989 -9.850 1.00 39.72 ? 143 ASP C OD2 1 ATOM 4079 N N . PHE C 3 141 ? 11.458 -26.287 -14.373 1.00 42.30 ? 144 PHE C N 1 ATOM 4080 C CA . PHE C 3 141 ? 10.952 -25.034 -14.924 1.00 45.27 ? 144 PHE C CA 1 ATOM 4081 C C . PHE C 3 141 ? 9.698 -25.310 -15.746 1.00 48.16 ? 144 PHE C C 1 ATOM 4082 O O . PHE C 3 141 ? 9.434 -26.459 -16.120 1.00 47.66 ? 144 PHE C O 1 ATOM 4083 C CB . PHE C 3 141 ? 12.020 -24.327 -15.770 1.00 44.94 ? 144 PHE C CB 1 ATOM 4084 C CG . PHE C 3 141 ? 12.615 -25.185 -16.859 1.00 43.74 ? 144 PHE C CG 1 ATOM 4085 C CD1 . PHE C 3 141 ? 12.199 -25.044 -18.174 1.00 45.95 ? 144 PHE C CD1 1 ATOM 4086 C CD2 . PHE C 3 141 ? 13.605 -26.125 -16.570 1.00 41.20 ? 144 PHE C CD2 1 ATOM 4087 C CE1 . PHE C 3 141 ? 12.753 -25.829 -19.185 1.00 45.29 ? 144 PHE C CE1 1 ATOM 4088 C CE2 . PHE C 3 141 ? 14.160 -26.915 -17.572 1.00 39.92 ? 144 PHE C CE2 1 ATOM 4089 C CZ . PHE C 3 141 ? 13.736 -26.765 -18.879 1.00 42.08 ? 144 PHE C CZ 1 ATOM 4090 N N . ASP C 3 142 ? 8.917 -24.266 -16.013 1.00 51.95 ? 145 ASP C N 1 ATOM 4091 C CA . ASP C 3 142 ? 7.703 -24.423 -16.810 1.00 55.73 ? 145 ASP C CA 1 ATOM 4092 C C . ASP C 3 142 ? 8.035 -24.500 -18.298 1.00 56.80 ? 145 ASP C C 1 ATOM 4093 O O . ASP C 3 142 ? 9.184 -24.309 -18.699 1.00 55.01 ? 145 ASP C O 1 ATOM 4094 C CB . ASP C 3 142 ? 6.669 -23.326 -16.503 1.00 60.00 ? 145 ASP C CB 1 ATOM 4095 C CG . ASP C 3 142 ? 7.027 -21.967 -17.105 0.70 62.49 ? 145 ASP C CG 1 ATOM 4096 O OD1 . ASP C 3 142 ? 8.114 -21.810 -17.705 0.70 60.55 ? 145 ASP C OD1 1 ATOM 4097 O OD2 . ASP C 3 142 ? 6.197 -21.042 -16.970 0.70 66.82 ? 145 ASP C OD2 1 ATOM 4098 N N . SER C 3 143 ? 7.025 -24.771 -19.113 1.00 60.48 ? 146 SER C N 1 ATOM 4099 C CA . SER C 3 143 ? 7.229 -24.935 -20.540 1.00 62.28 ? 146 SER C CA 1 ATOM 4100 C C . SER C 3 143 ? 7.368 -23.602 -21.284 1.00 65.92 ? 146 SER C C 1 ATOM 4101 O O . SER C 3 143 ? 7.687 -23.584 -22.475 1.00 67.54 ? 146 SER C O 1 ATOM 4102 C CB . SER C 3 143 ? 6.111 -25.796 -21.122 1.00 65.22 ? 146 SER C CB 1 ATOM 4103 O OG . SER C 3 143 ? 6.065 -27.047 -20.453 1.00 62.67 ? 146 SER C OG 1 ATOM 4104 N N . GLN C 3 144 ? 7.148 -22.493 -20.576 1.00 67.86 ? 147 GLN C N 1 ATOM 4105 C CA . GLN C 3 144 ? 7.327 -21.150 -21.139 1.00 71.88 ? 147 GLN C CA 1 ATOM 4106 C C . GLN C 3 144 ? 8.801 -20.829 -21.411 1.00 69.68 ? 147 GLN C C 1 ATOM 4107 O O . GLN C 3 144 ? 9.120 -20.053 -22.312 1.00 72.86 ? 147 GLN C O 1 ATOM 4108 C CB . GLN C 3 144 ? 6.718 -20.093 -20.214 1.00 74.62 ? 147 GLN C CB 1 ATOM 4109 N N . THR C 3 145 ? 9.687 -21.438 -20.626 1.00 64.98 ? 148 THR C N 1 ATOM 4110 C CA . THR C 3 145 ? 11.136 -21.281 -20.777 1.00 63.00 ? 148 THR C CA 1 ATOM 4111 C C . THR C 3 145 ? 11.684 -22.048 -21.998 1.00 62.70 ? 148 THR C C 1 ATOM 4112 O O . THR C 3 145 ? 11.407 -23.240 -22.170 1.00 61.02 ? 148 THR C O 1 ATOM 4113 C CB . THR C 3 145 ? 11.871 -21.748 -19.485 1.00 58.37 ? 148 THR C CB 1 ATOM 4114 O OG1 . THR C 3 145 ? 11.342 -21.054 -18.345 1.00 59.32 ? 148 THR C OG1 1 ATOM 4115 C CG2 . THR C 3 145 ? 13.376 -21.502 -19.573 1.00 56.58 ? 148 THR C CG2 1 ATOM 4116 N N . ASN C 3 146 ? 12.451 -21.350 -22.839 1.00 64.98 ? 149 ASN C N 1 ATOM 4117 C CA . ASN C 3 146 ? 13.204 -21.973 -23.936 1.00 64.89 ? 149 ASN C CA 1 ATOM 4118 C C . ASN C 3 146 ? 14.710 -21.998 -23.644 1.00 62.16 ? 149 ASN C C 1 ATOM 4119 O O . ASN C 3 146 ? 15.271 -21.002 -23.173 1.00 62.95 ? 149 ASN C O 1 ATOM 4120 C CB . ASN C 3 146 ? 12.934 -21.249 -25.260 1.00 70.44 ? 149 ASN C CB 1 ATOM 4121 C CG . ASN C 3 146 ? 11.601 -21.637 -25.881 1.00 73.72 ? 149 ASN C CG 1 ATOM 4122 O OD1 . ASN C 3 146 ? 11.368 -22.804 -26.199 1.00 72.60 ? 149 ASN C OD1 1 ATOM 4123 N ND2 . ASN C 3 146 ? 10.724 -20.654 -26.067 1.00 78.86 ? 149 ASN C ND2 1 ATOM 4124 N N . VAL C 3 147 ? 15.361 -23.127 -23.930 1.00 59.52 ? 150 VAL C N 1 ATOM 4125 C CA . VAL C 3 147 ? 16.778 -23.312 -23.577 1.00 57.07 ? 150 VAL C CA 1 ATOM 4126 C C . VAL C 3 147 ? 17.746 -23.125 -24.756 1.00 59.49 ? 150 VAL C C 1 ATOM 4127 O O . VAL C 3 147 ? 17.956 -24.041 -25.549 1.00 59.49 ? 150 VAL C O 1 ATOM 4128 C CB . VAL C 3 147 ? 17.026 -24.679 -22.889 1.00 52.91 ? 150 VAL C CB 1 ATOM 4129 C CG1 . VAL C 3 147 ? 18.458 -24.768 -22.370 1.00 51.11 ? 150 VAL C CG1 1 ATOM 4130 C CG2 . VAL C 3 147 ? 16.045 -24.885 -21.750 1.00 51.05 ? 150 VAL C CG2 1 ATOM 4131 N N . SER C 3 148 ? 18.340 -21.934 -24.839 1.00 62.13 ? 151 SER C N 1 ATOM 4132 C CA . SER C 3 148 ? 19.285 -21.583 -25.902 1.00 65.41 ? 151 SER C CA 1 ATOM 4133 C C . SER C 3 148 ? 20.618 -22.306 -25.759 1.00 63.19 ? 151 SER C C 1 ATOM 4134 O O . SER C 3 148 ? 21.128 -22.467 -24.651 1.00 60.30 ? 151 SER C O 1 ATOM 4135 C CB . SER C 3 148 ? 19.526 -20.074 -25.924 1.00 69.46 ? 151 SER C CB 1 ATOM 4136 O OG . SER C 3 148 ? 18.317 -19.374 -26.143 1.00 72.67 ? 151 SER C OG 1 ATOM 4137 N N . GLN C 3 149 ? 21.186 -22.712 -26.893 1.00 65.40 ? 152 GLN C N 1 ATOM 4138 C CA . GLN C 3 149 ? 22.432 -23.487 -26.926 1.00 64.25 ? 152 GLN C CA 1 ATOM 4139 C C . GLN C 3 149 ? 23.670 -22.666 -26.537 1.00 65.71 ? 152 GLN C C 1 ATOM 4140 O O . GLN C 3 149 ? 23.567 -21.486 -26.180 1.00 67.50 ? 152 GLN C O 1 ATOM 4141 C CB . GLN C 3 149 ? 22.627 -24.148 -28.302 1.00 66.85 ? 152 GLN C CB 1 ATOM 4142 C CG . GLN C 3 149 ? 21.431 -24.975 -28.798 1.00 66.75 ? 152 GLN C CG 1 ATOM 4143 C CD . GLN C 3 149 ? 21.100 -26.169 -27.906 1.00 62.07 ? 152 GLN C CD 1 ATOM 4144 O OE1 . GLN C 3 149 ? 21.749 -27.212 -27.981 1.00 61.10 ? 152 GLN C OE1 1 ATOM 4145 N NE2 . GLN C 3 149 ? 20.073 -26.024 -27.071 1.00 59.64 ? 152 GLN C NE2 1 ATOM 4146 N N . SER C 3 150 ? 24.835 -23.305 -26.619 1.00 65.45 ? 153 SER C N 1 ATOM 4147 C CA . SER C 3 150 ? 26.094 -22.725 -26.152 1.00 66.81 ? 153 SER C CA 1 ATOM 4148 C C . SER C 3 150 ? 26.686 -21.694 -27.113 1.00 72.41 ? 153 SER C C 1 ATOM 4149 O O . SER C 3 150 ? 26.745 -21.916 -28.324 1.00 75.34 ? 153 SER C O 1 ATOM 4150 C CB . SER C 3 150 ? 27.114 -23.839 -25.888 1.00 65.21 ? 153 SER C CB 1 ATOM 4151 O OG . SER C 3 150 ? 28.313 -23.335 -25.320 1.00 66.85 ? 153 SER C OG 1 ATOM 4152 N N . LYS C 3 151 ? 27.122 -20.568 -26.553 1.00 74.34 ? 154 LYS C N 1 ATOM 4153 C CA . LYS C 3 151 ? 27.920 -19.591 -27.287 1.00 80.26 ? 154 LYS C CA 1 ATOM 4154 C C . LYS C 3 151 ? 29.395 -20.000 -27.255 1.00 81.43 ? 154 LYS C C 1 ATOM 4155 O O . LYS C 3 151 ? 30.202 -19.518 -28.054 1.00 86.77 ? 154 LYS C O 1 ATOM 4156 C CB . LYS C 3 151 ? 27.740 -18.191 -26.694 1.00 82.70 ? 154 LYS C CB 1 ATOM 4157 N N . ASP C 3 152 ? 29.729 -20.897 -26.327 1.00 77.02 ? 155 ASP C N 1 ATOM 4158 C CA . ASP C 3 152 ? 31.089 -21.404 -26.154 1.00 78.08 ? 155 ASP C CA 1 ATOM 4159 C C . ASP C 3 152 ? 31.275 -22.719 -26.904 1.00 77.20 ? 155 ASP C C 1 ATOM 4160 O O . ASP C 3 152 ? 30.362 -23.545 -26.958 1.00 73.59 ? 155 ASP C O 1 ATOM 4161 C CB . ASP C 3 152 ? 31.385 -21.609 -24.665 1.00 74.87 ? 155 ASP C CB 1 ATOM 4162 C CG . ASP C 3 152 ? 32.875 -21.719 -24.365 0.70 77.79 ? 155 ASP C CG 1 ATOM 4163 O OD1 . ASP C 3 152 ? 33.564 -22.569 -24.972 0.70 78.78 ? 155 ASP C OD1 1 ATOM 4164 O OD2 . ASP C 3 152 ? 33.353 -20.958 -23.496 0.70 79.35 ? 155 ASP C OD2 1 ATOM 4165 N N . SER C 3 153 ? 32.466 -22.905 -27.469 1.00 81.04 ? 156 SER C N 1 ATOM 4166 C CA . SER C 3 153 ? 32.795 -24.112 -28.233 1.00 81.33 ? 156 SER C CA 1 ATOM 4167 C C . SER C 3 153 ? 33.138 -25.315 -27.340 1.00 77.65 ? 156 SER C C 1 ATOM 4168 O O . SER C 3 153 ? 33.224 -26.449 -27.823 1.00 77.45 ? 156 SER C O 1 ATOM 4169 C CB . SER C 3 153 ? 33.944 -23.828 -29.208 1.00 87.80 ? 156 SER C CB 1 ATOM 4170 N N . ASP C 3 154 ? 33.322 -25.061 -26.044 1.00 75.17 ? 157 ASP C N 1 ATOM 4171 C CA . ASP C 3 154 ? 33.725 -26.093 -25.089 1.00 72.42 ? 157 ASP C CA 1 ATOM 4172 C C . ASP C 3 154 ? 32.595 -26.542 -24.159 1.00 66.70 ? 157 ASP C C 1 ATOM 4173 O O . ASP C 3 154 ? 32.656 -27.639 -23.592 1.00 64.76 ? 157 ASP C O 1 ATOM 4174 C CB . ASP C 3 154 ? 34.935 -25.626 -24.271 1.00 75.15 ? 157 ASP C CB 1 ATOM 4175 C CG . ASP C 3 154 ? 36.235 -25.657 -25.067 0.70 81.02 ? 157 ASP C CG 1 ATOM 4176 O OD1 . ASP C 3 154 ? 36.417 -26.573 -25.900 0.70 82.02 ? 157 ASP C OD1 1 ATOM 4177 O OD2 . ASP C 3 154 ? 37.083 -24.765 -24.847 0.70 85.02 ? 157 ASP C OD2 1 ATOM 4178 N N . VAL C 3 155 ? 31.576 -25.697 -24.000 1.00 64.47 ? 158 VAL C N 1 ATOM 4179 C CA . VAL C 3 155 ? 30.404 -26.031 -23.185 1.00 59.37 ? 158 VAL C CA 1 ATOM 4180 C C . VAL C 3 155 ? 29.354 -26.748 -24.032 1.00 57.56 ? 158 VAL C C 1 ATOM 4181 O O . VAL C 3 155 ? 29.124 -26.381 -25.184 1.00 59.90 ? 158 VAL C O 1 ATOM 4182 C CB . VAL C 3 155 ? 29.766 -24.777 -22.552 1.00 58.67 ? 158 VAL C CB 1 ATOM 4183 C CG1 . VAL C 3 155 ? 28.688 -25.174 -21.553 1.00 54.26 ? 158 VAL C CG1 1 ATOM 4184 C CG2 . VAL C 3 155 ? 30.821 -23.922 -21.872 1.00 61.35 ? 158 VAL C CG2 1 ATOM 4185 N N . TYR C 3 156 ? 28.723 -27.770 -23.459 1.00 53.92 ? 159 TYR C N 1 ATOM 4186 C CA . TYR C 3 156 ? 27.678 -28.516 -24.157 1.00 52.43 ? 159 TYR C CA 1 ATOM 4187 C C . TYR C 3 156 ? 26.350 -28.484 -23.406 1.00 48.95 ? 159 TYR C C 1 ATOM 4188 O O . TYR C 3 156 ? 26.206 -29.103 -22.351 1.00 46.59 ? 159 TYR C O 1 ATOM 4189 C CB . TYR C 3 156 ? 28.120 -29.959 -24.423 1.00 52.80 ? 159 TYR C CB 1 ATOM 4190 C CG . TYR C 3 156 ? 29.520 -30.067 -24.982 1.00 56.18 ? 159 TYR C CG 1 ATOM 4191 C CD1 . TYR C 3 156 ? 29.810 -29.652 -26.279 1.00 59.15 ? 159 TYR C CD1 1 ATOM 4192 C CD2 . TYR C 3 156 ? 30.559 -30.579 -24.207 1.00 56.83 ? 159 TYR C CD2 1 ATOM 4193 C CE1 . TYR C 3 156 ? 31.098 -29.741 -26.789 1.00 63.08 ? 159 TYR C CE1 1 ATOM 4194 C CE2 . TYR C 3 156 ? 31.852 -30.679 -24.709 1.00 60.70 ? 159 TYR C CE2 1 ATOM 4195 C CZ . TYR C 3 156 ? 32.114 -30.258 -26.000 1.00 63.79 ? 159 TYR C CZ 1 ATOM 4196 O OH . TYR C 3 156 ? 33.392 -30.355 -26.499 1.00 68.06 ? 159 TYR C OH 1 ATOM 4197 N N . ILE C 3 157 ? 25.389 -27.752 -23.967 1.00 49.10 ? 160 ILE C N 1 ATOM 4198 C CA . ILE C 3 157 ? 24.044 -27.634 -23.410 1.00 46.61 ? 160 ILE C CA 1 ATOM 4199 C C . ILE C 3 157 ? 23.061 -28.422 -24.288 1.00 46.76 ? 160 ILE C C 1 ATOM 4200 O O . ILE C 3 157 ? 23.085 -28.293 -25.514 1.00 49.43 ? 160 ILE C O 1 ATOM 4201 C CB . ILE C 3 157 ? 23.628 -26.140 -23.314 1.00 47.70 ? 160 ILE C CB 1 ATOM 4202 C CG1 . ILE C 3 157 ? 24.615 -25.372 -22.432 1.00 48.04 ? 160 ILE C CG1 1 ATOM 4203 C CG2 . ILE C 3 157 ? 22.212 -25.990 -22.775 1.00 46.04 ? 160 ILE C CG2 1 ATOM 4204 C CD1 . ILE C 3 157 ? 24.400 -23.871 -22.400 1.00 50.40 ? 160 ILE C CD1 1 ATOM 4205 N N . THR C 3 158 ? 22.210 -29.241 -23.672 1.00 44.39 ? 161 THR C N 1 ATOM 4206 C CA . THR C 3 158 ? 21.221 -30.011 -24.439 1.00 45.21 ? 161 THR C CA 1 ATOM 4207 C C . THR C 3 158 ? 19.871 -29.303 -24.504 1.00 45.55 ? 161 THR C C 1 ATOM 4208 O O . THR C 3 158 ? 19.626 -28.338 -23.777 1.00 44.74 ? 161 THR C O 1 ATOM 4209 C CB . THR C 3 158 ? 21.026 -31.475 -23.922 1.00 43.80 ? 161 THR C CB 1 ATOM 4210 O OG1 . THR C 3 158 ? 20.495 -31.463 -22.595 1.00 41.77 ? 161 THR C OG1 1 ATOM 4211 C CG2 . THR C 3 158 ? 22.336 -32.254 -23.941 1.00 44.24 ? 161 THR C CG2 1 ATOM 4212 N N . ASP C 3 159 ? 19.011 -29.789 -25.397 1.00 47.46 ? 162 ASP C N 1 ATOM 4213 C CA . ASP C 3 159 ? 17.662 -29.261 -25.577 1.00 48.76 ? 162 ASP C CA 1 ATOM 4214 C C . ASP C 3 159 ? 16.767 -29.835 -24.488 1.00 46.59 ? 162 ASP C C 1 ATOM 4215 O O . ASP C 3 159 ? 17.010 -30.945 -24.000 1.00 44.97 ? 162 ASP C O 1 ATOM 4216 C CB . ASP C 3 159 ? 17.130 -29.636 -26.965 1.00 52.22 ? 162 ASP C CB 1 ATOM 4217 C CG . ASP C 3 159 ? 15.997 -28.734 -27.430 0.70 55.12 ? 162 ASP C CG 1 ATOM 4218 O OD1 . ASP C 3 159 ? 15.064 -28.465 -26.644 0.70 54.24 ? 162 ASP C OD1 1 ATOM 4219 O OD2 . ASP C 3 159 ? 16.036 -28.301 -28.600 0.70 58.85 ? 162 ASP C OD2 1 ATOM 4220 N N . LYS C 3 160 ? 15.741 -29.074 -24.103 1.00 47.12 ? 163 LYS C N 1 ATOM 4221 C CA . LYS C 3 160 ? 14.856 -29.469 -23.004 1.00 45.54 ? 163 LYS C CA 1 ATOM 4222 C C . LYS C 3 160 ? 14.093 -30.744 -23.319 1.00 46.53 ? 163 LYS C C 1 ATOM 4223 O O . LYS C 3 160 ? 13.705 -30.990 -24.463 1.00 49.26 ? 163 LYS C O 1 ATOM 4224 C CB . LYS C 3 160 ? 13.902 -28.337 -22.597 1.00 46.65 ? 163 LYS C CB 1 ATOM 4225 C CG . LYS C 3 160 ? 13.050 -27.752 -23.714 1.00 50.48 ? 163 LYS C CG 1 ATOM 4226 C CD . LYS C 3 160 ? 12.067 -26.734 -23.158 1.00 52.07 ? 163 LYS C CD 1 ATOM 4227 C CE . LYS C 3 160 ? 11.239 -26.091 -24.254 1.00 57.08 ? 163 LYS C CE 1 ATOM 4228 N NZ . LYS C 3 160 ? 10.001 -25.461 -23.703 1.00 59.69 ? 163 LYS C NZ 1 ATOM 4229 N N . CYS C 3 161 ? 13.905 -31.562 -22.290 1.00 44.81 ? 164 CYS C N 1 ATOM 4230 C CA . CYS C 3 161 ? 13.289 -32.863 -22.443 1.00 46.01 ? 164 CYS C CA 1 ATOM 4231 C C . CYS C 3 161 ? 12.332 -33.155 -21.289 1.00 45.63 ? 164 CYS C C 1 ATOM 4232 O O . CYS C 3 161 ? 12.692 -33.022 -20.117 1.00 43.62 ? 164 CYS C O 1 ATOM 4233 C CB . CYS C 3 161 ? 14.369 -33.933 -22.537 1.00 45.30 ? 164 CYS C CB 1 ATOM 4234 S SG . CYS C 3 161 ? 13.737 -35.607 -22.566 1.00 48.35 ? 164 CYS C SG 1 ATOM 4235 N N . VAL C 3 162 ? 11.115 -33.554 -21.644 1.00 48.20 ? 165 VAL C N 1 ATOM 4236 C CA . VAL C 3 162 ? 10.038 -33.804 -20.694 1.00 48.96 ? 165 VAL C CA 1 ATOM 4237 C C . VAL C 3 162 ? 10.069 -35.254 -20.213 1.00 49.35 ? 165 VAL C C 1 ATOM 4238 O O . VAL C 3 162 ? 10.168 -36.177 -21.022 1.00 51.16 ? 165 VAL C O 1 ATOM 4239 C CB . VAL C 3 162 ? 8.664 -33.531 -21.352 1.00 52.77 ? 165 VAL C CB 1 ATOM 4240 C CG1 . VAL C 3 162 ? 7.537 -33.616 -20.328 1.00 54.34 ? 165 VAL C CG1 1 ATOM 4241 C CG2 . VAL C 3 162 ? 8.660 -32.179 -22.045 1.00 53.46 ? 165 VAL C CG2 1 ATOM 4242 N N . LEU C 3 163 ? 9.981 -35.447 -18.898 1.00 48.29 ? 166 LEU C N 1 ATOM 4243 C CA . LEU C 3 163 ? 9.849 -36.788 -18.324 1.00 49.60 ? 166 LEU C CA 1 ATOM 4244 C C . LEU C 3 163 ? 8.542 -36.933 -17.546 1.00 52.14 ? 166 LEU C C 1 ATOM 4245 O O . LEU C 3 163 ? 8.053 -35.971 -16.951 1.00 51.65 ? 166 LEU C O 1 ATOM 4246 C CB . LEU C 3 163 ? 11.065 -37.158 -17.456 1.00 47.20 ? 166 LEU C CB 1 ATOM 4247 C CG . LEU C 3 163 ? 11.333 -36.511 -16.091 1.00 45.13 ? 166 LEU C CG 1 ATOM 4248 C CD1 . LEU C 3 163 ? 10.585 -37.228 -14.981 1.00 47.55 ? 166 LEU C CD1 1 ATOM 4249 C CD2 . LEU C 3 163 ? 12.816 -36.521 -15.787 1.00 42.64 ? 166 LEU C CD2 1 ATOM 4250 N N . ASP C 3 164 ? 7.994 -38.143 -17.554 1.00 55.37 ? 167 ASP C N 1 ATOM 4251 C CA . ASP C 3 164 ? 6.729 -38.430 -16.894 1.00 58.79 ? 167 ASP C CA 1 ATOM 4252 C C . ASP C 3 164 ? 6.907 -39.513 -15.831 1.00 60.15 ? 167 ASP C C 1 ATOM 4253 O O . ASP C 3 164 ? 7.382 -40.617 -16.118 1.00 61.51 ? 167 ASP C O 1 ATOM 4254 C CB . ASP C 3 164 ? 5.680 -38.855 -17.931 1.00 63.10 ? 167 ASP C CB 1 ATOM 4255 C CG . ASP C 3 164 ? 4.260 -38.871 -17.373 1.00 67.20 ? 167 ASP C CG 1 ATOM 4256 O OD1 . ASP C 3 164 ? 3.970 -38.124 -16.412 1.00 66.37 ? 167 ASP C OD1 1 ATOM 4257 O OD2 . ASP C 3 164 ? 3.426 -39.633 -17.911 1.00 71.83 ? 167 ASP C OD2 1 ATOM 4258 N N . MET C 3 165 ? 6.530 -39.180 -14.600 1.00 60.38 ? 168 MET C N 1 ATOM 4259 C CA . MET C 3 165 ? 6.538 -40.136 -13.500 1.00 62.58 ? 168 MET C CA 1 ATOM 4260 C C . MET C 3 165 ? 5.142 -40.739 -13.359 1.00 67.97 ? 168 MET C C 1 ATOM 4261 O O . MET C 3 165 ? 4.284 -40.203 -12.650 1.00 69.46 ? 168 MET C O 1 ATOM 4262 C CB . MET C 3 165 ? 7.005 -39.465 -12.211 1.00 60.22 ? 168 MET C CB 1 ATOM 4263 C CG . MET C 3 165 ? 8.388 -38.856 -12.329 1.00 55.64 ? 168 MET C CG 1 ATOM 4264 S SD . MET C 3 165 ? 9.085 -38.315 -10.765 1.00 54.84 ? 168 MET C SD 1 ATOM 4265 C CE . MET C 3 165 ? 9.380 -39.880 -9.944 1.00 58.37 ? 168 MET C CE 1 ATOM 4266 N N . ARG C 3 166 ? 4.935 -41.856 -14.056 1.00 71.32 ? 169 ARG C N 1 ATOM 4267 C CA . ARG C 3 166 ? 3.613 -42.455 -14.252 1.00 77.16 ? 169 ARG C CA 1 ATOM 4268 C C . ARG C 3 166 ? 2.769 -42.570 -12.982 1.00 80.63 ? 169 ARG C C 1 ATOM 4269 O O . ARG C 3 166 ? 1.634 -42.086 -12.945 1.00 83.30 ? 169 ARG C O 1 ATOM 4270 C CB . ARG C 3 166 ? 3.734 -43.828 -14.931 1.00 80.92 ? 169 ARG C CB 1 ATOM 4271 C CG . ARG C 3 166 ? 4.069 -43.786 -16.421 1.00 79.98 ? 169 ARG C CG 1 ATOM 4272 C CD . ARG C 3 166 ? 4.423 -45.176 -16.934 1.00 83.67 ? 169 ARG C CD 1 ATOM 4273 N NE . ARG C 3 166 ? 4.926 -45.160 -18.307 0.70 82.88 ? 169 ARG C NE 1 ATOM 4274 C CZ . ARG C 3 166 ? 5.526 -46.189 -18.905 0.70 85.13 ? 169 ARG C CZ 1 ATOM 4275 N NH1 . ARG C 3 166 ? 5.716 -47.330 -18.253 0.70 88.63 ? 169 ARG C NH1 1 ATOM 4276 N NH2 . ARG C 3 166 ? 5.945 -46.077 -20.160 0.70 84.35 ? 169 ARG C NH2 1 ATOM 4277 N N . SER C 3 167 ? 3.328 -43.196 -11.946 1.00 81.12 ? 170 SER C N 1 ATOM 4278 C CA . SER C 3 167 ? 2.572 -43.508 -10.728 1.00 85.44 ? 170 SER C CA 1 ATOM 4279 C C . SER C 3 167 ? 2.343 -42.308 -9.806 1.00 83.27 ? 170 SER C C 1 ATOM 4280 O O . SER C 3 167 ? 1.639 -42.422 -8.800 1.00 87.18 ? 170 SER C O 1 ATOM 4281 C CB . SER C 3 167 ? 3.230 -44.659 -9.958 1.00 87.82 ? 170 SER C CB 1 ATOM 4282 O OG . SER C 3 167 ? 4.433 -44.240 -9.343 1.00 83.45 ? 170 SER C OG 1 ATOM 4283 N N . MET C 3 168 ? 2.931 -41.165 -10.151 1.00 77.61 ? 171 MET C N 1 ATOM 4284 C CA . MET C 3 168 ? 2.729 -39.939 -9.383 1.00 75.82 ? 171 MET C CA 1 ATOM 4285 C C . MET C 3 168 ? 2.197 -38.775 -10.221 1.00 74.22 ? 171 MET C C 1 ATOM 4286 O O . MET C 3 168 ? 2.077 -37.651 -9.719 1.00 72.77 ? 171 MET C O 1 ATOM 4287 C CB . MET C 3 168 ? 4.017 -39.533 -8.664 1.00 71.53 ? 171 MET C CB 1 ATOM 4288 C CG . MET C 3 168 ? 4.316 -40.361 -7.426 1.00 74.49 ? 171 MET C CG 1 ATOM 4289 S SD . MET C 3 168 ? 5.409 -39.514 -6.269 1.00 71.44 ? 171 MET C SD 1 ATOM 4290 C CE . MET C 3 168 ? 6.977 -39.604 -7.127 1.00 65.99 ? 171 MET C CE 1 ATOM 4291 N N . ASP C 3 169 ? 1.872 -39.053 -11.486 1.00 75.01 ? 172 ASP C N 1 ATOM 4292 C CA . ASP C 3 169 ? 1.382 -38.045 -12.439 1.00 74.32 ? 172 ASP C CA 1 ATOM 4293 C C . ASP C 3 169 ? 2.138 -36.723 -12.322 1.00 69.30 ? 172 ASP C C 1 ATOM 4294 O O . ASP C 3 169 ? 1.541 -35.651 -12.196 1.00 69.86 ? 172 ASP C O 1 ATOM 4295 C CB . ASP C 3 169 ? -0.132 -37.830 -12.293 1.00 79.89 ? 172 ASP C CB 1 ATOM 4296 C CG . ASP C 3 169 ? -0.739 -37.084 -13.476 0.70 81.01 ? 172 ASP C CG 1 ATOM 4297 O OD1 . ASP C 3 169 ? -0.306 -37.314 -14.627 0.70 79.74 ? 172 ASP C OD1 1 ATOM 4298 O OD2 . ASP C 3 169 ? -1.657 -36.267 -13.252 0.70 83.77 ? 172 ASP C OD2 1 ATOM 4299 N N . PHE C 3 170 ? 3.462 -36.823 -12.349 1.00 64.96 ? 173 PHE C N 1 ATOM 4300 C CA . PHE C 3 170 ? 4.333 -35.661 -12.297 1.00 60.56 ? 173 PHE C CA 1 ATOM 4301 C C . PHE C 3 170 ? 5.194 -35.588 -13.552 1.00 57.71 ? 173 PHE C C 1 ATOM 4302 O O . PHE C 3 170 ? 5.928 -36.525 -13.878 1.00 56.80 ? 173 PHE C O 1 ATOM 4303 C CB . PHE C 3 170 ? 5.204 -35.687 -11.035 1.00 58.47 ? 173 PHE C CB 1 ATOM 4304 C CG . PHE C 3 170 ? 6.074 -34.472 -10.875 1.00 54.58 ? 173 PHE C CG 1 ATOM 4305 C CD1 . PHE C 3 170 ? 5.549 -33.284 -10.366 1.00 55.37 ? 173 PHE C CD1 1 ATOM 4306 C CD2 . PHE C 3 170 ? 7.417 -34.514 -11.233 1.00 50.84 ? 173 PHE C CD2 1 ATOM 4307 C CE1 . PHE C 3 170 ? 6.348 -32.153 -10.219 1.00 52.70 ? 173 PHE C CE1 1 ATOM 4308 C CE2 . PHE C 3 170 ? 8.225 -33.391 -11.094 1.00 48.53 ? 173 PHE C CE2 1 ATOM 4309 C CZ . PHE C 3 170 ? 7.691 -32.205 -10.583 1.00 49.38 ? 173 PHE C CZ 1 ATOM 4310 N N . LYS C 3 171 ? 5.082 -34.463 -14.249 1.00 56.96 ? 174 LYS C N 1 ATOM 4311 C CA . LYS C 3 171 ? 5.843 -34.197 -15.461 1.00 54.93 ? 174 LYS C CA 1 ATOM 4312 C C . LYS C 3 171 ? 6.834 -33.083 -15.168 1.00 51.39 ? 174 LYS C C 1 ATOM 4313 O O . LYS C 3 171 ? 6.520 -32.161 -14.416 1.00 51.76 ? 174 LYS C O 1 ATOM 4314 C CB . LYS C 3 171 ? 4.897 -33.784 -16.590 1.00 58.05 ? 174 LYS C CB 1 ATOM 4315 C CG . LYS C 3 171 ? 3.932 -34.885 -17.026 1.00 62.43 ? 174 LYS C CG 1 ATOM 4316 C CD . LYS C 3 171 ? 2.640 -34.323 -17.601 1.00 67.24 ? 174 LYS C CD 1 ATOM 4317 C CE . LYS C 3 171 ? 1.681 -35.438 -18.019 1.00 72.75 ? 174 LYS C CE 1 ATOM 4318 N NZ . LYS C 3 171 ? 1.184 -36.262 -16.875 1.00 75.04 ? 174 LYS C NZ 1 ATOM 4319 N N . SER C 3 172 ? 8.035 -33.171 -15.737 1.00 48.68 ? 175 SER C N 1 ATOM 4320 C CA . SER C 3 172 ? 9.047 -32.137 -15.503 1.00 45.86 ? 175 SER C CA 1 ATOM 4321 C C . SER C 3 172 ? 10.012 -31.910 -16.670 1.00 44.48 ? 175 SER C C 1 ATOM 4322 O O . SER C 3 172 ? 10.536 -32.861 -17.258 1.00 44.34 ? 175 SER C O 1 ATOM 4323 C CB . SER C 3 172 ? 9.827 -32.420 -14.214 1.00 43.94 ? 175 SER C CB 1 ATOM 4324 O OG . SER C 3 172 ? 10.676 -33.541 -14.358 1.00 42.85 ? 175 SER C OG 1 ATOM 4325 N N . ASN C 3 173 ? 10.232 -30.634 -16.990 1.00 44.09 ? 176 ASN C N 1 ATOM 4326 C CA . ASN C 3 173 ? 11.234 -30.221 -17.967 1.00 43.02 ? 176 ASN C CA 1 ATOM 4327 C C . ASN C 3 173 ? 12.637 -30.287 -17.372 1.00 40.24 ? 176 ASN C C 1 ATOM 4328 O O . ASN C 3 173 ? 12.806 -30.195 -16.150 1.00 39.25 ? 176 ASN C O 1 ATOM 4329 C CB . ASN C 3 173 ? 10.950 -28.799 -18.452 1.00 44.54 ? 176 ASN C CB 1 ATOM 4330 C CG . ASN C 3 173 ? 9.656 -28.692 -19.234 1.00 48.23 ? 176 ASN C CG 1 ATOM 4331 O OD1 . ASN C 3 173 ? 9.377 -29.505 -20.120 1.00 49.77 ? 176 ASN C OD1 1 ATOM 4332 N ND2 . ASN C 3 173 ? 8.857 -27.677 -18.916 1.00 50.33 ? 176 ASN C ND2 1 ATOM 4333 N N . SER C 3 174 ? 13.638 -30.455 -18.235 1.00 39.48 ? 177 SER C N 1 ATOM 4334 C CA . SER C 3 174 ? 15.032 -30.554 -17.802 1.00 37.32 ? 177 SER C CA 1 ATOM 4335 C C . SER C 3 174 ? 15.994 -30.380 -18.962 1.00 37.53 ? 177 SER C C 1 ATOM 4336 O O . SER C 3 174 ? 15.795 -30.950 -20.032 1.00 39.10 ? 177 SER C O 1 ATOM 4337 C CB . SER C 3 174 ? 15.305 -31.901 -17.113 1.00 36.82 ? 177 SER C CB 1 ATOM 4338 O OG . SER C 3 174 ? 15.293 -32.977 -18.038 1.00 37.34 ? 177 SER C OG 1 ATOM 4339 N N . ALA C 3 175 ? 17.033 -29.587 -18.746 1.00 36.61 ? 178 ALA C N 1 ATOM 4340 C CA . ALA C 3 175 ? 18.154 -29.510 -19.676 1.00 37.07 ? 178 ALA C CA 1 ATOM 4341 C C . ALA C 3 175 ? 19.427 -29.891 -18.933 1.00 35.86 ? 178 ALA C C 1 ATOM 4342 O O . ALA C 3 175 ? 19.531 -29.693 -17.720 1.00 34.77 ? 178 ALA C O 1 ATOM 4343 C CB . ALA C 3 175 ? 18.273 -28.111 -20.278 1.00 38.53 ? 178 ALA C CB 1 ATOM 4344 N N . VAL C 3 176 ? 20.385 -30.458 -19.656 1.00 36.48 ? 179 VAL C N 1 ATOM 4345 C CA . VAL C 3 176 ? 21.646 -30.869 -19.054 1.00 36.21 ? 179 VAL C CA 1 ATOM 4346 C C . VAL C 3 176 ? 22.798 -30.158 -19.748 1.00 37.73 ? 179 VAL C C 1 ATOM 4347 O O . VAL C 3 176 ? 22.815 -30.045 -20.976 1.00 39.42 ? 179 VAL C O 1 ATOM 4348 C CB . VAL C 3 176 ? 21.825 -32.406 -19.103 1.00 36.51 ? 179 VAL C CB 1 ATOM 4349 C CG1 . VAL C 3 176 ? 23.182 -32.821 -18.556 1.00 36.91 ? 179 VAL C CG1 1 ATOM 4350 C CG2 . VAL C 3 176 ? 20.722 -33.082 -18.313 1.00 35.61 ? 179 VAL C CG2 1 ATOM 4351 N N . ALA C 3 177 ? 23.744 -29.663 -18.956 1.00 37.74 ? 180 ALA C N 1 ATOM 4352 C CA . ALA C 3 177 ? 24.910 -28.977 -19.491 1.00 39.75 ? 180 ALA C CA 1 ATOM 4353 C C . ALA C 3 177 ? 26.183 -29.460 -18.819 1.00 40.59 ? 180 ALA C C 1 ATOM 4354 O O . ALA C 3 177 ? 26.162 -29.863 -17.655 1.00 39.86 ? 180 ALA C O 1 ATOM 4355 C CB . ALA C 3 177 ? 24.762 -27.471 -19.330 1.00 40.42 ? 180 ALA C CB 1 ATOM 4356 N N . TRP C 3 178 ? 27.289 -29.420 -19.557 1.00 42.86 ? 181 TRP C N 1 ATOM 4357 C CA . TRP C 3 178 ? 28.602 -29.755 -19.014 1.00 44.58 ? 181 TRP C CA 1 ATOM 4358 C C . TRP C 3 178 ? 29.729 -29.130 -19.839 1.00 47.94 ? 181 TRP C C 1 ATOM 4359 O O . TRP C 3 178 ? 29.522 -28.699 -20.975 1.00 48.96 ? 181 TRP C O 1 ATOM 4360 C CB . TRP C 3 178 ? 28.782 -31.276 -18.909 1.00 44.75 ? 181 TRP C CB 1 ATOM 4361 C CG . TRP C 3 178 ? 28.945 -31.954 -20.224 1.00 45.93 ? 181 TRP C CG 1 ATOM 4362 C CD1 . TRP C 3 178 ? 30.117 -32.292 -20.822 1.00 48.93 ? 181 TRP C CD1 1 ATOM 4363 C CD2 . TRP C 3 178 ? 27.903 -32.367 -21.114 1.00 45.27 ? 181 TRP C CD2 1 ATOM 4364 N NE1 . TRP C 3 178 ? 29.877 -32.894 -22.030 1.00 50.42 ? 181 TRP C NE1 1 ATOM 4365 C CE2 . TRP C 3 178 ? 28.525 -32.953 -22.236 1.00 48.12 ? 181 TRP C CE2 1 ATOM 4366 C CE3 . TRP C 3 178 ? 26.503 -32.300 -21.074 1.00 43.03 ? 181 TRP C CE3 1 ATOM 4367 C CZ2 . TRP C 3 178 ? 27.797 -33.475 -23.313 1.00 48.52 ? 181 TRP C CZ2 1 ATOM 4368 C CZ3 . TRP C 3 178 ? 25.779 -32.818 -22.146 1.00 43.47 ? 181 TRP C CZ3 1 ATOM 4369 C CH2 . TRP C 3 178 ? 26.430 -33.399 -23.247 1.00 46.25 ? 181 TRP C CH2 1 ATOM 4370 N N . SER C 3 179 ? 30.922 -29.088 -19.257 1.00 50.26 ? 182 SER C N 1 ATOM 4371 C CA . SER C 3 179 ? 32.074 -28.495 -19.913 1.00 54.24 ? 182 SER C CA 1 ATOM 4372 C C . SER C 3 179 ? 33.369 -29.127 -19.426 1.00 57.28 ? 182 SER C C 1 ATOM 4373 O O . SER C 3 179 ? 33.520 -29.412 -18.239 1.00 56.85 ? 182 SER C O 1 ATOM 4374 C CB . SER C 3 179 ? 32.101 -26.986 -19.669 1.00 55.03 ? 182 SER C CB 1 ATOM 4375 O OG . SER C 3 179 ? 33.244 -26.393 -20.257 1.00 59.47 ? 182 SER C OG 1 ATOM 4376 N N . ASN C 3 180 ? 34.298 -29.347 -20.354 1.00 61.12 ? 183 ASN C N 1 ATOM 4377 C CA . ASN C 3 180 ? 35.642 -29.812 -20.014 1.00 65.20 ? 183 ASN C CA 1 ATOM 4378 C C . ASN C 3 180 ? 36.421 -28.750 -19.235 1.00 67.64 ? 183 ASN C C 1 ATOM 4379 O O . ASN C 3 180 ? 37.357 -29.076 -18.504 1.00 70.57 ? 183 ASN C O 1 ATOM 4380 C CB . ASN C 3 180 ? 36.410 -30.213 -21.276 1.00 69.06 ? 183 ASN C CB 1 ATOM 4381 N N . LYS C 3 181 ? 36.013 -27.488 -19.395 1.00 66.97 ? 184 LYS C N 1 ATOM 4382 C CA . LYS C 3 181 ? 36.659 -26.342 -18.755 1.00 69.60 ? 184 LYS C CA 1 ATOM 4383 C C . LYS C 3 181 ? 36.310 -26.266 -17.276 1.00 67.44 ? 184 LYS C C 1 ATOM 4384 O O . LYS C 3 181 ? 36.878 -25.463 -16.537 1.00 70.12 ? 184 LYS C O 1 ATOM 4385 C CB . LYS C 3 181 ? 36.262 -25.039 -19.456 1.00 70.15 ? 184 LYS C CB 1 ATOM 4386 N N . ASP C 3 183 ? 36.826 -22.686 -15.107 1.00 73.38 ? 186 ASP C N 1 ATOM 4387 C CA . ASP C 3 183 ? 36.031 -21.524 -14.718 1.00 72.62 ? 186 ASP C CA 1 ATOM 4388 C C . ASP C 3 183 ? 34.538 -21.767 -14.921 1.00 67.15 ? 186 ASP C C 1 ATOM 4389 O O . ASP C 3 183 ? 33.716 -20.874 -14.684 1.00 66.40 ? 186 ASP C O 1 ATOM 4390 C CB . ASP C 3 183 ? 36.467 -20.282 -15.504 1.00 77.13 ? 186 ASP C CB 1 ATOM 4391 C CG . ASP C 3 183 ? 36.120 -20.370 -16.984 0.70 76.68 ? 186 ASP C CG 1 ATOM 4392 O OD1 . ASP C 3 183 ? 36.339 -21.441 -17.593 0.70 75.72 ? 186 ASP C OD1 1 ATOM 4393 O OD2 . ASP C 3 183 ? 35.633 -19.362 -17.540 0.70 77.99 ? 186 ASP C OD2 1 ATOM 4394 N N . PHE C 3 184 ? 34.192 -22.976 -15.361 1.00 63.89 ? 187 PHE C N 1 ATOM 4395 C CA . PHE C 3 184 ? 32.800 -23.325 -15.623 1.00 59.05 ? 187 PHE C CA 1 ATOM 4396 C C . PHE C 3 184 ? 32.041 -23.625 -14.335 1.00 56.12 ? 187 PHE C C 1 ATOM 4397 O O . PHE C 3 184 ? 32.134 -24.725 -13.778 1.00 54.88 ? 187 PHE C O 1 ATOM 4398 C CB . PHE C 3 184 ? 32.699 -24.499 -16.601 1.00 57.42 ? 187 PHE C CB 1 ATOM 4399 C CG . PHE C 3 184 ? 31.286 -24.952 -16.866 1.00 52.99 ? 187 PHE C CG 1 ATOM 4400 C CD1 . PHE C 3 184 ? 30.831 -26.176 -16.377 1.00 49.56 ? 187 PHE C CD1 1 ATOM 4401 C CD2 . PHE C 3 184 ? 30.409 -24.152 -17.603 1.00 51.95 ? 187 PHE C CD2 1 ATOM 4402 C CE1 . PHE C 3 184 ? 29.530 -26.598 -16.618 1.00 46.13 ? 187 PHE C CE1 1 ATOM 4403 C CE2 . PHE C 3 184 ? 29.107 -24.566 -17.849 1.00 48.30 ? 187 PHE C CE2 1 ATOM 4404 C CZ . PHE C 3 184 ? 28.666 -25.795 -17.356 1.00 45.56 ? 187 PHE C CZ 1 ATOM 4405 N N . ALA C 3 185 ? 31.296 -22.626 -13.871 1.00 55.63 ? 188 ALA C N 1 ATOM 4406 C CA . ALA C 3 185 ? 30.422 -22.779 -12.720 1.00 53.02 ? 188 ALA C CA 1 ATOM 4407 C C . ALA C 3 185 ? 29.036 -23.205 -13.173 1.00 49.10 ? 188 ALA C C 1 ATOM 4408 O O . ALA C 3 185 ? 28.563 -22.810 -14.241 1.00 48.89 ? 188 ALA C O 1 ATOM 4409 C CB . ALA C 3 185 ? 30.351 -21.488 -11.928 1.00 55.36 ? 188 ALA C CB 1 ATOM 4410 N N . CYS C 3 186 ? 28.390 -24.004 -12.335 1.00 46.62 ? 189 CYS C N 1 ATOM 4411 C CA . CYS C 3 186 ? 27.076 -24.560 -12.609 1.00 43.10 ? 189 CYS C CA 1 ATOM 4412 C C . CYS C 3 186 ? 25.969 -23.511 -12.574 1.00 42.46 ? 189 CYS C C 1 ATOM 4413 O O . CYS C 3 186 ? 24.937 -23.680 -13.208 1.00 40.49 ? 189 CYS C O 1 ATOM 4414 C CB . CYS C 3 186 ? 26.789 -25.659 -11.591 1.00 41.88 ? 189 CYS C CB 1 ATOM 4415 S SG . CYS C 3 186 ? 25.900 -27.079 -12.225 1.00 39.60 ? 189 CYS C SG 1 ATOM 4416 N N . ALA C 3 187 ? 26.187 -22.434 -11.825 1.00 44.75 ? 190 ALA C N 1 ATOM 4417 C CA . ALA C 3 187 ? 25.248 -21.305 -11.791 1.00 45.62 ? 190 ALA C CA 1 ATOM 4418 C C . ALA C 3 187 ? 25.205 -20.595 -13.138 1.00 46.99 ? 190 ALA C C 1 ATOM 4419 O O . ALA C 3 187 ? 24.146 -20.478 -13.747 1.00 46.34 ? 190 ALA C O 1 ATOM 4420 C CB . ALA C 3 187 ? 25.599 -20.324 -10.672 1.00 48.35 ? 190 ALA C CB 1 ATOM 4421 N N . ASN C 3 188 ? 26.357 -20.142 -13.612 1.00 49.72 ? 191 ASN C N 1 ATOM 4422 C CA . ASN C 3 188 ? 26.425 -19.510 -14.922 1.00 52.03 ? 191 ASN C CA 1 ATOM 4423 C C . ASN C 3 188 ? 26.806 -20.526 -15.989 1.00 50.75 ? 191 ASN C C 1 ATOM 4424 O O . ASN C 3 188 ? 27.946 -20.579 -16.457 1.00 52.99 ? 191 ASN C O 1 ATOM 4425 C CB . ASN C 3 188 ? 27.337 -18.278 -14.899 1.00 56.67 ? 191 ASN C CB 1 ATOM 4426 C CG . ASN C 3 188 ? 26.774 -17.161 -14.035 1.00 58.48 ? 191 ASN C CG 1 ATOM 4427 O OD1 . ASN C 3 188 ? 25.562 -17.074 -13.824 1.00 56.54 ? 191 ASN C OD1 1 ATOM 4428 N ND2 . ASN C 3 188 ? 27.650 -16.304 -13.525 1.00 62.89 ? 191 ASN C ND2 1 ATOM 4429 N N . ALA C 3 189 ? 25.816 -21.341 -16.339 1.00 47.82 ? 192 ALA C N 1 ATOM 4430 C CA . ALA C 3 189 ? 25.957 -22.453 -17.273 1.00 46.46 ? 192 ALA C CA 1 ATOM 4431 C C . ALA C 3 189 ? 24.884 -22.311 -18.335 1.00 46.53 ? 192 ALA C C 1 ATOM 4432 O O . ALA C 3 189 ? 25.129 -22.548 -19.521 1.00 47.74 ? 192 ALA C O 1 ATOM 4433 C CB . ALA C 3 189 ? 25.791 -23.778 -16.543 1.00 43.06 ? 192 ALA C CB 1 ATOM 4434 N N . PHE C 3 190 ? 23.694 -21.914 -17.886 1.00 45.82 ? 193 PHE C N 1 ATOM 4435 C CA . PHE C 3 190 ? 22.555 -21.694 -18.758 1.00 46.28 ? 193 PHE C CA 1 ATOM 4436 C C . PHE C 3 190 ? 22.364 -20.204 -18.970 1.00 50.09 ? 193 PHE C C 1 ATOM 4437 O O . PHE C 3 190 ? 21.242 -19.736 -19.166 1.00 51.13 ? 193 PHE C O 1 ATOM 4438 C CB . PHE C 3 190 ? 21.302 -22.342 -18.163 1.00 43.48 ? 193 PHE C CB 1 ATOM 4439 C CG . PHE C 3 190 ? 21.403 -23.828 -18.032 1.00 40.16 ? 193 PHE C CG 1 ATOM 4440 C CD1 . PHE C 3 190 ? 21.954 -24.406 -16.896 1.00 38.67 ? 193 PHE C CD1 1 ATOM 4441 C CD2 . PHE C 3 190 ? 20.966 -24.658 -19.053 1.00 39.91 ? 193 PHE C CD2 1 ATOM 4442 C CE1 . PHE C 3 190 ? 22.060 -25.805 -16.775 1.00 36.45 ? 193 PHE C CE1 1 ATOM 4443 C CE2 . PHE C 3 190 ? 21.070 -26.056 -18.940 1.00 37.59 ? 193 PHE C CE2 1 ATOM 4444 C CZ . PHE C 3 190 ? 21.618 -26.621 -17.799 1.00 35.61 ? 193 PHE C CZ 1 ATOM 4445 N N . ASN C 3 191 ? 23.478 -19.473 -18.960 1.00 52.91 ? 194 ASN C N 1 ATOM 4446 C CA . ASN C 3 191 ? 23.464 -18.010 -19.022 1.00 57.49 ? 194 ASN C CA 1 ATOM 4447 C C . ASN C 3 191 ? 23.134 -17.451 -20.403 1.00 61.25 ? 194 ASN C C 1 ATOM 4448 O O . ASN C 3 191 ? 22.933 -16.241 -20.551 1.00 65.57 ? 194 ASN C O 1 ATOM 4449 C CB . ASN C 3 191 ? 24.786 -17.423 -18.497 1.00 59.94 ? 194 ASN C CB 1 ATOM 4450 C CG . ASN C 3 191 ? 25.945 -17.580 -19.485 0.70 62.37 ? 194 ASN C CG 1 ATOM 4451 O OD1 . ASN C 3 191 ? 26.446 -16.593 -20.037 0.70 66.66 ? 194 ASN C OD1 1 ATOM 4452 N ND2 . ASN C 3 191 ? 26.374 -18.822 -19.709 0.70 59.66 ? 194 ASN C ND2 1 ATOM 4453 N N . ASN C 3 192 ? 23.104 -18.328 -21.409 1.00 60.28 ? 195 ASN C N 1 ATOM 4454 C CA A ASN C 3 192 ? 22.725 -17.965 -22.774 0.50 63.89 ? 195 ASN C CA 1 ATOM 4455 C CA B ASN C 3 192 ? 22.714 -17.910 -22.754 0.50 63.99 ? 195 ASN C CA 1 ATOM 4456 C C . ASN C 3 192 ? 21.212 -18.064 -22.946 1.00 63.36 ? 195 ASN C C 1 ATOM 4457 O O . ASN C 3 192 ? 20.641 -17.530 -23.900 1.00 67.28 ? 195 ASN C O 1 ATOM 4458 C CB A ASN C 3 192 ? 23.423 -18.884 -23.779 0.50 63.61 ? 195 ASN C CB 1 ATOM 4459 C CB B ASN C 3 192 ? 23.491 -18.666 -23.833 0.50 64.40 ? 195 ASN C CB 1 ATOM 4460 C CG A ASN C 3 192 ? 24.925 -18.960 -23.562 0.50 64.12 ? 195 ASN C CG 1 ATOM 4461 C CG B ASN C 3 192 ? 23.495 -17.934 -25.167 0.50 69.86 ? 195 ASN C CG 1 ATOM 4462 O OD1 A ASN C 3 192 ? 25.489 -20.046 -23.422 0.50 60.93 ? 195 ASN C OD1 1 ATOM 4463 O OD1 B ASN C 3 192 ? 23.221 -16.735 -25.230 0.50 73.67 ? 195 ASN C OD1 1 ATOM 4464 N ND2 A ASN C 3 192 ? 25.579 -17.802 -23.529 0.50 68.46 ? 195 ASN C ND2 1 ATOM 4465 N ND2 B ASN C 3 192 ? 23.808 -18.653 -26.239 0.50 70.56 ? 195 ASN C ND2 1 ATOM 4466 N N . SER C 3 193 ? 20.581 -18.779 -22.016 1.00 59.02 ? 196 SER C N 1 ATOM 4467 C CA . SER C 3 193 ? 19.131 -18.914 -21.952 1.00 58.50 ? 196 SER C CA 1 ATOM 4468 C C . SER C 3 193 ? 18.620 -17.869 -20.971 1.00 60.00 ? 196 SER C C 1 ATOM 4469 O O . SER C 3 193 ? 19.402 -17.319 -20.191 1.00 60.22 ? 196 SER C O 1 ATOM 4470 C CB . SER C 3 193 ? 18.750 -20.314 -21.464 1.00 53.55 ? 196 SER C CB 1 ATOM 4471 O OG . SER C 3 193 ? 19.510 -21.310 -22.129 1.00 52.05 ? 196 SER C OG 1 ATOM 4472 N N . ILE C 3 194 ? 17.320 -17.586 -21.004 1.00 61.59 ? 197 ILE C N 1 ATOM 4473 C CA . ILE C 3 194 ? 16.732 -16.672 -20.023 1.00 63.31 ? 197 ILE C CA 1 ATOM 4474 C C . ILE C 3 194 ? 16.024 -17.444 -18.908 1.00 59.50 ? 197 ILE C C 1 ATOM 4475 O O . ILE C 3 194 ? 15.012 -18.113 -19.132 1.00 58.71 ? 197 ILE C O 1 ATOM 4476 C CB . ILE C 3 194 ? 15.840 -15.580 -20.678 1.00 69.11 ? 197 ILE C CB 1 ATOM 4477 C CG1 . ILE C 3 194 ? 16.704 -14.417 -21.169 1.00 73.89 ? 197 ILE C CG1 1 ATOM 4478 C CG2 . ILE C 3 194 ? 14.833 -15.025 -19.692 1.00 70.38 ? 197 ILE C CG2 1 ATOM 4479 C CD1 . ILE C 3 194 ? 17.321 -14.611 -22.543 1.00 75.88 ? 197 ILE C CD1 1 ATOM 4480 N N . ILE C 3 195 ? 16.596 -17.350 -17.710 1.00 57.77 ? 198 ILE C N 1 ATOM 4481 C CA . ILE C 3 195 ? 16.136 -18.097 -16.546 1.00 54.56 ? 198 ILE C CA 1 ATOM 4482 C C . ILE C 3 195 ? 15.125 -17.302 -15.706 1.00 57.26 ? 198 ILE C C 1 ATOM 4483 O O . ILE C 3 195 ? 15.154 -16.064 -15.697 1.00 61.38 ? 198 ILE C O 1 ATOM 4484 C CB . ILE C 3 195 ? 17.333 -18.524 -15.662 1.00 51.67 ? 198 ILE C CB 1 ATOM 4485 N N . PRO C 3 196 ? 14.211 -18.013 -15.010 1.00 55.58 ? 199 PRO C N 1 ATOM 4486 C CA . PRO C 3 196 ? 13.284 -17.381 -14.064 1.00 58.11 ? 199 PRO C CA 1 ATOM 4487 C C . PRO C 3 196 ? 14.011 -16.794 -12.855 1.00 58.54 ? 199 PRO C C 1 ATOM 4488 O O . PRO C 3 196 ? 15.099 -17.255 -12.507 1.00 55.85 ? 199 PRO C O 1 ATOM 4489 C CB . PRO C 3 196 ? 12.398 -18.549 -13.610 1.00 55.58 ? 199 PRO C CB 1 ATOM 4490 C CG . PRO C 3 196 ? 12.523 -19.569 -14.671 1.00 53.18 ? 199 PRO C CG 1 ATOM 4491 C CD . PRO C 3 196 ? 13.921 -19.449 -15.175 1.00 51.96 ? 199 PRO C CD 1 ATOM 4492 N N . GLU C 3 197 ? 13.412 -15.793 -12.216 1.00 62.54 ? 200 GLU C N 1 ATOM 4493 C CA . GLU C 3 197 ? 14.008 -15.182 -11.025 1.00 63.77 ? 200 GLU C CA 1 ATOM 4494 C C . GLU C 3 197 ? 14.143 -16.199 -9.882 1.00 60.17 ? 200 GLU C C 1 ATOM 4495 O O . GLU C 3 197 ? 15.245 -16.421 -9.366 1.00 58.46 ? 200 GLU C O 1 ATOM 4496 C CB . GLU C 3 197 ? 13.212 -13.947 -10.577 1.00 69.12 ? 200 GLU C CB 1 ATOM 4497 N N . ASP C 3 198 ? 13.033 -16.844 -9.526 1.00 59.51 ? 201 ASP C N 1 ATOM 4498 C CA . ASP C 3 198 ? 13.002 -17.760 -8.379 1.00 57.20 ? 201 ASP C CA 1 ATOM 4499 C C . ASP C 3 198 ? 13.746 -19.095 -8.589 1.00 52.52 ? 201 ASP C C 1 ATOM 4500 O O . ASP C 3 198 ? 13.524 -20.059 -7.851 1.00 50.82 ? 201 ASP C O 1 ATOM 4501 C CB . ASP C 3 198 ? 11.554 -17.970 -7.885 1.00 59.02 ? 201 ASP C CB 1 ATOM 4502 C CG . ASP C 3 198 ? 10.712 -18.801 -8.841 0.70 57.75 ? 201 ASP C CG 1 ATOM 4503 O OD1 . ASP C 3 198 ? 10.729 -20.042 -8.725 0.70 54.59 ? 201 ASP C OD1 1 ATOM 4504 O OD2 . ASP C 3 198 ? 10.009 -18.212 -9.688 0.70 60.56 ? 201 ASP C OD2 1 ATOM 4505 N N . THR C 3 199 ? 14.638 -19.140 -9.579 1.00 51.01 ? 202 THR C N 1 ATOM 4506 C CA . THR C 3 199 ? 15.425 -20.343 -9.859 1.00 47.23 ? 202 THR C CA 1 ATOM 4507 C C . THR C 3 199 ? 16.367 -20.619 -8.696 1.00 46.50 ? 202 THR C C 1 ATOM 4508 O O . THR C 3 199 ? 17.019 -19.712 -8.183 1.00 48.64 ? 202 THR C O 1 ATOM 4509 C CB . THR C 3 199 ? 16.234 -20.234 -11.180 1.00 46.59 ? 202 THR C CB 1 ATOM 4510 O OG1 . THR C 3 199 ? 15.431 -19.630 -12.198 1.00 48.45 ? 202 THR C OG1 1 ATOM 4511 C CG2 . THR C 3 199 ? 16.681 -21.616 -11.658 1.00 43.09 ? 202 THR C CG2 1 ATOM 4512 N N . PHE C 3 200 ? 16.422 -21.878 -8.282 1.00 44.31 ? 203 PHE C N 1 ATOM 4513 C CA . PHE C 3 200 ? 17.217 -22.278 -7.132 1.00 44.19 ? 203 PHE C CA 1 ATOM 4514 C C . PHE C 3 200 ? 18.628 -22.640 -7.572 1.00 43.11 ? 203 PHE C C 1 ATOM 4515 O O . PHE C 3 200 ? 18.824 -23.528 -8.404 1.00 41.26 ? 203 PHE C O 1 ATOM 4516 C CB . PHE C 3 200 ? 16.526 -23.443 -6.411 1.00 43.33 ? 203 PHE C CB 1 ATOM 4517 C CG . PHE C 3 200 ? 17.249 -23.932 -5.189 1.00 43.52 ? 203 PHE C CG 1 ATOM 4518 C CD1 . PHE C 3 200 ? 17.806 -23.038 -4.279 1.00 44.73 ? 203 PHE C CD1 1 ATOM 4519 C CD2 . PHE C 3 200 ? 17.345 -25.301 -4.932 1.00 42.12 ? 203 PHE C CD2 1 ATOM 4520 C CE1 . PHE C 3 200 ? 18.469 -23.502 -3.151 1.00 45.69 ? 203 PHE C CE1 1 ATOM 4521 C CE2 . PHE C 3 200 ? 17.999 -25.774 -3.796 1.00 42.35 ? 203 PHE C CE2 1 ATOM 4522 C CZ . PHE C 3 200 ? 18.564 -24.875 -2.912 1.00 44.58 ? 203 PHE C CZ 1 ATOM 4523 N N . PHE C 3 201 ? 19.605 -21.926 -7.029 1.00 45.02 ? 204 PHE C N 1 ATOM 4524 C CA . PHE C 3 201 ? 21.008 -22.184 -7.327 1.00 44.92 ? 204 PHE C CA 1 ATOM 4525 C C . PHE C 3 201 ? 21.744 -22.540 -6.039 1.00 46.27 ? 204 PHE C C 1 ATOM 4526 O O . PHE C 3 201 ? 22.299 -21.654 -5.378 1.00 48.81 ? 204 PHE C O 1 ATOM 4527 C CB . PHE C 3 201 ? 21.675 -20.960 -7.971 1.00 47.12 ? 204 PHE C CB 1 ATOM 4528 C CG . PHE C 3 201 ? 21.151 -20.614 -9.345 1.00 46.75 ? 204 PHE C CG 1 ATOM 4529 C CD1 . PHE C 3 201 ? 20.237 -19.570 -9.511 1.00 48.06 ? 204 PHE C CD1 1 ATOM 4530 C CD2 . PHE C 3 201 ? 21.591 -21.309 -10.472 1.00 44.93 ? 204 PHE C CD2 1 ATOM 4531 C CE1 . PHE C 3 201 ? 19.755 -19.233 -10.769 1.00 47.90 ? 204 PHE C CE1 1 ATOM 4532 C CE2 . PHE C 3 201 ? 21.116 -20.977 -11.740 1.00 44.87 ? 204 PHE C CE2 1 ATOM 4533 C CZ . PHE C 3 201 ? 20.195 -19.937 -11.886 1.00 46.83 ? 204 PHE C CZ 1 ATOM 4534 N N . PRO C 3 202 ? 21.753 -23.839 -5.681 1.00 45.10 ? 205 PRO C N 1 ATOM 4535 C CA . PRO C 3 202 ? 22.459 -24.305 -4.494 1.00 47.05 ? 205 PRO C CA 1 ATOM 4536 C C . PRO C 3 202 ? 23.958 -24.117 -4.664 1.00 48.76 ? 205 PRO C C 1 ATOM 4537 O O . PRO C 3 202 ? 24.472 -24.260 -5.779 1.00 47.72 ? 205 PRO C O 1 ATOM 4538 C CB . PRO C 3 202 ? 22.135 -25.804 -4.444 1.00 45.56 ? 205 PRO C CB 1 ATOM 4539 C CG . PRO C 3 202 ? 21.095 -26.044 -5.469 1.00 43.18 ? 205 PRO C CG 1 ATOM 4540 C CD . PRO C 3 202 ? 21.203 -24.956 -6.467 1.00 42.63 ? 205 PRO C CD 1 ATOM 4541 N N . SER C 3 203 ? 24.648 -23.794 -3.572 1.00 52.06 ? 206 SER C N 1 ATOM 4542 C CA . SER C 3 203 ? 26.095 -23.617 -3.596 1.00 54.53 ? 206 SER C CA 1 ATOM 4543 C C . SER C 3 203 ? 26.808 -24.963 -3.702 1.00 54.48 ? 206 SER C C 1 ATOM 4544 O O . SER C 3 203 ? 26.392 -25.933 -3.067 1.00 54.36 ? 206 SER C O 1 ATOM 4545 C CB . SER C 3 203 ? 26.558 -22.857 -2.360 1.00 58.55 ? 206 SER C CB 1 ATOM 4546 O OG . SER C 3 203 ? 26.024 -21.547 -2.372 1.00 59.84 ? 206 SER C OG 1 ATOM 4547 N N . PRO C 3 204 ? 27.883 -25.026 -4.514 1.00 55.19 ? 207 PRO C N 1 ATOM 4548 C CA . PRO C 3 204 ? 28.616 -26.269 -4.750 1.00 55.50 ? 207 PRO C CA 1 ATOM 4549 C C . PRO C 3 204 ? 29.581 -26.609 -3.614 1.00 59.67 ? 207 PRO C C 1 ATOM 4550 O O . PRO C 3 204 ? 29.208 -26.545 -2.444 1.00 61.33 ? 207 PRO C O 1 ATOM 4551 C CB . PRO C 3 204 ? 29.404 -25.958 -6.020 1.00 55.41 ? 207 PRO C CB 1 ATOM 4552 C CG . PRO C 3 204 ? 29.683 -24.496 -5.923 1.00 57.35 ? 207 PRO C CG 1 ATOM 4553 C CD . PRO C 3 204 ? 28.482 -23.890 -5.248 1.00 56.30 ? 207 PRO C CD 1 ATOM 4554 N N . VAL D 4 4 ? 5.150 -57.607 -40.251 1.00 77.28 ? 4 VAL D N 1 ATOM 4555 C CA . VAL D 4 4 ? 6.057 -56.970 -41.254 1.00 72.02 ? 4 VAL D CA 1 ATOM 4556 C C . VAL D 4 4 ? 7.385 -56.567 -40.595 1.00 71.14 ? 4 VAL D C 1 ATOM 4557 O O . VAL D 4 4 ? 7.555 -55.434 -40.133 1.00 69.13 ? 4 VAL D O 1 ATOM 4558 C CB . VAL D 4 4 ? 5.374 -55.763 -41.940 1.00 68.17 ? 4 VAL D CB 1 ATOM 4559 C CG1 . VAL D 4 4 ? 6.167 -55.307 -43.160 1.00 63.58 ? 4 VAL D CG1 1 ATOM 4560 C CG2 . VAL D 4 4 ? 3.946 -56.123 -42.337 1.00 70.30 ? 4 VAL D CG2 1 ATOM 4561 N N . THR D 4 5 ? 8.318 -57.517 -40.558 1.00 73.26 ? 5 THR D N 1 ATOM 4562 C CA . THR D 4 5 ? 9.596 -57.353 -39.869 1.00 73.75 ? 5 THR D CA 1 ATOM 4563 C C . THR D 4 5 ? 10.663 -56.816 -40.815 1.00 69.67 ? 5 THR D C 1 ATOM 4564 O O . THR D 4 5 ? 10.631 -57.090 -42.015 1.00 67.99 ? 5 THR D O 1 ATOM 4565 C CB . THR D 4 5 ? 10.094 -58.696 -39.277 1.00 79.20 ? 5 THR D CB 1 ATOM 4566 O OG1 . THR D 4 5 ? 8.978 -59.543 -38.976 1.00 83.26 ? 5 THR D OG1 1 ATOM 4567 C CG2 . THR D 4 5 ? 10.918 -58.465 -38.008 1.00 81.62 ? 5 THR D CG2 1 ATOM 4568 N N . GLN D 4 6 ? 11.603 -56.051 -40.266 1.00 68.77 ? 6 GLN D N 1 ATOM 4569 C CA . GLN D 4 6 ? 12.746 -55.544 -41.027 1.00 65.86 ? 6 GLN D CA 1 ATOM 4570 C C . GLN D 4 6 ? 14.058 -55.872 -40.320 1.00 68.50 ? 6 GLN D C 1 ATOM 4571 O O . GLN D 4 6 ? 14.182 -55.684 -39.105 1.00 70.92 ? 6 GLN D O 1 ATOM 4572 C CB . GLN D 4 6 ? 12.646 -54.028 -41.223 1.00 61.87 ? 6 GLN D CB 1 ATOM 4573 C CG . GLN D 4 6 ? 11.820 -53.583 -42.412 1.00 58.61 ? 6 GLN D CG 1 ATOM 4574 C CD . GLN D 4 6 ? 11.910 -52.081 -42.652 1.00 55.65 ? 6 GLN D CD 1 ATOM 4575 O OE1 . GLN D 4 6 ? 10.910 -51.370 -42.579 1.00 54.98 ? 6 GLN D OE1 1 ATOM 4576 N NE2 . GLN D 4 6 ? 13.114 -51.592 -42.933 1.00 54.30 ? 6 GLN D NE2 1 ATOM 4577 N N . SER D 4 7 ? 15.026 -56.370 -41.085 1.00 68.60 ? 7 SER D N 1 ATOM 4578 C CA . SER D 4 7 ? 16.386 -56.573 -40.586 1.00 70.97 ? 7 SER D CA 1 ATOM 4579 C C . SER D 4 7 ? 17.403 -56.245 -41.685 1.00 68.73 ? 7 SER D C 1 ATOM 4580 O O . SER D 4 7 ? 17.250 -56.696 -42.825 1.00 67.94 ? 7 SER D O 1 ATOM 4581 C CB . SER D 4 7 ? 16.585 -57.993 -40.039 1.00 76.45 ? 7 SER D CB 1 ATOM 4582 O OG . SER D 4 7 ? 16.568 -58.958 -41.075 1.00 77.57 ? 7 SER D OG 1 ATOM 4583 N N . PRO D 4 8 ? 18.445 -55.460 -41.347 1.00 68.21 ? 8 PRO D N 1 ATOM 4584 C CA . PRO D 4 8 ? 18.747 -54.989 -39.995 1.00 69.87 ? 8 PRO D CA 1 ATOM 4585 C C . PRO D 4 8 ? 17.941 -53.749 -39.614 1.00 66.85 ? 8 PRO D C 1 ATOM 4586 O O . PRO D 4 8 ? 17.342 -53.114 -40.484 1.00 63.20 ? 8 PRO D O 1 ATOM 4587 C CB . PRO D 4 8 ? 20.237 -54.650 -40.078 1.00 70.76 ? 8 PRO D CB 1 ATOM 4588 C CG . PRO D 4 8 ? 20.453 -54.249 -41.506 1.00 67.55 ? 8 PRO D CG 1 ATOM 4589 C CD . PRO D 4 8 ? 19.369 -54.888 -42.344 1.00 66.14 ? 8 PRO D CD 1 ATOM 4590 N N . ARG D 4 9 ? 17.919 -53.428 -38.322 1.00 68.87 ? 9 ARG D N 1 ATOM 4591 C CA . ARG D 4 9 ? 17.288 -52.202 -37.838 1.00 66.88 ? 9 ARG D CA 1 ATOM 4592 C C . ARG D 4 9 ? 18.245 -51.018 -37.994 1.00 65.07 ? 9 ARG D C 1 ATOM 4593 O O . ARG D 4 9 ? 17.824 -49.915 -38.344 1.00 62.25 ? 9 ARG D O 1 ATOM 4594 C CB . ARG D 4 9 ? 16.849 -52.358 -36.380 1.00 70.70 ? 9 ARG D CB 1 ATOM 4595 N N . ASN D 4 10 ? 19.528 -51.261 -37.732 1.00 67.15 ? 10 ASN D N 1 ATOM 4596 C CA . ASN D 4 10 ? 20.579 -50.262 -37.922 1.00 66.21 ? 10 ASN D CA 1 ATOM 4597 C C . ASN D 4 10 ? 21.731 -50.841 -38.727 1.00 66.79 ? 10 ASN D C 1 ATOM 4598 O O . ASN D 4 10 ? 22.015 -52.038 -38.636 1.00 69.45 ? 10 ASN D O 1 ATOM 4599 C CB . ASN D 4 10 ? 21.112 -49.761 -36.579 1.00 69.49 ? 10 ASN D CB 1 ATOM 4600 C CG . ASN D 4 10 ? 20.080 -48.986 -35.782 1.00 69.40 ? 10 ASN D CG 1 ATOM 4601 O OD1 . ASN D 4 10 ? 20.148 -47.758 -35.689 1.00 68.57 ? 10 ASN D OD1 1 ATOM 4602 N ND2 . ASN D 4 10 ? 19.123 -49.699 -35.191 1.00 70.93 ? 10 ASN D ND2 1 ATOM 4603 N N . LYS D 4 11 ? 22.390 -49.988 -39.512 1.00 64.84 ? 11 LYS D N 1 ATOM 4604 C CA . LYS D 4 11 ? 23.551 -50.396 -40.308 1.00 65.86 ? 11 LYS D CA 1 ATOM 4605 C C . LYS D 4 11 ? 24.503 -49.237 -40.598 1.00 65.65 ? 11 LYS D C 1 ATOM 4606 O O . LYS D 4 11 ? 24.083 -48.161 -41.037 1.00 63.03 ? 11 LYS D O 1 ATOM 4607 C CB . LYS D 4 11 ? 23.114 -51.055 -41.624 1.00 63.82 ? 11 LYS D CB 1 ATOM 4608 C CG . LYS D 4 11 ? 24.224 -51.813 -42.360 1.00 66.28 ? 11 LYS D CG 1 ATOM 4609 C CD . LYS D 4 11 ? 24.524 -53.162 -41.704 1.00 70.44 ? 11 LYS D CD 1 ATOM 4610 C CE . LYS D 4 11 ? 25.457 -54.022 -42.551 1.00 73.11 ? 11 LYS D CE 1 ATOM 4611 N NZ . LYS D 4 11 ? 26.885 -53.615 -42.444 1.00 75.78 ? 11 LYS D NZ 1 ATOM 4612 N N . VAL D 4 12 ? 25.787 -49.472 -40.341 1.00 68.93 ? 12 VAL D N 1 ATOM 4613 C CA . VAL D 4 12 ? 26.841 -48.550 -40.744 1.00 69.53 ? 12 VAL D CA 1 ATOM 4614 C C . VAL D 4 12 ? 27.636 -49.191 -41.885 1.00 70.60 ? 12 VAL D C 1 ATOM 4615 O O . VAL D 4 12 ? 28.238 -50.255 -41.715 1.00 73.72 ? 12 VAL D O 1 ATOM 4616 C CB . VAL D 4 12 ? 27.766 -48.176 -39.564 1.00 73.39 ? 12 VAL D CB 1 ATOM 4617 C CG1 . VAL D 4 12 ? 28.807 -47.154 -39.999 1.00 74.59 ? 12 VAL D CG1 1 ATOM 4618 C CG2 . VAL D 4 12 ? 26.950 -47.629 -38.404 1.00 72.94 ? 12 VAL D CG2 1 ATOM 4619 N N . ALA D 4 13 ? 27.618 -48.536 -43.044 1.00 68.34 ? 13 ALA D N 1 ATOM 4620 C CA . ALA D 4 13 ? 28.245 -49.059 -44.254 1.00 69.42 ? 13 ALA D CA 1 ATOM 4621 C C . ALA D 4 13 ? 29.349 -48.144 -44.777 1.00 71.43 ? 13 ALA D C 1 ATOM 4622 O O . ALA D 4 13 ? 29.374 -46.950 -44.470 1.00 70.95 ? 13 ALA D O 1 ATOM 4623 C CB . ALA D 4 13 ? 27.194 -49.280 -45.326 1.00 66.04 ? 13 ALA D CB 1 ATOM 4624 N N . VAL D 4 14 ? 30.255 -48.718 -45.568 1.00 74.25 ? 14 VAL D N 1 ATOM 4625 C CA . VAL D 4 14 ? 31.351 -47.982 -46.200 1.00 76.96 ? 14 VAL D CA 1 ATOM 4626 C C . VAL D 4 14 ? 30.973 -47.653 -47.641 1.00 75.17 ? 14 VAL D C 1 ATOM 4627 O O . VAL D 4 14 ? 30.091 -48.296 -48.209 1.00 72.87 ? 14 VAL D O 1 ATOM 4628 C CB . VAL D 4 14 ? 32.642 -48.826 -46.243 1.00 82.40 ? 14 VAL D CB 1 ATOM 4629 C CG1 . VAL D 4 14 ? 33.855 -47.947 -46.001 1.00 86.39 ? 14 VAL D CG1 1 ATOM 4630 C CG2 . VAL D 4 14 ? 32.593 -49.955 -45.223 1.00 83.91 ? 14 VAL D CG2 1 ATOM 4631 N N . THR D 4 15 ? 31.635 -46.659 -48.232 1.00 76.85 ? 15 THR D N 1 ATOM 4632 C CA . THR D 4 15 ? 31.464 -46.370 -49.658 1.00 76.47 ? 15 THR D CA 1 ATOM 4633 C C . THR D 4 15 ? 31.962 -47.563 -50.464 1.00 79.27 ? 15 THR D C 1 ATOM 4634 O O . THR D 4 15 ? 33.045 -48.089 -50.201 1.00 83.56 ? 15 THR D O 1 ATOM 4635 C CB . THR D 4 15 ? 32.220 -45.091 -50.098 1.00 79.27 ? 15 THR D CB 1 ATOM 4636 O OG1 . THR D 4 15 ? 31.878 -44.004 -49.233 1.00 77.75 ? 15 THR D OG1 1 ATOM 4637 C CG2 . THR D 4 15 ? 31.859 -44.705 -51.529 1.00 78.88 ? 15 THR D CG2 1 ATOM 4638 N N . GLY D 4 16 ? 31.154 -47.997 -51.426 1.00 77.28 ? 16 GLY D N 1 ATOM 4639 C CA . GLY D 4 16 ? 31.514 -49.106 -52.302 1.00 80.28 ? 16 GLY D CA 1 ATOM 4640 C C . GLY D 4 16 ? 31.318 -50.483 -51.691 1.00 80.47 ? 16 GLY D C 1 ATOM 4641 O O . GLY D 4 16 ? 31.823 -51.474 -52.225 1.00 84.05 ? 16 GLY D O 1 ATOM 4642 N N . GLY D 4 17 ? 30.583 -50.545 -50.580 1.00 77.11 ? 17 GLY D N 1 ATOM 4643 C CA . GLY D 4 17 ? 30.292 -51.808 -49.899 1.00 77.61 ? 17 GLY D CA 1 ATOM 4644 C C . GLY D 4 17 ? 28.908 -52.340 -50.221 1.00 74.07 ? 17 GLY D C 1 ATOM 4645 O O . GLY D 4 17 ? 27.964 -51.562 -50.373 1.00 69.90 ? 17 GLY D O 1 ATOM 4646 N N . LYS D 4 18 ? 28.790 -53.666 -50.319 1.00 76.27 ? 18 LYS D N 1 ATOM 4647 C CA . LYS D 4 18 ? 27.523 -54.329 -50.667 1.00 73.95 ? 18 LYS D CA 1 ATOM 4648 C C . LYS D 4 18 ? 26.606 -54.501 -49.453 1.00 71.41 ? 18 LYS D C 1 ATOM 4649 O O . LYS D 4 18 ? 26.971 -55.148 -48.469 1.00 73.97 ? 18 LYS D O 1 ATOM 4650 C CB . LYS D 4 18 ? 27.779 -55.681 -51.348 1.00 78.04 ? 18 LYS D CB 1 ATOM 4651 C CG . LYS D 4 18 ? 26.542 -56.319 -51.982 1.00 76.26 ? 18 LYS D CG 1 ATOM 4652 N N . VAL D 4 19 ? 25.413 -53.916 -49.541 1.00 67.04 ? 19 VAL D N 1 ATOM 4653 C CA . VAL D 4 19 ? 24.457 -53.914 -48.435 1.00 64.65 ? 19 VAL D CA 1 ATOM 4654 C C . VAL D 4 19 ? 23.078 -54.411 -48.875 1.00 62.54 ? 19 VAL D C 1 ATOM 4655 O O . VAL D 4 19 ? 22.520 -53.945 -49.871 1.00 60.41 ? 19 VAL D O 1 ATOM 4656 C CB . VAL D 4 19 ? 24.355 -52.511 -47.785 1.00 61.79 ? 19 VAL D CB 1 ATOM 4657 C CG1 . VAL D 4 19 ? 23.149 -52.416 -46.864 1.00 59.46 ? 19 VAL D CG1 1 ATOM 4658 C CG2 . VAL D 4 19 ? 25.623 -52.194 -47.014 1.00 64.57 ? 19 VAL D CG2 1 ATOM 4659 N N . THR D 4 20 ? 22.550 -55.371 -48.123 1.00 63.82 ? 20 THR D N 1 ATOM 4660 C CA . THR D 4 20 ? 21.211 -55.894 -48.342 1.00 62.59 ? 20 THR D CA 1 ATOM 4661 C C . THR D 4 20 ? 20.326 -55.502 -47.164 1.00 60.76 ? 20 THR D C 1 ATOM 4662 O O . THR D 4 20 ? 20.725 -55.645 -46.005 1.00 62.56 ? 20 THR D O 1 ATOM 4663 C CB . THR D 4 20 ? 21.221 -57.440 -48.488 1.00 66.67 ? 20 THR D CB 1 ATOM 4664 O OG1 . THR D 4 20 ? 22.170 -57.828 -49.489 1.00 69.30 ? 20 THR D OG1 1 ATOM 4665 C CG2 . THR D 4 20 ? 19.844 -57.965 -48.880 1.00 65.76 ? 20 THR D CG2 1 ATOM 4666 N N . LEU D 4 21 ? 19.135 -54.991 -47.466 1.00 57.74 ? 21 LEU D N 1 ATOM 4667 C CA . LEU D 4 21 ? 18.121 -54.748 -46.448 1.00 56.66 ? 21 LEU D CA 1 ATOM 4668 C C . LEU D 4 21 ? 16.971 -55.712 -46.682 1.00 57.60 ? 21 LEU D C 1 ATOM 4669 O O . LEU D 4 21 ? 16.276 -55.619 -47.692 1.00 56.11 ? 21 LEU D O 1 ATOM 4670 C CB . LEU D 4 21 ? 17.625 -53.301 -46.492 1.00 53.03 ? 21 LEU D CB 1 ATOM 4671 C CG . LEU D 4 21 ? 18.655 -52.171 -46.406 1.00 52.53 ? 21 LEU D CG 1 ATOM 4672 C CD1 . LEU D 4 21 ? 17.986 -50.814 -46.605 1.00 49.60 ? 21 LEU D CD1 1 ATOM 4673 C CD2 . LEU D 4 21 ? 19.427 -52.201 -45.087 1.00 54.98 ? 21 LEU D CD2 1 ATOM 4674 N N . SER D 4 22 ? 16.790 -56.650 -45.756 1.00 60.77 ? 22 SER D N 1 ATOM 4675 C CA . SER D 4 22 ? 15.728 -57.647 -45.862 1.00 62.67 ? 22 SER D CA 1 ATOM 4676 C C . SER D 4 22 ? 14.379 -57.101 -45.389 1.00 60.84 ? 22 SER D C 1 ATOM 4677 O O . SER D 4 22 ? 14.318 -56.099 -44.672 1.00 59.13 ? 22 SER D O 1 ATOM 4678 C CB . SER D 4 22 ? 16.099 -58.915 -45.085 1.00 67.74 ? 22 SER D CB 1 ATOM 4679 N N . CYS D 4 23 ? 13.305 -57.762 -45.815 1.00 61.82 ? 23 CYS D N 1 ATOM 4680 C CA . CYS D 4 23 ? 11.947 -57.452 -45.373 1.00 61.20 ? 23 CYS D CA 1 ATOM 4681 C C . CYS D 4 23 ? 11.083 -58.709 -45.444 1.00 64.72 ? 23 CYS D C 1 ATOM 4682 O O . CYS D 4 23 ? 10.954 -59.320 -46.504 1.00 65.35 ? 23 CYS D O 1 ATOM 4683 C CB . CYS D 4 23 ? 11.335 -56.332 -46.215 1.00 57.23 ? 23 CYS D CB 1 ATOM 4684 S SG . CYS D 4 23 ? 9.639 -55.937 -45.756 1.00 57.74 ? 23 CYS D SG 1 ATOM 4685 N N . ASN D 4 24 ? 10.498 -59.083 -44.310 1.00 67.51 ? 24 ASN D N 1 ATOM 4686 C CA . ASN D 4 24 ? 9.728 -60.315 -44.197 1.00 72.03 ? 24 ASN D CA 1 ATOM 4687 C C . ASN D 4 24 ? 8.332 -60.063 -43.636 1.00 72.84 ? 24 ASN D C 1 ATOM 4688 O O . ASN D 4 24 ? 8.182 -59.415 -42.600 1.00 72.80 ? 24 ASN D O 1 ATOM 4689 C CB . ASN D 4 24 ? 10.483 -61.323 -43.320 1.00 76.98 ? 24 ASN D CB 1 ATOM 4690 C CG . ASN D 4 24 ? 9.806 -62.687 -43.264 1.00 82.59 ? 24 ASN D CG 1 ATOM 4691 O OD1 . ASN D 4 24 ? 9.471 -63.182 -42.188 1.00 86.74 ? 24 ASN D OD1 1 ATOM 4692 N ND2 . ASN D 4 24 ? 9.607 -63.299 -44.424 1.00 83.08 ? 24 ASN D ND2 1 ATOM 4693 N N . GLN D 4 25 ? 7.315 -60.574 -44.326 1.00 74.15 ? 25 GLN D N 1 ATOM 4694 C CA . GLN D 4 25 ? 5.930 -60.453 -43.864 1.00 75.81 ? 25 GLN D CA 1 ATOM 4695 C C . GLN D 4 25 ? 5.130 -61.740 -44.041 1.00 81.01 ? 25 GLN D C 1 ATOM 4696 O O . GLN D 4 25 ? 5.282 -62.449 -45.040 1.00 81.77 ? 25 GLN D O 1 ATOM 4697 C CB . GLN D 4 25 ? 5.218 -59.267 -44.532 1.00 71.49 ? 25 GLN D CB 1 ATOM 4698 C CG . GLN D 4 25 ? 5.358 -59.183 -46.050 1.00 69.05 ? 25 GLN D CG 1 ATOM 4699 C CD . GLN D 4 25 ? 4.359 -60.046 -46.803 1.00 72.58 ? 25 GLN D CD 1 ATOM 4700 O OE1 . GLN D 4 25 ? 3.237 -60.270 -46.343 1.00 75.79 ? 25 GLN D OE1 1 ATOM 4701 N NE2 . GLN D 4 25 ? 4.762 -60.528 -47.976 1.00 72.56 ? 25 GLN D NE2 1 ATOM 4702 N N . THR D 4 26 ? 4.286 -62.032 -43.054 1.00 85.08 ? 26 THR D N 1 ATOM 4703 C CA . THR D 4 26 ? 3.435 -63.220 -43.072 1.00 90.94 ? 26 THR D CA 1 ATOM 4704 C C . THR D 4 26 ? 1.963 -62.818 -43.051 1.00 91.70 ? 26 THR D C 1 ATOM 4705 O O . THR D 4 26 ? 1.249 -63.058 -42.074 1.00 96.19 ? 26 THR D O 1 ATOM 4706 C CB . THR D 4 26 ? 3.741 -64.172 -41.889 1.00 97.25 ? 26 THR D CB 1 ATOM 4707 O OG1 . THR D 4 26 ? 3.648 -63.454 -40.652 1.00 97.27 ? 26 THR D OG1 1 ATOM 4708 C CG2 . THR D 4 26 ? 5.133 -64.777 -42.023 1.00 97.84 ? 26 THR D CG2 1 ATOM 4709 N N . ASN D 4 27 ? 1.524 -62.189 -44.138 1.00 87.78 ? 27 ASN D N 1 ATOM 4710 C CA . ASN D 4 27 ? 0.137 -61.752 -44.286 1.00 88.52 ? 27 ASN D CA 1 ATOM 4711 C C . ASN D 4 27 ? -0.481 -62.283 -45.569 1.00 89.49 ? 27 ASN D C 1 ATOM 4712 O O . ASN D 4 27 ? -1.679 -62.109 -45.806 1.00 91.13 ? 27 ASN D O 1 ATOM 4713 C CB . ASN D 4 27 ? 0.036 -60.224 -44.260 1.00 83.27 ? 27 ASN D CB 1 ATOM 4714 C CG . ASN D 4 27 ? 0.682 -59.617 -43.039 1.00 82.10 ? 27 ASN D CG 1 ATOM 4715 O OD1 . ASN D 4 27 ? 1.904 -59.521 -42.956 1.00 79.67 ? 27 ASN D OD1 1 ATOM 4716 N ND2 . ASN D 4 27 ? -0.137 -59.192 -42.086 1.00 84.30 ? 27 ASN D ND2 1 ATOM 4717 N N . ASN D 4 28 ? 0.351 -62.924 -46.390 1.00 88.98 ? 28 ASN D N 1 ATOM 4718 C CA . ASN D 4 28 ? -0.065 -63.513 -47.664 1.00 90.49 ? 28 ASN D CA 1 ATOM 4719 C C . ASN D 4 28 ? -0.312 -62.453 -48.745 1.00 85.66 ? 28 ASN D C 1 ATOM 4720 O O . ASN D 4 28 ? -1.070 -62.677 -49.692 1.00 87.16 ? 28 ASN D O 1 ATOM 4721 C CB . ASN D 4 28 ? -1.293 -64.426 -47.471 1.00 97.08 ? 28 ASN D CB 1 ATOM 4722 C CG . ASN D 4 28 ? -1.368 -65.540 -48.499 1.00 100.65 ? 28 ASN D CG 1 ATOM 4723 O OD1 . ASN D 4 28 ? -0.348 -66.013 -49.001 1.00 100.00 ? 28 ASN D OD1 1 ATOM 4724 N ND2 . ASN D 4 28 ? -2.585 -65.972 -48.809 1.00 104.89 ? 28 ASN D ND2 1 ATOM 4725 N N . HIS D 4 29 ? 0.345 -61.302 -48.602 1.00 80.49 ? 29 HIS D N 1 ATOM 4726 C CA . HIS D 4 29 ? 0.204 -60.202 -49.557 1.00 76.27 ? 29 HIS D CA 1 ATOM 4727 C C . HIS D 4 29 ? 1.059 -60.401 -50.801 1.00 74.53 ? 29 HIS D C 1 ATOM 4728 O O . HIS D 4 29 ? 2.203 -60.852 -50.717 1.00 74.24 ? 29 HIS D O 1 ATOM 4729 C CB . HIS D 4 29 ? 0.553 -58.863 -48.903 1.00 72.10 ? 29 HIS D CB 1 ATOM 4730 C CG . HIS D 4 29 ? -0.475 -58.377 -47.930 1.00 73.91 ? 29 HIS D CG 1 ATOM 4731 N ND1 . HIS D 4 29 ? -0.147 -57.887 -46.686 1.00 73.65 ? 29 HIS D ND1 1 ATOM 4732 C CD2 . HIS D 4 29 ? -1.824 -58.303 -48.019 1.00 76.93 ? 29 HIS D CD2 1 ATOM 4733 C CE1 . HIS D 4 29 ? -1.248 -57.530 -46.050 1.00 76.10 ? 29 HIS D CE1 1 ATOM 4734 N NE2 . HIS D 4 29 ? -2.280 -57.775 -46.836 1.00 78.12 ? 29 HIS D NE2 1 ATOM 4735 N N . ASN D 4 30 ? 0.496 -60.053 -51.954 1.00 73.97 ? 30 ASN D N 1 ATOM 4736 C CA . ASN D 4 30 ? 1.209 -60.150 -53.223 1.00 72.95 ? 30 ASN D CA 1 ATOM 4737 C C . ASN D 4 30 ? 2.098 -58.937 -53.508 1.00 68.15 ? 30 ASN D C 1 ATOM 4738 O O . ASN D 4 30 ? 3.161 -59.074 -54.113 1.00 67.31 ? 30 ASN D O 1 ATOM 4739 C CB . ASN D 4 30 ? 0.227 -60.378 -54.381 1.00 75.33 ? 30 ASN D CB 1 ATOM 4740 C CG . ASN D 4 30 ? -0.294 -61.813 -54.448 0.70 80.85 ? 30 ASN D CG 1 ATOM 4741 O OD1 . ASN D 4 30 ? 0.179 -62.704 -53.741 0.70 82.81 ? 30 ASN D OD1 1 ATOM 4742 N ND2 . ASN D 4 30 ? -1.274 -62.037 -55.314 0.70 83.52 ? 30 ASN D ND2 1 ATOM 4743 N N . ASN D 4 31 ? 1.663 -57.757 -53.073 1.00 65.73 ? 31 ASN D N 1 ATOM 4744 C CA . ASN D 4 31 ? 2.395 -56.519 -53.344 1.00 61.83 ? 31 ASN D CA 1 ATOM 4745 C C . ASN D 4 31 ? 3.304 -56.097 -52.197 1.00 59.73 ? 31 ASN D C 1 ATOM 4746 O O . ASN D 4 31 ? 2.885 -56.094 -51.040 1.00 60.78 ? 31 ASN D O 1 ATOM 4747 C CB . ASN D 4 31 ? 1.427 -55.375 -53.682 1.00 60.93 ? 31 ASN D CB 1 ATOM 4748 C CG . ASN D 4 31 ? 0.617 -55.637 -54.943 0.70 63.14 ? 31 ASN D CG 1 ATOM 4749 O OD1 . ASN D 4 31 ? 0.957 -56.500 -55.751 0.70 64.48 ? 31 ASN D OD1 1 ATOM 4750 N ND2 . ASN D 4 31 ? -0.460 -54.881 -55.115 0.70 63.81 ? 31 ASN D ND2 1 ATOM 4751 N N . MET D 4 32 ? 4.546 -55.743 -52.523 1.00 57.44 ? 32 MET D N 1 ATOM 4752 C CA . MET D 4 32 ? 5.500 -55.230 -51.534 1.00 55.38 ? 32 MET D CA 1 ATOM 4753 C C . MET D 4 32 ? 6.283 -54.044 -52.087 1.00 52.37 ? 32 MET D C 1 ATOM 4754 O O . MET D 4 32 ? 6.528 -53.962 -53.295 1.00 52.34 ? 32 MET D O 1 ATOM 4755 C CB . MET D 4 32 ? 6.456 -56.327 -51.060 1.00 56.99 ? 32 MET D CB 1 ATOM 4756 C CG . MET D 4 32 ? 5.814 -57.343 -50.129 1.00 60.47 ? 32 MET D CG 1 ATOM 4757 S SD . MET D 4 32 ? 6.987 -58.523 -49.439 1.00 63.65 ? 32 MET D SD 1 ATOM 4758 C CE . MET D 4 32 ? 7.792 -57.519 -48.196 1.00 60.40 ? 32 MET D CE 1 ATOM 4759 N N . TYR D 4 33 ? 6.673 -53.134 -51.194 1.00 50.38 ? 33 TYR D N 1 ATOM 4760 C CA . TYR D 4 33 ? 7.276 -51.855 -51.579 1.00 47.83 ? 33 TYR D CA 1 ATOM 4761 C C . TYR D 4 33 ? 8.552 -51.554 -50.786 1.00 46.64 ? 33 TYR D C 1 ATOM 4762 O O . TYR D 4 33 ? 8.727 -52.043 -49.666 1.00 47.62 ? 33 TYR D O 1 ATOM 4763 C CB . TYR D 4 33 ? 6.264 -50.718 -51.379 1.00 47.24 ? 33 TYR D CB 1 ATOM 4764 C CG . TYR D 4 33 ? 4.939 -50.921 -52.088 1.00 48.71 ? 33 TYR D CG 1 ATOM 4765 C CD1 . TYR D 4 33 ? 3.958 -51.754 -51.553 1.00 50.57 ? 33 TYR D CD1 1 ATOM 4766 C CD2 . TYR D 4 33 ? 4.663 -50.271 -53.290 1.00 48.84 ? 33 TYR D CD2 1 ATOM 4767 C CE1 . TYR D 4 33 ? 2.745 -51.945 -52.203 1.00 52.59 ? 33 TYR D CE1 1 ATOM 4768 C CE2 . TYR D 4 33 ? 3.448 -50.455 -53.948 1.00 50.40 ? 33 TYR D CE2 1 ATOM 4769 C CZ . TYR D 4 33 ? 2.496 -51.293 -53.397 1.00 52.32 ? 33 TYR D CZ 1 ATOM 4770 O OH . TYR D 4 33 ? 1.295 -51.487 -54.038 1.00 54.75 ? 33 TYR D OH 1 ATOM 4771 N N . TRP D 4 34 ? 9.440 -50.756 -51.376 1.00 45.08 ? 34 TRP D N 1 ATOM 4772 C CA . TRP D 4 34 ? 10.612 -50.233 -50.670 1.00 44.03 ? 34 TRP D CA 1 ATOM 4773 C C . TRP D 4 34 ? 10.705 -48.714 -50.811 1.00 42.60 ? 34 TRP D C 1 ATOM 4774 O O . TRP D 4 34 ? 10.975 -48.198 -51.898 1.00 42.56 ? 34 TRP D O 1 ATOM 4775 C CB . TRP D 4 34 ? 11.902 -50.890 -51.172 1.00 44.81 ? 34 TRP D CB 1 ATOM 4776 C CG . TRP D 4 34 ? 12.360 -52.062 -50.359 1.00 46.44 ? 34 TRP D CG 1 ATOM 4777 C CD1 . TRP D 4 34 ? 12.426 -53.361 -50.766 1.00 48.58 ? 34 TRP D CD1 1 ATOM 4778 C CD2 . TRP D 4 34 ? 12.830 -52.042 -49.004 1.00 47.04 ? 34 TRP D CD2 1 ATOM 4779 N NE1 . TRP D 4 34 ? 12.899 -54.156 -49.750 1.00 50.24 ? 34 TRP D NE1 1 ATOM 4780 C CE2 . TRP D 4 34 ? 13.154 -53.372 -48.656 1.00 49.35 ? 34 TRP D CE2 1 ATOM 4781 C CE3 . TRP D 4 34 ? 13.003 -51.030 -48.047 1.00 46.54 ? 34 TRP D CE3 1 ATOM 4782 C CZ2 . TRP D 4 34 ? 13.641 -53.719 -47.392 1.00 50.92 ? 34 TRP D CZ2 1 ATOM 4783 C CZ3 . TRP D 4 34 ? 13.489 -51.375 -46.787 1.00 47.67 ? 34 TRP D CZ3 1 ATOM 4784 C CH2 . TRP D 4 34 ? 13.803 -52.711 -46.474 1.00 50.21 ? 34 TRP D CH2 1 ATOM 4785 N N . TYR D 4 35 ? 10.469 -48.006 -49.709 1.00 42.10 ? 35 TYR D N 1 ATOM 4786 C CA . TYR D 4 35 ? 10.548 -46.538 -49.684 1.00 41.34 ? 35 TYR D CA 1 ATOM 4787 C C . TYR D 4 35 ? 11.781 -46.077 -48.922 1.00 41.09 ? 35 TYR D C 1 ATOM 4788 O O . TYR D 4 35 ? 12.404 -46.857 -48.196 1.00 41.36 ? 35 TYR D O 1 ATOM 4789 C CB . TYR D 4 35 ? 9.316 -45.912 -49.016 1.00 41.65 ? 35 TYR D CB 1 ATOM 4790 C CG . TYR D 4 35 ? 7.982 -46.293 -49.602 1.00 42.13 ? 35 TYR D CG 1 ATOM 4791 C CD1 . TYR D 4 35 ? 7.292 -47.408 -49.137 1.00 43.12 ? 35 TYR D CD1 1 ATOM 4792 C CD2 . TYR D 4 35 ? 7.393 -45.522 -50.601 1.00 42.74 ? 35 TYR D CD2 1 ATOM 4793 C CE1 . TYR D 4 35 ? 6.058 -47.759 -49.662 1.00 44.67 ? 35 TYR D CE1 1 ATOM 4794 C CE2 . TYR D 4 35 ? 6.152 -45.864 -51.138 1.00 44.02 ? 35 TYR D CE2 1 ATOM 4795 C CZ . TYR D 4 35 ? 5.492 -46.986 -50.662 1.00 44.91 ? 35 TYR D CZ 1 ATOM 4796 O OH . TYR D 4 35 ? 4.268 -47.340 -51.180 1.00 46.53 ? 35 TYR D OH 1 ATOM 4797 N N . ARG D 4 36 ? 12.121 -44.802 -49.085 1.00 41.01 ? 36 ARG D N 1 ATOM 4798 C CA . ARG D 4 36 ? 13.117 -44.176 -48.232 1.00 41.49 ? 36 ARG D CA 1 ATOM 4799 C C . ARG D 4 36 ? 12.677 -42.787 -47.768 1.00 42.20 ? 36 ARG D C 1 ATOM 4800 O O . ARG D 4 36 ? 12.100 -42.014 -48.537 1.00 42.61 ? 36 ARG D O 1 ATOM 4801 C CB . ARG D 4 36 ? 14.477 -44.148 -48.924 1.00 41.99 ? 36 ARG D CB 1 ATOM 4802 C CG . ARG D 4 36 ? 14.831 -42.889 -49.676 1.00 43.18 ? 36 ARG D CG 1 ATOM 4803 C CD . ARG D 4 36 ? 16.267 -42.985 -50.137 1.00 44.88 ? 36 ARG D CD 1 ATOM 4804 N NE . ARG D 4 36 ? 17.026 -41.789 -49.803 1.00 46.73 ? 36 ARG D NE 1 ATOM 4805 C CZ . ARG D 4 36 ? 18.242 -41.522 -50.265 1.00 48.98 ? 36 ARG D CZ 1 ATOM 4806 N NH1 . ARG D 4 36 ? 18.841 -42.366 -51.096 1.00 49.28 ? 36 ARG D NH1 1 ATOM 4807 N NH2 . ARG D 4 36 ? 18.855 -40.402 -49.904 1.00 51.14 ? 36 ARG D NH2 1 ATOM 4808 N N . GLN D 4 37 ? 12.945 -42.485 -46.501 1.00 42.96 ? 37 GLN D N 1 ATOM 4809 C CA . GLN D 4 37 ? 12.551 -41.209 -45.907 1.00 44.25 ? 37 GLN D CA 1 ATOM 4810 C C . GLN D 4 37 ? 13.742 -40.293 -45.696 1.00 45.53 ? 37 GLN D C 1 ATOM 4811 O O . GLN D 4 37 ? 14.760 -40.702 -45.140 1.00 45.85 ? 37 GLN D O 1 ATOM 4812 C CB . GLN D 4 37 ? 11.831 -41.428 -44.578 1.00 45.05 ? 37 GLN D CB 1 ATOM 4813 C CG . GLN D 4 37 ? 10.991 -40.245 -44.137 1.00 46.70 ? 37 GLN D CG 1 ATOM 4814 C CD . GLN D 4 37 ? 10.156 -40.543 -42.916 1.00 47.90 ? 37 GLN D CD 1 ATOM 4815 O OE1 . GLN D 4 37 ? 10.561 -41.308 -42.043 1.00 48.29 ? 37 GLN D OE1 1 ATOM 4816 N NE2 . GLN D 4 37 ? 8.981 -39.933 -42.843 1.00 49.48 ? 37 GLN D NE2 1 ATOM 4817 N N . ASP D 4 38 ? 13.595 -39.051 -46.146 1.00 46.95 ? 38 ASP D N 1 ATOM 4818 C CA . ASP D 4 38 ? 14.609 -38.018 -45.963 1.00 49.00 ? 38 ASP D CA 1 ATOM 4819 C C . ASP D 4 38 ? 13.938 -36.730 -45.526 1.00 51.32 ? 38 ASP D C 1 ATOM 4820 O O . ASP D 4 38 ? 12.912 -36.347 -46.090 1.00 51.73 ? 38 ASP D O 1 ATOM 4821 C CB . ASP D 4 38 ? 15.379 -37.797 -47.263 1.00 49.34 ? 38 ASP D CB 1 ATOM 4822 C CG . ASP D 4 38 ? 16.185 -39.017 -47.676 1.00 48.26 ? 38 ASP D CG 1 ATOM 4823 O OD1 . ASP D 4 38 ? 17.197 -39.318 -47.008 1.00 48.98 ? 38 ASP D OD1 1 ATOM 4824 O OD2 . ASP D 4 38 ? 15.808 -39.673 -48.671 1.00 47.72 ? 38 ASP D OD2 1 ATOM 4825 N N . THR D 4 39 ? 14.511 -36.067 -44.521 1.00 53.41 ? 39 THR D N 1 ATOM 4826 C CA . THR D 4 39 ? 13.950 -34.812 -44.008 1.00 56.33 ? 39 THR D CA 1 ATOM 4827 C C . THR D 4 39 ? 13.678 -33.820 -45.133 1.00 57.95 ? 39 THR D C 1 ATOM 4828 O O . THR D 4 39 ? 14.544 -33.569 -45.976 1.00 58.25 ? 39 THR D O 1 ATOM 4829 C CB . THR D 4 39 ? 14.852 -34.139 -42.955 1.00 59.10 ? 39 THR D CB 1 ATOM 4830 O OG1 . THR D 4 39 ? 16.223 -34.279 -43.339 1.00 58.89 ? 39 THR D OG1 1 ATOM 4831 C CG2 . THR D 4 39 ? 14.637 -34.758 -41.578 1.00 59.03 ? 39 THR D CG2 1 ATOM 4832 N N . GLY D 4 40 ? 12.457 -33.287 -45.140 1.00 59.35 ? 40 GLY D N 1 ATOM 4833 C CA . GLY D 4 40 ? 12.030 -32.298 -46.125 1.00 61.71 ? 40 GLY D CA 1 ATOM 4834 C C . GLY D 4 40 ? 11.278 -32.885 -47.304 1.00 59.73 ? 40 GLY D C 1 ATOM 4835 O O . GLY D 4 40 ? 10.762 -32.141 -48.141 1.00 62.03 ? 40 GLY D O 1 ATOM 4836 N N . HIS D 4 41 ? 11.199 -34.214 -47.366 1.00 55.93 ? 41 HIS D N 1 ATOM 4837 C CA . HIS D 4 41 ? 10.637 -34.886 -48.536 1.00 54.19 ? 41 HIS D CA 1 ATOM 4838 C C . HIS D 4 41 ? 9.314 -35.609 -48.317 1.00 52.94 ? 41 HIS D C 1 ATOM 4839 O O . HIS D 4 41 ? 8.310 -35.268 -48.943 1.00 54.50 ? 41 HIS D O 1 ATOM 4840 C CB . HIS D 4 41 ? 11.657 -35.844 -49.146 1.00 51.81 ? 41 HIS D CB 1 ATOM 4841 C CG . HIS D 4 41 ? 12.641 -35.179 -50.055 1.00 54.12 ? 41 HIS D CG 1 ATOM 4842 N ND1 . HIS D 4 41 ? 13.784 -34.564 -49.591 1.00 56.28 ? 41 HIS D ND1 1 ATOM 4843 C CD2 . HIS D 4 41 ? 12.655 -35.037 -51.400 1.00 55.42 ? 41 HIS D CD2 1 ATOM 4844 C CE1 . HIS D 4 41 ? 14.460 -34.070 -50.613 1.00 58.49 ? 41 HIS D CE1 1 ATOM 4845 N NE2 . HIS D 4 41 ? 13.798 -34.346 -51.722 1.00 58.19 ? 41 HIS D NE2 1 ATOM 4846 N N . GLY D 4 42 ? 9.313 -36.614 -47.446 1.00 50.73 ? 42 GLY D N 1 ATOM 4847 C CA . GLY D 4 42 ? 8.213 -37.581 -47.404 1.00 49.31 ? 42 GLY D CA 1 ATOM 4848 C C . GLY D 4 42 ? 8.553 -38.776 -48.280 1.00 46.42 ? 42 GLY D C 1 ATOM 4849 O O . GLY D 4 42 ? 9.210 -38.625 -49.307 1.00 46.07 ? 42 GLY D O 1 ATOM 4850 N N . LEU D 4 43 ? 8.096 -39.959 -47.869 1.00 45.03 ? 43 LEU D N 1 ATOM 4851 C CA . LEU D 4 43 ? 8.514 -41.251 -48.446 1.00 42.82 ? 43 LEU D CA 1 ATOM 4852 C C . LEU D 4 43 ? 8.519 -41.316 -49.974 1.00 42.70 ? 43 LEU D C 1 ATOM 4853 O O . LEU D 4 43 ? 7.552 -40.915 -50.624 1.00 43.98 ? 43 LEU D O 1 ATOM 4854 C CB . LEU D 4 43 ? 7.646 -42.386 -47.890 1.00 42.45 ? 43 LEU D CB 1 ATOM 4855 C CG . LEU D 4 43 ? 7.965 -43.005 -46.528 1.00 42.11 ? 43 LEU D CG 1 ATOM 4856 C CD1 . LEU D 4 43 ? 7.764 -42.011 -45.395 1.00 44.36 ? 43 LEU D CD1 1 ATOM 4857 C CD2 . LEU D 4 43 ? 7.097 -44.222 -46.315 1.00 41.56 ? 43 LEU D CD2 1 ATOM 4858 N N . ARG D 4 44 ? 9.613 -41.831 -50.530 1.00 41.81 ? 44 ARG D N 1 ATOM 4859 C CA . ARG D 4 44 ? 9.768 -41.988 -51.980 1.00 42.34 ? 44 ARG D CA 1 ATOM 4860 C C . ARG D 4 44 ? 10.000 -43.450 -52.392 1.00 41.26 ? 44 ARG D C 1 ATOM 4861 O O . ARG D 4 44 ? 10.711 -44.192 -51.707 1.00 40.29 ? 44 ARG D O 1 ATOM 4862 C CB . ARG D 4 44 ? 10.900 -41.097 -52.495 1.00 43.38 ? 44 ARG D CB 1 ATOM 4863 C CG . ARG D 4 44 ? 10.511 -39.633 -52.635 1.00 46.25 ? 44 ARG D CG 1 ATOM 4864 C CD . ARG D 4 44 ? 11.652 -38.798 -53.200 1.00 49.17 ? 44 ARG D CD 1 ATOM 4865 N NE . ARG D 4 44 ? 12.745 -38.646 -52.243 1.00 49.95 ? 44 ARG D NE 1 ATOM 4866 C CZ . ARG D 4 44 ? 13.954 -38.174 -52.538 1.00 52.00 ? 44 ARG D CZ 1 ATOM 4867 N NH1 . ARG D 4 44 ? 14.247 -37.800 -53.779 1.00 54.26 ? 44 ARG D NH1 1 ATOM 4868 N NH2 . ARG D 4 44 ? 14.875 -38.080 -51.587 1.00 52.14 ? 44 ARG D NH2 1 ATOM 4869 N N . LEU D 4 45 ? 9.404 -43.852 -53.515 1.00 41.94 ? 45 LEU D N 1 ATOM 4870 C CA . LEU D 4 45 ? 9.406 -45.259 -53.929 1.00 41.75 ? 45 LEU D CA 1 ATOM 4871 C C . LEU D 4 45 ? 10.654 -45.680 -54.701 1.00 42.32 ? 45 LEU D C 1 ATOM 4872 O O . LEU D 4 45 ? 11.005 -45.081 -55.724 1.00 43.67 ? 45 LEU D O 1 ATOM 4873 C CB . LEU D 4 45 ? 8.147 -45.600 -54.734 1.00 42.63 ? 45 LEU D CB 1 ATOM 4874 C CG . LEU D 4 45 ? 7.947 -47.079 -55.086 1.00 42.84 ? 45 LEU D CG 1 ATOM 4875 C CD1 . LEU D 4 45 ? 7.741 -47.934 -53.849 1.00 42.02 ? 45 LEU D CD1 1 ATOM 4876 C CD2 . LEU D 4 45 ? 6.782 -47.242 -56.035 1.00 44.70 ? 45 LEU D CD2 1 ATOM 4877 N N . ILE D 4 46 ? 11.306 -46.729 -54.207 1.00 41.92 ? 46 ILE D N 1 ATOM 4878 C CA . ILE D 4 46 ? 12.520 -47.236 -54.831 1.00 42.91 ? 46 ILE D CA 1 ATOM 4879 C C . ILE D 4 46 ? 12.193 -48.418 -55.740 1.00 44.09 ? 46 ILE D C 1 ATOM 4880 O O . ILE D 4 46 ? 12.268 -48.301 -56.959 1.00 45.73 ? 46 ILE D O 1 ATOM 4881 C CB . ILE D 4 46 ? 13.620 -47.569 -53.782 1.00 42.53 ? 46 ILE D CB 1 ATOM 4882 C CG1 . ILE D 4 46 ? 14.115 -46.278 -53.114 1.00 41.94 ? 46 ILE D CG1 1 ATOM 4883 C CG2 . ILE D 4 46 ? 14.791 -48.283 -54.441 1.00 44.20 ? 46 ILE D CG2 1 ATOM 4884 C CD1 . ILE D 4 46 ? 14.893 -46.486 -51.835 1.00 41.36 ? 46 ILE D CD1 1 ATOM 4885 N N . HIS D 4 47 ? 11.822 -49.545 -55.146 1.00 43.99 ? 47 HIS D N 1 ATOM 4886 C CA . HIS D 4 47 ? 11.419 -50.722 -55.908 1.00 45.63 ? 47 HIS D CA 1 ATOM 4887 C C . HIS D 4 47 ? 10.158 -51.312 -55.300 1.00 45.54 ? 47 HIS D C 1 ATOM 4888 O O . HIS D 4 47 ? 9.942 -51.218 -54.089 1.00 44.70 ? 47 HIS D O 1 ATOM 4889 C CB . HIS D 4 47 ? 12.518 -51.791 -55.906 1.00 47.10 ? 47 HIS D CB 1 ATOM 4890 C CG . HIS D 4 47 ? 13.734 -51.433 -56.707 1.00 48.03 ? 47 HIS D CG 1 ATOM 4891 N ND1 . HIS D 4 47 ? 13.691 -51.194 -58.064 1.00 49.47 ? 47 HIS D ND1 1 ATOM 4892 C CD2 . HIS D 4 47 ? 15.034 -51.316 -56.346 1.00 48.11 ? 47 HIS D CD2 1 ATOM 4893 C CE1 . HIS D 4 47 ? 14.908 -50.920 -58.498 1.00 50.68 ? 47 HIS D CE1 1 ATOM 4894 N NE2 . HIS D 4 47 ? 15.741 -50.986 -57.475 1.00 49.72 ? 47 HIS D NE2 1 ATOM 4895 N N . TYR D 4 48 ? 9.334 -51.924 -56.142 1.00 47.05 ? 48 TYR D N 1 ATOM 4896 C CA . TYR D 4 48 ? 8.116 -52.582 -55.686 1.00 47.79 ? 48 TYR D CA 1 ATOM 4897 C C . TYR D 4 48 ? 7.872 -53.894 -56.434 1.00 50.59 ? 48 TYR D C 1 ATOM 4898 O O . TYR D 4 48 ? 8.492 -54.155 -57.474 1.00 51.89 ? 48 TYR D O 1 ATOM 4899 C CB . TYR D 4 48 ? 6.911 -51.638 -55.795 1.00 47.29 ? 48 TYR D CB 1 ATOM 4900 C CG . TYR D 4 48 ? 6.497 -51.276 -57.206 1.00 48.64 ? 48 TYR D CG 1 ATOM 4901 C CD1 . TYR D 4 48 ? 7.134 -50.250 -57.903 1.00 48.50 ? 48 TYR D CD1 1 ATOM 4902 C CD2 . TYR D 4 48 ? 5.453 -51.949 -57.838 1.00 50.88 ? 48 TYR D CD2 1 ATOM 4903 C CE1 . TYR D 4 48 ? 6.749 -49.913 -59.201 1.00 50.46 ? 48 TYR D CE1 1 ATOM 4904 C CE2 . TYR D 4 48 ? 5.061 -51.619 -59.132 1.00 52.73 ? 48 TYR D CE2 1 ATOM 4905 C CZ . TYR D 4 48 ? 5.710 -50.600 -59.806 1.00 52.50 ? 48 TYR D CZ 1 ATOM 4906 O OH . TYR D 4 48 ? 5.318 -50.272 -61.085 1.00 54.87 ? 48 TYR D OH 1 ATOM 4907 N N . SER D 4 49 ? 6.973 -54.717 -55.901 1.00 51.93 ? 49 SER D N 1 ATOM 4908 C CA . SER D 4 49 ? 6.728 -56.042 -56.460 1.00 55.27 ? 49 SER D CA 1 ATOM 4909 C C . SER D 4 49 ? 5.248 -56.390 -56.516 1.00 57.10 ? 49 SER D C 1 ATOM 4910 O O . SER D 4 49 ? 4.485 -56.026 -55.624 1.00 56.48 ? 49 SER D O 1 ATOM 4911 C CB . SER D 4 49 ? 7.475 -57.104 -55.654 1.00 56.61 ? 49 SER D CB 1 ATOM 4912 O OG . SER D 4 49 ? 7.235 -58.394 -56.187 1.00 60.46 ? 49 SER D OG 1 ATOM 4913 N N . TYR D 4 50 ? 4.855 -57.104 -57.566 1.00 59.95 ? 50 TYR D N 1 ATOM 4914 C CA . TYR D 4 50 ? 3.482 -57.576 -57.701 1.00 62.53 ? 50 TYR D CA 1 ATOM 4915 C C . TYR D 4 50 ? 3.328 -59.050 -57.322 1.00 66.23 ? 50 TYR D C 1 ATOM 4916 O O . TYR D 4 50 ? 2.232 -59.606 -57.413 1.00 69.17 ? 50 TYR D O 1 ATOM 4917 C CB . TYR D 4 50 ? 2.956 -57.324 -59.118 1.00 64.07 ? 50 TYR D CB 1 ATOM 4918 C CG . TYR D 4 50 ? 2.481 -55.909 -59.353 1.00 61.61 ? 50 TYR D CG 1 ATOM 4919 C CD1 . TYR D 4 50 ? 1.367 -55.409 -58.685 1.00 61.31 ? 50 TYR D CD1 1 ATOM 4920 C CD2 . TYR D 4 50 ? 3.135 -55.074 -60.255 1.00 60.32 ? 50 TYR D CD2 1 ATOM 4921 C CE1 . TYR D 4 50 ? 0.923 -54.110 -58.898 1.00 60.00 ? 50 TYR D CE1 1 ATOM 4922 C CE2 . TYR D 4 50 ? 2.697 -53.775 -60.479 1.00 58.93 ? 50 TYR D CE2 1 ATOM 4923 C CZ . TYR D 4 50 ? 1.592 -53.298 -59.794 1.00 58.70 ? 50 TYR D CZ 1 ATOM 4924 O OH . TYR D 4 50 ? 1.150 -52.010 -60.000 1.00 57.74 ? 50 TYR D OH 1 ATOM 4925 N N . GLY D 4 51 ? 4.423 -59.672 -56.888 1.00 66.63 ? 51 GLY D N 1 ATOM 4926 C CA . GLY D 4 51 ? 4.402 -61.069 -56.460 1.00 70.89 ? 51 GLY D CA 1 ATOM 4927 C C . GLY D 4 51 ? 5.758 -61.747 -56.487 1.00 72.23 ? 51 GLY D C 1 ATOM 4928 O O . GLY D 4 51 ? 6.783 -61.098 -56.698 1.00 69.48 ? 51 GLY D O 1 ATOM 4929 N N . ALA D 4 52 ? 5.750 -63.062 -56.275 1.00 77.08 ? 52 ALA D N 1 ATOM 4930 C CA . ALA D 4 52 ? 6.972 -63.868 -56.240 1.00 79.78 ? 52 ALA D CA 1 ATOM 4931 C C . ALA D 4 52 ? 7.661 -63.932 -57.603 1.00 81.04 ? 52 ALA D C 1 ATOM 4932 O O . ALA D 4 52 ? 7.152 -64.549 -58.541 1.00 84.73 ? 52 ALA D O 1 ATOM 4933 C CB . ALA D 4 52 ? 6.667 -65.270 -55.723 1.00 85.42 ? 52 ALA D CB 1 ATOM 4934 N N . GLY D 4 53 ? 8.818 -63.282 -57.701 1.00 78.64 ? 53 GLY D N 1 ATOM 4935 C CA . GLY D 4 53 ? 9.580 -63.225 -58.947 1.00 80.11 ? 53 GLY D CA 1 ATOM 4936 C C . GLY D 4 53 ? 9.423 -61.923 -59.717 1.00 76.67 ? 53 GLY D C 1 ATOM 4937 O O . GLY D 4 53 ? 9.929 -61.795 -60.832 1.00 78.24 ? 53 GLY D O 1 ATOM 4938 N N . SER D 4 54 ? 8.722 -60.957 -59.128 1.00 72.72 ? 54 SER D N 1 ATOM 4939 C CA . SER D 4 54 ? 8.509 -59.656 -59.760 1.00 69.82 ? 54 SER D CA 1 ATOM 4940 C C . SER D 4 54 ? 9.302 -58.560 -59.057 1.00 65.77 ? 54 SER D C 1 ATOM 4941 O O . SER D 4 54 ? 9.320 -58.485 -57.829 1.00 64.03 ? 54 SER D O 1 ATOM 4942 C CB . SER D 4 54 ? 7.016 -59.301 -59.775 1.00 69.29 ? 54 SER D CB 1 ATOM 4943 O OG . SER D 4 54 ? 6.793 -57.983 -60.260 1.00 66.65 ? 54 SER D OG 1 ATOM 4944 N N . THR D 4 55 ? 9.958 -57.716 -59.848 1.00 64.91 ? 55 THR D N 1 ATOM 4945 C CA . THR D 4 55 ? 10.646 -56.536 -59.333 1.00 61.48 ? 55 THR D CA 1 ATOM 4946 C C . THR D 4 55 ? 10.470 -55.396 -60.324 1.00 60.84 ? 55 THR D C 1 ATOM 4947 O O . THR D 4 55 ? 10.701 -55.571 -61.522 1.00 63.51 ? 55 THR D O 1 ATOM 4948 C CB . THR D 4 55 ? 12.145 -56.801 -59.096 1.00 62.23 ? 55 THR D CB 1 ATOM 4949 N N . GLU D 4 56 ? 10.041 -54.237 -59.828 1.00 57.94 ? 56 GLU D N 1 ATOM 4950 C CA . GLU D 4 56 ? 9.756 -53.087 -60.693 1.00 57.87 ? 56 GLU D CA 1 ATOM 4951 C C . GLU D 4 56 ? 10.360 -51.801 -60.151 1.00 55.23 ? 56 GLU D C 1 ATOM 4952 O O . GLU D 4 56 ? 10.320 -51.556 -58.949 1.00 52.92 ? 56 GLU D O 1 ATOM 4953 C CB . GLU D 4 56 ? 8.246 -52.912 -60.889 1.00 58.15 ? 56 GLU D CB 1 ATOM 4954 C CG . GLU D 4 56 ? 7.501 -54.160 -61.389 1.00 61.54 ? 56 GLU D CG 1 ATOM 4955 C CD . GLU D 4 56 ? 7.802 -54.519 -62.840 1.00 65.79 ? 56 GLU D CD 1 ATOM 4956 O OE1 . GLU D 4 56 ? 8.312 -53.657 -63.590 1.00 66.53 ? 56 GLU D OE1 1 ATOM 4957 O OE2 . GLU D 4 56 ? 7.513 -55.671 -63.236 1.00 69.07 ? 56 GLU D OE2 1 ATOM 4958 N N . LYS D 4 57 ? 10.915 -50.987 -61.046 1.00 56.33 ? 57 LYS D N 1 ATOM 4959 C CA . LYS D 4 57 ? 11.513 -49.699 -60.681 1.00 54.83 ? 57 LYS D CA 1 ATOM 4960 C C . LYS D 4 57 ? 10.453 -48.700 -60.221 1.00 53.23 ? 57 LYS D C 1 ATOM 4961 O O . LYS D 4 57 ? 9.352 -48.655 -60.768 1.00 54.31 ? 57 LYS D O 1 ATOM 4962 C CB . LYS D 4 57 ? 12.282 -49.103 -61.865 1.00 57.47 ? 57 LYS D CB 1 ATOM 4963 C CG . LYS D 4 57 ? 13.519 -49.883 -62.305 1.00 59.66 ? 57 LYS D CG 1 ATOM 4964 C CD . LYS D 4 57 ? 14.275 -49.138 -63.404 1.00 62.26 ? 57 LYS D CD 1 ATOM 4965 C CE . LYS D 4 57 ? 15.512 -49.895 -63.845 1.00 64.93 ? 57 LYS D CE 1 ATOM 4966 N N . GLY D 4 58 ? 10.796 -47.904 -59.213 1.00 51.23 ? 58 GLY D N 1 ATOM 4967 C CA . GLY D 4 58 ? 9.933 -46.821 -58.746 1.00 50.38 ? 58 GLY D CA 1 ATOM 4968 C C . GLY D 4 58 ? 10.396 -45.462 -59.244 1.00 51.70 ? 58 GLY D C 1 ATOM 4969 O O . GLY D 4 58 ? 10.899 -45.340 -60.361 1.00 54.00 ? 58 GLY D O 1 ATOM 4970 N N . ASP D 4 59 ? 10.232 -44.440 -58.410 1.00 50.91 ? 59 ASP D N 1 ATOM 4971 C CA . ASP D 4 59 ? 10.568 -43.068 -58.792 1.00 52.90 ? 59 ASP D CA 1 ATOM 4972 C C . ASP D 4 59 ? 12.073 -42.783 -58.774 1.00 53.62 ? 59 ASP D C 1 ATOM 4973 O O . ASP D 4 59 ? 12.550 -41.949 -59.548 1.00 56.27 ? 59 ASP D O 1 ATOM 4974 C CB . ASP D 4 59 ? 9.819 -42.058 -57.915 1.00 52.46 ? 59 ASP D CB 1 ATOM 4975 C CG . ASP D 4 59 ? 8.314 -42.050 -58.172 0.70 53.44 ? 59 ASP D CG 1 ATOM 4976 O OD1 . ASP D 4 59 ? 7.682 -40.996 -57.947 0.70 54.92 ? 59 ASP D OD1 1 ATOM 4977 O OD2 . ASP D 4 59 ? 7.759 -43.089 -58.593 0.70 53.40 ? 59 ASP D OD2 1 ATOM 4978 N N . ILE D 4 60 ? 12.809 -43.470 -57.895 1.00 51.84 ? 60 ILE D N 1 ATOM 4979 C CA . ILE D 4 60 ? 14.273 -43.317 -57.794 1.00 52.73 ? 60 ILE D CA 1 ATOM 4980 C C . ILE D 4 60 ? 15.018 -44.648 -57.540 1.00 52.13 ? 60 ILE D C 1 ATOM 4981 O O . ILE D 4 60 ? 15.549 -44.867 -56.446 1.00 50.91 ? 60 ILE D O 1 ATOM 4982 C CB . ILE D 4 60 ? 14.685 -42.267 -56.716 1.00 52.11 ? 60 ILE D CB 1 ATOM 4983 C CG1 . ILE D 4 60 ? 13.857 -42.438 -55.436 1.00 49.29 ? 60 ILE D CG1 1 ATOM 4984 C CG2 . ILE D 4 60 ? 14.574 -40.848 -57.269 1.00 54.83 ? 60 ILE D CG2 1 ATOM 4985 C CD1 . ILE D 4 60 ? 14.519 -41.883 -54.188 1.00 48.44 ? 60 ILE D CD1 1 ATOM 4986 N N . PRO D 4 61 ? 15.080 -45.532 -58.556 1.00 53.68 ? 61 PRO D N 1 ATOM 4987 C CA . PRO D 4 61 ? 15.697 -46.849 -58.371 1.00 53.85 ? 61 PRO D CA 1 ATOM 4988 C C . PRO D 4 61 ? 17.230 -46.861 -58.508 1.00 56.07 ? 61 PRO D C 1 ATOM 4989 O O . PRO D 4 61 ? 17.856 -47.917 -58.330 1.00 56.65 ? 61 PRO D O 1 ATOM 4990 C CB . PRO D 4 61 ? 15.066 -47.675 -59.488 1.00 55.34 ? 61 PRO D CB 1 ATOM 4991 C CG . PRO D 4 61 ? 14.828 -46.688 -60.575 1.00 57.44 ? 61 PRO D CG 1 ATOM 4992 C CD . PRO D 4 61 ? 14.570 -45.356 -59.928 1.00 56.02 ? 61 PRO D CD 1 ATOM 4993 N N . ASP D 4 62 ? 17.818 -45.699 -58.804 1.00 57.73 ? 62 ASP D N 1 ATOM 4994 C CA . ASP D 4 62 ? 19.254 -45.588 -59.101 1.00 60.70 ? 62 ASP D CA 1 ATOM 4995 C C . ASP D 4 62 ? 20.157 -45.932 -57.917 1.00 59.80 ? 62 ASP D C 1 ATOM 4996 O O . ASP D 4 62 ? 20.052 -45.338 -56.845 1.00 57.86 ? 62 ASP D O 1 ATOM 4997 C CB . ASP D 4 62 ? 19.592 -44.201 -59.665 1.00 63.14 ? 62 ASP D CB 1 ATOM 4998 C CG . ASP D 4 62 ? 19.277 -44.077 -61.154 1.00 66.54 ? 62 ASP D CG 1 ATOM 4999 O OD1 . ASP D 4 62 ? 20.005 -43.343 -61.857 1.00 70.48 ? 62 ASP D OD1 1 ATOM 5000 O OD2 . ASP D 4 62 ? 18.310 -44.714 -61.627 1.00 65.92 ? 62 ASP D OD2 1 ATOM 5001 N N . GLY D 4 63 ? 21.044 -46.899 -58.131 1.00 61.86 ? 63 GLY D N 1 ATOM 5002 C CA . GLY D 4 63 ? 21.916 -47.406 -57.077 1.00 61.83 ? 63 GLY D CA 1 ATOM 5003 C C . GLY D 4 63 ? 21.263 -48.497 -56.246 1.00 59.59 ? 63 GLY D C 1 ATOM 5004 O O . GLY D 4 63 ? 21.844 -48.971 -55.266 1.00 59.74 ? 63 GLY D O 1 ATOM 5005 N N . TYR D 4 64 ? 20.057 -48.900 -56.638 1.00 58.08 ? 65 TYR D N 1 ATOM 5006 C CA . TYR D 4 64 ? 19.317 -49.921 -55.910 1.00 56.52 ? 65 TYR D CA 1 ATOM 5007 C C . TYR D 4 64 ? 18.867 -51.062 -56.814 1.00 58.20 ? 65 TYR D C 1 ATOM 5008 O O . TYR D 4 64 ? 18.489 -50.845 -57.966 1.00 59.20 ? 65 TYR D O 1 ATOM 5009 C CB . TYR D 4 64 ? 18.090 -49.315 -55.229 1.00 53.44 ? 65 TYR D CB 1 ATOM 5010 C CG . TYR D 4 64 ? 18.365 -48.169 -54.276 1.00 51.79 ? 65 TYR D CG 1 ATOM 5011 C CD1 . TYR D 4 64 ? 18.763 -48.406 -52.963 1.00 50.96 ? 65 TYR D CD1 1 ATOM 5012 C CD2 . TYR D 4 64 ? 18.199 -46.850 -54.685 1.00 51.49 ? 65 TYR D CD2 1 ATOM 5013 C CE1 . TYR D 4 64 ? 19.008 -47.362 -52.089 1.00 50.00 ? 65 TYR D CE1 1 ATOM 5014 C CE2 . TYR D 4 64 ? 18.441 -45.796 -53.821 1.00 50.91 ? 65 TYR D CE2 1 ATOM 5015 C CZ . TYR D 4 64 ? 18.844 -46.057 -52.522 1.00 50.20 ? 65 TYR D CZ 1 ATOM 5016 O OH . TYR D 4 64 ? 19.075 -45.008 -51.659 1.00 49.80 ? 65 TYR D OH 1 ATOM 5017 N N . LYS D 4 65 ? 18.910 -52.275 -56.272 1.00 59.04 ? 66 LYS D N 1 ATOM 5018 C CA . LYS D 4 65 ? 18.370 -53.464 -56.930 1.00 60.90 ? 66 LYS D CA 1 ATOM 5019 C C . LYS D 4 65 ? 17.424 -54.196 -55.978 1.00 59.61 ? 66 LYS D C 1 ATOM 5020 O O . LYS D 4 65 ? 17.601 -54.154 -54.761 1.00 58.64 ? 66 LYS D O 1 ATOM 5021 C CB . LYS D 4 65 ? 19.495 -54.397 -57.385 1.00 64.92 ? 66 LYS D CB 1 ATOM 5022 C CG . LYS D 4 65 ? 20.260 -53.912 -58.607 1.00 67.45 ? 66 LYS D CG 1 ATOM 5023 N N . ALA D 4 66 ? 16.416 -54.858 -56.532 1.00 60.22 ? 67 ALA D N 1 ATOM 5024 C CA . ALA D 4 66 ? 15.454 -55.593 -55.718 1.00 59.77 ? 67 ALA D CA 1 ATOM 5025 C C . ALA D 4 66 ? 15.431 -57.078 -56.071 1.00 63.53 ? 67 ALA D C 1 ATOM 5026 O O . ALA D 4 66 ? 15.868 -57.479 -57.153 1.00 66.27 ? 67 ALA D O 1 ATOM 5027 C CB . ALA D 4 66 ? 14.071 -54.993 -55.866 1.00 57.54 ? 67 ALA D CB 1 ATOM 5028 N N . SER D 4 67 ? 14.926 -57.886 -55.144 1.00 64.16 ? 68 SER D N 1 ATOM 5029 C CA . SER D 4 67 ? 14.727 -59.312 -55.377 1.00 68.18 ? 68 SER D CA 1 ATOM 5030 C C . SER D 4 67 ? 13.553 -59.814 -54.550 1.00 68.20 ? 68 SER D C 1 ATOM 5031 O O . SER D 4 67 ? 13.386 -59.425 -53.391 1.00 66.33 ? 68 SER D O 1 ATOM 5032 C CB . SER D 4 67 ? 15.992 -60.109 -55.039 1.00 71.58 ? 68 SER D CB 1 ATOM 5033 N N . ARG D 4 68 ? 12.735 -60.670 -55.151 1.00 70.72 ? 69 ARG D N 1 ATOM 5034 C CA . ARG D 4 68 ? 11.659 -61.314 -54.418 1.00 71.90 ? 69 ARG D CA 1 ATOM 5035 C C . ARG D 4 68 ? 11.712 -62.826 -54.626 1.00 77.31 ? 69 ARG D C 1 ATOM 5036 O O . ARG D 4 68 ? 11.124 -63.342 -55.574 1.00 79.67 ? 69 ARG D O 1 ATOM 5037 C CB . ARG D 4 68 ? 10.297 -60.719 -54.800 1.00 69.86 ? 69 ARG D CB 1 ATOM 5038 C CG . ARG D 4 68 ? 9.147 -61.258 -53.966 1.00 71.49 ? 69 ARG D CG 1 ATOM 5039 C CD . ARG D 4 68 ? 8.092 -60.214 -53.689 1.00 68.13 ? 69 ARG D CD 1 ATOM 5040 N NE . ARG D 4 68 ? 7.030 -60.750 -52.841 1.00 70.40 ? 69 ARG D NE 1 ATOM 5041 C CZ . ARG D 4 68 ? 5.876 -60.138 -52.597 1.00 69.39 ? 69 ARG D CZ 1 ATOM 5042 N NH1 . ARG D 4 68 ? 5.615 -58.954 -53.138 1.00 66.18 ? 69 ARG D NH1 1 ATOM 5043 N NH2 . ARG D 4 68 ? 4.978 -60.715 -51.810 1.00 72.15 ? 69 ARG D NH2 1 ATOM 5044 N N . PRO D 4 69 ? 12.435 -63.536 -53.739 1.00 79.92 ? 70 PRO D N 1 ATOM 5045 C CA . PRO D 4 69 ? 12.618 -64.990 -53.826 1.00 86.08 ? 70 PRO D CA 1 ATOM 5046 C C . PRO D 4 69 ? 11.349 -65.768 -53.484 1.00 88.86 ? 70 PRO D C 1 ATOM 5047 O O . PRO D 4 69 ? 11.072 -66.799 -54.104 1.00 93.61 ? 70 PRO D O 1 ATOM 5048 C CB . PRO D 4 69 ? 13.714 -65.277 -52.787 1.00 87.83 ? 70 PRO D CB 1 ATOM 5049 C CG . PRO D 4 69 ? 14.299 -63.934 -52.433 1.00 82.49 ? 70 PRO D CG 1 ATOM 5050 C CD . PRO D 4 69 ? 13.186 -62.963 -52.610 1.00 77.82 ? 70 PRO D CD 1 ATOM 5051 N N . SER D 4 70 ? 10.597 -65.273 -52.502 1.00 86.35 ? 71 SER D N 1 ATOM 5052 C CA . SER D 4 70 ? 9.328 -65.875 -52.100 1.00 89.03 ? 71 SER D CA 1 ATOM 5053 C C . SER D 4 70 ? 8.272 -64.792 -51.869 1.00 84.41 ? 71 SER D C 1 ATOM 5054 O O . SER D 4 70 ? 8.577 -63.598 -51.925 1.00 79.18 ? 71 SER D O 1 ATOM 5055 C CB . SER D 4 70 ? 9.510 -66.722 -50.835 1.00 93.37 ? 71 SER D CB 1 ATOM 5056 N N . GLN D 4 71 ? 7.034 -65.220 -51.622 1.00 86.76 ? 72 GLN D N 1 ATOM 5057 C CA . GLN D 4 71 ? 5.941 -64.320 -51.258 1.00 83.56 ? 72 GLN D CA 1 ATOM 5058 C C . GLN D 4 71 ? 6.294 -63.553 -49.980 1.00 80.70 ? 72 GLN D C 1 ATOM 5059 O O . GLN D 4 71 ? 6.039 -62.346 -49.871 1.00 76.12 ? 72 GLN D O 1 ATOM 5060 C CB . GLN D 4 71 ? 4.651 -65.128 -51.066 1.00 88.29 ? 72 GLN D CB 1 ATOM 5061 C CG . GLN D 4 71 ? 3.437 -64.326 -50.589 1.00 86.65 ? 72 GLN D CG 1 ATOM 5062 C CD . GLN D 4 71 ? 2.538 -63.846 -51.719 1.00 85.32 ? 72 GLN D CD 1 ATOM 5063 O OE1 . GLN D 4 71 ? 2.990 -63.606 -52.841 1.00 83.64 ? 72 GLN D OE1 1 ATOM 5064 N NE2 . GLN D 4 71 ? 1.252 -63.697 -51.420 1.00 86.62 ? 72 GLN D NE2 1 ATOM 5065 N N . GLU D 4 72 ? 6.905 -64.268 -49.036 1.00 83.81 ? 73 GLU D N 1 ATOM 5066 C CA . GLU D 4 72 ? 7.243 -63.739 -47.717 1.00 82.53 ? 73 GLU D CA 1 ATOM 5067 C C . GLU D 4 72 ? 8.304 -62.625 -47.720 1.00 77.33 ? 73 GLU D C 1 ATOM 5068 O O . GLU D 4 72 ? 8.123 -61.604 -47.053 1.00 74.22 ? 73 GLU D O 1 ATOM 5069 C CB . GLU D 4 72 ? 7.669 -64.884 -46.793 1.00 88.24 ? 73 GLU D CB 1 ATOM 5070 N N . ASN D 4 73 ? 9.392 -62.816 -48.471 1.00 76.85 ? 74 ASN D N 1 ATOM 5071 C CA . ASN D 4 73 ? 10.543 -61.895 -48.438 1.00 72.92 ? 74 ASN D CA 1 ATOM 5072 C C . ASN D 4 73 ? 10.697 -60.959 -49.640 1.00 68.52 ? 74 ASN D C 1 ATOM 5073 O O . ASN D 4 73 ? 10.264 -61.279 -50.746 1.00 69.19 ? 74 ASN D O 1 ATOM 5074 C CB . ASN D 4 73 ? 11.849 -62.668 -48.209 1.00 76.17 ? 74 ASN D CB 1 ATOM 5075 C CG . ASN D 4 73 ? 12.092 -62.980 -46.744 1.00 78.86 ? 74 ASN D CG 1 ATOM 5076 O OD1 . ASN D 4 73 ? 11.548 -63.942 -46.203 1.00 83.48 ? 74 ASN D OD1 1 ATOM 5077 N ND2 . ASN D 4 73 ? 12.921 -62.169 -46.095 1.00 76.57 ? 74 ASN D ND2 1 ATOM 5078 N N . PHE D 4 74 ? 11.326 -59.806 -49.403 1.00 64.59 ? 75 PHE D N 1 ATOM 5079 C CA . PHE D 4 74 ? 11.592 -58.804 -50.445 1.00 60.96 ? 75 PHE D CA 1 ATOM 5080 C C . PHE D 4 74 ? 12.766 -57.914 -50.039 1.00 58.64 ? 75 PHE D C 1 ATOM 5081 O O . PHE D 4 74 ? 12.640 -57.070 -49.158 1.00 56.62 ? 75 PHE D O 1 ATOM 5082 C CB . PHE D 4 74 ? 10.332 -57.972 -50.719 1.00 58.44 ? 75 PHE D CB 1 ATOM 5083 C CG . PHE D 4 74 ? 10.482 -56.948 -51.819 1.00 55.70 ? 75 PHE D CG 1 ATOM 5084 C CD1 . PHE D 4 74 ? 10.986 -57.302 -53.067 1.00 56.81 ? 75 PHE D CD1 1 ATOM 5085 C CD2 . PHE D 4 74 ? 10.071 -55.630 -51.613 1.00 52.66 ? 75 PHE D CD2 1 ATOM 5086 C CE1 . PHE D 4 74 ? 11.107 -56.351 -54.081 1.00 54.83 ? 75 PHE D CE1 1 ATOM 5087 C CE2 . PHE D 4 74 ? 10.185 -54.675 -52.621 1.00 50.42 ? 75 PHE D CE2 1 ATOM 5088 C CZ . PHE D 4 74 ? 10.705 -55.035 -53.855 1.00 51.62 ? 75 PHE D CZ 1 ATOM 5089 N N . SER D 4 75 ? 13.906 -58.116 -50.691 1.00 59.53 ? 76 SER D N 1 ATOM 5090 C CA . SER D 4 75 ? 15.151 -57.464 -50.299 1.00 58.55 ? 76 SER D CA 1 ATOM 5091 C C . SER D 4 75 ? 15.559 -56.320 -51.226 1.00 55.96 ? 76 SER D C 1 ATOM 5092 O O . SER D 4 75 ? 15.333 -56.374 -52.439 1.00 56.12 ? 76 SER D O 1 ATOM 5093 C CB . SER D 4 75 ? 16.278 -58.497 -50.213 1.00 62.42 ? 76 SER D CB 1 ATOM 5094 N N . LEU D 4 76 ? 16.157 -55.285 -50.633 1.00 54.14 ? 77 LEU D N 1 ATOM 5095 C CA . LEU D 4 76 ? 16.734 -54.163 -51.369 1.00 52.41 ? 77 LEU D CA 1 ATOM 5096 C C . LEU D 4 76 ? 18.253 -54.269 -51.348 1.00 54.57 ? 77 LEU D C 1 ATOM 5097 O O . LEU D 4 76 ? 18.878 -54.118 -50.298 1.00 55.04 ? 77 LEU D O 1 ATOM 5098 C CB . LEU D 4 76 ? 16.290 -52.831 -50.759 1.00 49.34 ? 77 LEU D CB 1 ATOM 5099 C CG . LEU D 4 76 ? 16.746 -51.549 -51.462 1.00 47.88 ? 77 LEU D CG 1 ATOM 5100 C CD1 . LEU D 4 76 ? 16.167 -51.467 -52.861 1.00 47.94 ? 77 LEU D CD1 1 ATOM 5101 C CD2 . LEU D 4 76 ? 16.367 -50.317 -50.660 1.00 45.48 ? 77 LEU D CD2 1 ATOM 5102 N N . ILE D 4 77 ? 18.841 -54.537 -52.510 1.00 56.52 ? 78 ILE D N 1 ATOM 5103 C CA . ILE D 4 77 ? 20.281 -54.763 -52.610 1.00 59.56 ? 78 ILE D CA 1 ATOM 5104 C C . ILE D 4 77 ? 20.998 -53.550 -53.198 1.00 59.10 ? 78 ILE D C 1 ATOM 5105 O O . ILE D 4 77 ? 20.667 -53.084 -54.292 1.00 58.70 ? 78 ILE D O 1 ATOM 5106 C CB . ILE D 4 77 ? 20.621 -56.025 -53.446 1.00 63.41 ? 78 ILE D CB 1 ATOM 5107 C CG1 . ILE D 4 77 ? 19.725 -57.206 -53.050 1.00 64.52 ? 78 ILE D CG1 1 ATOM 5108 C CG2 . ILE D 4 77 ? 22.096 -56.387 -53.283 1.00 67.14 ? 78 ILE D CG2 1 ATOM 5109 C CD1 . ILE D 4 77 ? 19.689 -58.335 -54.076 1.00 68.03 ? 78 ILE D CD1 1 ATOM 5110 N N . LEU D 4 78 ? 21.979 -53.049 -52.454 1.00 59.77 ? 79 LEU D N 1 ATOM 5111 C CA . LEU D 4 78 ? 22.813 -51.942 -52.895 1.00 60.27 ? 79 LEU D CA 1 ATOM 5112 C C . LEU D 4 78 ? 24.191 -52.501 -53.233 1.00 64.77 ? 79 LEU D C 1 ATOM 5113 O O . LEU D 4 78 ? 24.985 -52.775 -52.329 1.00 66.69 ? 79 LEU D O 1 ATOM 5114 C CB . LEU D 4 78 ? 22.928 -50.883 -51.790 1.00 58.30 ? 79 LEU D CB 1 ATOM 5115 C CG . LEU D 4 78 ? 21.716 -50.057 -51.326 1.00 54.69 ? 79 LEU D CG 1 ATOM 5116 C CD1 . LEU D 4 78 ? 20.618 -50.900 -50.691 1.00 53.20 ? 79 LEU D CD1 1 ATOM 5117 C CD2 . LEU D 4 78 ? 22.163 -48.976 -50.348 1.00 53.75 ? 79 LEU D CD2 1 ATOM 5118 N N . GLU D 4 79 ? 24.466 -52.694 -54.524 1.00 67.10 ? 80 GLU D N 1 ATOM 5119 C CA . GLU D 4 79 ? 25.752 -53.245 -54.969 1.00 71.90 ? 80 GLU D CA 1 ATOM 5120 C C . GLU D 4 79 ? 26.891 -52.348 -54.497 1.00 73.14 ? 80 GLU D C 1 ATOM 5121 O O . GLU D 4 79 ? 27.654 -52.721 -53.607 1.00 75.08 ? 80 GLU D O 1 ATOM 5122 C CB . GLU D 4 79 ? 25.800 -53.414 -56.498 1.00 74.49 ? 80 GLU D CB 1 ATOM 5123 C CG . GLU D 4 79 ? 24.686 -54.278 -57.112 1.00 74.13 ? 80 GLU D CG 1 ATOM 5124 C CD . GLU D 4 79 ? 24.920 -55.783 -56.981 0.70 77.79 ? 80 GLU D CD 1 ATOM 5125 O OE1 . GLU D 4 79 ? 25.689 -56.213 -56.094 0.70 80.00 ? 80 GLU D OE1 1 ATOM 5126 O OE2 . GLU D 4 79 ? 24.318 -56.543 -57.771 0.70 78.92 ? 80 GLU D OE2 1 ATOM 5127 N N . LEU D 4 80 ? 26.988 -51.161 -55.090 1.00 72.61 ? 81 LEU D N 1 ATOM 5128 C CA . LEU D 4 80 ? 27.963 -50.156 -54.678 1.00 74.04 ? 81 LEU D CA 1 ATOM 5129 C C . LEU D 4 80 ? 27.225 -49.082 -53.899 1.00 69.98 ? 81 LEU D C 1 ATOM 5130 O O . LEU D 4 80 ? 26.224 -48.541 -54.381 1.00 67.44 ? 81 LEU D O 1 ATOM 5131 C CB . LEU D 4 80 ? 28.673 -49.542 -55.892 1.00 77.60 ? 81 LEU D CB 1 ATOM 5132 C CG . LEU D 4 80 ? 29.549 -50.455 -56.759 1.00 82.68 ? 81 LEU D CG 1 ATOM 5133 N N . ALA D 4 81 ? 27.710 -48.791 -52.693 1.00 70.00 ? 82 ALA D N 1 ATOM 5134 C CA . ALA D 4 81 ? 27.051 -47.840 -51.794 1.00 66.66 ? 82 ALA D CA 1 ATOM 5135 C C . ALA D 4 81 ? 27.566 -46.418 -51.969 1.00 67.82 ? 82 ALA D C 1 ATOM 5136 O O . ALA D 4 81 ? 28.736 -46.206 -52.272 1.00 71.72 ? 82 ALA D O 1 ATOM 5137 C CB . ALA D 4 81 ? 27.209 -48.281 -50.351 1.00 66.51 ? 82 ALA D CB 1 ATOM 5138 N N . THR D 4 82 ? 26.680 -45.450 -51.775 1.00 65.16 ? 83 THR D N 1 ATOM 5139 C CA . THR D 4 82 ? 27.038 -44.040 -51.862 1.00 66.79 ? 83 THR D CA 1 ATOM 5140 C C . THR D 4 82 ? 26.760 -43.389 -50.514 1.00 65.30 ? 83 THR D C 1 ATOM 5141 O O . THR D 4 82 ? 25.867 -43.841 -49.792 1.00 62.42 ? 83 THR D O 1 ATOM 5142 C CB . THR D 4 82 ? 26.193 -43.300 -52.926 1.00 65.92 ? 83 THR D CB 1 ATOM 5143 O OG1 . THR D 4 82 ? 25.578 -44.239 -53.818 1.00 65.29 ? 83 THR D OG1 1 ATOM 5144 C CG2 . THR D 4 82 ? 27.051 -42.314 -53.717 1.00 70.01 ? 83 THR D CG2 1 ATOM 5145 N N . PRO D 4 83 ? 27.514 -42.326 -50.163 1.00 67.84 ? 84 PRO D N 1 ATOM 5146 C CA . PRO D 4 83 ? 27.160 -41.525 -48.988 1.00 66.92 ? 84 PRO D CA 1 ATOM 5147 C C . PRO D 4 83 ? 25.757 -40.927 -49.099 1.00 63.87 ? 84 PRO D C 1 ATOM 5148 O O . PRO D 4 83 ? 25.084 -40.745 -48.089 1.00 62.29 ? 84 PRO D O 1 ATOM 5149 C CB . PRO D 4 83 ? 28.203 -40.408 -49.000 1.00 70.98 ? 84 PRO D CB 1 ATOM 5150 C CG . PRO D 4 83 ? 29.371 -41.000 -49.686 1.00 74.38 ? 84 PRO D CG 1 ATOM 5151 C CD . PRO D 4 83 ? 28.807 -41.911 -50.735 1.00 72.46 ? 84 PRO D CD 1 ATOM 5152 N N . SER D 4 84 ? 25.325 -40.639 -50.324 1.00 63.72 ? 85 SER D N 1 ATOM 5153 C CA . SER D 4 84 ? 24.000 -40.089 -50.576 1.00 61.39 ? 85 SER D CA 1 ATOM 5154 C C . SER D 4 84 ? 22.890 -41.085 -50.245 1.00 57.70 ? 85 SER D C 1 ATOM 5155 O O . SER D 4 84 ? 21.738 -40.696 -50.054 1.00 55.91 ? 85 SER D O 1 ATOM 5156 C CB . SER D 4 84 ? 23.886 -39.667 -52.036 1.00 62.95 ? 85 SER D CB 1 ATOM 5157 O OG . SER D 4 84 ? 23.991 -40.795 -52.884 1.00 62.81 ? 85 SER D OG 1 ATOM 5158 N N . GLN D 4 85 ? 23.238 -42.367 -50.179 1.00 57.22 ? 86 GLN D N 1 ATOM 5159 C CA . GLN D 4 85 ? 22.262 -43.412 -49.868 1.00 54.42 ? 86 GLN D CA 1 ATOM 5160 C C . GLN D 4 85 ? 22.039 -43.583 -48.362 1.00 53.58 ? 86 GLN D C 1 ATOM 5161 O O . GLN D 4 85 ? 21.400 -44.543 -47.919 1.00 52.06 ? 86 GLN D O 1 ATOM 5162 C CB . GLN D 4 85 ? 22.663 -44.734 -50.524 1.00 55.13 ? 86 GLN D CB 1 ATOM 5163 C CG . GLN D 4 85 ? 22.549 -44.722 -52.043 1.00 55.77 ? 86 GLN D CG 1 ATOM 5164 C CD . GLN D 4 85 ? 22.986 -46.025 -52.674 1.00 57.12 ? 86 GLN D CD 1 ATOM 5165 O OE1 . GLN D 4 85 ? 23.865 -46.718 -52.159 1.00 58.78 ? 86 GLN D OE1 1 ATOM 5166 N NE2 . GLN D 4 85 ? 22.379 -46.363 -53.805 1.00 57.24 ? 86 GLN D NE2 1 ATOM 5167 N N . THR D 4 86 ? 22.575 -42.640 -47.587 1.00 55.07 ? 87 THR D N 1 ATOM 5168 C CA . THR D 4 86 ? 22.317 -42.545 -46.156 1.00 54.75 ? 87 THR D CA 1 ATOM 5169 C C . THR D 4 86 ? 20.900 -42.025 -45.964 1.00 52.80 ? 87 THR D C 1 ATOM 5170 O O . THR D 4 86 ? 20.607 -40.863 -46.266 1.00 53.24 ? 87 THR D O 1 ATOM 5171 C CB . THR D 4 86 ? 23.333 -41.616 -45.459 1.00 57.47 ? 87 THR D CB 1 ATOM 5172 O OG1 . THR D 4 86 ? 24.638 -42.200 -45.537 1.00 59.69 ? 87 THR D OG1 1 ATOM 5173 C CG2 . THR D 4 86 ? 22.971 -41.397 -43.993 1.00 57.84 ? 87 THR D CG2 1 ATOM 5174 N N . SER D 4 87 ? 20.027 -42.904 -45.476 1.00 51.20 ? 88 SER D N 1 ATOM 5175 C CA . SER D 4 87 ? 18.610 -42.594 -45.307 1.00 49.68 ? 88 SER D CA 1 ATOM 5176 C C . SER D 4 87 ? 17.952 -43.582 -44.348 1.00 49.16 ? 88 SER D C 1 ATOM 5177 O O . SER D 4 87 ? 18.580 -44.541 -43.901 1.00 50.01 ? 88 SER D O 1 ATOM 5178 C CB . SER D 4 87 ? 17.899 -42.633 -46.667 1.00 48.28 ? 88 SER D CB 1 ATOM 5179 O OG . SER D 4 87 ? 16.621 -42.020 -46.601 1.00 47.66 ? 88 SER D OG 1 ATOM 5180 N N . VAL D 4 88 ? 16.687 -43.334 -44.026 1.00 48.41 ? 89 VAL D N 1 ATOM 5181 C CA . VAL D 4 88 ? 15.890 -44.296 -43.276 1.00 48.39 ? 89 VAL D CA 1 ATOM 5182 C C . VAL D 4 88 ? 14.973 -45.008 -44.261 1.00 46.90 ? 89 VAL D C 1 ATOM 5183 O O . VAL D 4 88 ? 14.190 -44.367 -44.969 1.00 45.80 ? 89 VAL D O 1 ATOM 5184 C CB . VAL D 4 88 ? 15.061 -43.640 -42.152 1.00 49.53 ? 89 VAL D CB 1 ATOM 5185 C CG1 . VAL D 4 88 ? 14.442 -44.707 -41.267 1.00 50.26 ? 89 VAL D CG1 1 ATOM 5186 C CG2 . VAL D 4 88 ? 15.923 -42.699 -41.319 1.00 51.41 ? 89 VAL D CG2 1 ATOM 5187 N N . TYR D 4 89 ? 15.085 -46.333 -44.308 1.00 47.24 ? 90 TYR D N 1 ATOM 5188 C CA . TYR D 4 89 ? 14.370 -47.129 -45.297 1.00 46.44 ? 90 TYR D CA 1 ATOM 5189 C C . TYR D 4 89 ? 13.174 -47.855 -44.698 1.00 47.25 ? 90 TYR D C 1 ATOM 5190 O O . TYR D 4 89 ? 13.296 -48.544 -43.685 1.00 49.10 ? 90 TYR D O 1 ATOM 5191 C CB . TYR D 4 89 ? 15.322 -48.118 -45.974 1.00 46.89 ? 90 TYR D CB 1 ATOM 5192 C CG . TYR D 4 89 ? 16.405 -47.451 -46.796 1.00 46.79 ? 90 TYR D CG 1 ATOM 5193 C CD1 . TYR D 4 89 ? 17.636 -47.128 -46.227 1.00 47.93 ? 90 TYR D CD1 1 ATOM 5194 C CD2 . TYR D 4 89 ? 16.199 -47.141 -48.142 1.00 45.69 ? 90 TYR D CD2 1 ATOM 5195 C CE1 . TYR D 4 89 ? 18.632 -46.512 -46.973 1.00 48.19 ? 90 TYR D CE1 1 ATOM 5196 C CE2 . TYR D 4 89 ? 17.192 -46.521 -48.897 1.00 46.06 ? 90 TYR D CE2 1 ATOM 5197 C CZ . TYR D 4 89 ? 18.404 -46.212 -48.302 1.00 47.36 ? 90 TYR D CZ 1 ATOM 5198 O OH . TYR D 4 89 ? 19.394 -45.607 -49.034 1.00 48.62 ? 90 TYR D OH 1 ATOM 5199 N N . PHE D 4 90 ? 12.016 -47.688 -45.334 1.00 46.49 ? 91 PHE D N 1 ATOM 5200 C CA . PHE D 4 90 ? 10.798 -48.363 -44.907 1.00 47.46 ? 91 PHE D CA 1 ATOM 5201 C C . PHE D 4 90 ? 10.326 -49.363 -45.946 1.00 47.40 ? 91 PHE D C 1 ATOM 5202 O O . PHE D 4 90 ? 10.340 -49.088 -47.148 1.00 46.12 ? 91 PHE D O 1 ATOM 5203 C CB . PHE D 4 90 ? 9.684 -47.358 -44.629 1.00 47.56 ? 91 PHE D CB 1 ATOM 5204 C CG . PHE D 4 90 ? 9.965 -46.446 -43.478 1.00 48.41 ? 91 PHE D CG 1 ATOM 5205 C CD1 . PHE D 4 90 ? 10.435 -45.155 -43.699 1.00 47.69 ? 91 PHE D CD1 1 ATOM 5206 C CD2 . PHE D 4 90 ? 9.752 -46.869 -42.172 1.00 50.42 ? 91 PHE D CD2 1 ATOM 5207 C CE1 . PHE D 4 90 ? 10.696 -44.299 -42.634 1.00 48.77 ? 91 PHE D CE1 1 ATOM 5208 C CE2 . PHE D 4 90 ? 10.012 -46.018 -41.101 1.00 52.04 ? 91 PHE D CE2 1 ATOM 5209 C CZ . PHE D 4 90 ? 10.484 -44.730 -41.336 1.00 50.95 ? 91 PHE D CZ 1 ATOM 5210 N N . CYS D 4 91 ? 9.917 -50.529 -45.459 1.00 49.35 ? 92 CYS D N 1 ATOM 5211 C CA . CYS D 4 91 ? 9.297 -51.555 -46.278 1.00 50.09 ? 92 CYS D CA 1 ATOM 5212 C C . CYS D 4 91 ? 7.788 -51.490 -46.078 1.00 51.27 ? 92 CYS D C 1 ATOM 5213 O O . CYS D 4 91 ? 7.310 -50.999 -45.051 1.00 52.28 ? 92 CYS D O 1 ATOM 5214 C CB . CYS D 4 91 ? 9.818 -52.927 -45.866 1.00 52.32 ? 92 CYS D CB 1 ATOM 5215 S SG . CYS D 4 91 ? 9.188 -54.286 -46.855 1.00 54.18 ? 92 CYS D SG 1 ATOM 5216 N N . ALA D 4 92 ? 7.039 -51.973 -47.064 1.00 51.68 ? 93 ALA D N 1 ATOM 5217 C CA . ALA D 4 92 ? 5.583 -52.004 -46.979 1.00 53.23 ? 93 ALA D CA 1 ATOM 5218 C C . ALA D 4 92 ? 5.020 -53.180 -47.761 1.00 55.13 ? 93 ALA D C 1 ATOM 5219 O O . ALA D 4 92 ? 5.637 -53.650 -48.717 1.00 54.47 ? 93 ALA D O 1 ATOM 5220 C CB . ALA D 4 92 ? 4.990 -50.693 -47.481 1.00 51.72 ? 93 ALA D CB 1 ATOM 5221 N N . SER D 4 93 ? 3.855 -53.661 -47.335 1.00 58.11 ? 94 SER D N 1 ATOM 5222 C CA . SER D 4 93 ? 3.128 -54.697 -48.067 1.00 60.76 ? 94 SER D CA 1 ATOM 5223 C C . SER D 4 93 ? 1.638 -54.363 -48.114 1.00 62.70 ? 94 SER D C 1 ATOM 5224 O O . SER D 4 93 ? 1.201 -53.366 -47.538 1.00 62.20 ? 94 SER D O 1 ATOM 5225 C CB . SER D 4 93 ? 3.362 -56.082 -47.449 1.00 64.02 ? 94 SER D CB 1 ATOM 5226 O OG . SER D 4 93 ? 2.410 -56.372 -46.437 1.00 67.42 ? 94 SER D OG 1 ATOM 5227 N N . GLY D 4 94 ? 0.870 -55.197 -48.808 1.00 65.50 ? 95 GLY D N 1 ATOM 5228 C CA . GLY D 4 94 ? -0.576 -55.013 -48.906 1.00 68.45 ? 95 GLY D CA 1 ATOM 5229 C C . GLY D 4 94 ? -1.039 -54.446 -50.235 1.00 67.68 ? 95 GLY D C 1 ATOM 5230 O O . GLY D 4 94 ? -0.230 -53.962 -51.033 1.00 64.77 ? 95 GLY D O 1 ATOM 5231 N N . ASP D 4 95 ? -2.352 -54.503 -50.460 1.00 70.86 ? 96 ASP D N 1 ATOM 5232 C CA . ASP D 4 95 ? -2.961 -54.034 -51.704 1.00 71.07 ? 96 ASP D CA 1 ATOM 5233 C C . ASP D 4 95 ? -3.420 -52.581 -51.594 1.00 70.08 ? 96 ASP D C 1 ATOM 5234 O O . ASP D 4 95 ? -2.624 -51.654 -51.761 1.00 66.93 ? 96 ASP D O 1 ATOM 5235 C CB . ASP D 4 95 ? -4.135 -54.938 -52.101 1.00 75.65 ? 96 ASP D CB 1 ATOM 5236 C CG . ASP D 4 95 ? -3.710 -56.383 -52.350 1.00 77.52 ? 96 ASP D CG 1 ATOM 5237 O OD1 . ASP D 4 95 ? -3.057 -56.983 -51.464 1.00 77.57 ? 96 ASP D OD1 1 ATOM 5238 O OD2 . ASP D 4 95 ? -4.039 -56.920 -53.431 1.00 79.24 ? 96 ASP D OD2 1 ATOM 5239 N N . GLU D 4 102 ? -4.842 -50.688 -49.077 1.00 74.37 ? 103 GLU D N 1 ATOM 5240 C CA . GLU D 4 102 ? -4.199 -50.236 -47.848 1.00 73.23 ? 103 GLU D CA 1 ATOM 5241 C C . GLU D 4 102 ? -2.843 -50.915 -47.643 1.00 70.26 ? 103 GLU D C 1 ATOM 5242 O O . GLU D 4 102 ? -2.756 -52.147 -47.582 1.00 71.70 ? 103 GLU D O 1 ATOM 5243 C CB . GLU D 4 102 ? -5.107 -50.495 -46.639 1.00 77.61 ? 103 GLU D CB 1 ATOM 5244 C CG . GLU D 4 102 ? -4.516 -50.030 -45.309 1.00 77.66 ? 103 GLU D CG 1 ATOM 5245 C CD . GLU D 4 102 ? -5.189 -50.655 -44.095 1.00 83.15 ? 103 GLU D CD 1 ATOM 5246 O OE1 . GLU D 4 102 ? -5.854 -51.707 -44.238 1.00 86.46 ? 103 GLU D OE1 1 ATOM 5247 O OE2 . GLU D 4 102 ? -5.040 -50.094 -42.987 1.00 84.46 ? 103 GLU D OE2 1 ATOM 5248 N N . GLN D 4 103 ? -1.793 -50.104 -47.532 1.00 66.60 ? 106 GLN D N 1 ATOM 5249 C CA . GLN D 4 103 ? -0.444 -50.612 -47.298 1.00 63.91 ? 106 GLN D CA 1 ATOM 5250 C C . GLN D 4 103 ? -0.140 -50.705 -45.800 1.00 64.98 ? 106 GLN D C 1 ATOM 5251 O O . GLN D 4 103 ? -0.688 -49.940 -44.997 1.00 66.63 ? 106 GLN D O 1 ATOM 5252 C CB . GLN D 4 103 ? 0.599 -49.730 -47.992 1.00 60.21 ? 106 GLN D CB 1 ATOM 5253 C CG . GLN D 4 103 ? 0.576 -49.787 -49.515 1.00 59.39 ? 106 GLN D CG 1 ATOM 5254 C CD . GLN D 4 103 ? 1.744 -49.046 -50.158 1.00 56.73 ? 106 GLN D CD 1 ATOM 5255 O OE1 . GLN D 4 103 ? 2.846 -48.990 -49.606 1.00 55.11 ? 106 GLN D OE1 1 ATOM 5256 N NE2 . GLN D 4 103 ? 1.509 -48.484 -51.340 1.00 56.54 ? 106 GLN D NE2 1 ATOM 5257 N N . PHE D 4 104 ? 0.733 -51.644 -45.434 1.00 64.43 ? 107 PHE D N 1 ATOM 5258 C CA . PHE D 4 104 ? 1.168 -51.810 -44.047 1.00 65.52 ? 107 PHE D CA 1 ATOM 5259 C C . PHE D 4 104 ? 2.686 -51.656 -43.945 1.00 62.33 ? 107 PHE D C 1 ATOM 5260 O O . PHE D 4 104 ? 3.433 -52.364 -44.623 1.00 61.07 ? 107 PHE D O 1 ATOM 5261 C CB . PHE D 4 104 ? 0.717 -53.165 -43.501 1.00 69.61 ? 107 PHE D CB 1 ATOM 5262 C CG . PHE D 4 104 ? -0.760 -53.249 -43.214 1.00 73.76 ? 107 PHE D CG 1 ATOM 5263 C CD1 . PHE D 4 104 ? -1.241 -53.051 -41.922 1.00 77.40 ? 107 PHE D CD1 1 ATOM 5264 C CD2 . PHE D 4 104 ? -1.670 -53.539 -44.230 1.00 74.76 ? 107 PHE D CD2 1 ATOM 5265 C CE1 . PHE D 4 104 ? -2.607 -53.135 -41.646 1.00 81.80 ? 107 PHE D CE1 1 ATOM 5266 C CE2 . PHE D 4 104 ? -3.039 -53.623 -43.965 1.00 78.95 ? 107 PHE D CE2 1 ATOM 5267 C CZ . PHE D 4 104 ? -3.507 -53.422 -42.670 1.00 82.48 ? 107 PHE D CZ 1 ATOM 5268 N N . PHE D 4 105 ? 3.127 -50.739 -43.085 1.00 61.38 ? 108 PHE D N 1 ATOM 5269 C CA . PHE D 4 105 ? 4.520 -50.288 -43.059 1.00 58.35 ? 108 PHE D CA 1 ATOM 5270 C C . PHE D 4 105 ? 5.364 -50.887 -41.937 1.00 59.96 ? 108 PHE D C 1 ATOM 5271 O O . PHE D 4 105 ? 4.928 -50.966 -40.784 1.00 62.99 ? 108 PHE D O 1 ATOM 5272 C CB . PHE D 4 105 ? 4.573 -48.761 -42.976 1.00 56.92 ? 108 PHE D CB 1 ATOM 5273 C CG . PHE D 4 105 ? 4.043 -48.067 -44.194 1.00 54.79 ? 108 PHE D CG 1 ATOM 5274 C CD1 . PHE D 4 105 ? 2.672 -47.959 -44.413 1.00 56.31 ? 108 PHE D CD1 1 ATOM 5275 C CD2 . PHE D 4 105 ? 4.914 -47.512 -45.120 1.00 51.39 ? 108 PHE D CD2 1 ATOM 5276 C CE1 . PHE D 4 105 ? 2.180 -47.317 -45.543 1.00 55.21 ? 108 PHE D CE1 1 ATOM 5277 C CE2 . PHE D 4 105 ? 4.430 -46.867 -46.253 1.00 50.59 ? 108 PHE D CE2 1 ATOM 5278 C CZ . PHE D 4 105 ? 3.061 -46.768 -46.464 1.00 52.22 ? 108 PHE D CZ 1 ATOM 5279 N N . GLY D 4 106 ? 6.586 -51.280 -42.291 1.00 58.29 ? 109 GLY D N 1 ATOM 5280 C CA . GLY D 4 106 ? 7.534 -51.883 -41.354 1.00 60.06 ? 109 GLY D CA 1 ATOM 5281 C C . GLY D 4 106 ? 8.208 -50.865 -40.451 1.00 59.87 ? 109 GLY D C 1 ATOM 5282 O O . GLY D 4 106 ? 8.049 -49.659 -40.650 1.00 58.16 ? 109 GLY D O 1 ATOM 5283 N N . PRO D 4 107 ? 8.992 -51.343 -39.465 1.00 62.20 ? 110 PRO D N 1 ATOM 5284 C CA . PRO D 4 107 ? 9.507 -50.499 -38.382 1.00 63.27 ? 110 PRO D CA 1 ATOM 5285 C C . PRO D 4 107 ? 10.549 -49.478 -38.835 1.00 60.33 ? 110 PRO D C 1 ATOM 5286 O O . PRO D 4 107 ? 10.732 -48.455 -38.174 1.00 60.86 ? 110 PRO D O 1 ATOM 5287 C CB . PRO D 4 107 ? 10.142 -51.508 -37.413 1.00 66.98 ? 110 PRO D CB 1 ATOM 5288 C CG . PRO D 4 107 ? 9.792 -52.876 -37.940 1.00 68.17 ? 110 PRO D CG 1 ATOM 5289 C CD . PRO D 4 107 ? 9.547 -52.704 -39.396 1.00 64.32 ? 110 PRO D CD 1 ATOM 5290 N N . GLY D 4 108 ? 11.225 -49.762 -39.946 1.00 57.92 ? 111 GLY D N 1 ATOM 5291 C CA . GLY D 4 108 ? 12.234 -48.862 -40.497 1.00 55.59 ? 111 GLY D CA 1 ATOM 5292 C C . GLY D 4 108 ? 13.661 -49.337 -40.309 1.00 56.44 ? 111 GLY D C 1 ATOM 5293 O O . GLY D 4 108 ? 13.967 -50.062 -39.360 1.00 59.48 ? 111 GLY D O 1 ATOM 5294 N N . THR D 4 109 ? 14.534 -48.920 -41.223 1.00 54.42 ? 112 THR D N 1 ATOM 5295 C CA . THR D 4 109 ? 15.957 -49.232 -41.155 1.00 55.42 ? 112 THR D CA 1 ATOM 5296 C C . THR D 4 109 ? 16.781 -47.967 -41.332 1.00 54.49 ? 112 THR D C 1 ATOM 5297 O O . THR D 4 109 ? 16.697 -47.293 -42.360 1.00 52.38 ? 112 THR D O 1 ATOM 5298 C CB . THR D 4 109 ? 16.368 -50.272 -42.215 1.00 55.11 ? 112 THR D CB 1 ATOM 5299 O OG1 . THR D 4 109 ? 15.702 -51.508 -41.943 1.00 57.04 ? 112 THR D OG1 1 ATOM 5300 C CG2 . THR D 4 109 ? 17.878 -50.498 -42.201 1.00 56.41 ? 112 THR D CG2 1 ATOM 5301 N N . ARG D 4 110 ? 17.573 -47.659 -40.313 1.00 56.64 ? 113 ARG D N 1 ATOM 5302 C CA . ARG D 4 110 ? 18.451 -46.509 -40.332 1.00 56.71 ? 113 ARG D CA 1 ATOM 5303 C C . ARG D 4 110 ? 19.795 -46.959 -40.894 1.00 57.26 ? 113 ARG D C 1 ATOM 5304 O O . ARG D 4 110 ? 20.472 -47.804 -40.303 1.00 59.70 ? 113 ARG D O 1 ATOM 5305 C CB . ARG D 4 110 ? 18.598 -45.952 -38.917 1.00 59.49 ? 113 ARG D CB 1 ATOM 5306 C CG . ARG D 4 110 ? 18.627 -44.437 -38.837 1.00 60.36 ? 113 ARG D CG 1 ATOM 5307 C CD . ARG D 4 110 ? 18.660 -43.965 -37.390 1.00 64.84 ? 113 ARG D CD 1 ATOM 5308 N NE . ARG D 4 110 ? 18.753 -42.510 -37.283 1.00 66.65 ? 113 ARG D NE 1 ATOM 5309 C CZ . ARG D 4 110 ? 19.885 -41.810 -37.379 1.00 68.70 ? 113 ARG D CZ 1 ATOM 5310 N NH1 . ARG D 4 110 ? 21.047 -42.421 -37.602 1.00 69.36 ? 113 ARG D NH1 1 ATOM 5311 N NH2 . ARG D 4 110 ? 19.853 -40.487 -37.261 1.00 70.07 ? 113 ARG D NH2 1 ATOM 5312 N N . LEU D 4 111 ? 20.160 -46.412 -42.050 1.00 55.47 ? 114 LEU D N 1 ATOM 5313 C CA . LEU D 4 111 ? 21.403 -46.774 -42.725 1.00 56.31 ? 114 LEU D CA 1 ATOM 5314 C C . LEU D 4 111 ? 22.303 -45.559 -42.945 1.00 56.97 ? 114 LEU D C 1 ATOM 5315 O O . LEU D 4 111 ? 21.906 -44.600 -43.609 1.00 55.59 ? 114 LEU D O 1 ATOM 5316 C CB . LEU D 4 111 ? 21.106 -47.466 -44.061 1.00 54.73 ? 114 LEU D CB 1 ATOM 5317 C CG . LEU D 4 111 ? 22.271 -47.714 -45.034 1.00 56.25 ? 114 LEU D CG 1 ATOM 5318 C CD1 . LEU D 4 111 ? 23.278 -48.731 -44.487 1.00 59.44 ? 114 LEU D CD1 1 ATOM 5319 C CD2 . LEU D 4 111 ? 21.762 -48.143 -46.402 1.00 54.23 ? 114 LEU D CD2 1 ATOM 5320 N N . THR D 4 112 ? 23.511 -45.613 -42.383 1.00 59.53 ? 115 THR D N 1 ATOM 5321 C CA . THR D 4 112 ? 24.526 -44.587 -42.609 1.00 60.94 ? 115 THR D CA 1 ATOM 5322 C C . THR D 4 112 ? 25.660 -45.160 -43.450 1.00 62.60 ? 115 THR D C 1 ATOM 5323 O O . THR D 4 112 ? 26.226 -46.203 -43.110 1.00 64.67 ? 115 THR D O 1 ATOM 5324 C CB . THR D 4 112 ? 25.101 -44.038 -41.282 1.00 63.72 ? 115 THR D CB 1 ATOM 5325 O OG1 . THR D 4 112 ? 24.034 -43.597 -40.438 1.00 62.72 ? 115 THR D OG1 1 ATOM 5326 C CG2 . THR D 4 112 ? 26.038 -42.862 -41.536 1.00 65.76 ? 115 THR D CG2 1 ATOM 5327 N N . VAL D 4 113 ? 25.981 -44.481 -44.550 1.00 62.25 ? 116 VAL D N 1 ATOM 5328 C CA . VAL D 4 113 ? 27.107 -44.869 -45.404 1.00 64.35 ? 116 VAL D CA 1 ATOM 5329 C C . VAL D 4 113 ? 28.191 -43.793 -45.358 1.00 67.24 ? 116 VAL D C 1 ATOM 5330 O O . VAL D 4 113 ? 27.919 -42.611 -45.591 1.00 66.73 ? 116 VAL D O 1 ATOM 5331 C CB . VAL D 4 113 ? 26.669 -45.138 -46.862 1.00 62.79 ? 116 VAL D CB 1 ATOM 5332 C CG1 . VAL D 4 113 ? 27.848 -45.602 -47.703 1.00 66.06 ? 116 VAL D CG1 1 ATOM 5333 C CG2 . VAL D 4 113 ? 25.552 -46.177 -46.907 1.00 60.17 ? 116 VAL D CG2 1 ATOM 5334 N N . LEU D 4 114 ? 29.417 -44.216 -45.057 1.00 70.65 ? 117 LEU D N 1 ATOM 5335 C CA . LEU D 4 114 ? 30.530 -43.296 -44.830 1.00 74.29 ? 117 LEU D CA 1 ATOM 5336 C C . LEU D 4 114 ? 31.639 -43.414 -45.875 1.00 77.64 ? 117 LEU D C 1 ATOM 5337 O O . LEU D 4 114 ? 31.808 -44.464 -46.498 1.00 78.04 ? 117 LEU D O 1 ATOM 5338 C CB . LEU D 4 114 ? 31.115 -43.523 -43.435 1.00 76.85 ? 117 LEU D CB 1 ATOM 5339 C CG . LEU D 4 114 ? 30.180 -43.322 -42.242 1.00 74.76 ? 117 LEU D CG 1 ATOM 5340 C CD1 . LEU D 4 114 ? 30.762 -43.974 -41.001 1.00 77.72 ? 117 LEU D CD1 1 ATOM 5341 C CD2 . LEU D 4 114 ? 29.899 -41.842 -42.003 1.00 74.52 ? 117 LEU D CD2 1 ATOM 5342 N N . GLU D 4 115 ? 32.391 -42.327 -46.052 1.00 80.60 ? 118 GLU D N 1 ATOM 5343 C CA . GLU D 4 115 ? 33.530 -42.300 -46.971 1.00 84.86 ? 118 GLU D CA 1 ATOM 5344 C C . GLU D 4 115 ? 34.698 -43.130 -46.427 1.00 89.02 ? 118 GLU D C 1 ATOM 5345 O O . GLU D 4 115 ? 35.266 -43.959 -47.139 1.00 91.27 ? 118 GLU D O 1 ATOM 5346 C CB . GLU D 4 115 ? 33.965 -40.858 -47.250 1.00 87.59 ? 118 GLU D CB 1 ATOM 5347 N N . ASP D 4 116 ? 35.045 -42.900 -45.164 1.00 90.50 ? 119 ASP D N 1 ATOM 5348 C CA . ASP D 4 116 ? 36.044 -43.702 -44.467 1.00 94.53 ? 119 ASP D CA 1 ATOM 5349 C C . ASP D 4 116 ? 35.508 -44.118 -43.101 1.00 92.81 ? 119 ASP D C 1 ATOM 5350 O O . ASP D 4 116 ? 34.719 -43.396 -42.491 1.00 90.07 ? 119 ASP D O 1 ATOM 5351 C CB . ASP D 4 116 ? 37.354 -42.922 -44.311 1.00 100.45 ? 119 ASP D CB 1 ATOM 5352 N N . LEU D 4 117 ? 35.936 -45.286 -42.631 1.00 80.79 ? 120 LEU D N 1 ATOM 5353 C CA . LEU D 4 117 ? 35.562 -45.772 -41.304 1.00 77.79 ? 120 LEU D CA 1 ATOM 5354 C C . LEU D 4 117 ? 36.581 -45.366 -40.239 1.00 77.74 ? 120 LEU D C 1 ATOM 5355 O O . LEU D 4 117 ? 36.448 -45.752 -39.078 1.00 75.89 ? 120 LEU D O 1 ATOM 5356 C CB . LEU D 4 117 ? 35.404 -47.297 -41.307 1.00 78.26 ? 120 LEU D CB 1 ATOM 5357 C CG . LEU D 4 117 ? 34.380 -47.974 -42.220 1.00 78.58 ? 120 LEU D CG 1 ATOM 5358 C CD1 . LEU D 4 117 ? 34.613 -49.473 -42.203 1.00 80.44 ? 120 LEU D CD1 1 ATOM 5359 C CD2 . LEU D 4 117 ? 32.950 -47.651 -41.818 1.00 75.48 ? 120 LEU D CD2 1 ATOM 5360 N N . LYS D 4 118 ? 37.589 -44.591 -40.637 1.00 80.23 ? 121 LYS D N 1 ATOM 5361 C CA . LYS D 4 118 ? 38.660 -44.159 -39.732 1.00 81.17 ? 121 LYS D CA 1 ATOM 5362 C C . LYS D 4 118 ? 38.166 -43.310 -38.555 1.00 78.35 ? 121 LYS D C 1 ATOM 5363 O O . LYS D 4 118 ? 38.798 -43.283 -37.497 1.00 78.47 ? 121 LYS D O 1 ATOM 5364 C CB . LYS D 4 118 ? 39.747 -43.402 -40.504 1.00 84.99 ? 121 LYS D CB 1 ATOM 5365 C CG . LYS D 4 118 ? 40.740 -44.294 -41.240 1.00 88.62 ? 121 LYS D CG 1 ATOM 5366 N N . ASN D 4 119 ? 37.039 -42.630 -38.740 1.00 76.30 ? 122 ASN D N 1 ATOM 5367 C CA . ASN D 4 119 ? 36.495 -41.744 -37.711 1.00 73.95 ? 122 ASN D CA 1 ATOM 5368 C C . ASN D 4 119 ? 35.402 -42.379 -36.840 1.00 70.44 ? 122 ASN D C 1 ATOM 5369 O O . ASN D 4 119 ? 34.736 -41.679 -36.066 1.00 68.33 ? 122 ASN D O 1 ATOM 5370 C CB . ASN D 4 119 ? 35.978 -40.447 -38.350 1.00 74.63 ? 122 ASN D CB 1 ATOM 5371 C CG . ASN D 4 119 ? 37.036 -39.735 -39.178 0.70 78.76 ? 122 ASN D CG 1 ATOM 5372 O OD1 . ASN D 4 119 ? 36.864 -39.538 -40.380 0.70 80.83 ? 122 ASN D OD1 1 ATOM 5373 N ND2 . ASN D 4 119 ? 38.136 -39.346 -38.539 0.70 80.64 ? 122 ASN D ND2 1 ATOM 5374 N N . VAL D 4 120 ? 35.230 -43.698 -36.960 1.00 70.21 ? 123 VAL D N 1 ATOM 5375 C CA . VAL D 4 120 ? 34.175 -44.426 -36.241 1.00 67.50 ? 123 VAL D CA 1 ATOM 5376 C C . VAL D 4 120 ? 34.602 -44.776 -34.816 1.00 66.57 ? 123 VAL D C 1 ATOM 5377 O O . VAL D 4 120 ? 35.576 -45.502 -34.613 1.00 68.55 ? 123 VAL D O 1 ATOM 5378 C CB . VAL D 4 120 ? 33.730 -45.705 -37.006 1.00 68.38 ? 123 VAL D CB 1 ATOM 5379 C CG1 . VAL D 4 120 ? 32.728 -46.519 -36.190 1.00 66.26 ? 123 VAL D CG1 1 ATOM 5380 C CG2 . VAL D 4 120 ? 33.129 -45.338 -38.353 1.00 69.39 ? 123 VAL D CG2 1 ATOM 5381 N N . PHE D 4 121 ? 33.859 -44.248 -33.843 1.00 63.99 ? 124 PHE D N 1 ATOM 5382 C CA . PHE D 4 121 ? 34.158 -44.414 -32.418 1.00 63.09 ? 124 PHE D CA 1 ATOM 5383 C C . PHE D 4 121 ? 32.929 -44.856 -31.615 1.00 60.46 ? 124 PHE D C 1 ATOM 5384 O O . PHE D 4 121 ? 31.815 -44.404 -31.888 1.00 58.71 ? 124 PHE D O 1 ATOM 5385 C CB . PHE D 4 121 ? 34.675 -43.101 -31.821 1.00 63.04 ? 124 PHE D CB 1 ATOM 5386 C CG . PHE D 4 121 ? 36.090 -42.771 -32.191 1.00 66.26 ? 124 PHE D CG 1 ATOM 5387 C CD1 . PHE D 4 121 ? 37.157 -43.325 -31.486 1.00 68.50 ? 124 PHE D CD1 1 ATOM 5388 C CD2 . PHE D 4 121 ? 36.362 -41.879 -33.223 1.00 67.96 ? 124 PHE D CD2 1 ATOM 5389 C CE1 . PHE D 4 121 ? 38.476 -43.012 -31.815 1.00 72.11 ? 124 PHE D CE1 1 ATOM 5390 C CE2 . PHE D 4 121 ? 37.677 -41.555 -33.560 1.00 71.68 ? 124 PHE D CE2 1 ATOM 5391 C CZ . PHE D 4 121 ? 38.736 -42.125 -32.855 1.00 73.73 ? 124 PHE D CZ 1 ATOM 5392 N N . PRO D 4 122 ? 33.132 -45.727 -30.610 1.00 60.58 ? 125 PRO D N 1 ATOM 5393 C CA . PRO D 4 122 ? 32.067 -46.083 -29.677 1.00 58.55 ? 125 PRO D CA 1 ATOM 5394 C C . PRO D 4 122 ? 31.849 -44.966 -28.642 1.00 56.81 ? 125 PRO D C 1 ATOM 5395 O O . PRO D 4 122 ? 32.706 -44.085 -28.508 1.00 57.75 ? 125 PRO D O 1 ATOM 5396 C CB . PRO D 4 122 ? 32.618 -47.337 -28.999 1.00 60.26 ? 125 PRO D CB 1 ATOM 5397 C CG . PRO D 4 122 ? 34.089 -47.139 -29.009 1.00 62.69 ? 125 PRO D CG 1 ATOM 5398 C CD . PRO D 4 122 ? 34.385 -46.446 -30.307 1.00 63.32 ? 125 PRO D CD 1 ATOM 5399 N N . PRO D 4 123 ? 30.715 -44.997 -27.911 1.00 54.70 ? 126 PRO D N 1 ATOM 5400 C CA . PRO D 4 123 ? 30.461 -43.979 -26.894 1.00 53.11 ? 126 PRO D CA 1 ATOM 5401 C C . PRO D 4 123 ? 31.163 -44.241 -25.562 1.00 53.81 ? 126 PRO D C 1 ATOM 5402 O O . PRO D 4 123 ? 31.369 -45.398 -25.182 1.00 54.96 ? 126 PRO D O 1 ATOM 5403 C CB . PRO D 4 123 ? 28.947 -44.059 -26.700 1.00 51.08 ? 126 PRO D CB 1 ATOM 5404 C CG . PRO D 4 123 ? 28.614 -45.465 -26.999 1.00 51.74 ? 126 PRO D CG 1 ATOM 5405 C CD . PRO D 4 123 ? 29.567 -45.909 -28.067 1.00 54.00 ? 126 PRO D CD 1 ATOM 5406 N N . GLU D 4 124 ? 31.534 -43.158 -24.880 1.00 53.73 ? 127 GLU D N 1 ATOM 5407 C CA . GLU D 4 124 ? 31.990 -43.201 -23.488 1.00 54.23 ? 127 GLU D CA 1 ATOM 5408 C C . GLU D 4 124 ? 30.754 -42.971 -22.618 1.00 51.75 ? 127 GLU D C 1 ATOM 5409 O O . GLU D 4 124 ? 30.029 -41.993 -22.815 1.00 50.30 ? 127 GLU D O 1 ATOM 5410 C CB . GLU D 4 124 ? 33.036 -42.111 -23.215 1.00 55.66 ? 127 GLU D CB 1 ATOM 5411 C CG . GLU D 4 124 ? 34.213 -42.067 -24.198 1.00 58.60 ? 127 GLU D CG 1 ATOM 5412 C CD . GLU D 4 124 ? 35.491 -42.694 -23.652 0.70 61.96 ? 127 GLU D CD 1 ATOM 5413 O OE1 . GLU D 4 124 ? 35.800 -42.509 -22.456 0.70 62.60 ? 127 GLU D OE1 1 ATOM 5414 O OE2 . GLU D 4 124 ? 36.204 -43.359 -24.433 0.70 64.34 ? 127 GLU D OE2 1 ATOM 5415 N N . VAL D 4 125 ? 30.499 -43.873 -21.674 1.00 51.69 ? 128 VAL D N 1 ATOM 5416 C CA . VAL D 4 125 ? 29.283 -43.785 -20.862 1.00 49.59 ? 128 VAL D CA 1 ATOM 5417 C C . VAL D 4 125 ? 29.572 -43.499 -19.387 1.00 49.83 ? 128 VAL D C 1 ATOM 5418 O O . VAL D 4 125 ? 30.422 -44.142 -18.768 1.00 51.81 ? 128 VAL D O 1 ATOM 5419 C CB . VAL D 4 125 ? 28.394 -45.043 -21.005 1.00 49.44 ? 128 VAL D CB 1 ATOM 5420 C CG1 . VAL D 4 125 ? 27.056 -44.827 -20.326 1.00 47.82 ? 128 VAL D CG1 1 ATOM 5421 C CG2 . VAL D 4 125 ? 28.166 -45.365 -22.466 1.00 49.63 ? 128 VAL D CG2 1 ATOM 5422 N N . ALA D 4 126 ? 28.853 -42.517 -18.846 1.00 48.17 ? 129 ALA D N 1 ATOM 5423 C CA . ALA D 4 126 ? 28.960 -42.132 -17.442 1.00 48.26 ? 129 ALA D CA 1 ATOM 5424 C C . ALA D 4 126 ? 27.585 -41.834 -16.837 1.00 46.26 ? 129 ALA D C 1 ATOM 5425 O O . ALA D 4 126 ? 26.757 -41.150 -17.454 1.00 45.00 ? 129 ALA D O 1 ATOM 5426 C CB . ALA D 4 126 ? 29.879 -40.935 -17.294 1.00 49.20 ? 129 ALA D CB 1 ATOM 5427 N N . VAL D 4 127 ? 27.345 -42.363 -15.637 1.00 46.40 ? 130 VAL D N 1 ATOM 5428 C CA . VAL D 4 127 ? 26.155 -42.026 -14.855 1.00 44.72 ? 130 VAL D CA 1 ATOM 5429 C C . VAL D 4 127 ? 26.523 -40.941 -13.850 1.00 44.70 ? 130 VAL D C 1 ATOM 5430 O O . VAL D 4 127 ? 27.586 -40.996 -13.239 1.00 46.60 ? 130 VAL D O 1 ATOM 5431 C CB . VAL D 4 127 ? 25.584 -43.260 -14.107 1.00 45.35 ? 130 VAL D CB 1 ATOM 5432 C CG1 . VAL D 4 127 ? 24.467 -42.856 -13.147 1.00 44.28 ? 130 VAL D CG1 1 ATOM 5433 C CG2 . VAL D 4 127 ? 25.067 -44.289 -15.091 1.00 45.54 ? 130 VAL D CG2 1 ATOM 5434 N N . PHE D 4 128 ? 25.647 -39.959 -13.680 1.00 43.07 ? 131 PHE D N 1 ATOM 5435 C CA . PHE D 4 128 ? 25.855 -38.916 -12.681 1.00 43.47 ? 131 PHE D CA 1 ATOM 5436 C C . PHE D 4 128 ? 24.805 -39.013 -11.575 1.00 42.85 ? 131 PHE D C 1 ATOM 5437 O O . PHE D 4 128 ? 23.605 -38.932 -11.846 1.00 41.79 ? 131 PHE D O 1 ATOM 5438 C CB . PHE D 4 128 ? 25.850 -37.531 -13.339 1.00 43.21 ? 131 PHE D CB 1 ATOM 5439 C CG . PHE D 4 128 ? 27.025 -37.287 -14.247 1.00 43.93 ? 131 PHE D CG 1 ATOM 5440 C CD1 . PHE D 4 128 ? 27.051 -37.814 -15.534 1.00 43.05 ? 131 PHE D CD1 1 ATOM 5441 C CD2 . PHE D 4 128 ? 28.108 -36.537 -13.812 1.00 45.73 ? 131 PHE D CD2 1 ATOM 5442 C CE1 . PHE D 4 128 ? 28.135 -37.596 -16.371 1.00 44.23 ? 131 PHE D CE1 1 ATOM 5443 C CE2 . PHE D 4 128 ? 29.199 -36.313 -14.644 1.00 47.20 ? 131 PHE D CE2 1 ATOM 5444 C CZ . PHE D 4 128 ? 29.211 -36.845 -15.925 1.00 46.57 ? 131 PHE D CZ 1 ATOM 5445 N N . GLU D 4 129 ? 25.268 -39.194 -10.339 1.00 43.98 ? 132 GLU D N 1 ATOM 5446 C CA . GLU D 4 129 ? 24.389 -39.392 -9.181 1.00 43.73 ? 132 GLU D CA 1 ATOM 5447 C C . GLU D 4 129 ? 23.664 -38.104 -8.772 1.00 43.01 ? 132 GLU D C 1 ATOM 5448 O O . GLU D 4 129 ? 24.210 -37.011 -8.935 1.00 43.70 ? 132 GLU D O 1 ATOM 5449 C CB . GLU D 4 129 ? 25.184 -39.945 -7.990 1.00 45.95 ? 132 GLU D CB 1 ATOM 5450 C CG . GLU D 4 129 ? 25.822 -41.320 -8.217 1.00 47.17 ? 132 GLU D CG 1 ATOM 5451 C CD . GLU D 4 129 ? 26.630 -41.793 -7.022 0.70 49.71 ? 132 GLU D CD 1 ATOM 5452 O OE1 . GLU D 4 129 ? 26.027 -42.077 -5.968 0.70 50.28 ? 132 GLU D OE1 1 ATOM 5453 O OE2 . GLU D 4 129 ? 27.869 -41.890 -7.134 0.70 51.70 ? 132 GLU D OE2 1 ATOM 5454 N N . PRO D 4 130 ? 22.433 -38.230 -8.232 1.00 42.15 ? 133 PRO D N 1 ATOM 5455 C CA . PRO D 4 130 ? 21.600 -37.094 -7.811 1.00 41.83 ? 133 PRO D CA 1 ATOM 5456 C C . PRO D 4 130 ? 22.267 -36.211 -6.769 1.00 43.21 ? 133 PRO D C 1 ATOM 5457 O O . PRO D 4 130 ? 23.093 -36.688 -5.998 1.00 44.57 ? 133 PRO D O 1 ATOM 5458 C CB . PRO D 4 130 ? 20.381 -37.769 -7.181 1.00 41.52 ? 133 PRO D CB 1 ATOM 5459 C CG . PRO D 4 130 ? 20.335 -39.105 -7.776 1.00 41.33 ? 133 PRO D CG 1 ATOM 5460 C CD . PRO D 4 130 ? 21.742 -39.512 -8.020 1.00 42.03 ? 133 PRO D CD 1 ATOM 5461 N N . SER D 4 131 ? 21.898 -34.935 -6.738 1.00 43.48 ? 134 SER D N 1 ATOM 5462 C CA . SER D 4 131 ? 22.482 -34.008 -5.777 1.00 45.39 ? 134 SER D CA 1 ATOM 5463 C C . SER D 4 131 ? 21.646 -33.906 -4.504 1.00 46.01 ? 134 SER D C 1 ATOM 5464 O O . SER D 4 131 ? 20.414 -33.879 -4.559 1.00 45.13 ? 134 SER D O 1 ATOM 5465 C CB . SER D 4 131 ? 22.664 -32.626 -6.401 1.00 46.20 ? 134 SER D CB 1 ATOM 5466 O OG . SER D 4 131 ? 21.417 -31.999 -6.612 1.00 45.85 ? 134 SER D OG 1 ATOM 5467 N N . GLU D 4 132 ? 22.331 -33.847 -3.362 1.00 47.99 ? 135 GLU D N 1 ATOM 5468 C CA . GLU D 4 132 ? 21.684 -33.711 -2.055 1.00 49.00 ? 135 GLU D CA 1 ATOM 5469 C C . GLU D 4 132 ? 20.625 -32.608 -2.059 1.00 48.94 ? 135 GLU D C 1 ATOM 5470 O O . GLU D 4 132 ? 19.478 -32.844 -1.664 1.00 48.59 ? 135 GLU D O 1 ATOM 5471 C CB . GLU D 4 132 ? 22.725 -33.444 -0.961 1.00 51.57 ? 135 GLU D CB 1 ATOM 5472 N N . ALA D 4 133 ? 21.016 -31.421 -2.528 1.00 49.76 ? 136 ALA D N 1 ATOM 5473 C CA . ALA D 4 133 ? 20.124 -30.263 -2.632 1.00 50.32 ? 136 ALA D CA 1 ATOM 5474 C C . ALA D 4 133 ? 18.786 -30.573 -3.315 1.00 48.73 ? 136 ALA D C 1 ATOM 5475 O O . ALA D 4 133 ? 17.733 -30.162 -2.824 1.00 49.37 ? 136 ALA D O 1 ATOM 5476 C CB . ALA D 4 133 ? 20.828 -29.123 -3.341 1.00 51.85 ? 136 ALA D CB 1 ATOM 5477 N N . GLU D 4 134 ? 18.831 -31.294 -4.438 1.00 46.98 ? 137 GLU D N 1 ATOM 5478 C CA . GLU D 4 134 ? 17.614 -31.699 -5.140 1.00 45.71 ? 137 GLU D CA 1 ATOM 5479 C C . GLU D 4 134 ? 16.813 -32.666 -4.280 1.00 45.18 ? 137 GLU D C 1 ATOM 5480 O O . GLU D 4 134 ? 15.602 -32.511 -4.150 1.00 45.73 ? 137 GLU D O 1 ATOM 5481 C CB . GLU D 4 134 ? 17.921 -32.320 -6.511 1.00 44.38 ? 137 GLU D CB 1 ATOM 5482 C CG . GLU D 4 134 ? 16.676 -32.533 -7.399 1.00 44.12 ? 137 GLU D CG 1 ATOM 5483 C CD . GLU D 4 134 ? 16.720 -33.804 -8.273 1.00 42.84 ? 137 GLU D CD 1 ATOM 5484 O OE1 . GLU D 4 134 ? 17.694 -34.586 -8.197 1.00 42.63 ? 137 GLU D OE1 1 ATOM 5485 O OE2 . GLU D 4 134 ? 15.757 -34.029 -9.035 1.00 41.94 ? 137 GLU D OE2 1 ATOM 5486 N N . ILE D 4 135 ? 17.493 -33.652 -3.690 1.00 44.73 ? 138 ILE D N 1 ATOM 5487 C CA . ILE D 4 135 ? 16.833 -34.656 -2.845 1.00 44.68 ? 138 ILE D CA 1 ATOM 5488 C C . ILE D 4 135 ? 16.099 -33.982 -1.685 1.00 45.93 ? 138 ILE D C 1 ATOM 5489 O O . ILE D 4 135 ? 14.949 -34.314 -1.391 1.00 46.30 ? 138 ILE D O 1 ATOM 5490 C CB . ILE D 4 135 ? 17.830 -35.724 -2.312 1.00 44.99 ? 138 ILE D CB 1 ATOM 5491 C CG1 . ILE D 4 135 ? 18.311 -36.631 -3.452 1.00 43.99 ? 138 ILE D CG1 1 ATOM 5492 C CG2 . ILE D 4 135 ? 17.183 -36.580 -1.227 1.00 45.83 ? 138 ILE D CG2 1 ATOM 5493 C CD1 . ILE D 4 135 ? 19.625 -37.351 -3.175 1.00 44.11 ? 138 ILE D CD1 1 ATOM 5494 N N . SER D 4 136 ? 16.761 -33.014 -1.058 1.00 46.77 ? 139 SER D N 1 ATOM 5495 C CA . SER D 4 136 ? 16.203 -32.303 0.083 1.00 48.08 ? 139 SER D CA 1 ATOM 5496 C C . SER D 4 136 ? 15.052 -31.380 -0.297 1.00 48.48 ? 139 SER D C 1 ATOM 5497 O O . SER D 4 136 ? 14.157 -31.155 0.511 1.00 49.77 ? 139 SER D O 1 ATOM 5498 C CB . SER D 4 136 ? 17.293 -31.495 0.783 1.00 49.66 ? 139 SER D CB 1 ATOM 5499 O OG . SER D 4 136 ? 18.463 -32.275 0.942 1.00 49.86 ? 139 SER D OG 1 ATOM 5500 N N . HIS D 4 137 ? 15.074 -30.855 -1.520 1.00 47.83 ? 140 HIS D N 1 ATOM 5501 C CA . HIS D 4 137 ? 14.136 -29.802 -1.924 1.00 49.07 ? 140 HIS D CA 1 ATOM 5502 C C . HIS D 4 137 ? 12.866 -30.309 -2.599 1.00 48.72 ? 140 HIS D C 1 ATOM 5503 O O . HIS D 4 137 ? 11.808 -29.688 -2.496 1.00 50.30 ? 140 HIS D O 1 ATOM 5504 C CB . HIS D 4 137 ? 14.837 -28.776 -2.821 1.00 49.77 ? 140 HIS D CB 1 ATOM 5505 C CG . HIS D 4 137 ? 13.965 -27.627 -3.222 1.00 51.72 ? 140 HIS D CG 1 ATOM 5506 N ND1 . HIS D 4 137 ? 13.294 -26.846 -2.306 1.00 53.37 ? 140 HIS D ND1 1 ATOM 5507 C CD2 . HIS D 4 137 ? 13.657 -27.125 -4.441 1.00 52.30 ? 140 HIS D CD2 1 ATOM 5508 C CE1 . HIS D 4 137 ? 12.602 -25.921 -2.945 1.00 55.76 ? 140 HIS D CE1 1 ATOM 5509 N NE2 . HIS D 4 137 ? 12.809 -26.065 -4.241 1.00 54.76 ? 140 HIS D NE2 1 ATOM 5510 N N . THR D 4 138 ? 12.980 -31.441 -3.283 1.00 47.21 ? 141 THR D N 1 ATOM 5511 C CA . THR D 4 138 ? 11.890 -31.983 -4.086 1.00 47.28 ? 141 THR D CA 1 ATOM 5512 C C . THR D 4 138 ? 11.418 -33.334 -3.577 1.00 46.93 ? 141 THR D C 1 ATOM 5513 O O . THR D 4 138 ? 10.342 -33.800 -3.954 1.00 47.75 ? 141 THR D O 1 ATOM 5514 C CB . THR D 4 138 ? 12.319 -32.162 -5.557 1.00 46.18 ? 141 THR D CB 1 ATOM 5515 O OG1 . THR D 4 138 ? 13.354 -33.148 -5.633 1.00 43.82 ? 141 THR D OG1 1 ATOM 5516 C CG2 . THR D 4 138 ? 12.813 -30.832 -6.158 1.00 47.23 ? 141 THR D CG2 1 ATOM 5517 N N . GLN D 4 139 ? 12.229 -33.956 -2.723 1.00 46.48 ? 142 GLN D N 1 ATOM 5518 C CA . GLN D 4 139 ? 12.054 -35.362 -2.330 1.00 46.67 ? 142 GLN D CA 1 ATOM 5519 C C . GLN D 4 139 ? 11.965 -36.287 -3.559 1.00 45.91 ? 142 GLN D C 1 ATOM 5520 O O . GLN D 4 139 ? 11.255 -37.299 -3.558 1.00 46.64 ? 142 GLN D O 1 ATOM 5521 C CB . GLN D 4 139 ? 10.875 -35.545 -1.359 1.00 48.37 ? 142 GLN D CB 1 ATOM 5522 C CG . GLN D 4 139 ? 10.984 -34.710 -0.080 1.00 49.81 ? 142 GLN D CG 1 ATOM 5523 C CD . GLN D 4 139 ? 12.264 -34.973 0.706 0.70 49.56 ? 142 GLN D CD 1 ATOM 5524 O OE1 . GLN D 4 139 ? 12.460 -36.054 1.264 0.70 49.76 ? 142 GLN D OE1 1 ATOM 5525 N NE2 . GLN D 4 139 ? 13.134 -33.974 0.760 0.70 49.56 ? 142 GLN D NE2 1 ATOM 5526 N N . LYS D 4 140 ? 12.700 -35.902 -4.603 1.00 44.93 ? 143 LYS D N 1 ATOM 5527 C CA . LYS D 4 140 ? 12.860 -36.678 -5.831 1.00 44.16 ? 143 LYS D CA 1 ATOM 5528 C C . LYS D 4 140 ? 14.333 -36.624 -6.243 1.00 43.08 ? 143 LYS D C 1 ATOM 5529 O O . LYS D 4 140 ? 15.032 -35.646 -5.957 1.00 43.08 ? 143 LYS D O 1 ATOM 5530 C CB . LYS D 4 140 ? 11.980 -36.123 -6.957 1.00 44.64 ? 143 LYS D CB 1 ATOM 5531 C CG . LYS D 4 140 ? 10.470 -36.242 -6.727 1.00 46.45 ? 143 LYS D CG 1 ATOM 5532 C CD . LYS D 4 140 ? 9.657 -35.587 -7.851 1.00 47.63 ? 143 LYS D CD 1 ATOM 5533 C CE . LYS D 4 140 ? 9.795 -34.052 -7.870 1.00 48.51 ? 143 LYS D CE 1 ATOM 5534 N NZ . LYS D 4 140 ? 9.064 -33.345 -6.769 1.00 49.27 ? 143 LYS D NZ 1 ATOM 5535 N N . ALA D 4 141 ? 14.798 -37.677 -6.909 1.00 42.59 ? 144 ALA D N 1 ATOM 5536 C CA . ALA D 4 141 ? 16.203 -37.802 -7.281 1.00 42.00 ? 144 ALA D CA 1 ATOM 5537 C C . ALA D 4 141 ? 16.361 -38.019 -8.780 1.00 41.52 ? 144 ALA D C 1 ATOM 5538 O O . ALA D 4 141 ? 15.776 -38.955 -9.333 1.00 42.00 ? 144 ALA D O 1 ATOM 5539 C CB . ALA D 4 141 ? 16.835 -38.949 -6.514 1.00 42.43 ? 144 ALA D CB 1 ATOM 5540 N N . THR D 4 142 ? 17.149 -37.164 -9.432 1.00 41.12 ? 145 THR D N 1 ATOM 5541 C CA . THR D 4 142 ? 17.401 -37.297 -10.871 1.00 40.88 ? 145 THR D CA 1 ATOM 5542 C C . THR D 4 142 ? 18.796 -37.869 -11.135 1.00 40.53 ? 145 THR D C 1 ATOM 5543 O O . THR D 4 142 ? 19.778 -37.428 -10.541 1.00 40.87 ? 145 THR D O 1 ATOM 5544 C CB . THR D 4 142 ? 17.254 -35.944 -11.622 1.00 41.51 ? 145 THR D CB 1 ATOM 5545 O OG1 . THR D 4 142 ? 16.128 -35.216 -11.117 1.00 42.87 ? 145 THR D OG1 1 ATOM 5546 C CG2 . THR D 4 142 ? 17.066 -36.168 -13.118 1.00 41.39 ? 145 THR D CG2 1 ATOM 5547 N N . LEU D 4 143 ? 18.870 -38.853 -12.027 1.00 40.29 ? 146 LEU D N 1 ATOM 5548 C CA . LEU D 4 143 ? 20.139 -39.443 -12.441 1.00 40.25 ? 146 LEU D CA 1 ATOM 5549 C C . LEU D 4 143 ? 20.354 -39.164 -13.915 1.00 40.07 ? 146 LEU D C 1 ATOM 5550 O O . LEU D 4 143 ? 19.493 -39.481 -14.742 1.00 40.16 ? 146 LEU D O 1 ATOM 5551 C CB . LEU D 4 143 ? 20.139 -40.956 -12.222 1.00 40.81 ? 146 LEU D CB 1 ATOM 5552 C CG . LEU D 4 143 ? 20.102 -41.495 -10.798 1.00 41.79 ? 146 LEU D CG 1 ATOM 5553 C CD1 . LEU D 4 143 ? 18.710 -41.334 -10.193 1.00 41.60 ? 146 LEU D CD1 1 ATOM 5554 C CD2 . LEU D 4 143 ? 20.525 -42.959 -10.808 1.00 43.24 ? 146 LEU D CD2 1 ATOM 5555 N N . VAL D 4 144 ? 21.504 -38.581 -14.240 1.00 40.13 ? 147 VAL D N 1 ATOM 5556 C CA . VAL D 4 144 ? 21.806 -38.192 -15.612 1.00 40.08 ? 147 VAL D CA 1 ATOM 5557 C C . VAL D 4 144 ? 22.823 -39.147 -16.220 1.00 40.57 ? 147 VAL D C 1 ATOM 5558 O O . VAL D 4 144 ? 23.845 -39.445 -15.609 1.00 41.34 ? 147 VAL D O 1 ATOM 5559 C CB . VAL D 4 144 ? 22.307 -36.733 -15.678 1.00 40.57 ? 147 VAL D CB 1 ATOM 5560 C CG1 . VAL D 4 144 ? 22.784 -36.375 -17.076 1.00 40.94 ? 147 VAL D CG1 1 ATOM 5561 C CG2 . VAL D 4 144 ? 21.206 -35.796 -15.242 1.00 40.41 ? 147 VAL D CG2 1 ATOM 5562 N N . CYS D 4 145 ? 22.519 -39.640 -17.415 1.00 40.78 ? 148 CYS D N 1 ATOM 5563 C CA . CYS D 4 145 ? 23.456 -40.456 -18.178 1.00 41.62 ? 148 CYS D CA 1 ATOM 5564 C C . CYS D 4 145 ? 24.040 -39.643 -19.328 1.00 42.30 ? 148 CYS D C 1 ATOM 5565 O O . CYS D 4 145 ? 23.321 -38.898 -20.000 1.00 42.37 ? 148 CYS D O 1 ATOM 5566 C CB . CYS D 4 145 ? 22.778 -41.715 -18.718 1.00 41.55 ? 148 CYS D CB 1 ATOM 5567 S SG . CYS D 4 145 ? 23.951 -42.935 -19.326 1.00 43.12 ? 148 CYS D SG 1 ATOM 5568 N N . LEU D 4 146 ? 25.342 -39.796 -19.553 1.00 43.32 ? 149 LEU D N 1 ATOM 5569 C CA . LEU D 4 146 ? 26.031 -39.054 -20.598 1.00 44.40 ? 149 LEU D CA 1 ATOM 5570 C C . LEU D 4 146 ? 26.854 -39.988 -21.489 1.00 45.54 ? 149 LEU D C 1 ATOM 5571 O O . LEU D 4 146 ? 27.971 -40.382 -21.132 1.00 46.80 ? 149 LEU D O 1 ATOM 5572 C CB . LEU D 4 146 ? 26.932 -37.995 -19.963 1.00 45.43 ? 149 LEU D CB 1 ATOM 5573 C CG . LEU D 4 146 ? 26.985 -36.594 -20.566 1.00 46.52 ? 149 LEU D CG 1 ATOM 5574 C CD1 . LEU D 4 146 ? 25.700 -35.869 -20.254 1.00 45.96 ? 149 LEU D CD1 1 ATOM 5575 C CD2 . LEU D 4 146 ? 28.164 -35.813 -20.003 1.00 48.24 ? 149 LEU D CD2 1 ATOM 5576 N N . ALA D 4 147 ? 26.287 -40.358 -22.638 1.00 45.44 ? 150 ALA D N 1 ATOM 5577 C CA . ALA D 4 147 ? 27.027 -41.093 -23.664 1.00 46.46 ? 150 ALA D CA 1 ATOM 5578 C C . ALA D 4 147 ? 27.727 -40.084 -24.582 1.00 47.62 ? 150 ALA D C 1 ATOM 5579 O O . ALA D 4 147 ? 27.074 -39.212 -25.166 1.00 47.63 ? 150 ALA D O 1 ATOM 5580 C CB . ALA D 4 147 ? 26.095 -42.008 -24.453 1.00 46.19 ? 150 ALA D CB 1 ATOM 5581 N N . THR D 4 148 ? 29.052 -40.193 -24.692 1.00 48.95 ? 151 THR D N 1 ATOM 5582 C CA . THR D 4 148 ? 29.858 -39.175 -25.374 1.00 50.53 ? 151 THR D CA 1 ATOM 5583 C C . THR D 4 148 ? 30.924 -39.734 -26.318 1.00 52.45 ? 151 THR D C 1 ATOM 5584 O O . THR D 4 148 ? 31.479 -40.806 -26.088 1.00 52.96 ? 151 THR D O 1 ATOM 5585 C CB . THR D 4 148 ? 30.584 -38.250 -24.363 1.00 51.35 ? 151 THR D CB 1 ATOM 5586 O OG1 . THR D 4 148 ? 31.453 -39.031 -23.536 1.00 51.89 ? 151 THR D OG1 1 ATOM 5587 C CG2 . THR D 4 148 ? 29.596 -37.496 -23.486 1.00 49.88 ? 151 THR D CG2 1 ATOM 5588 N N . GLY D 4 149 ? 31.210 -38.977 -27.373 1.00 53.97 ? 152 GLY D N 1 ATOM 5589 C CA . GLY D 4 149 ? 32.343 -39.245 -28.256 1.00 56.31 ? 152 GLY D CA 1 ATOM 5590 C C . GLY D 4 149 ? 32.156 -40.372 -29.253 1.00 56.37 ? 152 GLY D C 1 ATOM 5591 O O . GLY D 4 149 ? 33.118 -41.065 -29.592 1.00 58.34 ? 152 GLY D O 1 ATOM 5592 N N . PHE D 4 150 ? 30.929 -40.550 -29.734 1.00 54.69 ? 153 PHE D N 1 ATOM 5593 C CA . PHE D 4 150 ? 30.636 -41.609 -30.690 1.00 54.87 ? 153 PHE D CA 1 ATOM 5594 C C . PHE D 4 150 ? 30.401 -41.071 -32.101 1.00 56.39 ? 153 PHE D C 1 ATOM 5595 O O . PHE D 4 150 ? 30.040 -39.908 -32.277 1.00 56.63 ? 153 PHE D O 1 ATOM 5596 C CB . PHE D 4 150 ? 29.458 -42.475 -30.213 1.00 52.92 ? 153 PHE D CB 1 ATOM 5597 C CG . PHE D 4 150 ? 28.170 -41.715 -30.004 1.00 50.99 ? 153 PHE D CG 1 ATOM 5598 C CD1 . PHE D 4 150 ? 27.884 -41.125 -28.777 1.00 49.06 ? 153 PHE D CD1 1 ATOM 5599 C CD2 . PHE D 4 150 ? 27.228 -41.616 -31.025 1.00 51.43 ? 153 PHE D CD2 1 ATOM 5600 C CE1 . PHE D 4 150 ? 26.695 -40.429 -28.578 1.00 47.61 ? 153 PHE D CE1 1 ATOM 5601 C CE2 . PHE D 4 150 ? 26.034 -40.924 -30.832 1.00 50.08 ? 153 PHE D CE2 1 ATOM 5602 C CZ . PHE D 4 150 ? 25.769 -40.331 -29.607 1.00 48.32 ? 153 PHE D CZ 1 ATOM 5603 N N . TYR D 4 151 ? 30.633 -41.931 -33.094 1.00 57.85 ? 154 TYR D N 1 ATOM 5604 C CA . TYR D 4 151 ? 30.376 -41.631 -34.504 1.00 59.61 ? 154 TYR D CA 1 ATOM 5605 C C . TYR D 4 151 ? 30.166 -42.938 -35.271 1.00 60.58 ? 154 TYR D C 1 ATOM 5606 O O . TYR D 4 151 ? 30.989 -43.846 -35.171 1.00 61.40 ? 154 TYR D O 1 ATOM 5607 C CB . TYR D 4 151 ? 31.546 -40.858 -35.107 1.00 61.95 ? 154 TYR D CB 1 ATOM 5608 C CG . TYR D 4 151 ? 31.275 -40.260 -36.470 1.00 63.96 ? 154 TYR D CG 1 ATOM 5609 C CD1 . TYR D 4 151 ? 30.834 -38.947 -36.595 1.00 64.49 ? 154 TYR D CD1 1 ATOM 5610 C CD2 . TYR D 4 151 ? 31.479 -40.999 -37.635 1.00 65.65 ? 154 TYR D CD2 1 ATOM 5611 C CE1 . TYR D 4 151 ? 30.593 -38.384 -37.843 1.00 66.88 ? 154 TYR D CE1 1 ATOM 5612 C CE2 . TYR D 4 151 ? 31.239 -40.446 -38.890 1.00 67.67 ? 154 TYR D CE2 1 ATOM 5613 C CZ . TYR D 4 151 ? 30.796 -39.139 -38.985 1.00 68.35 ? 154 TYR D CZ 1 ATOM 5614 O OH . TYR D 4 151 ? 30.557 -38.581 -40.220 1.00 70.96 ? 154 TYR D OH 1 ATOM 5615 N N . PRO D 4 152 ? 29.062 -43.048 -36.034 1.00 61.05 ? 155 PRO D N 1 ATOM 5616 C CA . PRO D 4 152 ? 28.005 -42.064 -36.247 1.00 61.11 ? 155 PRO D CA 1 ATOM 5617 C C . PRO D 4 152 ? 26.901 -42.168 -35.193 1.00 59.11 ? 155 PRO D C 1 ATOM 5618 O O . PRO D 4 152 ? 27.029 -42.939 -34.242 1.00 57.65 ? 155 PRO D O 1 ATOM 5619 C CB . PRO D 4 152 ? 27.466 -42.434 -37.630 1.00 63.33 ? 155 PRO D CB 1 ATOM 5620 C CG . PRO D 4 152 ? 27.807 -43.899 -37.812 1.00 63.61 ? 155 PRO D CG 1 ATOM 5621 C CD . PRO D 4 152 ? 28.761 -44.313 -36.723 1.00 62.12 ? 155 PRO D CD 1 ATOM 5622 N N . ASP D 4 153 ? 25.821 -41.412 -35.369 1.00 59.67 ? 156 ASP D N 1 ATOM 5623 C CA . ASP D 4 153 ? 24.817 -41.265 -34.312 1.00 58.22 ? 156 ASP D CA 1 ATOM 5624 C C . ASP D 4 153 ? 23.806 -42.413 -34.193 1.00 58.00 ? 156 ASP D C 1 ATOM 5625 O O . ASP D 4 153 ? 22.629 -42.194 -33.885 1.00 57.84 ? 156 ASP D O 1 ATOM 5626 C CB . ASP D 4 153 ? 24.112 -39.905 -34.419 1.00 59.05 ? 156 ASP D CB 1 ATOM 5627 C CG . ASP D 4 153 ? 23.263 -39.782 -35.659 1.00 62.18 ? 156 ASP D CG 1 ATOM 5628 O OD1 . ASP D 4 153 ? 23.642 -40.352 -36.706 1.00 64.49 ? 156 ASP D OD1 1 ATOM 5629 O OD2 . ASP D 4 153 ? 22.212 -39.109 -35.582 1.00 63.87 ? 156 ASP D OD2 1 ATOM 5630 N N . HIS D 4 154 ? 24.287 -43.635 -34.409 1.00 58.50 ? 157 HIS D N 1 ATOM 5631 C CA . HIS D 4 154 ? 23.488 -44.837 -34.210 1.00 58.81 ? 157 HIS D CA 1 ATOM 5632 C C . HIS D 4 154 ? 23.583 -45.342 -32.776 1.00 56.88 ? 157 HIS D C 1 ATOM 5633 O O . HIS D 4 154 ? 24.376 -46.240 -32.485 1.00 57.14 ? 157 HIS D O 1 ATOM 5634 C CB . HIS D 4 154 ? 23.947 -45.937 -35.162 1.00 60.97 ? 157 HIS D CB 1 ATOM 5635 C CG . HIS D 4 154 ? 23.460 -45.765 -36.564 1.00 63.92 ? 157 HIS D CG 1 ATOM 5636 N ND1 . HIS D 4 154 ? 22.557 -46.627 -37.147 1.00 66.42 ? 157 HIS D ND1 1 ATOM 5637 C CD2 . HIS D 4 154 ? 23.749 -44.831 -37.500 1.00 65.54 ? 157 HIS D CD2 1 ATOM 5638 C CE1 . HIS D 4 154 ? 22.313 -46.232 -38.383 1.00 69.14 ? 157 HIS D CE1 1 ATOM 5639 N NE2 . HIS D 4 154 ? 23.023 -45.145 -38.622 1.00 68.70 ? 157 HIS D NE2 1 ATOM 5640 N N . VAL D 4 155 ? 22.779 -44.767 -31.884 1.00 55.40 ? 158 VAL D N 1 ATOM 5641 C CA . VAL D 4 155 ? 22.721 -45.230 -30.491 1.00 53.86 ? 158 VAL D CA 1 ATOM 5642 C C . VAL D 4 155 ? 21.292 -45.494 -29.999 1.00 53.87 ? 158 VAL D C 1 ATOM 5643 O O . VAL D 4 155 ? 20.358 -44.770 -30.359 1.00 54.37 ? 158 VAL D O 1 ATOM 5644 C CB . VAL D 4 155 ? 23.443 -44.262 -29.508 1.00 52.01 ? 158 VAL D CB 1 ATOM 5645 C CG1 . VAL D 4 155 ? 24.955 -44.330 -29.688 1.00 52.24 ? 158 VAL D CG1 1 ATOM 5646 C CG2 . VAL D 4 155 ? 22.933 -42.831 -29.664 1.00 51.80 ? 158 VAL D CG2 1 ATOM 5647 N N . GLU D 4 156 ? 21.140 -46.541 -29.185 1.00 53.80 ? 159 GLU D N 1 ATOM 5648 C CA . GLU D 4 156 ? 19.875 -46.854 -28.507 1.00 53.89 ? 159 GLU D CA 1 ATOM 5649 C C . GLU D 4 156 ? 20.090 -46.924 -26.992 1.00 52.13 ? 159 GLU D C 1 ATOM 5650 O O . GLU D 4 156 ? 20.647 -47.900 -26.473 1.00 52.57 ? 159 GLU D O 1 ATOM 5651 C CB . GLU D 4 156 ? 19.281 -48.172 -29.012 1.00 56.41 ? 159 GLU D CB 1 ATOM 5652 C CG . GLU D 4 156 ? 18.768 -48.142 -30.446 1.00 58.91 ? 159 GLU D CG 1 ATOM 5653 C CD . GLU D 4 156 ? 18.335 -49.520 -30.953 0.70 62.17 ? 159 GLU D CD 1 ATOM 5654 O OE1 . GLU D 4 156 ? 18.888 -50.543 -30.488 0.70 62.42 ? 159 GLU D OE1 1 ATOM 5655 O OE2 . GLU D 4 156 ? 17.440 -49.579 -31.825 0.70 64.49 ? 159 GLU D OE2 1 ATOM 5656 N N . LEU D 4 157 ? 19.646 -45.881 -26.293 1.00 50.39 ? 160 LEU D N 1 ATOM 5657 C CA . LEU D 4 157 ? 19.834 -45.776 -24.844 1.00 48.68 ? 160 LEU D CA 1 ATOM 5658 C C . LEU D 4 157 ? 18.679 -46.409 -24.061 1.00 49.13 ? 160 LEU D C 1 ATOM 5659 O O . LEU D 4 157 ? 17.517 -46.270 -24.439 1.00 50.29 ? 160 LEU D O 1 ATOM 5660 C CB . LEU D 4 157 ? 20.013 -44.312 -24.445 1.00 46.92 ? 160 LEU D CB 1 ATOM 5661 C CG . LEU D 4 157 ? 20.700 -44.038 -23.107 1.00 45.91 ? 160 LEU D CG 1 ATOM 5662 C CD1 . LEU D 4 157 ? 21.429 -42.698 -23.150 1.00 45.67 ? 160 LEU D CD1 1 ATOM 5663 C CD2 . LEU D 4 157 ? 19.713 -44.092 -21.942 1.00 45.43 ? 160 LEU D CD2 1 ATOM 5664 N N . SER D 4 158 ? 19.011 -47.102 -22.973 1.00 48.68 ? 161 SER D N 1 ATOM 5665 C CA . SER D 4 158 ? 18.017 -47.746 -22.117 1.00 49.38 ? 161 SER D CA 1 ATOM 5666 C C . SER D 4 158 ? 18.475 -47.788 -20.665 1.00 48.29 ? 161 SER D C 1 ATOM 5667 O O . SER D 4 158 ? 19.611 -48.169 -20.377 1.00 48.39 ? 161 SER D O 1 ATOM 5668 C CB . SER D 4 158 ? 17.705 -49.164 -22.613 1.00 52.36 ? 161 SER D CB 1 ATOM 5669 O OG . SER D 4 158 ? 18.878 -49.962 -22.698 1.00 53.40 ? 161 SER D OG 1 ATOM 5670 N N . TRP D 4 159 ? 17.587 -47.382 -19.761 1.00 47.59 ? 162 TRP D N 1 ATOM 5671 C CA . TRP D 4 159 ? 17.848 -47.419 -18.320 1.00 46.72 ? 162 TRP D CA 1 ATOM 5672 C C . TRP D 4 159 ? 17.429 -48.763 -17.724 1.00 49.08 ? 162 TRP D C 1 ATOM 5673 O O . TRP D 4 159 ? 16.388 -49.315 -18.082 1.00 50.83 ? 162 TRP D O 1 ATOM 5674 C CB . TRP D 4 159 ? 17.094 -46.305 -17.605 1.00 45.12 ? 162 TRP D CB 1 ATOM 5675 C CG . TRP D 4 159 ? 17.674 -44.934 -17.762 1.00 42.96 ? 162 TRP D CG 1 ATOM 5676 C CD1 . TRP D 4 159 ? 17.291 -43.981 -18.661 1.00 42.47 ? 162 TRP D CD1 1 ATOM 5677 C CD2 . TRP D 4 159 ? 18.704 -44.338 -16.963 1.00 41.43 ? 162 TRP D CD2 1 ATOM 5678 N NE1 . TRP D 4 159 ? 18.024 -42.832 -18.481 1.00 40.78 ? 162 TRP D NE1 1 ATOM 5679 C CE2 . TRP D 4 159 ? 18.901 -43.024 -17.447 1.00 40.20 ? 162 TRP D CE2 1 ATOM 5680 C CE3 . TRP D 4 159 ? 19.486 -44.788 -15.892 1.00 41.44 ? 162 TRP D CE3 1 ATOM 5681 C CZ2 . TRP D 4 159 ? 19.851 -42.159 -16.902 1.00 39.18 ? 162 TRP D CZ2 1 ATOM 5682 C CZ3 . TRP D 4 159 ? 20.428 -43.927 -15.349 1.00 40.52 ? 162 TRP D CZ3 1 ATOM 5683 C CH2 . TRP D 4 159 ? 20.603 -42.625 -15.856 1.00 39.69 ? 162 TRP D CH2 1 ATOM 5684 N N . TRP D 4 160 ? 18.237 -49.270 -16.799 1.00 49.53 ? 163 TRP D N 1 ATOM 5685 C CA . TRP D 4 160 ? 17.985 -50.564 -16.178 1.00 52.38 ? 163 TRP D CA 1 ATOM 5686 C C . TRP D 4 160 ? 18.062 -50.513 -14.648 1.00 52.58 ? 163 TRP D C 1 ATOM 5687 O O . TRP D 4 160 ? 19.141 -50.343 -14.068 1.00 52.08 ? 163 TRP D O 1 ATOM 5688 C CB . TRP D 4 160 ? 18.942 -51.619 -16.750 1.00 54.54 ? 163 TRP D CB 1 ATOM 5689 C CG . TRP D 4 160 ? 18.685 -51.926 -18.199 1.00 55.16 ? 163 TRP D CG 1 ATOM 5690 C CD1 . TRP D 4 160 ? 19.047 -51.167 -19.275 1.00 52.89 ? 163 TRP D CD1 1 ATOM 5691 C CD2 . TRP D 4 160 ? 18.006 -53.074 -18.728 1.00 58.41 ? 163 TRP D CD2 1 ATOM 5692 N NE1 . TRP D 4 160 ? 18.635 -51.767 -20.439 1.00 54.82 ? 163 TRP D NE1 1 ATOM 5693 C CE2 . TRP D 4 160 ? 17.994 -52.940 -20.134 1.00 58.16 ? 163 TRP D CE2 1 ATOM 5694 C CE3 . TRP D 4 160 ? 17.409 -54.202 -18.152 1.00 62.42 ? 163 TRP D CE3 1 ATOM 5695 C CZ2 . TRP D 4 160 ? 17.409 -53.896 -20.978 1.00 61.71 ? 163 TRP D CZ2 1 ATOM 5696 C CZ3 . TRP D 4 160 ? 16.822 -55.159 -18.995 1.00 66.05 ? 163 TRP D CZ3 1 ATOM 5697 C CH2 . TRP D 4 160 ? 16.829 -54.995 -20.391 1.00 65.36 ? 163 TRP D CH2 1 ATOM 5698 N N . VAL D 4 161 ? 16.906 -50.658 -14.004 1.00 53.61 ? 164 VAL D N 1 ATOM 5699 C CA . VAL D 4 161 ? 16.826 -50.671 -12.542 1.00 54.34 ? 164 VAL D CA 1 ATOM 5700 C C . VAL D 4 161 ? 16.598 -52.084 -12.010 1.00 58.58 ? 164 VAL D C 1 ATOM 5701 O O . VAL D 4 161 ? 15.559 -52.698 -12.268 1.00 60.70 ? 164 VAL D O 1 ATOM 5702 C CB . VAL D 4 161 ? 15.724 -49.722 -12.018 1.00 52.80 ? 164 VAL D CB 1 ATOM 5703 C CG1 . VAL D 4 161 ? 15.624 -49.796 -10.497 1.00 53.65 ? 164 VAL D CG1 1 ATOM 5704 C CG2 . VAL D 4 161 ? 15.995 -48.290 -12.469 1.00 49.46 ? 164 VAL D CG2 1 ATOM 5705 N N . ASN D 4 162 ? 17.590 -52.586 -11.275 1.00 60.34 ? 165 ASN D N 1 ATOM 5706 C CA . ASN D 4 162 ? 17.541 -53.906 -10.631 1.00 65.22 ? 165 ASN D CA 1 ATOM 5707 C C . ASN D 4 162 ? 17.544 -55.124 -11.562 1.00 68.57 ? 165 ASN D C 1 ATOM 5708 O O . ASN D 4 162 ? 17.512 -56.258 -11.090 1.00 72.98 ? 165 ASN D O 1 ATOM 5709 C CB . ASN D 4 162 ? 16.368 -53.998 -9.643 1.00 66.78 ? 165 ASN D CB 1 ATOM 5710 C CG . ASN D 4 162 ? 16.650 -53.297 -8.330 1.00 65.83 ? 165 ASN D CG 1 ATOM 5711 O OD1 . ASN D 4 162 ? 17.803 -53.054 -7.969 1.00 65.52 ? 165 ASN D OD1 1 ATOM 5712 N ND2 . ASN D 4 162 ? 15.592 -52.978 -7.598 1.00 66.19 ? 165 ASN D ND2 1 ATOM 5713 N N . GLY D 4 163 ? 17.595 -54.889 -12.871 1.00 66.92 ? 166 GLY D N 1 ATOM 5714 C CA . GLY D 4 163 ? 17.609 -55.977 -13.849 1.00 70.21 ? 166 GLY D CA 1 ATOM 5715 C C . GLY D 4 163 ? 16.459 -55.924 -14.839 1.00 70.17 ? 166 GLY D C 1 ATOM 5716 O O . GLY D 4 163 ? 16.353 -56.774 -15.728 1.00 72.83 ? 166 GLY D O 1 ATOM 5717 N N . LYS D 4 164 ? 15.592 -54.927 -14.679 1.00 67.50 ? 167 LYS D N 1 ATOM 5718 C CA . LYS D 4 164 ? 14.483 -54.707 -15.599 1.00 67.53 ? 167 LYS D CA 1 ATOM 5719 C C . LYS D 4 164 ? 14.498 -53.265 -16.105 1.00 62.99 ? 167 LYS D C 1 ATOM 5720 O O . LYS D 4 164 ? 14.684 -52.329 -15.327 1.00 60.22 ? 167 LYS D O 1 ATOM 5721 C CB . LYS D 4 164 ? 13.145 -55.045 -14.931 1.00 70.23 ? 167 LYS D CB 1 ATOM 5722 N N . GLU D 4 165 ? 14.309 -53.108 -17.413 1.00 62.74 ? 168 GLU D N 1 ATOM 5723 C CA . GLU D 4 165 ? 14.330 -51.806 -18.078 1.00 59.38 ? 168 GLU D CA 1 ATOM 5724 C C . GLU D 4 165 ? 13.096 -50.972 -17.735 1.00 58.87 ? 168 GLU D C 1 ATOM 5725 O O . GLU D 4 165 ? 11.970 -51.475 -17.772 1.00 61.70 ? 168 GLU D O 1 ATOM 5726 C CB . GLU D 4 165 ? 14.431 -52.004 -19.593 1.00 60.12 ? 168 GLU D CB 1 ATOM 5727 C CG . GLU D 4 165 ? 14.487 -50.718 -20.419 1.00 57.48 ? 168 GLU D CG 1 ATOM 5728 C CD . GLU D 4 165 ? 14.332 -50.968 -21.915 1.00 59.25 ? 168 GLU D CD 1 ATOM 5729 O OE1 . GLU D 4 165 ? 14.437 -52.139 -22.348 1.00 61.68 ? 168 GLU D OE1 1 ATOM 5730 O OE2 . GLU D 4 165 ? 14.105 -49.988 -22.657 1.00 58.01 ? 168 GLU D OE2 1 ATOM 5731 N N . VAL D 4 166 ? 13.312 -49.700 -17.405 1.00 55.66 ? 169 VAL D N 1 ATOM 5732 C CA . VAL D 4 166 ? 12.203 -48.804 -17.074 1.00 55.41 ? 169 VAL D CA 1 ATOM 5733 C C . VAL D 4 166 ? 11.975 -47.726 -18.128 1.00 54.19 ? 169 VAL D C 1 ATOM 5734 O O . VAL D 4 166 ? 12.917 -47.258 -18.761 1.00 52.34 ? 169 VAL D O 1 ATOM 5735 C CB . VAL D 4 166 ? 12.355 -48.154 -15.670 1.00 53.73 ? 169 VAL D CB 1 ATOM 5736 C CG1 . VAL D 4 166 ? 12.195 -49.202 -14.576 1.00 56.12 ? 169 VAL D CG1 1 ATOM 5737 C CG2 . VAL D 4 166 ? 13.684 -47.407 -15.532 1.00 50.79 ? 169 VAL D CG2 1 ATOM 5738 N N . HIS D 4 167 ? 10.713 -47.353 -18.314 1.00 55.99 ? 170 HIS D N 1 ATOM 5739 C CA . HIS D 4 167 ? 10.343 -46.250 -19.199 1.00 55.79 ? 170 HIS D CA 1 ATOM 5740 C C . HIS D 4 167 ? 9.737 -45.099 -18.388 1.00 55.09 ? 170 HIS D C 1 ATOM 5741 O O . HIS D 4 167 ? 9.832 -43.931 -18.775 1.00 53.98 ? 170 HIS D O 1 ATOM 5742 C CB . HIS D 4 167 ? 9.383 -46.729 -20.292 1.00 59.20 ? 170 HIS D CB 1 ATOM 5743 C CG . HIS D 4 167 ? 9.972 -47.765 -21.204 1.00 60.64 ? 170 HIS D CG 1 ATOM 5744 N ND1 . HIS D 4 167 ? 9.569 -49.085 -21.193 1.00 63.85 ? 170 HIS D ND1 1 ATOM 5745 C CD2 . HIS D 4 167 ? 10.937 -47.676 -22.151 1.00 59.40 ? 170 HIS D CD2 1 ATOM 5746 C CE1 . HIS D 4 167 ? 10.258 -49.763 -22.094 1.00 64.16 ? 170 HIS D CE1 1 ATOM 5747 N NE2 . HIS D 4 167 ? 11.094 -48.931 -22.690 1.00 61.47 ? 170 HIS D NE2 1 ATOM 5748 N N . SER D 4 168 ? 9.133 -45.446 -17.253 1.00 56.07 ? 171 SER D N 1 ATOM 5749 C CA . SER D 4 168 ? 8.595 -44.475 -16.309 1.00 55.57 ? 171 SER D CA 1 ATOM 5750 C C . SER D 4 168 ? 9.724 -43.662 -15.673 1.00 52.30 ? 171 SER D C 1 ATOM 5751 O O . SER D 4 168 ? 10.677 -44.228 -15.130 1.00 51.07 ? 171 SER D O 1 ATOM 5752 C CB . SER D 4 168 ? 7.787 -45.198 -15.228 1.00 57.60 ? 171 SER D CB 1 ATOM 5753 O OG . SER D 4 168 ? 7.219 -44.289 -14.305 1.00 57.24 ? 171 SER D OG 1 ATOM 5754 N N . GLY D 4 169 ? 9.613 -42.337 -15.753 1.00 51.50 ? 172 GLY D N 1 ATOM 5755 C CA . GLY D 4 169 ? 10.608 -41.429 -15.173 1.00 48.90 ? 172 GLY D CA 1 ATOM 5756 C C . GLY D 4 169 ? 11.756 -41.084 -16.110 1.00 47.35 ? 172 GLY D C 1 ATOM 5757 O O . GLY D 4 169 ? 12.544 -40.175 -15.838 1.00 45.77 ? 172 GLY D O 1 ATOM 5758 N N . VAL D 4 170 ? 11.839 -41.812 -17.220 1.00 48.13 ? 173 VAL D N 1 ATOM 5759 C CA . VAL D 4 170 ? 12.916 -41.660 -18.192 1.00 46.83 ? 173 VAL D CA 1 ATOM 5760 C C . VAL D 4 170 ? 12.558 -40.631 -19.258 1.00 47.77 ? 173 VAL D C 1 ATOM 5761 O O . VAL D 4 170 ? 11.398 -40.507 -19.657 1.00 49.99 ? 173 VAL D O 1 ATOM 5762 C CB . VAL D 4 170 ? 13.244 -43.021 -18.870 1.00 47.47 ? 173 VAL D CB 1 ATOM 5763 C CG1 . VAL D 4 170 ? 14.254 -42.857 -20.002 1.00 46.56 ? 173 VAL D CG1 1 ATOM 5764 C CG2 . VAL D 4 170 ? 13.754 -44.018 -17.845 1.00 46.95 ? 173 VAL D CG2 1 ATOM 5765 N N . CYS D 4 171 ? 13.564 -39.887 -19.699 1.00 46.56 ? 174 CYS D N 1 ATOM 5766 C CA . CYS D 4 171 ? 13.466 -39.086 -20.903 1.00 48.09 ? 174 CYS D CA 1 ATOM 5767 C C . CYS D 4 171 ? 14.858 -38.983 -21.510 1.00 46.94 ? 174 CYS D C 1 ATOM 5768 O O . CYS D 4 171 ? 15.843 -38.772 -20.797 1.00 45.44 ? 174 CYS D O 1 ATOM 5769 C CB . CYS D 4 171 ? 12.875 -37.704 -20.603 1.00 49.30 ? 174 CYS D CB 1 ATOM 5770 S SG . CYS D 4 171 ? 14.010 -36.278 -20.666 1.00 49.33 ? 174 CYS D SG 1 ATOM 5771 N N . THR D 4 172 ? 14.939 -39.155 -22.823 1.00 48.26 ? 175 THR D N 1 ATOM 5772 C CA . THR D 4 172 ? 16.207 -39.087 -23.538 1.00 47.71 ? 175 THR D CA 1 ATOM 5773 C C . THR D 4 172 ? 16.145 -37.947 -24.544 1.00 49.68 ? 175 THR D C 1 ATOM 5774 O O . THR D 4 172 ? 15.062 -37.585 -25.006 1.00 51.98 ? 175 THR D O 1 ATOM 5775 C CB . THR D 4 172 ? 16.508 -40.420 -24.261 1.00 47.85 ? 175 THR D CB 1 ATOM 5776 O OG1 . THR D 4 172 ? 16.353 -41.511 -23.344 1.00 46.92 ? 175 THR D OG1 1 ATOM 5777 C CG2 . THR D 4 172 ? 17.926 -40.437 -24.811 1.00 47.36 ? 175 THR D CG2 1 ATOM 5778 N N . ASP D 4 173 ? 17.299 -37.372 -24.869 1.00 49.56 ? 176 ASP D N 1 ATOM 5779 C CA . ASP D 4 173 ? 17.375 -36.324 -25.883 1.00 52.09 ? 176 ASP D CA 1 ATOM 5780 C C . ASP D 4 173 ? 16.812 -36.813 -27.221 1.00 54.29 ? 176 ASP D C 1 ATOM 5781 O O . ASP D 4 173 ? 17.069 -37.953 -27.627 1.00 53.69 ? 176 ASP D O 1 ATOM 5782 C CB . ASP D 4 173 ? 18.822 -35.862 -26.071 1.00 51.78 ? 176 ASP D CB 1 ATOM 5783 C CG . ASP D 4 173 ? 19.351 -35.071 -24.889 1.00 51.29 ? 176 ASP D CG 1 ATOM 5784 O OD1 . ASP D 4 173 ? 18.563 -34.363 -24.216 1.00 52.36 ? 176 ASP D OD1 1 ATOM 5785 O OD2 . ASP D 4 173 ? 20.574 -35.149 -24.647 1.00 50.73 ? 176 ASP D OD2 1 ATOM 5786 N N . PRO D 4 174 ? 16.039 -35.954 -27.909 1.00 57.30 ? 177 PRO D N 1 ATOM 5787 C CA . PRO D 4 174 ? 15.481 -36.324 -29.208 1.00 60.01 ? 177 PRO D CA 1 ATOM 5788 C C . PRO D 4 174 ? 16.573 -36.474 -30.263 1.00 60.39 ? 177 PRO D C 1 ATOM 5789 O O . PRO D 4 174 ? 16.415 -37.246 -31.209 1.00 61.71 ? 177 PRO D O 1 ATOM 5790 C CB . PRO D 4 174 ? 14.571 -35.139 -29.558 1.00 63.52 ? 177 PRO D CB 1 ATOM 5791 C CG . PRO D 4 174 ? 14.353 -34.410 -28.276 1.00 62.44 ? 177 PRO D CG 1 ATOM 5792 C CD . PRO D 4 174 ? 15.613 -34.606 -27.498 1.00 59.01 ? 177 PRO D CD 1 ATOM 5793 N N . GLN D 4 175 ? 17.668 -35.739 -30.098 1.00 59.67 ? 178 GLN D N 1 ATOM 5794 C CA . GLN D 4 175 ? 18.790 -35.803 -31.030 1.00 60.31 ? 178 GLN D CA 1 ATOM 5795 C C . GLN D 4 175 ? 20.124 -35.631 -30.300 1.00 58.09 ? 178 GLN D C 1 ATOM 5796 O O . GLN D 4 175 ? 20.191 -34.928 -29.291 1.00 57.54 ? 178 GLN D O 1 ATOM 5797 C CB . GLN D 4 175 ? 18.634 -34.755 -32.141 1.00 64.15 ? 178 GLN D CB 1 ATOM 5798 C CG . GLN D 4 175 ? 18.550 -33.310 -31.652 1.00 66.29 ? 178 GLN D CG 1 ATOM 5799 C CD . GLN D 4 175 ? 18.367 -32.323 -32.789 1.00 71.78 ? 178 GLN D CD 1 ATOM 5800 O OE1 . GLN D 4 175 ? 17.292 -32.235 -33.388 1.00 74.82 ? 178 GLN D OE1 1 ATOM 5801 N NE2 . GLN D 4 175 ? 19.418 -31.568 -33.089 1.00 73.38 ? 178 GLN D NE2 1 ATOM 5802 N N . PRO D 4 176 ? 21.190 -36.283 -30.796 1.00 57.34 ? 179 PRO D N 1 ATOM 5803 C CA . PRO D 4 176 ? 22.496 -36.040 -30.197 1.00 56.08 ? 179 PRO D CA 1 ATOM 5804 C C . PRO D 4 176 ? 23.017 -34.669 -30.613 1.00 58.43 ? 179 PRO D C 1 ATOM 5805 O O . PRO D 4 176 ? 22.589 -34.141 -31.636 1.00 61.18 ? 179 PRO D O 1 ATOM 5806 C CB . PRO D 4 176 ? 23.363 -37.148 -30.795 1.00 55.69 ? 179 PRO D CB 1 ATOM 5807 C CG . PRO D 4 176 ? 22.725 -37.464 -32.096 1.00 57.66 ? 179 PRO D CG 1 ATOM 5808 C CD . PRO D 4 176 ? 21.257 -37.268 -31.894 1.00 58.16 ? 179 PRO D CD 1 ATOM 5809 N N . LEU D 4 177 ? 23.919 -34.090 -29.830 1.00 57.93 ? 180 LEU D N 1 ATOM 5810 C CA . LEU D 4 177 ? 24.521 -32.822 -30.225 1.00 60.88 ? 180 LEU D CA 1 ATOM 5811 C C . LEU D 4 177 ? 25.975 -33.004 -30.669 1.00 61.63 ? 180 LEU D C 1 ATOM 5812 O O . LEU D 4 177 ? 26.689 -33.877 -30.165 1.00 59.53 ? 180 LEU D O 1 ATOM 5813 C CB . LEU D 4 177 ? 24.377 -31.759 -29.122 1.00 61.23 ? 180 LEU D CB 1 ATOM 5814 C CG . LEU D 4 177 ? 25.409 -31.593 -28.000 1.00 60.32 ? 180 LEU D CG 1 ATOM 5815 C CD1 . LEU D 4 177 ? 25.152 -30.300 -27.239 1.00 61.83 ? 180 LEU D CD1 1 ATOM 5816 C CD2 . LEU D 4 177 ? 25.421 -32.780 -27.052 1.00 56.98 ? 180 LEU D CD2 1 ATOM 5817 N N . LYS D 4 178 ? 26.392 -32.181 -31.630 1.00 65.04 ? 181 LYS D N 1 ATOM 5818 C CA . LYS D 4 178 ? 27.749 -32.227 -32.167 1.00 66.58 ? 181 LYS D CA 1 ATOM 5819 C C . LYS D 4 178 ? 28.749 -31.642 -31.171 1.00 66.95 ? 181 LYS D C 1 ATOM 5820 O O . LYS D 4 178 ? 28.619 -30.487 -30.754 1.00 68.79 ? 181 LYS D O 1 ATOM 5821 C CB . LYS D 4 178 ? 27.822 -31.483 -33.504 1.00 70.61 ? 181 LYS D CB 1 ATOM 5822 N N . GLU D 4 179 ? 29.735 -32.451 -30.786 1.00 65.63 ? 182 GLU D N 1 ATOM 5823 C CA . GLU D 4 179 ? 30.774 -32.026 -29.847 1.00 66.48 ? 182 GLU D CA 1 ATOM 5824 C C . GLU D 4 179 ? 31.692 -30.958 -30.450 1.00 70.90 ? 182 GLU D C 1 ATOM 5825 O O . GLU D 4 179 ? 32.233 -30.119 -29.729 1.00 72.81 ? 182 GLU D O 1 ATOM 5826 C CB . GLU D 4 179 ? 31.573 -33.228 -29.330 1.00 64.66 ? 182 GLU D CB 1 ATOM 5827 C CG . GLU D 4 179 ? 30.789 -34.103 -28.344 1.00 61.41 ? 182 GLU D CG 1 ATOM 5828 C CD . GLU D 4 179 ? 31.518 -35.383 -27.922 1.00 60.74 ? 182 GLU D CD 1 ATOM 5829 O OE1 . GLU D 4 179 ? 32.604 -35.687 -28.470 1.00 62.96 ? 182 GLU D OE1 1 ATOM 5830 O OE2 . GLU D 4 179 ? 30.991 -36.092 -27.035 1.00 57.86 ? 182 GLU D OE2 1 ATOM 5831 N N . GLN D 4 180 ? 31.863 -30.991 -31.769 1.00 72.98 ? 183 GLN D N 1 ATOM 5832 C CA . GLN D 4 180 ? 32.540 -29.913 -32.489 1.00 77.70 ? 183 GLN D CA 1 ATOM 5833 C C . GLN D 4 180 ? 31.717 -29.523 -33.727 1.00 79.70 ? 183 GLN D C 1 ATOM 5834 O O . GLN D 4 180 ? 31.980 -30.009 -34.828 1.00 80.73 ? 183 GLN D O 1 ATOM 5835 C CB . GLN D 4 180 ? 33.980 -30.300 -32.859 1.00 79.68 ? 183 GLN D CB 1 ATOM 5836 C CG . GLN D 4 180 ? 34.858 -30.714 -31.672 1.00 78.49 ? 183 GLN D CG 1 ATOM 5837 C CD . GLN D 4 180 ? 36.234 -30.061 -31.677 0.70 83.10 ? 183 GLN D CD 1 ATOM 5838 O OE1 . GLN D 4 180 ? 36.659 -29.473 -32.673 0.70 86.97 ? 183 GLN D OE1 1 ATOM 5839 N NE2 . GLN D 4 180 ? 36.935 -30.159 -30.552 0.70 82.96 ? 183 GLN D NE2 1 ATOM 5840 N N . PRO D 4 181 ? 30.718 -28.633 -33.544 1.00 80.65 ? 184 PRO D N 1 ATOM 5841 C CA . PRO D 4 181 ? 29.715 -28.291 -34.564 1.00 82.61 ? 184 PRO D CA 1 ATOM 5842 C C . PRO D 4 181 ? 30.286 -27.705 -35.856 1.00 87.64 ? 184 PRO D C 1 ATOM 5843 O O . PRO D 4 181 ? 29.625 -27.765 -36.898 1.00 89.26 ? 184 PRO D O 1 ATOM 5844 C CB . PRO D 4 181 ? 28.843 -27.245 -33.861 1.00 83.67 ? 184 PRO D CB 1 ATOM 5845 C CG . PRO D 4 181 ? 29.725 -26.655 -32.828 1.00 84.40 ? 184 PRO D CG 1 ATOM 5846 C CD . PRO D 4 181 ? 30.554 -27.804 -32.337 1.00 80.75 ? 184 PRO D CD 1 ATOM 5847 N N . ALA D 4 182 ? 31.492 -27.143 -35.785 1.00 90.46 ? 185 ALA D N 1 ATOM 5848 C CA . ALA D 4 182 ? 32.149 -26.558 -36.955 1.00 95.60 ? 185 ALA D CA 1 ATOM 5849 C C . ALA D 4 182 ? 32.560 -27.603 -37.997 1.00 94.82 ? 185 ALA D C 1 ATOM 5850 O O . ALA D 4 182 ? 32.627 -27.298 -39.188 1.00 98.66 ? 185 ALA D O 1 ATOM 5851 C CB . ALA D 4 182 ? 33.354 -25.730 -36.526 1.00 99.24 ? 185 ALA D CB 1 ATOM 5852 N N . LEU D 4 183 ? 32.819 -28.829 -37.544 1.00 90.19 ? 186 LEU D N 1 ATOM 5853 C CA . LEU D 4 183 ? 33.326 -29.899 -38.411 1.00 89.55 ? 186 LEU D CA 1 ATOM 5854 C C . LEU D 4 183 ? 32.216 -30.787 -38.979 1.00 86.86 ? 186 LEU D C 1 ATOM 5855 O O . LEU D 4 183 ? 31.259 -31.128 -38.278 1.00 83.40 ? 186 LEU D O 1 ATOM 5856 C CB . LEU D 4 183 ? 34.354 -30.756 -37.660 1.00 87.19 ? 186 LEU D CB 1 ATOM 5857 C CG . LEU D 4 183 ? 35.395 -30.051 -36.779 1.00 89.10 ? 186 LEU D CG 1 ATOM 5858 C CD1 . LEU D 4 183 ? 36.134 -31.070 -35.930 1.00 86.48 ? 186 LEU D CD1 1 ATOM 5859 C CD2 . LEU D 4 183 ? 36.377 -29.215 -37.595 1.00 94.99 ? 186 LEU D CD2 1 ATOM 5860 N N . ASN D 4 184 ? 32.362 -31.164 -40.249 1.00 88.79 ? 187 ASN D N 1 ATOM 5861 C CA . ASN D 4 184 ? 31.383 -32.012 -40.937 1.00 87.11 ? 187 ASN D CA 1 ATOM 5862 C C . ASN D 4 184 ? 31.323 -33.444 -40.405 1.00 82.35 ? 187 ASN D C 1 ATOM 5863 O O . ASN D 4 184 ? 30.288 -34.106 -40.509 1.00 80.28 ? 187 ASN D O 1 ATOM 5864 C CB . ASN D 4 184 ? 31.646 -32.023 -42.448 1.00 91.07 ? 187 ASN D CB 1 ATOM 5865 C CG . ASN D 4 184 ? 31.383 -30.676 -43.101 0.70 96.14 ? 187 ASN D CG 1 ATOM 5866 O OD1 . ASN D 4 184 ? 30.523 -29.910 -42.661 0.70 96.46 ? 187 ASN D OD1 1 ATOM 5867 N ND2 . ASN D 4 184 ? 32.122 -30.385 -44.165 0.70 100.47 ? 187 ASN D ND2 1 ATOM 5868 N N . ASP D 4 185 ? 32.436 -33.913 -39.844 1.00 81.14 ? 188 ASP D N 1 ATOM 5869 C CA . ASP D 4 185 ? 32.518 -35.257 -39.273 1.00 77.37 ? 188 ASP D CA 1 ATOM 5870 C C . ASP D 4 185 ? 32.718 -35.222 -37.754 1.00 74.53 ? 188 ASP D C 1 ATOM 5871 O O . ASP D 4 185 ? 33.487 -36.009 -37.192 1.00 73.37 ? 188 ASP D O 1 ATOM 5872 C CB . ASP D 4 185 ? 33.618 -36.076 -39.963 1.00 78.91 ? 188 ASP D CB 1 ATOM 5873 C CG . ASP D 4 185 ? 34.996 -35.439 -39.846 0.70 81.92 ? 188 ASP D CG 1 ATOM 5874 O OD1 . ASP D 4 185 ? 35.086 -34.197 -39.726 0.70 84.18 ? 188 ASP D OD1 1 ATOM 5875 O OD2 . ASP D 4 185 ? 35.993 -36.191 -39.882 0.70 82.72 ? 188 ASP D OD2 1 ATOM 5876 N N . SER D 4 186 ? 32.009 -34.306 -37.099 1.00 73.74 ? 189 SER D N 1 ATOM 5877 C CA . SER D 4 186 ? 32.064 -34.160 -35.650 1.00 71.19 ? 189 SER D CA 1 ATOM 5878 C C . SER D 4 186 ? 31.474 -35.371 -34.940 1.00 67.14 ? 189 SER D C 1 ATOM 5879 O O . SER D 4 186 ? 30.519 -35.978 -35.425 1.00 66.11 ? 189 SER D O 1 ATOM 5880 C CB . SER D 4 186 ? 31.303 -32.909 -35.221 1.00 71.87 ? 189 SER D CB 1 ATOM 5881 O OG . SER D 4 186 ? 31.281 -32.788 -33.811 1.00 69.36 ? 189 SER D OG 1 ATOM 5882 N N . ARG D 4 187 ? 32.046 -35.711 -33.787 1.00 65.36 ? 190 ARG D N 1 ATOM 5883 C CA . ARG D 4 187 ? 31.515 -36.782 -32.947 1.00 61.74 ? 190 ARG D CA 1 ATOM 5884 C C . ARG D 4 187 ? 30.290 -36.292 -32.179 1.00 59.62 ? 190 ARG D C 1 ATOM 5885 O O . ARG D 4 187 ? 30.064 -35.087 -32.052 1.00 60.93 ? 190 ARG D O 1 ATOM 5886 C CB . ARG D 4 187 ? 32.578 -37.300 -31.977 1.00 61.40 ? 190 ARG D CB 1 ATOM 5887 C CG . ARG D 4 187 ? 33.816 -37.893 -32.636 1.00 63.54 ? 190 ARG D CG 1 ATOM 5888 C CD . ARG D 4 187 ? 34.427 -38.943 -31.734 1.00 62.57 ? 190 ARG D CD 1 ATOM 5889 N NE . ARG D 4 187 ? 35.885 -38.950 -31.789 1.00 65.83 ? 190 ARG D NE 1 ATOM 5890 C CZ . ARG D 4 187 ? 36.672 -39.392 -30.810 1.00 66.43 ? 190 ARG D CZ 1 ATOM 5891 N NH1 . ARG D 4 187 ? 36.152 -39.866 -29.681 1.00 63.67 ? 190 ARG D NH1 1 ATOM 5892 N NH2 . ARG D 4 187 ? 37.988 -39.355 -30.956 1.00 70.08 ? 190 ARG D NH2 1 ATOM 5893 N N . TYR D 4 188 ? 29.506 -37.230 -31.660 1.00 56.80 ? 191 TYR D N 1 ATOM 5894 C CA . TYR D 4 188 ? 28.239 -36.899 -31.018 1.00 54.81 ? 191 TYR D CA 1 ATOM 5895 C C . TYR D 4 188 ? 28.222 -37.233 -29.531 1.00 52.45 ? 191 TYR D C 1 ATOM 5896 O O . TYR D 4 188 ? 28.989 -38.069 -29.060 1.00 51.97 ? 191 TYR D O 1 ATOM 5897 C CB . TYR D 4 188 ? 27.093 -37.635 -31.710 1.00 54.16 ? 191 TYR D CB 1 ATOM 5898 C CG . TYR D 4 188 ? 26.831 -37.216 -33.138 1.00 56.31 ? 191 TYR D CG 1 ATOM 5899 C CD1 . TYR D 4 188 ? 26.022 -36.118 -33.422 1.00 57.74 ? 191 TYR D CD1 1 ATOM 5900 C CD2 . TYR D 4 188 ? 27.368 -37.934 -34.208 1.00 57.06 ? 191 TYR D CD2 1 ATOM 5901 C CE1 . TYR D 4 188 ? 25.763 -35.733 -34.733 1.00 60.10 ? 191 TYR D CE1 1 ATOM 5902 C CE2 . TYR D 4 188 ? 27.115 -37.555 -35.523 1.00 59.40 ? 191 TYR D CE2 1 ATOM 5903 C CZ . TYR D 4 188 ? 26.311 -36.454 -35.772 1.00 60.85 ? 191 TYR D CZ 1 ATOM 5904 O OH . TYR D 4 188 ? 26.049 -36.066 -37.058 1.00 64.19 ? 191 TYR D OH 1 ATOM 5905 N N . ALA D 4 189 ? 27.334 -36.561 -28.806 1.00 51.42 ? 192 ALA D N 1 ATOM 5906 C CA . ALA D 4 189 ? 27.064 -36.850 -27.404 1.00 49.05 ? 192 ALA D CA 1 ATOM 5907 C C . ALA D 4 189 ? 25.559 -36.876 -27.197 1.00 47.71 ? 192 ALA D C 1 ATOM 5908 O O . ALA D 4 189 ? 24.818 -36.169 -27.883 1.00 48.74 ? 192 ALA D O 1 ATOM 5909 C CB . ALA D 4 189 ? 27.701 -35.809 -26.510 1.00 49.71 ? 192 ALA D CB 1 ATOM 5910 N N . LEU D 4 190 ? 25.115 -37.700 -26.254 1.00 45.77 ? 193 LEU D N 1 ATOM 5911 C CA . LEU D 4 190 ? 23.698 -37.850 -25.951 1.00 44.80 ? 193 LEU D CA 1 ATOM 5912 C C . LEU D 4 190 ? 23.505 -37.960 -24.447 1.00 43.19 ? 193 LEU D C 1 ATOM 5913 O O . LEU D 4 190 ? 24.284 -38.633 -23.763 1.00 42.54 ? 193 LEU D O 1 ATOM 5914 C CB . LEU D 4 190 ? 23.138 -39.093 -26.643 1.00 44.74 ? 193 LEU D CB 1 ATOM 5915 C CG . LEU D 4 190 ? 21.625 -39.313 -26.616 1.00 45.03 ? 193 LEU D CG 1 ATOM 5916 C CD1 . LEU D 4 190 ? 20.938 -38.598 -27.781 1.00 47.25 ? 193 LEU D CD1 1 ATOM 5917 C CD2 . LEU D 4 190 ? 21.314 -40.802 -26.642 1.00 44.99 ? 193 LEU D CD2 1 ATOM 5918 N N . SER D 4 191 ? 22.473 -37.291 -23.938 1.00 42.95 ? 194 SER D N 1 ATOM 5919 C CA . SER D 4 191 ? 22.148 -37.340 -22.515 1.00 41.66 ? 194 SER D CA 1 ATOM 5920 C C . SER D 4 191 ? 20.730 -37.829 -22.272 1.00 41.21 ? 194 SER D C 1 ATOM 5921 O O . SER D 4 191 ? 19.818 -37.549 -23.053 1.00 42.29 ? 194 SER D O 1 ATOM 5922 C CB . SER D 4 191 ? 22.354 -35.976 -21.853 1.00 42.22 ? 194 SER D CB 1 ATOM 5923 O OG . SER D 4 191 ? 21.415 -35.026 -22.319 1.00 43.78 ? 194 SER D OG 1 ATOM 5924 N N . SER D 4 192 ? 20.561 -38.567 -21.181 1.00 40.11 ? 195 SER D N 1 ATOM 5925 C CA . SER D 4 192 ? 19.265 -39.105 -20.786 1.00 40.05 ? 195 SER D CA 1 ATOM 5926 C C . SER D 4 192 ? 19.153 -39.055 -19.279 1.00 39.21 ? 195 SER D C 1 ATOM 5927 O O . SER D 4 192 ? 20.163 -39.097 -18.579 1.00 38.69 ? 195 SER D O 1 ATOM 5928 C CB . SER D 4 192 ? 19.108 -40.546 -21.271 1.00 40.35 ? 195 SER D CB 1 ATOM 5929 O OG . SER D 4 192 ? 17.953 -41.151 -20.721 1.00 40.41 ? 195 SER D OG 1 ATOM 5930 N N . ARG D 4 193 ? 17.924 -38.963 -18.782 1.00 39.55 ? 196 ARG D N 1 ATOM 5931 C CA . ARG D 4 193 ? 17.701 -38.838 -17.343 1.00 39.13 ? 196 ARG D CA 1 ATOM 5932 C C . ARG D 4 193 ? 16.608 -39.750 -16.823 1.00 39.40 ? 196 ARG D C 1 ATOM 5933 O O . ARG D 4 193 ? 15.558 -39.897 -17.448 1.00 40.62 ? 196 ARG D O 1 ATOM 5934 C CB . ARG D 4 193 ? 17.450 -37.376 -16.906 1.00 39.58 ? 196 ARG D CB 1 ATOM 5935 C CG . ARG D 4 193 ? 16.737 -36.458 -17.899 1.00 41.53 ? 196 ARG D CG 1 ATOM 5936 C CD . ARG D 4 193 ? 17.703 -35.951 -18.964 1.00 43.40 ? 196 ARG D CD 1 ATOM 5937 N NE . ARG D 4 193 ? 17.345 -34.636 -19.486 1.00 46.84 ? 196 ARG D NE 1 ATOM 5938 C CZ . ARG D 4 193 ? 17.665 -34.193 -20.701 1.00 48.57 ? 196 ARG D CZ 1 ATOM 5939 N NH1 . ARG D 4 193 ? 17.303 -32.975 -21.075 1.00 51.31 ? 196 ARG D NH1 1 ATOM 5940 N NH2 . ARG D 4 193 ? 18.339 -34.962 -21.547 1.00 47.96 ? 196 ARG D NH2 1 ATOM 5941 N N . LEU D 4 194 ? 16.891 -40.386 -15.690 1.00 38.80 ? 197 LEU D N 1 ATOM 5942 C CA . LEU D 4 194 ? 15.904 -41.161 -14.958 1.00 39.34 ? 197 LEU D CA 1 ATOM 5943 C C . LEU D 4 194 ? 15.648 -40.456 -13.642 1.00 39.09 ? 197 LEU D C 1 ATOM 5944 O O . LEU D 4 194 ? 16.595 -40.126 -12.923 1.00 38.61 ? 197 LEU D O 1 ATOM 5945 C CB . LEU D 4 194 ? 16.407 -42.582 -14.699 1.00 39.66 ? 197 LEU D CB 1 ATOM 5946 C CG . LEU D 4 194 ? 15.655 -43.384 -13.634 1.00 40.53 ? 197 LEU D CG 1 ATOM 5947 C CD1 . LEU D 4 194 ? 14.232 -43.713 -14.063 1.00 42.00 ? 197 LEU D CD1 1 ATOM 5948 C CD2 . LEU D 4 194 ? 16.412 -44.645 -13.318 1.00 42.05 ? 197 LEU D CD2 1 ATOM 5949 N N . ARG D 4 195 ? 14.375 -40.225 -13.327 1.00 39.86 ? 198 ARG D N 1 ATOM 5950 C CA . ARG D 4 195 ? 14.020 -39.562 -12.080 1.00 39.85 ? 198 ARG D CA 1 ATOM 5951 C C . ARG D 4 195 ? 13.161 -40.437 -11.185 1.00 41.11 ? 198 ARG D C 1 ATOM 5952 O O . ARG D 4 195 ? 12.100 -40.910 -11.591 1.00 42.57 ? 198 ARG D O 1 ATOM 5953 C CB . ARG D 4 195 ? 13.328 -38.222 -12.345 1.00 40.52 ? 198 ARG D CB 1 ATOM 5954 C CG . ARG D 4 195 ? 13.296 -37.298 -11.139 1.00 39.79 ? 198 ARG D CG 1 ATOM 5955 C CD . ARG D 4 195 ? 12.751 -35.951 -11.511 1.00 40.25 ? 198 ARG D CD 1 ATOM 5956 N NE . ARG D 4 195 ? 13.039 -34.950 -10.488 1.00 40.15 ? 198 ARG D NE 1 ATOM 5957 C CZ . ARG D 4 195 ? 12.658 -33.677 -10.551 1.00 40.76 ? 198 ARG D CZ 1 ATOM 5958 N NH1 . ARG D 4 195 ? 12.966 -32.846 -9.570 1.00 40.85 ? 198 ARG D NH1 1 ATOM 5959 N NH2 . ARG D 4 195 ? 11.968 -33.236 -11.592 1.00 42.18 ? 198 ARG D NH2 1 ATOM 5960 N N . VAL D 4 196 ? 13.634 -40.641 -9.960 1.00 41.09 ? 199 VAL D N 1 ATOM 5961 C CA . VAL D 4 196 ? 12.932 -41.462 -8.974 1.00 42.88 ? 199 VAL D CA 1 ATOM 5962 C C . VAL D 4 196 ? 12.639 -40.693 -7.672 1.00 43.27 ? 199 VAL D C 1 ATOM 5963 O O . VAL D 4 196 ? 13.164 -39.596 -7.461 1.00 42.26 ? 199 VAL D O 1 ATOM 5964 C CB . VAL D 4 196 ? 13.716 -42.774 -8.671 1.00 43.42 ? 199 VAL D CB 1 ATOM 5965 C CG1 . VAL D 4 196 ? 13.611 -43.743 -9.842 1.00 44.10 ? 199 VAL D CG1 1 ATOM 5966 C CG2 . VAL D 4 196 ? 15.179 -42.479 -8.338 1.00 42.22 ? 199 VAL D CG2 1 ATOM 5967 N N . SER D 4 197 ? 11.797 -41.264 -6.810 1.00 45.06 ? 200 SER D N 1 ATOM 5968 C CA . SER D 4 197 ? 11.541 -40.682 -5.488 1.00 45.84 ? 200 SER D CA 1 ATOM 5969 C C . SER D 4 197 ? 12.781 -40.782 -4.601 1.00 45.34 ? 200 SER D C 1 ATOM 5970 O O . SER D 4 197 ? 13.535 -41.759 -4.684 1.00 45.73 ? 200 SER D O 1 ATOM 5971 C CB . SER D 4 197 ? 10.355 -41.366 -4.805 1.00 48.27 ? 200 SER D CB 1 ATOM 5972 O OG . SER D 4 197 ? 10.678 -42.692 -4.419 1.00 49.82 ? 200 SER D OG 1 ATOM 5973 N N . ALA D 4 198 ? 12.982 -39.772 -3.756 1.00 45.06 ? 201 ALA D N 1 ATOM 5974 C CA . ALA D 4 198 ? 14.170 -39.684 -2.903 1.00 44.78 ? 201 ALA D CA 1 ATOM 5975 C C . ALA D 4 198 ? 14.424 -40.970 -2.128 1.00 46.29 ? 201 ALA D C 1 ATOM 5976 O O . ALA D 4 198 ? 15.549 -41.467 -2.093 1.00 46.34 ? 201 ALA D O 1 ATOM 5977 C CB . ALA D 4 198 ? 14.058 -38.506 -1.951 1.00 45.02 ? 201 ALA D CB 1 ATOM 5978 N N . THR D 4 199 ? 13.367 -41.510 -1.528 1.00 48.01 ? 202 THR D N 1 ATOM 5979 C CA . THR D 4 199 ? 13.466 -42.725 -0.720 1.00 50.44 ? 202 THR D CA 1 ATOM 5980 C C . THR D 4 199 ? 13.904 -43.937 -1.544 1.00 50.90 ? 202 THR D C 1 ATOM 5981 O O . THR D 4 199 ? 14.573 -44.835 -1.028 1.00 52.78 ? 202 THR D O 1 ATOM 5982 C CB . THR D 4 199 ? 12.141 -43.040 0.008 1.00 52.62 ? 202 THR D CB 1 ATOM 5983 O OG1 . THR D 4 199 ? 11.087 -43.204 -0.949 1.00 52.79 ? 202 THR D OG1 1 ATOM 5984 C CG2 . THR D 4 199 ? 11.783 -41.920 0.975 1.00 52.58 ? 202 THR D CG2 1 ATOM 5985 N N . PHE D 4 200 ? 13.534 -43.948 -2.821 1.00 49.62 ? 203 PHE D N 1 ATOM 5986 C CA . PHE D 4 200 ? 13.908 -45.032 -3.723 1.00 50.24 ? 203 PHE D CA 1 ATOM 5987 C C . PHE D 4 200 ? 15.401 -45.018 -4.042 1.00 49.11 ? 203 PHE D C 1 ATOM 5988 O O . PHE D 4 200 ? 16.021 -46.074 -4.182 1.00 50.78 ? 203 PHE D O 1 ATOM 5989 C CB . PHE D 4 200 ? 13.091 -44.973 -5.015 1.00 49.51 ? 203 PHE D CB 1 ATOM 5990 C CG . PHE D 4 200 ? 13.286 -46.164 -5.906 1.00 50.94 ? 203 PHE D CG 1 ATOM 5991 C CD1 . PHE D 4 200 ? 14.166 -46.107 -6.981 1.00 49.61 ? 203 PHE D CD1 1 ATOM 5992 C CD2 . PHE D 4 200 ? 12.593 -47.346 -5.667 1.00 54.15 ? 203 PHE D CD2 1 ATOM 5993 C CE1 . PHE D 4 200 ? 14.350 -47.203 -7.808 1.00 51.21 ? 203 PHE D CE1 1 ATOM 5994 C CE2 . PHE D 4 200 ? 12.769 -48.451 -6.487 1.00 55.88 ? 203 PHE D CE2 1 ATOM 5995 C CZ . PHE D 4 200 ? 13.650 -48.381 -7.560 1.00 54.58 ? 203 PHE D CZ 1 ATOM 5996 N N . TRP D 4 201 ? 15.962 -43.819 -4.161 1.00 46.77 ? 204 TRP D N 1 ATOM 5997 C CA . TRP D 4 201 ? 17.390 -43.642 -4.394 1.00 45.88 ? 204 TRP D CA 1 ATOM 5998 C C . TRP D 4 201 ? 18.227 -43.953 -3.147 1.00 47.84 ? 204 TRP D C 1 ATOM 5999 O O . TRP D 4 201 ? 19.393 -44.338 -3.255 1.00 48.70 ? 204 TRP D O 1 ATOM 6000 C CB . TRP D 4 201 ? 17.667 -42.215 -4.875 1.00 43.70 ? 204 TRP D CB 1 ATOM 6001 C CG . TRP D 4 201 ? 19.096 -41.798 -4.737 1.00 43.39 ? 204 TRP D CG 1 ATOM 6002 C CD1 . TRP D 4 201 ? 19.608 -40.934 -3.821 1.00 43.46 ? 204 TRP D CD1 1 ATOM 6003 C CD2 . TRP D 4 201 ? 20.202 -42.250 -5.527 1.00 43.64 ? 204 TRP D CD2 1 ATOM 6004 N NE1 . TRP D 4 201 ? 20.963 -40.807 -3.993 1.00 44.26 ? 204 TRP D NE1 1 ATOM 6005 C CE2 . TRP D 4 201 ? 21.355 -41.603 -5.036 1.00 44.32 ? 204 TRP D CE2 1 ATOM 6006 C CE3 . TRP D 4 201 ? 20.330 -43.133 -6.608 1.00 43.39 ? 204 TRP D CE3 1 ATOM 6007 C CZ2 . TRP D 4 201 ? 22.626 -41.815 -5.584 1.00 45.17 ? 204 TRP D CZ2 1 ATOM 6008 C CZ3 . TRP D 4 201 ? 21.590 -43.343 -7.152 1.00 44.12 ? 204 TRP D CZ3 1 ATOM 6009 C CH2 . TRP D 4 201 ? 22.723 -42.687 -6.638 1.00 44.78 ? 204 TRP D CH2 1 ATOM 6010 N N . GLN D 4 202 ? 17.625 -43.787 -1.971 1.00 48.86 ? 205 GLN D N 1 ATOM 6011 C CA . GLN D 4 202 ? 18.341 -43.922 -0.699 1.00 50.88 ? 205 GLN D CA 1 ATOM 6012 C C . GLN D 4 202 ? 18.482 -45.367 -0.215 1.00 54.07 ? 205 GLN D C 1 ATOM 6013 O O . GLN D 4 202 ? 19.251 -45.648 0.709 1.00 56.54 ? 205 GLN D O 1 ATOM 6014 C CB . GLN D 4 202 ? 17.703 -43.024 0.366 1.00 50.88 ? 205 GLN D CB 1 ATOM 6015 C CG . GLN D 4 202 ? 18.020 -41.548 0.150 1.00 49.06 ? 205 GLN D CG 1 ATOM 6016 C CD . GLN D 4 202 ? 17.039 -40.604 0.823 1.00 49.29 ? 205 GLN D CD 1 ATOM 6017 O OE1 . GLN D 4 202 ? 15.907 -40.976 1.132 1.00 50.60 ? 205 GLN D OE1 1 ATOM 6018 N NE2 . GLN D 4 202 ? 17.470 -39.365 1.043 1.00 48.30 ? 205 GLN D NE2 1 ATOM 6019 N N . ASN D 4 203 ? 17.744 -46.275 -0.854 1.00 54.46 ? 206 ASN D N 1 ATOM 6020 C CA . ASN D 4 203 ? 17.876 -47.712 -0.628 1.00 57.74 ? 206 ASN D CA 1 ATOM 6021 C C . ASN D 4 203 ? 19.132 -48.237 -1.333 1.00 58.33 ? 206 ASN D C 1 ATOM 6022 O O . ASN D 4 203 ? 19.236 -48.140 -2.557 1.00 56.07 ? 206 ASN D O 1 ATOM 6023 C CB . ASN D 4 203 ? 16.616 -48.426 -1.131 1.00 58.42 ? 206 ASN D CB 1 ATOM 6024 C CG . ASN D 4 203 ? 16.675 -49.939 -0.973 1.00 62.25 ? 206 ASN D CG 1 ATOM 6025 O OD1 . ASN D 4 203 ? 17.455 -50.474 -0.188 1.00 64.98 ? 206 ASN D OD1 1 ATOM 6026 N ND2 . ASN D 4 203 ? 15.830 -50.635 -1.724 0.70 62.55 ? 206 ASN D ND2 1 ATOM 6027 N N . PRO D 4 204 ? 20.098 -48.777 -0.559 1.00 61.63 ? 207 PRO D N 1 ATOM 6028 C CA . PRO D 4 204 ? 21.383 -49.260 -1.090 1.00 63.07 ? 207 PRO D CA 1 ATOM 6029 C C . PRO D 4 204 ? 21.278 -50.576 -1.859 1.00 65.39 ? 207 PRO D C 1 ATOM 6030 O O . PRO D 4 204 ? 22.222 -50.960 -2.558 1.00 66.15 ? 207 PRO D O 1 ATOM 6031 C CB . PRO D 4 204 ? 22.239 -49.462 0.169 1.00 66.79 ? 207 PRO D CB 1 ATOM 6032 C CG . PRO D 4 204 ? 21.494 -48.796 1.281 1.00 66.47 ? 207 PRO D CG 1 ATOM 6033 C CD . PRO D 4 204 ? 20.055 -48.879 0.909 1.00 64.60 ? 207 PRO D CD 1 ATOM 6034 N N . ARG D 4 205 ? 20.145 -51.260 -1.716 1.00 66.91 ? 208 ARG D N 1 ATOM 6035 C CA . ARG D 4 205 ? 19.878 -52.485 -2.459 1.00 69.48 ? 208 ARG D CA 1 ATOM 6036 C C . ARG D 4 205 ? 19.445 -52.179 -3.897 1.00 66.00 ? 208 ARG D C 1 ATOM 6037 O O . ARG D 4 205 ? 19.518 -53.048 -4.776 1.00 67.58 ? 208 ARG D O 1 ATOM 6038 C CB . ARG D 4 205 ? 18.821 -53.328 -1.738 1.00 73.04 ? 208 ARG D CB 1 ATOM 6039 N N . ASN D 4 206 ? 18.999 -50.943 -4.126 1.00 61.76 ? 209 ASN D N 1 ATOM 6040 C CA . ASN D 4 206 ? 18.574 -50.489 -5.452 1.00 58.68 ? 209 ASN D CA 1 ATOM 6041 C C . ASN D 4 206 ? 19.745 -50.222 -6.392 1.00 57.13 ? 209 ASN D C 1 ATOM 6042 O O . ASN D 4 206 ? 20.676 -49.482 -6.063 1.00 56.22 ? 209 ASN D O 1 ATOM 6043 C CB . ASN D 4 206 ? 17.671 -49.254 -5.351 1.00 55.53 ? 209 ASN D CB 1 ATOM 6044 C CG . ASN D 4 206 ? 16.226 -49.609 -5.043 1.00 57.10 ? 209 ASN D CG 1 ATOM 6045 O OD1 . ASN D 4 206 ? 15.759 -50.703 -5.362 1.00 59.81 ? 209 ASN D OD1 1 ATOM 6046 N ND2 . ASN D 4 206 ? 15.505 -48.675 -4.428 1.00 56.03 ? 209 ASN D ND2 1 ATOM 6047 N N . HIS D 4 207 ? 19.678 -50.830 -7.568 1.00 57.32 ? 210 HIS D N 1 ATOM 6048 C CA . HIS D 4 207 ? 20.764 -50.789 -8.532 1.00 56.52 ? 210 HIS D CA 1 ATOM 6049 C C . HIS D 4 207 ? 20.328 -50.015 -9.758 1.00 53.19 ? 210 HIS D C 1 ATOM 6050 O O . HIS D 4 207 ? 19.165 -50.073 -10.157 1.00 52.84 ? 210 HIS D O 1 ATOM 6051 C CB . HIS D 4 207 ? 21.170 -52.217 -8.921 1.00 60.24 ? 210 HIS D CB 1 ATOM 6052 C CG . HIS D 4 207 ? 22.134 -52.285 -10.062 1.00 59.37 ? 210 HIS D CG 1 ATOM 6053 N ND1 . HIS D 4 207 ? 23.497 -52.184 -9.891 1.00 60.17 ? 210 HIS D ND1 1 ATOM 6054 C CD2 . HIS D 4 207 ? 21.932 -52.441 -11.392 1.00 58.31 ? 210 HIS D CD2 1 ATOM 6055 C CE1 . HIS D 4 207 ? 24.095 -52.278 -11.066 1.00 59.85 ? 210 HIS D CE1 1 ATOM 6056 N NE2 . HIS D 4 207 ? 23.167 -52.434 -11.993 1.00 58.63 ? 210 HIS D NE2 1 ATOM 6057 N N . PHE D 4 208 ? 21.265 -49.292 -10.358 1.00 51.31 ? 211 PHE D N 1 ATOM 6058 C CA . PHE D 4 208 ? 20.972 -48.552 -11.571 1.00 48.79 ? 211 PHE D CA 1 ATOM 6059 C C . PHE D 4 208 ? 22.045 -48.805 -12.619 1.00 49.24 ? 211 PHE D C 1 ATOM 6060 O O . PHE D 4 208 ? 23.226 -48.920 -12.291 1.00 50.42 ? 211 PHE D O 1 ATOM 6061 C CB . PHE D 4 208 ? 20.826 -47.058 -11.271 1.00 46.02 ? 211 PHE D CB 1 ATOM 6062 C CG . PHE D 4 208 ? 19.878 -46.758 -10.140 1.00 45.87 ? 211 PHE D CG 1 ATOM 6063 C CD1 . PHE D 4 208 ? 20.335 -46.698 -8.826 1.00 47.09 ? 211 PHE D CD1 1 ATOM 6064 C CD2 . PHE D 4 208 ? 18.530 -46.543 -10.386 1.00 45.32 ? 211 PHE D CD2 1 ATOM 6065 C CE1 . PHE D 4 208 ? 19.466 -46.429 -7.777 1.00 47.14 ? 211 PHE D CE1 1 ATOM 6066 C CE2 . PHE D 4 208 ? 17.650 -46.266 -9.340 1.00 45.83 ? 211 PHE D CE2 1 ATOM 6067 C CZ . PHE D 4 208 ? 18.122 -46.210 -8.034 1.00 46.57 ? 211 PHE D CZ 1 ATOM 6068 N N . ARG D 4 209 ? 21.612 -48.908 -13.873 1.00 48.74 ? 212 ARG D N 1 ATOM 6069 C CA . ARG D 4 209 ? 22.494 -49.149 -15.010 1.00 49.25 ? 212 ARG D CA 1 ATOM 6070 C C . ARG D 4 209 ? 22.029 -48.324 -16.203 1.00 47.07 ? 212 ARG D C 1 ATOM 6071 O O . ARG D 4 209 ? 20.828 -48.176 -16.443 1.00 46.36 ? 212 ARG D O 1 ATOM 6072 C CB . ARG D 4 209 ? 22.500 -50.635 -15.369 1.00 52.47 ? 212 ARG D CB 1 ATOM 6073 C CG . ARG D 4 209 ? 23.541 -51.043 -16.399 1.00 54.24 ? 212 ARG D CG 1 ATOM 6074 C CD . ARG D 4 209 ? 23.807 -52.545 -16.338 1.00 59.93 ? 212 ARG D CD 1 ATOM 6075 N NE . ARG D 4 209 ? 22.667 -53.322 -16.825 1.00 62.30 ? 212 ARG D NE 1 ATOM 6076 C CZ . ARG D 4 209 ? 22.601 -53.902 -18.021 1.00 63.98 ? 212 ARG D CZ 1 ATOM 6077 N NH1 . ARG D 4 209 ? 21.513 -54.580 -18.367 1.00 65.77 ? 212 ARG D NH1 1 ATOM 6078 N NH2 . ARG D 4 209 ? 23.618 -53.815 -18.872 1.00 64.17 ? 212 ARG D NH2 1 ATOM 6079 N N . CYS D 4 210 ? 22.986 -47.770 -16.935 1.00 46.49 ? 213 CYS D N 1 ATOM 6080 C CA . CYS D 4 210 ? 22.688 -47.029 -18.150 1.00 45.20 ? 213 CYS D CA 1 ATOM 6081 C C . CYS D 4 210 ? 23.287 -47.785 -19.321 1.00 46.54 ? 213 CYS D C 1 ATOM 6082 O O . CYS D 4 210 ? 24.510 -47.919 -19.424 1.00 47.46 ? 213 CYS D O 1 ATOM 6083 C CB . CYS D 4 210 ? 23.241 -45.605 -18.082 1.00 43.43 ? 213 CYS D CB 1 ATOM 6084 S SG . CYS D 4 210 ? 22.843 -44.628 -19.541 1.00 43.26 ? 213 CYS D SG 1 ATOM 6085 N N . GLN D 4 211 ? 22.420 -48.288 -20.192 1.00 47.02 ? 214 GLN D N 1 ATOM 6086 C CA . GLN D 4 211 ? 22.848 -49.152 -21.283 1.00 48.80 ? 214 GLN D CA 1 ATOM 6087 C C . GLN D 4 211 ? 22.767 -48.408 -22.609 1.00 47.76 ? 214 GLN D C 1 ATOM 6088 O O . GLN D 4 211 ? 21.710 -47.895 -22.979 1.00 47.15 ? 214 GLN D O 1 ATOM 6089 C CB . GLN D 4 211 ? 22.001 -50.434 -21.306 1.00 51.20 ? 214 GLN D CB 1 ATOM 6090 C CG . GLN D 4 211 ? 22.374 -51.433 -22.391 1.00 53.78 ? 214 GLN D CG 1 ATOM 6091 C CD . GLN D 4 211 ? 21.806 -52.817 -22.135 1.00 57.45 ? 214 GLN D CD 1 ATOM 6092 O OE1 . GLN D 4 211 ? 22.184 -53.489 -21.173 1.00 59.16 ? 214 GLN D OE1 1 ATOM 6093 N NE2 . GLN D 4 211 ? 20.901 -53.255 -23.003 1.00 58.74 ? 214 GLN D NE2 1 ATOM 6094 N N . VAL D 4 212 ? 23.894 -48.339 -23.312 1.00 48.06 ? 215 VAL D N 1 ATOM 6095 C CA . VAL D 4 212 ? 23.936 -47.725 -24.639 1.00 47.45 ? 215 VAL D CA 1 ATOM 6096 C C . VAL D 4 212 ? 24.379 -48.746 -25.687 1.00 49.65 ? 215 VAL D C 1 ATOM 6097 O O . VAL D 4 212 ? 25.541 -49.156 -25.728 1.00 50.77 ? 215 VAL D O 1 ATOM 6098 C CB . VAL D 4 212 ? 24.838 -46.466 -24.674 1.00 46.12 ? 215 VAL D CB 1 ATOM 6099 C CG1 . VAL D 4 212 ? 24.906 -45.890 -26.081 1.00 46.15 ? 215 VAL D CG1 1 ATOM 6100 C CG2 . VAL D 4 212 ? 24.322 -45.417 -23.707 1.00 44.16 ? 215 VAL D CG2 1 ATOM 6101 N N . GLN D 4 213 ? 23.426 -49.164 -26.515 1.00 50.64 ? 216 GLN D N 1 ATOM 6102 C CA . GLN D 4 213 ? 23.711 -50.021 -27.658 1.00 52.91 ? 216 GLN D CA 1 ATOM 6103 C C . GLN D 4 213 ? 24.288 -49.166 -28.779 1.00 52.47 ? 216 GLN D C 1 ATOM 6104 O O . GLN D 4 213 ? 23.632 -48.243 -29.272 1.00 51.57 ? 216 GLN D O 1 ATOM 6105 C CB . GLN D 4 213 ? 22.446 -50.741 -28.126 1.00 54.48 ? 216 GLN D CB 1 ATOM 6106 C CG . GLN D 4 213 ? 22.624 -51.543 -29.409 1.00 57.26 ? 216 GLN D CG 1 ATOM 6107 C CD . GLN D 4 213 ? 23.344 -52.860 -29.192 1.00 60.00 ? 216 GLN D CD 1 ATOM 6108 O OE1 . GLN D 4 213 ? 24.445 -53.073 -29.704 1.00 60.97 ? 216 GLN D OE1 1 ATOM 6109 N NE2 . GLN D 4 213 ? 22.723 -53.752 -28.428 1.00 61.63 ? 216 GLN D NE2 1 ATOM 6110 N N . PHE D 4 214 ? 25.528 -49.460 -29.156 1.00 53.56 ? 217 PHE D N 1 ATOM 6111 C CA . PHE D 4 214 ? 26.183 -48.750 -30.243 1.00 53.57 ? 217 PHE D CA 1 ATOM 6112 C C . PHE D 4 214 ? 26.248 -49.639 -31.463 1.00 56.17 ? 217 PHE D C 1 ATOM 6113 O O . PHE D 4 214 ? 26.772 -50.749 -31.396 1.00 58.27 ? 217 PHE D O 1 ATOM 6114 C CB . PHE D 4 214 ? 27.592 -48.309 -29.850 1.00 53.30 ? 217 PHE D CB 1 ATOM 6115 C CG . PHE D 4 214 ? 28.387 -47.731 -30.990 1.00 53.74 ? 217 PHE D CG 1 ATOM 6116 C CD1 . PHE D 4 214 ? 28.073 -46.480 -31.513 1.00 52.42 ? 217 PHE D CD1 1 ATOM 6117 C CD2 . PHE D 4 214 ? 29.451 -48.435 -31.539 1.00 55.71 ? 217 PHE D CD2 1 ATOM 6118 C CE1 . PHE D 4 214 ? 28.804 -45.942 -32.565 1.00 53.74 ? 217 PHE D CE1 1 ATOM 6119 C CE2 . PHE D 4 214 ? 30.186 -47.909 -32.593 1.00 56.59 ? 217 PHE D CE2 1 ATOM 6120 C CZ . PHE D 4 214 ? 29.863 -46.661 -33.107 1.00 55.84 ? 217 PHE D CZ 1 ATOM 6121 N N . TYR D 4 215 ? 25.713 -49.143 -32.572 1.00 56.50 ? 218 TYR D N 1 ATOM 6122 C CA . TYR D 4 215 ? 25.797 -49.847 -33.839 1.00 59.10 ? 218 TYR D CA 1 ATOM 6123 C C . TYR D 4 215 ? 26.994 -49.361 -34.640 1.00 59.95 ? 218 TYR D C 1 ATOM 6124 O O . TYR D 4 215 ? 27.050 -48.201 -35.055 1.00 59.20 ? 218 TYR D O 1 ATOM 6125 C CB . TYR D 4 215 ? 24.492 -49.706 -34.621 1.00 59.70 ? 218 TYR D CB 1 ATOM 6126 C CG . TYR D 4 215 ? 23.360 -50.484 -33.996 1.00 60.02 ? 218 TYR D CG 1 ATOM 6127 C CD1 . TYR D 4 215 ? 22.431 -49.855 -33.169 1.00 58.16 ? 218 TYR D CD1 1 ATOM 6128 C CD2 . TYR D 4 215 ? 23.228 -51.857 -34.216 1.00 62.39 ? 218 TYR D CD2 1 ATOM 6129 C CE1 . TYR D 4 215 ? 21.388 -50.573 -32.585 1.00 59.17 ? 218 TYR D CE1 1 ATOM 6130 C CE2 . TYR D 4 215 ? 22.195 -52.583 -33.636 1.00 63.47 ? 218 TYR D CE2 1 ATOM 6131 C CZ . TYR D 4 215 ? 21.278 -51.937 -32.823 1.00 61.91 ? 218 TYR D CZ 1 ATOM 6132 O OH . TYR D 4 215 ? 20.254 -52.654 -32.248 1.00 63.55 ? 218 TYR D OH 1 ATOM 6133 N N . GLY D 4 216 ? 27.962 -50.252 -34.825 1.00 62.05 ? 219 GLY D N 1 ATOM 6134 C CA . GLY D 4 216 ? 29.175 -49.928 -35.556 1.00 63.58 ? 219 GLY D CA 1 ATOM 6135 C C . GLY D 4 216 ? 29.562 -50.992 -36.560 1.00 67.04 ? 219 GLY D C 1 ATOM 6136 O O . GLY D 4 216 ? 28.706 -51.570 -37.233 1.00 68.37 ? 219 GLY D O 1 ATOM 6137 N N . LEU D 4 217 ? 30.863 -51.248 -36.647 1.00 68.96 ? 220 LEU D N 1 ATOM 6138 C CA . LEU D 4 217 ? 31.425 -52.190 -37.605 1.00 72.74 ? 220 LEU D CA 1 ATOM 6139 C C . LEU D 4 217 ? 31.103 -53.643 -37.266 1.00 75.18 ? 220 LEU D C 1 ATOM 6140 O O . LEU D 4 217 ? 30.691 -53.957 -36.146 1.00 74.20 ? 220 LEU D O 1 ATOM 6141 C CB . LEU D 4 217 ? 32.942 -51.998 -37.703 1.00 74.31 ? 220 LEU D CB 1 ATOM 6142 C CG . LEU D 4 217 ? 33.505 -51.000 -38.716 1.00 74.57 ? 220 LEU D CG 1 ATOM 6143 C CD1 . LEU D 4 217 ? 33.049 -49.571 -38.454 1.00 71.85 ? 220 LEU D CD1 1 ATOM 6144 C CD2 . LEU D 4 217 ? 35.013 -51.074 -38.689 1.00 77.02 ? 220 LEU D CD2 1 ATOM 6145 N N . SER D 4 218 ? 31.290 -54.518 -38.251 1.00 78.88 ? 221 SER D N 1 ATOM 6146 C CA . SER D 4 218 ? 31.099 -55.954 -38.077 1.00 82.27 ? 221 SER D CA 1 ATOM 6147 C C . SER D 4 218 ? 32.324 -56.725 -38.574 1.00 86.58 ? 221 SER D C 1 ATOM 6148 O O . SER D 4 218 ? 33.349 -56.122 -38.913 1.00 86.75 ? 221 SER D O 1 ATOM 6149 C CB . SER D 4 218 ? 29.821 -56.416 -38.786 1.00 83.22 ? 221 SER D CB 1 ATOM 6150 O OG . SER D 4 218 ? 28.669 -55.951 -38.103 1.00 80.05 ? 221 SER D OG 1 ATOM 6151 N N . GLU D 4 219 ? 32.212 -58.053 -38.610 1.00 90.60 ? 222 GLU D N 1 ATOM 6152 C CA . GLU D 4 219 ? 33.322 -58.932 -38.978 1.00 95.45 ? 222 GLU D CA 1 ATOM 6153 C C . GLU D 4 219 ? 33.860 -58.679 -40.390 1.00 97.26 ? 222 GLU D C 1 ATOM 6154 O O . GLU D 4 219 ? 35.065 -58.490 -40.570 1.00 98.73 ? 222 GLU D O 1 ATOM 6155 C CB . GLU D 4 219 ? 32.916 -60.402 -38.817 1.00 99.66 ? 222 GLU D CB 1 ATOM 6156 N N . ASN D 4 220 ? 32.961 -58.660 -41.375 1.00 97.60 ? 223 ASN D N 1 ATOM 6157 C CA . ASN D 4 220 ? 33.327 -58.510 -42.793 1.00 99.87 ? 223 ASN D CA 1 ATOM 6158 C C . ASN D 4 220 ? 34.053 -57.201 -43.141 1.00 97.80 ? 223 ASN D C 1 ATOM 6159 O O . ASN D 4 220 ? 34.565 -57.045 -44.256 1.00 99.87 ? 223 ASN D O 1 ATOM 6160 C CB . ASN D 4 220 ? 32.094 -58.694 -43.687 1.00 100.47 ? 223 ASN D CB 1 ATOM 6161 N N . ASP D 4 221 ? 34.093 -56.277 -42.181 1.00 94.17 ? 224 ASP D N 1 ATOM 6162 C CA . ASP D 4 221 ? 34.784 -54.998 -42.329 1.00 92.48 ? 224 ASP D CA 1 ATOM 6163 C C . ASP D 4 221 ? 36.203 -55.094 -41.767 1.00 94.32 ? 224 ASP D C 1 ATOM 6164 O O . ASP D 4 221 ? 36.391 -55.393 -40.585 1.00 93.77 ? 224 ASP D O 1 ATOM 6165 C CB . ASP D 4 221 ? 34.010 -53.884 -41.611 1.00 87.91 ? 224 ASP D CB 1 ATOM 6166 C CG . ASP D 4 221 ? 32.524 -53.878 -41.952 1.00 86.71 ? 224 ASP D CG 1 ATOM 6167 O OD1 . ASP D 4 221 ? 32.136 -54.494 -42.971 1.00 89.59 ? 224 ASP D OD1 1 ATOM 6168 O OD2 . ASP D 4 221 ? 31.744 -53.253 -41.198 1.00 82.88 ? 224 ASP D OD2 1 ATOM 6169 N N . GLU D 4 222 ? 37.192 -54.843 -42.623 1.00 96.96 ? 225 GLU D N 1 ATOM 6170 C CA . GLU D 4 222 ? 38.604 -54.937 -42.245 1.00 99.74 ? 225 GLU D CA 1 ATOM 6171 C C . GLU D 4 222 ? 39.043 -53.763 -41.374 1.00 97.23 ? 225 GLU D C 1 ATOM 6172 O O . GLU D 4 222 ? 38.597 -52.630 -41.573 1.00 94.33 ? 225 GLU D O 1 ATOM 6173 C CB . GLU D 4 222 ? 39.491 -55.031 -43.491 1.00 103.64 ? 225 GLU D CB 1 ATOM 6174 N N . TRP D 4 223 ? 39.916 -54.047 -40.410 1.00 98.97 ? 226 TRP D N 1 ATOM 6175 C CA . TRP D 4 223 ? 40.441 -53.023 -39.506 1.00 97.46 ? 226 TRP D CA 1 ATOM 6176 C C . TRP D 4 223 ? 41.962 -53.107 -39.388 1.00 101.85 ? 226 TRP D C 1 ATOM 6177 O O . TRP D 4 223 ? 42.531 -54.199 -39.344 1.00 105.83 ? 226 TRP D O 1 ATOM 6178 C CB . TRP D 4 223 ? 39.787 -53.129 -38.126 1.00 94.59 ? 226 TRP D CB 1 ATOM 6179 C CG . TRP D 4 223 ? 40.064 -51.946 -37.246 1.00 92.55 ? 226 TRP D CG 1 ATOM 6180 C CD1 . TRP D 4 223 ? 40.919 -51.896 -36.182 1.00 94.22 ? 226 TRP D CD1 1 ATOM 6181 C CD2 . TRP D 4 223 ? 39.495 -50.634 -37.364 1.00 89.03 ? 226 TRP D CD2 1 ATOM 6182 N NE1 . TRP D 4 223 ? 40.914 -50.639 -35.626 1.00 91.56 ? 226 TRP D NE1 1 ATOM 6183 C CE2 . TRP D 4 223 ? 40.049 -49.844 -36.331 1.00 88.43 ? 226 TRP D CE2 1 ATOM 6184 C CE3 . TRP D 4 223 ? 38.570 -50.050 -38.241 1.00 86.65 ? 226 TRP D CE3 1 ATOM 6185 C CZ2 . TRP D 4 223 ? 39.709 -48.497 -36.150 1.00 85.53 ? 226 TRP D CZ2 1 ATOM 6186 C CZ3 . TRP D 4 223 ? 38.230 -48.711 -38.059 1.00 83.88 ? 226 TRP D CZ3 1 ATOM 6187 C CH2 . TRP D 4 223 ? 38.801 -47.950 -37.022 1.00 83.28 ? 226 TRP D CH2 1 ATOM 6188 N N . THR D 4 224 ? 42.611 -51.946 -39.332 1.00 101.70 ? 227 THR D N 1 ATOM 6189 C CA . THR D 4 224 ? 44.074 -51.878 -39.348 1.00 106.35 ? 227 THR D CA 1 ATOM 6190 C C . THR D 4 224 ? 44.677 -50.987 -38.256 1.00 106.06 ? 227 THR D C 1 ATOM 6191 O O . THR D 4 224 ? 45.835 -51.169 -37.876 1.00 110.29 ? 227 THR D O 1 ATOM 6192 C CB . THR D 4 224 ? 44.607 -51.415 -40.732 1.00 108.73 ? 227 THR D CB 1 ATOM 6193 O OG1 . THR D 4 224 ? 43.897 -50.245 -41.160 1.00 105.08 ? 227 THR D OG1 1 ATOM 6194 C CG2 . THR D 4 224 ? 44.442 -52.516 -41.777 1.00 111.14 ? 227 THR D CG2 1 ATOM 6195 N N . GLN D 4 225 ? 43.891 -50.039 -37.750 1.00 101.59 ? 228 GLN D N 1 ATOM 6196 C CA . GLN D 4 225 ? 44.399 -49.012 -36.831 1.00 101.31 ? 228 GLN D CA 1 ATOM 6197 C C . GLN D 4 225 ? 44.803 -49.534 -35.448 1.00 102.46 ? 228 GLN D C 1 ATOM 6198 O O . GLN D 4 225 ? 44.427 -50.641 -35.055 1.00 102.52 ? 228 GLN D O 1 ATOM 6199 C CB . GLN D 4 225 ? 43.404 -47.847 -36.708 1.00 96.59 ? 228 GLN D CB 1 ATOM 6200 C CG . GLN D 4 225 ? 43.207 -47.039 -38.001 1.00 96.59 ? 228 GLN D CG 1 ATOM 6201 C CD . GLN D 4 225 ? 44.513 -46.502 -38.582 0.70 101.32 ? 228 GLN D CD 1 ATOM 6202 O OE1 . GLN D 4 225 ? 45.304 -45.864 -37.886 0.70 103.14 ? 228 GLN D OE1 1 ATOM 6203 N NE2 . GLN D 4 225 ? 44.736 -46.758 -39.865 0.70 103.57 ? 228 GLN D NE2 1 ATOM 6204 N N . ASP D 4 226 ? 45.574 -48.721 -34.726 1.00 103.88 ? 229 ASP D N 1 ATOM 6205 C CA . ASP D 4 226 ? 46.156 -49.101 -33.433 1.00 106.08 ? 229 ASP D CA 1 ATOM 6206 C C . ASP D 4 226 ? 45.142 -49.196 -32.290 1.00 101.80 ? 229 ASP D C 1 ATOM 6207 O O . ASP D 4 226 ? 45.395 -49.867 -31.286 1.00 103.60 ? 229 ASP D O 1 ATOM 6208 C CB . ASP D 4 226 ? 47.289 -48.142 -33.053 1.00 109.45 ? 229 ASP D CB 1 ATOM 6209 N N . ARG D 4 227 ? 44.008 -48.519 -32.440 1.00 96.55 ? 230 ARG D N 1 ATOM 6210 C CA . ARG D 4 227 ? 42.909 -48.633 -31.482 1.00 92.39 ? 230 ARG D CA 1 ATOM 6211 C C . ARG D 4 227 ? 42.145 -49.944 -31.694 1.00 91.68 ? 230 ARG D C 1 ATOM 6212 O O . ARG D 4 227 ? 42.379 -50.660 -32.675 1.00 93.97 ? 230 ARG D O 1 ATOM 6213 C CB . ARG D 4 227 ? 41.958 -47.435 -31.596 1.00 87.77 ? 230 ARG D CB 1 ATOM 6214 N N . ALA D 4 228 ? 41.239 -50.252 -30.768 1.00 88.77 ? 231 ALA D N 1 ATOM 6215 C CA . ALA D 4 228 ? 40.407 -51.449 -30.864 1.00 88.13 ? 231 ALA D CA 1 ATOM 6216 C C . ALA D 4 228 ? 39.351 -51.283 -31.955 1.00 84.86 ? 231 ALA D C 1 ATOM 6217 O O . ALA D 4 228 ? 38.820 -50.185 -32.146 1.00 81.58 ? 231 ALA D O 1 ATOM 6218 C CB . ALA D 4 228 ? 39.755 -51.752 -29.520 1.00 86.50 ? 231 ALA D CB 1 ATOM 6219 N N . LYS D 4 229 ? 39.064 -52.371 -32.669 1.00 86.22 ? 232 LYS D N 1 ATOM 6220 C CA . LYS D 4 229 ? 38.057 -52.373 -33.731 1.00 83.87 ? 232 LYS D CA 1 ATOM 6221 C C . LYS D 4 229 ? 36.704 -51.922 -33.169 1.00 79.25 ? 232 LYS D C 1 ATOM 6222 O O . LYS D 4 229 ? 36.171 -52.565 -32.262 1.00 78.95 ? 232 LYS D O 1 ATOM 6223 C CB . LYS D 4 229 ? 37.950 -53.766 -34.367 1.00 86.97 ? 232 LYS D CB 1 ATOM 6224 C CG . LYS D 4 229 ? 37.119 -53.815 -35.644 1.00 86.04 ? 232 LYS D CG 1 ATOM 6225 C CD . LYS D 4 229 ? 37.008 -55.228 -36.196 1.00 89.39 ? 232 LYS D CD 1 ATOM 6226 N N . PRO D 4 230 ? 36.153 -50.808 -33.700 1.00 76.10 ? 233 PRO D N 1 ATOM 6227 C CA . PRO D 4 230 ? 34.937 -50.171 -33.181 1.00 71.91 ? 233 PRO D CA 1 ATOM 6228 C C . PRO D 4 230 ? 33.659 -50.909 -33.574 1.00 70.96 ? 233 PRO D C 1 ATOM 6229 O O . PRO D 4 230 ? 32.786 -50.334 -34.223 1.00 69.09 ? 233 PRO D O 1 ATOM 6230 C CB . PRO D 4 230 ? 34.963 -48.774 -33.825 1.00 70.42 ? 233 PRO D CB 1 ATOM 6231 C CG . PRO D 4 230 ? 36.243 -48.691 -34.601 1.00 73.62 ? 233 PRO D CG 1 ATOM 6232 C CD . PRO D 4 230 ? 36.667 -50.087 -34.874 1.00 76.98 ? 233 PRO D CD 1 ATOM 6233 N N . VAL D 4 231 ? 33.550 -52.167 -33.157 1.00 72.71 ? 234 VAL D N 1 ATOM 6234 C CA . VAL D 4 231 ? 32.422 -53.025 -33.527 1.00 73.03 ? 234 VAL D CA 1 ATOM 6235 C C . VAL D 4 231 ? 31.117 -52.602 -32.855 1.00 69.66 ? 234 VAL D C 1 ATOM 6236 O O . VAL D 4 231 ? 31.115 -51.740 -31.979 1.00 67.19 ? 234 VAL D O 1 ATOM 6237 C CB . VAL D 4 231 ? 32.701 -54.528 -33.208 1.00 76.77 ? 234 VAL D CB 1 ATOM 6238 C CG1 . VAL D 4 231 ? 33.824 -55.072 -34.081 1.00 80.49 ? 234 VAL D CG1 1 ATOM 6239 C CG2 . VAL D 4 231 ? 33.011 -54.730 -31.721 1.00 77.00 ? 234 VAL D CG2 1 ATOM 6240 N N . THR D 4 232 ? 30.011 -53.209 -33.282 1.00 70.01 ? 235 THR D N 1 ATOM 6241 C CA . THR D 4 232 ? 28.732 -53.059 -32.598 1.00 67.75 ? 235 THR D CA 1 ATOM 6242 C C . THR D 4 232 ? 28.887 -53.614 -31.182 1.00 68.06 ? 235 THR D C 1 ATOM 6243 O O . THR D 4 232 ? 29.371 -54.734 -30.993 1.00 71.22 ? 235 THR D O 1 ATOM 6244 C CB . THR D 4 232 ? 27.594 -53.779 -33.360 1.00 69.24 ? 235 THR D CB 1 ATOM 6245 O OG1 . THR D 4 232 ? 27.489 -53.237 -34.683 1.00 69.26 ? 235 THR D OG1 1 ATOM 6246 C CG2 . THR D 4 232 ? 26.258 -53.611 -32.649 1.00 67.21 ? 235 THR D CG2 1 ATOM 6247 N N . GLN D 4 233 ? 28.499 -52.810 -30.195 1.00 65.19 ? 236 GLN D N 1 ATOM 6248 C CA . GLN D 4 233 ? 28.735 -53.133 -28.789 1.00 65.33 ? 236 GLN D CA 1 ATOM 6249 C C . GLN D 4 233 ? 27.806 -52.375 -27.844 1.00 62.39 ? 236 GLN D C 1 ATOM 6250 O O . GLN D 4 233 ? 27.281 -51.311 -28.186 1.00 59.87 ? 236 GLN D O 1 ATOM 6251 C CB . GLN D 4 233 ? 30.189 -52.832 -28.413 1.00 66.04 ? 236 GLN D CB 1 ATOM 6252 C CG . GLN D 4 233 ? 30.603 -51.385 -28.655 1.00 63.08 ? 236 GLN D CG 1 ATOM 6253 C CD . GLN D 4 233 ? 31.976 -51.066 -28.109 1.00 63.97 ? 236 GLN D CD 1 ATOM 6254 O OE1 . GLN D 4 233 ? 32.896 -50.762 -28.865 1.00 65.28 ? 236 GLN D OE1 1 ATOM 6255 N NE2 . GLN D 4 233 ? 32.123 -51.131 -26.789 1.00 63.90 ? 236 GLN D NE2 1 ATOM 6256 N N . ILE D 4 234 ? 27.621 -52.940 -26.653 1.00 63.16 ? 237 ILE D N 1 ATOM 6257 C CA . ILE D 4 234 ? 26.901 -52.291 -25.564 1.00 60.65 ? 237 ILE D CA 1 ATOM 6258 C C . ILE D 4 234 ? 27.913 -51.711 -24.578 1.00 60.20 ? 237 ILE D C 1 ATOM 6259 O O . ILE D 4 234 ? 28.820 -52.416 -24.125 1.00 62.88 ? 237 ILE D O 1 ATOM 6260 C CB . ILE D 4 234 ? 25.978 -53.288 -24.829 1.00 62.12 ? 237 ILE D CB 1 ATOM 6261 C CG1 . ILE D 4 234 ? 24.803 -53.690 -25.726 1.00 62.55 ? 237 ILE D CG1 1 ATOM 6262 C CG2 . ILE D 4 234 ? 25.489 -52.702 -23.506 1.00 60.18 ? 237 ILE D CG2 1 ATOM 6263 C CD1 . ILE D 4 234 ? 23.979 -54.858 -25.201 1.00 64.95 ? 237 ILE D CD1 1 ATOM 6264 N N . VAL D 4 235 ? 27.765 -50.426 -24.263 1.00 57.41 ? 238 VAL D N 1 ATOM 6265 C CA . VAL D 4 235 ? 28.613 -49.768 -23.270 1.00 57.17 ? 238 VAL D CA 1 ATOM 6266 C C . VAL D 4 235 ? 27.745 -49.323 -22.091 1.00 55.62 ? 238 VAL D C 1 ATOM 6267 O O . VAL D 4 235 ? 26.750 -48.614 -22.279 1.00 53.45 ? 238 VAL D O 1 ATOM 6268 C CB . VAL D 4 235 ? 29.378 -48.556 -23.863 1.00 55.99 ? 238 VAL D CB 1 ATOM 6269 C CG1 . VAL D 4 235 ? 30.448 -48.079 -22.899 1.00 56.53 ? 238 VAL D CG1 1 ATOM 6270 C CG2 . VAL D 4 235 ? 30.007 -48.904 -25.205 1.00 57.55 ? 238 VAL D CG2 1 ATOM 6271 N N . SER D 4 236 ? 28.119 -49.740 -20.881 1.00 57.30 ? 239 SER D N 1 ATOM 6272 C CA . SER D 4 236 ? 27.292 -49.498 -19.695 1.00 56.35 ? 239 SER D CA 1 ATOM 6273 C C . SER D 4 236 ? 28.001 -48.833 -18.523 1.00 56.53 ? 239 SER D C 1 ATOM 6274 O O . SER D 4 236 ? 29.051 -49.299 -18.066 1.00 59.25 ? 239 SER D O 1 ATOM 6275 C CB . SER D 4 236 ? 26.641 -50.797 -19.216 1.00 58.43 ? 239 SER D CB 1 ATOM 6276 O OG . SER D 4 236 ? 25.391 -50.996 -19.845 1.00 57.90 ? 239 SER D OG 1 ATOM 6277 N N . ALA D 4 237 ? 27.408 -47.742 -18.043 1.00 54.21 ? 240 ALA D N 1 ATOM 6278 C CA . ALA D 4 237 ? 27.803 -47.124 -16.780 1.00 54.54 ? 240 ALA D CA 1 ATOM 6279 C C . ALA D 4 237 ? 26.748 -47.422 -15.716 1.00 54.43 ? 240 ALA D C 1 ATOM 6280 O O . ALA D 4 237 ? 25.564 -47.547 -16.031 1.00 53.26 ? 240 ALA D O 1 ATOM 6281 C CB . ALA D 4 237 ? 27.986 -45.634 -16.947 1.00 52.43 ? 240 ALA D CB 1 ATOM 6282 N N . GLU D 4 238 ? 27.177 -47.532 -14.460 1.00 56.28 ? 241 GLU D N 1 ATOM 6283 C CA . GLU D 4 238 ? 26.273 -47.949 -13.385 1.00 56.86 ? 241 GLU D CA 1 ATOM 6284 C C . GLU D 4 238 ? 26.507 -47.240 -12.048 1.00 56.96 ? 241 GLU D C 1 ATOM 6285 O O . GLU D 4 238 ? 27.614 -46.777 -11.763 1.00 57.93 ? 241 GLU D O 1 ATOM 6286 C CB . GLU D 4 238 ? 26.328 -49.471 -13.197 1.00 60.18 ? 241 GLU D CB 1 ATOM 6287 C CG . GLU D 4 238 ? 27.691 -50.005 -12.813 1.00 64.21 ? 241 GLU D CG 1 ATOM 6288 C CD . GLU D 4 238 ? 27.597 -51.216 -11.920 1.00 69.09 ? 241 GLU D CD 1 ATOM 6289 O OE1 . GLU D 4 238 ? 27.027 -52.237 -12.364 1.00 71.47 ? 241 GLU D OE1 1 ATOM 6290 O OE2 . GLU D 4 238 ? 28.097 -51.149 -10.774 1.00 71.23 ? 241 GLU D OE2 1 ATOM 6291 N N . ALA D 4 239 ? 25.444 -47.172 -11.245 1.00 56.38 ? 242 ALA D N 1 ATOM 6292 C CA . ALA D 4 239 ? 25.463 -46.558 -9.920 1.00 56.76 ? 242 ALA D CA 1 ATOM 6293 C C . ALA D 4 239 ? 24.647 -47.380 -8.924 1.00 58.60 ? 242 ALA D C 1 ATOM 6294 O O . ALA D 4 239 ? 23.700 -48.074 -9.308 1.00 58.68 ? 242 ALA D O 1 ATOM 6295 C CB . ALA D 4 239 ? 24.922 -45.141 -9.992 1.00 53.68 ? 242 ALA D CB 1 ATOM 6296 N N . TRP D 4 240 ? 25.023 -47.299 -7.650 1.00 60.67 ? 243 TRP D N 1 ATOM 6297 C CA . TRP D 4 240 ? 24.242 -47.890 -6.563 1.00 62.57 ? 243 TRP D CA 1 ATOM 6298 C C . TRP D 4 240 ? 23.672 -46.807 -5.643 1.00 61.08 ? 243 TRP D C 1 ATOM 6299 O O . TRP D 4 240 ? 24.243 -45.714 -5.521 1.00 59.84 ? 243 TRP D O 1 ATOM 6300 C CB . TRP D 4 240 ? 25.095 -48.859 -5.751 1.00 67.04 ? 243 TRP D CB 1 ATOM 6301 C CG . TRP D 4 240 ? 25.450 -50.120 -6.476 1.00 69.82 ? 243 TRP D CG 1 ATOM 6302 C CD1 . TRP D 4 240 ? 26.507 -50.309 -7.316 1.00 70.84 ? 243 TRP D CD1 1 ATOM 6303 C CD2 . TRP D 4 240 ? 24.760 -51.375 -6.410 1.00 72.32 ? 243 TRP D CD2 1 ATOM 6304 N NE1 . TRP D 4 240 ? 26.518 -51.600 -7.782 1.00 73.75 ? 243 TRP D NE1 1 ATOM 6305 C CE2 . TRP D 4 240 ? 25.456 -52.277 -7.243 1.00 74.84 ? 243 TRP D CE2 1 ATOM 6306 C CE3 . TRP D 4 240 ? 23.620 -51.824 -5.731 1.00 73.35 ? 243 TRP D CE3 1 ATOM 6307 C CZ2 . TRP D 4 240 ? 25.050 -53.606 -7.417 1.00 78.36 ? 243 TRP D CZ2 1 ATOM 6308 C CZ3 . TRP D 4 240 ? 23.214 -53.145 -5.905 1.00 76.88 ? 243 TRP D CZ3 1 ATOM 6309 C CH2 . TRP D 4 240 ? 23.930 -54.019 -6.743 1.00 79.38 ? 243 TRP D CH2 1 ATOM 6310 N N . GLY D 4 241 ? 22.552 -47.125 -4.994 1.00 61.58 ? 244 GLY D N 1 ATOM 6311 C CA . GLY D 4 241 ? 21.874 -46.197 -4.088 1.00 60.52 ? 244 GLY D CA 1 ATOM 6312 C C . GLY D 4 241 ? 22.664 -45.862 -2.836 1.00 62.62 ? 244 GLY D C 1 ATOM 6313 O O . GLY D 4 241 ? 23.362 -46.716 -2.288 1.00 65.95 ? 244 GLY D O 1 ATOM 6314 N N . ARG D 4 242 ? 22.544 -44.613 -2.387 1.00 61.15 ? 245 ARG D N 1 ATOM 6315 C CA . ARG D 4 242 ? 23.289 -44.110 -1.232 1.00 63.17 ? 245 ARG D CA 1 ATOM 6316 C C . ARG D 4 242 ? 22.380 -43.751 -0.063 1.00 63.60 ? 245 ARG D C 1 ATOM 6317 O O . ARG D 4 242 ? 21.561 -42.829 -0.159 1.00 61.05 ? 245 ARG D O 1 ATOM 6318 C CB . ARG D 4 242 ? 24.107 -42.872 -1.610 1.00 61.81 ? 245 ARG D CB 1 ATOM 6319 C CG . ARG D 4 242 ? 25.343 -43.137 -2.443 1.00 63.00 ? 245 ARG D CG 1 ATOM 6320 C CD . ARG D 4 242 ? 26.095 -41.840 -2.737 1.00 62.79 ? 245 ARG D CD 1 ATOM 6321 N NE . ARG D 4 242 ? 25.244 -40.834 -3.378 0.70 59.65 ? 245 ARG D NE 1 ATOM 6322 C CZ . ARG D 4 242 ? 25.686 -39.732 -3.985 0.70 58.78 ? 245 ARG D CZ 1 ATOM 6323 N NH1 . ARG D 4 242 ? 26.986 -39.472 -4.063 0.70 60.63 ? 245 ARG D NH1 1 ATOM 6324 N NH2 . ARG D 4 242 ? 24.821 -38.889 -4.531 0.70 56.26 ? 245 ARG D NH2 1 ATOM 6325 N N . ALA D 4 243 ? 22.542 -44.476 1.042 1.00 67.20 ? 246 ALA D N 1 ATOM 6326 C CA . ALA D 4 243 ? 21.909 -44.116 2.310 1.00 68.47 ? 246 ALA D CA 1 ATOM 6327 C C . ALA D 4 243 ? 22.406 -42.745 2.789 1.00 68.00 ? 246 ALA D C 1 ATOM 6328 O O . ALA D 4 243 ? 21.600 -41.847 3.040 1.00 66.29 ? 246 ALA D O 1 ATOM 6329 C CB . ALA D 4 243 ? 22.166 -45.189 3.362 1.00 72.85 ? 246 ALA D CB 1 ATOM 6330 N N . ASP D 4 244 ? 23.732 -42.597 2.884 1.00 70.11 ? 247 ASP D N 1 ATOM 6331 C CA . ASP D 4 244 ? 24.405 -41.348 3.301 1.00 70.63 ? 247 ASP D CA 1 ATOM 6332 C C . ASP D 4 244 ? 23.893 -40.731 4.608 1.00 71.95 ? 247 ASP D C 1 ATOM 6333 O O . ASP D 4 244 ? 24.639 -40.052 5.320 1.00 74.11 ? 247 ASP D O 1 ATOM 6334 C CB . ASP D 4 244 ? 24.395 -40.300 2.176 1.00 67.24 ? 247 ASP D CB 1 ATOM 6335 C CG . ASP D 4 244 ? 25.715 -40.236 1.423 1.00 68.24 ? 247 ASP D CG 1 ATOM 6336 O OD1 . ASP D 4 244 ? 26.771 -40.494 2.044 1.00 71.61 ? 247 ASP D OD1 1 ATOM 6337 O OD2 . ASP D 4 244 ? 25.699 -39.914 0.212 1.00 65.95 ? 247 ASP D OD2 1 HETATM 6338 C C1 . NAG E 5 . ? 8.947 -48.057 -78.306 1.00 93.62 ? 400 NAG A C1 1 HETATM 6339 C C2 . NAG E 5 . ? 10.420 -47.692 -78.482 1.00 99.93 ? 400 NAG A C2 1 HETATM 6340 C C3 . NAG E 5 . ? 10.621 -46.463 -79.375 1.00 102.41 ? 400 NAG A C3 1 HETATM 6341 C C4 . NAG E 5 . ? 9.697 -46.375 -80.601 1.00 100.74 ? 400 NAG A C4 1 HETATM 6342 C C5 . NAG E 5 . ? 8.275 -46.866 -80.259 1.00 94.95 ? 400 NAG A C5 1 HETATM 6343 C C6 . NAG E 5 . ? 7.388 -47.068 -81.488 1.00 93.23 ? 400 NAG A C6 1 HETATM 6344 C C7 . NAG E 5 . ? 12.018 -48.185 -76.697 1.00 104.28 ? 400 NAG A C7 1 HETATM 6345 C C8 . NAG E 5 . ? 12.512 -47.815 -75.328 1.00 105.09 ? 400 NAG A C8 1 HETATM 6346 N N2 . NAG E 5 . ? 11.009 -47.455 -77.176 1.00 101.09 ? 400 NAG A N2 1 HETATM 6347 O O3 . NAG E 5 . ? 11.965 -46.414 -79.797 1.00 107.85 ? 400 NAG A O3 1 HETATM 6348 O O4 . NAG E 5 . ? 9.652 -44.967 -80.912 1.00 102.63 ? 400 NAG A O4 1 HETATM 6349 O O5 . NAG E 5 . ? 8.315 -48.103 -79.570 1.00 93.33 ? 400 NAG A O5 1 HETATM 6350 O O6 . NAG E 5 . ? 7.744 -48.260 -82.154 1.00 94.45 ? 400 NAG A O6 1 HETATM 6351 O O7 . NAG E 5 . ? 12.540 -49.116 -77.314 1.00 106.41 ? 400 NAG A O7 1 HETATM 6352 C C1 . NAG F 5 . ? 9.874 -44.583 -82.280 1.00 105.88 ? 401 NAG A C1 1 HETATM 6353 C C2 . NAG F 5 . ? 11.323 -44.791 -82.749 1.00 111.76 ? 401 NAG A C2 1 HETATM 6354 C C3 . NAG F 5 . ? 11.506 -44.234 -84.163 1.00 115.26 ? 401 NAG A C3 1 HETATM 6355 C C4 . NAG F 5 . ? 10.389 -44.657 -85.123 1.00 112.16 ? 401 NAG A C4 1 HETATM 6356 C C5 . NAG F 5 . ? 9.005 -44.499 -84.487 1.00 106.49 ? 401 NAG A C5 1 HETATM 6357 C C6 . NAG F 5 . ? 7.907 -45.075 -85.379 1.00 103.54 ? 401 NAG A C6 1 HETATM 6358 N N2 . NAG F 5 . ? 12.259 -44.156 -81.835 1.00 114.72 ? 401 NAG A N2 1 HETATM 6359 O O3 . NAG F 5 . ? 12.760 -44.626 -84.679 1.00 120.81 ? 401 NAG A O3 1 HETATM 6360 O O4 . NAG F 5 . ? 10.455 -43.868 -86.291 1.00 115.10 ? 401 NAG A O4 1 HETATM 6361 O O5 . NAG F 5 . ? 8.976 -45.146 -83.226 1.00 103.94 ? 401 NAG A O5 1 HETATM 6362 C C1 . NAG G 5 . ? -0.129 -40.118 -76.646 1.00 70.99 ? 314 NAG A C1 1 HETATM 6363 C C2 . NAG G 5 . ? 1.320 -39.863 -77.063 1.00 75.03 ? 314 NAG A C2 1 HETATM 6364 C C3 . NAG G 5 . ? 2.280 -39.839 -75.871 1.00 76.93 ? 314 NAG A C3 1 HETATM 6365 C C4 . NAG G 5 . ? 1.756 -39.088 -74.642 1.00 76.80 ? 314 NAG A C4 1 HETATM 6366 C C5 . NAG G 5 . ? 0.259 -39.360 -74.422 1.00 72.55 ? 314 NAG A C5 1 HETATM 6367 C C6 . NAG G 5 . ? -0.369 -38.437 -73.380 1.00 72.21 ? 314 NAG A C6 1 HETATM 6368 C C7 . NAG G 5 . ? 2.212 -40.630 -79.232 1.00 77.31 ? 314 NAG A C7 1 HETATM 6369 C C8 . NAG G 5 . ? 2.295 -39.207 -79.708 1.00 79.97 ? 314 NAG A C8 1 HETATM 6370 N N2 . NAG G 5 . ? 1.754 -40.881 -78.004 1.00 74.96 ? 314 NAG A N2 1 HETATM 6371 O O3 . NAG G 5 . ? 3.492 -39.247 -76.277 1.00 81.00 ? 314 NAG A O3 1 HETATM 6372 O O4 . NAG G 5 . ? 2.524 -39.524 -73.526 1.00 78.80 ? 314 NAG A O4 1 HETATM 6373 O O5 . NAG G 5 . ? -0.463 -39.196 -75.628 1.00 71.26 ? 314 NAG A O5 1 HETATM 6374 O O6 . NAG G 5 . ? -0.699 -37.199 -73.974 1.00 73.84 ? 314 NAG A O6 1 HETATM 6375 O O7 . NAG G 5 . ? 2.565 -41.536 -79.981 1.00 77.91 ? 314 NAG A O7 1 HETATM 6376 C C1 . NAG H 5 . ? 3.218 -38.487 -72.770 1.00 82.62 ? 315 NAG A C1 1 HETATM 6377 C C2 . NAG H 5 . ? 4.467 -37.937 -73.471 1.00 87.25 ? 315 NAG A C2 1 HETATM 6378 C C3 . NAG H 5 . ? 5.146 -36.815 -72.677 1.00 91.19 ? 315 NAG A C3 1 HETATM 6379 C C4 . NAG H 5 . ? 4.214 -35.941 -71.825 1.00 90.37 ? 315 NAG A C4 1 HETATM 6380 C C5 . NAG H 5 . ? 2.999 -36.703 -71.285 1.00 85.46 ? 315 NAG A C5 1 HETATM 6381 C C6 . NAG H 5 . ? 1.949 -35.789 -70.659 1.00 84.58 ? 315 NAG A C6 1 HETATM 6382 N N2 . NAG H 5 . ? 5.414 -39.010 -73.696 1.00 88.14 ? 315 NAG A N2 1 HETATM 6383 O O4 . NAG H 5 . ? 4.954 -35.415 -70.743 1.00 93.73 ? 315 NAG A O4 1 HETATM 6384 O O5 . NAG H 5 . ? 2.396 -37.420 -72.339 1.00 82.71 ? 315 NAG A O5 1 HETATM 6385 C C1 . NAG I 5 . ? -26.987 -51.121 -63.396 1.00 64.89 ? 501 NAG A C1 1 HETATM 6386 C C2 . NAG I 5 . ? -27.134 -51.188 -61.882 1.00 66.78 ? 501 NAG A C2 1 HETATM 6387 C C3 . NAG I 5 . ? -26.760 -52.584 -61.406 1.00 68.21 ? 501 NAG A C3 1 HETATM 6388 C C4 . NAG I 5 . ? -27.474 -53.699 -62.187 1.00 70.39 ? 501 NAG A C4 1 HETATM 6389 C C5 . NAG I 5 . ? -27.581 -53.401 -63.690 1.00 68.40 ? 501 NAG A C5 1 HETATM 6390 C C6 . NAG I 5 . ? -28.656 -54.262 -64.348 1.00 71.12 ? 501 NAG A C6 1 HETATM 6391 C C7 . NAG I 5 . ? -26.712 -48.966 -60.930 1.00 65.62 ? 501 NAG A C7 1 HETATM 6392 C C8 . NAG I 5 . ? -25.712 -48.077 -60.250 1.00 64.26 ? 501 NAG A C8 1 HETATM 6393 N N2 . NAG I 5 . ? -26.298 -50.201 -61.223 1.00 64.98 ? 501 NAG A N2 1 HETATM 6394 O O3 . NAG I 5 . ? -27.060 -52.671 -60.031 1.00 70.65 ? 501 NAG A O3 1 HETATM 6395 O O4 . NAG I 5 . ? -26.770 -54.917 -62.030 1.00 71.67 ? 501 NAG A O4 1 HETATM 6396 O O5 . NAG I 5 . ? -27.898 -52.044 -63.948 1.00 67.23 ? 501 NAG A O5 1 HETATM 6397 O O6 . NAG I 5 . ? -28.948 -53.760 -65.636 1.00 69.77 ? 501 NAG A O6 1 HETATM 6398 O O7 . NAG I 5 . ? -27.837 -48.539 -61.193 1.00 67.22 ? 501 NAG A O7 1 HETATM 6399 C C1 . NAG J 5 . ? -27.396 -55.766 -61.040 1.00 76.69 ? 502 NAG A C1 1 HETATM 6400 C C2 . NAG J 5 . ? -27.019 -57.229 -61.251 1.00 78.01 ? 502 NAG A C2 1 HETATM 6401 C C3 . NAG J 5 . ? -27.589 -58.128 -60.150 1.00 82.49 ? 502 NAG A C3 1 HETATM 6402 C C4 . NAG J 5 . ? -27.368 -57.543 -58.752 1.00 83.26 ? 502 NAG A C4 1 HETATM 6403 C C5 . NAG J 5 . ? -27.793 -56.070 -58.696 1.00 82.26 ? 502 NAG A C5 1 HETATM 6404 C C6 . NAG J 5 . ? -27.430 -55.410 -57.363 1.00 82.64 ? 502 NAG A C6 1 HETATM 6405 C C7 . NAG J 5 . ? -26.721 -58.196 -63.479 1.00 76.65 ? 502 NAG A C7 1 HETATM 6406 C C8 . NAG J 5 . ? -27.381 -58.560 -64.778 1.00 77.38 ? 502 NAG A C8 1 HETATM 6407 N N2 . NAG J 5 . ? -27.509 -57.642 -62.555 1.00 78.35 ? 502 NAG A N2 1 HETATM 6408 O O3 . NAG J 5 . ? -27.006 -59.410 -60.222 1.00 83.23 ? 502 NAG A O3 1 HETATM 6409 O O4 . NAG J 5 . ? -28.089 -58.303 -57.804 1.00 87.90 ? 502 NAG A O4 1 HETATM 6410 O O5 . NAG J 5 . ? -27.101 -55.324 -59.704 1.00 77.82 ? 502 NAG A O5 1 HETATM 6411 O O6 . NAG J 5 . ? -26.235 -54.666 -57.501 1.00 78.66 ? 502 NAG A O6 1 HETATM 6412 O O7 . NAG J 5 . ? -25.517 -58.414 -63.315 1.00 74.77 ? 502 NAG A O7 1 HETATM 6413 C C1 . DB3 K 6 . ? -9.562 -44.082 -62.741 1.00 51.06 ? 650 DB3 A C1 1 HETATM 6414 C C2 . DB3 K 6 . ? -9.940 -45.082 -63.845 1.00 49.94 ? 650 DB3 A C2 1 HETATM 6415 N N2 . DB3 K 6 . ? -11.410 -45.154 -63.929 1.00 50.26 ? 650 DB3 A N2 1 HETATM 6416 C C3 . DB3 K 6 . ? -9.368 -46.469 -63.505 1.00 49.10 ? 650 DB3 A C3 1 HETATM 6417 O O3 . DB3 K 6 . ? -7.939 -46.366 -63.487 1.00 49.95 ? 650 DB3 A O3 1 HETATM 6418 C C4 . DB3 K 6 . ? -9.734 -47.628 -64.441 1.00 47.87 ? 650 DB3 A C4 1 HETATM 6419 O O4 . DB3 K 6 . ? -8.869 -48.740 -64.155 1.00 48.36 ? 650 DB3 A O4 1 HETATM 6420 C C5 . DB3 K 6 . ? -9.630 -47.308 -65.932 1.00 46.52 ? 650 DB3 A C5 1 HETATM 6421 C C6 . DB3 K 6 . ? -9.475 -48.574 -66.774 1.00 45.21 ? 650 DB3 A C6 1 HETATM 6422 C C7 . DB3 K 6 . ? -10.819 -49.176 -67.157 1.00 44.02 ? 650 DB3 A C7 1 HETATM 6423 C C8 . DB3 K 6 . ? -10.770 -49.697 -68.585 1.00 43.56 ? 650 DB3 A C8 1 HETATM 6424 C C9 . DB3 K 6 . ? -11.075 -51.189 -68.635 1.00 43.74 ? 650 DB3 A C9 1 HETATM 6425 C C10 . DB3 K 6 . ? -9.808 -52.016 -68.814 1.00 44.37 ? 650 DB3 A C10 1 HETATM 6426 C C11 . DB3 K 6 . ? -10.027 -53.112 -69.844 1.00 44.42 ? 650 DB3 A C11 1 HETATM 6427 C C12 . DB3 K 6 . ? -9.935 -54.481 -69.187 1.00 45.91 ? 650 DB3 A C12 1 HETATM 6428 C C13 . DB3 K 6 . ? -8.955 -55.378 -69.931 1.00 47.12 ? 650 DB3 A C13 1 HETATM 6429 C C14 . DB3 K 6 . ? -7.682 -55.571 -69.117 1.00 48.07 ? 650 DB3 A C14 1 HETATM 6430 C C15 . DB3 K 6 . ? -6.769 -56.602 -69.768 1.00 49.38 ? 650 DB3 A C15 1 HETATM 6431 C C16 . DB3 K 6 . ? -5.316 -56.159 -69.686 1.00 49.79 ? 650 DB3 A C16 1 HETATM 6432 C C17 . DB3 K 6 . ? -4.389 -57.323 -70.005 1.00 51.93 ? 650 DB3 A C17 1 HETATM 6433 C C18 . DB3 K 6 . ? -2.971 -56.840 -70.208 1.00 53.04 ? 650 DB3 A C18 1 HETATM 6434 C C1A . DB3 K 6 . ? -9.524 -43.863 -60.356 1.00 52.03 ? 650 DB3 A C1A 1 HETATM 6435 O O1A . DB3 K 6 . ? -10.117 -44.490 -61.494 1.00 51.17 ? 650 DB3 A O1A 1 HETATM 6436 C C2A . DB3 K 6 . ? -9.811 -44.722 -59.131 1.00 52.18 ? 650 DB3 A C2A 1 HETATM 6437 O O2A . DB3 K 6 . ? -9.294 -46.036 -59.332 1.00 51.95 ? 650 DB3 A O2A 1 HETATM 6438 C C3A . DB3 K 6 . ? -11.312 -44.786 -58.869 1.00 51.64 ? 650 DB3 A C3A 1 HETATM 6439 O O3A . DB3 K 6 . ? -11.539 -45.511 -57.660 1.00 52.62 ? 650 DB3 A O3A 1 HETATM 6440 C C4A . DB3 K 6 . ? -11.907 -43.382 -58.761 1.00 53.01 ? 650 DB3 A C4A 1 HETATM 6441 O O4A . DB3 K 6 . ? -11.486 -42.757 -57.541 1.00 55.81 ? 650 DB3 A O4A 1 HETATM 6442 O O5A . DB3 K 6 . ? -11.320 -40.268 -60.804 1.00 53.05 ? 650 DB3 A O5A 1 HETATM 6443 C C5M . DB3 K 6 . ? -11.493 -42.520 -59.954 1.00 52.23 ? 650 DB3 A C5M 1 HETATM 6444 C C6A . DB3 K 6 . ? -11.943 -41.073 -59.798 1.00 53.47 ? 650 DB3 A C6A 1 HETATM 6445 O O6A . DB3 K 6 . ? -10.072 -42.557 -60.130 1.00 52.92 ? 650 DB3 A O6A 1 HETATM 6446 C CAA . DB3 K 6 . ? -12.240 -44.153 -64.299 1.00 50.92 ? 650 DB3 A CAA 1 HETATM 6447 O OAA . DB3 K 6 . ? -11.901 -43.013 -64.607 1.00 51.67 ? 650 DB3 A OAA 1 HETATM 6448 C CAB . DB3 K 6 . ? -13.712 -44.498 -64.316 1.00 50.54 ? 650 DB3 A CAB 1 HETATM 6449 C CAC . DB3 K 6 . ? -14.303 -44.176 -65.686 1.00 49.88 ? 650 DB3 A CAC 1 HETATM 6450 C CAD . DB3 K 6 . ? -14.597 -45.443 -66.484 1.00 49.05 ? 650 DB3 A CAD 1 HETATM 6451 C CAE . DB3 K 6 . ? -14.795 -45.132 -67.964 1.00 48.89 ? 650 DB3 A CAE 1 HETATM 6452 C CAF . DB3 K 6 . ? -15.282 -46.354 -68.743 1.00 48.98 ? 650 DB3 A CAF 1 HETATM 6453 C CAG . DB3 K 6 . ? -14.732 -46.378 -70.169 0.70 48.56 ? 650 DB3 A CAG 1 HETATM 6454 C CAH . DB3 K 6 . ? -15.730 -45.830 -71.188 0.70 48.85 ? 650 DB3 A CAH 1 HETATM 6455 C CAI . DB3 K 6 . ? -15.493 -46.430 -72.572 0.70 48.86 ? 650 DB3 A CAI 1 HETATM 6456 C CAJ . DB3 K 6 . ? -15.334 -45.359 -73.651 0.70 49.33 ? 650 DB3 A CAJ 1 HETATM 6457 C CAK . DB3 K 6 . ? -13.874 -45.213 -74.035 0.70 49.60 ? 650 DB3 A CAK 1 HETATM 6458 C CAL . DB3 K 6 . ? -13.428 -44.495 -75.074 0.70 50.16 ? 650 DB3 A CAL 1 HETATM 6459 C CAM . DB3 K 6 . ? -14.324 -43.729 -76.025 0.70 50.76 ? 650 DB3 A CAM 1 HETATM 6460 C CAN . DB3 K 6 . ? -14.580 -42.341 -75.486 0.70 51.58 ? 650 DB3 A CAN 1 HETATM 6461 C CAO . DB3 K 6 . ? -15.339 -41.485 -76.165 0.70 51.93 ? 650 DB3 A CAO 1 HETATM 6462 C CAP . DB3 K 6 . ? -15.594 -40.102 -75.607 0.70 52.64 ? 650 DB3 A CAP 1 HETATM 6463 C CAQ . DB3 K 6 . ? -16.972 -39.595 -76.037 0.70 52.81 ? 650 DB3 A CAQ 1 HETATM 6464 C CAR . DB3 K 6 . ? -18.105 -40.168 -75.190 0.70 51.46 ? 650 DB3 A CAR 1 HETATM 6465 C CAS . DB3 K 6 . ? -19.458 -39.651 -75.656 0.70 52.04 ? 650 DB3 A CAS 1 HETATM 6466 C CAT . DB3 K 6 . ? -20.535 -40.011 -74.656 0.70 52.34 ? 650 DB3 A CAT 1 HETATM 6467 O O . HOH L 7 . ? -28.067 -35.277 -74.020 1.00 48.06 ? 303 HOH A O 1 HETATM 6468 O O . HOH L 7 . ? -26.885 -59.596 -55.771 1.00 69.66 ? 304 HOH A O 1 HETATM 6469 O O . HOH L 7 . ? 1.007 -39.056 -70.239 1.00 56.34 ? 305 HOH A O 1 HETATM 6470 O O . HOH L 7 . ? -17.826 -62.228 -113.217 1.00 35.02 ? 306 HOH A O 1 HETATM 6471 O O . HOH L 7 . ? -27.931 -63.196 -114.078 1.00 38.56 ? 307 HOH A O 1 HETATM 6472 O O . HOH L 7 . ? -15.115 -67.437 -69.652 1.00 59.78 ? 308 HOH A O 1 HETATM 6473 O O . HOH L 7 . ? -8.064 -40.203 -77.173 1.00 50.88 ? 309 HOH A O 1 HETATM 6474 O O . HOH L 7 . ? -28.565 -40.579 -116.567 1.00 46.72 ? 310 HOH A O 1 HETATM 6475 O O . HOH L 7 . ? -1.980 -47.610 -62.557 1.00 52.13 ? 311 HOH A O 1 HETATM 6476 O O . HOH L 7 . ? 2.509 -59.155 -79.064 1.00 51.15 ? 312 HOH A O 1 HETATM 6477 O O . HOH L 7 . ? -10.321 -68.821 -66.817 1.00 56.12 ? 313 HOH A O 1 HETATM 6478 O O . HOH L 7 . ? -28.007 -53.364 -68.370 1.00 57.96 ? 316 HOH A O 1 HETATM 6479 O O . HOH L 7 . ? -22.279 -60.729 -111.158 1.00 45.84 ? 317 HOH A O 1 HETATM 6480 O O . HOH L 7 . ? -13.017 -62.124 -80.921 1.00 52.89 ? 318 HOH A O 1 HETATM 6481 O O . HOH M 7 . ? -2.360 -58.468 -85.427 1.00 58.37 ? 100 HOH B O 1 HETATM 6482 O O . HOH M 7 . ? -6.260 -37.949 -121.474 1.00 61.80 ? 101 HOH B O 1 HETATM 6483 O O . HOH M 7 . ? -18.445 -41.407 -117.631 1.00 44.63 ? 102 HOH B O 1 HETATM 6484 O O . HOH M 7 . ? -16.074 -52.467 -94.601 1.00 38.43 ? 103 HOH B O 1 HETATM 6485 O O . HOH N 7 . ? 32.853 -34.151 -4.434 1.00 59.36 ? 211 HOH C O 1 HETATM 6486 O O . HOH N 7 . ? -6.058 -27.650 -51.994 1.00 32.31 ? 212 HOH C O 1 HETATM 6487 O O . HOH N 7 . ? 3.988 -44.891 -35.065 1.00 44.42 ? 213 HOH C O 1 HETATM 6488 O O . HOH N 7 . ? -7.116 -46.744 -38.026 1.00 48.20 ? 214 HOH C O 1 HETATM 6489 O O . HOH N 7 . ? 24.916 -26.759 -26.777 1.00 56.92 ? 215 HOH C O 1 HETATM 6490 O O . HOH N 7 . ? -1.671 -24.664 -11.248 1.00 69.61 ? 216 HOH C O 1 HETATM 6491 O O . HOH N 7 . ? 12.630 -22.857 -7.420 1.00 42.50 ? 217 HOH C O 1 HETATM 6492 O O . HOH N 7 . ? 30.133 -30.020 -15.766 1.00 37.73 ? 218 HOH C O 1 HETATM 6493 O O . HOH N 7 . ? 5.217 -33.928 -50.214 1.00 49.41 ? 219 HOH C O 1 HETATM 6494 O O . HOH N 7 . ? 29.998 -43.489 -13.768 1.00 57.57 ? 220 HOH C O 1 HETATM 6495 O O . HOH N 7 . ? 4.505 -27.786 -54.469 1.00 66.79 ? 221 HOH C O 1 HETATM 6496 O O . HOH O 7 . ? 27.405 -38.410 -6.543 1.00 52.67 ? 248 HOH D O 1 HETATM 6497 O O . HOH O 7 . ? 21.042 -40.063 -0.356 1.00 53.12 ? 249 HOH D O 1 HETATM 6498 O O . HOH O 7 . ? 8.658 -48.507 -16.384 1.00 61.36 ? 250 HOH D O 1 HETATM 6499 O O . HOH O 7 . ? -2.260 -49.072 -43.063 1.00 47.23 ? 251 HOH D O 1 HETATM 6500 O O . HOH O 7 . ? 20.137 -41.195 -40.546 1.00 51.05 ? 252 HOH D O 1 HETATM 6501 O O . HOH O 7 . ? 24.161 -36.895 -2.790 1.00 46.13 ? 253 HOH D 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 . ASN A 7 ? 0.7167 1.2101 1.0670 0.0684 -0.2299 -0.2045 7 ASN A N 2 C CA . ASN A 7 ? 0.7148 1.1356 1.0332 0.0481 -0.2197 -0.2067 7 ASN A CA 3 C C . ASN A 7 ? 0.7178 1.0678 0.9727 0.0756 -0.2044 -0.2146 7 ASN A C 4 O O . ASN A 7 ? 0.7429 1.0559 0.9595 0.0911 -0.2187 -0.2249 7 ASN A O 5 C CB . ASN A 7 ? 0.7427 1.1353 1.0615 0.0167 -0.2491 -0.2141 7 ASN A CB 6 C CG . ASN A 7 ? 0.7441 1.1867 1.1218 -0.0248 -0.2591 -0.2019 7 ASN A CG 7 O OD1 . ASN A 7 ? 0.7307 1.1776 1.1245 -0.0432 -0.2390 -0.1892 7 ASN A OD1 8 N ND2 . ASN A 7 ? 0.7612 1.2409 1.1699 -0.0416 -0.2915 -0.2047 7 ASN A ND2 9 N N . TYR A 8 ? 0.6946 1.0287 0.9385 0.0803 -0.1759 -0.2088 8 TYR A N 10 C CA . TYR A 8 ? 0.6970 0.9679 0.8863 0.0990 -0.1600 -0.2135 8 TYR A CA 11 C C . TYR A 8 ? 0.6734 0.9164 0.8557 0.0826 -0.1390 -0.2097 8 TYR A C 12 O O . TYR A 8 ? 0.6532 0.9290 0.8640 0.0750 -0.1244 -0.2010 8 TYR A O 13 C CB . TYR A 8 ? 0.7057 0.9826 0.8782 0.1336 -0.1493 -0.2120 8 TYR A CB 14 C CG . TYR A 8 ? 0.7442 1.0119 0.8920 0.1580 -0.1682 -0.2179 8 TYR A CG 15 C CD1 . TYR A 8 ? 0.7723 0.9763 0.8647 0.1681 -0.1691 -0.2224 8 TYR A CD1 16 C CD2 . TYR A 8 ? 0.7596 1.0871 0.9394 0.1715 -0.1852 -0.2174 8 TYR A CD2 17 C CE1 . TYR A 8 ? 0.8120 1.0052 0.8764 0.1915 -0.1863 -0.2259 8 TYR A CE1 18 C CE2 . TYR A 8 ? 0.7960 1.1149 0.9502 0.1966 -0.2044 -0.2227 8 TYR A CE2 19 C CZ . TYR A 8 ? 0.8240 1.0721 0.9180 0.2067 -0.2049 -0.2267 8 TYR A CZ 20 O OH . TYR A 8 ? 0.8624 1.0998 0.9263 0.2325 -0.2236 -0.2302 8 TYR A OH 21 N N . THR A 9 ? 0.6770 0.8639 0.8206 0.0794 -0.1375 -0.2159 9 THR A N 22 C CA . THR A 9 ? 0.6559 0.8169 0.7908 0.0659 -0.1204 -0.2136 9 THR A CA 23 C C . THR A 9 ? 0.6542 0.7817 0.7520 0.0815 -0.1012 -0.2140 9 THR A C 24 O O . THR A 9 ? 0.6748 0.7710 0.7367 0.0941 -0.1040 -0.2183 9 THR A O 25 C CB . THR A 9 ? 0.6673 0.7951 0.7895 0.0496 -0.1331 -0.2201 9 THR A CB 26 O OG1 . THR A 9 ? 0.6774 0.8264 0.8282 0.0334 -0.1570 -0.2212 9 THR A OG1 27 C CG2 . THR A 9 ? 0.6497 0.7625 0.7725 0.0358 -0.1180 -0.2160 9 THR A CG2 28 N N . PHE A 10 ? 0.6337 0.7683 0.7391 0.0792 -0.0824 -0.2087 10 PHE A N 29 C CA . PHE A 10 ? 0.6366 0.7393 0.7100 0.0884 -0.0662 -0.2090 10 PHE A CA 30 C C . PHE A 10 ? 0.6264 0.7107 0.6931 0.0724 -0.0567 -0.2091 10 PHE A C 31 O O . PHE A 10 ? 0.6114 0.7140 0.7014 0.0600 -0.0525 -0.2054 10 PHE A O 32 C CB . PHE A 10 ? 0.6317 0.7532 0.7130 0.1014 -0.0547 -0.2056 10 PHE A CB 33 C CG . PHE A 10 ? 0.6313 0.7165 0.6808 0.1061 -0.0407 -0.2067 10 PHE A CG 34 C CD1 . PHE A 10 ? 0.6559 0.7024 0.6684 0.1192 -0.0422 -0.2080 10 PHE A CD1 35 C CD2 . PHE A 10 ? 0.6104 0.6985 0.6654 0.0960 -0.0278 -0.2054 10 PHE A CD2 36 C CE1 . PHE A 10 ? 0.6718 0.6815 0.6554 0.1182 -0.0320 -0.2081 10 PHE A CE1 37 C CE2 . PHE A 10 ? 0.6194 0.6744 0.6458 0.0976 -0.0182 -0.2076 10 PHE A CE2 38 C CZ . PHE A 10 ? 0.6510 0.6663 0.6430 0.1068 -0.0209 -0.2089 10 PHE A CZ 39 N N . ARG A 11 ? 0.6393 0.6910 0.6739 0.0737 -0.0532 -0.2119 11 ARG A N 40 C CA . ARG A 11 ? 0.6326 0.6732 0.6610 0.0623 -0.0457 -0.2129 11 ARG A CA 41 C C . ARG A 11 ? 0.6373 0.6597 0.6417 0.0621 -0.0314 -0.2113 11 ARG A C 42 O O . ARG A 11 ? 0.6575 0.6609 0.6361 0.0681 -0.0305 -0.2100 11 ARG A O 43 C CB . ARG A 11 ? 0.6432 0.6728 0.6625 0.0605 -0.0580 -0.2186 11 ARG A CB 44 C CG . ARG A 11 ? 0.6727 0.6972 0.6813 0.0702 -0.0745 -0.2229 11 ARG A CG 45 C CD . ARG A 11 ? 0.6982 0.7084 0.6956 0.0693 -0.0896 -0.2314 11 ARG A CD 46 N NE . ARG A 11 ? 0.6982 0.7100 0.7164 0.0554 -0.0940 -0.2319 11 ARG A NE 47 C CZ . ARG A 11 ? 0.7217 0.7322 0.7551 0.0458 -0.1141 -0.2352 11 ARG A CZ 48 N NH1 . ARG A 11 ? 0.7369 0.7503 0.7702 0.0491 -0.1330 -0.2403 11 ARG A NH1 49 N NH2 . ARG A 11 ? 0.7241 0.7283 0.7713 0.0315 -0.1169 -0.2329 11 ARG A NH2 50 N N . CYS A 12 ? 0.6229 0.6519 0.6359 0.0535 -0.0214 -0.2101 12 CYS A N 51 C CA . CYS A 12 ? 0.6271 0.6454 0.6231 0.0479 -0.0105 -0.2091 12 CYS A CA 52 C C . CYS A 12 ? 0.6194 0.6443 0.6149 0.0436 -0.0096 -0.2111 12 CYS A C 53 O O . CYS A 12 ? 0.6056 0.6409 0.6164 0.0403 -0.0105 -0.2121 12 CYS A O 54 C CB . CYS A 12 ? 0.6193 0.6412 0.6213 0.0442 -0.0022 -0.2082 12 CYS A CB 55 S SG . CYS A 12 ? 0.6483 0.6597 0.6438 0.0573 -0.0033 -0.2083 12 CYS A SG 56 N N . LEU A 13 ? 0.6322 0.6509 0.6072 0.0460 -0.0080 -0.2110 13 LEU A N 57 C CA . LEU A 13 ? 0.6298 0.6584 0.5996 0.0483 -0.0063 -0.2139 13 LEU A CA 58 C C . LEU A 13 ? 0.6288 0.6713 0.5946 0.0396 0.0066 -0.2096 13 LEU A C 59 O O . LEU A 13 ? 0.6437 0.6808 0.5961 0.0329 0.0127 -0.2034 13 LEU A O 60 C CB . LEU A 13 ? 0.6499 0.6707 0.5986 0.0601 -0.0130 -0.2172 13 LEU A CB 61 C CG . LEU A 13 ? 0.6560 0.6635 0.6074 0.0667 -0.0299 -0.2224 13 LEU A CG 62 C CD1 . LEU A 13 ? 0.6775 0.6750 0.6012 0.0804 -0.0378 -0.2273 13 LEU A CD1 63 C CD2 . LEU A 13 ? 0.6426 0.6503 0.6150 0.0628 -0.0395 -0.2267 13 LEU A CD2 64 N N . GLN A 14 ? 0.6163 0.6762 0.5936 0.0387 0.0092 -0.2119 14 GLN A N 65 C CA . GLN A 14 ? 0.6126 0.6956 0.5919 0.0300 0.0191 -0.2087 14 GLN A CA 66 C C . GLN A 14 ? 0.6170 0.7246 0.5930 0.0424 0.0210 -0.2119 14 GLN A C 67 O O . GLN A 14 ? 0.6165 0.7173 0.5930 0.0560 0.0130 -0.2184 14 GLN A O 68 C CB . GLN A 14 ? 0.5977 0.6847 0.5924 0.0221 0.0196 -0.2095 14 GLN A CB 69 C CG . GLN A 14 ? 0.5983 0.7114 0.5979 0.0112 0.0261 -0.2076 14 GLN A CG 70 C CD . GLN A 14 ? 0.5945 0.7107 0.6047 0.0078 0.0241 -0.2103 14 GLN A CD 71 O OE1 . GLN A 14 ? 0.6074 0.7136 0.6154 -0.0036 0.0244 -0.2102 14 GLN A OE1 72 N NE2 . GLN A 14 ? 0.5857 0.7110 0.6027 0.0194 0.0210 -0.2128 14 GLN A NE2 73 N N . MET A 15 ? 0.6247 0.7605 0.5960 0.0382 0.0309 -0.2068 15 MET A N 74 C CA . MET A 15 ? 0.6285 0.8005 0.5989 0.0529 0.0351 -0.2095 15 MET A CA 75 C C . MET A 15 ? 0.6195 0.8356 0.6066 0.0390 0.0441 -0.2038 15 MET A C 76 O O . MET A 15 ? 0.6267 0.8541 0.6156 0.0176 0.0515 -0.1941 15 MET A O 77 C CB . MET A 15 ? 0.6523 0.8309 0.6000 0.0692 0.0384 -0.2096 15 MET A CB 78 C CG . MET A 15 ? 0.6673 0.8590 0.6054 0.0544 0.0501 -0.1967 15 MET A CG 79 S SD . MET A 15 ? 0.6877 0.8266 0.6080 0.0465 0.0435 -0.1926 15 MET A SD 80 C CE . MET A 15 ? 0.7061 0.8267 0.6018 0.0768 0.0326 -0.2042 15 MET A CE 81 N N . SER A 16 ? 0.6097 0.8480 0.6077 0.0503 0.0414 -0.2094 16 SER A N 82 C CA . SER A 16 ? 0.6005 0.8880 0.6171 0.0402 0.0468 -0.2058 16 SER A CA 83 C C . SER A 16 ? 0.6076 0.9451 0.6247 0.0648 0.0512 -0.2086 16 SER A C 84 O O . SER A 16 ? 0.6161 0.9389 0.6212 0.0934 0.0441 -0.2178 16 SER A O 85 C CB . SER A 16 ? 0.5862 0.8620 0.6145 0.0347 0.0389 -0.2098 16 SER A CB 86 O OG . SER A 16 ? 0.5900 0.8313 0.6179 0.0131 0.0368 -0.2074 16 SER A OG 87 N N . SER A 17 ? 0.6094 1.0061 0.6394 0.0539 0.0622 -0.2001 17 SER A N 88 C CA . SER A 17 ? 0.6149 1.0750 0.6494 0.0790 0.0685 -0.2017 17 SER A CA 89 C C . SER A 17 ? 0.6021 1.1195 0.6659 0.0686 0.0679 -0.1996 17 SER A C 90 O O . SER A 17 ? 0.5948 1.1289 0.6774 0.0326 0.0698 -0.1908 17 SER A O 91 C CB . SER A 17 ? 0.6313 1.1307 0.6588 0.0782 0.0837 -0.1916 17 SER A CB 92 O OG . SER A 17 ? 0.6458 1.0920 0.6433 0.0886 0.0822 -0.1942 17 SER A OG 93 N N . PHE A 18 ? 0.6048 1.1475 0.6696 0.1010 0.0629 -0.2083 18 PHE A N 94 C CA . PHE A 18 ? 0.5970 1.2045 0.6889 0.0990 0.0609 -0.2075 18 PHE A CA 95 C C . PHE A 18 ? 0.6121 1.2961 0.7081 0.1330 0.0692 -0.2084 18 PHE A C 96 O O . PHE A 18 ? 0.6300 1.2992 0.7045 0.1764 0.0636 -0.2195 18 PHE A O 97 C CB . PHE A 18 ? 0.5911 1.1601 0.6784 0.1107 0.0457 -0.2165 18 PHE A CB 98 C CG . PHE A 18 ? 0.5792 1.0842 0.6632 0.0813 0.0390 -0.2156 18 PHE A CG 99 C CD1 . PHE A 18 ? 0.5796 1.0095 0.6404 0.0888 0.0340 -0.2195 18 PHE A CD1 100 C CD2 . PHE A 18 ? 0.5649 1.0865 0.6679 0.0469 0.0367 -0.2114 18 PHE A CD2 101 C CE1 . PHE A 18 ? 0.5686 0.9495 0.6276 0.0658 0.0297 -0.2183 18 PHE A CE1 102 C CE2 . PHE A 18 ? 0.5602 1.0231 0.6552 0.0259 0.0308 -0.2124 18 PHE A CE2 103 C CZ . PHE A 18 ? 0.5628 0.9591 0.6366 0.0370 0.0287 -0.2154 18 PHE A CZ 104 N N . ALA A 19 ? 0.6112 1.3764 0.7333 0.1135 0.0823 -0.1963 19 ALA A N 105 C CA . ALA A 19 ? 0.6263 1.4792 0.7550 0.1456 0.0942 -0.1947 19 ALA A CA 106 C C . ALA A 19 ? 0.6236 1.5452 0.7761 0.1668 0.0872 -0.2000 19 ALA A C 107 O O . ALA A 19 ? 0.6413 1.6015 0.7835 0.2162 0.0888 -0.2079 19 ALA A O 108 C CB . ALA A 19 ? 0.6295 1.5489 0.7776 0.1144 0.1131 -0.1759 19 ALA A CB 109 N N . ASN A 20 ? 0.6072 1.5426 0.7882 0.1317 0.0780 -0.1964 20 ASN A N 110 C CA . ASN A 20 ? 0.6049 1.6076 0.8109 0.1468 0.0685 -0.2007 20 ASN A CA 111 C C . ASN A 20 ? 0.5884 1.5560 0.8055 0.1133 0.0518 -0.2028 20 ASN A C 112 O O . ASN A 20 ? 0.5843 1.4625 0.7819 0.0912 0.0467 -0.2043 20 ASN A O 113 C CB . ASN A 20 ? 0.6069 1.7418 0.8538 0.1408 0.0813 -0.1892 20 ASN A CB 114 C CG . ASN A 20 ? 0.6136 1.7728 0.8832 0.0821 0.0934 -0.1705 20 ASN A CG 115 O OD1 . ASN A 20 ? 0.6111 1.7258 0.8880 0.0341 0.0841 -0.1667 20 ASN A OD1 116 N ND2 . ASN A 20 ? 0.6412 1.8686 0.9177 0.0873 0.1141 -0.1583 20 ASN A ND2 117 N N . ARG A 21 ? 0.5821 1.6246 0.8296 0.1119 0.0431 -0.2033 21 ARG A N 118 C CA . ARG A 21 ? 0.5720 1.5883 0.8256 0.0890 0.0248 -0.2080 21 ARG A CA 119 C C . ARG A 21 ? 0.5651 1.5482 0.8281 0.0279 0.0229 -0.2010 21 ARG A C 120 O O . ARG A 21 ? 0.5649 1.4843 0.8140 0.0125 0.0096 -0.2073 21 ARG A O 121 C CB . ARG A 21 ? 0.5735 1.6893 0.8591 0.1020 0.0146 -0.2102 21 ARG A CB 122 C CG . ARG A 21 ? 0.5767 1.6547 0.8473 0.1177 -0.0059 -0.2209 21 ARG A CG 123 N N . SER A 22 ? 0.5652 1.5878 0.8472 -0.0045 0.0362 -0.1876 22 SER A N 124 C CA . SER A 22 ? 0.5705 1.5602 0.8587 -0.0633 0.0327 -0.1795 22 SER A CA 125 C C . SER A 22 ? 0.5776 1.5046 0.8426 -0.0798 0.0467 -0.1703 22 SER A C 126 O O . SER A 22 ? 0.5894 1.4419 0.8386 -0.1120 0.0402 -0.1699 22 SER A O 127 C CB . SER A 22 ? 0.5769 1.6667 0.9112 -0.1035 0.0301 -0.1683 22 SER A CB 128 O OG . SER A 22 ? 0.5777 1.7557 0.9339 -0.0968 0.0500 -0.1542 22 SER A OG 129 N N . TRP A 23 ? 0.5752 1.5313 0.8349 -0.0549 0.0648 -0.1639 23 TRP A N 130 C CA . TRP A 23 ? 0.5839 1.4876 0.8200 -0.0679 0.0778 -0.1542 23 TRP A CA 131 C C . TRP A 23 ? 0.5785 1.3770 0.7735 -0.0414 0.0737 -0.1664 23 TRP A C 132 O O . TRP A 23 ? 0.5720 1.3580 0.7525 0.0029 0.0707 -0.1788 23 TRP A O 133 C CB . TRP A 23 ? 0.5918 1.5720 0.8353 -0.0521 0.0989 -0.1418 23 TRP A CB 134 C CG . TRP A 23 ? 0.6096 1.5542 0.8334 -0.0750 0.1128 -0.1266 23 TRP A CG 135 C CD1 . TRP A 23 ? 0.6296 1.6083 0.8700 -0.1238 0.1217 -0.1045 23 TRP A CD1 136 C CD2 . TRP A 23 ? 0.6142 1.4822 0.7963 -0.0503 0.1178 -0.1313 23 TRP A CD2 137 N NE1 . TRP A 23 ? 0.6465 1.5717 0.8549 -0.1283 0.1328 -0.0945 23 TRP A NE1 138 C CE2 . TRP A 23 ? 0.6370 1.4965 0.8104 -0.0829 0.1301 -0.1116 23 TRP A CE2 139 C CE3 . TRP A 23 ? 0.6050 1.4096 0.7560 -0.0061 0.1113 -0.1493 23 TRP A CE3 140 C CZ2 . TRP A 23 ? 0.6505 1.4438 0.7847 -0.0688 0.1359 -0.1109 23 TRP A CZ2 141 C CZ3 . TRP A 23 ? 0.6185 1.3597 0.7342 0.0043 0.1161 -0.1491 23 TRP A CZ3 142 C CH2 . TRP A 23 ? 0.6393 1.3770 0.7467 -0.0250 0.1282 -0.1308 23 TRP A CH2 143 N N . SER A 24 ? 0.5851 1.3087 0.7612 -0.0696 0.0726 -0.1621 24 SER A N 144 C CA . SER A 24 ? 0.5786 1.2087 0.7207 -0.0513 0.0685 -0.1714 24 SER A CA 145 C C . SER A 24 ? 0.5946 1.1666 0.7185 -0.0806 0.0719 -0.1618 24 SER A C 146 O O . SER A 24 ? 0.6114 1.1899 0.7451 -0.1214 0.0709 -0.1509 24 SER A O 147 C CB . SER A 24 ? 0.5678 1.1528 0.7057 -0.0461 0.0523 -0.1848 24 SER A CB 148 N N . ARG A 25 ? 0.5947 1.1080 0.6906 -0.0599 0.0740 -0.1657 25 ARG A N 149 C CA . ARG A 25 ? 0.6118 1.0571 0.6856 -0.0801 0.0733 -0.1597 25 ARG A CA 150 C C . ARG A 25 ? 0.6051 0.9817 0.6555 -0.0547 0.0669 -0.1711 25 ARG A C 151 O O . ARG A 25 ? 0.5972 0.9778 0.6408 -0.0219 0.0677 -0.1788 25 ARG A O 152 C CB . ARG A 25 ? 0.6358 1.1021 0.7017 -0.0941 0.0875 -0.1420 25 ARG A CB 153 C CG . ARG A 25 ? 0.6330 1.1122 0.6813 -0.0586 0.0979 -0.1428 25 ARG A CG 154 C CD . ARG A 25 ? 0.6539 1.1434 0.6877 -0.0753 0.1118 -0.1231 25 ARG A CD 155 N NE . ARG A 25 ? 0.6678 1.0784 0.6775 -0.0954 0.1057 -0.1177 25 ARG A NE 156 C CZ . ARG A 25 ? 0.7009 1.1010 0.6970 -0.1240 0.1131 -0.0974 25 ARG A CZ 157 N NH1 . ARG A 25 ? 0.7187 1.1880 0.7263 -0.1406 0.1287 -0.0784 25 ARG A NH1 158 N NH2 . ARG A 25 ? 0.7213 1.0426 0.6913 -0.1354 0.1048 -0.0948 25 ARG A NH2 159 N N . THR A 26 ? 0.6142 0.9290 0.6520 -0.0700 0.0594 -0.1723 26 THR A N 160 C CA . THR A 26 ? 0.6099 0.8667 0.6304 -0.0506 0.0533 -0.1808 26 THR A CA 161 C C . THR A 26 ? 0.6366 0.8478 0.6345 -0.0599 0.0548 -0.1730 26 THR A C 162 O O . THR A 26 ? 0.6606 0.8478 0.6516 -0.0857 0.0528 -0.1661 26 THR A O 163 C CB . THR A 26 ? 0.5992 0.8275 0.6236 -0.0511 0.0427 -0.1908 26 THR A CB 164 O OG1 . THR A 26 ? 0.5772 0.8383 0.6157 -0.0339 0.0403 -0.1979 26 THR A OG1 165 C CG2 . THR A 26 ? 0.5984 0.7723 0.6079 -0.0384 0.0379 -0.1957 26 THR A CG2 166 N N . ASP A 27 ? 0.6387 0.8347 0.6220 -0.0380 0.0562 -0.1747 27 ASP A N 167 C CA . ASP A 27 ? 0.6648 0.8177 0.6240 -0.0400 0.0558 -0.1683 27 ASP A CA 168 C C . ASP A 27 ? 0.6566 0.7698 0.6093 -0.0195 0.0459 -0.1788 27 ASP A C 169 O O . ASP A 27 ? 0.6378 0.7610 0.5982 0.0000 0.0420 -0.1882 27 ASP A O 170 C CB . ASP A 27 ? 0.6825 0.8600 0.6273 -0.0335 0.0660 -0.1585 27 ASP A CB 171 C CG . ASP A 27 ? 0.7016 0.9204 0.6528 -0.0598 0.0777 -0.1424 27 ASP A CG 172 O OD1 . ASP A 27 ? 0.7217 0.9153 0.6690 -0.0894 0.0759 -0.1326 27 ASP A OD1 173 O OD2 . ASP A 27 ? 0.7006 0.9774 0.6594 -0.0506 0.0882 -0.1390 27 ASP A OD2 174 N N . SER A 28 ? 0.6761 0.7445 0.6141 -0.0242 0.0408 -0.1765 28 SER A N 175 C CA . SER A 28 ? 0.6695 0.7093 0.6059 -0.0068 0.0315 -0.1849 28 SER A CA 176 C C . SER A 28 ? 0.6966 0.7013 0.6086 -0.0013 0.0279 -0.1795 28 SER A C 177 O O . SER A 28 ? 0.7286 0.7098 0.6218 -0.0149 0.0302 -0.1697 28 SER A O 178 C CB . SER A 28 ? 0.6605 0.6870 0.6084 -0.0104 0.0267 -0.1913 28 SER A CB 179 O OG . SER A 28 ? 0.6486 0.7051 0.6147 -0.0162 0.0291 -0.1950 28 SER A OG 180 N N . VAL A 29 ? 0.6884 0.6876 0.5995 0.0178 0.0203 -0.1855 29 VAL A N 181 C CA . VAL A 29 ? 0.7129 0.6818 0.6034 0.0279 0.0135 -0.1827 29 VAL A CA 182 C C . VAL A 29 ? 0.6973 0.6603 0.6030 0.0413 0.0024 -0.1916 29 VAL A C 183 O O . VAL A 29 ? 0.6705 0.6537 0.6002 0.0435 -0.0001 -0.1989 29 VAL A O 184 C CB . VAL A 29 ? 0.7312 0.7049 0.6009 0.0390 0.0132 -0.1795 29 VAL A CB 185 C CG1 . VAL A 29 ? 0.7592 0.7393 0.6094 0.0253 0.0262 -0.1654 29 VAL A CG1 186 C CG2 . VAL A 29 ? 0.7097 0.7083 0.5921 0.0518 0.0086 -0.1907 29 VAL A CG2 187 N N . VAL A 30 ? 0.7174 0.6546 0.6089 0.0505 -0.0040 -0.1895 30 VAL A N 188 C CA . VAL A 30 ? 0.7032 0.6447 0.6121 0.0638 -0.0134 -0.1961 30 VAL A CA 189 C C . VAL A 30 ? 0.7216 0.6561 0.6187 0.0806 -0.0252 -0.1962 30 VAL A C 190 O O . VAL A 30 ? 0.7561 0.6620 0.6234 0.0872 -0.0268 -0.1897 30 VAL A O 191 C CB . VAL A 30 ? 0.7124 0.6369 0.6197 0.0649 -0.0115 -0.1965 30 VAL A CB 192 C CG1 . VAL A 30 ? 0.7029 0.6432 0.6294 0.0819 -0.0189 -0.2017 30 VAL A CG1 193 C CG2 . VAL A 30 ? 0.6925 0.6271 0.6121 0.0493 -0.0028 -0.1985 30 VAL A CG2 194 N N . TRP A 31 ? 0.7028 0.6614 0.6220 0.0864 -0.0353 -0.2030 31 TRP A N 195 C CA . TRP A 31 ? 0.7206 0.6798 0.6335 0.1012 -0.0505 -0.2053 31 TRP A CA 196 C C . TRP A 31 ? 0.7091 0.6924 0.6525 0.1091 -0.0607 -0.2090 31 TRP A C 197 O O . TRP A 31 ? 0.6817 0.6907 0.6580 0.0996 -0.0602 -0.2116 31 TRP A O 198 C CB . TRP A 31 ? 0.7199 0.6874 0.6305 0.1004 -0.0584 -0.2113 31 TRP A CB 199 C CG . TRP A 31 ? 0.7324 0.6889 0.6142 0.0976 -0.0481 -0.2080 31 TRP A CG 200 C CD1 . TRP A 31 ? 0.7157 0.6817 0.6029 0.0865 -0.0355 -0.2076 31 TRP A CD1 201 C CD2 . TRP A 31 ? 0.7679 0.7093 0.6114 0.1078 -0.0489 -0.2035 31 TRP A CD2 202 N NE1 . TRP A 31 ? 0.7394 0.7029 0.5976 0.0889 -0.0273 -0.2029 31 TRP A NE1 203 C CE2 . TRP A 31 ? 0.7700 0.7175 0.5996 0.1013 -0.0344 -0.1996 31 TRP A CE2 204 C CE3 . TRP A 31 ? 0.7996 0.7262 0.6181 0.1234 -0.0605 -0.2016 31 TRP A CE3 205 C CZ2 . TRP A 31 ? 0.8028 0.7446 0.5947 0.1085 -0.0288 -0.1924 31 TRP A CZ2 206 C CZ3 . TRP A 31 ? 0.8334 0.7473 0.6106 0.1309 -0.0562 -0.1948 31 TRP A CZ3 207 C CH2 . TRP A 31 ? 0.8343 0.7570 0.5987 0.1228 -0.0394 -0.1896 31 TRP A CH2 208 N N . LEU A 32 ? 0.7343 0.7121 0.6665 0.1269 -0.0697 -0.2076 32 LEU A N 209 C CA . LEU A 32 ? 0.7266 0.7398 0.6899 0.1373 -0.0823 -0.2108 32 LEU A CA 210 C C . LEU A 32 ? 0.7450 0.7650 0.7034 0.1451 -0.1021 -0.2148 32 LEU A C 211 O O . LEU A 32 ? 0.7791 0.7736 0.7017 0.1603 -0.1075 -0.2126 32 LEU A O 212 C CB . LEU A 32 ? 0.7448 0.7539 0.7011 0.1579 -0.0800 -0.2081 32 LEU A CB 213 C CG . LEU A 32 ? 0.7415 0.7966 0.7285 0.1751 -0.0927 -0.2102 32 LEU A CG 214 C CD1 . LEU A 32 ? 0.7015 0.8093 0.7395 0.1603 -0.0892 -0.2106 32 LEU A CD1 215 C CD2 . LEU A 32 ? 0.7721 0.8130 0.7380 0.2044 -0.0918 -0.2089 32 LEU A CD2 216 N N . GLY A 33 ? 0.7288 0.7803 0.7207 0.1338 -0.1145 -0.2201 33 GLY A N 217 C CA . GLY A 33 ? 0.7489 0.8045 0.7358 0.1373 -0.1372 -0.2268 33 GLY A CA 218 C C . GLY A 33 ? 0.7684 0.7861 0.7139 0.1365 -0.1349 -0.2299 33 GLY A C 219 O O . GLY A 33 ? 0.7567 0.7685 0.7059 0.1223 -0.1315 -0.2339 33 GLY A O 220 N N . ASP A 34 ? 0.8021 0.7953 0.7059 0.1541 -0.1361 -0.2270 34 ASP A N 221 C CA . ASP A 34 ? 0.8225 0.7847 0.6828 0.1555 -0.1268 -0.2254 34 ASP A CA 222 C C . ASP A 34 ? 0.8500 0.7833 0.6705 0.1668 -0.1143 -0.2126 34 ASP A C 223 O O . ASP A 34 ? 0.8861 0.7995 0.6645 0.1779 -0.1164 -0.2091 34 ASP A O 224 C CB . ASP A 34 ? 0.8475 0.8058 0.6880 0.1622 -0.1461 -0.2365 34 ASP A CB 225 C CG . ASP A 34 ? 0.8792 0.8437 0.7114 0.1795 -0.1701 -0.2403 34 ASP A CG 226 O OD1 . ASP A 34 ? 0.8932 0.8582 0.7212 0.1923 -0.1688 -0.2319 34 ASP A OD1 227 O OD2 . ASP A 34 ? 0.8983 0.8651 0.7255 0.1819 -0.1924 -0.2527 34 ASP A OD2 228 N N . LEU A 35 ? 0.8387 0.7666 0.6696 0.1637 -0.1023 -0.2054 35 LEU A N 229 C CA . LEU A 35 ? 0.8706 0.7606 0.6635 0.1675 -0.0899 -0.1923 35 LEU A CA 230 C C . LEU A 35 ? 0.8490 0.7330 0.6533 0.1471 -0.0704 -0.1882 35 LEU A C 231 O O . LEU A 35 ? 0.8174 0.7207 0.6564 0.1416 -0.0682 -0.1936 35 LEU A O 232 C CB . LEU A 35 ? 0.8959 0.7733 0.6800 0.1892 -0.0996 -0.1892 35 LEU A CB 233 C CG . LEU A 35 ? 0.9173 0.8047 0.6919 0.2133 -0.1218 -0.1930 35 LEU A CG 234 C CD1 . LEU A 35 ? 0.9347 0.8210 0.7118 0.2367 -0.1298 -0.1916 35 LEU A CD1 235 C CD2 . LEU A 35 ? 0.9598 0.8154 0.6809 0.2217 -0.1241 -0.1851 35 LEU A CD2 236 N N . GLN A 36 ? 0.8695 0.7314 0.6449 0.1353 -0.0564 -0.1780 36 GLN A N 237 C CA . GLN A 36 ? 0.8556 0.7142 0.6408 0.1139 -0.0401 -0.1739 36 GLN A CA 238 C C . GLN A 36 ? 0.8831 0.7059 0.6552 0.1154 -0.0391 -0.1684 36 GLN A C 239 O O . GLN A 36 ? 0.9352 0.7173 0.6679 0.1220 -0.0413 -0.1576 36 GLN A O 240 C CB . GLN A 36 ? 0.8701 0.7264 0.6325 0.0992 -0.0262 -0.1635 36 GLN A CB 241 C CG . GLN A 36 ? 0.8472 0.7198 0.6311 0.0762 -0.0119 -0.1628 36 GLN A CG 242 C CD . GLN A 36 ? 0.8744 0.7539 0.6388 0.0609 0.0029 -0.1497 36 GLN A CD 243 O OE1 . GLN A 36 ? 0.8975 0.7846 0.6389 0.0702 0.0044 -0.1452 36 GLN A OE1 244 N NE2 . GLN A 36 ? 0.8754 0.7570 0.6492 0.0375 0.0138 -0.1434 36 GLN A NE2 245 N N . THR A 37 ? 0.8565 0.6904 0.6570 0.1113 -0.0369 -0.1759 37 THR A N 246 C CA . THR A 37 ? 0.8875 0.6854 0.6728 0.1171 -0.0376 -0.1746 37 THR A CA 247 C C . THR A 37 ? 0.8970 0.6715 0.6733 0.0921 -0.0266 -0.1701 37 THR A C 248 O O . THR A 37 ? 0.9496 0.6721 0.6914 0.0898 -0.0282 -0.1633 37 THR A O 249 C CB . THR A 37 ? 0.8633 0.6879 0.6792 0.1350 -0.0434 -0.1861 37 THR A CB 250 O OG1 . THR A 37 ? 0.8158 0.6837 0.6722 0.1206 -0.0367 -0.1927 37 THR A OG1 251 C CG2 . THR A 37 ? 0.8649 0.7113 0.6882 0.1596 -0.0573 -0.1891 37 THR A CG2 252 N N . HIS A 38 ? 0.8540 0.6643 0.6595 0.0734 -0.0177 -0.1737 38 HIS A N 253 C CA . HIS A 38 ? 0.8593 0.6582 0.6622 0.0484 -0.0092 -0.1705 38 HIS A CA 254 C C . HIS A 38 ? 0.8420 0.6712 0.6538 0.0271 0.0012 -0.1639 38 HIS A C 255 O O . HIS A 38 ? 0.8035 0.6736 0.6378 0.0323 0.0031 -0.1691 38 HIS A O 256 C CB . HIS A 38 ? 0.8289 0.6450 0.6581 0.0487 -0.0085 -0.1825 38 HIS A CB 257 C CG . HIS A 38 ? 0.8423 0.6422 0.6667 0.0735 -0.0163 -0.1901 38 HIS A CG 258 N ND1 . HIS A 38 ? 0.8134 0.6481 0.6619 0.0947 -0.0206 -0.1959 38 HIS A ND1 259 C CD2 . HIS A 38 ? 0.8848 0.6402 0.6828 0.0817 -0.0210 -0.1934 38 HIS A CD2 260 C CE1 . HIS A 38 ? 0.8403 0.6613 0.6805 0.1167 -0.0255 -0.2013 38 HIS A CE1 261 N NE2 . HIS A 38 ? 0.8833 0.6525 0.6897 0.1119 -0.0261 -0.2011 38 HIS A NE2 262 N N . ARG A 39 ? 0.8764 0.6848 0.6690 0.0036 0.0071 -0.1521 39 ARG A N 263 C CA . ARG A 39 ? 0.8604 0.7074 0.6672 -0.0187 0.0186 -0.1457 39 ARG A CA 264 C C . ARG A 39 ? 0.8619 0.7068 0.6801 -0.0422 0.0197 -0.1479 39 ARG A C 265 O O . ARG A 39 ? 0.8994 0.6953 0.6976 -0.0484 0.0122 -0.1480 39 ARG A O 266 C CB . ARG A 39 ? 0.8998 0.7398 0.6789 -0.0307 0.0260 -0.1265 39 ARG A CB 267 C CG . ARG A 39 ? 0.9656 0.7474 0.7099 -0.0514 0.0235 -0.1111 39 ARG A CG 268 C CD . ARG A 39 ? 1.0002 0.7947 0.7292 -0.0771 0.0359 -0.0881 39 ARG A CD 269 N NE . ARG A 39 ? 1.0077 0.8236 0.7223 -0.0577 0.0420 -0.0815 39 ARG A NE 270 C CZ . ARG A 39 ? 1.0570 0.8307 0.7305 -0.0467 0.0384 -0.0693 39 ARG A CZ 271 N NH1 . ARG A 39 ? 1.1129 0.8160 0.7542 -0.0524 0.0286 -0.0615 39 ARG A NH1 272 N NH2 . ARG A 39 ? 1.0548 0.8531 0.7147 -0.0274 0.0431 -0.0656 39 ARG A NH2 273 N N . TRP A 40 ? 0.8252 0.7215 0.6728 -0.0525 0.0269 -0.1511 40 TRP A N 274 C CA . TRP A 40 ? 0.8268 0.7314 0.6870 -0.0766 0.0271 -0.1525 40 TRP A CA 275 C C . TRP A 40 ? 0.8045 0.7711 0.6878 -0.0903 0.0379 -0.1466 40 TRP A C 276 O O . TRP A 40 ? 0.7624 0.7723 0.6703 -0.0762 0.0407 -0.1560 40 TRP A O 277 C CB . TRP A 40 ? 0.8006 0.7045 0.6767 -0.0641 0.0203 -0.1695 40 TRP A CB 278 C CG . TRP A 40 ? 0.8164 0.7153 0.6959 -0.0863 0.0161 -0.1733 40 TRP A CG 279 C CD1 . TRP A 40 ? 0.8628 0.7353 0.7259 -0.1166 0.0126 -0.1642 40 TRP A CD1 280 C CD2 . TRP A 40 ? 0.7919 0.7097 0.6896 -0.0810 0.0128 -0.1868 40 TRP A CD2 281 N NE1 . TRP A 40 ? 0.8664 0.7410 0.7374 -0.1305 0.0054 -0.1736 40 TRP A NE1 282 C CE2 . TRP A 40 ? 0.8232 0.7261 0.7139 -0.1070 0.0061 -0.1876 40 TRP A CE2 283 C CE3 . TRP A 40 ? 0.7480 0.6926 0.6655 -0.0584 0.0141 -0.1969 40 TRP A CE3 284 C CZ2 . TRP A 40 ? 0.8105 0.7262 0.7115 -0.1074 0.0005 -0.2000 40 TRP A CZ2 285 C CZ3 . TRP A 40 ? 0.7400 0.6968 0.6671 -0.0594 0.0108 -0.2065 40 TRP A CZ3 286 C CH2 . TRP A 40 ? 0.7695 0.7126 0.6873 -0.0819 0.0039 -0.2089 40 TRP A CH2 287 N N . SER A 41 ? 0.8391 0.8100 0.7128 -0.1172 0.0440 -0.1296 41 SER A N 288 C CA . SER A 41 ? 0.8243 0.8631 0.7200 -0.1304 0.0561 -0.1212 41 SER A CA 289 C C . SER A 41 ? 0.8152 0.8807 0.7361 -0.1544 0.0524 -0.1252 41 SER A C 290 O O . SER A 41 ? 0.8437 0.8640 0.7542 -0.1730 0.0413 -0.1275 41 SER A O 291 C CB . SER A 41 ? 0.8673 0.9086 0.7433 -0.1501 0.0662 -0.0977 41 SER A CB 292 O OG . SER A 41 ? 0.8559 0.9752 0.7544 -0.1563 0.0804 -0.0893 41 SER A OG 293 N N . ASN A 42 ? 0.7815 0.9191 0.7322 -0.1514 0.0601 -0.1270 42 ASN A N 294 C CA . ASN A 42 ? 0.7706 0.9470 0.7485 -0.1722 0.0561 -0.1305 42 ASN A CA 295 C C . ASN A 42 ? 0.8162 0.9827 0.7904 -0.2180 0.0530 -0.1149 42 ASN A C 296 O O . ASN A 42 ? 0.8253 0.9889 0.8100 -0.2399 0.0414 -0.1208 42 ASN A O 297 C CB . ASN A 42 ? 0.7344 0.9959 0.7420 -0.1583 0.0661 -0.1318 42 ASN A CB 298 C CG . ASN A 42 ? 0.7218 1.0243 0.7580 -0.1700 0.0588 -0.1396 42 ASN A CG 299 O OD1 . ASN A 42 ? 0.7066 0.9887 0.7448 -0.1548 0.0488 -0.1556 42 ASN A OD1 300 N ND2 . ASN A 42 ? 0.7393 1.1043 0.7982 -0.1975 0.0638 -0.1271 42 ASN A ND2 301 N N . ASP A 43 ? 0.8513 1.0094 0.8078 -0.2330 0.0621 -0.0945 43 ASP A N 302 C CA . ASP A 43 ? 0.9072 1.0507 0.8565 -0.2810 0.0599 -0.0744 43 ASP A CA 303 C C . ASP A 43 ? 0.9557 1.0006 0.8728 -0.2970 0.0404 -0.0799 43 ASP A C 304 O O . ASP A 43 ? 1.0055 1.0281 0.9175 -0.3402 0.0312 -0.0691 43 ASP A O 305 C CB . ASP A 43 ? 0.9376 1.0939 0.8702 -0.2888 0.0764 -0.0488 43 ASP A CB 306 C CG . ASP A 43 ? 0.9011 1.1513 0.8574 -0.2646 0.0959 -0.0458 43 ASP A CG 307 O OD1 . ASP A 43 ? 0.8791 1.2090 0.8737 -0.2720 0.1002 -0.0474 43 ASP A OD1 308 O OD2 . ASP A 43 ? 0.8999 1.1438 0.8341 -0.2357 0.1054 -0.0430 43 ASP A OD2 309 N N . SER A 44 ? 0.9449 0.9322 0.8397 -0.2619 0.0331 -0.0968 44 SER A N 310 C CA . SER A 44 ? 0.9917 0.8863 0.8517 -0.2651 0.0149 -0.1056 44 SER A CA 311 C C . SER A 44 ? 0.9592 0.8486 0.8288 -0.2421 0.0042 -0.1319 44 SER A C 312 O O . SER A 44 ? 0.9008 0.8397 0.7954 -0.2134 0.0115 -0.1428 44 SER A O 313 C CB . SER A 44 ? 1.0206 0.8507 0.8409 -0.2415 0.0153 -0.1006 44 SER A CB 314 O OG . SER A 44 ? 1.0721 0.8121 0.8549 -0.2393 -0.0022 -0.1093 44 SER A OG 315 N N . ALA A 45 ? 1.0043 0.8302 0.8500 -0.2542 -0.0135 -0.1415 45 ALA A N 316 C CA . ALA A 45 ? 0.9822 0.7982 0.8291 -0.2306 -0.0234 -0.1657 45 ALA A CA 317 C C . ALA A 45 ? 1.0089 0.7498 0.8171 -0.1982 -0.0306 -0.1765 45 ALA A C 318 O O . ALA A 45 ? 1.0254 0.7325 0.8177 -0.1848 -0.0426 -0.1944 45 ALA A O 319 C CB . ALA A 45 ? 1.0149 0.8253 0.8637 -0.2625 -0.0395 -0.1732 45 ALA A CB 320 N N . THR A 46 ? 1.0139 0.7341 0.8066 -0.1829 -0.0234 -0.1657 46 THR A N 321 C CA . THR A 46 ? 1.0388 0.6975 0.7976 -0.1489 -0.0295 -0.1737 46 THR A CA 322 C C . THR A 46 ? 0.9926 0.6832 0.7636 -0.1195 -0.0170 -0.1686 46 THR A C 323 O O . THR A 46 ? 0.9886 0.7013 0.7642 -0.1308 -0.0075 -0.1521 46 THR A O 324 C CB . THR A 46 ? 1.1309 0.6981 0.8387 -0.1647 -0.0425 -0.1644 46 THR A CB 325 O OG1 . THR A 46 ? 1.1806 0.7179 0.8779 -0.2016 -0.0564 -0.1666 46 THR A OG1 326 C CG2 . THR A 46 ? 1.1682 0.6703 0.8378 -0.1241 -0.0521 -0.1770 46 THR A CG2 327 N N . ILE A 47 ? 0.9603 0.6562 0.7361 -0.0827 -0.0173 -0.1826 47 ILE A N 328 C CA . ILE A 47 ? 0.9275 0.6434 0.7106 -0.0550 -0.0108 -0.1797 47 ILE A CA 329 C C . ILE A 47 ? 0.9884 0.6410 0.7295 -0.0486 -0.0171 -0.1695 47 ILE A C 330 O O . ILE A 47 ? 1.0453 0.6335 0.7511 -0.0406 -0.0288 -0.1748 47 ILE A O 331 C CB . ILE A 47 ? 0.8889 0.6272 0.6889 -0.0210 -0.0111 -0.1949 47 ILE A CB 332 C CG1 . ILE A 47 ? 0.8465 0.6299 0.6765 -0.0270 -0.0075 -0.2046 47 ILE A CG1 333 C CG2 . ILE A 47 ? 0.8488 0.6216 0.6665 -0.0007 -0.0058 -0.1915 47 ILE A CG2 334 N N . SER A 48 ? 0.9824 0.6507 0.7229 -0.0498 -0.0101 -0.1554 48 SER A N 335 C CA . SER A 48 ? 1.0427 0.6537 0.7408 -0.0443 -0.0152 -0.1423 48 SER A CA 336 C C . SER A 48 ? 1.0273 0.6445 0.7236 -0.0045 -0.0181 -0.1476 48 SER A C 337 O O . SER A 48 ? 0.9689 0.6451 0.6980 0.0072 -0.0119 -0.1522 48 SER A O 338 C CB . SER A 48 ? 1.0593 0.6824 0.7509 -0.0729 -0.0056 -0.1200 48 SER A CB 339 O OG . SER A 48 ? 1.0515 0.7021 0.7628 -0.1104 -0.0001 -0.1151 48 SER A OG 340 N N . PHE A 49 ? 1.0837 0.6384 0.7405 0.0163 -0.0295 -0.1473 49 PHE A N 341 C CA . PHE A 49 ? 1.0815 0.6402 0.7319 0.0525 -0.0344 -0.1489 49 PHE A CA 342 C C . PHE A 49 ? 1.0978 0.6551 0.7299 0.0448 -0.0302 -0.1302 49 PHE A C 343 O O . PHE A 49 ? 1.1478 0.6651 0.7494 0.0187 -0.0279 -0.1128 49 PHE A O 344 C CB . PHE A 49 ? 1.1495 0.6407 0.7584 0.0817 -0.0487 -0.1539 49 PHE A CB 345 C CG . PHE A 49 ? 1.1635 0.6350 0.7714 0.0875 -0.0537 -0.1703 49 PHE A CG 346 C CD1 . PHE A 49 ? 1.2489 0.6371 0.8094 0.0765 -0.0639 -0.1690 49 PHE A CD1 347 C CD2 . PHE A 49 ? 1.1041 0.6363 0.7538 0.1041 -0.0492 -0.1865 49 PHE A CD2 348 C CE1 . PHE A 49 ? 1.2703 0.6356 0.8228 0.0852 -0.0706 -0.1866 49 PHE A CE1 349 C CE2 . PHE A 49 ? 1.1228 0.6388 0.7666 0.1128 -0.0528 -0.2014 49 PHE A CE2 350 C CZ . PHE A 49 ? 1.2082 0.6404 0.8021 0.1052 -0.0640 -0.2030 49 PHE A CZ 351 N N . THR A 50 ? 1.0587 0.6604 0.7084 0.0661 -0.0298 -0.1332 50 THR A N 352 C CA . THR A 50 ? 1.0796 0.6789 0.7053 0.0680 -0.0280 -0.1180 50 THR A CA 353 C C . THR A 50 ? 1.1104 0.6857 0.7116 0.1058 -0.0422 -0.1198 50 THR A C 354 O O . THR A 50 ? 1.1366 0.7064 0.7125 0.1147 -0.0442 -0.1088 50 THR A O 355 C CB . THR A 50 ? 1.0206 0.6893 0.6793 0.0615 -0.0181 -0.1201 50 THR A CB 356 O OG1 . THR A 50 ? 0.9605 0.6744 0.6586 0.0814 -0.0237 -0.1388 50 THR A OG1 357 C CG2 . THR A 50 ? 0.9993 0.6943 0.6777 0.0271 -0.0040 -0.1154 50 THR A CG2 358 N N . LYS A 51 ? 1.1079 0.6738 0.7162 0.1301 -0.0520 -0.1339 51 LYS A N 359 C CA . LYS A 51 ? 1.1424 0.6859 0.7276 0.1692 -0.0669 -0.1363 51 LYS A CA 360 C C . LYS A 51 ? 1.1958 0.6781 0.7515 0.1844 -0.0750 -0.1412 51 LYS A C 361 O O . LYS A 51 ? 1.1780 0.6614 0.7500 0.1718 -0.0704 -0.1507 51 LYS A O 362 C CB . LYS A 51 ? 1.0801 0.6959 0.7125 0.1922 -0.0720 -0.1514 51 LYS A CB 363 N N . PRO A 52 ? 1.2673 0.6922 0.7745 0.2141 -0.0885 -0.1355 52 PRO A N 364 C CA . PRO A 52 ? 1.3298 0.6901 0.8015 0.2372 -0.0991 -0.1426 52 PRO A CA 365 C C . PRO A 52 ? 1.2863 0.6987 0.7968 0.2678 -0.1009 -0.1646 52 PRO A C 366 O O . PRO A 52 ? 1.3357 0.7028 0.8186 0.2918 -0.1085 -0.1741 52 PRO A O 367 C CB . PRO A 52 ? 1.4107 0.7121 0.8260 0.2695 -0.1139 -0.1314 52 PRO A CB 368 C CG . PRO A 52 ? 1.4072 0.7171 0.8140 0.2459 -0.1077 -0.1120 52 PRO A CG 369 C CD . PRO A 52 ? 1.3067 0.7142 0.7805 0.2277 -0.0952 -0.1209 52 PRO A CD 370 N N . TRP A 53 ? 1.2002 0.7053 0.7715 0.2668 -0.0941 -0.1720 53 TRP A N 371 C CA . TRP A 53 ? 1.1545 0.7221 0.7688 0.2910 -0.0933 -0.1887 53 TRP A CA 372 C C . TRP A 53 ? 1.0771 0.7067 0.7458 0.2605 -0.0789 -0.1950 53 TRP A C 373 O O . TRP A 53 ? 1.0297 0.7251 0.7420 0.2737 -0.0760 -0.2047 53 TRP A O 374 C CB . TRP A 53 ? 1.1358 0.7603 0.7735 0.3249 -0.1030 -0.1912 53 TRP A CB 375 C CG . TRP A 53 ? 1.1039 0.7567 0.7544 0.3085 -0.1049 -0.1822 53 TRP A CG 376 C CD1 . TRP A 53 ? 1.1505 0.7612 0.7580 0.3164 -0.1142 -0.1703 53 TRP A CD1 377 C CD2 . TRP A 53 ? 1.0240 0.7483 0.7282 0.2840 -0.0987 -0.1849 53 TRP A CD2 378 N NE1 . TRP A 53 ? 1.1079 0.7629 0.7387 0.3000 -0.1137 -0.1671 53 TRP A NE1 379 C CE2 . TRP A 53 ? 1.0308 0.7523 0.7200 0.2801 -0.1053 -0.1767 53 TRP A CE2 380 C CE3 . TRP A 53 ? 0.9544 0.7396 0.7130 0.2662 -0.0891 -0.1932 53 TRP A CE3 381 C CZ2 . TRP A 53 ? 0.9774 0.7517 0.7025 0.2606 -0.1042 -0.1791 53 TRP A CZ2 382 C CZ3 . TRP A 53 ? 0.9029 0.7374 0.6978 0.2448 -0.0882 -0.1935 53 TRP A CZ3 383 C CH2 . TRP A 53 ? 0.9136 0.7407 0.6908 0.2430 -0.0964 -0.1878 53 TRP A CH2 384 N N . SER A 54 ? 1.0702 0.6802 0.7352 0.2202 -0.0700 -0.1881 54 SER A N 385 C CA . SER A 54 ? 1.0033 0.6687 0.7156 0.1919 -0.0575 -0.1926 54 SER A CA 386 C C . SER A 54 ? 0.9960 0.6694 0.7201 0.1964 -0.0531 -0.2051 54 SER A C 387 O O . SER A 54 ? 0.9388 0.6657 0.7042 0.1817 -0.0439 -0.2095 54 SER A O 388 C CB . SER A 54 ? 0.9990 0.6483 0.7041 0.1518 -0.0494 -0.1817 54 SER A CB 389 O OG . SER A 54 ? 0.9882 0.6547 0.6941 0.1481 -0.0498 -0.1722 54 SER A OG 390 N N . GLN A 55 ? 1.0627 0.6794 0.7456 0.2190 -0.0606 -0.2107 55 GLN A N 391 C CA . GLN A 55 ? 1.0703 0.6904 0.7547 0.2321 -0.0581 -0.2247 55 GLN A CA 392 C C . GLN A 55 ? 1.0350 0.7283 0.7564 0.2668 -0.0553 -0.2325 55 GLN A C 393 O O . GLN A 55 ? 1.0288 0.7455 0.7595 0.2799 -0.0498 -0.2427 55 GLN A O 394 C CB . GLN A 55 ? 1.1635 0.6893 0.7835 0.2474 -0.0697 -0.2301 55 GLN A CB 395 C CG . GLN A 55 ? 1.1839 0.6931 0.7933 0.2464 -0.0684 -0.2445 55 GLN A CG 396 C CD . GLN A 55 ? 1.3006 0.7028 0.8393 0.2578 -0.0840 -0.2513 55 GLN A CD 397 O OE1 . GLN A 55 ? 1.3309 0.6948 0.8504 0.2377 -0.0872 -0.2590 55 GLN A OE1 398 N NE2 . GLN A 55 ? 1.3690 0.7190 0.8659 0.2907 -0.0960 -0.2491 55 GLN A NE2 399 N N . GLY A 56 ? 1.0153 0.7480 0.7577 0.2806 -0.0595 -0.2268 56 GLY A N 400 C CA . GLY A 56 ? 0.9840 0.7941 0.7664 0.3099 -0.0586 -0.2312 56 GLY A CA 401 C C . GLY A 56 ? 1.0402 0.8331 0.7930 0.3578 -0.0635 -0.2412 56 GLY A C 402 O O . GLY A 56 ? 1.1130 0.8325 0.8115 0.3800 -0.0752 -0.2422 56 GLY A O 403 N N . LYS A 57 ? 1.0117 0.8716 0.7975 0.3751 -0.0543 -0.2477 57 LYS A N 404 C CA . LYS A 57 ? 1.0627 0.9156 0.8207 0.4246 -0.0558 -0.2593 57 LYS A CA 405 C C . LYS A 57 ? 1.0743 0.9029 0.8129 0.4195 -0.0467 -0.2695 57 LYS A C 406 O O . LYS A 57 ? 1.0764 0.9514 0.8237 0.4496 -0.0385 -0.2774 57 LYS A O 407 C CB . LYS A 57 ? 1.0311 0.9888 0.8388 0.4559 -0.0519 -0.2583 57 LYS A CB 408 N N . LEU A 58 ? 1.0835 0.8438 0.7959 0.3818 -0.0486 -0.2688 58 LEU A N 409 C CA . LEU A 58 ? 1.0984 0.8283 0.7888 0.3722 -0.0440 -0.2791 58 LEU A CA 410 C C . LEU A 58 ? 1.1955 0.8120 0.8102 0.3857 -0.0594 -0.2896 58 LEU A C 411 O O . LEU A 58 ? 1.2388 0.7881 0.8205 0.3793 -0.0718 -0.2831 58 LEU A O 412 C CB . LEU A 58 ? 1.0400 0.7828 0.7599 0.3174 -0.0363 -0.2715 58 LEU A CB 413 C CG . LEU A 58 ? 0.9486 0.7852 0.7354 0.2947 -0.0223 -0.2621 58 LEU A CG 414 C CD1 . LEU A 58 ? 0.9156 0.7393 0.7107 0.2489 -0.0183 -0.2587 58 LEU A CD1 415 C CD2 . LEU A 58 ? 0.9248 0.8343 0.7384 0.3201 -0.0104 -0.2661 58 LEU A CD2 416 N N . SER A 59 ? 1.2359 0.8278 0.8199 0.4033 -0.0597 -0.3054 59 SER A N 417 C CA . SER A 59 ? 1.3385 0.8140 0.8463 0.4129 -0.0776 -0.3180 59 SER A CA 418 C C . SER A 59 ? 1.3395 0.7636 0.8384 0.3549 -0.0821 -0.3142 59 SER A C 419 O O . SER A 59 ? 1.2609 0.7465 0.8103 0.3172 -0.0694 -0.3062 59 SER A O 420 C CB . SER A 59 ? 1.3917 0.8586 0.8631 0.4618 -0.0787 -0.3396 59 SER A CB 421 O OG . SER A 59 ? 1.3649 0.8514 0.8459 0.4394 -0.0713 -0.3471 59 SER A OG 422 N N . ASN A 60 ? 1.4336 0.7451 0.8678 0.3481 -0.1012 -0.3192 60 ASN A N 423 C CA . ASN A 60 ? 1.4485 0.7095 0.8719 0.2919 -0.1081 -0.3151 60 ASN A CA 424 C C . ASN A 60 ? 1.4077 0.7149 0.8560 0.2743 -0.1003 -0.3256 60 ASN A C 425 O O . ASN A 60 ? 1.3408 0.6939 0.8331 0.2292 -0.0914 -0.3149 60 ASN A O 426 C CB . ASN A 60 ? 1.5725 0.6993 0.9158 0.2916 -0.1330 -0.3215 60 ASN A CB 427 C CG . ASN A 60 ? 1.6116 0.6842 0.9314 0.2873 -0.1408 -0.3032 60 ASN A CG 428 O OD1 . ASN A 60 ? 1.5732 0.6961 0.9178 0.3133 -0.1324 -0.2944 60 ASN A OD1 429 N ND2 . ASN A 60 ? 1.6911 0.6610 0.9621 0.2527 -0.1581 -0.2964 60 ASN A ND2 430 N N . GLN A 61 ? 1.4516 0.7491 0.8694 0.3142 -0.1037 -0.3465 61 GLN A N 431 C CA . GLN A 61 ? 1.4232 0.7637 0.8562 0.3068 -0.0968 -0.3579 61 GLN A CA 432 C C . GLN A 61 ? 1.3094 0.7727 0.8191 0.2967 -0.0721 -0.3450 61 GLN A C 433 O O . GLN A 61 ? 1.2682 0.7686 0.8024 0.2698 -0.0660 -0.3453 61 GLN A O 434 C CB . GLN A 61 ? 1.4936 0.8050 0.8742 0.3618 -0.1034 -0.3825 61 GLN A CB 435 N N . GLN A 62 ? 1.2665 0.7890 0.8115 0.3182 -0.0603 -0.3338 62 GLN A N 436 C CA . GLN A 62 ? 1.1682 0.7978 0.7839 0.3056 -0.0400 -0.3199 62 GLN A CA 437 C C . GLN A 62 ? 1.1158 0.7551 0.7668 0.2527 -0.0383 -0.3037 62 GLN A C 438 O O . GLN A 62 ? 1.0484 0.7506 0.7444 0.2290 -0.0264 -0.2963 62 GLN A O 439 C CB . GLN A 62 ? 1.1457 0.8335 0.7879 0.3419 -0.0318 -0.3133 62 GLN A CB 440 C CG . GLN A 62 ? 1.1686 0.8979 0.8020 0.3936 -0.0240 -0.3247 62 GLN A CG 441 C CD . GLN A 62 ? 1.1268 0.9444 0.8070 0.4194 -0.0127 -0.3141 62 GLN A CD 442 O OE1 . GLN A 62 ? 1.1059 1.0018 0.8116 0.4426 0.0020 -0.3136 62 GLN A OE1 443 N NE2 . GLN A 62 ? 1.1172 0.9257 0.8088 0.4144 -0.0201 -0.3044 62 GLN A NE2 444 N N . TRP A 63 ? 1.1528 0.7287 0.7796 0.2369 -0.0500 -0.2975 63 TRP A N 445 C CA . TRP A 63 ? 1.1112 0.6946 0.7649 0.1909 -0.0479 -0.2818 63 TRP A CA 446 C C . TRP A 63 ? 1.1138 0.6789 0.7640 0.1508 -0.0514 -0.2843 63 TRP A C 447 O O . TRP A 63 ? 1.0539 0.6700 0.7454 0.1206 -0.0423 -0.2750 63 TRP A O 448 C CB . TRP A 63 ? 1.1555 0.6797 0.7808 0.1880 -0.0579 -0.2719 63 TRP A CB 449 C CG . TRP A 63 ? 1.1255 0.6529 0.7696 0.1422 -0.0552 -0.2555 63 TRP A CG 450 C CD1 . TRP A 63 ? 1.1742 0.6375 0.7876 0.1088 -0.0645 -0.2487 63 TRP A CD1 451 C CD2 . TRP A 63 ? 1.0447 0.6450 0.7408 0.1255 -0.0425 -0.2436 63 TRP A CD2 452 N NE1 . TRP A 63 ? 1.1289 0.6292 0.7740 0.0748 -0.0557 -0.2326 63 TRP A NE1 453 C CE2 . TRP A 63 ? 1.0503 0.6307 0.7433 0.0867 -0.0430 -0.2308 63 TRP A CE2 454 C CE3 . TRP A 63 ? 0.9736 0.6523 0.7167 0.1391 -0.0317 -0.2422 63 TRP A CE3 455 C CZ2 . TRP A 63 ? 0.9873 0.6229 0.7187 0.0673 -0.0327 -0.2192 63 TRP A CZ2 456 C CZ3 . TRP A 63 ? 0.9164 0.6403 0.6959 0.1164 -0.0244 -0.2312 63 TRP A CZ3 457 C CH2 . TRP A 63 ? 0.9265 0.6284 0.6981 0.0839 -0.0248 -0.2210 63 TRP A CH2 458 N N . GLU A 64 ? 1.1894 0.6819 0.7890 0.1523 -0.0663 -0.2977 64 GLU A N 459 C CA . GLU A 64 ? 1.2011 0.6753 0.7957 0.1134 -0.0737 -0.3016 64 GLU A CA 460 C C . GLU A 64 ? 1.1343 0.6860 0.7687 0.1102 -0.0616 -0.3055 64 GLU A C 461 O O . GLU A 64 ? 1.0951 0.6783 0.7587 0.0738 -0.0589 -0.2985 64 GLU A O 462 C CB . GLU A 64 ? 1.3043 0.6823 0.8330 0.1189 -0.0957 -0.3188 64 GLU A CB 463 C CG . GLU A 64 ? 1.3933 0.6759 0.8718 0.1192 -0.1115 -0.3142 64 GLU A CG 464 C CD . GLU A 64 ? 1.3815 0.6621 0.8798 0.0738 -0.1091 -0.2905 64 GLU A CD 465 O OE1 . GLU A 64 ? 1.4151 0.6576 0.8931 0.0843 -0.1114 -0.2794 64 GLU A OE1 466 O OE2 . GLU A 64 ? 1.3415 0.6614 0.8740 0.0303 -0.1047 -0.2824 64 GLU A OE2 467 N N . LYS A 65 ? 1.1246 0.7092 0.7590 0.1499 -0.0539 -0.3152 65 LYS A N 468 C CA . LYS A 65 ? 1.0683 0.7244 0.7351 0.1516 -0.0413 -0.3165 65 LYS A CA 469 C C . LYS A 65 ? 0.9816 0.7106 0.7086 0.1294 -0.0263 -0.2981 65 LYS A C 470 O O . LYS A 65 ? 0.9432 0.7099 0.6944 0.1087 -0.0220 -0.2954 65 LYS A O 471 C CB . LYS A 65 ? 1.0778 0.7610 0.7337 0.2000 -0.0330 -0.3259 65 LYS A CB 472 N N . LEU A 66 ? 0.9570 0.7018 0.7040 0.1360 -0.0206 -0.2868 66 LEU A N 473 C CA . LEU A 66 ? 0.8852 0.6879 0.6820 0.1176 -0.0099 -0.2715 66 LEU A CA 474 C C . LEU A 66 ? 0.8759 0.6643 0.6793 0.0786 -0.0141 -0.2641 66 LEU A C 475 O O . LEU A 66 ? 0.8280 0.6616 0.6646 0.0603 -0.0072 -0.2572 66 LEU A O 476 C CB . LEU A 66 ? 0.8699 0.6916 0.6825 0.1368 -0.0060 -0.2635 66 LEU A CB 477 C CG . LEU A 66 ? 0.8044 0.6863 0.6661 0.1243 0.0029 -0.2504 66 LEU A CG 478 C CD1 . LEU A 66 ? 0.7593 0.7033 0.6520 0.1331 0.0139 -0.2481 66 LEU A CD1 479 C CD2 . LEU A 66 ? 0.8013 0.6831 0.6687 0.1359 0.0000 -0.2440 66 LEU A CD2 480 N N . GLN A 67 ? 0.9271 0.6533 0.6975 0.0668 -0.0253 -0.2644 67 GLN A N 481 C CA . GLN A 67 ? 0.9251 0.6427 0.7012 0.0280 -0.0281 -0.2550 67 GLN A CA 482 C C . GLN A 67 ? 0.9166 0.6520 0.7010 0.0050 -0.0309 -0.2606 67 GLN A C 483 O O . GLN A 67 ? 0.8775 0.6536 0.6915 -0.0189 -0.0257 -0.2522 67 GLN A O 484 C CB . GLN A 67 ? 0.9942 0.6371 0.7294 0.0172 -0.0400 -0.2515 67 GLN A CB 485 C CG . GLN A 67 ? 0.9970 0.6393 0.7404 -0.0253 -0.0406 -0.2377 67 GLN A CG 486 C CD . GLN A 67 ? 1.0675 0.6407 0.7729 -0.0370 -0.0492 -0.2275 67 GLN A CD 487 O OE1 . GLN A 67 ? 1.1417 0.6536 0.8130 -0.0573 -0.0633 -0.2297 67 GLN A OE1 488 N NE2 . GLN A 67 ? 1.0522 0.6310 0.7602 -0.0250 -0.0427 -0.2158 67 GLN A NE2 489 N N . HIS A 68 ? 0.9586 0.6646 0.7145 0.0158 -0.0400 -0.2759 68 HIS A N 490 C CA . HIS A 68 ? 0.9587 0.6788 0.7170 -0.0022 -0.0461 -0.2839 68 HIS A CA 491 C C . HIS A 68 ? 0.8890 0.6840 0.6867 0.0050 -0.0328 -0.2807 68 HIS A C 492 O O . HIS A 68 ? 0.8654 0.6934 0.6832 -0.0165 -0.0337 -0.2787 68 HIS A O 493 C CB . HIS A 68 ? 1.0274 0.6923 0.7378 0.0132 -0.0610 -0.3034 68 HIS A CB 494 C CG . HIS A 68 ? 1.0326 0.7135 0.7422 -0.0008 -0.0693 -0.3139 68 HIS A CG 495 N ND1 . HIS A 68 ? 1.0199 0.7315 0.7269 0.0257 -0.0645 -0.3239 68 HIS A ND1 496 C CD2 . HIS A 68 ? 1.0509 0.7259 0.7627 -0.0387 -0.0826 -0.3148 68 HIS A CD2 497 C CE1 . HIS A 68 ? 1.0312 0.7509 0.7353 0.0070 -0.0756 -0.3320 68 HIS A CE1 498 N NE2 . HIS A 68 ? 1.0514 0.7514 0.7605 -0.0325 -0.0875 -0.3273 68 HIS A NE2 499 N N . MET A 69 ? 0.8621 0.6836 0.6704 0.0351 -0.0212 -0.2792 69 MET A N 500 C CA . MET A 69 ? 0.8047 0.6901 0.6484 0.0413 -0.0085 -0.2724 69 MET A CA 501 C C . MET A 69 ? 0.7596 0.6780 0.6372 0.0170 -0.0045 -0.2602 69 MET A C 502 O O . MET A 69 ? 0.7337 0.6869 0.6286 0.0078 -0.0029 -0.2586 69 MET A O 503 C CB . MET A 69 ? 0.7880 0.6953 0.6422 0.0700 0.0022 -0.2680 69 MET A CB 504 C CG . MET A 69 ? 0.7545 0.7168 0.6332 0.0800 0.0138 -0.2620 69 MET A CG 505 S SD . MET A 69 ? 0.7045 0.7114 0.6278 0.0608 0.0206 -0.2462 69 MET A SD 506 C CE . MET A 69 ? 0.6896 0.6877 0.6252 0.0624 0.0208 -0.2395 69 MET A CE 507 N N . PHE A 70 ? 0.7554 0.6617 0.6382 0.0103 -0.0033 -0.2521 70 PHE A N 508 C CA . PHE A 70 ? 0.7216 0.6562 0.6299 -0.0078 0.0008 -0.2414 70 PHE A CA 509 C C . PHE A 70 ? 0.7354 0.6697 0.6423 -0.0366 -0.0052 -0.2409 70 PHE A C 510 O O . PHE A 70 ? 0.7058 0.6818 0.6369 -0.0473 -0.0011 -0.2353 70 PHE A O 511 C CB . PHE A 70 ? 0.7229 0.6437 0.6310 -0.0038 0.0033 -0.2334 70 PHE A CB 512 C CG . PHE A 70 ? 0.6967 0.6436 0.6242 0.0166 0.0096 -0.2301 70 PHE A CG 513 C CD1 . PHE A 70 ? 0.6564 0.6438 0.6118 0.0145 0.0147 -0.2249 70 PHE A CD1 514 C CD2 . PHE A 70 ? 0.7158 0.6466 0.6332 0.0380 0.0087 -0.2322 70 PHE A CD2 515 C CE1 . PHE A 70 ? 0.6347 0.6421 0.6080 0.0279 0.0175 -0.2212 70 PHE A CE1 516 C CE2 . PHE A 70 ? 0.6881 0.6504 0.6286 0.0525 0.0130 -0.2279 70 PHE A CE2 517 C CZ . PHE A 70 ? 0.6489 0.6475 0.6176 0.0446 0.0167 -0.2221 70 PHE A CZ 518 N N . GLN A 71 ? 0.7855 0.6734 0.6636 -0.0488 -0.0161 -0.2467 71 GLN A N 519 C CA . GLN A 71 ? 0.8049 0.6940 0.6834 -0.0817 -0.0244 -0.2454 71 GLN A CA 520 C C . GLN A 71 ? 0.7795 0.7156 0.6771 -0.0843 -0.0260 -0.2514 71 GLN A C 521 O O . GLN A 71 ? 0.7577 0.7387 0.6805 -0.1022 -0.0242 -0.2449 71 GLN A O 522 C CB . GLN A 71 ? 0.8749 0.6948 0.7137 -0.0948 -0.0399 -0.2523 71 GLN A CB 523 C CG . GLN A 71 ? 0.9090 0.6848 0.7301 -0.1060 -0.0405 -0.2408 71 GLN A CG 524 C CD . GLN A 71 ? 0.9924 0.6835 0.7651 -0.1126 -0.0578 -0.2481 71 GLN A CD 525 O OE1 . GLN A 71 ? 1.0280 0.6878 0.7753 -0.0966 -0.0683 -0.2651 71 GLN A OE1 526 N NE2 . GLN A 71 ? 1.0344 0.6841 0.7897 -0.1346 -0.0614 -0.2349 71 GLN A NE2 527 N N . VAL A 72 ? 0.7843 0.7135 0.6684 -0.0631 -0.0287 -0.2630 72 VAL A N 528 C CA . VAL A 72 ? 0.7630 0.7337 0.6595 -0.0593 -0.0300 -0.2680 72 VAL A CA 529 C C . VAL A 72 ? 0.7078 0.7331 0.6387 -0.0510 -0.0171 -0.2570 72 VAL A C 530 O O . VAL A 72 ? 0.6909 0.7575 0.6401 -0.0586 -0.0189 -0.2556 72 VAL A O 531 C CB . VAL A 72 ? 0.7821 0.7347 0.6525 -0.0335 -0.0326 -0.2803 72 VAL A CB 532 C CG1 . VAL A 72 ? 0.7582 0.7541 0.6387 -0.0269 -0.0327 -0.2826 72 VAL A CG1 533 C CG2 . VAL A 72 ? 0.8477 0.7402 0.6770 -0.0391 -0.0491 -0.2948 72 VAL A CG2 534 N N . TYR A 73 ? 0.6859 0.7089 0.6236 -0.0349 -0.0064 -0.2500 73 TYR A N 535 C CA . TYR A 73 ? 0.6436 0.7049 0.6074 -0.0261 0.0027 -0.2410 73 TYR A CA 536 C C . TYR A 73 ? 0.6313 0.7226 0.6139 -0.0415 0.0037 -0.2347 73 TYR A C 537 O O . TYR A 73 ? 0.6107 0.7396 0.6093 -0.0366 0.0051 -0.2328 73 TYR A O 538 C CB . TYR A 73 ? 0.6287 0.6780 0.5954 -0.0107 0.0102 -0.2356 73 TYR A CB 539 C CG . TYR A 73 ? 0.5947 0.6693 0.5830 -0.0071 0.0157 -0.2273 73 TYR A CG 540 C CD1 . TYR A 73 ? 0.5718 0.6718 0.5721 0.0016 0.0175 -0.2244 73 TYR A CD1 541 C CD2 . TYR A 73 ? 0.5920 0.6595 0.5831 -0.0107 0.0175 -0.2225 73 TYR A CD2 542 C CE1 . TYR A 73 ? 0.5535 0.6660 0.5668 0.0067 0.0193 -0.2188 73 TYR A CE1 543 C CE2 . TYR A 73 ? 0.5703 0.6557 0.5749 -0.0046 0.0201 -0.2177 73 TYR A CE2 544 C CZ . TYR A 73 ? 0.5549 0.6602 0.5700 0.0041 0.0202 -0.2167 73 TYR A CZ 545 O OH . TYR A 73 ? 0.5390 0.6518 0.5612 0.0119 0.0198 -0.2139 73 TYR A OH 546 N N . ARG A 74 ? 0.6479 0.7233 0.6263 -0.0577 0.0034 -0.2307 74 ARG A N 547 C CA . ARG A 74 ? 0.6366 0.7461 0.6317 -0.0707 0.0075 -0.2224 74 ARG A CA 548 C C . ARG A 74 ? 0.6343 0.7893 0.6451 -0.0829 0.0028 -0.2243 74 ARG A C 549 O O . ARG A 74 ? 0.6111 0.8118 0.6407 -0.0740 0.0074 -0.2211 74 ARG A O 550 C CB . ARG A 74 ? 0.6644 0.7464 0.6472 -0.0898 0.0079 -0.2153 74 ARG A CB 551 C CG . ARG A 74 ? 0.6492 0.7672 0.6459 -0.0961 0.0168 -0.2040 74 ARG A CG 552 C CD . ARG A 74 ? 0.6738 0.7586 0.6528 -0.1116 0.0188 -0.1939 74 ARG A CD 553 N NE . ARG A 74 ? 0.7040 0.7802 0.6777 -0.1458 0.0124 -0.1889 74 ARG A NE 554 C CZ . ARG A 74 ? 0.7373 0.7850 0.6943 -0.1674 0.0131 -0.1764 74 ARG A CZ 555 N NH1 . ARG A 74 ? 0.7418 0.7690 0.6844 -0.1547 0.0205 -0.1685 74 ARG A NH1 556 N NH2 . ARG A 74 ? 0.7785 0.8164 0.7317 -0.2031 0.0050 -0.1710 74 ARG A NH2 557 N N . VAL A 75 ? 0.6631 0.8044 0.6642 -0.1009 -0.0082 -0.2306 75 VAL A N 558 C CA . VAL A 75 ? 0.6662 0.8526 0.6830 -0.1161 -0.0164 -0.2333 75 VAL A CA 559 C C . VAL A 75 ? 0.6424 0.8584 0.6661 -0.0919 -0.0176 -0.2392 75 VAL A C 560 O O . VAL A 75 ? 0.6303 0.9003 0.6739 -0.0925 -0.0202 -0.2384 75 VAL A O 561 C CB . VAL A 75 ? 0.7127 0.8674 0.7124 -0.1432 -0.0324 -0.2407 75 VAL A CB 562 C CG1 . VAL A 75 ? 0.7187 0.9294 0.7414 -0.1665 -0.0423 -0.2409 75 VAL A CG1 563 C CG2 . VAL A 75 ? 0.7531 0.8584 0.7357 -0.1645 -0.0327 -0.2340 75 VAL A CG2 564 N N . SER A 76 ? 0.6396 0.8227 0.6461 -0.0700 -0.0156 -0.2436 76 SER A N 565 C CA . SER A 76 ? 0.6236 0.8261 0.6309 -0.0472 -0.0156 -0.2458 76 SER A CA 566 C C . SER A 76 ? 0.5937 0.8222 0.6173 -0.0295 -0.0066 -0.2374 76 SER A C 567 O O . SER A 76 ? 0.5862 0.8488 0.6179 -0.0176 -0.0092 -0.2369 76 SER A O 568 C CB . SER A 76 ? 0.6349 0.7986 0.6187 -0.0314 -0.0144 -0.2501 76 SER A CB 569 O OG . SER A 76 ? 0.6694 0.8021 0.6306 -0.0423 -0.0245 -0.2607 76 SER A OG 570 N N . PHE A 77 ? 0.5825 0.7910 0.6071 -0.0259 0.0019 -0.2318 77 PHE A N 571 C CA . PHE A 77 ? 0.5627 0.7844 0.5966 -0.0092 0.0078 -0.2260 77 PHE A CA 572 C C . PHE A 77 ? 0.5564 0.8277 0.6059 -0.0086 0.0074 -0.2248 77 PHE A C 573 O O . PHE A 77 ? 0.5530 0.8452 0.6055 0.0109 0.0058 -0.2246 77 PHE A O 574 C CB . PHE A 77 ? 0.5605 0.7543 0.5913 -0.0092 0.0140 -0.2221 77 PHE A CB 575 C CG . PHE A 77 ? 0.5520 0.7546 0.5877 0.0064 0.0171 -0.2187 77 PHE A CG 576 C CD1 . PHE A 77 ? 0.5531 0.7737 0.5928 0.0038 0.0213 -0.2164 77 PHE A CD1 577 C CD2 . PHE A 77 ? 0.5515 0.7416 0.5842 0.0238 0.0151 -0.2174 77 PHE A CD2 578 C CE1 . PHE A 77 ? 0.5526 0.7773 0.5903 0.0227 0.0225 -0.2161 77 PHE A CE1 579 C CE2 . PHE A 77 ? 0.5480 0.7359 0.5792 0.0388 0.0142 -0.2164 77 PHE A CE2 580 C CZ . PHE A 77 ? 0.5520 0.7565 0.5842 0.0404 0.0174 -0.2174 77 PHE A CZ 581 N N . THR A 78 ? 0.5594 0.8499 0.6175 -0.0295 0.0089 -0.2228 78 THR A N 582 C CA . THR A 78 ? 0.5513 0.9019 0.6285 -0.0315 0.0105 -0.2199 78 THR A CA 583 C C . THR A 78 ? 0.5482 0.9376 0.6340 -0.0215 0.0018 -0.2247 78 THR A C 584 O O . THR A 78 ? 0.5424 0.9643 0.6340 0.0028 0.0027 -0.2245 78 THR A O 585 C CB . THR A 78 ? 0.5648 0.9321 0.6510 -0.0649 0.0116 -0.2146 78 THR A CB 586 O OG1 . THR A 78 ? 0.5720 0.8882 0.6421 -0.0746 0.0164 -0.2106 78 THR A OG1 587 C CG2 . THR A 78 ? 0.5594 0.9952 0.6671 -0.0647 0.0190 -0.2075 78 THR A CG2 588 N N . ARG A 79 ? 0.5570 0.9380 0.6386 -0.0369 -0.0080 -0.2301 79 ARG A N 589 C CA . ARG A 79 ? 0.5562 0.9751 0.6438 -0.0301 -0.0189 -0.2353 79 ARG A CA 590 C C . ARG A 79 ? 0.5520 0.9571 0.6256 0.0034 -0.0197 -0.2360 79 ARG A C 591 O O . ARG A 79 ? 0.5547 0.9981 0.6333 0.0194 -0.0266 -0.2376 79 ARG A O 592 C CB . ARG A 79 ? 0.5772 0.9801 0.6562 -0.0539 -0.0317 -0.2429 79 ARG A CB 593 C CG . ARG A 79 ? 0.5743 1.0340 0.6681 -0.0600 -0.0460 -0.2481 79 ARG A CG 594 C CD . ARG A 79 ? 0.5858 1.0149 0.6588 -0.0725 -0.0615 -0.2592 79 ARG A CD 595 N NE . ARG A 79 ? 0.5755 0.9833 0.6248 -0.0423 -0.0632 -0.2630 79 ARG A NE 596 C CZ . ARG A 79 ? 0.5923 0.9759 0.6168 -0.0420 -0.0752 -0.2730 79 ARG A CZ 597 N NH1 . ARG A 79 ? 0.6218 0.9926 0.6399 -0.0701 -0.0895 -0.2829 79 ARG A NH1 598 N NH2 . ARG A 79 ? 0.5889 0.9580 0.5912 -0.0136 -0.0737 -0.2726 79 ARG A NH2 599 N N . ASP A 80 ? 0.5491 0.9007 0.6053 0.0132 -0.0133 -0.2333 80 ASP A N 600 C CA . ASP A 80 ? 0.5526 0.8853 0.5947 0.0401 -0.0135 -0.2301 80 ASP A CA 601 C C . ASP A 80 ? 0.5483 0.8976 0.5948 0.0633 -0.0115 -0.2267 80 ASP A C 602 O O . ASP A 80 ? 0.5576 0.9183 0.5970 0.0860 -0.0175 -0.2259 80 ASP A O 603 C CB . ASP A 80 ? 0.5551 0.8334 0.5816 0.0399 -0.0076 -0.2263 80 ASP A CB 604 C CG . ASP A 80 ? 0.5731 0.8356 0.5840 0.0356 -0.0111 -0.2294 80 ASP A CG 605 O OD1 . ASP A 80 ? 0.5920 0.8689 0.6031 0.0212 -0.0182 -0.2375 80 ASP A OD1 606 O OD2 . ASP A 80 ? 0.5793 0.8153 0.5765 0.0460 -0.0071 -0.2234 80 ASP A OD2 607 N N . ILE A 81 ? 0.5402 0.8873 0.5934 0.0602 -0.0042 -0.2254 81 ILE A N 608 C CA . ILE A 81 ? 0.5457 0.9048 0.5974 0.0852 -0.0028 -0.2249 81 ILE A CA 609 C C . ILE A 81 ? 0.5510 0.9763 0.6162 0.0986 -0.0068 -0.2276 81 ILE A C 610 O O . ILE A 81 ? 0.5666 0.9976 0.6217 0.1296 -0.0122 -0.2286 81 ILE A O 611 C CB . ILE A 81 ? 0.5403 0.8903 0.5941 0.0794 0.0057 -0.2240 81 ILE A CB 612 C CG1 . ILE A 81 ? 0.5367 0.8262 0.5790 0.0694 0.0076 -0.2216 81 ILE A CG1 613 C CG2 . ILE A 81 ? 0.5486 0.9139 0.5958 0.1096 0.0062 -0.2262 81 ILE A CG2 614 C CD1 . ILE A 81 ? 0.5471 0.7925 0.5731 0.0862 0.0020 -0.2193 81 ILE A CD1 615 N N . GLN A 82 ? 0.5421 1.0164 0.6294 0.0748 -0.0057 -0.2282 82 GLN A N 616 C CA . GLN A 82 ? 0.5430 1.0944 0.6511 0.0814 -0.0102 -0.2298 82 GLN A CA 617 C C . GLN A 82 ? 0.5548 1.1119 0.6531 0.1048 -0.0225 -0.2330 82 GLN A C 618 O O . GLN A 82 ? 0.5637 1.1648 0.6658 0.1343 -0.0264 -0.2344 82 GLN A O 619 C CB . GLN A 82 ? 0.5377 1.1290 0.6699 0.0418 -0.0112 -0.2288 82 GLN A CB 620 C CG . GLN A 82 ? 0.5389 1.1365 0.6813 0.0188 0.0010 -0.2223 82 GLN A CG 621 C CD . GLN A 82 ? 0.5559 1.1763 0.7167 -0.0258 -0.0025 -0.2193 82 GLN A CD 622 O OE1 . GLN A 82 ? 0.5692 1.1876 0.7311 -0.0412 -0.0158 -0.2247 82 GLN A OE1 623 N NE2 . GLN A 82 ? 0.5636 1.2017 0.7350 -0.0473 0.0081 -0.2101 82 GLN A NE2 624 N N . GLU A 83 ? 0.5606 1.0735 0.6432 0.0948 -0.0285 -0.2337 83 GLU A N 625 C CA . GLU A 83 ? 0.5777 1.0912 0.6456 0.1155 -0.0401 -0.2349 83 GLU A CA 626 C C . GLU A 83 ? 0.5970 1.0681 0.6386 0.1509 -0.0406 -0.2302 83 GLU A C 627 O O . GLU A 83 ? 0.6179 1.1051 0.6489 0.1792 -0.0500 -0.2300 83 GLU A O 628 C CB . GLU A 83 ? 0.5812 1.0626 0.6360 0.0956 -0.0453 -0.2368 83 GLU A CB 629 C CG . GLU A 83 ? 0.5755 1.0912 0.6490 0.0620 -0.0515 -0.2436 83 GLU A CG 630 C CD . GLU A 83 ? 0.5783 1.1725 0.6743 0.0647 -0.0638 -0.2478 83 GLU A CD 631 O OE1 . GLU A 83 ? 0.5918 1.1988 0.6756 0.0862 -0.0753 -0.2500 83 GLU A OE1 632 O OE2 . GLU A 83 ? 0.5658 1.2125 0.6921 0.0445 -0.0621 -0.2477 83 GLU A OE2 633 N N . LEU A 84 ? 0.5965 1.0114 0.6260 0.1489 -0.0325 -0.2262 84 LEU A N 634 C CA . LEU A 84 ? 0.6240 0.9900 0.6276 0.1769 -0.0351 -0.2215 84 LEU A CA 635 C C . LEU A 84 ? 0.6428 1.0391 0.6455 0.2103 -0.0383 -0.2260 84 LEU A C 636 O O . LEU A 84 ? 0.6756 1.0504 0.6543 0.2427 -0.0474 -0.2244 84 LEU A O 637 C CB . LEU A 84 ? 0.6183 0.9235 0.6137 0.1626 -0.0279 -0.2172 84 LEU A CB 638 C CG . LEU A 84 ? 0.6094 0.8772 0.5987 0.1403 -0.0246 -0.2108 84 LEU A CG 639 C CD1 . LEU A 84 ? 0.6019 0.8320 0.5941 0.1240 -0.0172 -0.2086 84 LEU A CD1 640 C CD2 . LEU A 84 ? 0.6364 0.8705 0.6005 0.1549 -0.0307 -0.2010 84 LEU A CD2 641 N N . VAL A 85 ? 0.6272 1.0725 0.6530 0.2037 -0.0306 -0.2309 85 VAL A N 642 C CA . VAL A 85 ? 0.6434 1.1363 0.6720 0.2368 -0.0310 -0.2359 85 VAL A CA 643 C C . VAL A 85 ? 0.6607 1.2080 0.6938 0.2608 -0.0416 -0.2377 85 VAL A C 644 O O . VAL A 85 ? 0.6939 1.2420 0.7078 0.3037 -0.0487 -0.2405 85 VAL A O 645 C CB . VAL A 85 ? 0.6180 1.1709 0.6755 0.2192 -0.0183 -0.2374 85 VAL A CB 646 C CG1 . VAL A 85 ? 0.6339 1.2500 0.6955 0.2571 -0.0166 -0.2420 85 VAL A CG1 647 C CG2 . VAL A 85 ? 0.6103 1.1092 0.6592 0.2005 -0.0094 -0.2358 85 VAL A CG2 648 N N . LYS A 86 ? 0.6463 1.2348 0.7015 0.2346 -0.0446 -0.2371 86 LYS A N 649 C CA . LYS A 86 ? 0.6621 1.3059 0.7236 0.2526 -0.0573 -0.2392 86 LYS A CA 650 C C . LYS A 86 ? 0.7014 1.2864 0.7237 0.2820 -0.0690 -0.2357 86 LYS A C 651 O O . LYS A 86 ? 0.7259 1.3445 0.7411 0.3164 -0.0806 -0.2373 86 LYS A O 652 C CB . LYS A 86 ? 0.6402 1.3270 0.7288 0.2128 -0.0610 -0.2406 86 LYS A CB 653 C CG . LYS A 86 ? 0.6164 1.3818 0.7472 0.1852 -0.0541 -0.2418 86 LYS A CG 654 C CD . LYS A 86 ? 0.6002 1.3805 0.7493 0.1390 -0.0605 -0.2435 86 LYS A CD 655 C CE . LYS A 86 ? 0.5813 1.4276 0.7698 0.1041 -0.0536 -0.2410 86 LYS A CE 656 N NZ . LYS A 86 ? 0.5769 1.4050 0.7726 0.0546 -0.0598 -0.2425 86 LYS A NZ 657 N N . MET A 87 ? 0.7125 1.2130 0.7098 0.2684 -0.0661 -0.2293 87 MET A N 658 C CA . MET A 87 ? 0.7565 1.1934 0.7143 0.2900 -0.0751 -0.2214 87 MET A CA 659 C C . MET A 87 ? 0.8027 1.1998 0.7318 0.3307 -0.0803 -0.2208 87 MET A C 660 O O . MET A 87 ? 0.8474 1.2188 0.7454 0.3632 -0.0925 -0.2163 87 MET A O 661 C CB . MET A 87 ? 0.7502 1.1190 0.6949 0.2598 -0.0684 -0.2127 87 MET A CB 662 C CG . MET A 87 ? 0.7807 1.1156 0.6957 0.2667 -0.0756 -0.2026 87 MET A CG 663 S SD . MET A 87 ? 0.7732 1.0456 0.6774 0.2325 -0.0644 -0.1910 87 MET A SD 664 C CE . MET A 87 ? 0.8140 1.0053 0.6898 0.2462 -0.0656 -0.1786 87 MET A CE 665 N N . MET A 88 ? 0.8010 1.1886 0.7359 0.3302 -0.0725 -0.2258 88 MET A N 666 C CA . MET A 88 ? 0.8518 1.2004 0.7567 0.3702 -0.0788 -0.2294 88 MET A CA 667 C C . MET A 88 ? 0.8511 1.2836 0.7748 0.4000 -0.0768 -0.2406 88 MET A C 668 O O . MET A 88 ? 0.8657 1.2887 0.7799 0.4191 -0.0735 -0.2476 88 MET A O 669 C CB . MET A 88 ? 0.8550 1.1334 0.7483 0.3526 -0.0734 -0.2285 88 MET A CB 670 C CG . MET A 88 ? 0.8429 1.0696 0.7376 0.3103 -0.0687 -0.2175 88 MET A CG 671 S SD . MET A 88 ? 0.9121 1.0379 0.7614 0.3169 -0.0810 -0.2024 88 MET A SD 672 C CE . MET A 88 ? 0.9185 1.0758 0.7590 0.3323 -0.0879 -0.1951 88 MET A CE 673 N N . SER A 89 ? 0.8388 1.3572 0.7889 0.4044 -0.0792 -0.2423 89 SER A N 674 C CA . SER A 89 ? 0.8285 1.4507 0.8096 0.4232 -0.0745 -0.2502 89 SER A CA 675 C C . SER A 89 ? 0.8749 1.4895 0.8293 0.4768 -0.0763 -0.2583 89 SER A C 676 O O . SER A 89 ? 0.8632 1.5092 0.8308 0.4760 -0.0637 -0.2631 89 SER A O 677 C CB . SER A 89 ? 0.8198 1.5288 0.8258 0.4298 -0.0835 -0.2506 89 SER A CB 678 N N . PRO A 90 ? 0.9367 1.5041 0.8480 0.5253 -0.0925 -0.2597 90 PRO A N 679 C CA . PRO A 90 ? 0.9904 1.5423 0.8684 0.5820 -0.0969 -0.2700 90 PRO A CA 680 C C . PRO A 90 ? 1.0192 1.4653 0.8606 0.5774 -0.0965 -0.2728 90 PRO A C 681 O O . PRO A 90 ? 1.0520 1.4947 0.8719 0.6151 -0.0962 -0.2841 90 PRO A O 682 C CB . PRO A 90 ? 1.0521 1.5723 0.8901 0.6323 -0.1176 -0.2694 90 PRO A CB 683 C CG . PRO A 90 ? 1.0221 1.5737 0.8833 0.6026 -0.1216 -0.2593 90 PRO A CG 684 C CD . PRO A 90 ? 0.9656 1.4950 0.8529 0.5353 -0.1083 -0.2523 90 PRO A CD 685 N N . LYS A 91 ? 1.0083 1.3744 0.8429 0.5328 -0.0970 -0.2630 91 LYS A N 686 C CA . LYS A 91 ? 1.0386 1.3006 0.8399 0.5233 -0.1005 -0.2639 91 LYS A CA 687 C C . LYS A 91 ? 1.0042 1.2952 0.8269 0.5046 -0.0852 -0.2712 91 LYS A C 688 O O . LYS A 91 ? 1.0397 1.3272 0.8397 0.5410 -0.0866 -0.2835 91 LYS A O 689 C CB . LYS A 91 ? 1.0324 1.2170 0.8271 0.4795 -0.1039 -0.2490 91 LYS A CB 690 C CG . LYS A 91 ? 1.0790 1.2212 0.8438 0.4966 -0.1188 -0.2384 91 LYS A CG 691 N N . GLU A 92 ? 0.9435 1.2599 0.8050 0.4508 -0.0713 -0.2638 92 GLU A N 692 C CA . GLU A 92 ? 0.9099 1.2551 0.7923 0.4289 -0.0562 -0.2677 92 GLU A CA 693 C C . GLU A 92 ? 0.8632 1.3282 0.7922 0.4193 -0.0407 -0.2669 92 GLU A C 694 O O . GLU A 92 ? 0.8428 1.3603 0.7978 0.4081 -0.0414 -0.2615 92 GLU A O 695 C CB . GLU A 92 ? 0.8799 1.1705 0.7716 0.3769 -0.0521 -0.2595 92 GLU A CB 696 N N . ASP A 93 ? 0.8513 1.3591 0.7892 0.4229 -0.0277 -0.2715 93 ASP A N 697 C CA . ASP A 93 ? 0.8081 1.4302 0.7913 0.4076 -0.0114 -0.2673 93 ASP A CA 698 C C . ASP A 93 ? 0.7865 1.4218 0.7783 0.3848 0.0049 -0.2654 93 ASP A C 699 O O . ASP A 93 ? 0.8111 1.3779 0.7696 0.3953 0.0027 -0.2713 93 ASP A O 700 C CB . ASP A 93 ? 0.8314 1.5404 0.8191 0.4579 -0.0120 -0.2731 93 ASP A CB 701 C CG . ASP A 93 ? 0.8873 1.5730 0.8319 0.5153 -0.0141 -0.2859 93 ASP A CG 702 O OD1 . ASP A 93 ? 0.9220 1.5007 0.8229 0.5237 -0.0244 -0.2921 93 ASP A OD1 703 O OD2 . ASP A 93 ? 0.9015 1.6783 0.8555 0.5531 -0.0063 -0.2901 93 ASP A OD2 704 N N . TYR A 94 ? 0.7440 1.4654 0.7785 0.3525 0.0196 -0.2563 94 TYR A N 705 C CA . TYR A 94 ? 0.7218 1.4588 0.7662 0.3240 0.0361 -0.2499 94 TYR A CA 706 C C . TYR A 94 ? 0.7502 1.5164 0.7722 0.3661 0.0458 -0.2562 94 TYR A C 707 O O . TYR A 94 ? 0.7782 1.5895 0.7912 0.4152 0.0435 -0.2640 94 TYR A O 708 C CB . TYR A 94 ? 0.6841 1.5052 0.7777 0.2781 0.0472 -0.2367 94 TYR A CB 709 C CG . TYR A 94 ? 0.6582 1.4486 0.7683 0.2387 0.0366 -0.2330 94 TYR A CG 710 C CD1 . TYR A 94 ? 0.6488 1.3563 0.7478 0.2046 0.0344 -0.2306 94 TYR A CD1 711 C CD2 . TYR A 94 ? 0.6498 1.4966 0.7845 0.2387 0.0281 -0.2328 94 TYR A CD2 712 C CE1 . TYR A 94 ? 0.6323 1.3127 0.7417 0.1735 0.0255 -0.2285 94 TYR A CE1 713 C CE2 . TYR A 94 ? 0.6340 1.4508 0.7779 0.2055 0.0176 -0.2310 94 TYR A CE2 714 C CZ . TYR A 94 ? 0.6256 1.3584 0.7553 0.1740 0.0171 -0.2291 94 TYR A CZ 715 O OH . TYR A 94 ? 0.6154 1.3191 0.7494 0.1461 0.0075 -0.2286 94 TYR A OH 716 N N . PRO A 95 ? 0.7469 1.4887 0.7568 0.3507 0.0561 -0.2534 95 PRO A N 717 C CA . PRO A 95 ? 0.7161 1.4091 0.7343 0.2978 0.0593 -0.2443 95 PRO A CA 718 C C . PRO A 95 ? 0.7220 1.2994 0.7107 0.2939 0.0427 -0.2516 95 PRO A C 719 O O . PRO A 95 ? 0.7616 1.2842 0.7125 0.3310 0.0315 -0.2639 95 PRO A O 720 C CB . PRO A 95 ? 0.7263 1.4484 0.7356 0.2979 0.0763 -0.2392 95 PRO A CB 721 C CG . PRO A 95 ? 0.7710 1.5048 0.7460 0.3592 0.0754 -0.2529 95 PRO A CG 722 C CD . PRO A 95 ? 0.7820 1.5471 0.7636 0.3926 0.0654 -0.2603 95 PRO A CD 723 N N . ILE A 96 ? 0.6872 1.2292 0.6926 0.2491 0.0405 -0.2440 96 ILE A N 724 C CA . ILE A 96 ? 0.6864 1.1333 0.6723 0.2403 0.0268 -0.2477 96 ILE A CA 725 C C . ILE A 96 ? 0.6697 1.0814 0.6567 0.2059 0.0320 -0.2419 96 ILE A C 726 O O . ILE A 96 ? 0.6453 1.0898 0.6563 0.1722 0.0421 -0.2319 96 ILE A O 727 C CB . ILE A 96 ? 0.6714 1.1043 0.6708 0.2271 0.0173 -0.2450 96 ILE A CB 728 C CG1 . ILE A 96 ? 0.6968 1.1491 0.6858 0.2681 0.0084 -0.2514 96 ILE A CG1 729 C CG2 . ILE A 96 ? 0.6719 1.0186 0.6571 0.2112 0.0071 -0.2445 96 ILE A CG2 730 C CD1 . ILE A 96 ? 0.6863 1.1464 0.6894 0.2588 0.0008 -0.2475 96 ILE A CD1 731 N N . GLU A 97 ? 0.6881 1.0313 0.6472 0.2152 0.0231 -0.2484 97 GLU A N 732 C CA . GLU A 97 ? 0.6764 0.9831 0.6332 0.1888 0.0252 -0.2442 97 GLU A CA 733 C C . GLU A 97 ? 0.6691 0.9082 0.6245 0.1727 0.0123 -0.2445 97 GLU A C 734 O O . GLU A 97 ? 0.6944 0.8854 0.6301 0.1903 -0.0018 -0.2515 97 GLU A O 735 C CB . GLU A 97 ? 0.7070 1.0007 0.6343 0.2109 0.0256 -0.2510 97 GLU A CB 736 C CG . GLU A 97 ? 0.7202 1.0873 0.6469 0.2272 0.0421 -0.2482 97 GLU A CG 737 C CD . GLU A 97 ? 0.6991 1.1115 0.6502 0.1907 0.0590 -0.2319 97 GLU A CD 738 O OE1 . GLU A 97 ? 0.6853 1.0634 0.6478 0.1566 0.0567 -0.2253 97 GLU A OE1 739 O OE2 . GLU A 97 ? 0.7059 1.1885 0.6635 0.1965 0.0745 -0.2250 97 GLU A OE2 740 N N . ILE A 98 ? 0.6386 0.8743 0.6133 0.1392 0.0170 -0.2361 98 ILE A N 741 C CA . ILE A 98 ? 0.6272 0.8136 0.6054 0.1228 0.0084 -0.2342 98 ILE A CA 742 C C . ILE A 98 ? 0.6200 0.7820 0.5975 0.1046 0.0098 -0.2313 98 ILE A C 743 O O . ILE A 98 ? 0.6103 0.7953 0.5935 0.0905 0.0199 -0.2260 98 ILE A O 744 C CB . ILE A 98 ? 0.6061 0.8087 0.6038 0.1068 0.0105 -0.2287 98 ILE A CB 745 C CG1 . ILE A 98 ? 0.6195 0.8391 0.6136 0.1294 0.0054 -0.2318 98 ILE A CG1 746 C CG2 . ILE A 98 ? 0.5952 0.7566 0.5967 0.0902 0.0055 -0.2249 98 ILE A CG2 747 C CD1 . ILE A 98 ? 0.6060 0.8373 0.6128 0.1189 0.0044 -0.2275 98 ILE A CD1 748 N N . GLN A 99 ? 0.6299 0.7456 0.5999 0.1046 -0.0014 -0.2337 99 GLN A N 749 C CA . GLN A 99 ? 0.6275 0.7212 0.5970 0.0917 -0.0032 -0.2320 99 GLN A CA 750 C C . GLN A 99 ? 0.6179 0.6873 0.6017 0.0763 -0.0091 -0.2276 99 GLN A C 751 O O . GLN A 99 ? 0.6287 0.6757 0.6118 0.0796 -0.0189 -0.2281 99 GLN A O 752 C CB . GLN A 99 ? 0.6560 0.7252 0.6023 0.1086 -0.0135 -0.2402 99 GLN A CB 753 C CG . GLN A 99 ? 0.6681 0.7647 0.5970 0.1240 -0.0048 -0.2429 99 GLN A CG 754 C CD . GLN A 99 ? 0.7061 0.7796 0.6046 0.1520 -0.0169 -0.2553 99 GLN A CD 755 O OE1 . GLN A 99 ? 0.7260 0.7949 0.6141 0.1722 -0.0227 -0.2622 99 GLN A OE1 756 N NE2 . GLN A 99 ? 0.7223 0.7774 0.6022 0.1560 -0.0226 -0.2593 99 GLN A NE2 757 N N . LEU A 100 ? 0.6032 0.6767 0.5977 0.0604 -0.0030 -0.2225 100 LEU A N 758 C CA . LEU A 100 ? 0.5974 0.6574 0.6058 0.0493 -0.0063 -0.2181 100 LEU A CA 759 C C . LEU A 100 ? 0.6020 0.6482 0.6102 0.0464 -0.0117 -0.2183 100 LEU A C 760 O O . LEU A 100 ? 0.6038 0.6529 0.6049 0.0452 -0.0067 -0.2178 100 LEU A O 761 C CB . LEU A 100 ? 0.5829 0.6586 0.6013 0.0389 0.0032 -0.2138 100 LEU A CB 762 C CG . LEU A 100 ? 0.5852 0.6693 0.6092 0.0393 0.0042 -0.2114 100 LEU A CG 763 C CD1 . LEU A 100 ? 0.5862 0.6910 0.6046 0.0474 0.0064 -0.2146 100 LEU A CD1 764 C CD2 . LEU A 100 ? 0.5792 0.6699 0.6098 0.0302 0.0104 -0.2084 100 LEU A CD2 765 N N . SER A 101 ? 0.6095 0.6407 0.6253 0.0444 -0.0231 -0.2178 101 SER A N 766 C CA . SER A 101 ? 0.6152 0.6408 0.6366 0.0413 -0.0307 -0.2177 101 SER A CA 767 C C . SER A 101 ? 0.6060 0.6437 0.6515 0.0309 -0.0290 -0.2099 101 SER A C 768 O O . SER A 101 ? 0.6119 0.6473 0.6692 0.0236 -0.0345 -0.2051 101 SER A O 769 C CB . SER A 101 ? 0.6399 0.6439 0.6519 0.0458 -0.0483 -0.2241 101 SER A CB 770 O OG . SER A 101 ? 0.6399 0.6444 0.6602 0.0423 -0.0578 -0.2241 101 SER A OG 771 N N . ALA A 102 ? 0.5988 0.6484 0.6487 0.0314 -0.0213 -0.2077 102 ALA A N 772 C CA . ALA A 102 ? 0.5931 0.6613 0.6623 0.0273 -0.0161 -0.2010 102 ALA A CA 773 C C . ALA A 102 ? 0.5998 0.6773 0.6751 0.0332 -0.0184 -0.2009 102 ALA A C 774 O O . ALA A 102 ? 0.6086 0.6758 0.6669 0.0412 -0.0145 -0.2043 102 ALA A O 775 C CB . ALA A 102 ? 0.5857 0.6595 0.6487 0.0280 -0.0030 -0.2001 102 ALA A CB 776 N N . GLY A 103 ? 0.6009 0.6983 0.7002 0.0289 -0.0254 -0.1959 103 GLY A N 777 C CA . GLY A 103 ? 0.6057 0.7220 0.7150 0.0379 -0.0280 -0.1954 103 GLY A CA 778 C C . GLY A 103 ? 0.6024 0.7593 0.7464 0.0316 -0.0298 -0.1864 103 GLY A C 779 O O . GLY A 103 ? 0.5949 0.7676 0.7528 0.0216 -0.0223 -0.1778 103 GLY A O 780 N N . CYS A 104 ? 0.6091 0.7868 0.7669 0.0380 -0.0396 -0.1869 104 CYS A N 781 C CA . CYS A 104 ? 0.6076 0.8365 0.8044 0.0316 -0.0429 -0.1775 104 CYS A CA 782 C C . CYS A 104 ? 0.6219 0.8629 0.8287 0.0360 -0.0618 -0.1818 104 CYS A C 783 O O . CYS A 104 ? 0.6322 0.8507 0.8134 0.0545 -0.0654 -0.1906 104 CYS A O 784 C CB . CYS A 104 ? 0.5996 0.8647 0.8041 0.0478 -0.0256 -0.1726 104 CYS A CB 785 S SG . CYS A 104 ? 0.6130 0.8533 0.7808 0.0814 -0.0197 -0.1843 104 CYS A SG 786 N N . GLU A 105 ? 0.6284 0.9031 0.8709 0.0171 -0.0751 -0.1748 105 GLU A N 787 C CA . GLU A 105 ? 0.6451 0.9390 0.9018 0.0191 -0.0965 -0.1791 105 GLU A CA 788 C C . GLU A 105 ? 0.6413 1.0093 0.9384 0.0268 -0.0936 -0.1702 105 GLU A C 789 O O . GLU A 105 ? 0.6345 1.0483 0.9660 0.0112 -0.0845 -0.1563 105 GLU A O 790 C CB . GLU A 105 ? 0.6617 0.9391 0.9287 -0.0091 -0.1194 -0.1797 105 GLU A CB 791 N N . MET A 106 ? 0.6517 1.0342 0.9434 0.0527 -0.1007 -0.1771 106 MET A N 792 C CA . MET A 106 ? 0.6511 1.1088 0.9785 0.0688 -0.0980 -0.1705 106 MET A CA 793 C C . MET A 106 ? 0.6583 1.1714 1.0316 0.0507 -0.1218 -0.1661 106 MET A C 794 O O . MET A 106 ? 0.6738 1.1549 1.0377 0.0376 -0.1451 -0.1741 106 MET A O 795 C CB . MET A 106 ? 0.6637 1.1080 0.9587 0.1114 -0.0938 -0.1796 106 MET A CB 796 C CG . MET A 106 ? 0.6711 1.0596 0.9205 0.1272 -0.0734 -0.1842 106 MET A CG 797 S SD . MET A 106 ? 0.6631 1.0820 0.9261 0.1249 -0.0465 -0.1749 106 MET A SD 798 C CE . MET A 106 ? 0.6729 1.1696 0.9597 0.1623 -0.0408 -0.1720 106 MET A CE 799 N N . TYR A 107 ? 0.6522 1.2515 1.0747 0.0501 -0.1162 -0.1536 107 TYR A N 800 C CA . TYR A 107 ? 0.6593 1.3272 1.1351 0.0290 -0.1384 -0.1467 107 TYR A CA 801 C C . TYR A 107 ? 0.6566 1.4164 1.1663 0.0600 -0.1336 -0.1421 107 TYR A C 802 O O . TYR A 107 ? 0.6634 1.4879 1.2152 0.0533 -0.1543 -0.1395 107 TYR A O 803 C CB . TYR A 107 ? 0.6569 1.3505 1.1730 -0.0198 -0.1385 -0.1292 107 TYR A CB 804 C CG . TYR A 107 ? 0.6691 1.2733 1.1519 -0.0479 -0.1454 -0.1335 107 TYR A CG 805 C CD1 . TYR A 107 ? 0.6605 1.2164 1.1110 -0.0453 -0.1220 -0.1314 107 TYR A CD1 806 C CD2 . TYR A 107 ? 0.6968 1.2657 1.1785 -0.0747 -0.1770 -0.1406 107 TYR A CD2 807 C CE1 . TYR A 107 ? 0.6748 1.1540 1.0948 -0.0661 -0.1286 -0.1355 107 TYR A CE1 808 C CE2 . TYR A 107 ? 0.7138 1.1996 1.1606 -0.0946 -0.1840 -0.1459 107 TYR A CE2 809 C CZ . TYR A 107 ? 0.7030 1.1468 1.1203 -0.0890 -0.1589 -0.1428 107 TYR A CZ 810 O OH . TYR A 107 ? 0.7199 1.0864 1.1026 -0.1035 -0.1658 -0.1483 107 TYR A OH 811 N N . GLY A 109 ? 0.6295 1.6602 1.2794 0.0678 -0.1237 -0.1092 109 GLY A N 812 C CA . GLY A 109 ? 0.6238 1.7469 1.2984 0.1039 -0.0997 -0.1003 109 GLY A CA 813 C C . GLY A 109 ? 0.6154 1.7098 1.2592 0.1148 -0.0656 -0.0955 109 GLY A C 814 O O . GLY A 109 ? 0.6058 1.7620 1.2860 0.0916 -0.0471 -0.0751 109 GLY A O 815 N N . ASN A 110 ? 0.6223 1.6231 1.1980 0.1487 -0.0584 -0.1135 110 ASN A N 816 C CA . ASN A 110 ? 0.6209 1.5818 1.1576 0.1633 -0.0301 -0.1138 110 ASN A CA 817 C C . ASN A 110 ? 0.6058 1.5465 1.1521 0.1137 -0.0202 -0.0990 110 ASN A C 818 O O . ASN A 110 ? 0.6025 1.5913 1.1639 0.1109 0.0033 -0.0840 110 ASN A O 819 C CB . ASN A 110 ? 0.6302 1.6732 1.1773 0.2094 -0.0079 -0.1099 110 ASN A CB 820 C CG . ASN A 110 ? 0.6424 1.6217 1.1283 0.2420 0.0140 -0.1204 110 ASN A CG 821 O OD1 . ASN A 110 ? 0.6397 1.5148 1.0760 0.2326 0.0115 -0.1314 110 ASN A OD1 822 N ND2 . ASN A 110 ? 0.6568 1.7023 1.1458 0.2814 0.0348 -0.1176 110 ASN A ND2 823 N N . ALA A 111 ? 0.6020 1.4704 1.1355 0.0778 -0.0389 -0.1032 111 ALA A N 824 C CA . ALA A 111 ? 0.5934 1.4266 1.1283 0.0329 -0.0348 -0.0912 111 ALA A CA 825 C C . ALA A 111 ? 0.5946 1.3146 1.0786 0.0242 -0.0475 -0.1074 111 ALA A C 826 O O . ALA A 111 ? 0.6020 1.2857 1.0682 0.0345 -0.0675 -0.1226 111 ALA A O 827 C CB . ALA A 111 ? 0.5962 1.4917 1.1921 -0.0150 -0.0488 -0.0713 111 ALA A CB 828 N N . SER A 112 ? 0.5884 1.2575 1.0483 0.0074 -0.0356 -0.1033 112 SER A N 829 C CA . SER A 112 ? 0.5881 1.1587 1.0000 0.0029 -0.0439 -0.1178 112 SER A CA 830 C C . SER A 112 ? 0.5894 1.1222 0.9947 -0.0296 -0.0401 -0.1077 112 SER A C 831 O O . SER A 112 ? 0.5899 1.1664 1.0224 -0.0487 -0.0283 -0.0879 112 SER A O 832 C CB . SER A 112 ? 0.5862 1.1119 0.9488 0.0418 -0.0311 -0.1337 112 SER A CB 833 O OG . SER A 112 ? 0.5799 1.1313 0.9374 0.0578 -0.0065 -0.1276 112 SER A OG 834 N N . GLU A 113 ? 0.5927 1.0458 0.9601 -0.0343 -0.0500 -0.1202 113 GLU A N 835 C CA . GLU A 113 ? 0.5980 1.0049 0.9484 -0.0555 -0.0466 -0.1141 113 GLU A CA 836 C C . GLU A 113 ? 0.5907 0.9272 0.8906 -0.0371 -0.0434 -0.1312 113 GLU A C 837 O O . GLU A 113 ? 0.5968 0.8955 0.8760 -0.0293 -0.0577 -0.1462 113 GLU A O 838 C CB . GLU A 113 ? 0.6226 1.0114 0.9900 -0.0926 -0.0703 -0.1073 113 GLU A CB 839 C CG . GLU A 113 ? 0.6480 1.0059 1.0077 -0.1173 -0.0657 -0.0929 113 GLU A CG 840 C CD . GLU A 113 ? 0.6967 1.0049 1.0539 -0.1484 -0.0936 -0.0926 113 GLU A CD 841 O OE1 . GLU A 113 ? 0.7133 1.0506 1.1048 -0.1724 -0.1129 -0.0867 113 GLU A OE1 842 O OE2 . GLU A 113 ? 0.7155 0.9551 1.0352 -0.1479 -0.0977 -0.0989 113 GLU A OE2 843 N N . SER A 114 ? 0.5787 0.9028 0.8593 -0.0303 -0.0246 -0.1281 114 SER A N 844 C CA . SER A 114 ? 0.5707 0.8403 0.8088 -0.0150 -0.0199 -0.1422 114 SER A CA 845 C C . SER A 114 ? 0.5792 0.8004 0.7999 -0.0311 -0.0273 -0.1418 114 SER A C 846 O O . SER A 114 ? 0.5945 0.8173 0.8310 -0.0541 -0.0336 -0.1288 114 SER A O 847 C CB . SER A 114 ? 0.5624 0.8449 0.7861 0.0043 0.0013 -0.1423 114 SER A CB 848 O OG . SER A 114 ? 0.5624 0.8804 0.7935 0.0261 0.0067 -0.1457 114 SER A OG 849 N N . PHE A 115 ? 0.5732 0.7518 0.7604 -0.0185 -0.0268 -0.1553 115 PHE A N 850 C CA . PHE A 115 ? 0.5832 0.7176 0.7495 -0.0254 -0.0340 -0.1580 115 PHE A CA 851 C C . PHE A 115 ? 0.5715 0.6829 0.7074 -0.0088 -0.0248 -0.1691 115 PHE A C 852 O O . PHE A 115 ? 0.5614 0.6747 0.6873 0.0044 -0.0203 -0.1779 115 PHE A O 853 C CB . PHE A 115 ? 0.6055 0.7116 0.7687 -0.0332 -0.0566 -0.1652 115 PHE A CB 854 C CG . PHE A 115 ? 0.6009 0.7021 0.7522 -0.0177 -0.0623 -0.1793 115 PHE A CG 855 C CD1 . PHE A 115 ? 0.5975 0.7303 0.7696 -0.0162 -0.0676 -0.1787 115 PHE A CD1 856 C CD2 . PHE A 115 ? 0.6051 0.6736 0.7238 -0.0037 -0.0623 -0.1917 115 PHE A CD2 857 C CE1 . PHE A 115 ? 0.5995 0.7237 0.7557 -0.0004 -0.0736 -0.1901 115 PHE A CE1 858 C CE2 . PHE A 115 ? 0.6111 0.6746 0.7155 0.0094 -0.0663 -0.2014 115 PHE A CE2 859 C CZ . PHE A 115 ? 0.6081 0.6953 0.7289 0.0113 -0.0725 -0.2006 115 PHE A CZ 860 N N . LEU A 116 ? 0.5762 0.6663 0.6973 -0.0105 -0.0232 -0.1673 116 LEU A N 861 C CA . LEU A 116 ? 0.5696 0.6431 0.6655 0.0025 -0.0177 -0.1774 116 LEU A CA 862 C C . LEU A 116 ? 0.5888 0.6303 0.6681 0.0032 -0.0280 -0.1799 116 LEU A C 863 O O . LEU A 116 ? 0.6012 0.6346 0.6781 -0.0011 -0.0278 -0.1711 116 LEU A O 864 C CB . LEU A 116 ? 0.5586 0.6497 0.6509 0.0073 -0.0022 -0.1741 116 LEU A CB 865 C CG . LEU A 116 ? 0.5510 0.6388 0.6252 0.0175 0.0042 -0.1849 116 LEU A CG 866 C CD1 . LEU A 116 ? 0.5461 0.6509 0.6179 0.0216 0.0159 -0.1840 116 LEU A CD1 867 C CD2 . LEU A 116 ? 0.5598 0.6340 0.6189 0.0215 0.0012 -0.1891 116 LEU A CD2 868 N N . HIS A 117 ? 0.5954 0.6176 0.6593 0.0118 -0.0370 -0.1916 117 HIS A N 869 C CA . HIS A 117 ? 0.6199 0.6100 0.6626 0.0194 -0.0482 -0.1972 117 HIS A CA 870 C C . HIS A 117 ? 0.6115 0.6083 0.6359 0.0367 -0.0396 -0.2056 117 HIS A C 871 O O . HIS A 117 ? 0.5959 0.6104 0.6189 0.0410 -0.0314 -0.2107 117 HIS A O 872 C CB . HIS A 117 ? 0.6458 0.6104 0.6805 0.0196 -0.0667 -0.2055 117 HIS A CB 873 C CG . HIS A 117 ? 0.6569 0.6193 0.7134 -0.0008 -0.0787 -0.1971 117 HIS A CG 874 N ND1 . HIS A 117 ? 0.6663 0.6245 0.7360 -0.0181 -0.0807 -0.1825 117 HIS A ND1 875 C CD2 . HIS A 117 ? 0.6603 0.6290 0.7291 -0.0081 -0.0899 -0.1999 117 HIS A CD2 876 C CE1 . HIS A 117 ? 0.6778 0.6440 0.7707 -0.0378 -0.0917 -0.1758 117 HIS A CE1 877 N NE2 . HIS A 117 ? 0.6689 0.6425 0.7625 -0.0312 -0.0984 -0.1872 117 HIS A NE2 878 N N . VAL A 118 ? 0.6270 0.6108 0.6375 0.0460 -0.0420 -0.2056 118 VAL A N 879 C CA . VAL A 118 ? 0.6212 0.6210 0.6183 0.0634 -0.0348 -0.2126 118 VAL A CA 880 C C . VAL A 118 ? 0.6574 0.6302 0.6286 0.0840 -0.0472 -0.2217 118 VAL A C 881 O O . VAL A 118 ? 0.6905 0.6247 0.6499 0.0854 -0.0609 -0.2195 118 VAL A O 882 C CB . VAL A 118 ? 0.6073 0.6278 0.6099 0.0627 -0.0252 -0.2057 118 VAL A CB 883 C CG1 . VAL A 118 ? 0.5993 0.6477 0.5948 0.0775 -0.0189 -0.2127 118 VAL A CG1 884 C CG2 . VAL A 118 ? 0.5822 0.6240 0.6034 0.0468 -0.0145 -0.1991 118 VAL A CG2 885 N N . ALA A 119 ? 0.6559 0.6480 0.6158 0.1006 -0.0423 -0.2312 119 ALA A N 886 C CA . ALA A 119 ? 0.6944 0.6683 0.6258 0.1275 -0.0519 -0.2422 119 ALA A CA 887 C C . ALA A 119 ? 0.6913 0.7036 0.6182 0.1483 -0.0421 -0.2449 119 ALA A C 888 O O . ALA A 119 ? 0.6592 0.7199 0.6036 0.1408 -0.0268 -0.2414 119 ALA A O 889 C CB . ALA A 119 ? 0.7065 0.6736 0.6239 0.1345 -0.0561 -0.2517 119 ALA A CB 890 N N . PHE A 120 ? 0.7299 0.7198 0.6327 0.1744 -0.0526 -0.2509 120 PHE A N 891 C CA . PHE A 120 ? 0.7314 0.7624 0.6295 0.2000 -0.0457 -0.2543 120 PHE A CA 892 C C . PHE A 120 ? 0.7736 0.7982 0.6394 0.2372 -0.0521 -0.2686 120 PHE A C 893 O O . PHE A 120 ? 0.8259 0.7914 0.6596 0.2563 -0.0705 -0.2764 120 PHE A O 894 C CB . PHE A 120 ? 0.7451 0.7614 0.6404 0.2053 -0.0518 -0.2480 120 PHE A CB 895 C CG . PHE A 120 ? 0.7465 0.8093 0.6390 0.2337 -0.0471 -0.2516 120 PHE A CG 896 C CD1 . PHE A 120 ? 0.7019 0.8300 0.6236 0.2214 -0.0331 -0.2459 120 PHE A CD1 897 C CD2 . PHE A 120 ? 0.7988 0.8396 0.6579 0.2740 -0.0589 -0.2613 120 PHE A CD2 898 C CE1 . PHE A 120 ? 0.7066 0.8867 0.6305 0.2462 -0.0304 -0.2488 120 PHE A CE1 899 C CE2 . PHE A 120 ? 0.8057 0.8981 0.6643 0.3042 -0.0549 -0.2646 120 PHE A CE2 900 C CZ . PHE A 120 ? 0.7566 0.9234 0.6507 0.2889 -0.0404 -0.2577 120 PHE A CZ 901 N N . GLN A 121 ? 0.7553 0.8404 0.6277 0.2472 -0.0370 -0.2713 121 GLN A N 902 C CA . GLN A 121 ? 0.7911 0.8865 0.6337 0.2845 -0.0377 -0.2842 121 GLN A CA 903 C C . GLN A 121 ? 0.8234 0.8610 0.6374 0.2872 -0.0512 -0.2938 121 GLN A C 904 O O . GLN A 121 ? 0.8784 0.8821 0.6526 0.3222 -0.0644 -0.3084 121 GLN A O 905 C CB . GLN A 121 ? 0.8337 0.9267 0.6518 0.3274 -0.0462 -0.2929 121 GLN A CB 906 C CG . GLN A 121 ? 0.8081 0.9638 0.6535 0.3289 -0.0358 -0.2847 121 GLN A CG 907 C CD . GLN A 121 ? 0.7752 1.0285 0.6480 0.3275 -0.0139 -0.2803 121 GLN A CD 908 O OE1 . GLN A 121 ? 0.7432 1.0204 0.6354 0.2976 -0.0014 -0.2732 121 GLN A OE1 909 N NE2 . GLN A 121 ? 0.7848 1.0961 0.6598 0.3592 -0.0101 -0.2831 121 GLN A NE2 910 N N . GLY A 122 ? 0.7932 0.8194 0.6256 0.2522 -0.0494 -0.2866 122 GLY A N 911 C CA . GLY A 122 ? 0.8201 0.7991 0.6308 0.2503 -0.0632 -0.2947 122 GLY A CA 912 C C . GLY A 122 ? 0.8537 0.7569 0.6530 0.2403 -0.0882 -0.2979 122 GLY A C 913 O O . GLY A 122 ? 0.8800 0.7429 0.6641 0.2352 -0.1037 -0.3051 122 GLY A O 914 N N . LYS A 123 ? 0.8574 0.7422 0.6638 0.2360 -0.0931 -0.2915 123 LYS A N 915 C CA . LYS A 123 ? 0.8939 0.7076 0.6907 0.2218 -0.1159 -0.2899 123 LYS A CA 916 C C . LYS A 123 ? 0.8509 0.6758 0.6879 0.1822 -0.1087 -0.2710 123 LYS A C 917 O O . LYS A 123 ? 0.8123 0.6808 0.6717 0.1773 -0.0917 -0.2612 123 LYS A O 918 C CB . LYS A 123 ? 0.9521 0.7209 0.7129 0.2527 -0.1308 -0.2967 123 LYS A CB 919 C CG . LYS A 123 ? 1.0106 0.6929 0.7514 0.2389 -0.1582 -0.2953 123 LYS A CG 920 C CD . LYS A 123 ? 1.0762 0.7099 0.7781 0.2707 -0.1721 -0.2995 123 LYS A CD 921 C CE . LYS A 123 ? 1.1522 0.6851 0.8225 0.2589 -0.2041 -0.3002 123 LYS A CE 922 N NZ . LYS A 123 ? 1.1997 0.6849 0.8352 0.2709 -0.2259 -0.3211 123 LYS A NZ 923 N N . TYR A 124 ? 0.8612 0.6493 0.7063 0.1552 -0.1226 -0.2666 124 TYR A N 924 C CA . TYR A 124 ? 0.8247 0.6268 0.7069 0.1193 -0.1160 -0.2488 124 TYR A CA 925 C C . TYR A 124 ? 0.8478 0.6228 0.7270 0.1138 -0.1205 -0.2364 124 TYR A C 926 O O . TYR A 124 ? 0.9084 0.6214 0.7654 0.1113 -0.1420 -0.2360 124 TYR A O 927 C CB . TYR A 124 ? 0.8335 0.6131 0.7261 0.0948 -0.1309 -0.2484 124 TYR A CB 928 C CG . TYR A 124 ? 0.8079 0.5988 0.7366 0.0595 -0.1281 -0.2298 124 TYR A CG 929 C CD1 . TYR A 124 ? 0.7553 0.6016 0.7159 0.0486 -0.1052 -0.2191 124 TYR A CD1 930 C CD2 . TYR A 124 ? 0.8428 0.5901 0.7726 0.0368 -0.1490 -0.2229 124 TYR A CD2 931 C CE1 . TYR A 124 ? 0.7326 0.5954 0.7240 0.0213 -0.1009 -0.2025 124 TYR A CE1 932 C CE2 . TYR A 124 ? 0.8270 0.5960 0.7929 0.0044 -0.1442 -0.2036 124 TYR A CE2 933 C CZ . TYR A 124 ? 0.7689 0.5984 0.7650 -0.0005 -0.1190 -0.1939 124 TYR A CZ 934 O OH . TYR A 124 ? 0.7485 0.6048 0.7777 -0.0274 -0.1126 -0.1753 124 TYR A OH 935 N N . VAL A 125 ? 0.8083 0.6254 0.7064 0.1113 -0.1017 -0.2258 125 VAL A N 936 C CA . VAL A 125 ? 0.8306 0.6270 0.7206 0.1119 -0.1040 -0.2135 125 VAL A CA 937 C C . VAL A 125 ? 0.8031 0.6199 0.7219 0.0820 -0.0930 -0.1933 125 VAL A C 938 O O . VAL A 125 ? 0.8365 0.6199 0.7468 0.0727 -0.1000 -0.1791 125 VAL A O 939 C CB . VAL A 125 ? 0.8286 0.6507 0.7040 0.1441 -0.0959 -0.2192 125 VAL A CB 940 C CG1 . VAL A 125 ? 0.8796 0.6700 0.7168 0.1804 -0.1100 -0.2365 125 VAL A CG1 941 C CG2 . VAL A 125 ? 0.7638 0.6600 0.6669 0.1423 -0.0738 -0.2209 125 VAL A CG2 942 N N . VAL A 126 ? 0.7484 0.6181 0.6974 0.0691 -0.0758 -0.1916 126 VAL A N 943 C CA . VAL A 126 ? 0.7221 0.6196 0.6947 0.0487 -0.0627 -0.1752 126 VAL A CA 944 C C . VAL A 126 ? 0.6908 0.6157 0.6928 0.0278 -0.0562 -0.1727 126 VAL A C 945 O O . VAL A 126 ? 0.6746 0.6111 0.6805 0.0320 -0.0561 -0.1847 126 VAL A O 946 C CB . VAL A 126 ? 0.6934 0.6312 0.6672 0.0614 -0.0472 -0.1754 126 VAL A CB 947 C CG1 . VAL A 126 ? 0.6655 0.6345 0.6594 0.0444 -0.0331 -0.1627 126 VAL A CG1 948 C CG2 . VAL A 126 ? 0.7273 0.6421 0.6744 0.0818 -0.0544 -0.1738 126 VAL A CG2 949 N N . ARG A 127 ? 0.6877 0.6242 0.7080 0.0075 -0.0508 -0.1558 127 ARG A N 950 C CA . ARG A 127 ? 0.6564 0.6299 0.7061 -0.0075 -0.0419 -0.1515 127 ARG A CA 951 C C . ARG A 127 ? 0.6444 0.6501 0.7057 -0.0142 -0.0256 -0.1362 127 ARG A C 952 O O . ARG A 127 ? 0.6677 0.6597 0.7169 -0.0154 -0.0249 -0.1238 127 ARG A O 953 C CB . ARG A 127 ? 0.6767 0.6348 0.7409 -0.0275 -0.0569 -0.1466 127 ARG A CB 954 C CG . ARG A 127 ? 0.7282 0.6389 0.7809 -0.0420 -0.0736 -0.1347 127 ARG A CG 955 C CD . ARG A 127 ? 0.7346 0.6639 0.8058 -0.0652 -0.0653 -0.1090 127 ARG A CD 956 N NE . ARG A 127 ? 0.7410 0.6843 0.8427 -0.0941 -0.0737 -0.0980 127 ARG A NE 957 C CZ . ARG A 127 ? 0.7891 0.6957 0.8910 -0.1204 -0.0915 -0.0840 127 ARG A CZ 958 N NH1 . ARG A 127 ? 0.8408 0.6851 0.9086 -0.1186 -0.1034 -0.0795 127 ARG A NH1 959 N NH2 . ARG A 127 ? 0.7894 0.7210 0.9255 -0.1489 -0.0991 -0.0739 127 ARG A NH2 960 N N . PHE A 128 ? 0.6145 0.6603 0.6943 -0.0152 -0.0130 -0.1373 128 PHE A N 961 C CA . PHE A 128 ? 0.6080 0.6878 0.6974 -0.0188 0.0023 -0.1240 128 PHE A CA 962 C C . PHE A 128 ? 0.6206 0.7180 0.7359 -0.0398 0.0015 -0.1062 128 PHE A C 963 O O . PHE A 128 ? 0.6080 0.7263 0.7449 -0.0445 -0.0005 -0.1097 128 PHE A O 964 C CB . PHE A 128 ? 0.5787 0.6886 0.6700 -0.0059 0.0147 -0.1354 128 PHE A CB 965 C CG . PHE A 128 ? 0.5762 0.7162 0.6661 -0.0013 0.0300 -0.1266 128 PHE A CG 966 C CD1 . PHE A 128 ? 0.5784 0.7144 0.6458 0.0092 0.0347 -0.1290 128 PHE A CD1 967 C CD2 . PHE A 128 ? 0.5725 0.7488 0.6822 -0.0051 0.0393 -0.1166 128 PHE A CD2 968 C CE1 . PHE A 128 ? 0.5812 0.7427 0.6413 0.0161 0.0477 -0.1225 128 PHE A CE1 969 C CE2 . PHE A 128 ? 0.5783 0.7844 0.6818 0.0037 0.0546 -0.1095 128 PHE A CE2 970 C CZ . PHE A 128 ? 0.5806 0.7760 0.6568 0.0145 0.0584 -0.1130 128 PHE A CZ 971 N N . TRP A 129 ? 0.6510 0.7424 0.7645 -0.0530 0.0028 -0.0858 129 TRP A N 972 C CA . TRP A 129 ? 0.6708 0.7813 0.8115 -0.0793 0.0012 -0.0647 129 TRP A CA 973 C C . TRP A 129 ? 0.6728 0.8303 0.8225 -0.0828 0.0218 -0.0435 129 TRP A C 974 O O . TRP A 129 ? 0.7009 0.8431 0.8325 -0.0870 0.0259 -0.0271 129 TRP A O 975 C CB . TRP A 129 ? 0.7180 0.7738 0.8489 -0.0995 -0.0189 -0.0548 129 TRP A CB 976 C CG . TRP A 129 ? 0.7426 0.8119 0.9053 -0.1330 -0.0280 -0.0368 129 TRP A CG 977 C CD1 . TRP A 129 ? 0.7882 0.8423 0.9544 -0.1623 -0.0329 -0.0098 129 TRP A CD1 978 C CD2 . TRP A 129 ? 0.7216 0.8242 0.9178 -0.1427 -0.0349 -0.0434 129 TRP A CD2 979 N NE1 . TRP A 129 ? 0.7946 0.8740 0.9981 -0.1929 -0.0426 0.0009 129 TRP A NE1 980 C CE2 . TRP A 129 ? 0.7543 0.8660 0.9773 -0.1797 -0.0444 -0.0202 129 TRP A CE2 981 C CE3 . TRP A 129 ? 0.6811 0.8059 0.8860 -0.1243 -0.0349 -0.0653 129 TRP A CE3 982 C CZ2 . TRP A 129 ? 0.7476 0.8966 1.0093 -0.1979 -0.0548 -0.0200 129 TRP A CZ2 983 C CZ3 . TRP A 129 ? 0.6766 0.8335 0.9152 -0.1387 -0.0447 -0.0651 129 TRP A CZ3 984 C CH2 . TRP A 129 ? 0.7086 0.8806 0.9770 -0.1748 -0.0551 -0.0434 129 TRP A CH2 985 N N . GLY A 130 ? 0.6476 0.8622 0.8219 -0.0779 0.0346 -0.0439 130 GLY A N 986 C CA . GLY A 130 ? 0.6490 0.9181 0.8315 -0.0758 0.0562 -0.0256 130 GLY A CA 987 C C . GLY A 130 ? 0.6362 0.9117 0.7895 -0.0456 0.0704 -0.0385 130 GLY A C 988 O O . GLY A 130 ? 0.6143 0.9127 0.7687 -0.0254 0.0765 -0.0552 130 GLY A O 989 N N . THR A 131 ? 0.6556 0.9065 0.7797 -0.0422 0.0732 -0.0311 131 THR A N 990 C CA . THR A 131 ? 0.6502 0.9062 0.7440 -0.0159 0.0837 -0.0425 131 THR A CA 991 C C . THR A 131 ? 0.6517 0.8580 0.7160 -0.0060 0.0713 -0.0582 131 THR A C 992 O O . THR A 131 ? 0.6482 0.8561 0.6892 0.0135 0.0752 -0.0717 131 THR A O 993 C CB . THR A 131 ? 0.6761 0.9643 0.7581 -0.0140 0.1015 -0.0190 131 THR A CB 994 O OG1 . THR A 131 ? 0.7070 0.9694 0.7853 -0.0365 0.0964 0.0061 131 THR A OG1 995 C CG2 . THR A 131 ? 0.6735 1.0278 0.7817 -0.0134 0.1186 -0.0076 131 THR A CG2 996 N N . SER A 132 ? 0.6595 0.8239 0.7245 -0.0184 0.0551 -0.0574 132 SER A N 997 C CA . SER A 132 ? 0.6654 0.7899 0.7035 -0.0067 0.0440 -0.0689 132 SER A CA 998 C C . SER A 132 ? 0.6589 0.7483 0.7014 -0.0093 0.0268 -0.0834 132 SER A C 999 O O . SER A 132 ? 0.6519 0.7418 0.7163 -0.0223 0.0214 -0.0840 132 SER A O 1000 C CB . SER A 132 ? 0.7069 0.8090 0.7229 -0.0102 0.0428 -0.0475 132 SER A CB 1001 O OG . SER A 132 ? 0.7352 0.8209 0.7644 -0.0354 0.0376 -0.0256 132 SER A OG 1002 N N . TRP A 133 ? 0.6628 0.7267 0.6836 0.0054 0.0182 -0.0955 133 TRP A N 1003 C CA . TRP A 133 ? 0.6663 0.6971 0.6835 0.0088 0.0027 -0.1085 133 TRP A CA 1004 C C . TRP A 133 ? 0.7164 0.7000 0.7201 0.0006 -0.0109 -0.0945 133 TRP A C 1005 O O . TRP A 133 ? 0.7470 0.7185 0.7344 -0.0002 -0.0093 -0.0772 133 TRP A O 1006 C CB . TRP A 133 ? 0.6522 0.6861 0.6537 0.0301 0.0006 -0.1264 133 TRP A CB 1007 C CG . TRP A 133 ? 0.6111 0.6810 0.6219 0.0340 0.0106 -0.1400 133 TRP A CG 1008 C CD1 . TRP A 133 ? 0.6004 0.6947 0.6034 0.0407 0.0191 -0.1416 133 TRP A CD1 1009 C CD2 . TRP A 133 ? 0.5789 0.6575 0.6035 0.0314 0.0110 -0.1535 133 TRP A CD2 1010 N NE1 . TRP A 133 ? 0.5672 0.6797 0.5777 0.0408 0.0234 -0.1559 133 TRP A NE1 1011 C CE2 . TRP A 133 ? 0.5574 0.6607 0.5812 0.0351 0.0193 -0.1620 133 TRP A CE2 1012 C CE3 . TRP A 133 ? 0.5715 0.6355 0.6050 0.0268 0.0036 -0.1592 133 TRP A CE3 1013 C CZ2 . TRP A 133 ? 0.5407 0.6506 0.5717 0.0331 0.0210 -0.1739 133 TRP A CZ2 1014 C CZ3 . TRP A 133 ? 0.5486 0.6253 0.5900 0.0266 0.0067 -0.1707 133 TRP A CZ3 1015 C CH2 . TRP A 133 ? 0.5361 0.6336 0.5761 0.0291 0.0155 -0.1769 133 TRP A CH2 1016 N N . GLN A 134 ? 0.7328 0.6850 0.7388 -0.0046 -0.0259 -0.1018 134 GLN A N 1017 C CA . GLN A 134 ? 0.7928 0.6883 0.7822 -0.0141 -0.0434 -0.0909 134 GLN A CA 1018 C C . GLN A 134 ? 0.8177 0.6698 0.7856 0.0034 -0.0618 -0.1103 134 GLN A C 1019 O O . GLN A 134 ? 0.7920 0.6568 0.7702 0.0082 -0.0636 -0.1279 134 GLN A O 1020 C CB . GLN A 134 ? 0.8054 0.7009 0.8197 -0.0468 -0.0473 -0.0750 134 GLN A CB 1021 C CG . GLN A 134 ? 0.8198 0.7359 0.8432 -0.0667 -0.0349 -0.0460 134 GLN A CG 1022 C CD . GLN A 134 ? 0.8534 0.7525 0.8945 -0.1027 -0.0459 -0.0260 134 GLN A CD 1023 O OE1 . GLN A 134 ? 0.8781 0.7354 0.9172 -0.1119 -0.0674 -0.0348 134 GLN A OE1 1024 N NE2 . GLN A 134 ? 0.8586 0.7924 0.9166 -0.1240 -0.0318 0.0015 134 GLN A NE2 1025 N N . THR A 135 ? 0.8750 0.6744 0.8092 0.0154 -0.0754 -0.1066 135 THR A N 1026 C CA . THR A 135 ? 0.9138 0.6659 0.8211 0.0361 -0.0945 -0.1247 135 THR A CA 1027 C C . THR A 135 ? 0.9606 0.6616 0.8664 0.0130 -0.1147 -0.1219 135 THR A C 1028 O O . THR A 135 ? 1.0067 0.6701 0.9077 -0.0111 -0.1235 -0.1011 135 THR A O 1029 C CB . THR A 135 ? 0.9621 0.6748 0.8286 0.0655 -0.1036 -0.1248 135 THR A CB 1030 O OG1 . THR A 135 ? 1.0285 0.6822 0.8740 0.0495 -0.1155 -0.1024 135 THR A OG1 1031 C CG2 . THR A 135 ? 0.9208 0.6888 0.7917 0.0842 -0.0860 -0.1256 135 THR A CG2 1032 N N . VAL A 136 ? 0.9530 0.6546 0.8627 0.0188 -0.1225 -0.1421 136 VAL A N 1033 C CA . VAL A 136 ? 0.9963 0.6527 0.9038 -0.0005 -0.1449 -0.1451 136 VAL A CA 1034 C C . VAL A 136 ? 1.0861 0.6536 0.9452 0.0119 -0.1713 -0.1483 136 VAL A C 1035 O O . VAL A 136 ? 1.1029 0.6536 0.9291 0.0500 -0.1731 -0.1622 136 VAL A O 1036 C CB . VAL A 136 ? 0.9637 0.6443 0.8795 0.0106 -0.1461 -0.1684 136 VAL A CB 1037 C CG1 . VAL A 136 ? 1.0097 0.6466 0.9227 -0.0090 -0.1719 -0.1736 136 VAL A CG1 1038 C CG2 . VAL A 136 ? 0.8873 0.6462 0.8432 0.0029 -0.1214 -0.1659 136 VAL A CG2 1039 N N . PRO A 137 ? 1.1501 0.6605 1.0040 -0.0199 -0.1927 -0.1351 137 PRO A N 1040 C CA . PRO A 137 ? 1.2483 0.6585 1.0496 -0.0096 -0.2229 -0.1397 137 PRO A CA 1041 C C . PRO A 137 ? 1.2690 0.6530 1.0348 0.0328 -0.2360 -0.1730 137 PRO A C 1042 O O . PRO A 137 ? 1.2432 0.6499 1.0231 0.0311 -0.2391 -0.1896 137 PRO A O 1043 C CB . PRO A 137 ? 1.2954 0.6655 1.1098 -0.0583 -0.2449 -0.1261 137 PRO A CB 1044 C CG . PRO A 137 ? 1.2329 0.6821 1.1034 -0.0940 -0.2203 -0.1008 137 PRO A CG 1045 C CD . PRO A 137 ? 1.1380 0.6753 1.0344 -0.0680 -0.1905 -0.1136 137 PRO A CD 1046 N N . GLY A 138 ? 1.3171 0.6584 1.0361 0.0735 -0.2426 -0.1818 138 GLY A N 1047 C CA . GLY A 138 ? 1.3369 0.6666 1.0206 0.1221 -0.2501 -0.2124 138 GLY A CA 1048 C C . GLY A 138 ? 1.2635 0.6806 0.9644 0.1547 -0.2207 -0.2200 138 GLY A C 1049 O O . GLY A 138 ? 1.2524 0.6939 0.9419 0.1877 -0.2178 -0.2426 138 GLY A O 1050 N N . ALA A 139 ? 1.2179 0.6836 0.9456 0.1441 -0.1993 -0.2005 139 ALA A N 1051 C CA . ALA A 139 ? 1.1552 0.7007 0.8995 0.1702 -0.1745 -0.2056 139 ALA A CA 1052 C C . ALA A 139 ? 1.2043 0.7234 0.9087 0.2117 -0.1810 -0.2080 139 ALA A C 1053 O O . ALA A 139 ? 1.2786 0.7214 0.9489 0.2113 -0.1995 -0.1972 139 ALA A O 1054 C CB . ALA A 139 ? 1.0832 0.6949 0.8743 0.1391 -0.1503 -0.1864 139 ALA A CB 1055 N N . PRO A 140 ? 1.1685 0.7510 0.8766 0.2472 -0.1668 -0.2210 140 PRO A N 1056 C CA . PRO A 140 ? 1.2083 0.7802 0.8838 0.2892 -0.1721 -0.2226 140 PRO A CA 1057 C C . PRO A 140 ? 1.1953 0.7782 0.8813 0.2736 -0.1641 -0.1992 140 PRO A C 1058 O O . PRO A 140 ? 1.1258 0.7679 0.8541 0.2428 -0.1446 -0.1881 140 PRO A O 1059 C CB . PRO A 140 ? 1.1594 0.8184 0.8508 0.3214 -0.1556 -0.2398 140 PRO A CB 1060 C CG . PRO A 140 ? 1.0783 0.8014 0.8185 0.2858 -0.1358 -0.2383 140 PRO A CG 1061 C CD . PRO A 140 ? 1.0967 0.7622 0.8374 0.2505 -0.1471 -0.2337 140 PRO A CD 1062 N N . SER A 141 ? 1.2670 0.7893 0.9096 0.2978 -0.1801 -0.1922 141 SER A N 1063 C CA . SER A 141 ? 1.2737 0.7905 0.9145 0.2849 -0.1760 -0.1676 141 SER A CA 1064 C C . SER A 141 ? 1.2097 0.8197 0.8769 0.2995 -0.1563 -0.1674 141 SER A C 1065 O O . SER A 141 ? 1.2041 0.8240 0.8752 0.2858 -0.1496 -0.1480 141 SER A O 1066 C CB . SER A 141 ? 1.3819 0.7981 0.9617 0.3088 -0.2012 -0.1593 141 SER A CB 1067 O OG . SER A 141 ? 1.4131 0.8368 0.9616 0.3680 -0.2087 -0.1764 141 SER A OG 1068 N N . TRP A 142 ? 1.1649 0.8443 0.8495 0.3254 -0.1477 -0.1882 142 TRP A N 1069 C CA . TRP A 142 ? 1.1049 0.8774 0.8188 0.3342 -0.1314 -0.1895 142 TRP A CA 1070 C C . TRP A 142 ? 1.0241 0.8540 0.7861 0.2898 -0.1110 -0.1822 142 TRP A C 1071 O O . TRP A 142 ? 0.9847 0.8772 0.7674 0.2881 -0.1002 -0.1797 142 TRP A O 1072 C CB . TRP A 142 ? 1.0917 0.9258 0.8103 0.3745 -0.1290 -0.2112 142 TRP A CB 1073 C CG . TRP A 142 ? 1.0531 0.9203 0.7959 0.3638 -0.1194 -0.2258 142 TRP A CG 1074 C CD1 . TRP A 142 ? 1.0928 0.9194 0.8102 0.3836 -0.1295 -0.2403 142 TRP A CD1 1075 C CD2 . TRP A 142 ? 0.9740 0.9173 0.7652 0.3333 -0.0992 -0.2272 142 TRP A CD2 1076 N NE1 . TRP A 142 ? 1.0392 0.9157 0.7869 0.3671 -0.1155 -0.2492 142 TRP A NE1 1077 C CE2 . TRP A 142 ? 0.9671 0.9131 0.7601 0.3355 -0.0969 -0.2405 142 TRP A CE2 1078 C CE3 . TRP A 142 ? 0.9165 0.9197 0.7445 0.3053 -0.0844 -0.2190 142 TRP A CE3 1079 C CZ2 . TRP A 142 ? 0.9022 0.9078 0.7330 0.3098 -0.0796 -0.2432 142 TRP A CZ2 1080 C CZ3 . TRP A 142 ? 0.8571 0.9147 0.7218 0.2795 -0.0689 -0.2235 142 TRP A CZ3 1081 C CH2 . TRP A 142 ? 0.8488 0.9067 0.7147 0.2815 -0.0663 -0.2342 142 TRP A CH2 1082 N N . LEU A 143 ? 1.0054 0.8124 0.7826 0.2558 -0.1079 -0.1798 143 LEU A N 1083 C CA . LEU A 143 ? 0.9372 0.7934 0.7562 0.2181 -0.0898 -0.1746 143 LEU A CA 1084 C C . LEU A 143 ? 0.9367 0.7856 0.7590 0.1935 -0.0838 -0.1528 143 LEU A C 1085 O O . LEU A 143 ? 0.8851 0.7794 0.7369 0.1700 -0.0686 -0.1495 143 LEU A O 1086 C CB . LEU A 143 ? 0.9206 0.7613 0.7547 0.1949 -0.0892 -0.1803 143 LEU A CB 1087 C CG . LEU A 143 ? 0.8824 0.7702 0.7332 0.2047 -0.0821 -0.1994 143 LEU A CG 1088 C CD1 . LEU A 143 ? 0.8936 0.7438 0.7424 0.1917 -0.0893 -0.2054 143 LEU A CD1 1089 C CD2 . LEU A 143 ? 0.8167 0.7777 0.7046 0.1866 -0.0630 -0.1994 143 LEU A CD2 1090 N N . ASP A 144 ? 0.9990 0.7891 0.7873 0.2007 -0.0958 -0.1376 144 ASP A N 1091 C CA . ASP A 144 ? 1.0094 0.7883 0.7953 0.1775 -0.0896 -0.1130 144 ASP A CA 1092 C C . ASP A 144 ? 0.9657 0.8119 0.7661 0.1806 -0.0752 -0.1119 144 ASP A C 1093 O O . ASP A 144 ? 0.9365 0.8086 0.7561 0.1546 -0.0612 -0.1015 144 ASP A O 1094 C CB . ASP A 144 ? 1.0958 0.7954 0.8357 0.1878 -0.1065 -0.0953 144 ASP A CB 1095 C CG . ASP A 144 ? 1.1516 0.7727 0.8751 0.1745 -0.1235 -0.0934 144 ASP A CG 1096 O OD1 . ASP A 144 ? 1.1148 0.7460 0.8675 0.1472 -0.1197 -0.0985 144 ASP A OD1 1097 O OD2 . ASP A 144 ? 1.2326 0.7779 0.9110 0.1922 -0.1431 -0.0873 144 ASP A OD2 1098 N N . LEU A 145 ? 0.9642 0.8410 0.7551 0.2135 -0.0796 -0.1238 145 LEU A N 1099 C CA . LEU A 145 ? 0.9285 0.8692 0.7313 0.2174 -0.0706 -0.1260 145 LEU A CA 1100 C C . LEU A 145 ? 0.8582 0.8589 0.7017 0.1941 -0.0557 -0.1380 145 LEU A C 1101 O O . LEU A 145 ? 0.8389 0.8608 0.6899 0.1770 -0.0456 -0.1310 145 LEU A O 1102 C CB . LEU A 145 ? 0.9454 0.9123 0.7330 0.2573 -0.0813 -0.1365 145 LEU A CB 1103 N N . PRO A 146 ? 0.8256 0.8503 0.6907 0.1950 -0.0546 -0.1556 146 PRO A N 1104 C CA . PRO A 146 ? 0.7679 0.8403 0.6663 0.1726 -0.0421 -0.1652 146 PRO A CA 1105 C C . PRO A 146 ? 0.7518 0.8070 0.6612 0.1424 -0.0320 -0.1554 146 PRO A C 1106 O O . PRO A 146 ? 0.7177 0.8059 0.6443 0.1272 -0.0223 -0.1594 146 PRO A O 1107 C CB . PRO A 146 ? 0.7525 0.8370 0.6637 0.1793 -0.0434 -0.1801 146 PRO A CB 1108 C CG . PRO A 146 ? 0.7950 0.8695 0.6833 0.2145 -0.0557 -0.1839 146 PRO A CG 1109 C CD . PRO A 146 ? 0.8456 0.8588 0.7016 0.2205 -0.0646 -0.1676 146 PRO A CD 1110 N N . ILE A 147 ? 0.7789 0.7831 0.6779 0.1344 -0.0358 -0.1429 147 ILE A N 1111 C CA . ILE A 147 ? 0.7674 0.7625 0.6793 0.1068 -0.0267 -0.1305 147 ILE A CA 1112 C C . ILE A 147 ? 0.7751 0.7828 0.6773 0.1028 -0.0184 -0.1153 147 ILE A C 1113 O O . ILE A 147 ? 0.7481 0.7838 0.6652 0.0886 -0.0059 -0.1139 147 ILE A O 1114 C CB . ILE A 147 ? 0.8025 0.7427 0.7082 0.0953 -0.0356 -0.1202 147 ILE A CB 1115 C CG1 . ILE A 147 ? 0.7880 0.7223 0.7052 0.0963 -0.0416 -0.1374 147 ILE A CG1 1116 C CG2 . ILE A 147 ? 0.8048 0.7426 0.7231 0.0670 -0.0267 -0.1007 147 ILE A CG2 1117 C CD1 . ILE A 147 ? 0.7289 0.7086 0.6755 0.0848 -0.0297 -0.1492 147 ILE A CD1 1118 N N . LYS A 148 ? 0.8155 0.8020 0.6887 0.1190 -0.0256 -0.1045 148 LYS A N 1119 C CA . LYS A 148 ? 0.8292 0.8282 0.6857 0.1203 -0.0186 -0.0898 148 LYS A CA 1120 C C . LYS A 148 ? 0.7908 0.8442 0.6561 0.1261 -0.0123 -0.1056 148 LYS A C 1121 O O . LYS A 148 ? 0.7912 0.8631 0.6508 0.1209 -0.0023 -0.0985 148 LYS A O 1122 C CB . LYS A 148 ? 0.8851 0.8487 0.7039 0.1413 -0.0302 -0.0768 148 LYS A CB 1123 N N . VAL A 149 ? 0.7638 0.8426 0.6418 0.1362 -0.0187 -0.1267 149 VAL A N 1124 C CA . VAL A 149 ? 0.7358 0.8621 0.6233 0.1370 -0.0168 -0.1428 149 VAL A CA 1125 C C . VAL A 149 ? 0.7043 0.8434 0.6125 0.1155 -0.0053 -0.1492 149 VAL A C 1126 O O . VAL A 149 ? 0.7014 0.8604 0.6045 0.1125 -0.0007 -0.1535 149 VAL A O 1127 C CB . VAL A 149 ? 0.7211 0.8772 0.6200 0.1502 -0.0269 -0.1604 149 VAL A CB 1128 C CG1 . VAL A 149 ? 0.6966 0.8994 0.6072 0.1438 -0.0275 -0.1756 149 VAL A CG1 1129 C CG2 . VAL A 149 ? 0.7595 0.9075 0.6354 0.1782 -0.0392 -0.1555 149 VAL A CG2 1130 N N . LEU A 150 ? 0.6878 0.8121 0.6149 0.1034 -0.0024 -0.1506 150 LEU A N 1131 C CA . LEU A 150 ? 0.6597 0.7935 0.6054 0.0865 0.0066 -0.1569 150 LEU A CA 1132 C C . LEU A 150 ? 0.6694 0.7983 0.6115 0.0783 0.0179 -0.1424 150 LEU A C 1133 O O . LEU A 150 ? 0.6594 0.8046 0.6053 0.0738 0.0255 -0.1486 150 LEU A O 1134 C CB . LEU A 150 ? 0.6413 0.7630 0.6058 0.0789 0.0049 -0.1626 150 LEU A CB 1135 C CG . LEU A 150 ? 0.6276 0.7644 0.5989 0.0862 -0.0019 -0.1770 150 LEU A CG 1136 C CD1 . LEU A 150 ? 0.6302 0.7445 0.6080 0.0860 -0.0053 -0.1779 150 LEU A CD1 1137 C CD2 . LEU A 150 ? 0.5988 0.7652 0.5818 0.0766 0.0009 -0.1905 150 LEU A CD2 1138 N N . ASN A 151 ? 0.6962 0.8029 0.6296 0.0768 0.0185 -0.1224 151 ASN A N 1139 C CA . ASN A 151 ? 0.7081 0.8186 0.6412 0.0669 0.0308 -0.1038 151 ASN A CA 1140 C C . ASN A 151 ? 0.7214 0.8555 0.6329 0.0775 0.0391 -0.1008 151 ASN A C 1141 O O . ASN A 151 ? 0.7247 0.8775 0.6376 0.0736 0.0526 -0.0916 151 ASN A O 1142 C CB . ASN A 151 ? 0.7419 0.8196 0.6701 0.0576 0.0276 -0.0804 151 ASN A CB 1143 C CG . ASN A 151 ? 0.7350 0.7907 0.6854 0.0426 0.0209 -0.0821 151 ASN A CG 1144 O OD1 . ASN A 151 ? 0.7001 0.7723 0.6725 0.0373 0.0233 -0.0958 151 ASN A OD1 1145 N ND2 . ASN A 151 ? 0.7753 0.7887 0.7158 0.0365 0.0104 -0.0682 151 ASN A ND2 1146 N N . ALA A 152 ? 0.7302 0.8673 0.6212 0.0931 0.0304 -0.1093 152 ALA A N 1147 C CA . ALA A 152 ? 0.7453 0.9029 0.6108 0.1060 0.0339 -0.1113 152 ALA A CA 1148 C C . ALA A 152 ? 0.7262 0.9052 0.5966 0.1050 0.0393 -0.1299 152 ALA A C 1149 O O . ALA A 152 ? 0.7465 0.9399 0.5945 0.1150 0.0457 -0.1301 152 ALA A O 1150 C CB . ALA A 152 ? 0.7585 0.9181 0.6055 0.1222 0.0191 -0.1199 152 ALA A CB 1151 N N . ASP A 153 ? 0.6946 0.8716 0.5894 0.0951 0.0359 -0.1454 153 ASP A N 1152 C CA . ASP A 153 ? 0.6850 0.8706 0.5811 0.0940 0.0385 -0.1628 153 ASP A CA 1153 C C . ASP A 153 ? 0.6880 0.8805 0.5900 0.0929 0.0540 -0.1528 153 ASP A C 1154 O O . ASP A 153 ? 0.6717 0.8604 0.5993 0.0817 0.0576 -0.1477 153 ASP A O 1155 C CB . ASP A 153 ? 0.6578 0.8367 0.5750 0.0830 0.0299 -0.1794 153 ASP A CB 1156 C CG . ASP A 153 ? 0.6591 0.8365 0.5689 0.0817 0.0275 -0.1987 153 ASP A CG 1157 O OD1 . ASP A 153 ? 0.6821 0.8616 0.5710 0.0921 0.0332 -0.2012 153 ASP A OD1 1158 O OD2 . ASP A 153 ? 0.6461 0.8180 0.5679 0.0710 0.0196 -0.2110 153 ASP A OD2 1159 N N . GLN A 154 ? 0.7146 0.9219 0.5921 0.1064 0.0627 -0.1506 154 GLN A N 1160 C CA . GLN A 154 ? 0.7192 0.9450 0.6011 0.1106 0.0789 -0.1424 154 GLN A CA 1161 C C . GLN A 154 ? 0.7061 0.9255 0.5962 0.1122 0.0766 -0.1629 154 GLN A C 1162 O O . GLN A 154 ? 0.6974 0.9290 0.6076 0.1104 0.0858 -0.1569 154 GLN A O 1163 C CB . GLN A 154 ? 0.7554 1.0017 0.6030 0.1301 0.0894 -0.1362 154 GLN A CB 1164 N N . GLY A 155 ? 0.7103 0.9103 0.5846 0.1146 0.0628 -0.1860 155 GLY A N 1165 C CA . GLY A 155 ? 0.7093 0.8918 0.5817 0.1160 0.0579 -0.2055 155 GLY A CA 1166 C C . GLY A 155 ? 0.6765 0.8497 0.5819 0.1006 0.0567 -0.2037 155 GLY A C 1167 O O . GLY A 155 ? 0.6778 0.8485 0.5879 0.1060 0.0612 -0.2073 155 GLY A O 1168 N N . THR A 156 ? 0.6518 0.8203 0.5765 0.0848 0.0498 -0.1988 156 THR A N 1169 C CA . THR A 156 ? 0.6239 0.7829 0.5754 0.0717 0.0475 -0.1976 156 THR A CA 1170 C C . THR A 156 ? 0.6125 0.7861 0.5853 0.0706 0.0578 -0.1809 156 THR A C 1171 O O . THR A 156 ? 0.6058 0.7786 0.5907 0.0707 0.0599 -0.1834 156 THR A O 1172 C CB . THR A 156 ? 0.6081 0.7618 0.5709 0.0602 0.0380 -0.1976 156 THR A CB 1173 O OG1 . THR A 156 ? 0.6187 0.7674 0.5693 0.0570 0.0279 -0.2130 156 THR A OG1 1174 C CG2 . THR A 156 ? 0.5833 0.7282 0.5690 0.0502 0.0367 -0.1955 156 THR A CG2 1175 N N . SER A 157 ? 0.6147 0.8014 0.5909 0.0687 0.0631 -0.1630 157 SER A N 1176 C CA . SER A 157 ? 0.6084 0.8133 0.6060 0.0623 0.0721 -0.1436 157 SER A CA 1177 C C . SER A 157 ? 0.6088 0.8377 0.6115 0.0730 0.0823 -0.1456 157 SER A C 1178 O O . SER A 157 ? 0.5962 0.8355 0.6244 0.0665 0.0832 -0.1408 157 SER A O 1179 C CB . SER A 157 ? 0.6280 0.8439 0.6173 0.0609 0.0786 -0.1226 157 SER A CB 1180 O OG . SER A 157 ? 0.6281 0.8682 0.6391 0.0512 0.0885 -0.1015 157 SER A OG 1181 N N . ALA A 158 ? 0.6277 0.8649 0.6035 0.0921 0.0882 -0.1543 158 ALA A N 1182 C CA . ALA A 158 ? 0.6376 0.8957 0.6097 0.1108 0.0973 -0.1596 158 ALA A CA 1183 C C . ALA A 158 ? 0.6257 0.8634 0.6067 0.1116 0.0890 -0.1746 158 ALA A C 1184 O O . ALA A 158 ? 0.6237 0.8849 0.6229 0.1182 0.0947 -0.1703 158 ALA A O 1185 C CB . ALA A 158 ? 0.6714 0.9279 0.6026 0.1343 0.1004 -0.1722 158 ALA A CB 1186 N N . THR A 159 ? 0.6206 0.8182 0.5890 0.1046 0.0754 -0.1906 159 THR A N 1187 C CA . THR A 159 ? 0.6154 0.7862 0.5843 0.1046 0.0669 -0.2036 159 THR A CA 1188 C C . THR A 159 ? 0.5864 0.7626 0.5891 0.0894 0.0644 -0.1939 159 THR A C 1189 O O . THR A 159 ? 0.5849 0.7611 0.5957 0.0958 0.0633 -0.1966 159 THR A O 1190 C CB . THR A 159 ? 0.6272 0.7573 0.5728 0.0971 0.0538 -0.2204 159 THR A CB 1191 O OG1 . THR A 159 ? 0.6548 0.7781 0.5672 0.1101 0.0526 -0.2308 159 THR A OG1 1192 C CG2 . THR A 159 ? 0.6345 0.7317 0.5731 0.0974 0.0460 -0.2314 159 THR A CG2 1193 N N . VAL A 160 ? 0.5680 0.7463 0.5864 0.0720 0.0618 -0.1837 160 VAL A N 1194 C CA . VAL A 160 ? 0.5479 0.7268 0.5934 0.0579 0.0569 -0.1757 160 VAL A CA 1195 C C . VAL A 160 ? 0.5468 0.7612 0.6174 0.0591 0.0635 -0.1625 160 VAL A C 1196 O O . VAL A 160 ? 0.5377 0.7549 0.6253 0.0572 0.0584 -0.1634 160 VAL A O 1197 C CB . VAL A 160 ? 0.5387 0.7077 0.5889 0.0436 0.0515 -0.1681 160 VAL A CB 1198 C CG1 . VAL A 160 ? 0.5290 0.6947 0.6019 0.0309 0.0446 -0.1605 160 VAL A CG1 1199 C CG2 . VAL A 160 ? 0.5374 0.6828 0.5709 0.0424 0.0441 -0.1810 160 VAL A CG2 1200 N N . GLN A 161 ? 0.5582 0.8039 0.6310 0.0623 0.0749 -0.1494 161 GLN A N 1201 C CA . GLN A 161 ? 0.5612 0.8538 0.6615 0.0614 0.0837 -0.1335 161 GLN A CA 1202 C C . GLN A 161 ? 0.5681 0.8799 0.6702 0.0830 0.0867 -0.1434 161 GLN A C 1203 O O . GLN A 161 ? 0.5590 0.8973 0.6901 0.0793 0.0843 -0.1375 161 GLN A O 1204 C CB . GLN A 161 ? 0.5758 0.9012 0.6721 0.0630 0.0983 -0.1162 161 GLN A CB 1205 C CG . GLN A 161 ? 0.5784 0.8915 0.6803 0.0393 0.0951 -0.0983 161 GLN A CG 1206 C CD . GLN A 161 ? 0.6031 0.9431 0.6929 0.0422 0.1100 -0.0800 161 GLN A CD 1207 O OE1 . GLN A 161 ? 0.6142 1.0053 0.7208 0.0429 0.1241 -0.0631 161 GLN A OE1 1208 N NE2 . GLN A 161 ? 0.6162 0.9266 0.6766 0.0449 0.1072 -0.0821 161 GLN A NE2 1209 N N . MET A 162 ? 0.5913 0.8865 0.6599 0.1063 0.0894 -0.1594 162 MET A N 1210 C CA . MET A 162 ? 0.6119 0.9118 0.6708 0.1328 0.0901 -0.1717 162 MET A CA 1211 C C . MET A 162 ? 0.6023 0.8764 0.6709 0.1276 0.0766 -0.1792 162 MET A C 1212 O O . MET A 162 ? 0.6072 0.9052 0.6891 0.1422 0.0764 -0.1793 162 MET A O 1213 C CB . MET A 162 ? 0.6459 0.9121 0.6579 0.1555 0.0900 -0.1903 162 MET A CB 1214 C CG . MET A 162 ? 0.6862 0.9445 0.6778 0.1875 0.0886 -0.2047 162 MET A CG 1215 S SD . MET A 162 ? 0.7760 0.9915 0.7061 0.2164 0.0865 -0.2272 162 MET A SD 1216 N N . LEU A 163 ? 0.5933 0.8232 0.6546 0.1089 0.0657 -0.1847 163 LEU A N 1217 C CA . LEU A 163 ? 0.5881 0.7917 0.6535 0.1033 0.0537 -0.1904 163 LEU A CA 1218 C C . LEU A 163 ? 0.5691 0.8028 0.6724 0.0895 0.0495 -0.1782 163 LEU A C 1219 O O . LEU A 163 ? 0.5717 0.8151 0.6854 0.0982 0.0438 -0.1800 163 LEU A O 1220 C CB . LEU A 163 ? 0.5855 0.7430 0.6329 0.0878 0.0457 -0.1979 163 LEU A CB 1221 C CG . LEU A 163 ? 0.6100 0.7293 0.6203 0.0956 0.0437 -0.2118 163 LEU A CG 1222 C CD1 . LEU A 163 ? 0.6024 0.7016 0.6065 0.0760 0.0393 -0.2138 163 LEU A CD1 1223 C CD2 . LEU A 163 ? 0.6318 0.7181 0.6230 0.1071 0.0366 -0.2209 163 LEU A CD2 1224 N N . LEU A 164 ? 0.5568 0.8015 0.6779 0.0683 0.0499 -0.1662 164 LEU A N 1225 C CA . LEU A 164 ? 0.5461 0.8113 0.7005 0.0501 0.0423 -0.1548 164 LEU A CA 1226 C C . LEU A 164 ? 0.5479 0.8742 0.7339 0.0544 0.0487 -0.1426 164 LEU A C 1227 O O . LEU A 164 ? 0.5457 0.8912 0.7549 0.0519 0.0393 -0.1415 164 LEU A O 1228 C CB . LEU A 164 ? 0.5436 0.7943 0.7018 0.0273 0.0392 -0.1450 164 LEU A CB 1229 C CG . LEU A 164 ? 0.5401 0.7413 0.6747 0.0224 0.0311 -0.1551 164 LEU A CG 1230 C CD1 . LEU A 164 ? 0.5427 0.7327 0.6797 0.0058 0.0278 -0.1440 164 LEU A CD1 1231 C CD2 . LEU A 164 ? 0.5331 0.7102 0.6651 0.0223 0.0182 -0.1657 164 LEU A CD2 1232 N N . ASN A 165 ? 0.5545 0.9162 0.7412 0.0621 0.0645 -0.1333 165 ASN A N 1233 C CA . ASN A 165 ? 0.5580 0.9909 0.7767 0.0677 0.0742 -0.1194 165 ASN A CA 1234 C C . ASN A 165 ? 0.5671 1.0232 0.7836 0.1003 0.0754 -0.1309 165 ASN A C 1235 O O . ASN A 165 ? 0.5634 1.0720 0.8148 0.1015 0.0729 -0.1235 165 ASN A O 1236 C CB . ASN A 165 ? 0.5669 1.0348 0.7826 0.0697 0.0932 -0.1047 165 ASN A CB 1237 C CG . ASN A 165 ? 0.5670 1.0310 0.7965 0.0354 0.0923 -0.0846 165 ASN A CG 1238 O OD1 . ASN A 165 ? 0.5621 0.9949 0.8031 0.0107 0.0761 -0.0831 165 ASN A OD1 1239 N ND2 . ASN A 165 ? 0.5768 1.0686 0.8004 0.0357 0.1089 -0.0689 165 ASN A ND2 1240 N N . ASP A 166 ? 0.5845 1.0003 0.7590 0.1268 0.0773 -0.1489 166 ASP A N 1241 C CA . ASP A 166 ? 0.6068 1.0384 0.7682 0.1646 0.0801 -0.1598 166 ASP A CA 1242 C C . ASP A 166 ? 0.6213 0.9902 0.7520 0.1782 0.0654 -0.1785 166 ASP A C 1243 O O . ASP A 166 ? 0.6321 1.0167 0.7710 0.1963 0.0587 -0.1818 166 ASP A O 1244 C CB . ASP A 166 ? 0.6316 1.0766 0.7645 0.1917 0.0963 -0.1635 166 ASP A CB 1245 C CG . ASP A 166 ? 0.6267 1.1457 0.7893 0.1833 0.1140 -0.1414 166 ASP A CG 1246 O OD1 . ASP A 166 ? 0.6182 1.2017 0.8279 0.1719 0.1162 -0.1247 166 ASP A OD1 1247 O OD2 . ASP A 166 ? 0.6349 1.1492 0.7733 0.1871 0.1254 -0.1397 166 ASP A OD2 1248 N N . THR A 167 ? 0.6257 0.9273 0.7218 0.1690 0.0601 -0.1890 167 THR A N 1249 C CA . THR A 167 ? 0.6472 0.8859 0.7085 0.1796 0.0481 -0.2041 167 THR A CA 1250 C C . THR A 167 ? 0.6350 0.8606 0.7111 0.1660 0.0345 -0.2021 167 THR A C 1251 O O . THR A 167 ? 0.6577 0.8671 0.7202 0.1858 0.0265 -0.2084 167 THR A O 1252 C CB . THR A 167 ? 0.6597 0.8379 0.6827 0.1702 0.0464 -0.2141 167 THR A CB 1253 O OG1 . THR A 167 ? 0.6751 0.8663 0.6823 0.1832 0.0570 -0.2168 167 THR A OG1 1254 C CG2 . THR A 167 ? 0.6948 0.8089 0.6779 0.1819 0.0354 -0.2274 167 THR A CG2 1255 N N . CYS A 168 ? 0.6057 0.8348 0.7045 0.1355 0.0308 -0.1942 168 CYS A N 1256 C CA . CYS A 168 ? 0.5963 0.8134 0.7058 0.1234 0.0170 -0.1935 168 CYS A CA 1257 C C . CYS A 168 ? 0.5972 0.8552 0.7297 0.1394 0.0102 -0.1910 168 CYS A C 1258 O O . CYS A 168 ? 0.6105 0.8426 0.7268 0.1511 -0.0004 -0.1971 168 CYS A O 1259 C CB . CYS A 168 ? 0.5745 0.7947 0.7051 0.0927 0.0132 -0.1859 168 CYS A CB 1260 S SG . CYS A 168 ? 0.5824 0.7690 0.7083 0.0802 -0.0042 -0.1901 168 CYS A SG 1261 N N . PRO A 169 ? 0.5838 0.9092 0.7541 0.1397 0.0164 -0.1805 169 PRO A N 1262 C CA . PRO A 169 ? 0.5865 0.9637 0.7848 0.1549 0.0094 -0.1775 169 PRO A CA 1263 C C . PRO A 169 ? 0.6158 0.9891 0.7875 0.1976 0.0115 -0.1873 169 PRO A C 1264 O O . PRO A 169 ? 0.6287 1.0103 0.8032 0.2148 -0.0005 -0.1905 169 PRO A O 1265 C CB . PRO A 169 ? 0.5701 1.0250 0.8151 0.1417 0.0193 -0.1612 169 PRO A CB 1266 C CG . PRO A 169 ? 0.5582 0.9885 0.7997 0.1122 0.0257 -0.1547 169 PRO A CG 1267 C CD . PRO A 169 ? 0.5690 0.9309 0.7607 0.1236 0.0294 -0.1685 169 PRO A CD 1268 N N . LEU A 170 ? 0.6330 0.9900 0.7754 0.2164 0.0245 -0.1930 170 LEU A N 1269 C CA . LEU A 170 ? 0.6742 1.0162 0.7824 0.2606 0.0250 -0.2044 170 LEU A CA 1270 C C . LEU A 170 ? 0.7025 0.9628 0.7663 0.2682 0.0104 -0.2152 170 LEU A C 1271 O O . LEU A 170 ? 0.7377 0.9882 0.7823 0.3017 0.0026 -0.2213 170 LEU A O 1272 C CB . LEU A 170 ? 0.6945 1.0282 0.7742 0.2781 0.0398 -0.2103 170 LEU A CB 1273 N N . PHE A 171 ? 0.6901 0.8949 0.7376 0.2376 0.0071 -0.2160 171 PHE A N 1274 C CA . PHE A 171 ? 0.7178 0.8475 0.7240 0.2376 -0.0041 -0.2222 171 PHE A CA 1275 C C . PHE A 171 ? 0.7137 0.8513 0.7331 0.2365 -0.0178 -0.2181 171 PHE A C 1276 O O . PHE A 171 ? 0.7538 0.8553 0.7422 0.2595 -0.0276 -0.2220 171 PHE A O 1277 C CB . PHE A 171 ? 0.7076 0.7892 0.6965 0.2055 -0.0015 -0.2229 171 PHE A CB 1278 C CG . PHE A 171 ? 0.7386 0.7482 0.6862 0.2006 -0.0105 -0.2258 171 PHE A CG 1279 C CD1 . PHE A 171 ? 0.7952 0.7503 0.6968 0.2249 -0.0160 -0.2328 171 PHE A CD1 1280 C CD2 . PHE A 171 ? 0.7166 0.7115 0.6683 0.1723 -0.0136 -0.2207 171 PHE A CD2 1281 C CE1 . PHE A 171 ? 0.8301 0.7165 0.6923 0.2160 -0.0241 -0.2317 171 PHE A CE1 1282 C CE2 . PHE A 171 ? 0.7510 0.6869 0.6656 0.1659 -0.0194 -0.2200 171 PHE A CE2 1283 C CZ . PHE A 171 ? 0.8042 0.6854 0.6749 0.1853 -0.0246 -0.2240 171 PHE A CZ 1284 N N . VAL A 172 ? 0.6725 0.8529 0.7337 0.2109 -0.0203 -0.2106 172 VAL A N 1285 C CA . VAL A 172 ? 0.6670 0.8554 0.7405 0.2063 -0.0359 -0.2083 172 VAL A CA 1286 C C . VAL A 172 ? 0.6858 0.9132 0.7698 0.2393 -0.0450 -0.2090 172 VAL A C 1287 O O . VAL A 172 ? 0.7112 0.9119 0.7734 0.2532 -0.0586 -0.2113 172 VAL A O 1288 C CB . VAL A 172 ? 0.6287 0.8542 0.7440 0.1731 -0.0394 -0.2018 172 VAL A CB 1289 C CG1 . VAL A 172 ? 0.6338 0.8589 0.7539 0.1693 -0.0585 -0.2025 172 VAL A CG1 1290 C CG2 . VAL A 172 ? 0.6144 0.8033 0.7174 0.1464 -0.0313 -0.2017 172 VAL A CG2 1291 N N . ARG A 173 ? 0.6744 0.9687 0.7907 0.2535 -0.0370 -0.2061 173 ARG A N 1292 C CA . ARG A 173 ? 0.6913 1.0349 0.8200 0.2907 -0.0433 -0.2070 173 ARG A CA 1293 C C . ARG A 173 ? 0.7441 1.0196 0.8136 0.3282 -0.0494 -0.2164 173 ARG A C 1294 O O . ARG A 173 ? 0.7703 1.0537 0.8342 0.3548 -0.0634 -0.2179 173 ARG A O 1295 C CB . ARG A 173 ? 0.6800 1.1015 0.8424 0.3047 -0.0279 -0.2025 173 ARG A CB 1296 N N . GLY A 174 ? 0.7649 0.9706 0.7888 0.3287 -0.0407 -0.2221 174 GLY A N 1297 C CA . GLY A 174 ? 0.8244 0.9475 0.7848 0.3567 -0.0477 -0.2297 174 GLY A CA 1298 C C . GLY A 174 ? 0.8398 0.9036 0.7723 0.3431 -0.0612 -0.2265 174 GLY A C 1299 O O . GLY A 174 ? 0.8905 0.9143 0.7855 0.3723 -0.0730 -0.2281 174 GLY A O 1300 N N . LEU A 175 ? 0.8006 0.8586 0.7480 0.3014 -0.0591 -0.2214 175 LEU A N 1301 C CA . LEU A 175 ? 0.8119 0.8226 0.7339 0.2872 -0.0692 -0.2172 175 LEU A CA 1302 C C . LEU A 175 ? 0.8140 0.8619 0.7527 0.3024 -0.0855 -0.2152 175 LEU A C 1303 O O . LEU A 175 ? 0.8528 0.8555 0.7539 0.3133 -0.0966 -0.2129 175 LEU A O 1304 C CB . LEU A 175 ? 0.7706 0.7765 0.7063 0.2443 -0.0624 -0.2138 175 LEU A CB 1305 C CG . LEU A 175 ? 0.7705 0.7245 0.6792 0.2226 -0.0510 -0.2140 175 LEU A CG 1306 C CD1 . LEU A 175 ? 0.7217 0.6937 0.6550 0.1873 -0.0458 -0.2110 175 LEU A CD1 1307 C CD2 . LEU A 175 ? 0.8207 0.6962 0.6724 0.2268 -0.0556 -0.2111 175 LEU A CD2 1308 N N . LEU A 176 ? 0.7754 0.9062 0.7699 0.3013 -0.0876 -0.2149 176 LEU A N 1309 C CA . LEU A 176 ? 0.7741 0.9512 0.7927 0.3114 -0.1058 -0.2139 176 LEU A CA 1310 C C . LEU A 176 ? 0.8215 1.0015 0.8191 0.3600 -0.1164 -0.2163 176 LEU A C 1311 O O . LEU A 176 ? 0.8406 1.0271 0.8329 0.3737 -0.1345 -0.2159 176 LEU A O 1312 C CB . LEU A 176 ? 0.7252 0.9916 0.8124 0.2906 -0.1066 -0.2111 176 LEU A CB 1313 C CG . LEU A 176 ? 0.6873 0.9511 0.7950 0.2452 -0.1063 -0.2089 176 LEU A CG 1314 C CD1 . LEU A 176 ? 0.6492 0.9898 0.8185 0.2236 -0.1022 -0.2034 176 LEU A CD1 1315 C CD2 . LEU A 176 ? 0.6983 0.9428 0.7942 0.2368 -0.1266 -0.2112 176 LEU A CD2 1316 N N . GLU A 177 ? 0.8458 1.0194 0.8276 0.3889 -0.1063 -0.2199 177 GLU A N 1317 C CA . GLU A 177 ? 0.9025 1.0668 0.8541 0.4417 -0.1162 -0.2237 177 GLU A CA 1318 C C . GLU A 177 ? 0.9681 1.0176 0.8411 0.4547 -0.1208 -0.2241 177 GLU A C 1319 O O . GLU A 177 ? 1.0231 1.0441 0.8608 0.4903 -0.1359 -0.2239 177 GLU A O 1320 C CB . GLU A 177 ? 0.9062 1.1221 0.8752 0.4739 -0.1047 -0.2287 177 GLU A CB 1321 N N . ALA A 178 ? 0.9659 0.9510 0.8121 0.4245 -0.1088 -0.2233 178 ALA A N 1322 C CA . ALA A 178 ? 1.0274 0.9035 0.8027 0.4250 -0.1124 -0.2204 178 ALA A CA 1323 C C . ALA A 178 ? 1.0321 0.8798 0.7907 0.4050 -0.1215 -0.2108 178 ALA A C 1324 O O . ALA A 178 ? 1.0962 0.8709 0.7975 0.4196 -0.1308 -0.2049 178 ALA A O 1325 C CB . ALA A 178 ? 1.0236 0.8520 0.7824 0.3957 -0.0979 -0.2223 178 ALA A CB 1326 N N . GLY A 179 ? 0.9703 0.8727 0.7750 0.3727 -0.1193 -0.2088 179 GLY A N 1327 C CA . GLY A 179 ? 0.9722 0.8560 0.7623 0.3550 -0.1273 -0.2018 179 GLY A CA 1328 C C . GLY A 179 ? 0.9636 0.9061 0.7803 0.3722 -0.1454 -0.2035 179 GLY A C 1329 O O . GLY A 179 ? 0.9602 0.9003 0.7712 0.3578 -0.1536 -0.2005 179 GLY A O 1330 N N . LYS A 180 ? 0.9641 0.9627 0.8091 0.4043 -0.1526 -0.2089 180 LYS A N 1331 C CA . LYS A 180 ? 0.9572 1.0234 0.8343 0.4215 -0.1724 -0.2110 180 LYS A CA 1332 C C . LYS A 180 ? 1.0058 1.0245 0.8340 0.4345 -0.1897 -0.2064 180 LYS A C 1333 O O . LYS A 180 ? 0.9888 1.0396 0.8351 0.4215 -0.2034 -0.2076 180 LYS A O 1334 C CB . LYS A 180 ? 0.9702 1.0930 0.8698 0.4648 -0.1769 -0.2155 180 LYS A CB 1335 N N . SER A 181 ? 1.0721 1.0094 0.8341 0.4593 -0.1896 -0.2007 181 SER A N 1336 C CA . SER A 181 ? 1.1303 1.0108 0.8339 0.4754 -0.2039 -0.1926 181 SER A CA 1337 C C . SER A 181 ? 1.1132 0.9722 0.8041 0.4374 -0.2009 -0.1868 181 SER A C 1338 O O . SER A 181 ? 1.1261 0.9988 0.8080 0.4446 -0.2176 -0.1862 181 SER A O 1339 C CB . SER A 181 ? 1.2095 0.9923 0.8409 0.4995 -0.2009 -0.1849 181 SER A CB 1340 O OG . SER A 181 ? 1.2762 0.9986 0.8459 0.5138 -0.2135 -0.1733 181 SER A OG 1341 N N . ASP A 182 ? 1.0871 0.9158 0.7762 0.4002 -0.1805 -0.1836 182 ASP A N 1342 C CA . ASP A 182 ? 1.0741 0.8838 0.7488 0.3669 -0.1739 -0.1780 182 ASP A CA 1343 C C . ASP A 182 ? 1.0155 0.8945 0.7420 0.3474 -0.1808 -0.1882 182 ASP A C 1344 O O . ASP A 182 ? 1.0249 0.8989 0.7325 0.3409 -0.1883 -0.1872 182 ASP A O 1345 C CB . ASP A 182 ? 1.0652 0.8310 0.7275 0.3344 -0.1507 -0.1718 182 ASP A CB 1346 C CG . ASP A 182 ? 1.1325 0.8129 0.7249 0.3339 -0.1456 -0.1552 182 ASP A CG 1347 O OD1 . ASP A 182 ? 1.1800 0.8371 0.7318 0.3476 -0.1557 -0.1463 182 ASP A OD1 1348 O OD2 . ASP A 182 ? 1.1439 0.7796 0.7205 0.3177 -0.1322 -0.1502 182 ASP A OD2 1349 N N . LEU A 183 ? 0.9617 0.9012 0.7493 0.3380 -0.1786 -0.1976 183 LEU A N 1350 C CA . LEU A 183 ? 0.9131 0.9113 0.7505 0.3151 -0.1864 -0.2064 183 LEU A CA 1351 C C . LEU A 183 ? 0.9278 0.9698 0.7787 0.3340 -0.2144 -0.2123 183 LEU A C 1352 O O . LEU A 183 ? 0.9083 0.9805 0.7831 0.3156 -0.2274 -0.2197 183 LEU A O 1353 C CB . LEU A 183 ? 0.8584 0.9059 0.7545 0.2974 -0.1751 -0.2108 183 LEU A CB 1354 N N . GLU A 184 ? 0.9690 1.0107 0.8013 0.3719 -0.2259 -0.2098 184 GLU A N 1355 C CA . GLU A 184 ? 0.9883 1.0762 0.8328 0.3947 -0.2547 -0.2152 184 GLU A CA 1356 C C . GLU A 184 ? 1.0522 1.0868 0.8288 0.4177 -0.2685 -0.2102 184 GLU A C 1357 O O . GLU A 184 ? 1.0785 1.1439 0.8548 0.4426 -0.2944 -0.2143 184 GLU A O 1358 C CB . GLU A 184 ? 0.9888 1.1325 0.8674 0.4264 -0.2610 -0.2167 184 GLU A CB 1359 N N . LYS A 185 ? 1.0790 1.0380 0.7991 0.4084 -0.2515 -0.2002 185 LYS A N 1360 C CA . LYS A 185 ? 1.1445 1.0472 0.7933 0.4277 -0.2595 -0.1908 185 LYS A CA 1361 C C . LYS A 185 ? 1.1487 1.0743 0.7934 0.4224 -0.2792 -0.1991 185 LYS A C 1362 O O . LYS A 185 ? 1.1029 1.0644 0.7881 0.3938 -0.2804 -0.2104 185 LYS A O 1363 C CB . LYS A 185 ? 1.1686 0.9942 0.7652 0.4110 -0.2338 -0.1755 185 LYS A CB 1364 N N . GLN A 186 ? 0.8019 0.5378 0.8051 0.2699 -0.0819 -0.0712 186 GLN A N 1365 C CA . GLN A 186 ? 0.7728 0.5315 0.7886 0.2584 -0.0880 -0.0545 186 GLN A CA 1366 C C . GLN A 186 ? 0.7874 0.5023 0.7824 0.2452 -0.1015 -0.0405 186 GLN A C 1367 O O . GLN A 186 ? 0.8260 0.5001 0.8096 0.2581 -0.1125 -0.0388 186 GLN A O 1368 C CB . GLN A 186 ? 0.7722 0.5659 0.8188 0.2798 -0.0922 -0.0548 186 GLN A CB 1369 C CG . GLN A 186 ? 0.7517 0.5995 0.8245 0.2867 -0.0751 -0.0680 186 GLN A CG 1370 C CD . GLN A 186 ? 0.7051 0.5889 0.7822 0.2619 -0.0635 -0.0618 186 GLN A CD 1371 O OE1 . GLN A 186 ? 0.6909 0.5735 0.7640 0.2453 -0.0713 -0.0472 186 GLN A OE1 1372 N NE2 . GLN A 186 ? 0.6934 0.6050 0.7745 0.2593 -0.0440 -0.0729 186 GLN A NE2 1373 N N . GLU A 187 ? 0.7607 0.4818 0.7486 0.2197 -0.0994 -0.0310 187 GLU A N 1374 C CA . GLU A 187 ? 0.7734 0.4593 0.7429 0.2032 -0.1083 -0.0180 187 GLU A CA 1375 C C . GLU A 187 ? 0.7468 0.4578 0.7248 0.1932 -0.1119 -0.0029 187 GLU A C 1376 O O . GLU A 187 ? 0.7119 0.4635 0.7032 0.1845 -0.1038 -0.0026 187 GLU A O 1377 C CB . GLU A 187 ? 0.7696 0.4364 0.7225 0.1812 -0.1033 -0.0226 187 GLU A CB 1378 C CG . GLU A 187 ? 0.8128 0.4438 0.7516 0.1874 -0.1030 -0.0375 187 GLU A CG 1379 C CD . GLU A 187 ? 0.8707 0.4485 0.7934 0.1983 -0.1124 -0.0348 187 GLU A CD 1380 O OE1 . GLU A 187 ? 0.9001 0.4598 0.8198 0.2189 -0.1130 -0.0464 187 GLU A OE1 1381 O OE2 . GLU A 187 ? 0.8863 0.4367 0.7959 0.1868 -0.1184 -0.0213 187 GLU A OE2 1382 N N . LYS A 188 ? 0.7723 0.4543 0.7379 0.1943 -0.1239 0.0092 188 LYS A N 1383 C CA . LYS A 188 ? 0.7569 0.4581 0.7265 0.1874 -0.1299 0.0231 188 LYS A CA 1384 C C . LYS A 188 ? 0.7405 0.4348 0.6953 0.1582 -0.1245 0.0317 188 LYS A C 1385 O O . LYS A 188 ? 0.7653 0.4190 0.6981 0.1452 -0.1239 0.0338 188 LYS A O 1386 C CB . LYS A 188 ? 0.7989 0.4695 0.7563 0.2045 -0.1470 0.0325 188 LYS A CB 1387 N N . PRO A 189 ? 0.7029 0.4372 0.6704 0.1471 -0.1195 0.0354 189 PRO A N 1388 C CA . PRO A 189 ? 0.6877 0.4184 0.6430 0.1221 -0.1141 0.0425 189 PRO A CA 1389 C C . PRO A 189 ? 0.7128 0.4171 0.6479 0.1147 -0.1230 0.0570 189 PRO A C 1390 O O . PRO A 189 ? 0.7290 0.4347 0.6646 0.1286 -0.1349 0.0632 189 PRO A O 1391 C CB . PRO A 189 ? 0.6453 0.4228 0.6180 0.1169 -0.1063 0.0410 189 PRO A CB 1392 C CG . PRO A 189 ? 0.6443 0.4494 0.6373 0.1353 -0.1110 0.0383 189 PRO A CG 1393 C CD . PRO A 189 ? 0.6747 0.4591 0.6687 0.1560 -0.1161 0.0308 189 PRO A CD 1394 N N . VAL A 190 ? 0.7221 0.4036 0.6390 0.0931 -0.1171 0.0612 190 VAL A N 1395 C CA . VAL A 190 ? 0.7497 0.4049 0.6417 0.0810 -0.1213 0.0749 190 VAL A CA 1396 C C . VAL A 190 ? 0.7188 0.4017 0.6147 0.0617 -0.1121 0.0771 190 VAL A C 1397 O O . VAL A 190 ? 0.6887 0.3933 0.5983 0.0534 -0.1015 0.0681 190 VAL A O 1398 C CB . VAL A 190 ? 0.7928 0.3934 0.6570 0.0688 -0.1185 0.0771 190 VAL A CB 1399 C CG1 . VAL A 190 ? 0.8272 0.3944 0.6582 0.0560 -0.1211 0.0921 190 VAL A CG1 1400 C CG2 . VAL A 190 ? 0.8329 0.4009 0.6909 0.0883 -0.1265 0.0731 190 VAL A CG2 1401 N N . ALA A 191 ? 0.7309 0.4113 0.6124 0.0563 -0.1173 0.0883 191 ALA A N 1402 C CA . ALA A 191 ? 0.7093 0.4118 0.5914 0.0389 -0.1085 0.0899 191 ALA A CA 1403 C C . ALA A 191 ? 0.7414 0.4137 0.5918 0.0213 -0.1065 0.1004 191 ALA A C 1404 O O . ALA A 191 ? 0.7848 0.4229 0.6089 0.0254 -0.1169 0.1107 191 ALA A O 1405 C CB . ALA A 191 ? 0.6829 0.4263 0.5835 0.0467 -0.1127 0.0892 191 ALA A CB 1406 N N . TRP A 192 ? 0.7246 0.4079 0.5752 0.0028 -0.0929 0.0974 192 TRP A N 1407 C CA . TRP A 192 ? 0.7509 0.4129 0.5732 -0.0156 -0.0871 0.1054 192 TRP A CA 1408 C C . TRP A 192 ? 0.7170 0.4110 0.5481 -0.0249 -0.0786 0.1021 192 TRP A C 1409 O O . TRP A 192 ? 0.6822 0.4094 0.5388 -0.0181 -0.0764 0.0940 192 TRP A O 1410 C CB . TRP A 192 ? 0.7809 0.4106 0.5889 -0.0326 -0.0751 0.1032 192 TRP A CB 1411 C CG . TRP A 192 ? 0.7623 0.4168 0.5973 -0.0417 -0.0613 0.0883 192 TRP A CG 1412 C CD1 . TRP A 192 ? 0.7533 0.4259 0.5945 -0.0576 -0.0472 0.0820 192 TRP A CD1 1413 C CD2 . TRP A 192 ? 0.7605 0.4243 0.6188 -0.0337 -0.0620 0.0766 192 TRP A CD2 1414 N NE1 . TRP A 192 ? 0.7311 0.4263 0.6000 -0.0586 -0.0410 0.0671 192 TRP A NE1 1415 C CE2 . TRP A 192 ? 0.7361 0.4253 0.6142 -0.0450 -0.0501 0.0637 192 TRP A CE2 1416 C CE3 . TRP A 192 ? 0.7703 0.4240 0.6343 -0.0168 -0.0720 0.0745 192 TRP A CE3 1417 C CZ2 . TRP A 192 ? 0.7267 0.4313 0.6280 -0.0405 -0.0499 0.0493 192 TRP A CZ2 1418 C CZ3 . TRP A 192 ? 0.7561 0.4223 0.6410 -0.0139 -0.0695 0.0603 192 TRP A CZ3 1419 C CH2 . TRP A 192 ? 0.7363 0.4276 0.6388 -0.0259 -0.0594 0.0481 192 TRP A CH2 1420 N N . LEU A 193 ? 0.7338 0.4133 0.5393 -0.0401 -0.0733 0.1083 193 LEU A N 1421 C CA . LEU A 193 ? 0.7073 0.4109 0.5161 -0.0486 -0.0650 0.1050 193 LEU A CA 1422 C C . LEU A 193 ? 0.7136 0.4103 0.5142 -0.0677 -0.0467 0.1002 193 LEU A C 1423 O O . LEU A 193 ? 0.7455 0.4138 0.5293 -0.0790 -0.0402 0.1024 193 LEU A O 1424 C CB . LEU A 193 ? 0.7209 0.4216 0.5086 -0.0482 -0.0758 0.1141 193 LEU A CB 1425 C CG . LEU A 193 ? 0.7070 0.4265 0.5087 -0.0307 -0.0937 0.1161 193 LEU A CG 1426 C CD1 . LEU A 193 ? 0.7245 0.4419 0.5040 -0.0340 -0.1046 0.1230 193 LEU A CD1 1427 C CD2 . LEU A 193 ? 0.6638 0.4214 0.4999 -0.0239 -0.0894 0.1060 193 LEU A CD2 1428 N N . SER A 194 ? 0.6863 0.4083 0.4986 -0.0710 -0.0374 0.0927 194 SER A N 1429 C CA . SER A 194 ? 0.6936 0.4157 0.5004 -0.0871 -0.0198 0.0864 194 SER A CA 1430 C C . SER A 194 ? 0.6748 0.4189 0.4864 -0.0857 -0.0146 0.0810 194 SER A C 1431 O O . SER A 194 ? 0.6560 0.4135 0.4747 -0.0747 -0.0235 0.0822 194 SER A O 1432 C CB . SER A 194 ? 0.6829 0.4151 0.5141 -0.0906 -0.0099 0.0742 194 SER A CB 1433 O OG . SER A 194 ? 0.6485 0.4089 0.5098 -0.0751 -0.0150 0.0654 194 SER A OG 1434 N N . SER A 195 ? 0.6846 0.4308 0.4914 -0.0975 0.0012 0.0742 195 SER A N 1435 C CA . SER A 195 ? 0.6723 0.4349 0.4822 -0.0947 0.0075 0.0674 195 SER A CA 1436 C C . SER A 195 ? 0.6667 0.4467 0.4949 -0.0980 0.0239 0.0526 195 SER A C 1437 O O . SER A 195 ? 0.6769 0.4579 0.5145 -0.1074 0.0325 0.0472 195 SER A O 1438 C CB . SER A 195 ? 0.6963 0.4419 0.4724 -0.1034 0.0072 0.0750 195 SER A CB 1439 O OG . SER A 195 ? 0.7331 0.4591 0.4840 -0.1203 0.0195 0.0765 195 SER A OG 1440 N N . VAL A 196 ? 0.6550 0.4485 0.4882 -0.0901 0.0280 0.0452 196 VAL A N 1441 C CA . VAL A 196 ? 0.6438 0.4602 0.5003 -0.0849 0.0390 0.0291 196 VAL A CA 1442 C C . VAL A 196 ? 0.6455 0.4602 0.4886 -0.0798 0.0448 0.0251 196 VAL A C 1443 O O . VAL A 196 ? 0.6484 0.4488 0.4718 -0.0772 0.0373 0.0337 196 VAL A O 1444 C CB . VAL A 196 ? 0.6196 0.4564 0.5068 -0.0679 0.0291 0.0221 196 VAL A CB 1445 C CG1 . VAL A 196 ? 0.6082 0.4589 0.5044 -0.0494 0.0284 0.0125 196 VAL A CG1 1446 C CG2 . VAL A 196 ? 0.6208 0.4721 0.5325 -0.0751 0.0338 0.0126 196 VAL A CG2 1447 N N . PRO A 197 ? 0.6484 0.4780 0.5026 -0.0789 0.0589 0.0108 197 PRO A N 1448 C CA . PRO A 197 ? 0.6558 0.4798 0.4961 -0.0707 0.0641 0.0058 197 PRO A CA 1449 C C . PRO A 197 ? 0.6395 0.4656 0.4867 -0.0486 0.0526 0.0044 197 PRO A C 1450 O O . PRO A 197 ? 0.6224 0.4682 0.4961 -0.0346 0.0467 -0.0028 197 PRO A O 1451 C CB . PRO A 197 ? 0.6628 0.5078 0.5206 -0.0717 0.0816 -0.0116 197 PRO A CB 1452 C CG . PRO A 197 ? 0.6690 0.5240 0.5405 -0.0896 0.0890 -0.0128 197 PRO A CG 1453 C CD . PRO A 197 ? 0.6512 0.5024 0.5301 -0.0870 0.0720 -0.0023 197 PRO A CD 1454 N N . SER A 198 ? 0.6492 0.4529 0.4696 -0.0469 0.0496 0.0111 198 SER A N 1455 C CA . SER A 198 ? 0.6476 0.4442 0.4649 -0.0284 0.0426 0.0100 198 SER A CA 1456 C C . SER A 198 ? 0.6583 0.4611 0.4827 -0.0104 0.0493 -0.0049 198 SER A C 1457 O O . SER A 198 ? 0.6693 0.4800 0.4971 -0.0145 0.0618 -0.0147 198 SER A O 1458 C CB . SER A 198 ? 0.6634 0.4322 0.4486 -0.0359 0.0406 0.0194 198 SER A CB 1459 O OG . SER A 198 ? 0.6736 0.4258 0.4459 -0.0210 0.0401 0.0164 198 SER A OG 1460 N N . SER A 199 ? 0.6585 0.4565 0.4831 0.0104 0.0410 -0.0069 199 SER A N 1461 C CA . SER A 199 ? 0.6772 0.4729 0.5007 0.0327 0.0437 -0.0197 199 SER A CA 1462 C C . SER A 199 ? 0.7072 0.4738 0.4991 0.0286 0.0550 -0.0210 199 SER A C 1463 O O . SER A 199 ? 0.7209 0.4905 0.5156 0.0422 0.0624 -0.0345 199 SER A O 1464 C CB . SER A 199 ? 0.6823 0.4652 0.4978 0.0551 0.0311 -0.0177 199 SER A CB 1465 N N . ALA A 200 ? 0.7175 0.4581 0.4811 0.0099 0.0558 -0.0087 200 ALA A N 1466 C CA . ALA A 200 ? 0.7534 0.4629 0.4830 0.0020 0.0654 -0.0097 200 ALA A CA 1467 C C . ALA A 200 ? 0.7607 0.4784 0.4881 -0.0177 0.0765 -0.0124 200 ALA A C 1468 O O . ALA A 200 ? 0.7449 0.4798 0.4843 -0.0336 0.0744 -0.0059 200 ALA A O 1469 C CB . ALA A 200 ? 0.7626 0.4422 0.4634 -0.0097 0.0604 0.0024 200 ALA A CB 1470 N N . HIS A 201 ? 0.7925 0.4926 0.4994 -0.0160 0.0886 -0.0219 201 HIS A N 1471 C CA . HIS A 201 ? 0.8077 0.5099 0.5045 -0.0338 0.1019 -0.0263 201 HIS A CA 1472 C C . HIS A 201 ? 0.8159 0.5004 0.4851 -0.0597 0.0974 -0.0131 201 HIS A C 1473 O O . HIS A 201 ? 0.8306 0.4873 0.4729 -0.0648 0.0923 -0.0080 201 HIS A O 1474 C CB . HIS A 201 ? 0.8435 0.5272 0.5216 -0.0234 0.1158 -0.0409 201 HIS A CB 1475 C CG . HIS A 201 ? 0.8679 0.5462 0.5258 -0.0427 0.1312 -0.0458 201 HIS A CG 1476 N ND1 . HIS A 201 ? 0.8672 0.5738 0.5457 -0.0445 0.1466 -0.0577 201 HIS A ND1 1477 C CD2 . HIS A 201 ? 0.8942 0.5414 0.5108 -0.0620 0.1341 -0.0414 201 HIS A CD2 1478 C CE1 . HIS A 201 ? 0.8948 0.5846 0.5418 -0.0637 0.1594 -0.0592 201 HIS A CE1 1479 N NE2 . HIS A 201 ? 0.9102 0.5639 0.5189 -0.0738 0.1507 -0.0494 201 HIS A NE2 1480 N N . GLY A 202 ? 0.8111 0.5109 0.4860 -0.0762 0.0990 -0.0083 202 GLY A N 1481 C CA . GLY A 202 ? 0.8246 0.5093 0.4720 -0.0984 0.0927 0.0032 202 GLY A CA 1482 C C . GLY A 202 ? 0.8012 0.4914 0.4583 -0.1011 0.0740 0.0172 202 GLY A C 1483 O O . GLY A 202 ? 0.8102 0.4894 0.4465 -0.1158 0.0647 0.0257 202 GLY A O 1484 N N . HIS A 203 ? 0.7718 0.4804 0.4605 -0.0861 0.0679 0.0179 203 HIS A N 1485 C CA . HIS A 203 ? 0.7491 0.4663 0.4514 -0.0860 0.0522 0.0291 203 HIS A CA 1486 C C . HIS A 203 ? 0.7256 0.4650 0.4546 -0.0850 0.0487 0.0325 203 HIS A C 1487 O O . HIS A 203 ? 0.7221 0.4754 0.4686 -0.0798 0.0579 0.0240 203 HIS A O 1488 C CB . HIS A 203 ? 0.7400 0.4542 0.4505 -0.0703 0.0480 0.0277 203 HIS A CB 1489 C CG . HIS A 203 ? 0.7728 0.4598 0.4546 -0.0752 0.0496 0.0271 203 HIS A CG 1490 N ND1 . HIS A 203 ? 0.8133 0.4774 0.4707 -0.0746 0.0608 0.0183 203 HIS A ND1 1491 C CD2 . HIS A 203 ? 0.7806 0.4588 0.4544 -0.0818 0.0427 0.0330 203 HIS A CD2 1492 C CE1 . HIS A 203 ? 0.8336 0.4720 0.4664 -0.0816 0.0602 0.0193 203 HIS A CE1 1493 N NE2 . HIS A 203 ? 0.8177 0.4657 0.4610 -0.0873 0.0498 0.0280 203 HIS A NE2 1494 N N . ARG A 204 ? 0.7135 0.4565 0.4463 -0.0904 0.0355 0.0435 204 ARG A N 1495 C CA . ARG A 204 ? 0.6947 0.4526 0.4503 -0.0882 0.0307 0.0472 204 ARG A CA 1496 C C . ARG A 204 ? 0.6677 0.4364 0.4435 -0.0766 0.0185 0.0511 204 ARG A C 1497 O O . ARG A 204 ? 0.6680 0.4323 0.4364 -0.0772 0.0112 0.0557 204 ARG A O 1498 C CB . ARG A 204 ? 0.7123 0.4600 0.4506 -0.1029 0.0259 0.0570 204 ARG A CB 1499 C CG . ARG A 204 ? 0.7470 0.4810 0.4605 -0.1168 0.0399 0.0541 204 ARG A CG 1500 C CD . ARG A 204 ? 0.7476 0.4937 0.4804 -0.1175 0.0549 0.0452 204 ARG A CD 1501 N NE . ARG A 204 ? 0.7500 0.4983 0.4956 -0.1202 0.0493 0.0514 204 ARG A NE 1502 C CZ . ARG A 204 ? 0.7582 0.5146 0.5186 -0.1266 0.0615 0.0448 204 ARG A CZ 1503 N NH1 . ARG A 204 ? 0.7641 0.5333 0.5328 -0.1302 0.0803 0.0308 204 ARG A NH1 1504 N NH2 . ARG A 204 ? 0.7570 0.5091 0.5248 -0.1300 0.0557 0.0508 204 ARG A NH2 1505 N N . GLN A 205 ? 0.6474 0.4310 0.4486 -0.0674 0.0174 0.0479 205 GLN A N 1506 C CA . GLN A 205 ? 0.6247 0.4173 0.4429 -0.0570 0.0065 0.0513 205 GLN A CA 1507 C C . GLN A 205 ? 0.6221 0.4159 0.4467 -0.0625 -0.0013 0.0587 205 GLN A C 1508 O O . GLN A 205 ? 0.6227 0.4180 0.4546 -0.0667 0.0031 0.0561 205 GLN A O 1509 C CB . GLN A 205 ? 0.6100 0.4153 0.4483 -0.0410 0.0084 0.0416 205 GLN A CB 1510 C CG . GLN A 205 ? 0.5982 0.4075 0.4450 -0.0288 -0.0004 0.0438 205 GLN A CG 1511 C CD . GLN A 205 ? 0.5918 0.4133 0.4563 -0.0127 -0.0019 0.0343 205 GLN A CD 1512 O OE1 . GLN A 205 ? 0.5930 0.4268 0.4721 -0.0116 0.0017 0.0252 205 GLN A OE1 1513 N NE2 . GLN A 205 ? 0.5948 0.4142 0.4577 -0.0008 -0.0075 0.0353 205 GLN A NE2 1514 N N . LEU A 206 ? 0.6190 0.4113 0.4402 -0.0627 -0.0124 0.0671 206 LEU A N 1515 C CA . LEU A 206 ? 0.6220 0.4120 0.4472 -0.0632 -0.0224 0.0744 206 LEU A CA 1516 C C . LEU A 206 ? 0.6034 0.4052 0.4528 -0.0500 -0.0270 0.0714 206 LEU A C 1517 O O . LEU A 206 ? 0.5899 0.4018 0.4482 -0.0410 -0.0265 0.0674 206 LEU A O 1518 C CB . LEU A 206 ? 0.6315 0.4189 0.4452 -0.0664 -0.0345 0.0826 206 LEU A CB 1519 C CG . LEU A 206 ? 0.6549 0.4310 0.4413 -0.0792 -0.0340 0.0854 206 LEU A CG 1520 C CD1 . LEU A 206 ? 0.6558 0.4396 0.4407 -0.0793 -0.0494 0.0903 206 LEU A CD1 1521 C CD2 . LEU A 206 ? 0.6809 0.4361 0.4440 -0.0895 -0.0294 0.0892 206 LEU A CD2 1522 N N . VAL A 207 ? 0.6082 0.4045 0.4637 -0.0495 -0.0307 0.0732 207 VAL A N 1523 C CA . VAL A 207 ? 0.5945 0.3994 0.4707 -0.0377 -0.0349 0.0688 207 VAL A CA 1524 C C . VAL A 207 ? 0.6066 0.4032 0.4830 -0.0332 -0.0465 0.0760 207 VAL A C 1525 O O . VAL A 207 ? 0.6310 0.4080 0.4927 -0.0402 -0.0494 0.0826 207 VAL A O 1526 C CB . VAL A 207 ? 0.5908 0.3978 0.4787 -0.0399 -0.0277 0.0595 207 VAL A CB 1527 C CG1 . VAL A 207 ? 0.5798 0.3957 0.4865 -0.0273 -0.0332 0.0532 207 VAL A CG1 1528 C CG2 . VAL A 207 ? 0.5870 0.4047 0.4769 -0.0413 -0.0174 0.0509 207 VAL A CG2 1529 N N . CYS A 208 ? 0.5957 0.4049 0.4863 -0.0205 -0.0526 0.0744 208 CYS A N 1530 C CA . CYS A 208 ? 0.6076 0.4123 0.5031 -0.0117 -0.0636 0.0785 208 CYS A CA 1531 C C . CYS A 208 ? 0.6025 0.4076 0.5126 -0.0018 -0.0636 0.0713 208 CYS A C 1532 O O . CYS A 208 ? 0.5879 0.4087 0.5104 0.0079 -0.0623 0.0654 208 CYS A O 1533 C CB . CYS A 208 ? 0.6019 0.4245 0.5045 -0.0052 -0.0702 0.0806 208 CYS A CB 1534 S SG . CYS A 208 ? 0.6240 0.4454 0.5356 0.0094 -0.0852 0.0839 208 CYS A SG 1535 N N . HIS A 209 ? 0.6213 0.4059 0.5264 -0.0058 -0.0642 0.0715 209 HIS A N 1536 C CA . HIS A 209 ? 0.6203 0.4019 0.5372 0.0003 -0.0642 0.0629 209 HIS A CA 1537 C C . HIS A 209 ? 0.6300 0.4053 0.5509 0.0152 -0.0740 0.0646 209 HIS A C 1538 O O . HIS A 209 ? 0.6547 0.4094 0.5636 0.0167 -0.0816 0.0729 209 HIS A O 1539 C CB . HIS A 209 ? 0.6413 0.4016 0.5509 -0.0136 -0.0590 0.0608 209 HIS A CB 1540 C CG . HIS A 209 ? 0.6379 0.4048 0.5442 -0.0289 -0.0481 0.0586 209 HIS A CG 1541 N ND1 . HIS A 209 ? 0.6340 0.4143 0.5551 -0.0349 -0.0402 0.0459 209 HIS A ND1 1542 C CD2 . HIS A 209 ? 0.6437 0.4069 0.5342 -0.0387 -0.0437 0.0659 209 HIS A CD2 1543 C CE1 . HIS A 209 ? 0.6298 0.4161 0.5468 -0.0467 -0.0305 0.0451 209 HIS A CE1 1544 N NE2 . HIS A 209 ? 0.6368 0.4106 0.5331 -0.0497 -0.0317 0.0574 209 HIS A NE2 1545 N N . VAL A 210 ? 0.6139 0.4053 0.5492 0.0276 -0.0740 0.0565 210 VAL A N 1546 C CA . VAL A 210 ? 0.6210 0.4086 0.5629 0.0434 -0.0810 0.0545 210 VAL A CA 1547 C C . VAL A 210 ? 0.6254 0.4042 0.5712 0.0466 -0.0792 0.0434 210 VAL A C 1548 O O . VAL A 210 ? 0.6097 0.4039 0.5610 0.0473 -0.0742 0.0349 210 VAL A O 1549 C CB . VAL A 210 ? 0.6033 0.4193 0.5580 0.0547 -0.0802 0.0525 210 VAL A CB 1550 C CG1 . VAL A 210 ? 0.6160 0.4311 0.5801 0.0720 -0.0873 0.0500 210 VAL A CG1 1551 C CG2 . VAL A 210 ? 0.5933 0.4241 0.5462 0.0472 -0.0803 0.0601 210 VAL A CG2 1552 N N . SER A 211 ? 0.6522 0.4030 0.5919 0.0491 -0.0842 0.0431 211 SER A N 1553 C CA . SER A 211 ? 0.6618 0.4002 0.6034 0.0489 -0.0830 0.0312 211 SER A CA 1554 C C . SER A 211 ? 0.6922 0.4054 0.6297 0.0627 -0.0896 0.0288 211 SER A C 1555 O O . SER A 211 ? 0.7166 0.4095 0.6447 0.0687 -0.0962 0.0383 211 SER A O 1556 C CB . SER A 211 ? 0.6732 0.3959 0.6086 0.0280 -0.0781 0.0294 211 SER A CB 1557 O OG . SER A 211 ? 0.6769 0.3982 0.6193 0.0248 -0.0769 0.0146 211 SER A OG 1558 N N . GLY A 212 ? 0.6960 0.4090 0.6384 0.0694 -0.0889 0.0155 212 GLY A N 1559 C CA . GLY A 212 ? 0.7281 0.4122 0.6646 0.0815 -0.0938 0.0101 212 GLY A CA 1560 C C . GLY A 212 ? 0.7257 0.4235 0.6706 0.1053 -0.0965 0.0081 212 GLY A C 1561 O O . GLY A 212 ? 0.7573 0.4304 0.6971 0.1194 -0.1023 0.0079 212 GLY A O 1562 N N . PHE A 213 ? 0.6922 0.4277 0.6490 0.1100 -0.0912 0.0058 213 PHE A N 1563 C CA . PHE A 213 ? 0.6867 0.4422 0.6550 0.1293 -0.0901 0.0027 213 PHE A CA 1564 C C . PHE A 213 ? 0.6879 0.4534 0.6562 0.1375 -0.0832 -0.0115 213 PHE A C 1565 O O . PHE A 213 ? 0.6793 0.4496 0.6405 0.1282 -0.0794 -0.0166 213 PHE A O 1566 C CB . PHE A 213 ? 0.6580 0.4472 0.6377 0.1272 -0.0875 0.0114 213 PHE A CB 1567 C CG . PHE A 213 ? 0.6242 0.4334 0.6014 0.1139 -0.0789 0.0115 213 PHE A CG 1568 C CD1 . PHE A 213 ? 0.6110 0.4145 0.5807 0.0969 -0.0795 0.0185 213 PHE A CD1 1569 C CD2 . PHE A 213 ? 0.6109 0.4420 0.5904 0.1190 -0.0694 0.0045 213 PHE A CD2 1570 C CE1 . PHE A 213 ? 0.5941 0.4133 0.5603 0.0881 -0.0726 0.0181 213 PHE A CE1 1571 C CE2 . PHE A 213 ? 0.5993 0.4411 0.5702 0.1089 -0.0625 0.0056 213 PHE A CE2 1572 C CZ . PHE A 213 ? 0.5899 0.4259 0.5551 0.0948 -0.0651 0.0123 213 PHE A CZ 1573 N N . TYR A 214 ? 0.7042 0.4727 0.6794 0.1565 -0.0821 -0.0184 214 TYR A N 1574 C CA . TYR A 214 ? 0.7096 0.4885 0.6825 0.1664 -0.0734 -0.0322 214 TYR A CA 1575 C C . TYR A 214 ? 0.7124 0.5163 0.7035 0.1841 -0.0682 -0.0353 214 TYR A C 1576 O O . TYR A 214 ? 0.7274 0.5251 0.7296 0.1965 -0.0762 -0.0326 214 TYR A O 1577 C CB . TYR A 214 ? 0.7413 0.4860 0.6999 0.1706 -0.0773 -0.0444 214 TYR A CB 1578 C CG . TYR A 214 ? 0.7517 0.5020 0.7008 0.1796 -0.0692 -0.0596 214 TYR A CG 1579 C CD1 . TYR A 214 ? 0.7743 0.5254 0.7276 0.1995 -0.0641 -0.0696 214 TYR A CD1 1580 C CD2 . TYR A 214 ? 0.7482 0.5021 0.6821 0.1696 -0.0672 -0.0647 214 TYR A CD2 1581 C CE1 . TYR A 214 ? 0.7930 0.5466 0.7329 0.2071 -0.0549 -0.0840 214 TYR A CE1 1582 C CE2 . TYR A 214 ? 0.7693 0.5239 0.6873 0.1784 -0.0607 -0.0782 214 TYR A CE2 1583 C CZ . TYR A 214 ? 0.7895 0.5428 0.7091 0.1960 -0.0535 -0.0876 214 TYR A CZ 1584 O OH . TYR A 214 ? 0.8119 0.5633 0.7112 0.2039 -0.0454 -0.1014 214 TYR A OH 1585 N N . PRO A 215 ? 0.7017 0.5338 0.6953 0.1856 -0.0545 -0.0415 215 PRO A N 1586 C CA . PRO A 215 ? 0.6953 0.5303 0.6693 0.1756 -0.0453 -0.0449 215 PRO A CA 1587 C C . PRO A 215 ? 0.6715 0.5177 0.6419 0.1577 -0.0445 -0.0328 215 PRO A C 1588 O O . PRO A 215 ? 0.6573 0.5083 0.6398 0.1507 -0.0511 -0.0219 215 PRO A O 1589 C CB . PRO A 215 ? 0.7027 0.5611 0.6801 0.1854 -0.0289 -0.0545 215 PRO A CB 1590 C CG . PRO A 215 ? 0.7110 0.5810 0.7146 0.2026 -0.0307 -0.0593 215 PRO A CG 1591 C CD . PRO A 215 ? 0.7021 0.5657 0.7184 0.1995 -0.0466 -0.0468 215 PRO A CD 1592 N N . LYS A 216 ? 0.6727 0.5195 0.6227 0.1518 -0.0369 -0.0351 216 LYS A N 1593 C CA . LYS A 216 ? 0.6562 0.5063 0.5967 0.1374 -0.0367 -0.0255 216 LYS A CA 1594 C C . LYS A 216 ? 0.6398 0.5130 0.5929 0.1288 -0.0294 -0.0157 216 LYS A C 1595 O O . LYS A 216 ? 0.6252 0.4987 0.5832 0.1184 -0.0357 -0.0060 216 LYS A O 1596 C CB . LYS A 216 ? 0.6692 0.5095 0.5797 0.1377 -0.0319 -0.0310 216 LYS A CB 1597 C CG . LYS A 216 ? 0.6611 0.4947 0.5596 0.1284 -0.0388 -0.0253 216 LYS A CG 1598 C CD . LYS A 216 ? 0.6875 0.5116 0.5524 0.1323 -0.0339 -0.0291 216 LYS A CD 1599 C CE . LYS A 216 ? 0.6778 0.4945 0.5315 0.1294 -0.0448 -0.0280 216 LYS A CE 1600 N N . PRO A 217 ? 0.6454 0.5387 0.6041 0.1316 -0.0153 -0.0195 217 PRO A N 1601 C CA . PRO A 217 ? 0.6316 0.5481 0.6019 0.1197 -0.0076 -0.0123 217 PRO A CA 1602 C C . PRO A 217 ? 0.6159 0.5445 0.6125 0.1175 -0.0201 -0.0051 217 PRO A C 1603 O O . PRO A 217 ? 0.6224 0.5518 0.6360 0.1301 -0.0296 -0.0081 217 PRO A O 1604 C CB . PRO A 217 ? 0.6432 0.5828 0.6225 0.1240 0.0097 -0.0217 217 PRO A CB 1605 C CG . PRO A 217 ? 0.6664 0.5866 0.6230 0.1355 0.0143 -0.0316 217 PRO A CG 1606 C CD . PRO A 217 ? 0.6661 0.5640 0.6228 0.1440 -0.0045 -0.0319 217 PRO A CD 1607 N N . VAL A 218 ? 0.6020 0.5359 0.5973 0.1027 -0.0206 0.0041 218 VAL A N 1608 C CA . VAL A 218 ? 0.5896 0.5283 0.5998 0.0985 -0.0338 0.0124 218 VAL A CA 1609 C C . VAL A 218 ? 0.5789 0.5288 0.5865 0.0808 -0.0290 0.0193 218 VAL A C 1610 O O . VAL A 218 ? 0.5782 0.5163 0.5639 0.0712 -0.0198 0.0212 218 VAL A O 1611 C CB . VAL A 218 ? 0.5914 0.5000 0.5902 0.0995 -0.0474 0.0174 218 VAL A CB 1612 C CG1 . VAL A 218 ? 0.5829 0.4755 0.5597 0.0878 -0.0445 0.0211 218 VAL A CG1 1613 C CG2 . VAL A 218 ? 0.5924 0.4997 0.6017 0.0990 -0.0610 0.0253 218 VAL A CG2 1614 N N . TRP A 219 ? 0.5753 0.5459 0.6033 0.0778 -0.0365 0.0222 219 TRP A N 1615 C CA . TRP A 219 ? 0.5690 0.5514 0.5964 0.0602 -0.0338 0.0271 219 TRP A CA 1616 C C . TRP A 219 ? 0.5661 0.5335 0.5868 0.0558 -0.0491 0.0369 219 TRP A C 1617 O O . TRP A 219 ? 0.5747 0.5409 0.6052 0.0663 -0.0637 0.0390 219 TRP A O 1618 C CB . TRP A 219 ? 0.5682 0.5921 0.6264 0.0592 -0.0307 0.0199 219 TRP A CB 1619 C CG . TRP A 219 ? 0.5745 0.6144 0.6346 0.0389 -0.0263 0.0216 219 TRP A CG 1620 C CD1 . TRP A 219 ? 0.5879 0.6316 0.6382 0.0219 -0.0069 0.0184 219 TRP A CD1 1621 C CD2 . TRP A 219 ? 0.5787 0.6299 0.6479 0.0323 -0.0412 0.0261 219 TRP A CD2 1622 N NE1 . TRP A 219 ? 0.5916 0.6486 0.6465 0.0040 -0.0085 0.0197 219 TRP A NE1 1623 C CE2 . TRP A 219 ? 0.5847 0.6486 0.6518 0.0103 -0.0301 0.0240 219 TRP A CE2 1624 C CE3 . TRP A 219 ? 0.5802 0.6275 0.6542 0.0425 -0.0629 0.0318 219 TRP A CE3 1625 C CZ2 . TRP A 219 ? 0.5863 0.6630 0.6588 -0.0017 -0.0410 0.0260 219 TRP A CZ2 1626 C CZ3 . TRP A 219 ? 0.5873 0.6460 0.6636 0.0318 -0.0742 0.0350 219 TRP A CZ3 1627 C CH2 . TRP A 219 ? 0.5925 0.6676 0.6694 0.0098 -0.0637 0.0314 219 TRP A CH2 1628 N N . VAL A 220 ? 0.5625 0.5148 0.5627 0.0411 -0.0454 0.0427 220 VAL A N 1629 C CA . VAL A 220 ? 0.5635 0.4999 0.5528 0.0345 -0.0563 0.0513 220 VAL A CA 1630 C C . VAL A 220 ? 0.5632 0.5017 0.5414 0.0165 -0.0509 0.0543 220 VAL A C 1631 O O . VAL A 220 ? 0.5632 0.4925 0.5262 0.0093 -0.0382 0.0529 220 VAL A O 1632 C CB . VAL A 220 ? 0.5648 0.4711 0.5366 0.0369 -0.0577 0.0539 220 VAL A CB 1633 C CG1 . VAL A 220 ? 0.5707 0.4612 0.5314 0.0290 -0.0663 0.0619 220 VAL A CG1 1634 C CG2 . VAL A 220 ? 0.5706 0.4702 0.5499 0.0524 -0.0617 0.0492 220 VAL A CG2 1635 N N . MET A 221 ? 0.5677 0.5144 0.5495 0.0102 -0.0615 0.0581 221 MET A N 1636 C CA . MET A 221 ? 0.5713 0.5204 0.5426 -0.0077 -0.0574 0.0592 221 MET A CA 1637 C C . MET A 221 ? 0.5816 0.5214 0.5408 -0.0145 -0.0703 0.0658 221 MET A C 1638 O O . MET A 221 ? 0.5891 0.5357 0.5567 -0.0062 -0.0860 0.0684 221 MET A O 1639 C CB . MET A 221 ? 0.5709 0.5532 0.5627 -0.0150 -0.0517 0.0515 221 MET A CB 1640 C CG . MET A 221 ? 0.5776 0.5566 0.5623 -0.0211 -0.0312 0.0465 221 MET A CG 1641 S SD . MET A 221 ? 0.6048 0.5505 0.5524 -0.0386 -0.0194 0.0504 221 MET A SD 1642 C CE . MET A 221 ? 0.6123 0.5637 0.5561 -0.0518 0.0025 0.0433 221 MET A CE 1643 N N . TRP A 222 ? 0.5858 0.5071 0.5216 -0.0282 -0.0635 0.0683 222 TRP A N 1644 C CA . TRP A 222 ? 0.5973 0.5107 0.5172 -0.0385 -0.0725 0.0728 222 TRP A CA 1645 C C . TRP A 222 ? 0.6020 0.5409 0.5318 -0.0507 -0.0752 0.0675 222 TRP A C 1646 O O . TRP A 222 ? 0.5962 0.5445 0.5314 -0.0595 -0.0620 0.0613 222 TRP A O 1647 C CB . TRP A 222 ? 0.6023 0.4868 0.4943 -0.0476 -0.0626 0.0754 222 TRP A CB 1648 C CG . TRP A 222 ? 0.6005 0.4646 0.4847 -0.0397 -0.0621 0.0792 222 TRP A CG 1649 C CD1 . TRP A 222 ? 0.5918 0.4491 0.4797 -0.0318 -0.0535 0.0762 222 TRP A CD1 1650 C CD2 . TRP A 222 ? 0.6163 0.4635 0.4864 -0.0407 -0.0702 0.0856 222 TRP A CD2 1651 N NE1 . TRP A 222 ? 0.5967 0.4387 0.4791 -0.0294 -0.0553 0.0788 222 TRP A NE1 1652 C CE2 . TRP A 222 ? 0.6144 0.4474 0.4840 -0.0356 -0.0639 0.0852 222 TRP A CE2 1653 C CE3 . TRP A 222 ? 0.6387 0.4797 0.4938 -0.0459 -0.0824 0.0914 222 TRP A CE3 1654 C CZ2 . TRP A 222 ? 0.6309 0.4429 0.4862 -0.0385 -0.0662 0.0903 222 TRP A CZ2 1655 C CZ3 . TRP A 222 ? 0.6588 0.4740 0.4938 -0.0465 -0.0855 0.0981 222 TRP A CZ3 1656 C CH2 . TRP A 222 ? 0.6514 0.4520 0.4872 -0.0442 -0.0759 0.0975 222 TRP A CH2 1657 N N . MET A 223 ? 0.6149 0.5634 0.5452 -0.0517 -0.0926 0.0694 223 MET A N 1658 C CA . MET A 223 ? 0.6190 0.6014 0.5673 -0.0609 -0.1003 0.0618 223 MET A CA 1659 C C . MET A 223 ? 0.6410 0.6192 0.5708 -0.0683 -0.1176 0.0646 223 MET A C 1660 O O . MET A 223 ? 0.6573 0.6101 0.5645 -0.0607 -0.1279 0.0737 223 MET A O 1661 C CB . MET A 223 ? 0.6101 0.6303 0.5970 -0.0453 -0.1099 0.0561 223 MET A CB 1662 C CG . MET A 223 ? 0.5937 0.6224 0.5989 -0.0390 -0.0926 0.0512 223 MET A CG 1663 S SD . MET A 223 ? 0.5914 0.6709 0.6452 -0.0230 -0.1000 0.0406 223 MET A SD 1664 C CE . MET A 223 ? 0.5930 0.7181 0.6703 -0.0451 -0.1003 0.0278 223 MET A CE 1665 N N . ARG A 224 ? 0.6485 0.6499 0.5855 -0.0845 -0.1201 0.0561 224 ARG A N 1666 C CA . ARG A 224 ? 0.6728 0.6816 0.5992 -0.0893 -0.1415 0.0556 224 ARG A CA 1667 C C . ARG A 224 ? 0.6692 0.7310 0.6378 -0.0825 -0.1586 0.0455 224 ARG A C 1668 O O . ARG A 224 ? 0.6656 0.7612 0.6574 -0.0988 -0.1537 0.0327 224 ARG A O 1669 C CB . ARG A 224 ? 0.6899 0.6847 0.5903 -0.1144 -0.1339 0.0513 224 ARG A CB 1670 C CG . ARG A 224 ? 0.7038 0.6489 0.5624 -0.1190 -0.1198 0.0596 224 ARG A CG 1671 C CD . ARG A 224 ? 0.7458 0.6727 0.5700 -0.1370 -0.1232 0.0574 224 ARG A CD 1672 N NE . ARG A 224 ? 0.7632 0.6476 0.5535 -0.1419 -0.1046 0.0618 224 ARG A NE 1673 C CZ . ARG A 224 ? 0.7801 0.6350 0.5425 -0.1353 -0.1053 0.0707 224 ARG A CZ 1674 N NH1 . ARG A 224 ? 0.7960 0.6511 0.5531 -0.1244 -0.1239 0.0782 224 ARG A NH1 1675 N NH2 . ARG A 224 ? 0.7820 0.6061 0.5208 -0.1397 -0.0867 0.0714 224 ARG A NH2 1676 N N . GLY A 225 ? 0.6730 0.7417 0.6522 -0.0582 -0.1778 0.0502 225 GLY A N 1677 C CA . GLY A 225 ? 0.6712 0.7926 0.6937 -0.0450 -0.1969 0.0399 225 GLY A CA 1678 C C . GLY A 225 ? 0.6425 0.8032 0.7105 -0.0458 -0.1788 0.0278 225 GLY A C 1679 O O . GLY A 225 ? 0.6290 0.7851 0.7088 -0.0280 -0.1719 0.0306 225 GLY A O 1680 N N . ASP A 226 ? 0.6372 0.8341 0.7279 -0.0683 -0.1699 0.0138 226 ASP A N 1681 C CA . ASP A 226 ? 0.6171 0.8524 0.7487 -0.0736 -0.1498 0.0010 226 ASP A CA 1682 C C . ASP A 226 ? 0.6093 0.8121 0.7181 -0.0940 -0.1172 0.0033 226 ASP A C 1683 O O . ASP A 226 ? 0.5986 0.8156 0.7273 -0.0950 -0.0971 -0.0027 226 ASP A O 1684 C CB . ASP A 226 ? 0.6211 0.9232 0.7989 -0.0859 -0.1584 -0.0186 226 ASP A CB 1685 C CG . ASP A 226 ? 0.6377 0.9365 0.7971 -0.1178 -0.1575 -0.0242 226 ASP A CG 1686 O OD1 . ASP A 226 ? 0.6500 0.8938 0.7594 -0.1279 -0.1516 -0.0123 226 ASP A OD1 1687 O OD2 . ASP A 226 ? 0.6377 0.9913 0.8347 -0.1332 -0.1625 -0.0422 226 ASP A OD2 1688 N N . GLN A 227 ? 0.6209 0.7782 0.6853 -0.1085 -0.1124 0.0117 227 GLN A N 1689 C CA . GLN A 227 ? 0.6207 0.7425 0.6582 -0.1262 -0.0844 0.0137 227 GLN A CA 1690 C C . GLN A 227 ? 0.6095 0.6854 0.6193 -0.1098 -0.0756 0.0271 227 GLN A C 1691 O O . GLN A 227 ? 0.6140 0.6589 0.5968 -0.1019 -0.0856 0.0374 227 GLN A O 1692 C CB . GLN A 227 ? 0.6426 0.7418 0.6489 -0.1515 -0.0821 0.0122 227 GLN A CB 1693 C CG . GLN A 227 ? 0.6532 0.7937 0.6845 -0.1765 -0.0823 -0.0042 227 GLN A CG 1694 N N . GLU A 228 ? 0.5979 0.6709 0.6142 -0.1058 -0.0566 0.0258 228 GLU A N 1695 C CA . GLU A 228 ? 0.5884 0.6211 0.5797 -0.0923 -0.0475 0.0356 228 GLU A CA 1696 C C . GLU A 228 ? 0.6017 0.5906 0.5522 -0.1060 -0.0352 0.0402 228 GLU A C 1697 O O . GLU A 228 ? 0.6146 0.5965 0.5547 -0.1244 -0.0193 0.0351 228 GLU A O 1698 C CB . GLU A 228 ? 0.5796 0.6200 0.5843 -0.0851 -0.0309 0.0316 228 GLU A CB 1699 C CG . GLU A 228 ? 0.5696 0.6602 0.6188 -0.0774 -0.0348 0.0216 228 GLU A CG 1700 C CD . GLU A 228 ? 0.5658 0.6582 0.6212 -0.0707 -0.0158 0.0176 228 GLU A CD 1701 O OE1 . GLU A 228 ? 0.5624 0.6930 0.6535 -0.0596 -0.0177 0.0093 228 GLU A OE1 1702 O OE2 . GLU A 228 ? 0.5737 0.6284 0.5964 -0.0751 0.0005 0.0223 228 GLU A OE2 1703 N N . GLN A 229 ? 0.6009 0.5593 0.5277 -0.0972 -0.0417 0.0491 229 GLN A N 1704 C CA . GLN A 229 ? 0.6120 0.5301 0.5026 -0.1048 -0.0304 0.0524 229 GLN A CA 1705 C C . GLN A 229 ? 0.6118 0.5107 0.4921 -0.0996 -0.0128 0.0522 229 GLN A C 1706 O O . GLN A 229 ? 0.5980 0.4972 0.4863 -0.0823 -0.0133 0.0547 229 GLN A O 1707 C CB . GLN A 229 ? 0.6109 0.5070 0.4845 -0.0950 -0.0392 0.0600 229 GLN A CB 1708 C CG . GLN A 229 ? 0.6183 0.5255 0.4935 -0.0970 -0.0579 0.0624 229 GLN A CG 1709 C CD . GLN A 229 ? 0.6351 0.5432 0.4969 -0.1171 -0.0600 0.0576 229 GLN A CD 1710 O OE1 . GLN A 229 ? 0.6415 0.5807 0.5234 -0.1250 -0.0684 0.0512 229 GLN A OE1 1711 N NE2 . GLN A 229 ? 0.6504 0.5262 0.4796 -0.1256 -0.0523 0.0588 229 GLN A NE2 1712 N N . GLN A 230 ? 0.6341 0.5126 0.4927 -0.1146 0.0022 0.0491 230 GLN A N 1713 C CA . GLN A 230 ? 0.6453 0.5002 0.4864 -0.1106 0.0189 0.0493 230 GLN A CA 1714 C C . GLN A 230 ? 0.6468 0.4677 0.4636 -0.0934 0.0196 0.0547 230 GLN A C 1715 O O . GLN A 230 ? 0.6536 0.4588 0.4590 -0.0819 0.0272 0.0556 230 GLN A O 1716 C CB . GLN A 230 ? 0.6777 0.5143 0.4975 -0.1333 0.0355 0.0446 230 GLN A CB 1717 C CG . GLN A 230 ? 0.6753 0.5515 0.5243 -0.1524 0.0388 0.0360 230 GLN A CG 1718 C CD . GLN A 230 ? 0.6668 0.5651 0.5364 -0.1452 0.0476 0.0333 230 GLN A CD 1719 O OE1 . GLN A 230 ? 0.6351 0.5696 0.5389 -0.1307 0.0358 0.0322 230 GLN A OE1 1720 N NE2 . GLN A 230 ? 0.6982 0.5699 0.5424 -0.1547 0.0690 0.0322 230 GLN A NE2 1721 N N . GLY A 231 ? 0.6443 0.4561 0.4536 -0.0915 0.0113 0.0570 231 GLY A N 1722 C CA . GLY A 231 ? 0.6465 0.4333 0.4386 -0.0764 0.0121 0.0592 231 GLY A CA 1723 C C . GLY A 231 ? 0.6250 0.4262 0.4369 -0.0579 0.0041 0.0610 231 GLY A C 1724 O O . GLY A 231 ? 0.6267 0.4144 0.4309 -0.0450 0.0041 0.0606 231 GLY A O 1725 N N . THR A 232 ? 0.6090 0.4385 0.4476 -0.0564 -0.0031 0.0614 232 THR A N 1726 C CA . THR A 232 ? 0.5897 0.4310 0.4468 -0.0406 -0.0110 0.0623 232 THR A CA 1727 C C . THR A 232 ? 0.5937 0.4222 0.4421 -0.0269 -0.0048 0.0600 232 THR A C 1728 O O . THR A 232 ? 0.6053 0.4304 0.4462 -0.0277 0.0040 0.0584 232 THR A O 1729 C CB . THR A 232 ? 0.5779 0.4486 0.4624 -0.0395 -0.0183 0.0617 232 THR A CB 1730 O OG1 . THR A 232 ? 0.5858 0.4698 0.4766 -0.0513 -0.0264 0.0628 232 THR A OG1 1731 C CG2 . THR A 232 ? 0.5639 0.4402 0.4638 -0.0242 -0.0277 0.0628 232 THR A CG2 1732 N N . HIS A 233 ? 0.5889 0.4105 0.4369 -0.0152 -0.0092 0.0591 233 HIS A N 1733 C CA . HIS A 233 ? 0.5953 0.4076 0.4360 0.0000 -0.0075 0.0557 233 HIS A CA 1734 C C . HIS A 233 ? 0.5816 0.4088 0.4430 0.0108 -0.0155 0.0531 233 HIS A C 1735 O O . HIS A 233 ? 0.5693 0.4038 0.4453 0.0111 -0.0228 0.0529 233 HIS A O 1736 C CB . HIS A 233 ? 0.6058 0.4007 0.4308 0.0074 -0.0068 0.0529 233 HIS A CB 1737 C CG . HIS A 233 ? 0.6175 0.4037 0.4334 0.0253 -0.0086 0.0483 233 HIS A CG 1738 N ND1 . HIS A 233 ? 0.6035 0.4015 0.4356 0.0367 -0.0172 0.0424 233 HIS A ND1 1739 C CD2 . HIS A 233 ? 0.6384 0.4040 0.4281 0.0333 -0.0036 0.0484 233 HIS A CD2 1740 C CE1 . HIS A 233 ? 0.6167 0.4047 0.4346 0.0524 -0.0196 0.0382 233 HIS A CE1 1741 N NE2 . HIS A 233 ? 0.6419 0.4076 0.4311 0.0515 -0.0115 0.0427 233 HIS A NE2 1742 N N . ARG A 234 ? 0.5902 0.4179 0.4489 0.0185 -0.0125 0.0508 234 ARG A N 1743 C CA . ARG A 234 ? 0.5849 0.4214 0.4575 0.0304 -0.0190 0.0465 234 ARG A CA 1744 C C . ARG A 234 ? 0.5873 0.4147 0.4531 0.0423 -0.0243 0.0410 234 ARG A C 1745 O O . ARG A 234 ? 0.6007 0.4124 0.4441 0.0486 -0.0213 0.0397 234 ARG A O 1746 C CB . ARG A 234 ? 0.5958 0.4343 0.4635 0.0347 -0.0121 0.0443 234 ARG A CB 1747 C CG . ARG A 234 ? 0.5951 0.4563 0.4877 0.0319 -0.0130 0.0440 234 ARG A CG 1748 C CD . ARG A 234 ? 0.6212 0.4851 0.5085 0.0376 -0.0035 0.0392 234 ARG A CD 1749 N NE . ARG A 234 ? 0.6176 0.5026 0.5311 0.0440 -0.0071 0.0350 234 ARG A NE 1750 C CZ . ARG A 234 ? 0.6365 0.5242 0.5486 0.0533 -0.0012 0.0285 234 ARG A CZ 1751 N NH1 . ARG A 234 ? 0.6593 0.5283 0.5418 0.0566 0.0079 0.0264 234 ARG A NH1 1752 N NH2 . ARG A 234 ? 0.6355 0.5419 0.5727 0.0609 -0.0049 0.0238 234 ARG A NH2 1753 N N . GLY A 235 ? 0.5753 0.4122 0.4603 0.0453 -0.0327 0.0370 235 GLY A N 1754 C CA . GLY A 235 ? 0.5745 0.4110 0.4609 0.0556 -0.0391 0.0284 235 GLY A CA 1755 C C . GLY A 235 ? 0.5813 0.4158 0.4620 0.0680 -0.0422 0.0226 235 GLY A C 1756 O O . GLY A 235 ? 0.5862 0.4198 0.4625 0.0681 -0.0370 0.0254 235 GLY A O 1757 N N . ASP A 236 ? 0.5842 0.4203 0.4656 0.0783 -0.0503 0.0129 236 ASP A N 1758 C CA . ASP A 236 ? 0.5950 0.4287 0.4701 0.0896 -0.0552 0.0055 236 ASP A CA 1759 C C . ASP A 236 ? 0.5824 0.4234 0.4794 0.0847 -0.0578 0.0031 236 ASP A C 1760 O O . ASP A 236 ? 0.5689 0.4149 0.4843 0.0736 -0.0582 0.0064 236 ASP A O 1761 C CB . ASP A 236 ? 0.6078 0.4435 0.4785 0.1023 -0.0663 -0.0059 236 ASP A CB 1762 C CG . ASP A 236 ? 0.6256 0.4537 0.4784 0.1095 -0.0664 -0.0044 236 ASP A CG 1763 O OD1 . ASP A 236 ? 0.6480 0.4567 0.4734 0.1106 -0.0578 0.0045 236 ASP A OD1 1764 O OD2 . ASP A 236 ? 0.6269 0.4681 0.4936 0.1142 -0.0747 -0.0133 236 ASP A OD2 1765 N N . PHE A 237 ? 0.5919 0.4288 0.4823 0.0934 -0.0591 -0.0024 237 PHE A N 1766 C CA . PHE A 237 ? 0.5875 0.4256 0.4947 0.0923 -0.0629 -0.0071 237 PHE A CA 1767 C C . PHE A 237 ? 0.5892 0.4295 0.5058 0.0927 -0.0735 -0.0194 237 PHE A C 1768 O O . PHE A 237 ? 0.6027 0.4428 0.5071 0.1027 -0.0798 -0.0290 237 PHE A O 1769 C CB . PHE A 237 ? 0.6019 0.4350 0.4979 0.1021 -0.0585 -0.0103 237 PHE A CB 1770 C CG . PHE A 237 ? 0.6026 0.4406 0.4990 0.0992 -0.0471 -0.0014 237 PHE A CG 1771 C CD1 . PHE A 237 ? 0.5964 0.4412 0.5136 0.0969 -0.0468 0.0013 237 PHE A CD1 1772 C CD2 . PHE A 237 ? 0.6178 0.4529 0.4932 0.0990 -0.0371 0.0031 237 PHE A CD2 1773 C CE1 . PHE A 237 ? 0.5980 0.4549 0.5215 0.0948 -0.0379 0.0068 237 PHE A CE1 1774 C CE2 . PHE A 237 ? 0.6207 0.4648 0.5005 0.0930 -0.0253 0.0088 237 PHE A CE2 1775 C CZ . PHE A 237 ? 0.6081 0.4673 0.5152 0.0912 -0.0264 0.0097 237 PHE A CZ 1776 N N . LEU A 238 ? 0.5799 0.4213 0.5162 0.0810 -0.0756 -0.0198 238 LEU A N 1777 C CA . LEU A 238 ? 0.5825 0.4282 0.5317 0.0762 -0.0833 -0.0331 238 LEU A CA 1778 C C . LEU A 238 ? 0.5961 0.4279 0.5500 0.0743 -0.0863 -0.0393 238 LEU A C 1779 O O . LEU A 238 ? 0.5981 0.4171 0.5537 0.0706 -0.0823 -0.0305 238 LEU A O 1780 C CB . LEU A 238 ? 0.5713 0.4260 0.5365 0.0611 -0.0807 -0.0311 238 LEU A CB 1781 C CG . LEU A 238 ? 0.5567 0.4216 0.5181 0.0615 -0.0762 -0.0244 238 LEU A CG 1782 C CD1 . LEU A 238 ? 0.5464 0.4198 0.5247 0.0454 -0.0719 -0.0255 238 LEU A CD1 1783 C CD2 . LEU A 238 ? 0.5573 0.4307 0.5078 0.0773 -0.0822 -0.0321 238 LEU A CD2 1784 N N . PRO A 239 ? 0.6106 0.4434 0.5651 0.0779 -0.0945 -0.0554 239 PRO A N 1785 C CA . PRO A 239 ? 0.6319 0.4470 0.5864 0.0772 -0.0976 -0.0642 239 PRO A CA 1786 C C . PRO A 239 ? 0.6402 0.4411 0.6081 0.0591 -0.0957 -0.0639 239 PRO A C 1787 O O . PRO A 239 ? 0.6323 0.4426 0.6128 0.0445 -0.0929 -0.0622 239 PRO A O 1788 C CB . PRO A 239 ? 0.6436 0.4674 0.5952 0.0828 -0.1083 -0.0833 239 PRO A CB 1789 C CG . PRO A 239 ? 0.6331 0.4744 0.5752 0.0938 -0.1109 -0.0814 239 PRO A CG 1790 C CD . PRO A 239 ? 0.6127 0.4625 0.5653 0.0850 -0.1030 -0.0676 239 PRO A CD 1791 N N . ASN A 240 ? 0.6639 0.4391 0.6258 0.0607 -0.0960 -0.0659 240 ASN A N 1792 C CA . ASN A 240 ? 0.6892 0.4397 0.6554 0.0441 -0.0948 -0.0678 240 ASN A CA 1793 C C . ASN A 240 ? 0.7218 0.4538 0.6828 0.0452 -0.1006 -0.0853 240 ASN A C 1794 O O . ASN A 240 ? 0.7308 0.4575 0.6801 0.0628 -0.1032 -0.0895 240 ASN A O 1795 C CB . ASN A 240 ? 0.6971 0.4225 0.6547 0.0458 -0.0903 -0.0505 240 ASN A CB 1796 C CG . ASN A 240 ? 0.6738 0.4109 0.6350 0.0377 -0.0851 -0.0349 240 ASN A CG 1797 O OD1 . ASN A 240 ? 0.6674 0.4194 0.6379 0.0229 -0.0820 -0.0374 240 ASN A OD1 1798 N ND2 . ASN A 240 ? 0.6622 0.3939 0.6169 0.0476 -0.0841 -0.0203 240 ASN A ND2 1799 N N . ALA A 241 ? 0.7445 0.4663 0.7135 0.0249 -0.1010 -0.0965 241 ALA A N 1800 C CA . ALA A 241 ? 0.7795 0.4832 0.7442 0.0215 -0.1068 -0.1159 241 ALA A CA 1801 C C . ALA A 241 ? 0.8072 0.4749 0.7513 0.0382 -0.1072 -0.1140 241 ALA A C 1802 O O . ALA A 241 ? 0.8235 0.4873 0.7591 0.0480 -0.1130 -0.1292 241 ALA A O 1803 C CB . ALA A 241 ? 0.8045 0.4934 0.7789 -0.0076 -0.1031 -0.1250 241 ALA A CB 1804 N N . ASP A 242 ? 0.8158 0.4585 0.7514 0.0429 -0.1018 -0.0965 242 ASP A N 1805 C CA . ASP A 242 ? 0.8448 0.4559 0.7645 0.0620 -0.1023 -0.0946 242 ASP A CA 1806 C C . ASP A 242 ? 0.8221 0.4589 0.7413 0.0871 -0.1016 -0.0906 242 ASP A C 1807 O O . ASP A 242 ? 0.8332 0.4560 0.7464 0.1049 -0.0999 -0.0848 242 ASP A O 1808 C CB . ASP A 242 ? 0.8699 0.4421 0.7794 0.0594 -0.0995 -0.0789 242 ASP A CB 1809 C CG . ASP A 242 ? 0.8416 0.4341 0.7575 0.0603 -0.0967 -0.0585 242 ASP A CG 1810 O OD1 . ASP A 242 ? 0.8621 0.4323 0.7687 0.0709 -0.0977 -0.0449 242 ASP A OD1 1811 O OD2 . ASP A 242 ? 0.8147 0.4445 0.7441 0.0514 -0.0945 -0.0568 242 ASP A OD2 1812 N N . GLU A 243 ? 0.7946 0.4685 0.7196 0.0882 -0.1025 -0.0944 243 GLU A N 1813 C CA . GLU A 243 ? 0.7783 0.4749 0.6977 0.1075 -0.0996 -0.0924 243 GLU A CA 1814 C C . GLU A 243 ? 0.7541 0.4646 0.6801 0.1143 -0.0930 -0.0735 243 GLU A C 1815 O O . GLU A 243 ? 0.7458 0.4707 0.6682 0.1289 -0.0875 -0.0715 243 GLU A O 1816 C CB . GLU A 243 ? 0.8088 0.4884 0.7132 0.1239 -0.0995 -0.1060 243 GLU A CB 1817 C CG . GLU A 243 ? 0.8418 0.5044 0.7378 0.1160 -0.1074 -0.1266 243 GLU A CG 1818 C CD . GLU A 243 ? 0.8732 0.5242 0.7493 0.1330 -0.1072 -0.1418 243 GLU A CD 1819 O OE1 . GLU A 243 ? 0.9137 0.5317 0.7815 0.1331 -0.1094 -0.1537 243 GLU A OE1 1820 O OE2 . GLU A 243 ? 0.8657 0.5371 0.7310 0.1454 -0.1039 -0.1421 243 GLU A OE2 1821 N N . THR A 244 ? 0.7464 0.4529 0.6811 0.1019 -0.0928 -0.0606 244 THR A N 1822 C CA . THR A 244 ? 0.7293 0.4502 0.6704 0.1057 -0.0888 -0.0437 244 THR A CA 1823 C C . THR A 244 ? 0.7018 0.4527 0.6473 0.0977 -0.0859 -0.0379 244 THR A C 1824 O O . THR A 244 ? 0.6989 0.4618 0.6416 0.0953 -0.0875 -0.0473 244 THR A O 1825 C CB . THR A 244 ? 0.7444 0.4401 0.6854 0.0992 -0.0912 -0.0318 244 THR A CB 1826 O OG1 . THR A 244 ? 0.7572 0.4330 0.6948 0.0791 -0.0925 -0.0355 244 THR A OG1 1827 C CG2 . THR A 244 ? 0.7725 0.4423 0.7083 0.1167 -0.0942 -0.0331 244 THR A CG2 1828 N N . TRP A 245 ? 0.6867 0.4484 0.6374 0.0949 -0.0829 -0.0234 245 TRP A N 1829 C CA . TRP A 245 ? 0.6667 0.4524 0.6184 0.0891 -0.0791 -0.0181 245 TRP A CA 1830 C C . TRP A 245 ? 0.6569 0.4438 0.6130 0.0751 -0.0782 -0.0058 245 TRP A C 1831 O O . TRP A 245 ? 0.6694 0.4433 0.6258 0.0737 -0.0799 0.0032 245 TRP A O 1832 C CB . TRP A 245 ? 0.6578 0.4612 0.6059 0.1008 -0.0727 -0.0157 245 TRP A CB 1833 C CG . TRP A 245 ? 0.6772 0.4794 0.6143 0.1127 -0.0713 -0.0283 245 TRP A CG 1834 C CD1 . TRP A 245 ? 0.6942 0.4883 0.6298 0.1252 -0.0699 -0.0355 245 TRP A CD1 1835 C CD2 . TRP A 245 ? 0.6815 0.4885 0.6038 0.1145 -0.0720 -0.0358 245 TRP A CD2 1836 N NE1 . TRP A 245 ? 0.7103 0.5032 0.6293 0.1328 -0.0682 -0.0471 245 TRP A NE1 1837 C CE2 . TRP A 245 ? 0.7029 0.5027 0.6121 0.1269 -0.0706 -0.0469 245 TRP A CE2 1838 C CE3 . TRP A 245 ? 0.6663 0.4818 0.5835 0.1090 -0.0744 -0.0347 245 TRP A CE3 1839 C CZ2 . TRP A 245 ? 0.7163 0.5150 0.6035 0.1332 -0.0726 -0.0559 245 TRP A CZ2 1840 C CZ3 . TRP A 245 ? 0.6813 0.4967 0.5794 0.1174 -0.0777 -0.0438 245 TRP A CZ3 1841 C CH2 . TRP A 245 ? 0.7052 0.5111 0.5866 0.1289 -0.0773 -0.0538 245 TRP A CH2 1842 N N . TYR A 246 ? 0.6407 0.4415 0.5976 0.0665 -0.0761 -0.0063 246 TYR A N 1843 C CA . TYR A 246 ? 0.6317 0.4358 0.5903 0.0536 -0.0731 0.0038 246 TYR A CA 1844 C C . TYR A 246 ? 0.6130 0.4360 0.5677 0.0569 -0.0685 0.0085 246 TYR A C 1845 O O . TYR A 246 ? 0.6084 0.4406 0.5584 0.0635 -0.0681 0.0015 246 TYR A O 1846 C CB . TYR A 246 ? 0.6363 0.4385 0.6008 0.0386 -0.0728 -0.0029 246 TYR A CB 1847 C CG . TYR A 246 ? 0.6348 0.4418 0.5994 0.0249 -0.0672 0.0051 246 TYR A CG 1848 C CD1 . TYR A 246 ? 0.6549 0.4419 0.6128 0.0129 -0.0650 0.0148 246 TYR A CD1 1849 C CD2 . TYR A 246 ? 0.6314 0.4592 0.5988 0.0251 -0.0641 0.0028 246 TYR A CD2 1850 C CE1 . TYR A 246 ? 0.6604 0.4499 0.6142 -0.0002 -0.0587 0.0215 246 TYR A CE1 1851 C CE2 . TYR A 246 ? 0.6332 0.4645 0.5996 0.0133 -0.0577 0.0087 246 TYR A CE2 1852 C CZ . TYR A 246 ? 0.6456 0.4588 0.6054 -0.0001 -0.0545 0.0176 246 TYR A CZ 1853 O OH . TYR A 246 ? 0.6510 0.4662 0.6060 -0.0123 -0.0471 0.0226 246 TYR A OH 1854 N N . LEU A 247 ? 0.6065 0.4316 0.5596 0.0524 -0.0659 0.0203 247 LEU A N 1855 C CA . LEU A 247 ? 0.5955 0.4335 0.5427 0.0521 -0.0604 0.0252 247 LEU A CA 1856 C C . LEU A 247 ? 0.5922 0.4290 0.5376 0.0397 -0.0589 0.0351 247 LEU A C 1857 O O . LEU A 247 ? 0.6021 0.4309 0.5486 0.0366 -0.0628 0.0419 247 LEU A O 1858 C CB . LEU A 247 ? 0.5960 0.4420 0.5424 0.0615 -0.0574 0.0267 247 LEU A CB 1859 C CG . LEU A 247 ? 0.5902 0.4448 0.5268 0.0587 -0.0494 0.0305 247 LEU A CG 1860 C CD1 . LEU A 247 ? 0.5950 0.4461 0.5164 0.0668 -0.0457 0.0236 247 LEU A CD1 1861 C CD2 . LEU A 247 ? 0.5902 0.4573 0.5337 0.0590 -0.0456 0.0344 247 LEU A CD2 1862 N N . GLN A 248 ? 0.5825 0.4243 0.5216 0.0341 -0.0539 0.0357 248 GLN A N 1863 C CA . GLN A 248 ? 0.5800 0.4197 0.5136 0.0223 -0.0514 0.0441 248 GLN A CA 1864 C C . GLN A 248 ? 0.5739 0.4199 0.4985 0.0217 -0.0463 0.0479 248 GLN A C 1865 O O . GLN A 248 ? 0.5745 0.4222 0.4921 0.0279 -0.0421 0.0437 248 GLN A O 1866 C CB . GLN A 248 ? 0.5829 0.4195 0.5164 0.0124 -0.0481 0.0408 248 GLN A CB 1867 C CG . GLN A 248 ? 0.5752 0.4206 0.5071 0.0161 -0.0436 0.0334 248 GLN A CG 1868 C CD . GLN A 248 ? 0.5739 0.4228 0.5120 0.0065 -0.0391 0.0278 248 GLN A CD 1869 O OE1 . GLN A 248 ? 0.5654 0.4188 0.4990 0.0060 -0.0339 0.0257 248 GLN A OE1 1870 N NE2 . GLN A 248 ? 0.5726 0.4183 0.5205 -0.0018 -0.0398 0.0243 248 GLN A NE2 1871 N N . ALA A 249 ? 0.5723 0.4193 0.4943 0.0139 -0.0474 0.0557 249 ALA A N 1872 C CA . ALA A 249 ? 0.5699 0.4211 0.4828 0.0081 -0.0420 0.0585 249 ALA A CA 1873 C C . ALA A 249 ? 0.5739 0.4169 0.4754 -0.0040 -0.0402 0.0622 249 ALA A C 1874 O O . ALA A 249 ? 0.5808 0.4187 0.4813 -0.0100 -0.0454 0.0670 249 ALA A O 1875 C CB . ALA A 249 ? 0.5702 0.4346 0.4918 0.0080 -0.0452 0.0614 249 ALA A CB 1876 N N . THR A 250 ? 0.5733 0.4113 0.4624 -0.0067 -0.0325 0.0599 250 THR A N 1877 C CA . THR A 250 ? 0.5815 0.4109 0.4582 -0.0172 -0.0286 0.0613 250 THR A CA 1878 C C . THR A 250 ? 0.5891 0.4158 0.4525 -0.0272 -0.0262 0.0649 250 THR A C 1879 O O . THR A 250 ? 0.5905 0.4216 0.4538 -0.0264 -0.0244 0.0646 250 THR A O 1880 C CB . THR A 250 ? 0.5853 0.4101 0.4575 -0.0119 -0.0219 0.0539 250 THR A CB 1881 O OG1 . THR A 250 ? 0.5894 0.4069 0.4485 -0.0057 -0.0173 0.0521 250 THR A OG1 1882 C CG2 . THR A 250 ? 0.5794 0.4119 0.4682 -0.0028 -0.0251 0.0471 250 THR A CG2 1883 N N . LEU A 251 ? 0.5985 0.4175 0.4492 -0.0384 -0.0253 0.0673 251 LEU A N 1884 C CA . LEU A 251 ? 0.6094 0.4222 0.4434 -0.0496 -0.0220 0.0682 251 LEU A CA 1885 C C . LEU A 251 ? 0.6240 0.4213 0.4389 -0.0563 -0.0143 0.0657 251 LEU A C 1886 O O . LEU A 251 ? 0.6281 0.4222 0.4396 -0.0610 -0.0149 0.0672 251 LEU A O 1887 C CB . LEU A 251 ? 0.6125 0.4353 0.4491 -0.0581 -0.0323 0.0731 251 LEU A CB 1888 C CG . LEU A 251 ? 0.6192 0.4420 0.4443 -0.0710 -0.0303 0.0714 251 LEU A CG 1889 C CD1 . LEU A 251 ? 0.6127 0.4418 0.4455 -0.0689 -0.0235 0.0677 251 LEU A CD1 1890 C CD2 . LEU A 251 ? 0.6250 0.4610 0.4531 -0.0788 -0.0438 0.0744 251 LEU A CD2 1891 N N . ASP A 252 ? 0.6329 0.4177 0.4330 -0.0566 -0.0058 0.0616 252 ASP A N 1892 C CA . ASP A 252 ? 0.6515 0.4202 0.4317 -0.0619 0.0024 0.0576 252 ASP A CA 1893 C C . ASP A 252 ? 0.6707 0.4322 0.4326 -0.0790 0.0004 0.0602 252 ASP A C 1894 O O . ASP A 252 ? 0.6778 0.4405 0.4370 -0.0860 -0.0020 0.0611 252 ASP A O 1895 C CB . ASP A 252 ? 0.6619 0.4145 0.4301 -0.0520 0.0110 0.0516 252 ASP A CB 1896 C CG . ASP A 252 ? 0.6866 0.4225 0.4358 -0.0537 0.0202 0.0455 252 ASP A CG 1897 O OD1 . ASP A 252 ? 0.7095 0.4284 0.4359 -0.0662 0.0239 0.0454 252 ASP A OD1 1898 O OD2 . ASP A 252 ? 0.6786 0.4203 0.4373 -0.0425 0.0241 0.0391 252 ASP A OD2 1899 N N . VAL A 253 ? 0.6854 0.4403 0.4342 -0.0870 0.0021 0.0602 253 VAL A N 1900 C CA . VAL A 253 ? 0.7095 0.4560 0.4361 -0.1031 -0.0016 0.0619 253 VAL A CA 1901 C C . VAL A 253 ? 0.7369 0.4649 0.4385 -0.1094 0.0090 0.0572 253 VAL A C 1902 O O . VAL A 253 ? 0.7327 0.4615 0.4398 -0.1033 0.0174 0.0542 253 VAL A O 1903 C CB . VAL A 253 ? 0.7073 0.4659 0.4391 -0.1077 -0.0170 0.0699 253 VAL A CB 1904 C CG1 . VAL A 253 ? 0.6895 0.4686 0.4437 -0.1043 -0.0277 0.0720 253 VAL A CG1 1905 C CG2 . VAL A 253 ? 0.6981 0.4570 0.4367 -0.1018 -0.0170 0.0740 253 VAL A CG2 1906 N N . GLU A 254 ? 0.7678 0.4810 0.4432 -0.1225 0.0097 0.0547 254 GLU A N 1907 C CA . GLU A 254 ? 0.8032 0.4975 0.4505 -0.1299 0.0198 0.0497 254 GLU A CA 1908 C C . GLU A 254 ? 0.8192 0.5147 0.4556 -0.1381 0.0130 0.0566 254 GLU A C 1909 O O . GLU A 254 ? 0.8295 0.5290 0.4596 -0.1453 -0.0026 0.0629 254 GLU A O 1910 C CB . GLU A 254 ? 0.8332 0.5071 0.4516 -0.1422 0.0222 0.0439 254 GLU A CB 1911 C CG . GLU A 254 ? 0.8428 0.5002 0.4578 -0.1346 0.0335 0.0363 254 GLU A CG 1912 C CD . GLU A 254 ? 0.8796 0.5091 0.4602 -0.1486 0.0385 0.0291 254 GLU A CD 1913 N N . ALA A 255 ? 0.8275 0.5196 0.4615 -0.1365 0.0247 0.0549 255 ALA A N 1914 C CA . ALA A 255 ? 0.8492 0.5334 0.4646 -0.1457 0.0223 0.0619 255 ALA A CA 1915 C C . ALA A 255 ? 0.8837 0.5528 0.4634 -0.1588 0.0100 0.0660 255 ALA A C 1916 O O . ALA A 255 ? 0.9118 0.5639 0.4620 -0.1680 0.0179 0.0594 255 ALA A O 1917 C CB . ALA A 255 ? 0.8642 0.5411 0.4708 -0.1491 0.0434 0.0549 255 ALA A CB 1918 N N . GLY A 256 ? 0.8817 0.5582 0.4654 -0.1578 -0.0104 0.0757 256 GLY A N 1919 C CA . GLY A 256 ? 0.9102 0.5800 0.4669 -0.1672 -0.0279 0.0787 256 GLY A CA 1920 C C . GLY A 256 ? 0.8888 0.5839 0.4731 -0.1612 -0.0490 0.0815 256 GLY A C 1921 O O . GLY A 256 ? 0.9110 0.6084 0.4830 -0.1631 -0.0695 0.0866 256 GLY A O 1922 N N . GLU A 257 ? 0.8503 0.5650 0.4712 -0.1534 -0.0442 0.0774 257 GLU A N 1923 C CA . GLU A 257 ? 0.8276 0.5701 0.4795 -0.1481 -0.0596 0.0782 257 GLU A CA 1924 C C . GLU A 257 ? 0.8092 0.5627 0.4826 -0.1337 -0.0696 0.0869 257 GLU A C 1925 O O . GLU A 257 ? 0.7913 0.5696 0.4933 -0.1261 -0.0818 0.0874 257 GLU A O 1926 C CB . GLU A 257 ? 0.8036 0.5565 0.4793 -0.1464 -0.0478 0.0708 257 GLU A CB 1927 C CG . GLU A 257 ? 0.8245 0.5609 0.4784 -0.1597 -0.0369 0.0616 257 GLU A CG 1928 C CD . GLU A 257 ? 0.8097 0.5426 0.4771 -0.1546 -0.0217 0.0565 257 GLU A CD 1929 O OE1 . GLU A 257 ? 0.7754 0.5194 0.4677 -0.1404 -0.0192 0.0597 257 GLU A OE1 1930 O OE2 . GLU A 257 ? 0.8328 0.5479 0.4818 -0.1647 -0.0128 0.0491 257 GLU A OE2 1931 N N . GLU A 258 ? 0.8181 0.5522 0.4772 -0.1311 -0.0628 0.0926 258 GLU A N 1932 C CA . GLU A 258 ? 0.8053 0.5417 0.4819 -0.1187 -0.0671 0.0996 258 GLU A CA 1933 C C . GLU A 258 ? 0.8201 0.5613 0.4961 -0.1110 -0.0914 0.1074 258 GLU A C 1934 O O . GLU A 258 ? 0.7987 0.5561 0.5040 -0.0976 -0.0992 0.1091 258 GLU A O 1935 C CB . GLU A 258 ? 0.8204 0.5323 0.4780 -0.1228 -0.0519 0.1021 258 GLU A CB 1936 C CG . GLU A 258 ? 0.7991 0.5148 0.4688 -0.1244 -0.0295 0.0922 258 GLU A CG 1937 C CD . GLU A 258 ? 0.8286 0.5230 0.4680 -0.1365 -0.0126 0.0892 258 GLU A CD 1938 O OE1 . GLU A 258 ? 0.8686 0.5434 0.4703 -0.1470 -0.0168 0.0931 258 GLU A OE1 1939 O OE2 . GLU A 258 ? 0.8117 0.5107 0.4653 -0.1350 0.0049 0.0816 258 GLU A OE2 1940 N N . ALA A 259 ? 0.8600 0.5867 0.5014 -0.1178 -0.1042 0.1113 259 ALA A N 1941 C CA . ALA A 259 ? 0.8809 0.6112 0.5179 -0.1076 -0.1310 0.1181 259 ALA A CA 1942 C C . ALA A 259 ? 0.8581 0.6307 0.5313 -0.1029 -0.1463 0.1102 259 ALA A C 1943 O O . ALA A 259 ? 0.8418 0.6312 0.5252 -0.1146 -0.1383 0.1003 259 ALA A O 1944 C CB . ALA A 259 ? 0.9359 0.6343 0.5186 -0.1154 -0.1415 0.1247 259 ALA A CB 1945 N N . GLY A 260 ? 0.8569 0.6455 0.5491 -0.0861 -0.1670 0.1135 260 GLY A N 1946 C CA . GLY A 260 ? 0.8349 0.6702 0.5678 -0.0806 -0.1811 0.1043 260 GLY A CA 1947 C C . GLY A 260 ? 0.7878 0.6493 0.5668 -0.0741 -0.1669 0.0984 260 GLY A C 1948 O O . GLY A 260 ? 0.7716 0.6729 0.5887 -0.0676 -0.1757 0.0908 260 GLY A O 1949 N N . LEU A 261 ? 0.7674 0.6081 0.5427 -0.0763 -0.1449 0.1007 261 LEU A N 1950 C CA . LEU A 261 ? 0.7259 0.5838 0.5366 -0.0684 -0.1321 0.0964 261 LEU A CA 1951 C C . LEU A 261 ? 0.7244 0.5805 0.5486 -0.0484 -0.1418 0.1018 261 LEU A C 1952 O O . LEU A 261 ? 0.7532 0.5844 0.5531 -0.0417 -0.1546 0.1108 261 LEU A O 1953 C CB . LEU A 261 ? 0.7101 0.5480 0.5114 -0.0762 -0.1080 0.0953 261 LEU A CB 1954 C CG . LEU A 261 ? 0.7036 0.5440 0.4988 -0.0918 -0.0946 0.0876 261 LEU A CG 1955 C CD1 . LEU A 261 ? 0.6903 0.5086 0.4740 -0.0941 -0.0743 0.0868 261 LEU A CD1 1956 C CD2 . LEU A 261 ? 0.6845 0.5560 0.5107 -0.0925 -0.0926 0.0796 261 LEU A CD2 1957 N N . ALA A 262 ? 0.6939 0.5720 0.5526 -0.0390 -0.1352 0.0963 262 ALA A N 1958 C CA . ALA A 262 ? 0.6930 0.5698 0.5668 -0.0193 -0.1425 0.0990 262 ALA A CA 1959 C C . ALA A 262 ? 0.6626 0.5486 0.5602 -0.0149 -0.1257 0.0931 262 ALA A C 1960 O O . ALA A 262 ? 0.6414 0.5469 0.5529 -0.0231 -0.1132 0.0857 262 ALA A O 1961 C CB . ALA A 262 ? 0.7022 0.6085 0.5980 -0.0051 -0.1640 0.0960 262 ALA A CB 1962 N N . CYS A 263 ? 0.6638 0.5318 0.5620 -0.0025 -0.1256 0.0962 263 CYS A N 1963 C CA . CYS A 263 ? 0.6402 0.5173 0.5601 0.0049 -0.1138 0.0898 263 CYS A CA 1964 C C . CYS A 263 ? 0.6379 0.5364 0.5851 0.0241 -0.1240 0.0854 263 CYS A C 1965 O O . CYS A 263 ? 0.6607 0.5432 0.6025 0.0378 -0.1377 0.0902 263 CYS A O 1966 C CB . CYS A 263 ? 0.6432 0.4892 0.5486 0.0042 -0.1050 0.0924 263 CYS A CB 1967 S SG . CYS A 263 ? 0.6274 0.4847 0.5545 0.0123 -0.0919 0.0830 263 CYS A SG 1968 N N . ARG A 264 ? 0.6156 0.5475 0.5895 0.0251 -0.1159 0.0761 264 ARG A N 1969 C CA . ARG A 264 ? 0.6133 0.5743 0.6183 0.0422 -0.1225 0.0688 264 ARG A CA 1970 C C . ARG A 264 ? 0.5997 0.5586 0.6145 0.0508 -0.1091 0.0628 264 ARG A C 1971 O O . ARG A 264 ? 0.5831 0.5475 0.5978 0.0410 -0.0922 0.0584 264 ARG A O 1972 C CB . ARG A 264 ? 0.6051 0.6106 0.6349 0.0345 -0.1221 0.0603 264 ARG A CB 1973 C CG . ARG A 264 ? 0.6148 0.6587 0.6809 0.0528 -0.1338 0.0516 264 ARG A CG 1974 C CD . ARG A 264 ? 0.6155 0.7057 0.7064 0.0421 -0.1379 0.0427 264 ARG A CD 1975 N NE . ARG A 264 ? 0.6304 0.7614 0.7589 0.0625 -0.1538 0.0334 264 ARG A NE 1976 C CZ . ARG A 264 ? 0.6485 0.7854 0.7784 0.0762 -0.1807 0.0360 264 ARG A CZ 1977 N NH1 . ARG A 264 ? 0.6652 0.7672 0.7572 0.0693 -0.1934 0.0482 264 ARG A NH1 1978 N NH2 . ARG A 264 ? 0.6541 0.8318 0.8221 0.0981 -0.1950 0.0255 264 ARG A NH2 1979 N N . VAL A 265 ? 0.6115 0.5582 0.6306 0.0696 -0.1172 0.0627 265 VAL A N 1980 C CA . VAL A 265 ? 0.6045 0.5443 0.6288 0.0786 -0.1065 0.0563 265 VAL A CA 1981 C C . VAL A 265 ? 0.6067 0.5752 0.6609 0.0979 -0.1090 0.0463 265 VAL A C 1982 O O . VAL A 265 ? 0.6284 0.5956 0.6902 0.1152 -0.1252 0.0471 265 VAL A O 1983 C CB . VAL A 265 ? 0.6209 0.5167 0.6227 0.0828 -0.1103 0.0619 265 VAL A CB 1984 C CG1 . VAL A 265 ? 0.6166 0.5064 0.6232 0.0915 -0.1009 0.0534 265 VAL A CG1 1985 C CG2 . VAL A 265 ? 0.6195 0.4917 0.5958 0.0637 -0.1056 0.0695 265 VAL A CG2 1986 N N . LYS A 266 ? 0.5895 0.5816 0.6583 0.0958 -0.0925 0.0365 266 LYS A N 1987 C CA . LYS A 266 ? 0.5914 0.6120 0.6889 0.1133 -0.0900 0.0245 266 LYS A CA 1988 C C . LYS A 266 ? 0.5936 0.5938 0.6820 0.1226 -0.0795 0.0189 266 LYS A C 1989 O O . LYS A 266 ? 0.5814 0.5682 0.6513 0.1109 -0.0658 0.0190 266 LYS A O 1990 C CB . LYS A 266 ? 0.5794 0.6475 0.7025 0.1030 -0.0776 0.0152 266 LYS A CB 1991 C CG . LYS A 266 ? 0.5834 0.6820 0.7256 0.0988 -0.0917 0.0158 266 LYS A CG 1992 C CD . LYS A 266 ? 0.5790 0.7265 0.7492 0.0846 -0.0777 0.0043 266 LYS A CD 1993 C CE . LYS A 266 ? 0.5857 0.7546 0.7642 0.0720 -0.0913 0.0063 266 LYS A CE 1994 N NZ . LYS A 266 ? 0.5964 0.8253 0.8163 0.0636 -0.0845 -0.0089 266 LYS A NZ 1995 N N . HIS A 267 ? 0.6091 0.6050 0.7083 0.1450 -0.0876 0.0134 267 HIS A N 1996 C CA . HIS A 267 ? 0.6184 0.5943 0.7092 0.1558 -0.0795 0.0058 267 HIS A CA 1997 C C . HIS A 267 ? 0.6360 0.6302 0.7522 0.1811 -0.0824 -0.0060 267 HIS A C 1998 O O . HIS A 267 ? 0.6495 0.6560 0.7836 0.1956 -0.0980 -0.0054 267 HIS A O 1999 C CB . HIS A 267 ? 0.6309 0.5561 0.6923 0.1544 -0.0877 0.0135 267 HIS A CB 2000 C CG . HIS A 267 ? 0.6360 0.5403 0.6843 0.1586 -0.0788 0.0051 267 HIS A CG 2001 N ND1 . HIS A 267 ? 0.6560 0.5364 0.7018 0.1763 -0.0846 -0.0010 267 HIS A ND1 2002 C CD2 . HIS A 267 ? 0.6213 0.5229 0.6555 0.1482 -0.0657 0.0012 267 HIS A CD2 2003 C CE1 . HIS A 267 ? 0.6559 0.5223 0.6881 0.1750 -0.0754 -0.0093 267 HIS A CE1 2004 N NE2 . HIS A 267 ? 0.6380 0.5176 0.6627 0.1589 -0.0648 -0.0077 267 HIS A NE2 2005 N N . SER A 268 ? 0.6419 0.6367 0.7576 0.1878 -0.0678 -0.0176 268 SER A N 2006 C CA . SER A 268 ? 0.6596 0.6710 0.7981 0.2125 -0.0664 -0.0318 268 SER A CA 2007 C C . SER A 268 ? 0.6888 0.6701 0.8253 0.2358 -0.0870 -0.0297 268 SER A C 2008 O O . SER A 268 ? 0.7030 0.7082 0.8671 0.2583 -0.0950 -0.0374 268 SER A O 2009 C CB . SER A 268 ? 0.6660 0.6683 0.7910 0.2139 -0.0476 -0.0431 268 SER A CB 2010 O OG . SER A 268 ? 0.6745 0.6267 0.7658 0.2111 -0.0527 -0.0385 268 SER A OG 2011 N N . SER A 269 ? 0.7034 0.6318 0.8068 0.2305 -0.0952 -0.0201 269 SER A N 2012 C CA . SER A 269 ? 0.7446 0.6300 0.8353 0.2497 -0.1121 -0.0175 269 SER A CA 2013 C C . SER A 269 ? 0.7595 0.6445 0.8551 0.2586 -0.1330 -0.0067 269 SER A C 2014 O O . SER A 269 ? 0.7984 0.6457 0.8810 0.2778 -0.1485 -0.0035 269 SER A O 2015 C CB . SER A 269 ? 0.7579 0.5876 0.8116 0.2360 -0.1122 -0.0115 269 SER A CB 2016 O OG . SER A 269 ? 0.7449 0.5671 0.7836 0.2116 -0.1142 0.0022 269 SER A OG 2017 N N . LEU A 270 ? 0.7342 0.6570 0.8443 0.2448 -0.1339 -0.0012 270 LEU A N 2018 C CA . LEU A 270 ? 0.7488 0.6769 0.8629 0.2523 -0.1550 0.0079 270 LEU A CA 2019 C C . LEU A 270 ? 0.7535 0.7359 0.9114 0.2766 -0.1622 -0.0048 270 LEU A C 2020 O O . LEU A 270 ? 0.7831 0.7609 0.9446 0.2988 -0.1848 -0.0019 270 LEU A O 2021 C CB . LEU A 270 ? 0.7215 0.6596 0.8259 0.2238 -0.1537 0.0194 270 LEU A CB 2022 C CG . LEU A 270 ? 0.7136 0.6069 0.7805 0.1998 -0.1458 0.0301 270 LEU A CG 2023 C CD1 . LEU A 270 ? 0.6893 0.6047 0.7549 0.1732 -0.1377 0.0356 270 LEU A CD1 2024 C CD2 . LEU A 270 ? 0.7481 0.5828 0.7800 0.2032 -0.1608 0.0427 270 LEU A CD2 2025 N N . GLY A 271 ? 0.7286 0.7618 0.9185 0.2723 -0.1427 -0.0196 271 GLY A N 2026 C CA . GLY A 271 ? 0.7299 0.8237 0.9687 0.2929 -0.1438 -0.0364 271 GLY A CA 2027 C C . GLY A 271 ? 0.7218 0.8629 0.9881 0.2902 -0.1589 -0.0353 271 GLY A C 2028 O O . GLY A 271 ? 0.7385 0.9161 1.0397 0.3165 -0.1741 -0.0456 271 GLY A O 2029 N N . GLY A 272 ? 0.6990 0.8403 0.9502 0.2597 -0.1556 -0.0244 272 GLY A N 2030 C CA . GLY A 272 ? 0.6901 0.8735 0.9627 0.2523 -0.1697 -0.0238 272 GLY A CA 2031 C C . GLY A 272 ? 0.7051 0.8443 0.9379 0.2445 -0.1903 -0.0042 272 GLY A C 2032 O O . GLY A 272 ? 0.6904 0.8467 0.9212 0.2217 -0.1916 0.0004 272 GLY A O 2033 N N . GLN A 273 ? 0.7393 0.8188 0.9374 0.2620 -0.2049 0.0067 273 GLN A N 2034 C CA . GLN A 273 ? 0.7632 0.7935 0.9175 0.2557 -0.2232 0.0257 273 GLN A CA 2035 C C . GLN A 273 ? 0.7439 0.7385 0.8620 0.2218 -0.2055 0.0374 273 GLN A C 2036 O O . GLN A 273 ? 0.7593 0.6981 0.8428 0.2190 -0.2009 0.0458 273 GLN A O 2037 C CB . GLN A 273 ? 0.8154 0.7883 0.9409 0.2848 -0.2427 0.0332 273 GLN A CB 2038 C CG . GLN A 273 ? 0.8427 0.8431 0.9952 0.3221 -0.2687 0.0252 273 GLN A CG 2039 N N . ASP A 274 ? 0.7130 0.7409 0.8405 0.1963 -0.1960 0.0365 274 ASP A N 2040 C CA . ASP A 274 ? 0.6932 0.6962 0.7927 0.1662 -0.1781 0.0446 274 ASP A CA 2041 C C . ASP A 274 ? 0.7174 0.6670 0.7711 0.1572 -0.1885 0.0615 274 ASP A C 2042 O O . ASP A 274 ? 0.7465 0.6894 0.7886 0.1646 -0.2096 0.0683 274 ASP A O 2043 C CB . ASP A 274 ? 0.6638 0.7115 0.7818 0.1429 -0.1665 0.0391 274 ASP A CB 2044 C CG . ASP A 274 ? 0.6515 0.7534 0.8131 0.1465 -0.1527 0.0220 274 ASP A CG 2045 O OD1 . ASP A 274 ? 0.6610 0.7613 0.8333 0.1626 -0.1449 0.0145 274 ASP A OD1 2046 O OD2 . ASP A 274 ? 0.6458 0.7909 0.8294 0.1315 -0.1483 0.0151 274 ASP A OD2 2047 N N . ILE A 275 ? 0.7092 0.6223 0.7366 0.1409 -0.1733 0.0672 275 ILE A N 2048 C CA . ILE A 275 ? 0.7300 0.5957 0.7155 0.1271 -0.1768 0.0813 275 ILE A CA 2049 C C . ILE A 275 ? 0.7138 0.5972 0.6932 0.1049 -0.1741 0.0848 275 ILE A C 2050 O O . ILE A 275 ? 0.6807 0.5897 0.6737 0.0895 -0.1577 0.0787 275 ILE A O 2051 C CB . ILE A 275 ? 0.7279 0.5563 0.6942 0.1165 -0.1608 0.0827 275 ILE A CB 2052 C CG1 . ILE A 275 ? 0.7556 0.5578 0.7215 0.1372 -0.1650 0.0792 275 ILE A CG1 2053 C CG2 . ILE A 275 ? 0.7477 0.5348 0.6752 0.0978 -0.1597 0.0949 275 ILE A CG2 2054 C CD1 . ILE A 275 ? 0.7449 0.5350 0.7110 0.1302 -0.1479 0.0722 275 ILE A CD1 2055 N N . ILE A 276 ? 0.7428 0.6086 0.6976 0.1042 -0.1908 0.0945 276 ILE A N 2056 C CA . ILE A 276 ? 0.7350 0.6111 0.6777 0.0834 -0.1899 0.0977 276 ILE A CA 2057 C C . ILE A 276 ? 0.7663 0.5896 0.6598 0.0711 -0.1908 0.1113 276 ILE A C 2058 O O . ILE A 276 ? 0.8104 0.6049 0.6766 0.0812 -0.2093 0.1204 276 ILE A O 2059 C CB . ILE A 276 ? 0.7426 0.6588 0.7040 0.0910 -0.2099 0.0933 276 ILE A CB 2060 C CG1 . ILE A 276 ? 0.7291 0.6907 0.7377 0.1127 -0.2155 0.0803 276 ILE A CG1 2061 C CG2 . ILE A 276 ? 0.7204 0.6629 0.6849 0.0662 -0.2012 0.0894 276 ILE A CG2 2062 N N . LEU A 277 ? 0.7466 0.5564 0.6277 0.0503 -0.1705 0.1121 277 LEU A N 2063 C CA . LEU A 277 ? 0.7720 0.5386 0.6104 0.0348 -0.1662 0.1223 277 LEU A CA 2064 C C . LEU A 277 ? 0.7721 0.5513 0.5980 0.0182 -0.1659 0.1231 277 LEU A C 2065 O O . LEU A 277 ? 0.7381 0.5462 0.5829 0.0070 -0.1533 0.1153 277 LEU A O 2066 C CB . LEU A 277 ? 0.7553 0.5035 0.5904 0.0225 -0.1446 0.1202 277 LEU A CB 2067 C CG . LEU A 277 ? 0.7610 0.4942 0.6066 0.0344 -0.1420 0.1171 277 LEU A CG 2068 C CD1 . LEU A 277 ? 0.7434 0.4691 0.5901 0.0194 -0.1217 0.1121 277 LEU A CD1 2069 C CD2 . LEU A 277 ? 0.8157 0.5030 0.6322 0.0453 -0.1556 0.1268 277 LEU A CD2 2070 N N . TYR A 278 ? 0.8161 0.5689 0.6056 0.0170 -0.1802 0.1326 278 TYR A N 2071 C CA . TYR A 278 ? 0.8231 0.5812 0.5929 0.0010 -0.1816 0.1334 278 TYR A CA 2072 C C . TYR A 278 ? 0.8384 0.5583 0.5697 -0.0191 -0.1641 0.1392 278 TYR A C 2073 O O . TYR A 278 ? 0.8755 0.5507 0.5717 -0.0197 -0.1644 0.1490 278 TYR A O 2074 C CB . TYR A 278 ? 0.8653 0.6213 0.6168 0.0126 -0.2100 0.1386 278 TYR A CB 2075 C CG . TYR A 278 ? 0.8531 0.6634 0.6501 0.0276 -0.2262 0.1282 278 TYR A CG 2076 C CD1 . TYR A 278 ? 0.8677 0.6863 0.6860 0.0542 -0.2422 0.1272 278 TYR A CD1 2077 C CD2 . TYR A 278 ? 0.8342 0.6875 0.6536 0.0144 -0.2240 0.1177 278 TYR A CD2 2078 C CE1 . TYR A 278 ? 0.8542 0.7291 0.7194 0.0677 -0.2551 0.1151 278 TYR A CE1 2079 C CE2 . TYR A 278 ? 0.8190 0.7262 0.6835 0.0244 -0.2361 0.1060 278 TYR A CE2 2080 C CZ . TYR A 278 ? 0.8300 0.7509 0.7194 0.0512 -0.2513 0.1042 278 TYR A CZ 2081 O OH . TYR A 278 ? 0.8222 0.8026 0.7609 0.0606 -0.2614 0.0902 278 TYR A OH 2082 N N . TRP A 279 ? 0.8117 0.5481 0.5490 -0.0359 -0.1475 0.1324 279 TRP A N 2083 C CA . TRP A 279 ? 0.8261 0.5345 0.5317 -0.0549 -0.1294 0.1347 279 TRP A CA 2084 C C . TRP A 279 ? 0.8781 0.5542 0.5333 -0.0616 -0.1402 0.1441 279 TRP A C 2085 O O . TRP A 279 ? 0.8850 0.5743 0.5313 -0.0656 -0.1508 0.1421 279 TRP A O 2086 C CB . TRP A 279 ? 0.7918 0.5243 0.5133 -0.0673 -0.1124 0.1246 279 TRP A CB 2087 C CG . TRP A 279 ? 0.8140 0.5231 0.5099 -0.0836 -0.0922 0.1241 279 TRP A CG 2088 C CD1 . TRP A 279 ? 0.8485 0.5394 0.5074 -0.0976 -0.0888 0.1259 279 TRP A CD1 2089 C CD2 . TRP A 279 ? 0.8098 0.5137 0.5166 -0.0873 -0.0726 0.1199 279 TRP A CD2 2090 N NE1 . TRP A 279 ? 0.8553 0.5314 0.5032 -0.1095 -0.0662 0.1227 279 TRP A NE1 2091 C CE2 . TRP A 279 ? 0.8342 0.5203 0.5133 -0.1035 -0.0567 0.1185 279 TRP A CE2 2092 C CE3 . TRP A 279 ? 0.7811 0.4960 0.5192 -0.0786 -0.0673 0.1154 279 TRP A CE3 2093 C CZ2 . TRP A 279 ? 0.8295 0.5134 0.5165 -0.1107 -0.0358 0.1120 279 TRP A CZ2 2094 C CZ3 . TRP A 279 ? 0.7754 0.4864 0.5190 -0.0861 -0.0487 0.1094 279 TRP A CZ3 2095 C CH2 . TRP A 279 ? 0.7985 0.4965 0.5191 -0.1019 -0.0331 0.1073 279 TRP A CH2 2096 N N . GLY A 280 ? 0.9178 0.5491 0.5375 -0.0638 -0.1374 0.1539 280 GLY A N 2097 C CA . GLY A 280 ? 0.9758 0.5657 0.5371 -0.0714 -0.1447 0.1644 280 GLY A CA 2098 C C . GLY A 280 ? 1.0232 0.5820 0.5568 -0.0536 -0.1700 0.1765 280 GLY A C 2099 O O . GLY A 280 ? 1.0798 0.5999 0.5587 -0.0568 -0.1801 0.1866 280 GLY A O 2100 N N . SER A 281 ? 1.0043 0.5774 0.5724 -0.0335 -0.1807 0.1753 281 SER A N 2101 C CA . SER A 281 ? 1.0558 0.5974 0.6007 -0.0118 -0.2052 0.1858 281 SER A CA 2102 C C . SER A 281 ? 1.1145 0.5873 0.6081 -0.0194 -0.1945 0.1982 281 SER A C 2103 O O . SER A 281 ? 1.0987 0.5615 0.5966 -0.0378 -0.1672 0.1950 281 SER A O 2104 C CB . SER A 281 ? 1.0194 0.5963 0.6179 0.0119 -0.2161 0.1786 281 SER A CB 2105 O OG . SER A 281 ? 0.9936 0.5628 0.6122 0.0082 -0.1956 0.1751 281 SER A OG 2106 N N . LEU A 282 ? 1.1867 0.6116 0.6311 -0.0051 -0.2165 0.2116 282 LEU A N 2107 C CA . LEU A 282 ? 1.2582 0.6080 0.6466 -0.0115 -0.2078 0.2249 282 LEU A CA 2108 C C . LEU A 282 ? 1.2340 0.5796 0.6544 -0.0128 -0.1900 0.2196 282 LEU A C 2109 O O . LEU A 282 ? 1.2715 0.5671 0.6585 -0.0307 -0.1700 0.2250 282 LEU A O 2110 C CB . LEU A 282 ? 1.3379 0.6376 0.6737 0.0129 -0.2399 0.2398 282 LEU A CB 2111 N N . HIS A 283 ? 1.1746 0.5734 0.6586 0.0044 -0.1963 0.2079 283 HIS A N 2112 C CA . HIS A 283 ? 1.1463 0.5500 0.6657 0.0041 -0.1808 0.1999 283 HIS A CA 2113 C C . HIS A 283 ? 1.0932 0.5282 0.6429 -0.0221 -0.1503 0.1883 283 HIS A C 2114 O O . HIS A 283 ? 1.0981 0.5110 0.6470 -0.0360 -0.1311 0.1855 283 HIS A O 2115 C CB . HIS A 283 ? 1.1074 0.5547 0.6792 0.0333 -0.1984 0.1912 283 HIS A CB 2116 C CG . HIS A 283 ? 1.0863 0.5340 0.6886 0.0359 -0.1856 0.1829 283 HIS A CG 2117 N ND1 . HIS A 283 ? 1.0225 0.5189 0.6741 0.0261 -0.1676 0.1687 283 HIS A ND1 2118 C CD2 . HIS A 283 ? 1.1262 0.5282 0.7130 0.0473 -0.1889 0.1862 283 HIS A CD2 2119 C CE1 . HIS A 283 ? 1.0205 0.5043 0.6866 0.0311 -0.1612 0.1631 283 HIS A CE1 2120 N NE2 . HIS A 283 ? 1.0803 0.5071 0.7088 0.0432 -0.1731 0.1731 283 HIS A NE2 2121 N N . HIS A 284 ? 1.0466 0.5321 0.6228 -0.0282 -0.1470 0.1805 284 HIS A N 2122 C CA . HIS A 284 ? 1.0008 0.5157 0.6026 -0.0494 -0.1209 0.1693 284 HIS A CA 2123 C C . HIS A 284 ? 1.0443 0.5192 0.6035 -0.0756 -0.0999 0.1738 284 HIS A C 2124 O O . HIS A 284 ? 1.0265 0.5068 0.6024 -0.0915 -0.0771 0.1653 284 HIS A O 2125 C CB . HIS A 284 ? 0.9534 0.5202 0.5824 -0.0492 -0.1234 0.1616 284 HIS A CB 2126 C CG . HIS A 284 ? 0.9147 0.5043 0.5602 -0.0682 -0.0989 0.1514 284 HIS A CG 2127 N ND1 . HIS A 284 ? 0.9007 0.4874 0.5600 -0.0790 -0.0784 0.1447 284 HIS A ND1 2128 C CD2 . HIS A 284 ? 0.8865 0.5034 0.5386 -0.0765 -0.0930 0.1455 284 HIS A CD2 2129 C CE1 . HIS A 284 ? 0.8620 0.4745 0.5361 -0.0907 -0.0619 0.1353 284 HIS A CE1 2130 N NE2 . HIS A 284 ? 0.8553 0.4833 0.5233 -0.0893 -0.0697 0.1361 284 HIS A NE2 2131 N N . ILE A 285 ? 1.1046 0.5410 0.6090 -0.0799 -0.1078 0.1861 285 ILE A N 2132 C CA . ILE A 285 ? 1.1599 0.5506 0.6135 -0.1054 -0.0874 0.1920 285 ILE A CA 2133 C C . ILE A 285 ? 1.2031 0.5459 0.6383 -0.1146 -0.0746 0.1959 285 ILE A C 2134 O O . ILE A 285 ? 1.2045 0.5429 0.6413 -0.1393 -0.0467 0.1890 285 ILE A O 2135 C CB . ILE A 285 ? 1.2242 0.5767 0.6140 -0.1052 -0.1021 0.2058 285 ILE A CB 2136 C CG1 . ILE A 285 ? 1.1854 0.5847 0.5922 -0.1025 -0.1110 0.1992 285 ILE A CG1 2137 C CG2 . ILE A 285 ? 1.2881 0.5858 0.6178 -0.1328 -0.0784 0.2127 285 ILE A CG2 2138 N N . LEU A 286 ? 1.2421 0.5503 0.6615 -0.0950 -0.0945 0.2052 286 LEU A N 2139 C CA . LEU A 286 ? 1.2934 0.5483 0.6910 -0.1031 -0.0840 0.2090 286 LEU A CA 2140 C C . LEU A 286 ? 1.2404 0.5316 0.6955 -0.1122 -0.0653 0.1920 286 LEU A C 2141 O O . LEU A 286 ? 1.2705 0.5317 0.7135 -0.1350 -0.0435 0.1891 286 LEU A O 2142 C CB . LEU A 286 ? 1.3411 0.5524 0.7129 -0.0748 -0.1118 0.2210 286 LEU A CB 2143 C CG . LEU A 286 ? 1.4294 0.5763 0.7250 -0.0661 -0.1307 0.2407 286 LEU A CG 2144 C CD1 . LEU A 286 ? 1.4564 0.5828 0.7473 -0.0286 -0.1635 0.2478 286 LEU A CD1 2145 C CD2 . LEU A 286 ? 1.5135 0.5819 0.7388 -0.0950 -0.1081 0.2516 286 LEU A CD2 2146 N N . ASP A 287 ? 1.1680 0.5228 0.6835 -0.0954 -0.0739 0.1803 287 ASP A N 2147 C CA . ASP A 287 ? 1.1178 0.5111 0.6870 -0.1006 -0.0597 0.1635 287 ASP A CA 2148 C C . ASP A 287 ? 1.0963 0.5151 0.6798 -0.1280 -0.0324 0.1523 287 ASP A C 2149 O O . ASP A 287 ? 1.0948 0.5134 0.6944 -0.1445 -0.0146 0.1419 287 ASP A O 2150 C CB . ASP A 287 ? 1.0525 0.5038 0.6747 -0.0758 -0.0750 0.1549 287 ASP A CB 2151 C CG . ASP A 287 ? 1.0640 0.5005 0.6928 -0.0505 -0.0942 0.1573 287 ASP A CG 2152 O OD1 . ASP A 287 ? 1.1294 0.5069 0.7188 -0.0491 -0.0987 0.1669 287 ASP A OD1 2153 O OD2 . ASP A 287 ? 1.0109 0.4929 0.6824 -0.0317 -0.1036 0.1491 287 ASP A OD2 2154 N N . ALA A 288 ? 1.0822 0.5242 0.6609 -0.1321 -0.0299 0.1529 288 ALA A N 2155 C CA . ALA A 288 ? 1.0583 0.5306 0.6541 -0.1529 -0.0055 0.1407 288 ALA A CA 2156 C C . ALA A 288 ? 1.1112 0.5461 0.6752 -0.1832 0.0201 0.1404 288 ALA A C 2157 O O . ALA A 288 ? 1.0884 0.5518 0.6835 -0.1997 0.0418 0.1248 288 ALA A O 2158 C CB . ALA A 288 ? 1.0404 0.5360 0.6297 -0.1497 -0.0094 0.1422 288 ALA A CB 2159 N N . GLN A 289 ? 1.1839 0.5557 0.6856 -0.1904 0.0179 0.1567 289 GLN A N 2160 C CA . GLN A 289 ? 1.2463 0.5731 0.7093 -0.2217 0.0444 0.1581 289 GLN A CA 2161 C C . GLN A 289 ? 1.2581 0.5668 0.7364 -0.2317 0.0532 0.1515 289 GLN A C 2162 O O . GLN A 289 ? 1.2928 0.5833 0.7607 -0.2621 0.0804 0.1450 289 GLN A O 2163 C CB . GLN A 289 ? 1.3320 0.5890 0.7135 -0.2270 0.0399 0.1789 289 GLN A CB 2164 C CG . GLN A 289 ? 1.3735 0.5859 0.7217 -0.2001 0.0077 0.1964 289 GLN A CG 2165 C CD . GLN A 289 ? 1.4587 0.6103 0.7266 -0.1997 -0.0023 0.2163 289 GLN A CD 2166 O OE1 . GLN A 289 ? 1.4629 0.6237 0.7100 -0.2096 0.0048 0.2168 289 GLN A OE1 2167 N NE2 . GLN A 289 ? 1.5297 0.6162 0.7492 -0.1864 -0.0203 0.2325 289 GLN A NE2 2168 N N . LYS A 290 ? 1.2307 0.5458 0.7346 -0.2073 0.0314 0.1516 290 LYS A N 2169 C CA . LYS A 290 ? 1.2355 0.5399 0.7603 -0.2141 0.0372 0.1423 290 LYS A CA 2170 C C . LYS A 290 ? 1.1641 0.5384 0.7584 -0.2209 0.0498 0.1183 290 LYS A C 2171 O O . LYS A 290 ? 1.1680 0.5414 0.7837 -0.2330 0.0588 0.1061 290 LYS A O 2172 C CB . LYS A 290 ? 1.2419 0.5236 0.7641 -0.1839 0.0095 0.1505 290 LYS A CB 2173 C CG . LYS A 290 ? 1.3304 0.5282 0.7808 -0.1796 -0.0009 0.1716 290 LYS A CG 2174 C CD . LYS A 290 ? 1.3295 0.5151 0.7847 -0.1438 -0.0303 0.1774 290 LYS A CD 2175 N N . MET A 291 ? 1.1040 0.5360 0.7309 -0.2124 0.0491 0.1111 291 MET A N 2176 C CA . MET A 291 ? 1.0412 0.5385 0.7292 -0.2150 0.0588 0.0891 291 MET A CA 2177 C C . MET A 291 ? 1.0272 0.5561 0.7219 -0.2294 0.0782 0.0813 291 MET A C 2178 O O . MET A 291 ? 0.9837 0.5541 0.7010 -0.2136 0.0715 0.0776 291 MET A O 2179 C CB . MET A 291 ? 0.9786 0.5187 0.7076 -0.1838 0.0366 0.0846 291 MET A CB 2180 C CG . MET A 291 ? 0.9672 0.5089 0.6810 -0.1606 0.0170 0.0987 291 MET A CG 2181 S SD . MET A 291 ? 0.9116 0.5009 0.6722 -0.1291 -0.0035 0.0919 291 MET A SD 2182 C CE . MET A 291 ? 0.8554 0.5041 0.6555 -0.1322 0.0092 0.0751 291 MET A CE 2183 N N . VAL A 292 ? 1.0710 0.5771 0.7436 -0.2603 0.1038 0.0783 292 VAL A N 2184 C CA . VAL A 292 ? 1.0609 0.5992 0.7437 -0.2762 0.1266 0.0669 292 VAL A CA 2185 C C . VAL A 292 ? 1.0499 0.6252 0.7787 -0.2979 0.1490 0.0427 292 VAL A C 2186 O O . VAL A 292 ? 1.0730 0.6290 0.8059 -0.3110 0.1522 0.0386 292 VAL A O 2187 C CB . VAL A 292 ? 1.1267 0.6142 0.7439 -0.2949 0.1410 0.0817 292 VAL A CB 2188 C CG1 . VAL A 292 ? 1.1145 0.5976 0.7056 -0.2723 0.1209 0.0963 292 VAL A CG1 2189 C CG2 . VAL A 292 ? 1.2005 0.6129 0.7628 -0.3121 0.1448 0.0964 292 VAL A CG2 2190 N N . TRP A 293 ? 1.0171 0.6465 0.7818 -0.3009 0.1636 0.0253 293 TRP A N 2191 C CA . TRP A 293 ? 0.9967 0.6778 0.8180 -0.3155 0.1805 -0.0017 293 TRP A CA 2192 C C . TRP A 293 ? 0.9795 0.7098 0.8267 -0.3206 0.2007 -0.0186 293 TRP A C 2193 O O . TRP A 293 ? 0.9690 0.6997 0.7973 -0.3061 0.1968 -0.0105 293 TRP A O 2194 C CB . TRP A 293 ? 0.9427 0.6632 0.8152 -0.2916 0.1573 -0.0127 293 TRP A CB 2195 C CG . TRP A 293 ? 0.8843 0.6414 0.7780 -0.2570 0.1371 -0.0122 293 TRP A CG 2196 C CD1 . TRP A 293 ? 0.8754 0.6096 0.7367 -0.2368 0.1208 0.0073 293 TRP A CD1 2197 C CD2 . TRP A 293 ? 0.8336 0.6539 0.7832 -0.2393 0.1310 -0.0327 293 TRP A CD2 2198 N NE1 . TRP A 293 ? 0.8271 0.6031 0.7188 -0.2107 0.1077 0.0006 293 TRP A NE1 2199 C CE2 . TRP A 293 ? 0.8020 0.6282 0.7450 -0.2101 0.1130 -0.0228 293 TRP A CE2 2200 C CE3 . TRP A 293 ? 0.8187 0.6910 0.8224 -0.2452 0.1381 -0.0593 293 TRP A CE3 2201 C CZ2 . TRP A 293 ? 0.7589 0.6330 0.7407 -0.1861 0.1028 -0.0365 293 TRP A CZ2 2202 C CZ3 . TRP A 293 ? 0.7696 0.6943 0.8147 -0.2182 0.1250 -0.0736 293 TRP A CZ3 2203 C CH2 . TRP A 293 ? 0.7438 0.6650 0.7744 -0.1888 0.1080 -0.0611 293 TRP A CH2 2204 N N . ASN A 294 ? 0.9773 0.7507 0.8697 -0.3405 0.2218 -0.0439 294 ASN A N 2205 C CA . ASN A 294 ? 0.9670 0.7919 0.8902 -0.3464 0.2442 -0.0644 294 ASN A CA 2206 C C . ASN A 294 ? 0.9095 0.7844 0.8676 -0.3098 0.2269 -0.0723 294 ASN A C 2207 O O . ASN A 294 ? 0.9025 0.8137 0.8793 -0.3090 0.2431 -0.0870 294 ASN A O 2208 C CB . ASN A 294 ? 0.9751 0.8429 0.9479 -0.3751 0.2687 -0.0929 294 ASN A CB 2209 C CG . ASN A 294 ? 0.9268 0.8455 0.9630 -0.3593 0.2484 -0.1118 294 ASN A CG 2210 O OD1 . ASN A 294 ? 0.8912 0.8037 0.9276 -0.3296 0.2176 -0.1012 294 ASN A OD1 2211 N ND2 . ASN A 294 ? 0.9221 0.8929 1.0122 -0.3802 0.2664 -0.1411 294 ASN A ND2 2212 N N . HIS A 295 ? 0.8744 0.7475 0.8380 -0.2801 0.1954 -0.0626 295 HIS A N 2213 C CA . HIS A 295 ? 0.8288 0.7355 0.8145 -0.2449 0.1767 -0.0659 295 HIS A CA 2214 C C . HIS A 295 ? 0.7976 0.7744 0.8474 -0.2335 0.1797 -0.0953 295 HIS A C 2215 O O . HIS A 295 ? 0.7775 0.7797 0.8387 -0.2115 0.1767 -0.1016 295 HIS A O 2216 C CB . HIS A 295 ? 0.8400 0.7213 0.7827 -0.2378 0.1793 -0.0513 295 HIS A CB 2217 C CG . HIS A 295 ? 0.8472 0.6781 0.7427 -0.2273 0.1584 -0.0241 295 HIS A CG 2218 N ND1 . HIS A 295 ? 0.8934 0.6704 0.7425 -0.2452 0.1598 -0.0057 295 HIS A ND1 2219 C CD2 . HIS A 295 ? 0.8201 0.6475 0.7081 -0.2007 0.1357 -0.0134 295 HIS A CD2 2220 C CE1 . HIS A 295 ? 0.8880 0.6360 0.7079 -0.2279 0.1372 0.0138 295 HIS A CE1 2221 N NE2 . HIS A 295 ? 0.8389 0.6181 0.6830 -0.2027 0.1235 0.0091 295 HIS A NE2 2222 N N . ARG A 296 ? 0.7989 0.8055 0.8892 -0.2479 0.1846 -0.1140 296 ARG A N 2223 C CA . ARG A 296 ? 0.7689 0.8452 0.9244 -0.2328 0.1791 -0.1428 296 ARG A CA 2224 C C . ARG A 296 ? 0.7584 0.8465 0.9417 -0.2313 0.1606 -0.1505 296 ARG A C 2225 O O . ARG A 296 ? 0.7878 0.8428 0.9543 -0.2571 0.1667 -0.1442 296 ARG A O 2226 C CB . ARG A 296 ? 0.7839 0.9067 0.9755 -0.2545 0.2097 -0.1689 296 ARG A CB 2227 C CG . ARG A 296 ? 0.8166 0.9391 1.0195 -0.2971 0.2330 -0.1800 296 ARG A CG 2228 C CD . ARG A 296 ? 0.8227 1.0077 1.0756 -0.3152 0.2622 -0.2118 296 ARG A CD 2229 N NE . ARG A 296 ? 0.8398 1.0465 1.1266 -0.3509 0.2779 -0.2315 296 ARG A NE 2230 N N . HIS A 297 ? 0.7250 0.8544 0.9452 -0.2009 0.1377 -0.1636 297 HIS A N 2231 C CA . HIS A 297 ? 0.7021 0.8616 0.9356 -0.1676 0.1285 -0.1695 297 HIS A CA 2232 C C . HIS A 297 ? 0.6901 0.8090 0.8836 -0.1394 0.1047 -0.1449 297 HIS A C 2233 O O . HIS A 297 ? 0.6719 0.7970 0.8749 -0.1185 0.0810 -0.1457 297 HIS A O 2234 C CB . HIS A 297 ? 0.6797 0.9083 0.9757 -0.1497 0.1166 -0.2004 297 HIS A CB 2235 C CG . HIS A 297 ? 0.6855 0.9609 1.0303 -0.1799 0.1360 -0.2281 297 HIS A CG 2236 N ND1 . HIS A 297 ? 0.6913 0.9580 1.0432 -0.2076 0.1378 -0.2319 297 HIS A ND1 2237 C CD2 . HIS A 297 ? 0.6826 1.0158 1.0736 -0.1873 0.1552 -0.2553 297 HIS A CD2 2238 C CE1 . HIS A 297 ? 0.7002 1.0165 1.0999 -0.2337 0.1581 -0.2600 297 HIS A CE1 2239 N NE2 . HIS A 297 ? 0.6931 1.0536 1.1196 -0.2216 0.1692 -0.2752 297 HIS A NE2 2240 N N . HIS A 298 ? 0.7047 0.7828 0.8529 -0.1406 0.1118 -0.1240 298 HIS A N 2241 C CA . HIS A 298 ? 0.6957 0.7379 0.8070 -0.1177 0.0928 -0.1018 298 HIS A CA 2242 C C . HIS A 298 ? 0.6740 0.7426 0.8025 -0.0822 0.0760 -0.1106 298 HIS A C 2243 O O . HIS A 298 ? 0.6714 0.7821 0.8333 -0.0727 0.0813 -0.1318 298 HIS A O 2244 C CB . HIS A 298 ? 0.7167 0.7186 0.7813 -0.1279 0.1051 -0.0829 298 HIS A CB 2245 C CG . HIS A 298 ? 0.7267 0.7480 0.7959 -0.1235 0.1203 -0.0938 298 HIS A CG 2246 N ND1 . HIS A 298 ? 0.7470 0.7945 0.8370 -0.1436 0.1453 -0.1113 298 HIS A ND1 2247 C CD2 . HIS A 298 ? 0.7226 0.7391 0.7772 -0.1016 0.1155 -0.0908 298 HIS A CD2 2248 C CE1 . HIS A 298 ? 0.7501 0.8100 0.8394 -0.1321 0.1547 -0.1190 298 HIS A CE1 2249 N NE2 . HIS A 298 ? 0.7388 0.7777 0.8052 -0.1065 0.1364 -0.1065 298 HIS A NE2 2250 N N . HIS A 299 ? 0.6639 0.7064 0.7681 -0.0623 0.0565 -0.0949 299 HIS A N 2251 C CA . HIS A 299 ? 0.6532 0.7066 0.7603 -0.0291 0.0406 -0.0992 299 HIS A CA 2252 C C . HIS A 299 ? 0.6631 0.7085 0.7524 -0.0199 0.0503 -0.0975 299 HIS A C 2253 O O . HIS A 299 ? 0.6714 0.6790 0.7220 -0.0259 0.0543 -0.0790 299 HIS A O 2254 C CB . HIS A 299 ? 0.6440 0.6670 0.7250 -0.0152 0.0215 -0.0821 299 HIS A CB 2255 N N . HIS A 300 ? 0.6648 0.7469 0.7833 -0.0050 0.0535 -0.1184 300 HIS A N 2256 C CA . HIS A 300 ? 0.6794 0.7552 0.7836 0.0046 0.0644 -0.1206 300 HIS A CA 2257 C C . HIS A 300 ? 0.6825 0.7379 0.7641 0.0378 0.0475 -0.1152 300 HIS A C 2258 O O . HIS A 300 ? 0.6850 0.6966 0.7248 0.0376 0.0439 -0.0950 300 HIS A O 2259 C CB . HIS A 300 ? 0.6848 0.8106 0.8322 0.0040 0.0796 -0.1476 300 HIS A CB 2260 N N . ILE B 1 ? 0.8322 0.8614 0.8210 0.1751 -0.0460 0.0433 1 ILE B N 2261 C CA . ILE B 1 ? 0.8266 0.9150 0.8457 0.2018 -0.0429 0.0521 1 ILE B CA 2262 C C . ILE B 1 ? 0.7759 0.9192 0.8159 0.1932 -0.0295 0.0299 1 ILE B C 2263 O O . ILE B 1 ? 0.7425 0.9553 0.8004 0.1746 -0.0321 0.0314 1 ILE B O 2264 C CB . ILE B 1 ? 0.8813 0.9243 0.8973 0.2473 -0.0401 0.0609 1 ILE B CB 2265 N N . GLN B 2 ? 0.7743 0.8840 0.8085 0.2043 -0.0160 0.0099 2 GLN B N 2266 C CA . GLN B 2 ? 0.7312 0.8822 0.7803 0.1939 -0.0036 -0.0099 2 GLN B CA 2267 C C . GLN B 2 ? 0.7341 0.8259 0.7628 0.1929 0.0071 -0.0315 2 GLN B C 2268 O O . GLN B 2 ? 0.7670 0.8232 0.7879 0.2208 0.0148 -0.0351 2 GLN B O 2269 C CB . GLN B 2 ? 0.7308 0.9443 0.8091 0.2193 0.0024 -0.0022 2 GLN B CB 2270 C CG . GLN B 2 ? 0.6871 0.9715 0.7857 0.1954 0.0074 -0.0122 2 GLN B CG 2271 C CD . GLN B 2 ? 0.6865 1.0486 0.8165 0.2155 0.0104 0.0011 2 GLN B CD 2272 O OE1 . GLN B 2 ? 0.7088 1.0682 0.8463 0.2521 0.0193 0.0043 2 GLN B OE1 2273 N NE2 . GLN B 2 ? 0.6614 1.0966 0.8089 0.1917 0.0031 0.0086 2 GLN B NE2 2274 N N . LYS B 3 ? 0.7023 0.7852 0.7213 0.1620 0.0076 -0.0461 3 LYS B N 2275 C CA . LYS B 3 ? 0.7058 0.7325 0.7028 0.1560 0.0142 -0.0629 3 LYS B CA 2276 C C . LYS B 3 ? 0.6848 0.7300 0.6901 0.1566 0.0278 -0.0794 3 LYS B C 2277 O O . LYS B 3 ? 0.6552 0.7556 0.6803 0.1448 0.0301 -0.0820 3 LYS B O 2278 C CB . LYS B 3 ? 0.6907 0.7006 0.6737 0.1257 0.0075 -0.0673 3 LYS B CB 2279 C CG . LYS B 3 ? 0.7152 0.7120 0.6877 0.1190 -0.0061 -0.0495 3 LYS B CG 2280 C CD . LYS B 3 ? 0.7824 0.7128 0.7318 0.1359 -0.0107 -0.0396 3 LYS B CD 2281 C CE . LYS B 3 ? 0.8110 0.7247 0.7461 0.1226 -0.0260 -0.0195 3 LYS B CE 2282 N NZ . LYS B 3 ? 0.8002 0.7041 0.7204 0.0911 -0.0297 -0.0247 3 LYS B NZ 2283 N N . THR B 4 ? 0.7041 0.7017 0.6910 0.1671 0.0357 -0.0901 4 THR B N 2284 C CA . THR B 4 ? 0.6909 0.7031 0.6817 0.1689 0.0490 -0.1040 4 THR B CA 2285 C C . THR B 4 ? 0.6670 0.6615 0.6463 0.1404 0.0499 -0.1169 4 THR B C 2286 O O . THR B 4 ? 0.6778 0.6238 0.6353 0.1310 0.0449 -0.1197 4 THR B O 2287 C CB . THR B 4 ? 0.7330 0.7081 0.7081 0.1993 0.0588 -0.1095 4 THR B CB 2288 O OG1 . THR B 4 ? 0.7579 0.7470 0.7444 0.2309 0.0578 -0.0963 4 THR B OG1 2289 C CG2 . THR B 4 ? 0.7251 0.7282 0.7057 0.2015 0.0734 -0.1217 4 THR B CG2 2290 N N . PRO B 5 ? 0.6376 0.6718 0.6311 0.1261 0.0552 -0.1229 5 PRO B N 2291 C CA . PRO B 5 ? 0.6190 0.6382 0.6039 0.1017 0.0552 -0.1329 5 PRO B CA 2292 C C . PRO B 5 ? 0.6354 0.6121 0.5985 0.1034 0.0615 -0.1417 5 PRO B C 2293 O O . PRO B 5 ? 0.6511 0.6323 0.6117 0.1178 0.0715 -0.1452 5 PRO B O 2294 C CB . PRO B 5 ? 0.5989 0.6684 0.6022 0.0888 0.0591 -0.1344 5 PRO B CB 2295 C CG . PRO B 5 ? 0.6090 0.7192 0.6278 0.1096 0.0656 -0.1277 5 PRO B CG 2296 C CD . PRO B 5 ? 0.6256 0.7238 0.6442 0.1308 0.0599 -0.1182 5 PRO B CD 2297 N N . GLN B 6 ? 0.6333 0.5748 0.5808 0.0886 0.0558 -0.1448 6 GLN B N 2298 C CA . GLN B 6 ? 0.6495 0.5560 0.5756 0.0842 0.0596 -0.1519 6 GLN B CA 2299 C C . GLN B 6 ? 0.6300 0.5494 0.5608 0.0656 0.0610 -0.1555 6 GLN B C 2300 O O . GLN B 6 ? 0.6117 0.5385 0.5507 0.0527 0.0547 -0.1543 6 GLN B O 2301 C CB . GLN B 6 ? 0.6671 0.5286 0.5711 0.0788 0.0512 -0.1502 6 GLN B CB 2302 C CG . GLN B 6 ? 0.6993 0.5354 0.5929 0.0940 0.0472 -0.1445 6 GLN B CG 2303 C CD . GLN B 6 ? 0.7306 0.5562 0.6171 0.1192 0.0572 -0.1495 6 GLN B CD 2304 O OE1 . GLN B 6 ? 0.7515 0.5516 0.6171 0.1218 0.0643 -0.1595 6 GLN B OE1 2305 N NE2 . GLN B 6 ? 0.7325 0.5813 0.6358 0.1391 0.0582 -0.1423 6 GLN B NE2 2306 N N . ILE B 7 ? 0.6382 0.5584 0.5617 0.0654 0.0693 -0.1598 7 ILE B N 2307 C CA . ILE B 7 ? 0.6251 0.5579 0.5526 0.0481 0.0706 -0.1602 7 ILE B CA 2308 C C . ILE B 7 ? 0.6367 0.5377 0.5430 0.0390 0.0695 -0.1617 7 ILE B C 2309 O O . ILE B 7 ? 0.6592 0.5451 0.5470 0.0454 0.0752 -0.1657 7 ILE B O 2310 C CB . ILE B 7 ? 0.6269 0.5996 0.5652 0.0494 0.0803 -0.1597 7 ILE B CB 2311 C CG1 . ILE B 7 ? 0.6154 0.6260 0.5745 0.0617 0.0813 -0.1562 7 ILE B CG1 2312 C CG2 . ILE B 7 ? 0.6200 0.6038 0.5624 0.0262 0.0786 -0.1570 7 ILE B CG2 2313 C CD1 . ILE B 7 ? 0.6165 0.6717 0.5856 0.0726 0.0927 -0.1547 7 ILE B CD1 2314 N N . GLN B 8 ? 0.6271 0.5190 0.5350 0.0254 0.0622 -0.1587 8 GLN B N 2315 C CA . GLN B 8 ? 0.6376 0.5066 0.5289 0.0161 0.0588 -0.1564 8 GLN B CA 2316 C C . GLN B 8 ? 0.6361 0.5100 0.5317 0.0030 0.0578 -0.1517 8 GLN B C 2317 O O . GLN B 8 ? 0.6284 0.5022 0.5356 -0.0009 0.0525 -0.1502 8 GLN B O 2318 C CB . GLN B 8 ? 0.6336 0.4859 0.5214 0.0149 0.0493 -0.1535 8 GLN B CB 2319 C CG . GLN B 8 ? 0.6558 0.4909 0.5296 0.0215 0.0479 -0.1554 8 GLN B CG 2320 C CD . GLN B 8 ? 0.6592 0.4910 0.5352 0.0176 0.0381 -0.1502 8 GLN B CD 2321 O OE1 . GLN B 8 ? 0.6414 0.4920 0.5354 0.0200 0.0358 -0.1489 8 GLN B OE1 2322 N NE2 . GLN B 8 ? 0.6768 0.4881 0.5326 0.0094 0.0323 -0.1471 8 GLN B NE2 2323 N N . VAL B 9 ? 0.6485 0.5238 0.5318 -0.0036 0.0629 -0.1497 9 VAL B N 2324 C CA . VAL B 9 ? 0.6530 0.5288 0.5362 -0.0186 0.0608 -0.1420 9 VAL B CA 2325 C C . VAL B 9 ? 0.6663 0.5213 0.5340 -0.0250 0.0544 -0.1345 9 VAL B C 2326 O O . VAL B 9 ? 0.6814 0.5325 0.5306 -0.0255 0.0570 -0.1358 9 VAL B O 2327 C CB . VAL B 9 ? 0.6610 0.5634 0.5424 -0.0261 0.0703 -0.1408 9 VAL B CB 2328 C CG1 . VAL B 9 ? 0.6690 0.5700 0.5523 -0.0455 0.0658 -0.1307 9 VAL B CG1 2329 C CG2 . VAL B 9 ? 0.6473 0.5801 0.5440 -0.0158 0.0774 -0.1470 9 VAL B CG2 2330 N N . TYR B 10 ? 0.6658 0.5073 0.5397 -0.0292 0.0459 -0.1268 10 TYR B N 2331 C CA . TYR B 10 ? 0.6767 0.5041 0.5411 -0.0326 0.0378 -0.1162 10 TYR B CA 2332 C C . TYR B 10 ? 0.6924 0.5042 0.5629 -0.0369 0.0311 -0.1061 10 TYR B C 2333 O O . TYR B 10 ? 0.6931 0.5001 0.5728 -0.0383 0.0321 -0.1103 10 TYR B O 2334 C CB . TYR B 10 ? 0.6639 0.4894 0.5308 -0.0232 0.0322 -0.1177 10 TYR B CB 2335 C CG . TYR B 10 ? 0.6451 0.4727 0.5308 -0.0122 0.0304 -0.1236 10 TYR B CG 2336 C CD1 . TYR B 10 ? 0.6285 0.4658 0.5214 -0.0070 0.0358 -0.1342 10 TYR B CD1 2337 C CD2 . TYR B 10 ? 0.6432 0.4658 0.5388 -0.0052 0.0236 -0.1183 10 TYR B CD2 2338 C CE1 . TYR B 10 ? 0.6161 0.4592 0.5235 0.0006 0.0340 -0.1394 10 TYR B CE1 2339 C CE2 . TYR B 10 ? 0.6293 0.4564 0.5388 0.0052 0.0236 -0.1261 10 TYR B CE2 2340 C CZ . TYR B 10 ? 0.6146 0.4526 0.5290 0.0061 0.0285 -0.1366 10 TYR B CZ 2341 O OH . TYR B 10 ? 0.5964 0.4426 0.5221 0.0142 0.0283 -0.1441 10 TYR B OH 2342 N N . SER B 11 ? 0.7092 0.5108 0.5724 -0.0393 0.0233 -0.0924 11 SER B N 2343 C CA . SER B 11 ? 0.7349 0.5137 0.5992 -0.0421 0.0161 -0.0799 11 SER B CA 2344 C C . SER B 11 ? 0.7405 0.5074 0.6148 -0.0248 0.0074 -0.0741 11 SER B C 2345 O O . SER B 11 ? 0.7284 0.5124 0.6048 -0.0175 0.0045 -0.0715 11 SER B O 2346 C CB . SER B 11 ? 0.7596 0.5379 0.6067 -0.0592 0.0138 -0.0638 11 SER B CB 2347 O OG . SER B 11 ? 0.7602 0.5498 0.5979 -0.0588 0.0092 -0.0553 11 SER B OG 2348 N N . ARG B 12 ? 0.7651 0.5029 0.6438 -0.0188 0.0034 -0.0721 12 ARG B N 2349 C CA . ARG B 12 ? 0.7785 0.5038 0.6678 0.0037 -0.0026 -0.0694 12 ARG B CA 2350 C C . ARG B 12 ? 0.7957 0.5252 0.6833 0.0095 -0.0118 -0.0477 12 ARG B C 2351 O O . ARG B 12 ? 0.7917 0.5371 0.6915 0.0289 -0.0155 -0.0439 12 ARG B O 2352 C CB . ARG B 12 ? 0.8125 0.4949 0.7003 0.0087 -0.0042 -0.0751 12 ARG B CB 2353 C CG . ARG B 12 ? 0.8361 0.4987 0.7320 0.0373 -0.0088 -0.0747 12 ARG B CG 2354 C CD . ARG B 12 ? 0.8093 0.5061 0.7211 0.0563 -0.0035 -0.0892 12 ARG B CD 2355 N NE . ARG B 12 ? 0.8393 0.5294 0.7605 0.0870 -0.0065 -0.0870 12 ARG B NE 2356 C CZ . ARG B 12 ? 0.8391 0.5543 0.7703 0.1020 -0.0121 -0.0693 12 ARG B CZ 2357 N NH1 . ARG B 12 ? 0.8182 0.5628 0.7477 0.0856 -0.0163 -0.0533 12 ARG B NH1 2358 N NH2 . ARG B 12 ? 0.8618 0.5754 0.8037 0.1341 -0.0134 -0.0680 12 ARG B NH2 2359 N N . HIS B 13 ? 0.8169 0.5384 0.6897 -0.0082 -0.0157 -0.0320 13 HIS B N 2360 C CA . HIS B 13 ? 0.8368 0.5652 0.7058 -0.0062 -0.0258 -0.0082 13 HIS B CA 2361 C C . HIS B 13 ? 0.8318 0.5846 0.6830 -0.0311 -0.0247 -0.0012 13 HIS B C 2362 O O . HIS B 13 ? 0.8233 0.5791 0.6649 -0.0475 -0.0156 -0.0131 13 HIS B O 2363 C CB . HIS B 13 ? 0.8860 0.5706 0.7510 -0.0007 -0.0347 0.0087 13 HIS B CB 2364 C CG . HIS B 13 ? 0.9038 0.5569 0.7808 0.0264 -0.0352 -0.0007 13 HIS B CG 2365 N ND1 . HIS B 13 ? 0.9023 0.5712 0.7965 0.0567 -0.0384 0.0024 13 HIS B ND1 2366 C CD2 . HIS B 13 ? 0.9274 0.5365 0.7998 0.0274 -0.0325 -0.0145 13 HIS B CD2 2367 C CE1 . HIS B 13 ? 0.9306 0.5647 0.8294 0.0784 -0.0362 -0.0107 13 HIS B CE1 2368 N NE2 . HIS B 13 ? 0.9500 0.5438 0.8340 0.0599 -0.0332 -0.0218 13 HIS B NE2 2369 N N . PRO B 14 ? 0.8405 0.6143 0.6864 -0.0334 -0.0335 0.0175 14 PRO B N 2370 C CA . PRO B 14 ? 0.8414 0.6369 0.6648 -0.0580 -0.0327 0.0229 14 PRO B CA 2371 C C . PRO B 14 ? 0.8598 0.6397 0.6669 -0.0782 -0.0280 0.0255 14 PRO B C 2372 O O . PRO B 14 ? 0.8905 0.6431 0.6975 -0.0793 -0.0347 0.0417 14 PRO B O 2373 C CB . PRO B 14 ? 0.8625 0.6741 0.6835 -0.0571 -0.0469 0.0500 14 PRO B CB 2374 C CG . PRO B 14 ? 0.8554 0.6710 0.7020 -0.0287 -0.0524 0.0530 14 PRO B CG 2375 C CD . PRO B 14 ? 0.8525 0.6348 0.7127 -0.0125 -0.0447 0.0351 14 PRO B CD 2376 N N . PRO B 15 ? 0.8458 0.6428 0.6388 -0.0936 -0.0163 0.0099 15 PRO B N 2377 C CA . PRO B 15 ? 0.8617 0.6581 0.6407 -0.1136 -0.0098 0.0119 15 PRO B CA 2378 C C . PRO B 15 ? 0.8968 0.6977 0.6566 -0.1318 -0.0189 0.0385 15 PRO B C 2379 O O . PRO B 15 ? 0.9008 0.7270 0.6421 -0.1423 -0.0193 0.0415 15 PRO B O 2380 C CB . PRO B 15 ? 0.8417 0.6642 0.6097 -0.1189 0.0047 -0.0105 15 PRO B CB 2381 C CG . PRO B 15 ? 0.8143 0.6368 0.5945 -0.1005 0.0056 -0.0267 15 PRO B CG 2382 C CD . PRO B 15 ? 0.8197 0.6373 0.6082 -0.0917 -0.0086 -0.0101 15 PRO B CD 2383 N N . GLU B 16 ? 0.9281 0.7013 0.6895 -0.1368 -0.0275 0.0583 16 GLU B N 2384 C CA . GLU B 16 ? 0.9664 0.7405 0.7093 -0.1553 -0.0381 0.0882 16 GLU B CA 2385 C C . GLU B 16 ? 0.9933 0.7563 0.7251 -0.1793 -0.0353 0.0965 16 GLU B C 2386 O O . GLU B 16 ? 1.0141 0.7367 0.7540 -0.1771 -0.0402 0.1010 16 GLU B O 2387 C CB . GLU B 16 ? 0.9912 0.7396 0.7443 -0.1377 -0.0556 0.1126 16 GLU B CB 2388 C CG . GLU B 16 ? 0.9655 0.7353 0.7327 -0.1154 -0.0590 0.1070 16 GLU B CG 2389 C CD . GLU B 16 ? 0.9914 0.7502 0.7701 -0.0962 -0.0759 0.1346 16 GLU B CD 2390 O OE1 . GLU B 16 ? 1.0304 0.7908 0.7952 -0.1090 -0.0875 0.1642 16 GLU B OE1 2391 O OE2 . GLU B 16 ? 0.9731 0.7260 0.7751 -0.0673 -0.0774 0.1277 16 GLU B OE2 2392 N N . ASN B 17 ? 0.9965 0.7969 0.7073 -0.2037 -0.0271 0.0976 17 ASN B N 2393 C CA . ASN B 17 ? 1.0159 0.8238 0.7160 -0.2304 -0.0215 0.1040 17 ASN B CA 2394 C C . ASN B 17 ? 1.0646 0.8265 0.7618 -0.2429 -0.0372 0.1329 17 ASN B C 2395 O O . ASN B 17 ? 1.0982 0.8417 0.7865 -0.2443 -0.0525 0.1605 17 ASN B O 2396 C CB . ASN B 17 ? 1.0237 0.8826 0.6978 -0.2539 -0.0129 0.1077 17 ASN B CB 2397 C CG . ASN B 17 ? 0.9838 0.8797 0.6558 -0.2424 0.0051 0.0751 17 ASN B CG 2398 O OD1 . ASN B 17 ? 0.9550 0.8587 0.6413 -0.2328 0.0179 0.0524 17 ASN B OD1 2399 N ND2 . ASN B 17 ? 0.9857 0.9025 0.6376 -0.2439 0.0055 0.0732 17 ASN B ND2 2400 N N . GLY B 18 ? 1.0736 0.8148 0.7768 -0.2521 -0.0345 0.1271 18 GLY B N 2401 C CA . GLY B 18 ? 1.1294 0.8168 0.8242 -0.2685 -0.0494 0.1521 18 GLY B CA 2402 C C . GLY B 18 ? 1.1496 0.7701 0.8559 -0.2393 -0.0629 0.1550 18 GLY B C 2403 O O . GLY B 18 ? 1.2077 0.7764 0.9025 -0.2446 -0.0792 0.1821 18 GLY B O 2404 N N . LYS B 19 ? 1.1063 0.7281 0.8342 -0.2074 -0.0560 0.1277 19 LYS B N 2405 C CA . LYS B 19 ? 1.1222 0.6890 0.8629 -0.1756 -0.0652 0.1250 19 LYS B CA 2406 C C . LYS B 19 ? 1.0927 0.6505 0.8491 -0.1618 -0.0552 0.0921 19 LYS B C 2407 O O . LYS B 19 ? 1.0371 0.6395 0.8076 -0.1508 -0.0427 0.0691 19 LYS B O 2408 C CB . LYS B 19 ? 1.1036 0.6879 0.8554 -0.1465 -0.0701 0.1312 19 LYS B CB 2409 N N . PRO B 20 ? 1.1354 0.6323 0.8864 -0.1639 -0.0616 0.0902 20 PRO B N 2410 C CA . PRO B 20 ? 1.1181 0.6016 0.8794 -0.1545 -0.0542 0.0606 20 PRO B CA 2411 C C . PRO B 20 ? 1.0648 0.5752 0.8496 -0.1177 -0.0463 0.0383 20 PRO B C 2412 O O . PRO B 20 ? 1.0681 0.5707 0.8605 -0.0901 -0.0520 0.0463 20 PRO B O 2413 C CB . PRO B 20 ? 1.1918 0.5887 0.9381 -0.1520 -0.0671 0.0670 20 PRO B CB 2414 C CG . PRO B 20 ? 1.2423 0.6074 0.9758 -0.1504 -0.0817 0.1013 20 PRO B CG 2415 C CD . PRO B 20 ? 1.2122 0.6424 0.9426 -0.1758 -0.0780 0.1176 20 PRO B CD 2416 N N . ASN B 21 ? 1.0182 0.5639 0.8145 -0.1186 -0.0339 0.0131 21 ASN B N 2417 C CA . ASN B 21 ? 0.9638 0.5451 0.7802 -0.0914 -0.0256 -0.0062 21 ASN B CA 2418 C C . ASN B 21 ? 0.9369 0.5272 0.7622 -0.0916 -0.0167 -0.0324 21 ASN B C 2419 O O . ASN B 21 ? 0.9612 0.5345 0.7772 -0.1139 -0.0171 -0.0352 21 ASN B O 2420 C CB . ASN B 21 ? 0.9261 0.5644 0.7439 -0.0970 -0.0192 -0.0021 21 ASN B CB 2421 C CG . ASN B 21 ? 0.8968 0.5607 0.7291 -0.0708 -0.0170 -0.0108 21 ASN B CG 2422 O OD1 . ASN B 21 ? 0.8790 0.5516 0.7249 -0.0557 -0.0111 -0.0309 21 ASN B OD1 2423 N ND2 . ASN B 21 ? 0.9075 0.5875 0.7353 -0.0688 -0.0226 0.0057 21 ASN B ND2 2424 N N . ILE B 22 ? 0.8902 0.5090 0.7321 -0.0695 -0.0098 -0.0496 22 ILE B N 2425 C CA . ILE B 22 ? 0.8606 0.4951 0.7117 -0.0685 -0.0019 -0.0725 22 ILE B CA 2426 C C . ILE B 22 ? 0.8072 0.4980 0.6688 -0.0669 0.0080 -0.0805 22 ILE B C 2427 O O . ILE B 22 ? 0.7838 0.4927 0.6504 -0.0524 0.0086 -0.0785 22 ILE B O 2428 C CB . ILE B 22 ? 0.8670 0.4759 0.7255 -0.0424 -0.0036 -0.0872 22 ILE B CB 2429 C CG1 . ILE B 22 ? 0.9336 0.4758 0.7762 -0.0435 -0.0125 -0.0837 22 ILE B CG1 2430 C CG2 . ILE B 22 ? 0.8303 0.4658 0.6986 -0.0411 0.0043 -0.1092 22 ILE B CG2 2431 C CD1 . ILE B 22 ? 0.9497 0.4615 0.7963 -0.0097 -0.0144 -0.0940 22 ILE B CD1 2432 N N . LEU B 23 ? 0.7917 0.5091 0.6550 -0.0825 0.0152 -0.0885 23 LEU B N 2433 C CA . LEU B 23 ? 0.7507 0.5147 0.6225 -0.0774 0.0251 -0.0971 23 LEU B CA 2434 C C . LEU B 23 ? 0.7282 0.5042 0.6138 -0.0647 0.0287 -0.1145 23 LEU B C 2435 O O . LEU B 23 ? 0.7363 0.5116 0.6244 -0.0742 0.0287 -0.1213 23 LEU B O 2436 C CB . LEU B 23 ? 0.7489 0.5460 0.6157 -0.0976 0.0324 -0.0926 23 LEU B CB 2437 C CG . LEU B 23 ? 0.7126 0.5503 0.5816 -0.0886 0.0432 -0.0992 23 LEU B CG 2438 C CD1 . LEU B 23 ? 0.7095 0.5413 0.5658 -0.0835 0.0417 -0.0923 23 LEU B CD1 2439 C CD2 . LEU B 23 ? 0.7041 0.5823 0.5725 -0.1035 0.0525 -0.0978 23 LEU B CD2 2440 N N . ASN B 24 ? 0.7051 0.4938 0.5976 -0.0462 0.0306 -0.1202 24 ASN B N 2441 C CA . ASN B 24 ? 0.6850 0.4882 0.5895 -0.0344 0.0332 -0.1338 24 ASN B CA 2442 C C . ASN B 24 ? 0.6631 0.5013 0.5725 -0.0341 0.0412 -0.1387 24 ASN B C 2443 O O . ASN B 24 ? 0.6587 0.5069 0.5616 -0.0323 0.0452 -0.1353 24 ASN B O 2444 C CB . ASN B 24 ? 0.6741 0.4722 0.5830 -0.0161 0.0296 -0.1350 24 ASN B CB 2445 C CG . ASN B 24 ? 0.7028 0.4700 0.6102 -0.0086 0.0228 -0.1316 24 ASN B CG 2446 O OD1 . ASN B 24 ? 0.7316 0.4720 0.6333 -0.0159 0.0204 -0.1331 24 ASN B OD1 2447 N ND2 . ASN B 24 ? 0.7005 0.4709 0.6117 0.0061 0.0193 -0.1264 24 ASN B ND2 2448 N N . CYS B 25 ? 0.6560 0.5117 0.5751 -0.0355 0.0433 -0.1466 25 CYS B N 2449 C CA . CYS B 25 ? 0.6381 0.5271 0.5652 -0.0286 0.0498 -0.1506 25 CYS B CA 2450 C C . CYS B 25 ? 0.6212 0.5157 0.5574 -0.0169 0.0473 -0.1579 25 CYS B C 2451 O O . CYS B 25 ? 0.6234 0.5217 0.5648 -0.0220 0.0446 -0.1634 25 CYS B O 2452 C CB . CYS B 25 ? 0.6423 0.5625 0.5751 -0.0415 0.0545 -0.1490 25 CYS B CB 2453 S SG . CYS B 25 ? 0.6301 0.5944 0.5750 -0.0254 0.0631 -0.1516 25 CYS B SG 2454 N N . TYR B 26 ? 0.6091 0.5031 0.5438 -0.0039 0.0477 -0.1577 26 TYR B N 2455 C CA . TYR B 26 ? 0.5950 0.4939 0.5356 0.0050 0.0442 -0.1612 26 TYR B CA 2456 C C . TYR B 26 ? 0.5862 0.5046 0.5311 0.0134 0.0472 -0.1607 26 TYR B C 2457 O O . TYR B 26 ? 0.5928 0.5021 0.5288 0.0202 0.0493 -0.1582 26 TYR B O 2458 C CB . TYR B 26 ? 0.5954 0.4772 0.5294 0.0099 0.0397 -0.1580 26 TYR B CB 2459 C CG . TYR B 26 ? 0.5857 0.4773 0.5244 0.0164 0.0359 -0.1592 26 TYR B CG 2460 C CD1 . TYR B 26 ? 0.5828 0.4861 0.5296 0.0176 0.0348 -0.1658 26 TYR B CD1 2461 C CD2 . TYR B 26 ? 0.5842 0.4735 0.5161 0.0186 0.0329 -0.1535 26 TYR B CD2 2462 C CE1 . TYR B 26 ? 0.5744 0.4934 0.5244 0.0222 0.0320 -0.1660 26 TYR B CE1 2463 C CE2 . TYR B 26 ? 0.5767 0.4795 0.5120 0.0207 0.0287 -0.1518 26 TYR B CE2 2464 C CZ . TYR B 26 ? 0.5681 0.4890 0.5136 0.0233 0.0288 -0.1576 26 TYR B CZ 2465 O OH . TYR B 26 ? 0.5653 0.5063 0.5134 0.0242 0.0254 -0.1551 26 TYR B OH 2466 N N . VAL B 27 ? 0.5771 0.5198 0.5333 0.0130 0.0468 -0.1628 27 VAL B N 2467 C CA . VAL B 27 ? 0.5715 0.5357 0.5344 0.0234 0.0484 -0.1595 27 VAL B CA 2468 C C . VAL B 27 ? 0.5650 0.5307 0.5292 0.0280 0.0423 -0.1579 27 VAL B C 2469 O O . VAL B 27 ? 0.5612 0.5343 0.5285 0.0213 0.0385 -0.1620 27 VAL B O 2470 C CB . VAL B 27 ? 0.5691 0.5712 0.5456 0.0187 0.0509 -0.1587 27 VAL B CB 2471 C CG1 . VAL B 27 ? 0.5647 0.5903 0.5492 0.0355 0.0542 -0.1525 27 VAL B CG1 2472 C CG2 . VAL B 27 ? 0.5768 0.5821 0.5516 0.0058 0.0552 -0.1592 27 VAL B CG2 2473 N N . THR B 28 ? 0.5696 0.5264 0.5285 0.0388 0.0413 -0.1521 28 THR B N 2474 C CA . THR B 28 ? 0.5677 0.5249 0.5249 0.0399 0.0343 -0.1470 28 THR B CA 2475 C C . THR B 28 ? 0.5785 0.5417 0.5376 0.0521 0.0327 -0.1384 28 THR B C 2476 O O . THR B 28 ? 0.5880 0.5574 0.5513 0.0634 0.0383 -0.1377 28 THR B O 2477 C CB . THR B 28 ? 0.5757 0.5040 0.5177 0.0362 0.0304 -0.1448 28 THR B CB 2478 O OG1 . THR B 28 ? 0.5962 0.4954 0.5232 0.0424 0.0322 -0.1426 28 THR B OG1 2479 C CG2 . THR B 28 ? 0.5715 0.4943 0.5127 0.0288 0.0315 -0.1503 28 THR B CG2 2480 N N . GLN B 29 ? 0.5821 0.5458 0.5381 0.0506 0.0252 -0.1305 29 GLN B N 2481 C CA . GLN B 29 ? 0.6015 0.5566 0.5534 0.0623 0.0209 -0.1188 29 GLN B CA 2482 C C . GLN B 29 ? 0.6011 0.5877 0.5695 0.0762 0.0234 -0.1141 29 GLN B C 2483 O O . GLN B 29 ? 0.6254 0.5972 0.5906 0.0948 0.0246 -0.1077 29 GLN B O 2484 C CB . GLN B 29 ? 0.6321 0.5366 0.5621 0.0691 0.0214 -0.1181 29 GLN B CB 2485 C CG . GLN B 29 ? 0.6430 0.5208 0.5548 0.0534 0.0138 -0.1146 29 GLN B CG 2486 N N . PHE B 30 ? 0.5795 0.6097 0.5642 0.0674 0.0239 -0.1171 30 PHE B N 2487 C CA . PHE B 30 ? 0.5758 0.6480 0.5783 0.0764 0.0252 -0.1110 30 PHE B CA 2488 C C . PHE B 30 ? 0.5674 0.6806 0.5793 0.0673 0.0169 -0.1032 30 PHE B C 2489 O O . PHE B 30 ? 0.5574 0.6749 0.5638 0.0502 0.0133 -0.1093 30 PHE B O 2490 C CB . PHE B 30 ? 0.5645 0.6580 0.5764 0.0711 0.0335 -0.1204 30 PHE B CB 2491 C CG . PHE B 30 ? 0.5477 0.6479 0.5583 0.0476 0.0326 -0.1316 30 PHE B CG 2492 C CD1 . PHE B 30 ? 0.5507 0.6139 0.5483 0.0399 0.0348 -0.1415 30 PHE B CD1 2493 C CD2 . PHE B 30 ? 0.5442 0.6862 0.5645 0.0335 0.0290 -0.1324 30 PHE B CD2 2494 C CE1 . PHE B 30 ? 0.5485 0.6108 0.5432 0.0228 0.0340 -0.1520 30 PHE B CE1 2495 C CE2 . PHE B 30 ? 0.5405 0.6781 0.5539 0.0128 0.0281 -0.1453 30 PHE B CE2 2496 C CZ . PHE B 30 ? 0.5485 0.6434 0.5492 0.0096 0.0310 -0.1552 30 PHE B CZ 2497 N N . HIS B 31 ? 0.5753 0.7214 0.6008 0.0806 0.0143 -0.0896 31 HIS B N 2498 C CA . HIS B 31 ? 0.5713 0.7624 0.6057 0.0732 0.0051 -0.0783 31 HIS B CA 2499 C C . HIS B 31 ? 0.5754 0.8132 0.6309 0.0893 0.0055 -0.0655 31 HIS B C 2500 O O . HIS B 31 ? 0.5943 0.8157 0.6529 0.1162 0.0091 -0.0575 31 HIS B O 2501 C CB . HIS B 31 ? 0.5879 0.7560 0.6104 0.0767 -0.0040 -0.0643 31 HIS B CB 2502 C CG . HIS B 31 ? 0.5866 0.7948 0.6097 0.0593 -0.0131 -0.0576 31 HIS B CG 2503 N ND1 . HIS B 31 ? 0.5794 0.7817 0.5890 0.0398 -0.0148 -0.0664 31 HIS B ND1 2504 C CD2 . HIS B 31 ? 0.5913 0.8510 0.6264 0.0585 -0.0207 -0.0428 31 HIS B CD2 2505 C CE1 . HIS B 31 ? 0.5789 0.8252 0.5896 0.0273 -0.0222 -0.0593 31 HIS B CE1 2506 N NE2 . HIS B 31 ? 0.5865 0.8676 0.6121 0.0368 -0.0267 -0.0443 31 HIS B NE2 2507 N N . PRO B 32 ? 0.5634 0.8613 0.6324 0.0736 0.0019 -0.0636 32 PRO B N 2508 C CA . PRO B 32 ? 0.5506 0.8729 0.6140 0.0423 -0.0020 -0.0749 32 PRO B CA 2509 C C . PRO B 32 ? 0.5429 0.8396 0.5965 0.0247 0.0055 -0.0975 32 PRO B C 2510 O O . PRO B 32 ? 0.5425 0.8118 0.5963 0.0347 0.0137 -0.1023 32 PRO B O 2511 C CB . PRO B 32 ? 0.5498 0.9450 0.6322 0.0364 -0.0073 -0.0629 32 PRO B CB 2512 C CG . PRO B 32 ? 0.5619 0.9716 0.6599 0.0684 -0.0096 -0.0397 32 PRO B CG 2513 C CD . PRO B 32 ? 0.5695 0.9219 0.6615 0.0910 0.0006 -0.0463 32 PRO B CD 2514 N N . PRO B 33 ? 0.5427 0.8459 0.5851 -0.0008 0.0025 -0.1112 33 PRO B N 2515 C CA . PRO B 33 ? 0.5462 0.8148 0.5757 -0.0156 0.0082 -0.1318 33 PRO B CA 2516 C C . PRO B 33 ? 0.5526 0.8390 0.5887 -0.0286 0.0114 -0.1352 33 PRO B C 2517 O O . PRO B 33 ? 0.5581 0.8081 0.5842 -0.0367 0.0163 -0.1477 33 PRO B O 2518 C CB . PRO B 33 ? 0.5531 0.8240 0.5662 -0.0350 0.0037 -0.1451 33 PRO B CB 2519 C CG . PRO B 33 ? 0.5539 0.8811 0.5744 -0.0412 -0.0046 -0.1322 33 PRO B CG 2520 C CD . PRO B 33 ? 0.5470 0.8847 0.5843 -0.0156 -0.0062 -0.1089 33 PRO B CD 2521 N N . HIS B 34 ? 0.5565 0.9016 0.6092 -0.0319 0.0080 -0.1223 34 HIS B N 2522 C CA . HIS B 34 ? 0.5668 0.9395 0.6266 -0.0486 0.0103 -0.1228 34 HIS B CA 2523 C C . HIS B 34 ? 0.5652 0.9191 0.6324 -0.0303 0.0206 -0.1199 34 HIS B C 2524 O O . HIS B 34 ? 0.5610 0.9279 0.6424 -0.0014 0.0247 -0.1075 34 HIS B O 2525 C CB . HIS B 34 ? 0.5665 1.0192 0.6452 -0.0571 0.0037 -0.1070 34 HIS B CB 2526 C CG . HIS B 34 ? 0.5773 1.0668 0.6628 -0.0798 0.0051 -0.1056 34 HIS B CG 2527 N ND1 . HIS B 34 ? 0.6004 1.0733 0.6656 -0.1181 0.0011 -0.1203 34 HIS B ND1 2528 C CD2 . HIS B 34 ? 0.5762 1.1184 0.6851 -0.0703 0.0101 -0.0907 34 HIS B CD2 2529 C CE1 . HIS B 34 ? 0.6080 1.1221 0.6832 -0.1357 0.0022 -0.1126 34 HIS B CE1 2530 N NE2 . HIS B 34 ? 0.5916 1.1539 0.6951 -0.1067 0.0084 -0.0946 34 HIS B NE2 2531 N N . ILE B 35 ? 0.5768 0.8972 0.6314 -0.0469 0.0246 -0.1317 35 ILE B N 2532 C CA . ILE B 35 ? 0.5776 0.8782 0.6341 -0.0342 0.0344 -0.1306 35 ILE B CA 2533 C C . ILE B 35 ? 0.5935 0.8864 0.6407 -0.0631 0.0356 -0.1365 35 ILE B C 2534 O O . ILE B 35 ? 0.6091 0.8630 0.6371 -0.0851 0.0306 -0.1487 35 ILE B O 2535 C CB . ILE B 35 ? 0.5741 0.8115 0.6180 -0.0129 0.0382 -0.1368 35 ILE B CB 2536 C CG1 . ILE B 35 ? 0.5771 0.7967 0.6199 -0.0004 0.0480 -0.1360 35 ILE B CG1 2537 C CG2 . ILE B 35 ? 0.5814 0.7699 0.6055 -0.0278 0.0340 -0.1511 35 ILE B CG2 2538 N N . GLU B 36 ? 0.5950 0.9255 0.6547 -0.0622 0.0423 -0.1272 36 GLU B N 2539 C CA . GLU B 36 ? 0.6125 0.9346 0.6624 -0.0891 0.0440 -0.1288 36 GLU B CA 2540 C C . GLU B 36 ? 0.6139 0.8850 0.6530 -0.0734 0.0522 -0.1329 36 GLU B C 2541 O O . GLU B 36 ? 0.6043 0.8848 0.6520 -0.0442 0.0609 -0.1289 36 GLU B O 2542 C CB . GLU B 36 ? 0.6140 1.0167 0.6834 -0.1005 0.0469 -0.1145 36 GLU B CB 2543 N N . ILE B 37 ? 0.6315 0.8462 0.6495 -0.0919 0.0488 -0.1410 37 ILE B N 2544 C CA . ILE B 37 ? 0.6353 0.8029 0.6414 -0.0811 0.0544 -0.1432 37 ILE B CA 2545 C C . ILE B 37 ? 0.6603 0.8163 0.6542 -0.1098 0.0537 -0.1393 37 ILE B C 2546 O O . ILE B 37 ? 0.6848 0.8134 0.6649 -0.1366 0.0451 -0.1431 37 ILE B O 2547 C CB . ILE B 37 ? 0.6339 0.7392 0.6265 -0.0691 0.0504 -0.1536 37 ILE B CB 2548 C CG1 . ILE B 37 ? 0.6149 0.7308 0.6172 -0.0431 0.0508 -0.1543 37 ILE B CG1 2549 C CG2 . ILE B 37 ? 0.6413 0.7034 0.6212 -0.0624 0.0542 -0.1535 37 ILE B CG2 2550 C CD1 . ILE B 37 ? 0.6171 0.6922 0.6092 -0.0383 0.0452 -0.1633 37 ILE B CD1 2551 N N . GLN B 38 ? 0.6617 0.8355 0.6576 -0.1044 0.0626 -0.1320 38 GLN B N 2552 C CA . GLN B 38 ? 0.6868 0.8574 0.6710 -0.1326 0.0624 -0.1243 38 GLN B CA 2553 C C . GLN B 38 ? 0.6927 0.8222 0.6624 -0.1226 0.0670 -0.1237 38 GLN B C 2554 O O . GLN B 38 ? 0.6767 0.8086 0.6494 -0.0942 0.0753 -0.1268 38 GLN B O 2555 C CB . GLN B 38 ? 0.6855 0.9373 0.6856 -0.1439 0.0691 -0.1123 38 GLN B CB 2556 C CG . GLN B 38 ? 0.6929 0.9913 0.7038 -0.1681 0.0616 -0.1081 38 GLN B CG 2557 C CD . GLN B 38 ? 0.6979 1.0873 0.7268 -0.1809 0.0681 -0.0933 38 GLN B CD 2558 O OE1 . GLN B 38 ? 0.7083 1.1151 0.7331 -0.1899 0.0752 -0.0851 38 GLN B OE1 2559 N NE2 . GLN B 38 ? 0.6890 1.1438 0.7388 -0.1822 0.0657 -0.0883 38 GLN B NE2 2560 N N . MET B 39 ? 0.7206 0.8097 0.6721 -0.1475 0.0605 -0.1191 39 MET B N 2561 C CA . MET B 39 ? 0.7300 0.7903 0.6669 -0.1451 0.0634 -0.1138 39 MET B CA 2562 C C . MET B 39 ? 0.7538 0.8447 0.6843 -0.1760 0.0651 -0.0990 39 MET B C 2563 O O . MET B 39 ? 0.7750 0.8744 0.7029 -0.2079 0.0578 -0.0926 39 MET B O 2564 C CB . MET B 39 ? 0.7459 0.7313 0.6667 -0.1436 0.0536 -0.1174 39 MET B CB 2565 C CG . MET B 39 ? 0.7219 0.6859 0.6488 -0.1137 0.0532 -0.1299 39 MET B CG 2566 S SD . MET B 39 ? 0.7484 0.6396 0.6603 -0.1060 0.0441 -0.1322 39 MET B SD 2567 C CE . MET B 39 ? 0.7474 0.6340 0.6494 -0.0999 0.0482 -0.1216 39 MET B CE 2568 N N . LEU B 40 ? 0.7518 0.8600 0.6770 -0.1690 0.0743 -0.0935 40 LEU B N 2569 C CA . LEU B 40 ? 0.7689 0.9250 0.6904 -0.1951 0.0793 -0.0788 40 LEU B CA 2570 C C . LEU B 40 ? 0.7913 0.9162 0.6903 -0.2053 0.0784 -0.0690 40 LEU B C 2571 O O . LEU B 40 ? 0.7833 0.8736 0.6738 -0.1825 0.0801 -0.0753 40 LEU B O 2572 C CB . LEU B 40 ? 0.7483 0.9857 0.6881 -0.1754 0.0959 -0.0812 40 LEU B CB 2573 C CG . LEU B 40 ? 0.7219 0.9947 0.6861 -0.1503 0.0995 -0.0908 40 LEU B CG 2574 C CD1 . LEU B 40 ? 0.7053 1.0249 0.6796 -0.1135 0.1168 -0.0972 40 LEU B CD1 2575 C CD2 . LEU B 40 ? 0.7316 1.0561 0.7106 -0.1786 0.0940 -0.0817 40 LEU B CD2 2576 N N . LYS B 41 ? 0.8219 0.9611 0.7101 -0.2427 0.0744 -0.0515 41 LYS B N 2577 C CA . LYS B 41 ? 0.8438 0.9766 0.7119 -0.2559 0.0756 -0.0379 41 LYS B CA 2578 C C . LYS B 41 ? 0.8445 1.0667 0.7179 -0.2688 0.0897 -0.0291 41 LYS B C 2579 O O . LYS B 41 ? 0.8602 1.1244 0.7387 -0.3014 0.0870 -0.0166 41 LYS B O 2580 C CB . LYS B 41 ? 0.8887 0.9585 0.7356 -0.2899 0.0581 -0.0211 41 LYS B CB 2581 C CG . LYS B 41 ? 0.9090 0.9510 0.7342 -0.2941 0.0556 -0.0076 41 LYS B CG 2582 C CD . LYS B 41 ? 0.9563 0.9241 0.7606 -0.3203 0.0366 0.0097 41 LYS B CD 2583 C CE . LYS B 41 ? 1.0050 0.9981 0.7929 -0.3662 0.0328 0.0355 41 LYS B CE 2584 N NZ . LYS B 41 ? 1.0610 0.9776 0.8231 -0.3856 0.0151 0.0566 41 LYS B NZ 2585 N N . ASN B 42 ? 0.8304 1.0834 0.7014 -0.2431 0.1049 -0.0368 42 ASN B N 2586 C CA . ASN B 42 ? 0.8316 1.1738 0.7065 -0.2457 0.1224 -0.0326 42 ASN B CA 2587 C C . ASN B 42 ? 0.8116 1.2310 0.7158 -0.2385 0.1313 -0.0360 42 ASN B C 2588 O O . ASN B 42 ? 0.8223 1.3231 0.7335 -0.2576 0.1399 -0.0239 42 ASN B O 2589 C CB . ASN B 42 ? 0.8684 1.2290 0.7240 -0.2902 0.1183 -0.0083 42 ASN B CB 2590 C CG . ASN B 42 ? 0.8926 1.1847 0.7200 -0.2961 0.1091 -0.0014 42 ASN B CG 2591 O OD1 . ASN B 42 ? 0.8907 1.1853 0.7054 -0.2747 0.1190 -0.0102 42 ASN B OD1 2592 N ND2 . ASN B 42 ? 0.9239 1.1534 0.7395 -0.3252 0.0894 0.0147 42 ASN B ND2 2593 N N . GLY B 43 ? 0.7849 1.1844 0.7069 -0.2115 0.1287 -0.0505 43 GLY B N 2594 C CA . GLY B 43 ? 0.7656 1.2371 0.7170 -0.2011 0.1352 -0.0524 43 GLY B CA 2595 C C . GLY B 43 ? 0.7705 1.2401 0.7309 -0.2357 0.1190 -0.0425 43 GLY B C 2596 O O . GLY B 43 ? 0.7497 1.2416 0.7315 -0.2223 0.1174 -0.0485 43 GLY B O 2597 N N . LYS B 44 ? 0.8036 1.2444 0.7448 -0.2817 0.1063 -0.0270 44 LYS B N 2598 C CA . LYS B 44 ? 0.8232 1.2438 0.7627 -0.3204 0.0889 -0.0191 44 LYS B CA 2599 C C . LYS B 44 ? 0.8221 1.1430 0.7518 -0.3073 0.0756 -0.0337 44 LYS B C 2600 O O . LYS B 44 ? 0.8285 1.0794 0.7410 -0.2937 0.0729 -0.0380 44 LYS B O 2601 C CB . LYS B 44 ? 0.8681 1.2840 0.7853 -0.3749 0.0793 0.0034 44 LYS B CB 2602 N N . LYS B 45 ? 0.8162 1.1370 0.7566 -0.3114 0.0677 -0.0405 45 LYS B N 2603 C CA . LYS B 45 ? 0.8135 1.0518 0.7462 -0.2958 0.0575 -0.0565 45 LYS B CA 2604 C C . LYS B 45 ? 0.8596 1.0067 0.7619 -0.3245 0.0416 -0.0529 45 LYS B C 2605 O O . LYS B 45 ? 0.9017 1.0480 0.7884 -0.3684 0.0334 -0.0374 45 LYS B O 2606 C CB . LYS B 45 ? 0.7963 1.0659 0.7470 -0.2919 0.0542 -0.0654 45 LYS B CB 2607 C CG . LYS B 45 ? 0.8288 1.1242 0.7745 -0.3413 0.0426 -0.0557 45 LYS B CG 2608 C CD . LYS B 45 ? 0.8172 1.1356 0.7770 -0.3358 0.0378 -0.0661 45 LYS B CD 2609 N N . ILE B 46 ? 0.8550 0.9260 0.7485 -0.2990 0.0372 -0.0660 46 ILE B N 2610 C CA . ILE B 46 ? 0.9009 0.8801 0.7669 -0.3156 0.0230 -0.0646 46 ILE B CA 2611 C C . ILE B 46 ? 0.9229 0.8675 0.7810 -0.3297 0.0121 -0.0773 46 ILE B C 2612 O O . ILE B 46 ? 0.8904 0.8421 0.7621 -0.3036 0.0150 -0.0940 46 ILE B O 2613 C CB . ILE B 46 ? 0.8915 0.8126 0.7519 -0.2804 0.0240 -0.0701 46 ILE B CB 2614 C CG1 . ILE B 46 ? 0.8722 0.8295 0.7353 -0.2713 0.0342 -0.0587 46 ILE B CG1 2615 C CG2 . ILE B 46 ? 0.9476 0.7750 0.7812 -0.2923 0.0094 -0.0670 46 ILE B CG2 2616 C CD1 . ILE B 46 ? 0.8508 0.7759 0.7137 -0.2347 0.0374 -0.0655 46 ILE B CD1 2617 N N . PRO B 47 ? 0.9821 0.8886 0.8152 -0.3734 -0.0009 -0.0691 47 PRO B N 2618 C CA . PRO B 47 ? 1.0166 0.8881 0.8347 -0.3944 -0.0120 -0.0821 47 PRO B CA 2619 C C . PRO B 47 ? 1.0338 0.8153 0.8368 -0.3663 -0.0168 -0.1022 47 PRO B C 2620 O O . PRO B 47 ? 1.0321 0.8066 0.8338 -0.3615 -0.0190 -0.1209 47 PRO B O 2621 C CB . PRO B 47 ? 1.0874 0.9315 0.8763 -0.4511 -0.0252 -0.0651 47 PRO B CB 2622 C CG . PRO B 47 ? 1.0748 0.9723 0.8727 -0.4611 -0.0184 -0.0410 47 PRO B CG 2623 C CD . PRO B 47 ? 1.0259 0.9208 0.8399 -0.4097 -0.0066 -0.0460 47 PRO B CD 2624 N N . LYS B 48 ? 1.0507 0.7702 0.8426 -0.3475 -0.0182 -0.0975 48 LYS B N 2625 C CA . LYS B 48 ? 1.0704 0.7117 0.8507 -0.3162 -0.0215 -0.1143 48 LYS B CA 2626 C C . LYS B 48 ? 1.0031 0.6756 0.8106 -0.2669 -0.0098 -0.1235 48 LYS B C 2627 O O . LYS B 48 ? 0.9947 0.6467 0.8048 -0.2430 -0.0077 -0.1163 48 LYS B O 2628 C CB . LYS B 48 ? 1.1350 0.6897 0.8877 -0.3222 -0.0316 -0.1020 48 LYS B CB 2629 N N . VAL B 49 ? 0.9590 0.6822 0.7852 -0.2547 -0.0035 -0.1376 49 VAL B N 2630 C CA . VAL B 49 ? 0.9016 0.6508 0.7501 -0.2125 0.0057 -0.1463 49 VAL B CA 2631 C C . VAL B 49 ? 0.9069 0.6335 0.7518 -0.1974 0.0040 -0.1681 49 VAL B C 2632 O O . VAL B 49 ? 0.9069 0.6623 0.7526 -0.2128 0.0026 -0.1769 49 VAL B O 2633 C CB . VAL B 49 ? 0.8436 0.6796 0.7194 -0.2058 0.0161 -0.1405 49 VAL B CB 2634 C CG1 . VAL B 49 ? 0.7921 0.6466 0.6858 -0.1677 0.0230 -0.1511 49 VAL B CG1 2635 C CG2 . VAL B 49 ? 0.8366 0.6962 0.7151 -0.2117 0.0209 -0.1223 49 VAL B CG2 2636 N N . GLU B 50 ? 0.9134 0.5941 0.7541 -0.1678 0.0042 -0.1758 50 GLU B N 2637 C CA . GLU B 50 ? 0.9184 0.5815 0.7553 -0.1491 0.0046 -0.1969 50 GLU B CA 2638 C C . GLU B 50 ? 0.8541 0.5778 0.7171 -0.1245 0.0128 -0.2003 50 GLU B C 2639 O O . GLU B 50 ? 0.8140 0.5743 0.6948 -0.1144 0.0180 -0.1877 50 GLU B O 2640 C CB . GLU B 50 ? 0.9587 0.5512 0.7802 -0.1262 0.0017 -0.2029 50 GLU B CB 2641 N N . MET B 51 ? 0.8518 0.5830 0.7136 -0.1165 0.0135 -0.2173 51 MET B N 2642 C CA . MET B 51 ? 0.7995 0.5857 0.6829 -0.0975 0.0193 -0.2186 51 MET B CA 2643 C C . MET B 51 ? 0.8035 0.5796 0.6821 -0.0778 0.0207 -0.2359 51 MET B C 2644 O O . MET B 51 ? 0.8461 0.5922 0.7042 -0.0865 0.0177 -0.2526 51 MET B O 2645 C CB . MET B 51 ? 0.7790 0.6233 0.6733 -0.1171 0.0192 -0.2146 51 MET B CB 2646 C CG . MET B 51 ? 0.7299 0.6287 0.6492 -0.0992 0.0252 -0.2039 51 MET B CG 2647 S SD . MET B 51 ? 0.7251 0.6886 0.6602 -0.1182 0.0265 -0.1901 51 MET B SD 2648 C CE . MET B 51 ? 0.7530 0.6916 0.6781 -0.1376 0.0263 -0.1788 51 MET B CE 2649 N N . SER B 52 ? 0.7635 0.5655 0.6585 -0.0528 0.0253 -0.2322 52 SER B N 2650 C CA . SER B 52 ? 0.7606 0.5683 0.6544 -0.0339 0.0278 -0.2456 52 SER B CA 2651 C C . SER B 52 ? 0.7445 0.5969 0.6410 -0.0442 0.0275 -0.2521 52 SER B C 2652 O O . SER B 52 ? 0.7258 0.6123 0.6317 -0.0597 0.0259 -0.2426 52 SER B O 2653 C CB . SER B 52 ? 0.7256 0.5515 0.6354 -0.0097 0.0312 -0.2355 52 SER B CB 2654 O OG . SER B 52 ? 0.6844 0.5550 0.6102 -0.0119 0.0321 -0.2235 52 SER B OG 2655 N N . ASP B 53 ? 0.7542 0.6107 0.6427 -0.0342 0.0294 -0.2674 53 ASP B N 2656 C CA . ASP B 53 ? 0.7384 0.6420 0.6289 -0.0425 0.0287 -0.2717 53 ASP B CA 2657 C C . ASP B 53 ? 0.6855 0.6356 0.5993 -0.0308 0.0299 -0.2537 53 ASP B C 2658 O O . ASP B 53 ? 0.6657 0.6104 0.5882 -0.0128 0.0325 -0.2459 53 ASP B O 2659 C CB . ASP B 53 ? 0.7702 0.6662 0.6424 -0.0345 0.0315 -0.2940 53 ASP B CB 2660 C CG . ASP B 53 ? 0.8390 0.6735 0.6816 -0.0425 0.0304 -0.3150 53 ASP B CG 2661 O OD1 . ASP B 53 ? 0.8662 0.6844 0.6968 -0.0702 0.0245 -0.3160 53 ASP B OD1 2662 O OD2 . ASP B 53 ? 0.8746 0.6769 0.7048 -0.0208 0.0353 -0.3301 53 ASP B OD2 2663 N N . MET B 54 ? 0.6665 0.6605 0.5888 -0.0422 0.0269 -0.2460 54 MET B N 2664 C CA . MET B 54 ? 0.6279 0.6579 0.5688 -0.0319 0.0266 -0.2278 54 MET B CA 2665 C C . MET B 54 ? 0.6189 0.6689 0.5590 -0.0206 0.0275 -0.2294 54 MET B C 2666 O O . MET B 54 ? 0.6412 0.6987 0.5683 -0.0242 0.0281 -0.2446 54 MET B O 2667 C CB . MET B 54 ? 0.6171 0.6885 0.5681 -0.0445 0.0226 -0.2172 54 MET B CB 2668 C CG . MET B 54 ? 0.5893 0.6864 0.5577 -0.0310 0.0220 -0.1972 54 MET B CG 2669 S SD . MET B 54 ? 0.5794 0.7237 0.5637 -0.0384 0.0187 -0.1825 54 MET B SD 2670 C CE . MET B 54 ? 0.5861 0.7081 0.5719 -0.0450 0.0233 -0.1832 54 MET B CE 2671 N N . SER B 55 ? 0.5914 0.6499 0.5425 -0.0087 0.0274 -0.2141 55 SER B N 2672 C CA . SER B 55 ? 0.5804 0.6630 0.5316 -0.0019 0.0270 -0.2103 55 SER B CA 2673 C C . SER B 55 ? 0.5583 0.6564 0.5195 0.0006 0.0226 -0.1885 55 SER B C 2674 O O . SER B 55 ? 0.5520 0.6396 0.5200 0.0017 0.0216 -0.1793 55 SER B O 2675 C CB . SER B 55 ? 0.5855 0.6494 0.5334 0.0109 0.0314 -0.2168 55 SER B CB 2676 O OG . SER B 55 ? 0.5761 0.6713 0.5257 0.0152 0.0309 -0.2100 55 SER B OG 2677 N N . PHE B 56 ? 0.5512 0.6732 0.5113 0.0014 0.0200 -0.1803 56 PHE B N 2678 C CA . PHE B 56 ? 0.5423 0.6661 0.5063 0.0031 0.0145 -0.1592 56 PHE B CA 2679 C C . PHE B 56 ? 0.5430 0.6666 0.5032 0.0045 0.0136 -0.1523 56 PHE B C 2680 O O . PHE B 56 ? 0.5451 0.6846 0.5027 0.0057 0.0174 -0.1622 56 PHE B O 2681 C CB . PHE B 56 ? 0.5428 0.6994 0.5088 -0.0028 0.0080 -0.1469 56 PHE B CB 2682 C CG . PHE B 56 ? 0.5422 0.7387 0.5017 -0.0120 0.0074 -0.1537 56 PHE B CG 2683 C CD1 . PHE B 56 ? 0.5387 0.7575 0.4928 -0.0156 0.0050 -0.1451 56 PHE B CD1 2684 C CD2 . PHE B 56 ? 0.5506 0.7648 0.5067 -0.0198 0.0088 -0.1684 56 PHE B CD2 2685 C CE1 . PHE B 56 ? 0.5407 0.8017 0.4868 -0.0239 0.0058 -0.1521 56 PHE B CE1 2686 C CE2 . PHE B 56 ? 0.5586 0.8089 0.5038 -0.0289 0.0088 -0.1772 56 PHE B CE2 2687 C CZ . PHE B 56 ? 0.5552 0.8306 0.4959 -0.0296 0.0081 -0.1694 56 PHE B CZ 2688 N N . SER B 57 ? 0.5469 0.6529 0.5054 0.0043 0.0085 -0.1355 57 SER B N 2689 C CA . SER B 57 ? 0.5521 0.6575 0.5050 0.0000 0.0055 -0.1257 57 SER B CA 2690 C C . SER B 57 ? 0.5602 0.6889 0.5071 -0.0109 -0.0027 -0.1075 57 SER B C 2691 O O . SER B 57 ? 0.5632 0.7098 0.5112 -0.0130 -0.0059 -0.1027 57 SER B O 2692 C CB . SER B 57 ? 0.5590 0.6213 0.5070 0.0025 0.0043 -0.1205 57 SER B CB 2693 O OG . SER B 57 ? 0.5753 0.6136 0.5208 0.0063 0.0016 -0.1134 57 SER B OG 2694 N N . LYS B 58 ? 0.5688 0.6994 0.5086 -0.0204 -0.0074 -0.0954 58 LYS B N 2695 C CA . LYS B 58 ? 0.5836 0.7356 0.5147 -0.0360 -0.0167 -0.0750 58 LYS B CA 2696 C C . LYS B 58 ? 0.6034 0.7264 0.5268 -0.0374 -0.0257 -0.0584 58 LYS B C 2697 O O . LYS B 58 ? 0.6165 0.7615 0.5343 -0.0483 -0.0335 -0.0419 58 LYS B O 2698 C CB . LYS B 58 ? 0.5925 0.7474 0.5155 -0.0499 -0.0214 -0.0631 58 LYS B CB 2699 N N . ASP B 59 ? 0.6098 0.6854 0.5323 -0.0250 -0.0245 -0.0618 59 ASP B N 2700 C CA . ASP B 59 ? 0.6353 0.6808 0.5516 -0.0190 -0.0316 -0.0474 59 ASP B CA 2701 C C . ASP B 59 ? 0.6214 0.6925 0.5530 -0.0064 -0.0284 -0.0519 59 ASP B C 2702 O O . ASP B 59 ? 0.6390 0.6931 0.5710 0.0047 -0.0327 -0.0408 59 ASP B O 2703 C CB . ASP B 59 ? 0.6598 0.6430 0.5641 -0.0103 -0.0314 -0.0485 59 ASP B CB 2704 C CG . ASP B 59 ? 0.6465 0.6218 0.5625 0.0057 -0.0198 -0.0686 59 ASP B CG 2705 O OD1 . ASP B 59 ? 0.6300 0.6406 0.5609 0.0065 -0.0127 -0.0822 59 ASP B OD1 2706 O OD2 . ASP B 59 ? 0.6656 0.5976 0.5732 0.0167 -0.0177 -0.0709 59 ASP B OD2 2707 N N . TRP B 60 ? 0.5950 0.7067 0.5380 -0.0080 -0.0211 -0.0683 60 TRP B N 2708 C CA . TRP B 60 ? 0.5826 0.7256 0.5378 -0.0030 -0.0185 -0.0753 60 TRP B CA 2709 C C . TRP B 60 ? 0.5770 0.7004 0.5420 0.0107 -0.0119 -0.0860 60 TRP B C 2710 O O . TRP B 60 ? 0.5730 0.7242 0.5482 0.0121 -0.0106 -0.0902 60 TRP B O 2711 C CB . TRP B 60 ? 0.5954 0.7632 0.5506 -0.0056 -0.0286 -0.0543 60 TRP B CB 2712 C CG . TRP B 60 ? 0.5964 0.7975 0.5422 -0.0230 -0.0348 -0.0434 60 TRP B CG 2713 C CD1 . TRP B 60 ? 0.6127 0.8017 0.5460 -0.0321 -0.0453 -0.0196 60 TRP B CD1 2714 C CD2 . TRP B 60 ? 0.5785 0.8307 0.5235 -0.0347 -0.0307 -0.0559 60 TRP B CD2 2715 N NE1 . TRP B 60 ? 0.6118 0.8488 0.5391 -0.0501 -0.0479 -0.0145 60 TRP B NE1 2716 C CE2 . TRP B 60 ? 0.5887 0.8663 0.5230 -0.0501 -0.0381 -0.0379 60 TRP B CE2 2717 C CE3 . TRP B 60 ? 0.5595 0.8354 0.5087 -0.0343 -0.0216 -0.0813 60 TRP B CE3 2718 C CZ2 . TRP B 60 ? 0.5806 0.9136 0.5100 -0.0627 -0.0349 -0.0455 60 TRP B CZ2 2719 C CZ3 . TRP B 60 ? 0.5560 0.8775 0.4975 -0.0455 -0.0187 -0.0908 60 TRP B CZ3 2720 C CH2 . TRP B 60 ? 0.5655 0.9187 0.4981 -0.0583 -0.0244 -0.0736 60 TRP B CH2 2721 N N . SER B 61 ? 0.5809 0.6613 0.5415 0.0182 -0.0082 -0.0896 61 SER B N 2722 C CA . SER B 61 ? 0.5752 0.6411 0.5436 0.0298 -0.0009 -0.0992 61 SER B CA 2723 C C . SER B 61 ? 0.5573 0.6346 0.5307 0.0234 0.0064 -0.1187 61 SER B C 2724 O O . SER B 61 ? 0.5522 0.6290 0.5202 0.0163 0.0076 -0.1264 61 SER B O 2725 C CB . SER B 61 ? 0.5918 0.6079 0.5492 0.0386 0.0007 -0.0973 61 SER B CB 2726 O OG . SER B 61 ? 0.5845 0.5831 0.5347 0.0310 0.0042 -0.1075 61 SER B OG 2727 N N . PHE B 62 ? 0.5522 0.6402 0.5352 0.0260 0.0108 -0.1255 62 PHE B N 2728 C CA . PHE B 62 ? 0.5471 0.6377 0.5309 0.0174 0.0161 -0.1427 62 PHE B CA 2729 C C . PHE B 62 ? 0.5505 0.6043 0.5297 0.0208 0.0217 -0.1494 62 PHE B C 2730 O O . PHE B 62 ? 0.5571 0.5875 0.5329 0.0294 0.0226 -0.1424 62 PHE B O 2731 C CB . PHE B 62 ? 0.5455 0.6672 0.5388 0.0115 0.0164 -0.1454 62 PHE B CB 2732 C CG . PHE B 62 ? 0.5450 0.7080 0.5403 0.0034 0.0101 -0.1410 62 PHE B CG 2733 C CD1 . PHE B 62 ? 0.5481 0.7373 0.5527 0.0110 0.0046 -0.1227 62 PHE B CD1 2734 C CD2 . PHE B 62 ? 0.5496 0.7248 0.5355 -0.0103 0.0097 -0.1552 62 PHE B CD2 2735 C CE1 . PHE B 62 ? 0.5522 0.7838 0.5580 0.0019 -0.0024 -0.1161 62 PHE B CE1 2736 C CE2 . PHE B 62 ? 0.5545 0.7710 0.5387 -0.0200 0.0038 -0.1519 62 PHE B CE2 2737 C CZ . PHE B 62 ? 0.5533 0.8003 0.5480 -0.0154 -0.0028 -0.1311 62 PHE B CZ 2738 N N . TYR B 63 ? 0.5531 0.5991 0.5295 0.0139 0.0248 -0.1629 63 TYR B N 2739 C CA . TYR B 63 ? 0.5590 0.5732 0.5311 0.0153 0.0290 -0.1675 63 TYR B CA 2740 C C . TYR B 63 ? 0.5692 0.5759 0.5384 0.0065 0.0310 -0.1807 63 TYR B C 2741 O O . TYR B 63 ? 0.5764 0.5928 0.5420 0.0017 0.0297 -0.1902 63 TYR B O 2742 C CB . TYR B 63 ? 0.5592 0.5541 0.5245 0.0201 0.0278 -0.1642 63 TYR B CB 2743 C CG . TYR B 63 ? 0.5662 0.5692 0.5294 0.0195 0.0271 -0.1714 63 TYR B CG 2744 C CD1 . TYR B 63 ? 0.5829 0.5695 0.5436 0.0209 0.0301 -0.1824 63 TYR B CD1 2745 C CD2 . TYR B 63 ? 0.5706 0.5980 0.5334 0.0188 0.0238 -0.1665 63 TYR B CD2 2746 C CE1 . TYR B 63 ? 0.5966 0.5912 0.5553 0.0262 0.0311 -0.1906 63 TYR B CE1 2747 C CE2 . TYR B 63 ? 0.5768 0.6200 0.5382 0.0209 0.0252 -0.1740 63 TYR B CE2 2748 C CZ . TYR B 63 ? 0.5919 0.6186 0.5518 0.0269 0.0296 -0.1872 63 TYR B CZ 2749 O OH . TYR B 63 ? 0.6041 0.6465 0.5625 0.0346 0.0326 -0.1962 63 TYR B OH 2750 N N . ILE B 64 ? 0.5774 0.5637 0.5449 0.0034 0.0339 -0.1813 64 ILE B N 2751 C CA . ILE B 64 ? 0.5963 0.5654 0.5574 -0.0076 0.0342 -0.1911 64 ILE B CA 2752 C C . ILE B 64 ? 0.6057 0.5445 0.5621 -0.0079 0.0362 -0.1872 64 ILE B C 2753 O O . ILE B 64 ? 0.5980 0.5411 0.5574 -0.0052 0.0389 -0.1785 64 ILE B O 2754 C CB . ILE B 64 ? 0.6020 0.5966 0.5660 -0.0233 0.0330 -0.1931 64 ILE B CB 2755 C CG1 . ILE B 64 ? 0.6343 0.6023 0.5857 -0.0403 0.0315 -0.2032 64 ILE B CG1 2756 C CG2 . ILE B 64 ? 0.5867 0.6075 0.5625 -0.0217 0.0356 -0.1808 64 ILE B CG2 2757 C CD1 . ILE B 64 ? 0.6497 0.6424 0.5982 -0.0612 0.0278 -0.2085 64 ILE B CD1 2758 N N . LEU B 65 ? 0.6264 0.5337 0.5736 -0.0098 0.0350 -0.1937 65 LEU B N 2759 C CA . LEU B 65 ? 0.6392 0.5172 0.5807 -0.0106 0.0352 -0.1874 65 LEU B CA 2760 C C . LEU B 65 ? 0.6669 0.5256 0.5998 -0.0289 0.0337 -0.1885 65 LEU B C 2761 O O . LEU B 65 ? 0.6958 0.5278 0.6182 -0.0347 0.0306 -0.1980 65 LEU B O 2762 C CB . LEU B 65 ? 0.6493 0.5044 0.5872 0.0035 0.0334 -0.1883 65 LEU B CB 2763 C CG . LEU B 65 ? 0.6665 0.4924 0.5983 0.0040 0.0317 -0.1790 65 LEU B CG 2764 C CD1 . LEU B 65 ? 0.6444 0.4833 0.5789 0.0080 0.0324 -0.1674 65 LEU B CD1 2765 C CD2 . LEU B 65 ? 0.6928 0.4912 0.6203 0.0173 0.0291 -0.1829 65 LEU B CD2 2766 N N . ALA B 66 ? 0.6625 0.5342 0.5977 -0.0388 0.0361 -0.1789 66 ALA B N 2767 C CA . ALA B 66 ? 0.6884 0.5471 0.6150 -0.0605 0.0343 -0.1750 66 ALA B CA 2768 C C . ALA B 66 ? 0.7048 0.5293 0.6218 -0.0595 0.0328 -0.1658 66 ALA B C 2769 O O . ALA B 66 ? 0.6880 0.5197 0.6082 -0.0476 0.0356 -0.1591 66 ALA B O 2770 C CB . ALA B 66 ? 0.6735 0.5780 0.6095 -0.0716 0.0387 -0.1680 66 ALA B CB 2771 N N . HIS B 67 ? 0.7430 0.5280 0.6459 -0.0734 0.0273 -0.1647 67 HIS B N 2772 C CA . HIS B 67 ? 0.7648 0.5163 0.6577 -0.0739 0.0240 -0.1524 67 HIS B CA 2773 C C . HIS B 67 ? 0.8107 0.5310 0.6871 -0.1011 0.0181 -0.1453 67 HIS B C 2774 O O . HIS B 67 ? 0.8394 0.5419 0.7066 -0.1163 0.0141 -0.1541 67 HIS B O 2775 C CB . HIS B 67 ? 0.7734 0.4923 0.6648 -0.0500 0.0207 -0.1554 67 HIS B CB 2776 C CG . HIS B 67 ? 0.8206 0.4929 0.6993 -0.0486 0.0157 -0.1663 67 HIS B CG 2777 N ND1 . HIS B 67 ? 0.8206 0.4981 0.7001 -0.0427 0.0174 -0.1846 67 HIS B ND1 2778 C CD2 . HIS B 67 ? 0.8726 0.4879 0.7341 -0.0520 0.0088 -0.1622 67 HIS B CD2 2779 C CE1 . HIS B 67 ? 0.8700 0.4947 0.7317 -0.0418 0.0130 -0.1941 67 HIS B CE1 2780 N NE2 . HIS B 67 ? 0.9083 0.4912 0.7590 -0.0463 0.0074 -0.1805 67 HIS B NE2 2781 N N . THR B 68 ? 0.8217 0.5345 0.6914 -0.1099 0.0166 -0.1286 68 THR B N 2782 C CA . THR B 68 ? 0.8707 0.5509 0.7220 -0.1385 0.0094 -0.1169 68 THR B CA 2783 C C . THR B 68 ? 0.8957 0.5420 0.7361 -0.1360 0.0039 -0.0989 68 THR B C 2784 O O . THR B 68 ? 0.8680 0.5355 0.7161 -0.1194 0.0075 -0.0928 68 THR B O 2785 C CB . THR B 68 ? 0.8636 0.5934 0.7174 -0.1682 0.0135 -0.1097 68 THR B CB 2786 O OG1 . THR B 68 ? 0.9161 0.6143 0.7498 -0.2005 0.0051 -0.0951 68 THR B OG1 2787 C CG2 . THR B 68 ? 0.8219 0.6065 0.6880 -0.1591 0.0236 -0.1026 68 THR B CG2 2788 N N . GLU B 69 ? 0.9536 0.5449 0.7736 -0.1540 -0.0061 -0.0896 69 GLU B N 2789 C CA . GLU B 69 ? 0.9879 0.5461 0.7954 -0.1565 -0.0135 -0.0677 69 GLU B CA 2790 C C . GLU B 69 ? 0.9776 0.5812 0.7826 -0.1839 -0.0102 -0.0500 69 GLU B C 2791 O O . GLU B 69 ? 0.9836 0.6143 0.7862 -0.2127 -0.0079 -0.0497 69 GLU B O 2792 C CB . GLU B 69 ? 1.0648 0.5412 0.8478 -0.1672 -0.0264 -0.0625 69 GLU B CB 2793 N N . PHE B 70 ? 0.9646 0.5821 0.7697 -0.1755 -0.0097 -0.0353 70 PHE B N 2794 C CA . PHE B 70 ? 0.9535 0.6187 0.7541 -0.1981 -0.0045 -0.0206 70 PHE B CA 2795 C C . PHE B 70 ? 0.9757 0.6267 0.7641 -0.1977 -0.0111 0.0019 70 PHE B C 2796 O O . PHE B 70 ? 0.9832 0.6011 0.7730 -0.1734 -0.0178 0.0048 70 PHE B O 2797 C CB . PHE B 70 ? 0.8936 0.6273 0.7113 -0.1862 0.0106 -0.0358 70 PHE B CB 2798 C CG . PHE B 70 ? 0.8580 0.6054 0.6802 -0.1603 0.0145 -0.0382 70 PHE B CG 2799 C CD1 . PHE B 70 ? 0.8478 0.5645 0.6766 -0.1335 0.0091 -0.0439 70 PHE B CD1 2800 C CD2 . PHE B 70 ? 0.8381 0.6320 0.6564 -0.1640 0.0238 -0.0356 70 PHE B CD2 2801 C CE1 . PHE B 70 ? 0.8188 0.5521 0.6503 -0.1154 0.0110 -0.0443 70 PHE B CE1 2802 C CE2 . PHE B 70 ? 0.8186 0.6206 0.6355 -0.1450 0.0260 -0.0388 70 PHE B CE2 2803 C CZ . PHE B 70 ? 0.8080 0.5805 0.6319 -0.1229 0.0187 -0.0420 70 PHE B CZ 2804 N N . THR B 71 ? 0.9875 0.6702 0.7642 -0.2251 -0.0091 0.0189 71 THR B N 2805 C CA . THR B 71 ? 1.0040 0.6874 0.7674 -0.2289 -0.0143 0.0411 71 THR B CA 2806 C C . THR B 71 ? 0.9666 0.7208 0.7309 -0.2310 0.0000 0.0361 71 THR B C 2807 O O . THR B 71 ? 0.9644 0.7636 0.7263 -0.2529 0.0092 0.0360 71 THR B O 2808 C CB . THR B 71 ? 1.0668 0.7160 0.8077 -0.2630 -0.0270 0.0698 71 THR B CB 2809 O OG1 . THR B 71 ? 1.1130 0.6832 0.8484 -0.2556 -0.0410 0.0729 71 THR B OG1 2810 C CG2 . THR B 71 ? 1.0848 0.7449 0.8111 -0.2697 -0.0322 0.0951 71 THR B CG2 2811 N N . PRO B 72 ? 0.9419 0.7073 0.7083 -0.2081 0.0023 0.0311 72 PRO B N 2812 C CA . PRO B 72 ? 0.9153 0.7370 0.6765 -0.2081 0.0159 0.0225 72 PRO B CA 2813 C C . PRO B 72 ? 0.9458 0.7898 0.6836 -0.2338 0.0145 0.0449 72 PRO B C 2814 O O . PRO B 72 ? 0.9780 0.7909 0.7044 -0.2420 0.0002 0.0688 72 PRO B O 2815 C CB . PRO B 72 ? 0.8880 0.7033 0.6551 -0.1793 0.0153 0.0106 72 PRO B CB 2816 C CG . PRO B 72 ? 0.8994 0.6640 0.6769 -0.1639 0.0014 0.0170 72 PRO B CG 2817 C CD . PRO B 72 ? 0.9425 0.6706 0.7141 -0.1824 -0.0079 0.0338 72 PRO B CD 2818 N N . THR B 73 ? 0.9387 0.8387 0.6693 -0.2449 0.0297 0.0375 73 THR B N 2819 C CA . THR B 73 ? 0.9673 0.9016 0.6735 -0.2693 0.0322 0.0548 73 THR B CA 2820 C C . THR B 73 ? 0.9487 0.9305 0.6447 -0.2571 0.0495 0.0338 73 THR B C 2821 O O . THR B 73 ? 0.9162 0.8982 0.6242 -0.2305 0.0581 0.0082 73 THR B O 2822 C CB . THR B 73 ? 0.9926 0.9553 0.6940 -0.3033 0.0347 0.0704 73 THR B CB 2823 O OG1 . THR B 73 ? 0.9617 0.9670 0.6803 -0.2970 0.0505 0.0493 73 THR B OG1 2824 C CG2 . THR B 73 ? 1.0302 0.9348 0.7318 -0.3215 0.0154 0.0934 73 THR B CG2 2825 N N . GLU B 74 ? 0.9758 0.9947 0.6465 -0.2771 0.0545 0.0446 74 GLU B N 2826 C CA . GLU B 74 ? 0.9734 1.0331 0.6262 -0.2672 0.0716 0.0235 74 GLU B CA 2827 C C . GLU B 74 ? 0.9595 1.0691 0.6225 -0.2581 0.0932 0.0020 74 GLU B C 2828 O O . GLU B 74 ? 0.9536 1.0832 0.6073 -0.2375 0.1088 -0.0232 74 GLU B O 2829 C CB . GLU B 74 ? 1.0099 1.0972 0.6290 -0.2929 0.0706 0.0415 74 GLU B CB 2830 C CG . GLU B 74 ? 1.0303 1.0784 0.6376 -0.3006 0.0493 0.0650 74 GLU B CG 2831 C CD . GLU B 74 ? 1.0677 1.1492 0.6383 -0.3238 0.0495 0.0785 74 GLU B CD 2832 O OE1 . GLU B 74 ? 1.0714 1.1860 0.6200 -0.3184 0.0656 0.0550 74 GLU B OE1 2833 O OE2 . GLU B 74 ? 1.1015 1.1734 0.6625 -0.3471 0.0331 0.1128 74 GLU B OE2 2834 N N . THR B 75 ? 0.9618 1.0904 0.6425 -0.2732 0.0935 0.0128 75 THR B N 2835 C CA . THR B 75 ? 0.9530 1.1447 0.6455 -0.2685 0.1132 -0.0008 75 THR B CA 2836 C C . THR B 75 ? 0.9269 1.1129 0.6527 -0.2575 0.1123 -0.0086 75 THR B C 2837 O O . THR B 75 ? 0.9078 1.1304 0.6480 -0.2339 0.1280 -0.0294 75 THR B O 2838 C CB . THR B 75 ? 0.9825 1.2359 0.6615 -0.3038 0.1194 0.0199 75 THR B CB 2839 O OG1 . THR B 75 ? 1.0113 1.2285 0.6807 -0.3377 0.0984 0.0526 75 THR B OG1 2840 C CG2 . THR B 75 ? 1.0010 1.2989 0.6502 -0.3007 0.1355 0.0101 75 THR B CG2 2841 N N . ASP B 76 ? 0.9312 1.0712 0.6673 -0.2734 0.0939 0.0077 76 ASP B N 2842 C CA . ASP B 76 ? 0.9109 1.0407 0.6743 -0.2665 0.0910 0.0000 76 ASP B CA 2843 C C . ASP B 76 ? 0.8751 0.9875 0.6530 -0.2257 0.0967 -0.0271 76 ASP B C 2844 O O . ASP B 76 ? 0.8702 0.9340 0.6415 -0.2096 0.0892 -0.0324 76 ASP B O 2845 C CB . ASP B 76 ? 0.9320 0.9977 0.6959 -0.2863 0.0695 0.0178 76 ASP B CB 2846 C CG . ASP B 76 ? 0.9771 1.0563 0.7281 -0.3312 0.0621 0.0459 76 ASP B CG 2847 O OD1 . ASP B 76 ? 0.9769 1.1115 0.7369 -0.3502 0.0695 0.0484 76 ASP B OD1 2848 O OD2 . ASP B 76 ? 1.0141 1.0493 0.7457 -0.3487 0.0476 0.0677 76 ASP B OD2 2849 N N . THR B 77 ? 0.8539 1.0099 0.6515 -0.2102 0.1095 -0.0420 77 THR B N 2850 C CA . THR B 77 ? 0.8280 0.9699 0.6377 -0.1725 0.1152 -0.0657 77 THR B CA 2851 C C . THR B 77 ? 0.8078 0.9235 0.6409 -0.1681 0.1051 -0.0686 77 THR B C 2852 O O . THR B 77 ? 0.8138 0.9512 0.6589 -0.1890 0.1016 -0.0591 77 THR B O 2853 C CB . THR B 77 ? 0.8220 1.0256 0.6376 -0.1497 0.1363 -0.0816 77 THR B CB 2854 O OG1 . THR B 77 ? 0.8211 1.0862 0.6573 -0.1632 0.1415 -0.0734 77 THR B OG1 2855 C CG2 . THR B 77 ? 0.8489 1.0764 0.6364 -0.1494 0.1488 -0.0849 77 THR B CG2 2856 N N . TYR B 78 ? 0.7886 0.8605 0.6257 -0.1434 0.1003 -0.0816 78 TYR B N 2857 C CA . TYR B 78 ? 0.7694 0.8162 0.6257 -0.1368 0.0915 -0.0866 78 TYR B CA 2858 C C . TYR B 78 ? 0.7437 0.8023 0.6137 -0.1050 0.0995 -0.1047 78 TYR B C 2859 O O . TYR B 78 ? 0.7414 0.7877 0.6006 -0.0846 0.1049 -0.1149 78 TYR B O 2860 C CB . TYR B 78 ? 0.7755 0.7575 0.6249 -0.1388 0.0759 -0.0817 78 TYR B CB 2861 C CG . TYR B 78 ? 0.8088 0.7682 0.6468 -0.1686 0.0649 -0.0620 78 TYR B CG 2862 C CD1 . TYR B 78 ? 0.8314 0.7849 0.6490 -0.1812 0.0627 -0.0476 78 TYR B CD1 2863 C CD2 . TYR B 78 ? 0.8249 0.7652 0.6689 -0.1859 0.0557 -0.0571 78 TYR B CD2 2864 C CE1 . TYR B 78 ? 0.8690 0.7970 0.6744 -0.2089 0.0509 -0.0262 78 TYR B CE1 2865 C CE2 . TYR B 78 ? 0.8648 0.7733 0.6940 -0.2140 0.0442 -0.0384 78 TYR B CE2 2866 C CZ . TYR B 78 ? 0.8858 0.7878 0.6967 -0.2246 0.0416 -0.0217 78 TYR B CZ 2867 O OH . TYR B 78 ? 0.9372 0.8030 0.7319 -0.2524 0.0287 -0.0002 78 TYR B OH 2868 N N . ALA B 79 ? 0.7284 0.8090 0.6197 -0.1031 0.0991 -0.1075 79 ALA B N 2869 C CA . ALA B 79 ? 0.7085 0.8053 0.6146 -0.0738 0.1057 -0.1207 79 ALA B CA 2870 C C . ALA B 79 ? 0.6923 0.7744 0.6150 -0.0730 0.0957 -0.1233 79 ALA B C 2871 O O . ALA B 79 ? 0.7005 0.7680 0.6241 -0.0964 0.0857 -0.1167 79 ALA B O 2872 C CB . ALA B 79 ? 0.7096 0.8760 0.6266 -0.0656 0.1207 -0.1213 79 ALA B CB 2873 N N . CYS B 80 ? 0.6745 0.7575 0.6072 -0.0467 0.0981 -0.1331 80 CYS B N 2874 C CA . CYS B 80 ? 0.6575 0.7393 0.6062 -0.0448 0.0904 -0.1356 80 CYS B CA 2875 C C . CYS B 80 ? 0.6453 0.7757 0.6126 -0.0240 0.0980 -0.1379 80 CYS B C 2876 O O . CYS B 80 ? 0.6452 0.7697 0.6099 0.0032 0.1043 -0.1440 80 CYS B O 2877 C CB . CYS B 80 ? 0.6505 0.6784 0.5923 -0.0349 0.0817 -0.1418 80 CYS B CB 2878 S SG . CYS B 80 ? 0.6454 0.6646 0.5988 -0.0430 0.0706 -0.1446 80 CYS B SG 2879 N N . ARG B 81 ? 0.6411 0.8184 0.6255 -0.0381 0.0963 -0.1318 81 ARG B N 2880 C CA . ARG B 81 ? 0.6323 0.8695 0.6384 -0.0200 0.1028 -0.1295 81 ARG B CA 2881 C C . ARG B 81 ? 0.6199 0.8544 0.6381 -0.0175 0.0926 -0.1306 81 ARG B C 2882 O O . ARG B 81 ? 0.6211 0.8447 0.6376 -0.0436 0.0822 -0.1301 81 ARG B O 2883 C CB . ARG B 81 ? 0.6379 0.9463 0.6563 -0.0401 0.1080 -0.1187 81 ARG B CB 2884 C CG . ARG B 81 ? 0.6300 1.0141 0.6724 -0.0153 0.1184 -0.1142 81 ARG B CG 2885 N N . VAL B 82 ? 0.6139 0.8553 0.6412 0.0135 0.0953 -0.1323 82 VAL B N 2886 C CA . VAL B 82 ? 0.6029 0.8415 0.6393 0.0175 0.0856 -0.1319 82 VAL B CA 2887 C C . VAL B 82 ? 0.5992 0.9021 0.6598 0.0368 0.0884 -0.1230 82 VAL B C 2888 O O . VAL B 82 ? 0.6083 0.9243 0.6734 0.0681 0.0982 -0.1218 82 VAL B O 2889 C CB . VAL B 82 ? 0.6013 0.7761 0.6227 0.0336 0.0815 -0.1392 82 VAL B CB 2890 C CG1 . VAL B 82 ? 0.5944 0.7766 0.6259 0.0447 0.0740 -0.1360 82 VAL B CG1 2891 C CG2 . VAL B 82 ? 0.6008 0.7245 0.6047 0.0125 0.0751 -0.1453 82 VAL B CG2 2892 N N . LYS B 83 ? 0.5910 0.9332 0.6653 0.0186 0.0797 -0.1168 83 LYS B N 2893 C CA . LYS B 83 ? 0.5872 0.9971 0.6867 0.0346 0.0794 -0.1050 83 LYS B CA 2894 C C . LYS B 83 ? 0.5797 0.9714 0.6800 0.0420 0.0685 -0.1038 83 LYS B C 2895 O O . LYS B 83 ? 0.5753 0.9472 0.6662 0.0162 0.0585 -0.1089 83 LYS B O 2896 C CB . LYS B 83 ? 0.5872 1.0713 0.7022 0.0043 0.0769 -0.0954 83 LYS B CB 2897 C CG . LYS B 83 ? 0.5840 1.1579 0.7298 0.0239 0.0799 -0.0797 83 LYS B CG 2898 N N . HIS B 84 ? 0.5838 0.9800 0.6929 0.0780 0.0707 -0.0971 84 HIS B N 2899 C CA . HIS B 84 ? 0.5826 0.9615 0.6909 0.0861 0.0602 -0.0926 84 HIS B CA 2900 C C . HIS B 84 ? 0.5927 1.0169 0.7221 0.1200 0.0608 -0.0764 84 HIS B C 2901 O O . HIS B 84 ? 0.6076 1.0469 0.7447 0.1492 0.0721 -0.0739 84 HIS B O 2902 C CB . HIS B 84 ? 0.5884 0.8846 0.6721 0.0939 0.0591 -0.1025 84 HIS B CB 2903 C CG . HIS B 84 ? 0.5866 0.8651 0.6658 0.0919 0.0473 -0.0983 84 HIS B CG 2904 N ND1 . HIS B 84 ? 0.5992 0.8580 0.6767 0.1186 0.0442 -0.0888 84 HIS B ND1 2905 C CD2 . HIS B 84 ? 0.5749 0.8530 0.6486 0.0659 0.0381 -0.1023 84 HIS B CD2 2906 C CE1 . HIS B 84 ? 0.5947 0.8470 0.6674 0.1066 0.0331 -0.0849 84 HIS B CE1 2907 N NE2 . HIS B 84 ? 0.5777 0.8437 0.6482 0.0760 0.0302 -0.0942 84 HIS B NE2 2908 N N . ALA B 85 ? 0.5906 1.0367 0.7282 0.1176 0.0489 -0.0654 85 ALA B N 2909 C CA . ALA B 85 ? 0.6028 1.0988 0.7629 0.1483 0.0465 -0.0455 85 ALA B CA 2910 C C . ALA B 85 ? 0.6311 1.0740 0.7828 0.1920 0.0506 -0.0421 85 ALA B C 2911 O O . ALA B 85 ? 0.6497 1.1263 0.8192 0.2262 0.0511 -0.0261 85 ALA B O 2912 C CB . ALA B 85 ? 0.5951 1.1270 0.7623 0.1299 0.0310 -0.0335 85 ALA B CB 2913 N N . SER B 86 ? 0.6401 0.9992 0.7634 0.1904 0.0526 -0.0566 86 SER B N 2914 C CA . SER B 86 ? 0.6767 0.9722 0.7835 0.2254 0.0558 -0.0565 86 SER B CA 2915 C C . SER B 86 ? 0.6984 0.9891 0.8026 0.2520 0.0727 -0.0663 86 SER B C 2916 O O . SER B 86 ? 0.7388 0.9813 0.8286 0.2863 0.0774 -0.0677 86 SER B O 2917 C CB . SER B 86 ? 0.6799 0.8940 0.7557 0.2080 0.0496 -0.0666 86 SER B CB 2918 O OG . SER B 86 ? 0.6655 0.8609 0.7293 0.1833 0.0559 -0.0844 86 SER B OG 2919 N N . MET B 87 ? 0.6782 1.0170 0.7932 0.2346 0.0816 -0.0734 87 MET B N 2920 C CA . MET B 87 ? 0.6958 1.0465 0.8097 0.2549 0.0990 -0.0825 87 MET B CA 2921 C C . MET B 87 ? 0.6898 1.1435 0.8386 0.2673 0.1062 -0.0700 87 MET B C 2922 O O . MET B 87 ? 0.6622 1.1805 0.8323 0.2397 0.0981 -0.0592 87 MET B O 2923 C CB . MET B 87 ? 0.6803 1.0040 0.7753 0.2223 0.1039 -0.0989 87 MET B CB 2924 C CG . MET B 87 ? 0.7083 0.9425 0.7678 0.2295 0.1073 -0.1141 87 MET B CG 2925 S SD . MET B 87 ? 0.6956 0.8758 0.7331 0.1840 0.0977 -0.1240 87 MET B SD 2926 C CE . MET B 87 ? 0.6592 0.9065 0.7155 0.1484 0.0992 -0.1222 87 MET B CE 2927 N N . ALA B 88 ? 0.7203 1.1908 0.8733 0.3084 0.1216 -0.0720 88 ALA B N 2928 C CA . ALA B 88 ? 0.7165 1.2939 0.9039 0.3244 0.1316 -0.0603 88 ALA B CA 2929 C C . ALA B 88 ? 0.6911 1.3163 0.8814 0.2854 0.1388 -0.0665 88 ALA B C 2930 O O . ALA B 88 ? 0.6653 1.3713 0.8801 0.2564 0.1332 -0.0536 88 ALA B O 2931 C CB . ALA B 88 ? 0.7627 1.3392 0.9505 0.3848 0.1479 -0.0632 88 ALA B CB 2932 N N . GLU B 89 ? 0.7026 1.2758 0.8650 0.2821 0.1497 -0.0850 89 GLU B N 2933 C CA . GLU B 89 ? 0.6836 1.2851 0.8417 0.2426 0.1550 -0.0902 89 GLU B CA 2934 C C . GLU B 89 ? 0.6673 1.1864 0.7969 0.2019 0.1432 -0.1007 89 GLU B C 2935 O O . GLU B 89 ? 0.6762 1.1143 0.7849 0.2113 0.1366 -0.1082 89 GLU B O 2936 C CB . GLU B 89 ? 0.7105 1.3236 0.8579 0.2678 0.1764 -0.1017 89 GLU B CB 2937 N N . PRO B 90 ? 0.6476 1.1880 0.7760 0.1565 0.1399 -0.0996 90 PRO B N 2938 C CA . PRO B 90 ? 0.6377 1.1014 0.7400 0.1229 0.1296 -0.1090 90 PRO B CA 2939 C C . PRO B 90 ? 0.6554 1.0495 0.7269 0.1347 0.1379 -0.1240 90 PRO B C 2940 O O . PRO B 90 ? 0.6745 1.0918 0.7417 0.1509 0.1531 -0.1283 90 PRO B O 2941 C CB . PRO B 90 ? 0.6265 1.1329 0.7337 0.0771 0.1264 -0.1029 90 PRO B CB 2942 C CG . PRO B 90 ? 0.6217 1.2302 0.7612 0.0792 0.1288 -0.0876 90 PRO B CG 2943 C CD . PRO B 90 ? 0.6376 1.2728 0.7882 0.1323 0.1434 -0.0877 90 PRO B CD 2944 N N . LYS B 91 ? 0.6519 0.9668 0.7018 0.1260 0.1281 -0.1316 91 LYS B N 2945 C CA . LYS B 91 ? 0.6685 0.9173 0.6872 0.1313 0.1330 -0.1445 91 LYS B CA 2946 C C . LYS B 91 ? 0.6592 0.8928 0.6643 0.0943 0.1302 -0.1460 91 LYS B C 2947 O O . LYS B 91 ? 0.6414 0.8590 0.6482 0.0669 0.1179 -0.1426 91 LYS B O 2948 C CB . LYS B 91 ? 0.6748 0.8508 0.6770 0.1422 0.1234 -0.1494 91 LYS B CB 2949 C CG . LYS B 91 ? 0.7036 0.8177 0.6731 0.1573 0.1294 -0.1621 91 LYS B CG 2950 C CD . LYS B 91 ? 0.7065 0.7505 0.6576 0.1527 0.1165 -0.1644 91 LYS B CD 2951 C CE . LYS B 91 ? 0.7151 0.7507 0.6750 0.1755 0.1103 -0.1577 91 LYS B CE 2952 N NZ . LYS B 91 ? 0.7172 0.6910 0.6584 0.1664 0.0973 -0.1575 91 LYS B NZ 2953 N N . THR B 92 ? 0.6749 0.9128 0.6647 0.0952 0.1419 -0.1511 92 THR B N 2954 C CA . THR B 92 ? 0.6732 0.8938 0.6469 0.0627 0.1394 -0.1502 92 THR B CA 2955 C C . THR B 92 ? 0.6902 0.8424 0.6322 0.0678 0.1391 -0.1607 92 THR B C 2956 O O . THR B 92 ? 0.7159 0.8584 0.6414 0.0916 0.1503 -0.1707 92 THR B O 2957 C CB . THR B 92 ? 0.6825 0.9678 0.6604 0.0522 0.1518 -0.1447 92 THR B CB 2958 O OG1 . THR B 92 ? 0.6723 1.0298 0.6801 0.0462 0.1517 -0.1335 92 THR B OG1 2959 C CG2 . THR B 92 ? 0.6865 0.9525 0.6476 0.0148 0.1463 -0.1393 92 THR B CG2 2960 N N . VAL B 93 ? 0.6790 0.7848 0.6116 0.0461 0.1260 -0.1588 93 VAL B N 2961 C CA . VAL B 93 ? 0.6928 0.7431 0.5968 0.0435 0.1233 -0.1649 93 VAL B CA 2962 C C . VAL B 93 ? 0.6951 0.7427 0.5886 0.0142 0.1200 -0.1576 93 VAL B C 2963 O O . VAL B 93 ? 0.6826 0.7215 0.5846 -0.0062 0.1091 -0.1493 93 VAL B O 2964 C CB . VAL B 93 ? 0.6842 0.6840 0.5848 0.0474 0.1108 -0.1670 93 VAL B CB 2965 C CG1 . VAL B 93 ? 0.6929 0.6470 0.5689 0.0343 0.1041 -0.1681 93 VAL B CG1 2966 C CG2 . VAL B 93 ? 0.6975 0.6847 0.5959 0.0766 0.1143 -0.1739 93 VAL B CG2 2967 N N . TYR B 94 ? 0.7163 0.7695 0.5889 0.0132 0.1295 -0.1607 94 TYR B N 2968 C CA . TYR B 94 ? 0.7244 0.7748 0.5829 -0.0139 0.1262 -0.1515 94 TYR B CA 2969 C C . TYR B 94 ? 0.7275 0.7221 0.5689 -0.0218 0.1136 -0.1502 94 TYR B C 2970 O O . TYR B 94 ? 0.7336 0.6956 0.5632 -0.0069 0.1119 -0.1597 94 TYR B O 2971 C CB . TYR B 94 ? 0.7492 0.8314 0.5890 -0.0123 0.1413 -0.1554 94 TYR B CB 2972 C CG . TYR B 94 ? 0.7461 0.8988 0.6046 -0.0099 0.1540 -0.1520 94 TYR B CG 2973 C CD1 . TYR B 94 ? 0.7477 0.9304 0.6156 0.0226 0.1676 -0.1632 94 TYR B CD1 2974 C CD2 . TYR B 94 ? 0.7411 0.9320 0.6075 -0.0407 0.1519 -0.1358 94 TYR B CD2 2975 C CE1 . TYR B 94 ? 0.7443 1.0035 0.6329 0.0264 0.1795 -0.1581 94 TYR B CE1 2976 C CE2 . TYR B 94 ? 0.7417 1.0068 0.6262 -0.0426 0.1629 -0.1303 94 TYR B CE2 2977 C CZ . TYR B 94 ? 0.7407 1.0449 0.6381 -0.0080 0.1771 -0.1414 94 TYR B CZ 2978 O OH . TYR B 94 ? 0.7393 1.1282 0.6579 -0.0084 0.1883 -0.1340 94 TYR B OH 2979 N N . TRP B 95 ? 0.7284 0.7130 0.5680 -0.0456 0.1040 -0.1368 95 TRP B N 2980 C CA . TRP B 95 ? 0.7321 0.6740 0.5588 -0.0524 0.0916 -0.1318 95 TRP B CA 2981 C C . TRP B 95 ? 0.7586 0.6933 0.5551 -0.0555 0.0953 -0.1342 95 TRP B C 2982 O O . TRP B 95 ? 0.7763 0.7375 0.5596 -0.0657 0.1036 -0.1312 95 TRP B O 2983 C CB . TRP B 95 ? 0.7325 0.6635 0.5660 -0.0730 0.0803 -0.1156 95 TRP B CB 2984 C CG . TRP B 95 ? 0.7385 0.6334 0.5619 -0.0770 0.0677 -0.1070 95 TRP B CG 2985 C CD1 . TRP B 95 ? 0.7281 0.5996 0.5522 -0.0642 0.0612 -0.1119 95 TRP B CD1 2986 C CD2 . TRP B 95 ? 0.7618 0.6453 0.5745 -0.0950 0.0594 -0.0894 95 TRP B CD2 2987 N NE1 . TRP B 95 ? 0.7408 0.5931 0.5576 -0.0715 0.0500 -0.0987 95 TRP B NE1 2988 C CE2 . TRP B 95 ? 0.7648 0.6213 0.5745 -0.0889 0.0483 -0.0845 95 TRP B CE2 2989 C CE3 . TRP B 95 ? 0.7820 0.6779 0.5873 -0.1168 0.0594 -0.0748 95 TRP B CE3 2990 C CZ2 . TRP B 95 ? 0.7857 0.6268 0.5868 -0.0998 0.0373 -0.0654 95 TRP B CZ2 2991 C CZ3 . TRP B 95 ? 0.8063 0.6803 0.6000 -0.1301 0.0477 -0.0556 95 TRP B CZ3 2992 C CH2 . TRP B 95 ? 0.8068 0.6536 0.5994 -0.1196 0.0368 -0.0510 95 TRP B CH2 2993 N N . ASP B 96 ? 0.7640 0.6658 0.5478 -0.0491 0.0887 -0.1392 96 ASP B N 2994 C CA . ASP B 96 ? 0.7947 0.6839 0.5458 -0.0556 0.0889 -0.1421 96 ASP B CA 2995 C C . ASP B 96 ? 0.7939 0.6594 0.5426 -0.0669 0.0723 -0.1290 96 ASP B C 2996 O O . ASP B 96 ? 0.7853 0.6303 0.5395 -0.0594 0.0646 -0.1318 96 ASP B O 2997 C CB . ASP B 96 ? 0.8110 0.6835 0.5436 -0.0378 0.0970 -0.1621 96 ASP B CB 2998 C CG . ASP B 96 ? 0.8531 0.7108 0.5445 -0.0467 0.0990 -0.1694 96 ASP B CG 2999 O OD1 . ASP B 96 ? 0.8645 0.7299 0.5436 -0.0673 0.0929 -0.1569 96 ASP B OD1 3000 O OD2 . ASP B 96 ? 0.8870 0.7225 0.5556 -0.0334 0.1059 -0.1876 96 ASP B OD2 3001 N N . ARG B 97 ? 0.8070 0.6796 0.5485 -0.0847 0.0664 -0.1127 97 ARG B N 3002 C CA . ARG B 97 ? 0.8064 0.6637 0.5509 -0.0923 0.0502 -0.0960 97 ARG B CA 3003 C C . ARG B 97 ? 0.8211 0.6672 0.5421 -0.0961 0.0440 -0.0990 97 ARG B C 3004 O O . ARG B 97 ? 0.8142 0.6529 0.5433 -0.0964 0.0310 -0.0886 97 ARG B O 3005 C CB . ARG B 97 ? 0.8217 0.6871 0.5634 -0.1096 0.0444 -0.0746 97 ARG B CB 3006 C CG . ARG B 97 ? 0.8527 0.7364 0.5629 -0.1266 0.0496 -0.0716 97 ARG B CG 3007 C CD . ARG B 97 ? 0.8690 0.7600 0.5770 -0.1456 0.0421 -0.0465 97 ARG B CD 3008 N NE . ARG B 97 ? 0.8656 0.7698 0.5864 -0.1510 0.0495 -0.0441 97 ARG B NE 3009 C CZ . ARG B 97 ? 0.8850 0.7956 0.6015 -0.1714 0.0449 -0.0227 97 ARG B CZ 3010 N NH1 . ARG B 97 ? 0.9078 0.8125 0.6086 -0.1855 0.0329 -0.0010 97 ARG B NH1 3011 N NH2 . ARG B 97 ? 0.8858 0.8107 0.6131 -0.1799 0.0510 -0.0211 97 ARG B NH2 3012 N N . ASP B 98 ? 0.8464 0.6929 0.5372 -0.0993 0.0535 -0.1138 98 ASP B N 3013 C CA . ASP B 98 ? 0.8721 0.7024 0.5328 -0.1072 0.0478 -0.1201 98 ASP B CA 3014 C C . ASP B 98 ? 0.8622 0.6690 0.5297 -0.0951 0.0447 -0.1312 98 ASP B C 3015 O O . ASP B 98 ? 0.8732 0.6686 0.5276 -0.1051 0.0334 -0.1280 98 ASP B O 3016 C CB . ASP B 98 ? 0.9117 0.7426 0.5317 -0.1139 0.0599 -0.1360 98 ASP B CB 3017 C CG . ASP B 98 ? 0.9268 0.7865 0.5357 -0.1305 0.0623 -0.1228 98 ASP B CG 3018 O OD1 . ASP B 98 ? 0.9247 0.7934 0.5404 -0.1449 0.0483 -0.0992 98 ASP B OD1 3019 O OD2 . ASP B 98 ? 0.9460 0.8219 0.5393 -0.1283 0.0782 -0.1349 98 ASP B OD2 3020 N N . MET B 99 ? 0.8456 0.6493 0.5332 -0.0759 0.0539 -0.1421 99 MET B N 3021 C CA . MET B 99 ? 0.8354 0.6195 0.5328 -0.0646 0.0502 -0.1489 99 MET B CA 3022 C C . MET B 99 ? 0.8016 0.5966 0.5328 -0.0630 0.0389 -0.1337 99 MET B C 3023 O O . MET B 99 ? 0.7983 0.5851 0.5341 -0.0624 0.0307 -0.1323 99 MET B O 3024 C CB . MET B 99 ? 0.8322 0.6127 0.5381 -0.0434 0.0635 -0.1643 99 MET B CB 3025 C CG . MET B 99 ? 0.8733 0.6234 0.5438 -0.0363 0.0712 -0.1835 99 MET B CG 3026 N N . THR C 1 ? 0.9252 1.0186 0.7042 -0.4899 0.1624 -0.1010 1 THR C N 3027 C CA . THR C 1 ? 0.8209 0.9576 0.6706 -0.4064 0.1599 -0.1198 1 THR C CA 3028 C C . THR C 1 ? 0.8198 0.8369 0.6563 -0.3586 0.1370 -0.1063 1 THR C C 3029 O O . THR C 1 ? 0.8901 0.7900 0.6740 -0.3754 0.1178 -0.0895 1 THR C O 3030 C CB . THR C 1 ? 0.7649 0.9574 0.6715 -0.3855 0.1599 -0.1413 1 THR C CB 3031 O OG1 . THR C 1 ? 0.7955 1.0655 0.6991 -0.4469 0.1734 -0.1515 1 THR C OG1 3032 C CG2 . THR C 1 ? 0.6780 0.9572 0.6461 -0.3191 0.1644 -0.1618 1 THR C CG2 3033 N N . GLN C 2 ? 0.7471 0.7948 0.6290 -0.2985 0.1360 -0.1166 2 GLN C N 3034 C CA . GLN C 2 ? 0.7401 0.7033 0.6177 -0.2562 0.1171 -0.1083 2 GLN C CA 3035 C C . GLN C 2 ? 0.7001 0.6293 0.6113 -0.2214 0.1039 -0.1144 2 GLN C C 3036 O O . GLN C 2 ? 0.7138 0.5722 0.6143 -0.1973 0.0860 -0.1096 2 GLN C O 3037 C CB . GLN C 2 ? 0.7039 0.7092 0.6030 -0.2194 0.1209 -0.1155 2 GLN C CB 3038 C CG . GLN C 2 ? 0.7602 0.7689 0.6113 -0.2442 0.1266 -0.1068 2 GLN C CG 3039 C CD . GLN C 2 ? 0.7377 0.7960 0.6111 -0.2046 0.1287 -0.1212 2 GLN C CD 3040 O OE1 . GLN C 2 ? 0.7036 0.7368 0.6080 -0.1603 0.1161 -0.1275 2 GLN C OE1 3041 N NE2 . GLN C 2 ? 0.7648 0.8965 0.6190 -0.2234 0.1441 -0.1284 2 GLN C NE2 3042 N N . VAL C 3 ? 0.6527 0.6430 0.6036 -0.2169 0.1123 -0.1274 3 VAL C N 3043 C CA . VAL C 3 ? 0.6180 0.5903 0.5967 -0.1889 0.1029 -0.1335 3 VAL C CA 3044 C C . VAL C 3 ? 0.6394 0.6170 0.6113 -0.2188 0.1031 -0.1406 3 VAL C C 3045 O O . VAL C 3 ? 0.6207 0.6775 0.6131 -0.2341 0.1161 -0.1509 3 VAL C O 3046 C CB . VAL C 3 ? 0.5514 0.5838 0.5788 -0.1498 0.1085 -0.1415 3 VAL C CB 3047 C CG1 . VAL C 3 ? 0.5352 0.5480 0.5821 -0.1263 0.1002 -0.1434 3 VAL C CG1 3048 C CG2 . VAL C 3 ? 0.5370 0.5677 0.5680 -0.1270 0.1074 -0.1382 3 VAL C CG2 3049 N N . GLU C 4 ? 0.6848 0.5802 0.6264 -0.2238 0.0853 -0.1394 4 GLU C N 3050 C CA . GLU C 4 ? 0.7214 0.6028 0.6473 -0.2541 0.0799 -0.1486 4 GLU C CA 3051 C C . GLU C 4 ? 0.6955 0.5712 0.6460 -0.2171 0.0688 -0.1639 4 GLU C C 3052 O O . GLU C 4 ? 0.6951 0.5275 0.6448 -0.1801 0.0549 -0.1657 4 GLU C O 3053 C CB . GLU C 4 ? 0.8301 0.6063 0.6822 -0.2982 0.0633 -0.1374 4 GLU C CB 3054 C CG . GLU C 4 ? 0.8707 0.6770 0.6927 -0.3607 0.0796 -0.1250 4 GLU C CG 3055 N N . GLN C 5 ? 0.6747 0.6068 0.6473 -0.2270 0.0750 -0.1779 5 GLN C N 3056 C CA . GLN C 5 ? 0.6518 0.5951 0.6460 -0.1944 0.0671 -0.1939 5 GLN C CA 3057 C C . GLN C 5 ? 0.7167 0.6210 0.6823 -0.2207 0.0521 -0.2108 5 GLN C C 3058 O O . GLN C 5 ? 0.7555 0.6637 0.7014 -0.2718 0.0551 -0.2113 5 GLN C O 3059 C CB . GLN C 5 ? 0.5752 0.6187 0.6182 -0.1715 0.0836 -0.1970 5 GLN C CB 3060 C CG . GLN C 5 ? 0.5213 0.5840 0.5870 -0.1388 0.0913 -0.1832 5 GLN C CG 3061 C CD . GLN C 5 ? 0.4688 0.6049 0.5647 -0.1166 0.1005 -0.1836 5 GLN C CD 3062 O OE1 . GLN C 5 ? 0.4525 0.6271 0.5576 -0.1135 0.1075 -0.1797 5 GLN C OE1 3063 N NE2 . GLN C 5 ? 0.4588 0.6126 0.5635 -0.0982 0.0977 -0.1898 5 GLN C NE2 3064 N N . SER C 6 ? 0.7335 0.6061 0.6962 -0.1868 0.0352 -0.2276 6 SER C N 3065 C CA . SER C 6 ? 0.8023 0.6303 0.7360 -0.2009 0.0153 -0.2501 6 SER C CA 3066 C C . SER C 6 ? 0.7620 0.6468 0.7279 -0.1564 0.0138 -0.2728 6 SER C C 3067 O O . SER C 6 ? 0.7178 0.6316 0.7078 -0.1125 0.0178 -0.2721 6 SER C O 3068 C CB . SER C 6 ? 0.9116 0.6010 0.7792 -0.2030 -0.0168 -0.2528 6 SER C CB 3069 O OG . SER C 6 ? 0.9033 0.5736 0.7773 -0.1449 -0.0281 -0.2578 6 SER C OG 3070 N N . PRO C 7 ? 0.7822 0.6902 0.7468 -0.1717 0.0085 -0.2939 7 PRO C N 3071 C CA . PRO C 7 ? 0.8357 0.7273 0.7767 -0.2323 0.0053 -0.2975 7 PRO C CA 3072 C C . PRO C 7 ? 0.7658 0.7769 0.7503 -0.2549 0.0325 -0.2895 7 PRO C C 3073 O O . PRO C 7 ? 0.6832 0.7684 0.7077 -0.2196 0.0501 -0.2787 7 PRO C O 3074 C CB . PRO C 7 ? 0.8907 0.7578 0.8136 -0.2264 -0.0176 -0.3318 7 PRO C CB 3075 C CG . PRO C 7 ? 0.8520 0.7446 0.7953 -0.1567 -0.0218 -0.3466 7 PRO C CG 3076 C CD . PRO C 7 ? 0.7650 0.7190 0.7473 -0.1318 0.0032 -0.3195 7 PRO C CD 3077 N N . GLN C 8 ? 0.8079 0.8353 0.7801 -0.3140 0.0330 -0.2967 8 GLN C N 3078 C CA . GLN C 8 ? 0.7543 0.9110 0.7683 -0.3325 0.0539 -0.3002 8 GLN C CA 3079 C C . GLN C 8 ? 0.6894 0.9302 0.7433 -0.2799 0.0564 -0.3149 8 GLN C C 3080 O O . GLN C 8 ? 0.6216 0.9327 0.7082 -0.2430 0.0705 -0.3040 8 GLN C O 3081 C CB . GLN C 8 ? 0.8242 0.9930 0.8180 -0.4079 0.0495 -0.3155 8 GLN C CB 3082 C CG . GLN C 8 ? 0.7890 1.0990 0.8211 -0.4396 0.0719 -0.3201 8 GLN C CG 3083 C CD . GLN C 8 ? 0.8225 1.1244 0.8332 -0.4887 0.0863 -0.2984 8 GLN C CD 3084 O OE1 . GLN C 8 ? 0.8180 1.0534 0.8122 -0.4647 0.0888 -0.2739 8 GLN C OE1 3085 N NE2 . GLN C 8 ? 0.8517 1.2333 0.8630 -0.5601 0.0966 -0.3094 8 GLN C NE2 3086 N N . SER C 9 ? 0.7223 0.9450 0.7646 -0.2761 0.0394 -0.3394 9 SER C N 3087 C CA . SER C 9 ? 0.6756 0.9675 0.7430 -0.2280 0.0391 -0.3534 9 SER C CA 3088 C C . SER C 9 ? 0.7120 0.9339 0.7547 -0.1975 0.0206 -0.3691 9 SER C C 3089 O O . SER C 9 ? 0.7923 0.9190 0.7962 -0.2207 -0.0002 -0.3831 9 SER C O 3090 C CB . SER C 9 ? 0.6768 1.0617 0.7618 -0.2516 0.0372 -0.3790 9 SER C CB 3091 N N . LEU C 10 ? 0.6626 0.9307 0.7220 -0.1454 0.0265 -0.3677 10 LEU C N 3092 C CA . LEU C 10 ? 0.6885 0.9257 0.7310 -0.1102 0.0118 -0.3891 10 LEU C CA 3093 C C . LEU C 10 ? 0.6667 0.9925 0.7207 -0.0842 0.0130 -0.4072 10 LEU C C 3094 O O . LEU C 10 ? 0.6123 1.0136 0.6860 -0.0660 0.0296 -0.3879 10 LEU C O 3095 C CB . LEU C 10 ? 0.6634 0.8761 0.7085 -0.0747 0.0185 -0.3713 10 LEU C CB 3096 C CG . LEU C 10 ? 0.6917 0.8932 0.7241 -0.0320 0.0046 -0.3980 10 LEU C CG 3097 C CD1 . LEU C 10 ? 0.7849 0.8764 0.7763 -0.0356 -0.0280 -0.4273 10 LEU C CD1 3098 C CD2 . LEU C 10 ? 0.6505 0.8761 0.6996 -0.0025 0.0191 -0.3782 10 LEU C CD2 3099 N N . VAL C 11 ? 0.7210 1.0280 0.7546 -0.0815 -0.0081 -0.4448 11 VAL C N 3100 C CA . VAL C 11 ? 0.7114 1.1002 0.7489 -0.0560 -0.0102 -0.4672 11 VAL C CA 3101 C C . VAL C 11 ? 0.7332 1.1160 0.7549 -0.0095 -0.0189 -0.4898 11 VAL C C 3102 O O . VAL C 11 ? 0.8010 1.1061 0.7963 -0.0040 -0.0438 -0.5210 11 VAL C O 3103 C CB . VAL C 11 ? 0.7608 1.1561 0.7897 -0.0903 -0.0290 -0.5011 11 VAL C CB 3104 C CG1 . VAL C 11 ? 0.7338 1.2400 0.7749 -0.0676 -0.0258 -0.5140 11 VAL C CG1 3105 C CG2 . VAL C 11 ? 0.7639 1.1458 0.8021 -0.1487 -0.0247 -0.4872 11 VAL C CG2 3106 N N . VAL C 12 ? 0.6848 1.1492 0.7176 0.0234 -0.0001 -0.4750 12 VAL C N 3107 C CA . VAL C 12 ? 0.7008 1.1955 0.7233 0.0660 -0.0025 -0.4979 12 VAL C CA 3108 C C . VAL C 12 ? 0.6953 1.2920 0.7108 0.0880 0.0031 -0.5108 12 VAL C C 3109 O O . VAL C 12 ? 0.6654 1.3155 0.6850 0.0782 0.0162 -0.4841 12 VAL C O 3110 C CB . VAL C 12 ? 0.6642 1.1680 0.6995 0.0809 0.0164 -0.4693 12 VAL C CB 3111 C CG1 . VAL C 12 ? 0.6883 1.0905 0.7213 0.0739 0.0031 -0.4698 12 VAL C CG1 3112 C CG2 . VAL C 12 ? 0.6077 1.1568 0.6568 0.0652 0.0433 -0.4180 12 VAL C CG2 3113 N N . ARG C 13 ? 0.7318 1.3545 0.7316 0.1222 -0.0097 -0.5541 13 ARG C N 3114 C CA . ARG C 13 ? 0.7325 1.4590 0.7195 0.1458 -0.0036 -0.5690 13 ARG C CA 3115 C C . ARG C 13 ? 0.6891 1.4957 0.6781 0.1527 0.0281 -0.5284 13 ARG C C 3116 O O . ARG C 13 ? 0.6763 1.4796 0.6766 0.1589 0.0387 -0.5189 13 ARG C O 3117 C CB . ARG C 13 ? 0.7952 1.5300 0.7630 0.1840 -0.0279 -0.6329 13 ARG C CB 3118 N N . GLN C 14 ? 0.6777 1.5528 0.6505 0.1490 0.0407 -0.5046 14 GLN C N 3119 C CA . GLN C 14 ? 0.6593 1.5963 0.6175 0.1447 0.0683 -0.4593 14 GLN C CA 3120 C C . GLN C 14 ? 0.6712 1.6806 0.6269 0.1643 0.0806 -0.4804 14 GLN C C 3121 O O . GLN C 14 ? 0.7035 1.7605 0.6518 0.1946 0.0684 -0.5329 14 GLN C O 3122 C CB . GLN C 14 ? 0.6768 1.6697 0.5999 0.1455 0.0708 -0.4398 14 GLN C CB 3123 C CG . GLN C 14 ? 0.6805 1.6994 0.5724 0.1295 0.0941 -0.3798 14 GLN C CG 3124 C CD . GLN C 14 ? 0.7223 1.8088 0.5609 0.1382 0.0951 -0.3673 14 GLN C CD 3125 O OE1 . GLN C 14 ? 0.7438 1.9008 0.5691 0.1593 0.0900 -0.4078 14 GLN C OE1 3126 N NE2 . GLN C 14 ? 0.7425 1.8017 0.5431 0.1249 0.0986 -0.3118 14 GLN C NE2 3127 N N . GLY C 15 ? 0.6506 1.6746 0.6128 0.1472 0.1032 -0.4435 15 GLY C N 3128 C CA . GLY C 15 ? 0.6607 1.7754 0.6275 0.1603 0.1181 -0.4636 15 GLY C CA 3129 C C . GLY C 15 ? 0.6603 1.7448 0.6602 0.1883 0.1016 -0.5099 15 GLY C C 3130 O O . GLY C 15 ? 0.6763 1.8498 0.6830 0.2157 0.1051 -0.5480 15 GLY C O 3131 N N . GLU C 16 ? 0.6515 1.6146 0.6673 0.1833 0.0819 -0.5083 16 GLU C N 3132 C CA . GLU C 16 ? 0.6642 1.5701 0.6993 0.2077 0.0618 -0.5427 16 GLU C CA 3133 C C . GLU C 16 ? 0.6268 1.4697 0.6832 0.1798 0.0718 -0.4988 16 GLU C C 3134 O O . GLU C 16 ? 0.5910 1.4301 0.6473 0.1427 0.0927 -0.4450 16 GLU C O 3135 C CB . GLU C 16 ? 0.7110 1.5159 0.7328 0.2249 0.0241 -0.5844 16 GLU C CB 3136 C CG . GLU C 16 ? 0.7623 1.6207 0.7627 0.2639 0.0056 -0.6440 16 GLU C CG 3137 C CD . GLU C 16 ? 0.8291 1.5690 0.8082 0.2745 -0.0366 -0.6865 16 GLU C CD 3138 O OE1 . GLU C 16 ? 0.8301 1.4567 0.8090 0.2392 -0.0461 -0.6615 16 GLU C OE1 3139 O OE2 . GLU C 16 ? 0.8877 1.6483 0.8460 0.3155 -0.0611 -0.7462 16 GLU C OE2 3140 N N . ASN C 17 ? 0.6441 1.4338 0.7128 0.2022 0.0530 -0.5243 17 ASN C N 3141 C CA . ASN C 17 ? 0.6164 1.3505 0.7039 0.1816 0.0591 -0.4900 17 ASN C CA 3142 C C . ASN C 17 ? 0.6251 1.2215 0.7040 0.1610 0.0416 -0.4733 17 ASN C C 3143 O O . ASN C 17 ? 0.6788 1.1954 0.7386 0.1781 0.0110 -0.5073 17 ASN C O 3144 C CB . ASN C 17 ? 0.6334 1.3974 0.7368 0.2198 0.0476 -0.5262 17 ASN C CB 3145 C CG . ASN C 17 ? 0.6182 1.5437 0.7390 0.2276 0.0727 -0.5369 17 ASN C CG 3146 O OD1 . ASN C 17 ? 0.6191 1.6319 0.7285 0.2165 0.0918 -0.5320 17 ASN C OD1 3147 N ND2 . ASN C 17 ? 0.6168 1.5899 0.7627 0.2446 0.0724 -0.5526 17 ASN C ND2 3148 N N . SER C 18 ? 0.5842 1.1524 0.6718 0.1223 0.0596 -0.4220 18 SER C N 3149 C CA . SER C 18 ? 0.5897 1.0496 0.6722 0.0982 0.0483 -0.4044 18 SER C CA 3150 C C . SER C 18 ? 0.5738 0.9873 0.6687 0.0913 0.0505 -0.3830 18 SER C C 3151 O O . SER C 18 ? 0.5420 1.0098 0.6547 0.0868 0.0696 -0.3617 18 SER C O 3152 C CB . SER C 18 ? 0.5632 1.0287 0.6441 0.0670 0.0614 -0.3720 18 SER C CB 3153 O OG . SER C 18 ? 0.5369 1.0723 0.6215 0.0600 0.0850 -0.3399 18 SER C OG 3154 N N . VAL C 19 ? 0.6067 0.9174 0.6865 0.0865 0.0293 -0.3889 19 VAL C N 3155 C CA . VAL C 19 ? 0.6022 0.8582 0.6853 0.0847 0.0253 -0.3739 19 VAL C CA 3156 C C . VAL C 19 ? 0.5995 0.7788 0.6720 0.0453 0.0268 -0.3438 19 VAL C C 3157 O O . VAL C 19 ? 0.6363 0.7655 0.6868 0.0266 0.0146 -0.3523 19 VAL C O 3158 C CB . VAL C 19 ? 0.6707 0.8650 0.7308 0.1234 -0.0085 -0.4131 19 VAL C CB 3159 C CG1 . VAL C 19 ? 0.6530 0.8733 0.7324 0.1439 -0.0070 -0.4107 19 VAL C CG1 3160 C CG2 . VAL C 19 ? 0.7106 0.9467 0.7608 0.1633 -0.0251 -0.4625 19 VAL C CG2 3161 N N . LEU C 20 ? 0.5610 0.7389 0.6487 0.0303 0.0416 -0.3114 20 LEU C N 3162 C CA . LEU C 20 ? 0.5569 0.6796 0.6365 -0.0034 0.0451 -0.2856 20 LEU C CA 3163 C C . LEU C 20 ? 0.5690 0.6348 0.6416 -0.0015 0.0380 -0.2747 20 LEU C C 3164 O O . LEU C 20 ? 0.5464 0.6459 0.6380 0.0170 0.0427 -0.2723 20 LEU C O 3165 C CB . LEU C 20 ? 0.5039 0.6824 0.6034 -0.0205 0.0683 -0.2575 20 LEU C CB 3166 C CG . LEU C 20 ? 0.4896 0.7362 0.5942 -0.0163 0.0762 -0.2621 20 LEU C CG 3167 C CD1 . LEU C 20 ? 0.4598 0.7408 0.5728 -0.0234 0.0918 -0.2319 20 LEU C CD1 3168 C CD2 . LEU C 20 ? 0.5252 0.7596 0.6168 -0.0292 0.0649 -0.2832 20 LEU C CD2 3169 N N . GLN C 21 ? 0.6114 0.5960 0.6540 -0.0249 0.0266 -0.2684 21 GLN C N 3170 C CA . GLN C 21 ? 0.6392 0.5578 0.6625 -0.0232 0.0156 -0.2582 21 GLN C CA 3171 C C . GLN C 21 ? 0.6085 0.5271 0.6364 -0.0556 0.0332 -0.2277 21 GLN C C 3172 O O . GLN C 21 ? 0.5926 0.5395 0.6261 -0.0837 0.0467 -0.2194 21 GLN C O 3173 C CB . GLN C 21 ? 0.7388 0.5455 0.7052 -0.0246 -0.0166 -0.2731 21 GLN C CB 3174 C CG . GLN C 21 ? 0.7935 0.5843 0.7434 0.0037 -0.0397 -0.3098 21 GLN C CG 3175 C CD . GLN C 21 ? 0.7951 0.6229 0.7612 0.0621 -0.0525 -0.3369 21 GLN C CD 3176 O OE1 . GLN C 21 ? 0.8248 0.6174 0.7797 0.0853 -0.0673 -0.3371 21 GLN C OE1 3177 N NE2 . GLN C 21 ? 0.7698 0.6796 0.7618 0.0870 -0.0473 -0.3627 21 GLN C NE2 3178 N N . CYS C 22 ? 0.6042 0.4993 0.6300 -0.0476 0.0309 -0.2159 22 CYS C N 3179 C CA . CYS C 22 ? 0.5876 0.4774 0.6114 -0.0722 0.0434 -0.1921 22 CYS C CA 3180 C C . CYS C 22 ? 0.6353 0.4504 0.6238 -0.0682 0.0260 -0.1868 22 CYS C C 3181 O O . CYS C 22 ? 0.6432 0.4495 0.6355 -0.0349 0.0117 -0.1974 22 CYS C O 3182 C CB . CYS C 22 ? 0.5213 0.4807 0.5862 -0.0635 0.0627 -0.1802 22 CYS C CB 3183 S SG . CYS C 22 ? 0.5169 0.4717 0.5783 -0.0811 0.0731 -0.1597 22 CYS C SG 3184 N N . ASN C 23 ? 0.6720 0.4418 0.6241 -0.1029 0.0268 -0.1716 23 ASN C N 3185 C CA . ASN C 23 ? 0.7300 0.4231 0.6359 -0.1046 0.0104 -0.1610 23 ASN C CA 3186 C C . ASN C 23 ? 0.7064 0.4279 0.6132 -0.1314 0.0299 -0.1412 23 ASN C C 3187 O O . ASN C 23 ? 0.6984 0.4581 0.6074 -0.1667 0.0477 -0.1357 23 ASN C O 3188 C CB . ASN C 23 ? 0.8407 0.4256 0.6750 -0.1263 -0.0147 -0.1615 23 ASN C CB 3189 C CG . ASN C 23 ? 0.8839 0.4259 0.7073 -0.0871 -0.0429 -0.1880 23 ASN C CG 3190 O OD1 . ASN C 23 ? 0.9021 0.4253 0.7240 -0.0397 -0.0637 -0.2011 23 ASN C OD1 3191 N ND2 . ASN C 23 ? 0.9039 0.4386 0.7203 -0.1037 -0.0457 -0.2007 23 ASN C ND2 3192 N N . TYR C 24 ? 0.6972 0.4105 0.6037 -0.1122 0.0255 -0.1351 24 TYR C N 3193 C CA . TYR C 24 ? 0.6747 0.4208 0.5831 -0.1289 0.0420 -0.1219 24 TYR C CA 3194 C C . TYR C 24 ? 0.7424 0.4199 0.5960 -0.1323 0.0264 -0.1100 24 TYR C C 3195 O O . TYR C 24 ? 0.7979 0.4044 0.6192 -0.1102 -0.0002 -0.1134 24 TYR C O 3196 C CB . TYR C 24 ? 0.5935 0.4108 0.5598 -0.1030 0.0544 -0.1269 24 TYR C CB 3197 C CG . TYR C 24 ? 0.5713 0.3813 0.5567 -0.0688 0.0399 -0.1351 24 TYR C CG 3198 C CD1 . TYR C 24 ? 0.5871 0.3725 0.5577 -0.0569 0.0283 -0.1328 24 TYR C CD1 3199 C CD2 . TYR C 24 ? 0.5327 0.3732 0.5512 -0.0500 0.0382 -0.1476 24 TYR C CD2 3200 C CE1 . TYR C 24 ? 0.5732 0.3692 0.5662 -0.0279 0.0144 -0.1450 24 TYR C CE1 3201 C CE2 . TYR C 24 ? 0.5214 0.3787 0.5615 -0.0236 0.0271 -0.1591 24 TYR C CE2 3202 C CZ . TYR C 24 ? 0.5402 0.3774 0.5697 -0.0131 0.0148 -0.1587 24 TYR C CZ 3203 O OH . TYR C 24 ? 0.5367 0.4064 0.5920 0.0108 0.0031 -0.1745 24 TYR C OH 3204 N N . SER C 25 ? 0.7430 0.4461 0.5828 -0.1555 0.0411 -0.0988 25 SER C N 3205 C CA . SER C 25 ? 0.8049 0.4545 0.5898 -0.1600 0.0292 -0.0858 25 SER C CA 3206 C C . SER C 25 ? 0.7521 0.4624 0.5684 -0.1418 0.0402 -0.0899 25 SER C C 3207 O O . SER C 25 ? 0.7923 0.4783 0.5686 -0.1441 0.0339 -0.0816 25 SER C O 3208 C CB . SER C 25 ? 0.8874 0.5003 0.6031 -0.2167 0.0344 -0.0669 25 SER C CB 3209 O OG . SER C 25 ? 0.8468 0.5585 0.5905 -0.2465 0.0651 -0.0696 25 SER C OG 3210 N N . VAL C 26 ? 0.6736 0.4543 0.5544 -0.1230 0.0533 -0.1029 26 VAL C N 3211 C CA . VAL C 26 ? 0.6343 0.4631 0.5429 -0.1051 0.0601 -0.1105 26 VAL C CA 3212 C C . VAL C 26 ? 0.6486 0.4446 0.5527 -0.0789 0.0408 -0.1134 26 VAL C C 3213 O O . VAL C 26 ? 0.6357 0.4191 0.5640 -0.0580 0.0275 -0.1202 26 VAL C O 3214 C CB . VAL C 26 ? 0.5694 0.4531 0.5344 -0.0898 0.0703 -0.1212 26 VAL C CB 3215 C CG1 . VAL C 26 ? 0.5493 0.4575 0.5331 -0.0684 0.0691 -0.1303 26 VAL C CG1 3216 C CG2 . VAL C 26 ? 0.5562 0.4870 0.5261 -0.1104 0.0872 -0.1230 26 VAL C CG2 3217 N N . THR C 27 ? 0.6787 0.4732 0.5521 -0.0810 0.0394 -0.1115 27 THR C N 3218 C CA . THR C 27 ? 0.6921 0.4666 0.5614 -0.0565 0.0207 -0.1178 27 THR C CA 3219 C C . THR C 27 ? 0.6667 0.4865 0.5578 -0.0458 0.0271 -0.1310 27 THR C C 3220 O O . THR C 27 ? 0.6815 0.5319 0.5510 -0.0566 0.0400 -0.1319 27 THR C O 3221 C CB . THR C 27 ? 0.7726 0.4872 0.5702 -0.0626 0.0047 -0.1047 27 THR C CB 3222 O OG1 . THR C 27 ? 0.8172 0.4691 0.5838 -0.0674 -0.0088 -0.0948 27 THR C OG1 3223 C CG2 . THR C 27 ? 0.7839 0.4868 0.5798 -0.0324 -0.0177 -0.1153 27 THR C CG2 3224 N N . PRO C 28 ? 0.6382 0.4649 0.5693 -0.0261 0.0166 -0.1439 28 PRO C N 3225 C CA . PRO C 28 ? 0.6224 0.4398 0.5843 -0.0172 0.0046 -0.1470 28 PRO C CA 3226 C C . PRO C 28 ? 0.5838 0.4238 0.5834 -0.0245 0.0178 -0.1447 28 PRO C C 3227 O O . PRO C 28 ? 0.5704 0.4289 0.5732 -0.0321 0.0328 -0.1419 28 PRO C O 3228 C CB . PRO C 28 ? 0.6189 0.4464 0.6026 -0.0055 -0.0091 -0.1621 28 PRO C CB 3229 C CG . PRO C 28 ? 0.6191 0.4558 0.5944 -0.0047 -0.0026 -0.1682 28 PRO C CG 3230 C CD . PRO C 28 ? 0.6283 0.4768 0.5748 -0.0140 0.0151 -0.1591 28 PRO C CD 3231 N N . ASP C 29 ? 0.5700 0.4172 0.5961 -0.0195 0.0112 -0.1487 29 ASP C N 3232 C CA . ASP C 29 ? 0.5395 0.4123 0.5964 -0.0267 0.0232 -0.1463 29 ASP C CA 3233 C C . ASP C 29 ? 0.5206 0.4231 0.6151 -0.0300 0.0200 -0.1530 29 ASP C C 3234 O O . ASP C 29 ? 0.5186 0.4472 0.6327 -0.0245 0.0118 -0.1632 29 ASP C O 3235 C CB . ASP C 29 ? 0.5499 0.4137 0.5985 -0.0228 0.0209 -0.1463 29 ASP C CB 3236 C CG . ASP C 29 ? 0.5986 0.4329 0.6238 -0.0030 -0.0021 -0.1549 29 ASP C CG 3237 O OD1 . ASP C 29 ? 0.6491 0.4361 0.6267 -0.0035 -0.0106 -0.1473 29 ASP C OD1 3238 O OD2 . ASP C 29 ? 0.5988 0.4606 0.6487 0.0145 -0.0132 -0.1704 29 ASP C OD2 3239 N N . ASN C 30 ? 0.5183 0.4174 0.6183 -0.0395 0.0242 -0.1492 30 ASN C N 3240 C CA . ASN C 30 ? 0.5222 0.4342 0.6450 -0.0555 0.0199 -0.1508 30 ASN C CA 3241 C C . ASN C 30 ? 0.5058 0.4532 0.6499 -0.0691 0.0310 -0.1443 30 ASN C C 3242 O O . ASN C 30 ? 0.5006 0.4931 0.6698 -0.0785 0.0292 -0.1526 30 ASN C O 3243 C CB . ASN C 30 ? 0.5492 0.4227 0.6559 -0.0602 0.0152 -0.1474 30 ASN C CB 3244 C CG . ASN C 30 ? 0.5792 0.4456 0.6953 -0.0886 0.0094 -0.1426 30 ASN C CG 3245 O OD1 . ASN C 30 ? 0.5897 0.4426 0.6980 -0.1010 0.0147 -0.1282 30 ASN C OD1 3246 N ND2 . ASN C 30 ? 0.5951 0.4702 0.7229 -0.1028 -0.0028 -0.1539 30 ASN C ND2 3247 N N . HIS C 31 ? 0.4995 0.4380 0.6338 -0.0686 0.0422 -0.1327 31 HIS C N 3248 C CA . HIS C 31 ? 0.4868 0.4588 0.6340 -0.0797 0.0532 -0.1257 31 HIS C CA 3249 C C . HIS C 31 ? 0.4665 0.4408 0.6050 -0.0666 0.0626 -0.1232 31 HIS C C 3250 O O . HIS C 31 ? 0.4649 0.4173 0.5869 -0.0555 0.0623 -0.1246 31 HIS C O 3251 C CB . HIS C 31 ? 0.5186 0.4734 0.6564 -0.1034 0.0534 -0.1103 31 HIS C CB 3252 C CG . HIS C 31 ? 0.5568 0.4559 0.6640 -0.0910 0.0475 -0.1023 31 HIS C CG 3253 N ND1 . HIS C 31 ? 0.6235 0.4668 0.7079 -0.0967 0.0319 -0.0994 31 HIS C ND1 3254 C CD2 . HIS C 31 ? 0.5542 0.4502 0.6494 -0.0697 0.0519 -0.1014 31 HIS C CD2 3255 C CE1 . HIS C 31 ? 0.6457 0.4530 0.7039 -0.0718 0.0252 -0.0991 31 HIS C CE1 3256 N NE2 . HIS C 31 ? 0.6119 0.4594 0.6796 -0.0562 0.0386 -0.1007 31 HIS C NE2 3257 N N . LEU C 32 ? 0.4543 0.4642 0.6035 -0.0717 0.0713 -0.1213 32 LEU C N 3258 C CA . LEU C 32 ? 0.4411 0.4583 0.5832 -0.0637 0.0791 -0.1202 32 LEU C CA 3259 C C . LEU C 32 ? 0.4466 0.4834 0.5862 -0.0744 0.0867 -0.1076 32 LEU C C 3260 O O . LEU C 32 ? 0.4572 0.5185 0.6040 -0.0923 0.0894 -0.1021 32 LEU C O 3261 C CB . LEU C 32 ? 0.4328 0.4674 0.5811 -0.0524 0.0770 -0.1360 32 LEU C CB 3262 C CG . LEU C 32 ? 0.4315 0.4626 0.5679 -0.0486 0.0812 -0.1387 32 LEU C CG 3263 C CD1 . LEU C 32 ? 0.4565 0.4506 0.5739 -0.0422 0.0707 -0.1490 32 LEU C CD1 3264 C CD2 . LEU C 32 ? 0.4217 0.4975 0.5691 -0.0473 0.0877 -0.1436 32 LEU C CD2 3265 N N . ARG C 33 ? 0.4456 0.4770 0.5717 -0.0658 0.0897 -0.1032 33 ARG C N 3266 C CA . ARG C 33 ? 0.4628 0.5028 0.5749 -0.0702 0.0928 -0.0895 33 ARG C CA 3267 C C . ARG C 33 ? 0.4483 0.5175 0.5602 -0.0579 0.0979 -0.0972 33 ARG C C 3268 O O . ARG C 33 ? 0.4389 0.5063 0.5517 -0.0478 0.0968 -0.1077 33 ARG C O 3269 C CB . ARG C 33 ? 0.5023 0.4904 0.5865 -0.0656 0.0814 -0.0763 33 ARG C CB 3270 C CG . ARG C 33 ? 0.5520 0.5226 0.6048 -0.0735 0.0777 -0.0556 33 ARG C CG 3271 C CD . ARG C 33 ? 0.6241 0.5202 0.6385 -0.0625 0.0575 -0.0456 33 ARG C CD 3272 N NE . ARG C 33 ? 0.6627 0.5149 0.6718 -0.0847 0.0496 -0.0405 33 ARG C NE 3273 C CZ . ARG C 33 ? 0.7255 0.5435 0.7084 -0.1212 0.0453 -0.0191 33 ARG C CZ 3274 N NH1 . ARG C 33 ? 0.7622 0.5836 0.7171 -0.1389 0.0494 0.0023 33 ARG C NH1 3275 N NH2 . ARG C 33 ? 0.7539 0.5366 0.7350 -0.1449 0.0368 -0.0186 33 ARG C NH2 3276 N N . TRP C 34 ? 0.4511 0.5545 0.5607 -0.0631 0.1041 -0.0932 34 TRP C N 3277 C CA . TRP C 34 ? 0.4432 0.5759 0.5491 -0.0519 0.1065 -0.1010 34 TRP C CA 3278 C C . TRP C 34 ? 0.4774 0.5992 0.5538 -0.0448 0.1011 -0.0839 34 TRP C C 3279 O O . TRP C 34 ? 0.5138 0.6217 0.5670 -0.0580 0.1006 -0.0630 34 TRP C O 3280 C CB . TRP C 34 ? 0.4333 0.6148 0.5508 -0.0547 0.1136 -0.1133 34 TRP C CB 3281 C CG . TRP C 34 ? 0.4156 0.5982 0.5517 -0.0489 0.1106 -0.1366 34 TRP C CG 3282 C CD1 . TRP C 34 ? 0.4134 0.6016 0.5635 -0.0491 0.1085 -0.1446 34 TRP C CD1 3283 C CD2 . TRP C 34 ? 0.4111 0.5824 0.5459 -0.0420 0.1049 -0.1555 34 TRP C CD2 3284 N NE1 . TRP C 34 ? 0.4174 0.5881 0.5693 -0.0352 0.0985 -0.1669 34 TRP C NE1 3285 C CE2 . TRP C 34 ? 0.4232 0.5756 0.5623 -0.0352 0.0963 -0.1717 34 TRP C CE2 3286 C CE3 . TRP C 34 ? 0.4133 0.5884 0.5405 -0.0432 0.1040 -0.1614 34 TRP C CE3 3287 C CZ2 . TRP C 34 ? 0.4470 0.5628 0.5723 -0.0320 0.0845 -0.1893 34 TRP C CZ2 3288 C CZ3 . TRP C 34 ? 0.4318 0.5848 0.5532 -0.0480 0.0964 -0.1800 34 TRP C CZ3 3289 C CH2 . TRP C 34 ? 0.4509 0.5640 0.5661 -0.0437 0.0857 -0.1915 34 TRP C CH2 3290 N N . PHE C 35 ? 0.4762 0.6046 0.5488 -0.0255 0.0952 -0.0933 35 PHE C N 3291 C CA . PHE C 35 ? 0.5141 0.6349 0.5556 -0.0059 0.0836 -0.0836 35 PHE C CA 3292 C C . PHE C 35 ? 0.5063 0.6826 0.5498 0.0015 0.0865 -0.0948 35 PHE C C 3293 O O . PHE C 35 ? 0.4698 0.6851 0.5411 -0.0054 0.0945 -0.1161 35 PHE C O 3294 C CB . PHE C 35 ? 0.5226 0.6305 0.5609 0.0195 0.0710 -0.0947 35 PHE C CB 3295 C CG . PHE C 35 ? 0.5568 0.5979 0.5755 0.0232 0.0594 -0.0832 35 PHE C CG 3296 C CD1 . PHE C 35 ? 0.6279 0.6062 0.5979 0.0377 0.0391 -0.0644 35 PHE C CD1 3297 C CD2 . PHE C 35 ? 0.5261 0.5577 0.5668 0.0131 0.0647 -0.0917 35 PHE C CD2 3298 C CE1 . PHE C 35 ? 0.6669 0.5705 0.6124 0.0400 0.0237 -0.0566 35 PHE C CE1 3299 C CE2 . PHE C 35 ? 0.5595 0.5306 0.5815 0.0175 0.0517 -0.0853 35 PHE C CE2 3300 C CZ . PHE C 35 ? 0.6298 0.5352 0.6052 0.0303 0.0307 -0.0690 35 PHE C CZ 3301 N N . LYS C 36 ? 0.5517 0.7225 0.5586 0.0153 0.0767 -0.0804 36 LYS C N 3302 C CA . LYS C 36 ? 0.5522 0.7776 0.5557 0.0283 0.0752 -0.0924 36 LYS C CA 3303 C C . LYS C 36 ? 0.5839 0.8119 0.5667 0.0653 0.0547 -0.0988 36 LYS C C 3304 O O . LYS C 36 ? 0.6493 0.8188 0.5862 0.0839 0.0366 -0.0782 36 LYS C O 3305 C CB . LYS C 36 ? 0.5858 0.8186 0.5582 0.0159 0.0803 -0.0726 36 LYS C CB 3306 C CG . LYS C 36 ? 0.5928 0.8828 0.5558 0.0319 0.0768 -0.0856 36 LYS C CG 3307 C CD . LYS C 36 ? 0.6225 0.9382 0.5613 0.0141 0.0878 -0.0715 36 LYS C CD 3308 C CE . LYS C 36 ? 0.6213 1.0002 0.5530 0.0306 0.0847 -0.0898 36 LYS C CE 3309 N NZ . LYS C 36 ? 0.6835 1.0448 0.5608 0.0565 0.0645 -0.0722 36 LYS C NZ 3310 N N . GLN C 37 ? 0.5498 0.8451 0.5626 0.0758 0.0546 -0.1294 37 GLN C N 3311 C CA . GLN C 37 ? 0.5744 0.9021 0.5770 0.1156 0.0345 -0.1455 37 GLN C CA 3312 C C . GLN C 37 ? 0.5796 0.9741 0.5800 0.1268 0.0295 -0.1607 37 GLN C C 3313 O O . GLN C 37 ? 0.5363 0.9955 0.5746 0.1065 0.0408 -0.1865 37 GLN C O 3314 C CB . GLN C 37 ? 0.5373 0.9095 0.5790 0.1176 0.0374 -0.1741 37 GLN C CB 3315 C CG . GLN C 37 ? 0.5705 0.9622 0.5968 0.1688 0.0129 -0.1899 37 GLN C CG 3316 C CD . GLN C 37 ? 0.5254 1.0206 0.5966 0.1699 0.0181 -0.2299 37 GLN C CD 3317 O OE1 . GLN C 37 ? 0.4758 1.0055 0.5828 0.1242 0.0406 -0.2391 37 GLN C OE1 3318 N NE2 . GLN C 37 ? 0.5555 1.1020 0.6197 0.2220 -0.0047 -0.2547 37 GLN C NE2 3319 N N . ASP C 38 ? 0.6460 1.0159 0.5945 0.1573 0.0099 -0.1437 38 ASP C N 3320 C CA . ASP C 38 ? 0.6662 1.1002 0.6040 0.1790 -0.0014 -0.1593 38 ASP C CA 3321 C C . ASP C 38 ? 0.6524 1.1726 0.6235 0.2088 -0.0146 -0.2006 38 ASP C C 3322 O O . ASP C 38 ? 0.6606 1.1751 0.6378 0.2322 -0.0249 -0.2102 38 ASP C O 3323 C CB . ASP C 38 ? 0.7581 1.1313 0.6179 0.2081 -0.0244 -0.1271 38 ASP C CB 3324 C CG . ASP C 38 ? 0.7779 1.1081 0.6060 0.1697 -0.0072 -0.0916 38 ASP C CG 3325 O OD1 . ASP C 38 ? 0.7400 1.1313 0.5933 0.1470 0.0109 -0.1043 38 ASP C OD1 3326 O OD2 . ASP C 38 ? 0.8423 1.0813 0.6176 0.1612 -0.0134 -0.0534 38 ASP C OD2 3327 N N . THR C 39 ? 0.6356 1.2450 0.6287 0.2071 -0.0148 -0.2287 39 THR C N 3328 C CA . THR C 39 ? 0.6202 1.3378 0.6517 0.2257 -0.0249 -0.2730 39 THR C CA 3329 C C . THR C 39 ? 0.6847 1.4076 0.6780 0.2969 -0.0605 -0.2790 39 THR C C 3330 O O . THR C 39 ? 0.7381 1.4611 0.6877 0.3332 -0.0833 -0.2742 39 THR C O 3331 C CB . THR C 39 ? 0.5952 1.4057 0.6555 0.2033 -0.0201 -0.3035 39 THR C CB 3332 O OG1 . THR C 39 ? 0.6450 1.4464 0.6584 0.2327 -0.0367 -0.2916 39 THR C OG1 3333 C CG2 . THR C 39 ? 0.5523 1.3416 0.6418 0.1393 0.0075 -0.3025 39 THR C CG2 3334 N N . GLY C 40 ? 0.6897 1.4114 0.6931 0.3207 -0.0681 -0.2904 40 GLY C N 3335 C CA . GLY C 40 ? 0.7625 1.4833 0.7278 0.3985 -0.1078 -0.3038 40 GLY C CA 3336 C C . GLY C 40 ? 0.8418 1.4076 0.7361 0.4261 -0.1279 -0.2635 40 GLY C C 3337 O O . GLY C 40 ? 0.9400 1.4524 0.7683 0.4901 -0.1689 -0.2584 40 GLY C O 3338 N N . LYS C 41 ? 0.8103 1.2986 0.7127 0.3778 -0.1028 -0.2357 41 LYS C N 3339 C CA . LYS C 41 ? 0.8839 1.2230 0.7222 0.3887 -0.1190 -0.1973 41 LYS C CA 3340 C C . LYS C 41 ? 0.8330 1.1408 0.7070 0.3500 -0.0949 -0.1931 41 LYS C C 3341 O O . LYS C 41 ? 0.7496 1.1493 0.6910 0.3230 -0.0693 -0.2206 41 LYS C O 3342 C CB . LYS C 41 ? 0.9351 1.1804 0.7123 0.3606 -0.1175 -0.1473 41 LYS C CB 3343 N N . GLY C 42 ? 0.8917 1.0670 0.7146 0.3438 -0.1046 -0.1577 42 GLY C N 3344 C CA . GLY C 42 ? 0.8551 0.9917 0.7032 0.3133 -0.0877 -0.1536 42 GLY C CA 3345 C C . GLY C 42 ? 0.7932 0.9132 0.6675 0.2416 -0.0510 -0.1262 42 GLY C C 3346 O O . GLY C 42 ? 0.7789 0.9163 0.6508 0.2146 -0.0375 -0.1104 42 GLY C O 3347 N N . LEU C 43 ? 0.7605 0.8531 0.6589 0.2159 -0.0371 -0.1248 43 LEU C N 3348 C CA . LEU C 43 ? 0.7081 0.7865 0.6318 0.1565 -0.0072 -0.1044 43 LEU C CA 3349 C C . LEU C 43 ? 0.7761 0.7506 0.6466 0.1340 -0.0144 -0.0639 43 LEU C C 3350 O O . LEU C 43 ? 0.8568 0.7403 0.6788 0.1526 -0.0401 -0.0524 43 LEU C O 3351 C CB . LEU C 43 ? 0.6529 0.7480 0.6200 0.1396 0.0079 -0.1205 43 LEU C CB 3352 C CG . LEU C 43 ? 0.5764 0.7724 0.5979 0.1294 0.0269 -0.1519 43 LEU C CG 3353 C CD1 . LEU C 43 ? 0.5881 0.8527 0.6152 0.1737 0.0116 -0.1852 43 LEU C CD1 3354 C CD2 . LEU C 43 ? 0.5328 0.7157 0.5793 0.0985 0.0436 -0.1522 43 LEU C CD2 3355 N N . VAL C 44 ? 0.7527 0.7434 0.6291 0.0924 0.0067 -0.0449 44 VAL C N 3356 C CA . VAL C 44 ? 0.8125 0.7311 0.6433 0.0566 0.0065 -0.0070 44 VAL C CA 3357 C C . VAL C 44 ? 0.7486 0.7006 0.6263 0.0094 0.0355 -0.0064 44 VAL C C 3358 O O . VAL C 44 ? 0.6782 0.7090 0.6012 0.0001 0.0562 -0.0235 44 VAL C O 3359 C CB . VAL C 44 ? 0.8670 0.7858 0.6474 0.0528 0.0024 0.0162 44 VAL C CB 3360 C CG1 . VAL C 44 ? 0.9346 0.7933 0.6666 0.0017 0.0074 0.0570 44 VAL C CG1 3361 C CG2 . VAL C 44 ? 0.9472 0.8237 0.6714 0.1075 -0.0332 0.0154 44 VAL C CG2 3362 N N . SER C 45 ? 0.7829 0.6722 0.6462 -0.0172 0.0326 0.0102 45 SER C N 3363 C CA . SER C 45 ? 0.7302 0.6532 0.6373 -0.0561 0.0547 0.0069 45 SER C CA 3364 C C . SER C 45 ? 0.7250 0.7040 0.6338 -0.0926 0.0750 0.0193 45 SER C C 3365 O O . SER C 45 ? 0.8001 0.7462 0.6561 -0.1193 0.0713 0.0498 45 SER C O 3366 C CB . SER C 45 ? 0.7774 0.6235 0.6657 -0.0765 0.0430 0.0191 45 SER C CB 3367 O OG . SER C 45 ? 0.7232 0.6134 0.6580 -0.1077 0.0615 0.0104 45 SER C OG 3368 N N . LEU C 46 ? 0.6466 0.7079 0.6100 -0.0935 0.0942 -0.0053 46 LEU C N 3369 C CA . LEU C 46 ? 0.6351 0.7703 0.6098 -0.1191 0.1134 -0.0056 46 LEU C CA 3370 C C . LEU C 46 ? 0.6290 0.7885 0.6282 -0.1541 0.1240 -0.0063 46 LEU C C 3371 O O . LEU C 46 ? 0.6635 0.8604 0.6466 -0.1917 0.1352 0.0090 46 LEU C O 3372 C CB . LEU C 46 ? 0.5707 0.7776 0.5845 -0.0947 0.1221 -0.0381 46 LEU C CB 3373 C CG . LEU C 46 ? 0.5700 0.7866 0.5700 -0.0658 0.1149 -0.0456 46 LEU C CG 3374 C CD1 . LEU C 46 ? 0.5089 0.7873 0.5467 -0.0525 0.1221 -0.0802 46 LEU C CD1 3375 C CD2 . LEU C 46 ? 0.6374 0.8526 0.5829 -0.0726 0.1123 -0.0191 46 LEU C CD2 3376 N N . THR C 47 ? 0.5914 0.7383 0.6276 -0.1434 0.1204 -0.0252 47 THR C N 3377 C CA . THR C 47 ? 0.5787 0.7621 0.6461 -0.1673 0.1273 -0.0346 47 THR C CA 3378 C C . THR C 47 ? 0.5549 0.6966 0.6457 -0.1526 0.1166 -0.0486 47 THR C C 3379 O O . THR C 47 ? 0.5332 0.6431 0.6278 -0.1218 0.1094 -0.0590 47 THR C O 3380 C CB . THR C 47 ? 0.5375 0.8249 0.6420 -0.1613 0.1414 -0.0622 47 THR C CB 3381 O OG1 . THR C 47 ? 0.5390 0.8816 0.6692 -0.1872 0.1475 -0.0710 47 THR C OG1 3382 C CG2 . THR C 47 ? 0.4850 0.7728 0.6170 -0.1189 0.1351 -0.0931 47 THR C CG2 3383 N N . VAL C 48 ? 0.5676 0.7185 0.6725 -0.1783 0.1163 -0.0497 48 VAL C N 3384 C CA . VAL C 48 ? 0.5515 0.6708 0.6764 -0.1652 0.1055 -0.0642 48 VAL C CA 3385 C C . VAL C 48 ? 0.5191 0.7128 0.6870 -0.1623 0.1091 -0.0913 48 VAL C C 3386 O O . VAL C 48 ? 0.5238 0.7977 0.7075 -0.1837 0.1196 -0.0971 48 VAL C O 3387 C CB . VAL C 48 ? 0.6042 0.6547 0.7040 -0.1918 0.0930 -0.0467 48 VAL C CB 3388 C CG1 . VAL C 48 ? 0.5923 0.5807 0.6901 -0.1608 0.0785 -0.0567 48 VAL C CG1 3389 C CG2 . VAL C 48 ? 0.6795 0.6734 0.7252 -0.2154 0.0884 -0.0148 48 VAL C CG2 3390 N N . LEU C 49 ? 0.4961 0.6676 0.6786 -0.1343 0.0988 -0.1094 49 LEU C N 3391 C CA . LEU C 49 ? 0.4799 0.7061 0.6945 -0.1218 0.0937 -0.1368 49 LEU C CA 3392 C C . LEU C 49 ? 0.4893 0.6711 0.7046 -0.1200 0.0796 -0.1399 49 LEU C C 3393 O O . LEU C 49 ? 0.4894 0.6058 0.6865 -0.1009 0.0720 -0.1365 49 LEU C O 3394 C CB . LEU C 49 ? 0.4609 0.6973 0.6803 -0.0822 0.0894 -0.1589 49 LEU C CB 3395 C CG . LEU C 49 ? 0.4528 0.7434 0.6744 -0.0766 0.1000 -0.1659 49 LEU C CG 3396 C CD1 . LEU C 49 ? 0.4484 0.6893 0.6508 -0.0528 0.0957 -0.1686 49 LEU C CD1 3397 C CD2 . LEU C 49 ? 0.4497 0.8346 0.7001 -0.0609 0.0978 -0.1988 49 LEU C CD2 3398 N N . VAL C 50 ? 0.5002 0.7275 0.7360 -0.1430 0.0767 -0.1481 50 VAL C N 3399 C CA . VAL C 50 ? 0.5154 0.7034 0.7497 -0.1488 0.0624 -0.1505 50 VAL C CA 3400 C C . VAL C 50 ? 0.5020 0.7350 0.7620 -0.1207 0.0484 -0.1813 50 VAL C C 3401 O O . VAL C 50 ? 0.5082 0.6887 0.7549 -0.0989 0.0339 -0.1858 50 VAL C O 3402 C CB . VAL C 50 ? 0.5578 0.7446 0.7868 -0.2034 0.0636 -0.1354 50 VAL C CB 3403 C CG1 . VAL C 50 ? 0.5809 0.7153 0.8033 -0.2074 0.0455 -0.1404 50 VAL C CG1 3404 C CG2 . VAL C 50 ? 0.5916 0.7173 0.7808 -0.2259 0.0705 -0.1033 50 VAL C CG2 3405 N N . ASP C 51 ? 0.4923 0.8266 0.7851 -0.1181 0.0509 -0.2045 51 ASP C N 3406 C CA . ASP C 51 ? 0.4899 0.8812 0.8079 -0.0859 0.0324 -0.2397 51 ASP C CA 3407 C C . ASP C 51 ? 0.4936 0.8326 0.7894 -0.0272 0.0146 -0.2530 51 ASP C C 3408 O O . ASP C 51 ? 0.4894 0.7765 0.7606 -0.0151 0.0206 -0.2406 51 ASP C O 3409 C CB . ASP C 51 ? 0.4829 1.0174 0.8442 -0.0962 0.0395 -0.2671 51 ASP C CB 3410 C CG . ASP C 51 ? 0.4975 1.0901 0.8769 -0.1654 0.0531 -0.2563 51 ASP C CG 3411 O OD1 . ASP C 51 ? 0.5197 1.0288 0.8688 -0.2074 0.0608 -0.2206 51 ASP C OD1 3412 O OD2 . ASP C 51 ? 0.4956 1.2187 0.9163 -0.1786 0.0538 -0.2857 51 ASP C OD2 3413 N N . GLN C 52 ? 0.5108 0.8604 0.8103 0.0061 -0.0098 -0.2780 52 GLN C N 3414 C CA . GLN C 52 ? 0.5412 0.8283 0.8061 0.0609 -0.0346 -0.2906 52 GLN C CA 3415 C C . GLN C 52 ? 0.5473 0.8530 0.8087 0.0917 -0.0367 -0.3069 52 GLN C C 3416 O O . GLN C 52 ? 0.5765 0.7913 0.7939 0.1132 -0.0463 -0.2988 52 GLN C O 3417 C CB . GLN C 52 ? 0.5685 0.8872 0.8401 0.0962 -0.0649 -0.3210 52 GLN C CB 3418 C CG . GLN C 52 ? 0.6292 0.8455 0.8427 0.1461 -0.0963 -0.3235 52 GLN C CG 3419 C CD . GLN C 52 ? 0.6527 0.7620 0.8206 0.1253 -0.0937 -0.2896 52 GLN C CD 3420 O OE1 . GLN C 52 ? 0.6181 0.7351 0.8025 0.0853 -0.0758 -0.2731 52 GLN C OE1 3421 N NE2 . GLN C 52 ? 0.7097 0.7172 0.8140 0.1519 -0.1135 -0.2804 52 GLN C NE2 3422 N N . LYS C 53 ? 0.5280 0.9558 0.8333 0.0906 -0.0282 -0.3320 53 LYS C N 3423 C CA . LYS C 53 ? 0.5311 0.9946 0.8377 0.1146 -0.0253 -0.3496 53 LYS C CA 3424 C C . LYS C 53 ? 0.4941 1.0601 0.8370 0.0659 0.0083 -0.3412 53 LYS C C 3425 O O . LYS C 53 ? 0.4856 1.1854 0.8713 0.0572 0.0138 -0.3671 53 LYS C O 3426 C CB . LYS C 53 ? 0.5662 1.0874 0.8801 0.1821 -0.0579 -0.4018 53 LYS C CB 3427 C CG . LYS C 53 ? 0.6318 1.0181 0.8843 0.2351 -0.0952 -0.4063 53 LYS C CG 3428 C CD . LYS C 53 ? 0.6916 1.1266 0.9434 0.3121 -0.1350 -0.4623 53 LYS C CD 3429 C CE . LYS C 53 ? 0.7881 1.0628 0.9599 0.3630 -0.1762 -0.4641 53 LYS C CE 3430 N NZ . LYS C 53 ? 0.8270 0.9832 0.9497 0.3558 -0.1928 -0.4344 53 LYS C NZ 3431 N N . ASP C 54 ? 0.4806 0.9865 0.8023 0.0318 0.0299 -0.3045 54 ASP C N 3432 C CA . ASP C 54 ? 0.4618 1.0350 0.7992 -0.0191 0.0597 -0.2860 54 ASP C CA 3433 C C . ASP C 54 ? 0.4593 1.0614 0.7894 -0.0049 0.0699 -0.2929 54 ASP C C 3434 O O . ASP C 54 ? 0.4697 1.0080 0.7762 0.0356 0.0553 -0.3032 54 ASP C O 3435 C CB . ASP C 54 ? 0.4607 0.9466 0.7746 -0.0672 0.0724 -0.2400 54 ASP C CB 3436 C CG . ASP C 54 ? 0.4701 1.0170 0.7950 -0.1296 0.0925 -0.2212 54 ASP C CG 3437 O OD1 . ASP C 54 ? 0.4687 1.1336 0.8171 -0.1447 0.1055 -0.2369 54 ASP C OD1 3438 O OD2 . ASP C 54 ? 0.4899 0.9641 0.7940 -0.1654 0.0939 -0.1910 54 ASP C OD2 3439 N N . LYS C 55 ? 0.4554 1.1534 0.8009 -0.0428 0.0939 -0.2872 55 LYS C N 3440 C CA . LYS C 55 ? 0.4571 1.2038 0.7962 -0.0342 0.1063 -0.2948 55 LYS C CA 3441 C C . LYS C 55 ? 0.4638 1.2519 0.7941 -0.0995 0.1353 -0.2592 55 LYS C C 3442 O O . LYS C 55 ? 0.4724 1.3720 0.8249 -0.1382 0.1496 -0.2641 55 LYS C O 3443 C CB . LYS C 55 ? 0.4622 1.3365 0.8318 0.0118 0.0968 -0.3511 55 LYS C CB 3444 N N . THR C 56 ? 0.4700 1.1672 0.7631 -0.1132 0.1420 -0.2236 56 THR C N 3445 C CA . THR C 56 ? 0.4978 1.1972 0.7631 -0.1698 0.1623 -0.1835 56 THR C CA 3446 C C . THR C 56 ? 0.5037 1.2512 0.7521 -0.1617 0.1748 -0.1856 56 THR C C 3447 O O . THR C 56 ? 0.4862 1.2335 0.7405 -0.1112 0.1651 -0.2145 56 THR C O 3448 C CB . THR C 56 ? 0.5143 1.0729 0.7431 -0.1868 0.1552 -0.1422 56 THR C CB 3449 O OG1 . THR C 56 ? 0.5654 1.1066 0.7535 -0.2349 0.1676 -0.1030 56 THR C OG1 3450 C CG2 . THR C 56 ? 0.4923 0.9679 0.7079 -0.1412 0.1434 -0.1458 56 THR C CG2 3451 N N . SER C 57 ? 0.5406 1.3219 0.7608 -0.2135 0.1939 -0.1545 57 SER C N 3452 C CA . SER C 57 ? 0.5542 1.3948 0.7532 -0.2107 0.2073 -0.1551 57 SER C CA 3453 C C . SER C 57 ? 0.6135 1.4180 0.7545 -0.2686 0.2202 -0.1020 57 SER C C 3454 O O . SER C 57 ? 0.6570 1.5039 0.7847 -0.3305 0.2334 -0.0802 57 SER C O 3455 C CB . SER C 57 ? 0.5445 1.5564 0.7803 -0.2018 0.2196 -0.1997 57 SER C CB 3456 O OG . SER C 57 ? 0.5551 1.6228 0.7741 -0.1815 0.2277 -0.2123 57 SER C OG 3457 N N . ASN C 58 ? 0.6256 1.3499 0.7271 -0.2496 0.2137 -0.0820 58 ASN C N 3458 C CA . ASN C 58 ? 0.6963 1.3664 0.7295 -0.2915 0.2180 -0.0318 58 ASN C CA 3459 C C . ASN C 58 ? 0.7029 1.3996 0.7077 -0.2664 0.2215 -0.0336 58 ASN C C 3460 O O . ASN C 58 ? 0.6773 1.3134 0.6825 -0.2198 0.2066 -0.0431 58 ASN C O 3461 C CB . ASN C 58 ? 0.7255 1.2392 0.7255 -0.2923 0.1970 0.0010 58 ASN C CB 3462 C CG . ASN C 58 ? 0.8285 1.2642 0.7456 -0.3373 0.1933 0.0546 58 ASN C CG 3463 O OD1 . ASN C 58 ? 0.8821 1.3785 0.7622 -0.3813 0.2095 0.0744 58 ASN C OD1 3464 N ND2 . ASN C 58 ? 0.8648 1.1630 0.7458 -0.3249 0.1695 0.0774 58 ASN C ND2 3465 N N . GLY C 59 ? 0.7428 1.5388 0.7221 -0.3014 0.2417 -0.0255 59 GLY C N 3466 C CA . GLY C 59 ? 0.7550 1.5944 0.7044 -0.2800 0.2464 -0.0297 59 GLY C CA 3467 C C . GLY C 59 ? 0.6843 1.5994 0.6895 -0.2171 0.2432 -0.0906 59 GLY C C 3468 O O . GLY C 59 ? 0.6505 1.6671 0.7055 -0.2068 0.2506 -0.1314 59 GLY C O 3469 N N . ARG C 60 ? 0.6722 1.5356 0.6656 -0.1738 0.2286 -0.0994 60 ARG C N 3470 C CA . ARG C 60 ? 0.6230 1.5245 0.6579 -0.1164 0.2186 -0.1556 60 ARG C CA 3471 C C . ARG C 60 ? 0.5764 1.3957 0.6529 -0.0884 0.1999 -0.1747 60 ARG C C 3472 O O . ARG C 60 ? 0.5509 1.3893 0.6602 -0.0475 0.1884 -0.2214 60 ARG C O 3473 C CB . ARG C 60 ? 0.6357 1.5186 0.6396 -0.0897 0.2096 -0.1588 60 ARG C CB 3474 C CG . ARG C 60 ? 0.6919 1.6503 0.6439 -0.1131 0.2255 -0.1389 60 ARG C CG 3475 C CD . ARG C 60 ? 0.7033 1.6555 0.6312 -0.0778 0.2131 -0.1529 60 ARG C CD 3476 N NE . ARG C 60 ? 0.6887 1.5249 0.6166 -0.0577 0.1908 -0.1429 60 ARG C NE 3477 C CZ . ARG C 60 ? 0.7291 1.4838 0.6121 -0.0716 0.1825 -0.0971 60 ARG C CZ 3478 N NH1 . ARG C 60 ? 0.8032 1.5539 0.6265 -0.1101 0.1918 -0.0503 60 ARG C NH1 3479 N NH2 . ARG C 60 ? 0.7058 1.3821 0.5985 -0.0474 0.1627 -0.0995 60 ARG C NH2 3480 N N . TYR C 61 ? 0.5774 1.2990 0.6439 -0.1098 0.1943 -0.1384 62 TYR C N 3481 C CA . TYR C 61 ? 0.5384 1.1853 0.6367 -0.0914 0.1793 -0.1499 62 TYR C CA 3482 C C . TYR C 61 ? 0.5228 1.2176 0.6573 -0.1003 0.1835 -0.1664 62 TYR C C 3483 O O . TYR C 61 ? 0.5457 1.2930 0.6751 -0.1412 0.1984 -0.1479 62 TYR C O 3484 C CB . TYR C 61 ? 0.5507 1.0883 0.6241 -0.1061 0.1708 -0.1106 62 TYR C CB 3485 C CG . TYR C 61 ? 0.5749 1.0744 0.6077 -0.0981 0.1645 -0.0911 62 TYR C CG 3486 C CD1 . TYR C 61 ? 0.6306 1.0928 0.6103 -0.1247 0.1649 -0.0480 62 TYR C CD1 3487 C CD2 . TYR C 61 ? 0.5521 1.0480 0.5942 -0.0644 0.1545 -0.1169 62 TYR C CD2 3488 C CE1 . TYR C 61 ? 0.6623 1.0889 0.6001 -0.1083 0.1535 -0.0328 62 TYR C CE1 3489 C CE2 . TYR C 61 ? 0.5751 1.0508 0.5841 -0.0540 0.1467 -0.1040 62 TYR C CE2 3490 C CZ . TYR C 61 ? 0.6289 1.0721 0.5863 -0.0712 0.1453 -0.0628 62 TYR C CZ 3491 O OH . TYR C 61 ? 0.6587 1.0818 0.5789 -0.0522 0.1323 -0.0527 62 TYR C OH 3492 N N . SER C 62 ? 0.4934 1.1696 0.6598 -0.0638 0.1682 -0.2015 63 SER C N 3493 C CA . SER C 62 ? 0.4814 1.1862 0.6811 -0.0617 0.1646 -0.2195 63 SER C CA 3494 C C . SER C 62 ? 0.4665 1.0742 0.6747 -0.0305 0.1420 -0.2323 63 SER C C 3495 O O . SER C 62 ? 0.4713 1.0368 0.6706 0.0003 0.1281 -0.2518 63 SER C O 3496 C CB . SER C 62 ? 0.4825 1.3189 0.7083 -0.0392 0.1681 -0.2652 63 SER C CB 3497 O OG . SER C 62 ? 0.4870 1.3088 0.7140 0.0153 0.1486 -0.3070 63 SER C OG 3498 N N . ALA C 63 ? 0.4574 1.0281 0.6772 -0.0435 0.1377 -0.2206 64 ALA C N 3499 C CA . ALA C 63 ? 0.4490 0.9258 0.6678 -0.0214 0.1181 -0.2259 64 ALA C CA 3500 C C . ALA C 63 ? 0.4472 0.9454 0.6899 -0.0036 0.1049 -0.2503 64 ALA C C 3501 O O . ALA C 63 ? 0.4436 1.0236 0.7093 -0.0220 0.1141 -0.2537 64 ALA C O 3502 C CB . ALA C 63 ? 0.4464 0.8375 0.6463 -0.0467 0.1207 -0.1874 64 ALA C CB 3503 N N . THR C 64 ? 0.4581 0.8833 0.6905 0.0295 0.0818 -0.2670 65 THR C N 3504 C CA . THR C 64 ? 0.4682 0.8936 0.7124 0.0555 0.0619 -0.2900 65 THR C CA 3505 C C . THR C 64 ? 0.4782 0.7857 0.6964 0.0556 0.0473 -0.2721 65 THR C C 3506 O O . THR C 64 ? 0.4942 0.7220 0.6823 0.0548 0.0429 -0.2617 65 THR C O 3507 C CB . THR C 64 ? 0.5020 0.9575 0.7453 0.1116 0.0376 -0.3397 65 THR C CB 3508 O OG1 . THR C 64 ? 0.5366 0.8930 0.7408 0.1297 0.0213 -0.3430 65 THR C OG1 3509 C CG2 . THR C 64 ? 0.4920 1.0884 0.7634 0.1172 0.0521 -0.3662 65 THR C CG2 3510 N N . LEU C 65 ? 0.4733 0.7793 0.7022 0.0536 0.0404 -0.2703 66 LEU C N 3511 C CA . LEU C 65 ? 0.4853 0.6915 0.6867 0.0534 0.0272 -0.2544 66 LEU C CA 3512 C C . LEU C 65 ? 0.5189 0.7124 0.7139 0.0921 -0.0020 -0.2805 66 LEU C C 3513 O O . LEU C 65 ? 0.5106 0.7904 0.7393 0.1036 -0.0059 -0.3027 66 LEU C O 3514 C CB . LEU C 65 ? 0.4571 0.6534 0.6661 0.0139 0.0437 -0.2230 66 LEU C CB 3515 C CG . LEU C 65 ? 0.4698 0.5932 0.6580 0.0130 0.0323 -0.2112 66 LEU C CG 3516 C CD1 . LEU C 65 ? 0.4875 0.5243 0.6346 0.0144 0.0281 -0.1988 66 LEU C CD1 3517 C CD2 . LEU C 65 ? 0.4536 0.5820 0.6532 -0.0199 0.0449 -0.1900 66 LEU C CD2 3518 N N . ASP C 66 ? 0.5642 0.6520 0.7117 0.1097 -0.0239 -0.2776 67 ASP C N 3519 C CA . ASP C 66 ? 0.6133 0.6591 0.7360 0.1475 -0.0571 -0.2952 67 ASP C CA 3520 C C . ASP C 66 ? 0.6312 0.5820 0.7139 0.1255 -0.0596 -0.2642 67 ASP C C 3521 O O . ASP C 66 ? 0.6713 0.5301 0.7049 0.1131 -0.0635 -0.2470 67 ASP C O 3522 C CB . ASP C 66 ? 0.6864 0.6799 0.7696 0.1965 -0.0908 -0.3251 67 ASP C CB 3523 C CG . ASP C 66 ? 0.7552 0.7126 0.8094 0.2490 -0.1326 -0.3500 67 ASP C CG 3524 O OD1 . ASP C 66 ? 0.7377 0.7286 0.8107 0.2473 -0.1335 -0.3471 67 ASP C OD1 3525 O OD2 . ASP C 66 ? 0.8418 0.7309 0.8492 0.2952 -0.1689 -0.3746 67 ASP C OD2 3526 N N . LYS C 67 ? 0.6048 0.5856 0.7076 0.1167 -0.0567 -0.2588 68 LYS C N 3527 C CA . LYS C 67 ? 0.6131 0.5249 0.6832 0.0946 -0.0546 -0.2317 68 LYS C CA 3528 C C . LYS C 67 ? 0.6937 0.5114 0.6994 0.1220 -0.0879 -0.2333 68 LYS C C 3529 O O . LYS C 67 ? 0.7252 0.4705 0.6847 0.0999 -0.0859 -0.2082 68 LYS C O 3530 C CB . LYS C 67 ? 0.5696 0.5377 0.6775 0.0766 -0.0438 -0.2283 68 LYS C CB 3531 C CG . LYS C 67 ? 0.5119 0.5214 0.6533 0.0373 -0.0129 -0.2113 68 LYS C CG 3532 C CD . LYS C 67 ? 0.4962 0.5383 0.6625 0.0181 -0.0097 -0.2094 68 LYS C CD 3533 C CE . LYS C 67 ? 0.4658 0.5177 0.6465 -0.0184 0.0132 -0.1896 68 LYS C CE 3534 N NZ . LYS C 67 ? 0.4662 0.5315 0.6617 -0.0398 0.0108 -0.1892 68 LYS C NZ 3535 N N . ASP C 68 ? 0.7377 0.5591 0.7355 0.1713 -0.1200 -0.2639 69 ASP C N 3536 C CA . ASP C 68 ? 0.8395 0.5522 0.7610 0.2051 -0.1604 -0.2661 69 ASP C CA 3537 C C . ASP C 68 ? 0.9066 0.5084 0.7633 0.1934 -0.1684 -0.2518 69 ASP C C 3538 O O . ASP C 68 ? 0.9934 0.4787 0.7709 0.1823 -0.1859 -0.2293 69 ASP C O 3539 C CB . ASP C 68 ? 0.8786 0.6318 0.8093 0.2720 -0.1988 -0.3098 69 ASP C CB 3540 C CG . ASP C 68 ? 0.8203 0.6809 0.8084 0.2769 -0.1949 -0.3248 69 ASP C CG 3541 N N . ALA C 69 ? 0.8719 0.5122 0.7590 0.1900 -0.1550 -0.2639 70 ALA C N 3542 C CA . ALA C 69 ? 0.9258 0.4749 0.7613 0.1700 -0.1589 -0.2531 70 ALA C CA 3543 C C . ALA C 69 ? 0.8772 0.4262 0.7168 0.1034 -0.1202 -0.2166 70 ALA C C 3544 O O . ALA C 69 ? 0.9299 0.4024 0.7206 0.0723 -0.1213 -0.2021 70 ALA C O 3545 C CB . ALA C 69 ? 0.9127 0.5130 0.7800 0.1973 -0.1618 -0.2858 70 ALA C CB 3546 N N . LYS C 70 ? 0.7827 0.4191 0.6786 0.0830 -0.0891 -0.2055 71 LYS C N 3547 C CA . LYS C 70 ? 0.7252 0.3898 0.6388 0.0333 -0.0532 -0.1801 71 LYS C CA 3548 C C . LYS C 70 ? 0.6953 0.3871 0.6287 0.0155 -0.0362 -0.1828 71 LYS C C 3549 O O . LYS C 70 ? 0.7034 0.3728 0.6159 -0.0219 -0.0226 -0.1666 71 LYS C O 3550 C CB . LYS C 70 ? 0.7792 0.3716 0.6325 0.0007 -0.0533 -0.1537 71 LYS C CB 3551 C CG . LYS C 70 ? 0.8047 0.3859 0.6428 0.0159 -0.0654 -0.1496 71 LYS C CG 3552 C CD . LYS C 70 ? 0.7787 0.3841 0.6160 -0.0191 -0.0405 -0.1290 71 LYS C CD 3553 C CE . LYS C 70 ? 0.7959 0.3934 0.6176 -0.0016 -0.0542 -0.1286 71 LYS C CE 3554 N NZ . LYS C 70 ? 0.7769 0.4103 0.6030 -0.0282 -0.0308 -0.1163 71 LYS C NZ 3555 N N . HIS C 71 ? 0.6604 0.4155 0.6366 0.0415 -0.0359 -0.2054 72 HIS C N 3556 C CA . HIS C 71 ? 0.6567 0.4294 0.6414 0.0377 -0.0298 -0.2159 72 HIS C CA 3557 C C . HIS C 71 ? 0.5847 0.4678 0.6313 0.0478 -0.0108 -0.2281 72 HIS C C 3558 O O . HIS C 71 ? 0.5599 0.5009 0.6378 0.0677 -0.0126 -0.2399 72 HIS C O 3559 C CB . HIS C 71 ? 0.7491 0.4417 0.6837 0.0674 -0.0658 -0.2386 72 HIS C CB 3560 C CG . HIS C 71 ? 0.7522 0.4687 0.6969 0.0747 -0.0655 -0.2594 72 HIS C CG 3561 N ND1 . HIS C 71 ? 0.7379 0.5309 0.7186 0.1163 -0.0706 -0.2921 72 HIS C ND1 3562 C CD2 . HIS C 71 ? 0.7767 0.4611 0.7007 0.0445 -0.0606 -0.2550 72 HIS C CD2 3563 C CE1 . HIS C 71 ? 0.7499 0.5504 0.7282 0.1150 -0.0696 -0.3066 72 HIS C CE1 3564 N NE2 . HIS C 71 ? 0.7753 0.5078 0.7203 0.0716 -0.0646 -0.2847 72 HIS C NE2 3565 N N . SER C 72 ? 0.5597 0.4747 0.6195 0.0302 0.0066 -0.2251 73 SER C N 3566 C CA . SER C 72 ? 0.5085 0.5201 0.6132 0.0314 0.0261 -0.2298 73 SER C CA 3567 C C . SER C 72 ? 0.5200 0.5489 0.6211 0.0341 0.0279 -0.2437 73 SER C C 3568 O O . SER C 72 ? 0.5554 0.5263 0.6264 0.0205 0.0216 -0.2417 73 SER C O 3569 C CB . SER C 72 ? 0.4582 0.4992 0.5832 0.0017 0.0502 -0.2015 73 SER C CB 3570 O OG . SER C 72 ? 0.4217 0.5353 0.5727 -0.0042 0.0668 -0.1992 73 SER C OG 3571 N N . THR C 73 ? 0.4994 0.6137 0.6291 0.0473 0.0368 -0.2583 74 THR C N 3572 C CA . THR C 73 ? 0.5124 0.6559 0.6388 0.0551 0.0377 -0.2761 74 THR C CA 3573 C C . THR C 73 ? 0.4700 0.7096 0.6236 0.0417 0.0633 -0.2659 74 THR C C 3574 O O . THR C 73 ? 0.4517 0.7640 0.6292 0.0438 0.0725 -0.2686 74 THR C O 3575 C CB . THR C 73 ? 0.5632 0.7060 0.6782 0.1003 0.0109 -0.3194 74 THR C CB 3576 O OG1 . THR C 73 ? 0.6295 0.6643 0.7050 0.1142 -0.0187 -0.3254 74 THR C OG1 3577 C CG2 . THR C 73 ? 0.5844 0.7388 0.6874 0.1086 0.0071 -0.3409 74 THR C CG2 3578 N N . LEU C 74 ? 0.4632 0.7042 0.6083 0.0252 0.0734 -0.2544 75 LEU C N 3579 C CA . LEU C 74 ? 0.4415 0.7573 0.5959 0.0139 0.0932 -0.2422 75 LEU C CA 3580 C C . LEU C 74 ? 0.4600 0.8287 0.6104 0.0339 0.0901 -0.2718 75 LEU C C 3581 O O . LEU C 74 ? 0.4844 0.8144 0.6186 0.0429 0.0764 -0.2901 75 LEU C O 3582 C CB . LEU C 74 ? 0.4268 0.7175 0.5710 -0.0093 0.1029 -0.2114 75 LEU C CB 3583 C CG . LEU C 74 ? 0.4204 0.7629 0.5579 -0.0207 0.1177 -0.1911 75 LEU C CG 3584 C CD1 . LEU C 74 ? 0.4113 0.7962 0.5555 -0.0352 0.1292 -0.1765 75 LEU C CD1 3585 C CD2 . LEU C 74 ? 0.4196 0.7254 0.5427 -0.0308 0.1184 -0.1664 75 LEU C CD2 3586 N N . HIS C 75 ? 0.4545 0.9155 0.6170 0.0364 0.1032 -0.2771 76 HIS C N 3587 C CA . HIS C 75 ? 0.4711 1.0034 0.6299 0.0575 0.1030 -0.3078 76 HIS C CA 3588 C C . HIS C 75 ? 0.4637 1.0528 0.6103 0.0332 0.1243 -0.2813 76 HIS C C 3589 O O . HIS C 75 ? 0.4563 1.0709 0.6020 0.0034 0.1414 -0.2480 76 HIS C O 3590 C CB . HIS C 75 ? 0.4813 1.0997 0.6604 0.0839 0.1006 -0.3431 76 HIS C CB 3591 C CG . HIS C 75 ? 0.5066 1.0689 0.6898 0.1176 0.0735 -0.3719 76 HIS C CG 3592 N ND1 . HIS C 75 ? 0.5583 1.0961 0.7265 0.1647 0.0446 -0.4195 76 HIS C ND1 3593 C CD2 . HIS C 75 ? 0.5025 1.0207 0.6949 0.1137 0.0669 -0.3603 76 HIS C CD2 3594 C CE1 . HIS C 75 ? 0.5896 1.0632 0.7528 0.1893 0.0198 -0.4334 76 HIS C CE1 3595 N NE2 . HIS C 75 ? 0.5509 1.0177 0.7308 0.1588 0.0342 -0.3980 76 HIS C NE2 3596 N N . ILE C 76 ? 0.4775 1.0776 0.6077 0.0447 0.1199 -0.2958 77 ILE C N 3597 C CA . ILE C 76 ? 0.4852 1.1498 0.5956 0.0310 0.1361 -0.2782 77 ILE C CA 3598 C C . ILE C 76 ? 0.5065 1.2604 0.6160 0.0591 0.1345 -0.3219 77 ILE C C 3599 O O . ILE C 76 ? 0.5230 1.2547 0.6269 0.0858 0.1161 -0.3568 77 ILE C O 3600 C CB . ILE C 76 ? 0.4874 1.1018 0.5764 0.0234 0.1312 -0.2584 77 ILE C CB 3601 C CG1 . ILE C 76 ? 0.4692 1.0035 0.5602 0.0046 0.1297 -0.2243 77 ILE C CG1 3602 C CG2 . ILE C 76 ? 0.5108 1.1847 0.5685 0.0137 0.1437 -0.2377 77 ILE C CG2 3603 C CD1 . ILE C 76 ? 0.4626 0.9535 0.5460 0.0065 0.1189 -0.2231 77 ILE C CD1 3604 N N . THR C 77 ? 0.5143 1.3722 0.6276 0.0507 0.1531 -0.3224 78 THR C N 3605 C CA . THR C 77 ? 0.5367 1.5084 0.6488 0.0776 0.1559 -0.3657 78 THR C CA 3606 C C . THR C 77 ? 0.5589 1.5746 0.6339 0.0614 0.1691 -0.3452 78 THR C C 3607 O O . THR C 77 ? 0.5680 1.5816 0.6177 0.0197 0.1867 -0.2934 78 THR C O 3608 C CB . THR C 77 ? 0.5338 1.6252 0.6698 0.0723 0.1724 -0.3800 78 THR C CB 3609 O OG1 . THR C 77 ? 0.5202 1.5703 0.6881 0.0938 0.1556 -0.4011 78 THR C OG1 3610 C CG2 . THR C 77 ? 0.5575 1.7854 0.6941 0.1061 0.1752 -0.4325 78 THR C CG2 3611 N N . ALA C 78 ? 0.5803 1.6262 0.6449 0.0961 0.1565 -0.3868 79 ALA C N 3612 C CA . ALA C 78 ? 0.6067 1.6949 0.6333 0.0900 0.1636 -0.3757 79 ALA C CA 3613 C C . ALA C 78 ? 0.6050 1.5968 0.6083 0.0663 0.1593 -0.3276 79 ALA C C 3614 O O . ALA C 78 ? 0.6222 1.6148 0.5939 0.0334 0.1742 -0.2768 79 ALA C O 3615 C CB . ALA C 78 ? 0.6289 1.8475 0.6335 0.0652 0.1929 -0.3599 79 ALA C CB 3616 N N . THR C 79 ? 0.5959 1.5053 0.6109 0.0832 0.1364 -0.3462 80 THR C N 3617 C CA . THR C 79 ? 0.5902 1.4224 0.5937 0.0676 0.1295 -0.3120 80 THR C CA 3618 C C . THR C 79 ? 0.6196 1.4918 0.5818 0.0675 0.1310 -0.2959 80 THR C C 3619 O O . THR C 79 ? 0.6408 1.5730 0.5911 0.0879 0.1257 -0.3300 80 THR C O 3620 C CB . THR C 79 ? 0.5798 1.3366 0.6045 0.0781 0.1064 -0.3409 80 THR C CB 3621 O OG1 . THR C 79 ? 0.5802 1.3077 0.6286 0.0908 0.0973 -0.3720 80 THR C OG1 3622 C CG2 . THR C 79 ? 0.5637 1.2492 0.5928 0.0576 0.1047 -0.3047 80 THR C CG2 3623 N N . LEU C 80 ? 0.6325 1.4660 0.5673 0.0487 0.1346 -0.2457 81 LEU C N 3624 C CA . LEU C 80 ? 0.6755 1.5273 0.5611 0.0535 0.1293 -0.2253 81 LEU C CA 3625 C C . LEU C 80 ? 0.6651 1.4726 0.5607 0.0699 0.1072 -0.2356 81 LEU C C 3626 O O . LEU C 80 ? 0.6291 1.3841 0.5637 0.0668 0.1005 -0.2456 81 LEU C O 3627 C CB . LEU C 80 ? 0.7207 1.5458 0.5550 0.0270 0.1394 -0.1644 81 LEU C CB 3628 C CG . LEU C 80 ? 0.7512 1.6321 0.5626 -0.0049 0.1642 -0.1434 81 LEU C CG 3629 C CD1 . LEU C 80 ? 0.8151 1.6304 0.5654 -0.0389 0.1662 -0.0783 81 LEU C CD1 3630 C CD2 . LEU C 80 ? 0.7795 1.7724 0.5663 0.0032 0.1742 -0.1671 81 LEU C CD2 3631 N N . LEU C 81 ? 0.7013 1.5394 0.5599 0.0859 0.0958 -0.2344 82 LEU C N 3632 C CA . LEU C 81 ? 0.6960 1.5147 0.5628 0.1022 0.0741 -0.2450 82 LEU C CA 3633 C C . LEU C 81 ? 0.6924 1.4395 0.5584 0.0979 0.0694 -0.2092 82 LEU C C 3634 O O . LEU C 81 ? 0.6600 1.3865 0.5647 0.0999 0.0601 -0.2266 82 LEU C O 3635 C CB . LEU C 81 ? 0.7462 1.6145 0.5646 0.1249 0.0603 -0.2454 82 LEU C CB 3636 C CG . LEU C 81 ? 0.7460 1.6839 0.5765 0.1411 0.0490 -0.2986 82 LEU C CG 3637 C CD1 . LEU C 81 ? 0.7999 1.7774 0.5774 0.1664 0.0319 -0.2902 82 LEU C CD1 3638 C CD2 . LEU C 81 ? 0.7034 1.6284 0.5928 0.1357 0.0364 -0.3421 82 LEU C CD2 3639 N N . ASP C 82 ? 0.7355 1.4453 0.5532 0.0889 0.0753 -0.1606 83 ASP C N 3640 C CA . ASP C 82 ? 0.7531 1.3833 0.5550 0.0901 0.0656 -0.1260 83 ASP C CA 3641 C C . ASP C 82 ? 0.6978 1.2842 0.5519 0.0710 0.0761 -0.1289 83 ASP C C 3642 O O . ASP C 82 ? 0.7122 1.2329 0.5564 0.0717 0.0688 -0.1043 83 ASP C O 3643 C CB . ASP C 82 ? 0.8398 1.4242 0.5609 0.0793 0.0647 -0.0716 83 ASP C CB 3644 C CG . ASP C 82 ? 0.9084 1.5248 0.5632 0.1000 0.0508 -0.0628 83 ASP C CG 3645 O OD1 . ASP C 82 ? 0.9193 1.5401 0.5672 0.1386 0.0251 -0.0782 83 ASP C OD1 3646 O OD2 . ASP C 82 ? 0.9519 1.5974 0.5598 0.0775 0.0653 -0.0417 83 ASP C OD2 3647 N N . ASP C 83 ? 0.6448 1.2623 0.5481 0.0583 0.0893 -0.1609 84 ASP C N 3648 C CA . ASP C 83 ? 0.5976 1.1745 0.5470 0.0437 0.0956 -0.1679 84 ASP C CA 3649 C C . ASP C 83 ? 0.5623 1.1321 0.5493 0.0503 0.0841 -0.1965 84 ASP C C 3650 O O . ASP C 83 ? 0.5318 1.0662 0.5506 0.0372 0.0876 -0.2024 84 ASP C O 3651 C CB . ASP C 83 ? 0.5760 1.1799 0.5504 0.0315 0.1100 -0.1884 84 ASP C CB 3652 C CG . ASP C 83 ? 0.6053 1.2240 0.5552 0.0130 0.1264 -0.1592 84 ASP C CG 3653 O OD1 . ASP C 83 ? 0.6524 1.2357 0.5610 0.0016 0.1261 -0.1171 84 ASP C OD1 3654 O OD2 . ASP C 83 ? 0.5986 1.2650 0.5672 0.0091 0.1376 -0.1804 84 ASP C OD2 3655 N N . THR C 84 ? 0.5714 1.1817 0.5522 0.0674 0.0703 -0.2146 85 THR C N 3656 C CA . THR C 84 ? 0.5457 1.1712 0.5611 0.0656 0.0605 -0.2436 85 THR C CA 3657 C C . THR C 84 ? 0.5403 1.1347 0.5593 0.0729 0.0557 -0.2254 85 THR C C 3658 O O . THR C 84 ? 0.5712 1.1743 0.5635 0.1013 0.0413 -0.2141 85 THR C O 3659 C CB . THR C 84 ? 0.5619 1.2557 0.5719 0.0812 0.0458 -0.2718 85 THR C CB 3660 O OG1 . THR C 84 ? 0.5774 1.2976 0.5796 0.0781 0.0489 -0.2915 85 THR C OG1 3661 C CG2 . THR C 84 ? 0.5390 1.2640 0.5887 0.0664 0.0381 -0.3057 85 THR C CG2 3662 N N . ALA C 85 ? 0.5100 1.0652 0.5568 0.0517 0.0649 -0.2245 86 ALA C N 3663 C CA . ALA C 85 ? 0.5047 1.0302 0.5569 0.0576 0.0623 -0.2110 86 ALA C CA 3664 C C . ALA C 85 ? 0.4718 0.9776 0.5588 0.0277 0.0721 -0.2232 86 ALA C C 3665 O O . ALA C 85 ? 0.4625 0.9623 0.5622 0.0042 0.0774 -0.2393 86 ALA C O 3666 C CB . ALA C 85 ? 0.5331 0.9960 0.5502 0.0668 0.0630 -0.1716 86 ALA C CB 3667 N N . THR C 86 ? 0.4662 0.9568 0.5610 0.0312 0.0714 -0.2168 87 THR C N 3668 C CA . THR C 86 ? 0.4465 0.9125 0.5636 0.0021 0.0809 -0.2219 87 THR C CA 3669 C C . THR C 86 ? 0.4460 0.8409 0.5535 0.0014 0.0870 -0.1949 87 THR C C 3670 O O . THR C 86 ? 0.4638 0.8322 0.5512 0.0227 0.0818 -0.1738 87 THR C O 3671 C CB . THR C 86 ? 0.4398 0.9540 0.5743 0.0021 0.0786 -0.2380 87 THR C CB 3672 O OG1 . THR C 86 ? 0.4485 1.0463 0.5938 0.0058 0.0710 -0.2652 87 THR C OG1 3673 C CG2 . THR C 86 ? 0.4309 0.9268 0.5800 -0.0391 0.0897 -0.2437 87 THR C CG2 3674 N N . TYR C 87 ? 0.4365 0.7958 0.5532 -0.0231 0.0944 -0.1971 88 TYR C N 3675 C CA . TYR C 87 ? 0.4356 0.7409 0.5481 -0.0248 0.0991 -0.1774 88 TYR C CA 3676 C C . TYR C 87 ? 0.4297 0.7032 0.5504 -0.0393 0.1015 -0.1770 88 TYR C C 3677 O O . TYR C 87 ? 0.4319 0.6993 0.5565 -0.0618 0.1021 -0.1909 88 TYR C O 3678 C CB . TYR C 87 ? 0.4388 0.7358 0.5509 -0.0299 0.1018 -0.1830 88 TYR C CB 3679 C CG . TYR C 87 ? 0.4520 0.7858 0.5506 -0.0166 0.1027 -0.1788 88 TYR C CG 3680 C CD1 . TYR C 87 ? 0.4612 0.8389 0.5565 -0.0109 0.0979 -0.1978 88 TYR C CD1 3681 C CD2 . TYR C 87 ? 0.4655 0.7933 0.5502 -0.0150 0.1083 -0.1554 88 TYR C CD2 3682 C CE1 . TYR C 87 ? 0.4770 0.8915 0.5533 0.0015 0.0987 -0.1932 88 TYR C CE1 3683 C CE2 . TYR C 87 ? 0.4841 0.8485 0.5470 -0.0099 0.1110 -0.1478 88 TYR C CE2 3684 C CZ . TYR C 87 ? 0.4888 0.8962 0.5465 0.0011 0.1061 -0.1666 88 TYR C CZ 3685 O OH . TYR C 87 ? 0.5200 0.9666 0.5503 0.0068 0.1085 -0.1587 88 TYR C OH 3686 N N . ILE C 88 ? 0.4339 0.6806 0.5495 -0.0286 0.1009 -0.1602 89 ILE C N 3687 C CA . ILE C 88 ? 0.4339 0.6624 0.5537 -0.0365 0.1023 -0.1610 89 ILE C CA 3688 C C . ILE C 88 ? 0.4368 0.6109 0.5543 -0.0415 0.1032 -0.1475 89 ILE C C 3689 O O . ILE C 88 ? 0.4466 0.5992 0.5575 -0.0322 0.1008 -0.1323 89 ILE C O 3690 C CB . ILE C 88 ? 0.4408 0.6953 0.5572 -0.0131 0.0962 -0.1639 89 ILE C CB 3691 C CG1 . ILE C 88 ? 0.4361 0.7650 0.5615 -0.0086 0.0943 -0.1851 89 ILE C CG1 3692 C CG2 . ILE C 88 ? 0.4416 0.6857 0.5604 -0.0187 0.0987 -0.1670 89 ILE C CG2 3693 C CD1 . ILE C 88 ? 0.4530 0.8138 0.5697 0.0323 0.0805 -0.1915 89 ILE C CD1 3694 N N . CYS C 89 ? 0.4390 0.5897 0.5567 -0.0593 0.1048 -0.1531 90 CYS C N 3695 C CA . CYS C 89 ? 0.4435 0.5491 0.5586 -0.0608 0.1025 -0.1450 90 CYS C CA 3696 C C . CYS C 89 ? 0.4451 0.5400 0.5557 -0.0575 0.1020 -0.1402 90 CYS C C 3697 O O . CYS C 89 ? 0.4480 0.5650 0.5544 -0.0658 0.1055 -0.1479 90 CYS C O 3698 C CB . CYS C 89 ? 0.4615 0.5343 0.5666 -0.0747 0.0978 -0.1536 90 CYS C CB 3699 S SG . CYS C 89 ? 0.4855 0.5102 0.5858 -0.0678 0.0894 -0.1491 90 CYS C SG 3700 N N . VAL C 90 ? 0.4475 0.5157 0.5581 -0.0478 0.0977 -0.1300 91 VAL C N 3701 C CA . VAL C 90 ? 0.4552 0.5067 0.5584 -0.0391 0.0932 -0.1288 91 VAL C CA 3702 C C . VAL C 90 ? 0.4612 0.4744 0.5642 -0.0440 0.0883 -0.1238 91 VAL C C 3703 O O . VAL C 90 ? 0.4614 0.4648 0.5716 -0.0471 0.0859 -0.1169 91 VAL C O 3704 C CB . VAL C 90 ? 0.4731 0.5201 0.5671 -0.0176 0.0847 -0.1241 91 VAL C CB 3705 C CG1 . VAL C 90 ? 0.4939 0.5126 0.5759 -0.0031 0.0747 -0.1278 91 VAL C CG1 3706 C CG2 . VAL C 90 ? 0.4725 0.5667 0.5662 -0.0040 0.0853 -0.1341 91 VAL C CG2 3707 N N . VAL C 91 ? 0.4679 0.4693 0.5614 -0.0468 0.0872 -0.1285 92 VAL C N 3708 C CA . VAL C 91 ? 0.4769 0.4460 0.5673 -0.0476 0.0796 -0.1271 92 VAL C CA 3709 C C . VAL C 91 ? 0.4934 0.4514 0.5745 -0.0358 0.0734 -0.1306 92 VAL C C 3710 O O . VAL C 91 ? 0.5010 0.4820 0.5722 -0.0288 0.0769 -0.1388 92 VAL C O 3711 C CB . VAL C 91 ? 0.4915 0.4428 0.5653 -0.0581 0.0781 -0.1293 92 VAL C CB 3712 C CG1 . VAL C 91 ? 0.5058 0.4281 0.5755 -0.0521 0.0661 -0.1302 92 VAL C CG1 3713 C CG2 . VAL C 91 ? 0.4869 0.4380 0.5612 -0.0648 0.0788 -0.1312 92 VAL C CG2 3714 N N . GLY C 92 ? 0.5048 0.4345 0.5886 -0.0339 0.0631 -0.1283 93 GLY C N 3715 C CA . GLY C 92 ? 0.5322 0.4380 0.6024 -0.0203 0.0516 -0.1351 93 GLY C CA 3716 C C . GLY C 92 ? 0.5411 0.4297 0.6068 -0.0226 0.0437 -0.1411 93 GLY C C 3717 O O . GLY C 92 ? 0.5445 0.4222 0.6223 -0.0339 0.0376 -0.1384 93 GLY C O 3718 N N . ASP C 93 ? 0.5502 0.4468 0.5981 -0.0119 0.0434 -0.1517 94 ASP C N 3719 C CA . ASP C 93 ? 0.5610 0.4462 0.5963 -0.0135 0.0369 -0.1564 94 ASP C CA 3720 C C . ASP C 93 ? 0.5812 0.4357 0.6200 -0.0103 0.0190 -0.1636 94 ASP C C 3721 O O . ASP C 93 ? 0.5837 0.4338 0.6247 -0.0155 0.0118 -0.1650 94 ASP C O 3722 C CB . ASP C 93 ? 0.5768 0.4876 0.5854 -0.0083 0.0436 -0.1646 94 ASP C CB 3723 C CG . ASP C 93 ? 0.5914 0.5266 0.5957 0.0147 0.0420 -0.1819 94 ASP C CG 3724 O OD1 . ASP C 93 ? 0.6196 0.5215 0.6255 0.0329 0.0252 -0.1909 94 ASP C OD1 3725 O OD2 . ASP C 93 ? 0.5870 0.5758 0.5827 0.0145 0.0555 -0.1887 94 ASP C OD2 3726 N N . ARG C 94 ? 0.6059 0.4355 0.6408 -0.0012 0.0083 -0.1700 95 ARG C N 3727 C CA . ARG C 94 ? 0.6388 0.4286 0.6722 -0.0070 -0.0113 -0.1769 95 ARG C CA 3728 C C . ARG C 94 ? 0.6536 0.4167 0.6966 -0.0299 -0.0153 -0.1633 95 ARG C C 3729 O O . ARG C 94 ? 0.6487 0.4136 0.6907 -0.0297 -0.0069 -0.1511 95 ARG C O 3730 C CB . ARG C 94 ? 0.6868 0.4469 0.6925 0.0190 -0.0281 -0.1972 95 ARG C CB 3731 C CG . ARG C 94 ? 0.6797 0.4799 0.6694 0.0409 -0.0215 -0.2124 95 ARG C CG 3732 C CD . ARG C 94 ? 0.6854 0.4818 0.6662 0.0393 -0.0319 -0.2229 95 ARG C CD 3733 N NE . ARG C 94 ? 0.6985 0.5316 0.6530 0.0596 -0.0268 -0.2381 95 ARG C NE 3734 C CZ . ARG C 94 ? 0.6895 0.5656 0.6324 0.0500 -0.0076 -0.2275 95 ARG C CZ 3735 N NH1 . ARG C 94 ? 0.7126 0.6297 0.6264 0.0616 -0.0017 -0.2412 95 ARG C NH1 3736 N NH2 . ARG C 94 ? 0.6536 0.5303 0.6081 0.0269 0.0045 -0.2043 95 ARG C NH2 3737 N N . GLY C 95 ? 0.6797 0.4222 0.7285 -0.0534 -0.0285 -0.1655 96 GLY C N 3738 C CA . GLY C 95 ? 0.7109 0.4256 0.7589 -0.0877 -0.0332 -0.1509 96 GLY C CA 3739 C C . GLY C 95 ? 0.7946 0.4218 0.8028 -0.0898 -0.0593 -0.1545 96 GLY C C 3740 O O . GLY C 95 ? 0.8457 0.4393 0.8475 -0.1294 -0.0720 -0.1501 96 GLY C O 3741 N N . SER C 96 ? 0.8189 0.4104 0.7973 -0.0477 -0.0694 -0.1653 97 SER C N 3742 C CA . SER C 96 ? 0.9158 0.4095 0.8454 -0.0349 -0.1018 -0.1745 97 SER C CA 3743 C C . SER C 96 ? 0.9359 0.4115 0.8369 0.0171 -0.1091 -0.1827 97 SER C C 3744 O O . SER C 96 ? 0.8734 0.4185 0.7964 0.0334 -0.0861 -0.1785 97 SER C O 3745 C CB . SER C 96 ? 0.9460 0.4195 0.8679 -0.0248 -0.1215 -0.2024 97 SER C CB 3746 O OG . SER C 96 ? 0.8937 0.4340 0.8292 0.0144 -0.1092 -0.2223 97 SER C OG 3747 N N . ALA C 97 ? 1.0312 0.4148 0.8818 0.0450 -0.1444 -0.1984 98 ALA C N 3748 C CA . ALA C 97 ? 1.0669 0.4346 0.8862 0.1061 -0.1600 -0.2154 98 ALA C CA 3749 C C . ALA C 97 ? 0.9988 0.4720 0.8453 0.1511 -0.1434 -0.2463 98 ALA C C 3750 O O . ALA C 97 ? 0.9954 0.5106 0.8376 0.1951 -0.1426 -0.2603 98 ALA C O 3751 C CB . ALA C 97 ? 1.2062 0.4378 0.9565 0.1321 -0.2098 -0.2307 98 ALA C CB 3752 N N . LEU C 98 ? 0.9515 0.4733 0.8230 0.1369 -0.1304 -0.2567 99 LEU C N 3753 C CA . LEU C 98 ? 0.9004 0.5206 0.7880 0.1668 -0.1129 -0.2815 99 LEU C CA 3754 C C . LEU C 98 ? 0.8068 0.5216 0.7336 0.1407 -0.0731 -0.2607 99 LEU C C 3755 O O . LEU C 98 ? 0.7702 0.5614 0.7061 0.1449 -0.0547 -0.2715 99 LEU C O 3756 C CB . LEU C 98 ? 0.9130 0.5309 0.7948 0.1663 -0.1220 -0.3020 99 LEU C CB 3757 C CG . LEU C 98 ? 1.0099 0.5272 0.8511 0.1856 -0.1643 -0.3265 99 LEU C CG 3758 C CD1 . LEU C 98 ? 1.0048 0.5313 0.8510 0.1695 -0.1677 -0.3395 99 LEU C CD1 3759 C CD2 . LEU C 98 ? 1.0749 0.5822 0.8796 0.2554 -0.1900 -0.3661 99 LEU C CD2 3760 N N . GLY C 99 ? 0.7805 0.4852 0.7233 0.1116 -0.0617 -0.2311 100 GLY C N 3761 C CA . GLY C 99 ? 0.7072 0.4846 0.6813 0.0880 -0.0297 -0.2135 100 GLY C CA 3762 C C . GLY C 99 ? 0.6892 0.5324 0.6666 0.1121 -0.0177 -0.2228 100 GLY C C 3763 O O . GLY C 99 ? 0.7337 0.5701 0.6917 0.1532 -0.0355 -0.2430 100 GLY C O 3764 N N . ARG C 100 ? 0.6302 0.5360 0.6294 0.0875 0.0091 -0.2110 103 ARG C N 3765 C CA . ARG C 100 ? 0.6086 0.5904 0.6162 0.0972 0.0236 -0.2195 103 ARG C CA 3766 C C . ARG C 100 ? 0.5669 0.5637 0.5947 0.0619 0.0428 -0.1955 103 ARG C C 3767 O O . ARG C 100 ? 0.5452 0.5443 0.5776 0.0311 0.0556 -0.1829 103 ARG C O 3768 C CB . ARG C 100 ? 0.6027 0.6628 0.6050 0.1000 0.0369 -0.2400 103 ARG C CB 3769 C CG . ARG C 100 ? 0.5965 0.7557 0.6068 0.1168 0.0472 -0.2616 103 ARG C CG 3770 C CD . ARG C 100 ? 0.6400 0.8195 0.6374 0.1775 0.0242 -0.2994 103 ARG C CD 3771 N NE . ARG C 100 ? 0.6503 0.8994 0.6365 0.1897 0.0296 -0.3278 103 ARG C NE 3772 C CZ . ARG C 100 ? 0.6782 0.8796 0.6428 0.2067 0.0138 -0.3390 103 ARG C CZ 3773 N NH1 . ARG C 100 ? 0.6873 0.9684 0.6399 0.2176 0.0214 -0.3665 103 ARG C NH1 3774 N NH2 . ARG C 100 ? 0.6949 0.7769 0.6484 0.2089 -0.0091 -0.3243 103 ARG C NH2 3775 N N . LEU C 101 ? 0.5656 0.5667 0.5993 0.0709 0.0406 -0.1910 104 LEU C N 3776 C CA . LEU C 101 ? 0.5281 0.5437 0.5790 0.0429 0.0556 -0.1728 104 LEU C CA 3777 C C . LEU C 101 ? 0.5032 0.5936 0.5635 0.0247 0.0753 -0.1804 104 LEU C C 3778 O O . LEU C 101 ? 0.5103 0.6646 0.5684 0.0386 0.0786 -0.2016 104 LEU C O 3779 C CB . LEU C 101 ? 0.5419 0.5422 0.5894 0.0589 0.0460 -0.1664 104 LEU C CB 3780 C CG . LEU C 101 ? 0.5859 0.5025 0.6117 0.0646 0.0260 -0.1517 104 LEU C CG 3781 C CD1 . LEU C 101 ? 0.6016 0.5111 0.6149 0.0752 0.0195 -0.1413 104 LEU C CD1 3782 C CD2 . LEU C 101 ? 0.5692 0.4501 0.6044 0.0281 0.0314 -0.1333 104 LEU C CD2 3783 N N . HIS C 102 ? 0.4822 0.5660 0.5496 -0.0078 0.0867 -0.1653 105 HIS C N 3784 C CA . HIS C 102 ? 0.4745 0.6083 0.5417 -0.0365 0.1023 -0.1683 105 HIS C CA 3785 C C . HIS C 102 ? 0.4587 0.6007 0.5397 -0.0455 0.1053 -0.1633 105 HIS C C 3786 O O . HIS C 102 ? 0.4536 0.5494 0.5380 -0.0495 0.1014 -0.1504 105 HIS C O 3787 C CB . HIS C 102 ? 0.4892 0.5861 0.5360 -0.0672 0.1064 -0.1566 105 HIS C CB 3788 C CG . HIS C 102 ? 0.5087 0.5956 0.5376 -0.0592 0.1026 -0.1605 105 HIS C CG 3789 N ND1 . HIS C 102 ? 0.5159 0.5462 0.5432 -0.0441 0.0892 -0.1554 105 HIS C ND1 3790 C CD2 . HIS C 102 ? 0.5328 0.6682 0.5440 -0.0660 0.1107 -0.1712 105 HIS C CD2 3791 C CE1 . HIS C 102 ? 0.5419 0.5780 0.5501 -0.0386 0.0871 -0.1631 105 HIS C CE1 3792 N NE2 . HIS C 102 ? 0.5498 0.6504 0.5465 -0.0507 0.1008 -0.1724 105 HIS C NE2 3793 N N . PHE C 103 ? 0.4544 0.6669 0.5442 -0.0479 0.1120 -0.1773 106 PHE C N 3794 C CA . PHE C 103 ? 0.4420 0.6731 0.5446 -0.0500 0.1123 -0.1776 106 PHE C CA 3795 C C . PHE C 103 ? 0.4484 0.6950 0.5476 -0.0942 0.1226 -0.1783 106 PHE C C 3796 O O . PHE C 103 ? 0.4620 0.7551 0.5538 -0.1235 0.1324 -0.1868 106 PHE C O 3797 C CB . PHE C 103 ? 0.4421 0.7406 0.5553 -0.0163 0.1063 -0.1966 106 PHE C CB 3798 C CG . PHE C 103 ? 0.4611 0.7203 0.5635 0.0294 0.0884 -0.1958 106 PHE C CG 3799 C CD1 . PHE C 103 ? 0.4759 0.7291 0.5685 0.0477 0.0827 -0.2057 106 PHE C CD1 3800 C CD2 . PHE C 103 ? 0.4763 0.6976 0.5700 0.0522 0.0749 -0.1850 106 PHE C CD2 3801 C CE1 . PHE C 103 ? 0.5143 0.7133 0.5883 0.0887 0.0607 -0.2068 106 PHE C CE1 3802 C CE2 . PHE C 103 ? 0.5150 0.6784 0.5847 0.0876 0.0540 -0.1807 106 PHE C CE2 3803 C CZ . PHE C 103 ? 0.5421 0.6890 0.6018 0.1065 0.0452 -0.1927 106 PHE C CZ 3804 N N . GLY C 104 ? 0.4466 0.6536 0.5465 -0.1012 0.1189 -0.1704 107 GLY C N 3805 C CA . GLY C 104 ? 0.4669 0.6747 0.5582 -0.1380 0.1218 -0.1747 107 GLY C CA 3806 C C . GLY C 104 ? 0.4594 0.7502 0.5692 -0.1402 0.1254 -0.1926 107 GLY C C 3807 O O . GLY C 104 ? 0.4396 0.7703 0.5663 -0.1029 0.1213 -0.1987 107 GLY C O 3808 N N . ALA C 105 ? 0.4870 0.7983 0.5878 -0.1851 0.1297 -0.2013 108 ALA C N 3809 C CA . ALA C 105 ? 0.4817 0.8865 0.6021 -0.1961 0.1330 -0.2231 108 ALA C CA 3810 C C . ALA C 105 ? 0.4646 0.8738 0.5992 -0.1666 0.1235 -0.2291 108 ALA C C 3811 O O . ALA C 105 ? 0.4571 0.9499 0.6106 -0.1597 0.1223 -0.2486 108 ALA C O 3812 C CB . ALA C 105 ? 0.5293 0.9415 0.6298 -0.2639 0.1385 -0.2288 108 ALA C CB 3813 N N . GLY C 106 ? 0.4627 0.7928 0.5874 -0.1487 0.1164 -0.2148 109 GLY C N 3814 C CA . GLY C 106 ? 0.4487 0.7855 0.5810 -0.1211 0.1094 -0.2179 109 GLY C CA 3815 C C . GLY C 106 ? 0.4738 0.7916 0.5969 -0.1441 0.1033 -0.2306 109 GLY C C 3816 O O . GLY C 106 ? 0.5075 0.8117 0.6170 -0.1873 0.1024 -0.2394 109 GLY C O 3817 N N . THR C 107 ? 0.4666 0.7798 0.5911 -0.1172 0.0978 -0.2317 110 THR C N 3818 C CA . THR C 107 ? 0.4934 0.7974 0.6092 -0.1271 0.0889 -0.2502 110 THR C CA 3819 C C . THR C 107 ? 0.4758 0.8485 0.6024 -0.1017 0.0870 -0.2598 110 THR C C 3820 O O . THR C 107 ? 0.4579 0.8389 0.5843 -0.0689 0.0892 -0.2450 110 THR C O 3821 C CB . THR C 107 ? 0.5116 0.7443 0.6121 -0.1142 0.0815 -0.2482 110 THR C CB 3822 O OG1 . THR C 107 ? 0.5494 0.7101 0.6309 -0.1349 0.0776 -0.2407 110 THR C OG1 3823 C CG2 . THR C 107 ? 0.5443 0.7693 0.6328 -0.1139 0.0683 -0.2740 110 THR C CG2 3824 N N . GLN C 108 ? 0.4902 0.9105 0.6210 -0.1210 0.0817 -0.2836 111 GLN C N 3825 C CA . GLN C 108 ? 0.4821 0.9707 0.6189 -0.0962 0.0765 -0.2963 111 GLN C CA 3826 C C . GLN C 108 ? 0.4999 0.9643 0.6221 -0.0853 0.0688 -0.3078 111 GLN C C 3827 O O . GLN C 108 ? 0.5368 0.9691 0.6491 -0.1100 0.0592 -0.3297 111 GLN C O 3828 C CB . GLN C 108 ? 0.4903 1.0589 0.6426 -0.1204 0.0727 -0.3224 111 GLN C CB 3829 C CG . GLN C 108 ? 0.4872 1.1379 0.6456 -0.0865 0.0643 -0.3360 111 GLN C CG 3830 C CD . GLN C 108 ? 0.5034 1.2535 0.6841 -0.1090 0.0596 -0.3672 111 GLN C CD 3831 O OE1 . GLN C 108 ? 0.4958 1.2965 0.6947 -0.1190 0.0656 -0.3705 111 GLN C OE1 3832 N NE2 . GLN C 108 ? 0.5185 1.3089 0.6993 -0.1170 0.0485 -0.3944 111 GLN C NE2 3833 N N . LEU C 109 ? 0.4838 0.9615 0.5990 -0.0494 0.0716 -0.2938 112 LEU C N 3834 C CA . LEU C 109 ? 0.4982 0.9784 0.6001 -0.0338 0.0670 -0.3070 112 LEU C CA 3835 C C . LEU C 109 ? 0.5054 1.0574 0.6022 -0.0192 0.0600 -0.3229 112 LEU C C 3836 O O . LEU C 109 ? 0.4960 1.0873 0.5874 0.0013 0.0612 -0.3059 112 LEU C O 3837 C CB . LEU C 109 ? 0.4861 0.9510 0.5796 -0.0125 0.0770 -0.2823 112 LEU C CB 3838 C CG . LEU C 109 ? 0.5015 0.9887 0.5830 0.0052 0.0765 -0.2968 112 LEU C CG 3839 C CD1 . LEU C 109 ? 0.5218 0.9626 0.6041 0.0030 0.0662 -0.3252 112 LEU C CD1 3840 C CD2 . LEU C 109 ? 0.4904 0.9943 0.5624 0.0163 0.0905 -0.2664 112 LEU C CD2 3841 N N . ILE C 110 ? 0.5324 1.0935 0.6247 -0.0274 0.0484 -0.3570 113 ILE C N 3842 C CA . ILE C 110 ? 0.5448 1.1766 0.6304 -0.0128 0.0391 -0.3781 113 ILE C CA 3843 C C . ILE C 110 ? 0.5662 1.2025 0.6320 0.0091 0.0359 -0.3941 113 ILE C C 3844 O O . ILE C 110 ? 0.5930 1.1829 0.6544 0.0024 0.0274 -0.4187 113 ILE C O 3845 C CB . ILE C 110 ? 0.5670 1.2250 0.6653 -0.0452 0.0256 -0.4131 113 ILE C CB 3846 C CG1 . ILE C 110 ? 0.5473 1.2177 0.6681 -0.0725 0.0317 -0.4027 113 ILE C CG1 3847 C CG2 . ILE C 110 ? 0.5774 1.3208 0.6713 -0.0256 0.0145 -0.4353 113 ILE C CG2 3848 C CD1 . ILE C 110 ? 0.5802 1.2576 0.7106 -0.1263 0.0231 -0.4327 113 ILE C CD1 3849 N N . VAL C 111 ? 0.5644 1.2555 0.6119 0.0373 0.0405 -0.3810 114 VAL C N 3850 C CA . VAL C 111 ? 0.5846 1.3029 0.6112 0.0588 0.0424 -0.3934 114 VAL C CA 3851 C C . VAL C 111 ? 0.6131 1.3953 0.6249 0.0721 0.0283 -0.4252 114 VAL C C 3852 O O . VAL C 111 ? 0.6171 1.4481 0.6142 0.0848 0.0265 -0.4104 114 VAL C O 3853 C CB . VAL C 111 ? 0.5770 1.3127 0.5825 0.0720 0.0605 -0.3511 114 VAL C CB 3854 C CG1 . VAL C 111 ? 0.5997 1.3810 0.5876 0.0879 0.0669 -0.3671 114 VAL C CG1 3855 C CG2 . VAL C 111 ? 0.5513 1.2276 0.5723 0.0573 0.0722 -0.3198 114 VAL C CG2 3856 N N . ILE C 112 ? 0.6427 1.4189 0.6533 0.0729 0.0143 -0.4709 115 ILE C N 3857 C CA . ILE C 112 ? 0.6744 1.5085 0.6712 0.0841 -0.0022 -0.5088 115 ILE C CA 3858 C C . ILE C 112 ? 0.6922 1.5906 0.6586 0.1184 0.0040 -0.5139 115 ILE C C 3859 O O . ILE C 112 ? 0.7016 1.5923 0.6633 0.1317 0.0103 -0.5239 115 ILE C O 3860 C CB . ILE C 112 ? 0.7174 1.5055 0.7202 0.0634 -0.0267 -0.5606 115 ILE C CB 3861 C CG1 . ILE C 112 ? 0.7390 1.4423 0.7373 0.0655 -0.0315 -0.5738 115 ILE C CG1 3862 C CG2 . ILE C 112 ? 0.7135 1.4874 0.7393 0.0210 -0.0335 -0.5598 115 ILE C CG2 3863 C CD1 . ILE C 112 ? 0.8060 1.4440 0.7886 0.0538 -0.0632 -0.6274 115 ILE C CD1 3864 N N . PRO C 113 ? 0.7031 1.6731 0.6459 0.1341 0.0015 -0.5084 116 PRO C N 3865 C CA . PRO C 113 ? 0.7280 1.7675 0.6316 0.1609 0.0105 -0.5048 116 PRO C CA 3866 C C . PRO C 113 ? 0.7662 1.8418 0.6611 0.1806 -0.0027 -0.5648 116 PRO C C 3867 O O . PRO C 113 ? 0.7891 1.8587 0.6923 0.1781 -0.0270 -0.6100 116 PRO C O 3868 C CB . PRO C 113 ? 0.7424 1.8305 0.6172 0.1719 0.0036 -0.4837 116 PRO C CB 3869 C CG . PRO C 113 ? 0.7314 1.8075 0.6395 0.1585 -0.0169 -0.5102 116 PRO C CG 3870 C CD . PRO C 113 ? 0.6987 1.6953 0.6472 0.1286 -0.0110 -0.5057 116 PRO C CD 3871 N N . ASP C 114 ? 0.7791 1.8967 0.6565 0.1990 0.0122 -0.5678 117 ASP C N 3872 C CA . ASP C 114 ? 0.8225 1.9931 0.6851 0.2289 0.0000 -0.6274 117 ASP C CA 3873 C C . ASP C 114 ? 0.8534 2.1104 0.6774 0.2447 -0.0050 -0.6342 117 ASP C C 3874 O O . ASP C 114 ? 0.8620 2.1882 0.6486 0.2502 0.0153 -0.5994 117 ASP C O 3875 C CB . ASP C 114 ? 0.8243 2.0405 0.6830 0.2461 0.0202 -0.6305 117 ASP C CB 3876 C CG . ASP C 114 ? 0.8787 2.1470 0.7265 0.2866 0.0033 -0.7035 117 ASP C CG 3877 O OD1 . ASP C 114 ? 0.9163 2.1156 0.7738 0.2968 -0.0291 -0.7551 117 ASP C OD1 3878 O OD2 . ASP C 114 ? 0.8991 2.2767 0.7239 0.3070 0.0212 -0.7106 117 ASP C OD2 3879 N N . ILE C 115 ? 0.6362 1.1783 0.6558 0.1756 -0.1321 -0.2125 118 ILE C N 3880 C CA . ILE C 115 ? 0.6156 1.0994 0.6259 0.1408 -0.0991 -0.2079 118 ILE C CA 3881 C C . ILE C 115 ? 0.6148 1.1576 0.6732 0.1616 -0.0862 -0.2322 118 ILE C C 3882 O O . ILE C 115 ? 0.6359 1.1509 0.6974 0.2160 -0.0916 -0.2263 118 ILE C O 3883 C CB . ILE C 115 ? 0.6220 0.9747 0.5757 0.1500 -0.0926 -0.1708 118 ILE C CB 3884 C CG1 . ILE C 115 ? 0.6292 0.9309 0.5381 0.1329 -0.1025 -0.1510 118 ILE C CG1 3885 C CG2 . ILE C 115 ? 0.6055 0.9124 0.5505 0.1154 -0.0640 -0.1689 118 ILE C CG2 3886 C CD1 . ILE C 115 ? 0.6154 0.9256 0.5211 0.0714 -0.0911 -0.1620 118 ILE C CD1 3887 N N . GLN C 116 ? 0.5996 1.2203 0.6932 0.1157 -0.0661 -0.2610 119 GLN C N 3888 C CA . GLN C 116 ? 0.6013 1.3075 0.7486 0.1282 -0.0501 -0.2941 119 GLN C CA 3889 C C . GLN C 116 ? 0.6101 1.2412 0.7352 0.1450 -0.0301 -0.2859 119 GLN C C 3890 O O . GLN C 116 ? 0.6291 1.2819 0.7843 0.1973 -0.0316 -0.3019 119 GLN C O 3891 C CB . GLN C 116 ? 0.5896 1.3838 0.7669 0.0607 -0.0255 -0.3225 119 GLN C CB 3892 C CG . GLN C 116 ? 0.5916 1.5282 0.8458 0.0731 -0.0149 -0.3688 119 GLN C CG 3893 C CD . GLN C 116 ? 0.5899 1.6442 0.9044 0.1070 -0.0472 -0.3941 119 GLN C CD 3894 O OE1 . GLN C 116 ? 0.5932 1.7588 0.9757 0.1466 -0.0500 -0.4287 119 GLN C OE1 3895 N NE2 . GLN C 116 ? 0.5880 1.6243 0.8789 0.0936 -0.0727 -0.3799 119 GLN C NE2 3896 N N . ASN C 117 ? 0.6030 1.1465 0.6762 0.1026 -0.0132 -0.2631 120 ASN C N 3897 C CA . ASN C 117 ? 0.6122 1.0858 0.6589 0.1103 0.0033 -0.2571 120 ASN C CA 3898 C C . ASN C 117 ? 0.6128 0.9646 0.6031 0.1084 -0.0046 -0.2189 120 ASN C C 3899 O O . ASN C 117 ? 0.6019 0.9130 0.5572 0.0640 0.0023 -0.2009 120 ASN C O 3900 C CB . ASN C 117 ? 0.6113 1.1205 0.6538 0.0597 0.0348 -0.2737 120 ASN C CB 3901 C CG . ASN C 117 ? 0.6181 1.2536 0.7207 0.0624 0.0500 -0.3170 120 ASN C CG 3902 O OD1 . ASN C 117 ? 0.6325 1.3008 0.7707 0.1115 0.0509 -0.3422 120 ASN C OD1 3903 N ND2 . ASN C 117 ? 0.6157 1.3220 0.7320 0.0086 0.0645 -0.3280 120 ASN C ND2 3904 N N . PRO C 118 ? 0.6327 0.9258 0.6153 0.1576 -0.0182 -0.2064 121 PRO C N 3905 C CA . PRO C 118 ? 0.6368 0.8247 0.5729 0.1552 -0.0229 -0.1736 121 PRO C CA 3906 C C . PRO C 118 ? 0.6391 0.7753 0.5530 0.1326 -0.0043 -0.1742 121 PRO C C 3907 O O . PRO C 118 ? 0.6609 0.7997 0.5883 0.1502 0.0068 -0.1958 121 PRO C O 3908 C CB . PRO C 118 ? 0.6744 0.8213 0.6101 0.2132 -0.0381 -0.1630 121 PRO C CB 3909 C CG . PRO C 118 ? 0.6906 0.9243 0.6754 0.2532 -0.0460 -0.1902 121 PRO C CG 3910 C CD . PRO C 118 ? 0.6631 0.9815 0.6802 0.2182 -0.0265 -0.2231 121 PRO C CD 3911 N N . ASP C 119 ? 0.6239 0.7170 0.5049 0.0961 -0.0026 -0.1534 122 ASP C N 3912 C CA . ASP C 119 ? 0.6271 0.6779 0.4844 0.0747 0.0085 -0.1515 122 ASP C CA 3913 C C . ASP C 119 ? 0.6252 0.5981 0.4579 0.0750 0.0014 -0.1257 122 ASP C C 3914 O O . ASP C 119 ? 0.6131 0.5671 0.4254 0.0473 0.0002 -0.1103 122 ASP C O 3915 C CB . ASP C 119 ? 0.6188 0.7032 0.4609 0.0300 0.0179 -0.1516 122 ASP C CB 3916 C CG . ASP C 119 ? 0.6409 0.7073 0.4584 0.0121 0.0275 -0.1565 122 ASP C CG 3917 O OD1 . ASP C 119 ? 0.6648 0.7034 0.4851 0.0307 0.0297 -0.1695 122 ASP C OD1 3918 O OD2 . ASP C 119 ? 0.6637 0.7419 0.4551 -0.0221 0.0327 -0.1476 122 ASP C OD2 3919 N N . PRO C 120 ? 0.6449 0.5712 0.4793 0.1069 -0.0015 -0.1208 123 PRO C N 3920 C CA . PRO C 120 ? 0.6500 0.5108 0.4635 0.1051 -0.0041 -0.0969 123 PRO C CA 3921 C C . PRO C 120 ? 0.6423 0.4793 0.4458 0.0761 0.0024 -0.0976 123 PRO C C 3922 O O . PRO C 120 ? 0.6565 0.4975 0.4646 0.0704 0.0102 -0.1182 123 PRO C O 3923 C CB . PRO C 120 ? 0.6956 0.5063 0.5093 0.1409 -0.0018 -0.0952 123 PRO C CB 3924 C CG . PRO C 120 ? 0.7122 0.5682 0.5505 0.1708 -0.0043 -0.1159 123 PRO C CG 3925 C CD . PRO C 120 ? 0.6778 0.6021 0.5313 0.1441 0.0020 -0.1392 123 PRO C CD 3926 N N . ALA C 121 ? 0.6244 0.4433 0.4159 0.0597 -0.0015 -0.0786 124 ALA C N 3927 C CA . ALA C 121 ? 0.6177 0.4257 0.4052 0.0371 -0.0002 -0.0787 124 ALA C CA 3928 C C . ALA C 121 ? 0.6089 0.3910 0.3925 0.0319 -0.0025 -0.0597 124 ALA C C 3929 O O . ALA C 121 ? 0.6017 0.3828 0.3784 0.0375 -0.0062 -0.0466 124 ALA C O 3930 C CB . ALA C 121 ? 0.6068 0.4552 0.3861 0.0170 -0.0041 -0.0830 124 ALA C CB 3931 N N . VAL C 122 ? 0.6135 0.3817 0.4043 0.0201 0.0005 -0.0631 125 VAL C N 3932 C CA . VAL C 122 ? 0.6054 0.3638 0.4013 0.0141 0.0004 -0.0510 125 VAL C CA 3933 C C . VAL C 122 ? 0.5942 0.3816 0.3977 0.0007 -0.0104 -0.0544 125 VAL C C 3934 O O . VAL C 122 ? 0.6024 0.4031 0.4149 -0.0099 -0.0117 -0.0702 125 VAL C O 3935 C CB . VAL C 122 ? 0.6301 0.3536 0.4345 0.0114 0.0155 -0.0521 125 VAL C CB 3936 C CG1 . VAL C 122 ? 0.6227 0.3511 0.4382 0.0042 0.0189 -0.0443 125 VAL C CG1 3937 C CG2 . VAL C 122 ? 0.6630 0.3478 0.4495 0.0297 0.0242 -0.0421 125 VAL C CG2 3938 N N . TYR C 123 ? 0.5831 0.3781 0.3804 0.0028 -0.0198 -0.0404 126 TYR C N 3939 C CA . TYR C 123 ? 0.5864 0.4029 0.3846 -0.0016 -0.0343 -0.0369 126 TYR C CA 3940 C C . TYR C 123 ? 0.5832 0.4017 0.4053 0.0050 -0.0362 -0.0331 126 TYR C C 3941 O O . TYR C 123 ? 0.5798 0.3814 0.4114 0.0092 -0.0229 -0.0324 126 TYR C O 3942 C CB . TYR C 123 ? 0.5971 0.4120 0.3679 -0.0032 -0.0425 -0.0225 126 TYR C CB 3943 C CG . TYR C 123 ? 0.6030 0.4303 0.3562 -0.0123 -0.0368 -0.0301 126 TYR C CG 3944 C CD1 . TYR C 123 ? 0.6113 0.4641 0.3545 -0.0216 -0.0389 -0.0424 126 TYR C CD1 3945 C CD2 . TYR C 123 ? 0.6026 0.4254 0.3514 -0.0118 -0.0291 -0.0292 126 TYR C CD2 3946 C CE1 . TYR C 123 ? 0.6206 0.4921 0.3514 -0.0288 -0.0297 -0.0540 126 TYR C CE1 3947 C CE2 . TYR C 123 ? 0.5999 0.4480 0.3425 -0.0184 -0.0226 -0.0404 126 TYR C CE2 3948 C CZ . TYR C 123 ? 0.6120 0.4835 0.3462 -0.0263 -0.0211 -0.0529 126 TYR C CZ 3949 O OH . TYR C 123 ? 0.6158 0.5193 0.3475 -0.0317 -0.0109 -0.0685 126 TYR C OH 3950 N N . GLN C 124 ? 0.5915 0.4356 0.4222 0.0081 -0.0528 -0.0312 127 GLN C N 3951 C CA . GLN C 124 ? 0.5926 0.4511 0.4549 0.0201 -0.0563 -0.0310 127 GLN C CA 3952 C C . GLN C 124 ? 0.6138 0.4652 0.4644 0.0386 -0.0750 -0.0125 127 GLN C C 3953 O O . GLN C 124 ? 0.6362 0.5009 0.4681 0.0409 -0.0946 -0.0035 127 GLN C O 3954 C CB . GLN C 124 ? 0.5918 0.4973 0.4904 0.0113 -0.0602 -0.0509 127 GLN C CB 3955 C CG . GLN C 124 ? 0.5935 0.5268 0.5379 0.0202 -0.0558 -0.0585 127 GLN C CG 3956 C CD . GLN C 124 ? 0.6053 0.6048 0.5921 0.0124 -0.0679 -0.0798 127 GLN C CD 3957 O OE1 . GLN C 124 ? 0.6143 0.6581 0.6401 0.0290 -0.0786 -0.0843 127 GLN C OE1 3958 N NE2 . GLN C 124 ? 0.6166 0.6278 0.5994 -0.0120 -0.0669 -0.0972 127 GLN C NE2 3959 N N . LEU C 125 ? 0.6197 0.4449 0.4763 0.0525 -0.0680 -0.0069 128 LEU C N 3960 C CA . LEU C 125 ? 0.6576 0.4554 0.5004 0.0721 -0.0820 0.0105 128 LEU C CA 3961 C C . LEU C 125 ? 0.6672 0.4902 0.5530 0.0990 -0.0895 0.0044 128 LEU C C 3962 O O . LEU C 125 ? 0.6484 0.4896 0.5687 0.1004 -0.0720 -0.0132 128 LEU C O 3963 C CB . LEU C 125 ? 0.6699 0.4142 0.4868 0.0681 -0.0685 0.0159 128 LEU C CB 3964 C CG . LEU C 125 ? 0.6747 0.4002 0.4539 0.0447 -0.0630 0.0216 128 LEU C CG 3965 C CD1 . LEU C 125 ? 0.6378 0.3884 0.4241 0.0309 -0.0500 0.0068 128 LEU C CD1 3966 C CD2 . LEU C 125 ? 0.7000 0.3785 0.4598 0.0412 -0.0551 0.0246 128 LEU C CD2 3967 N N . ARG C 126 ? 0.7045 0.5306 0.5866 0.1219 -0.1151 0.0197 129 ARG C N 3968 C CA . ARG C 126 ? 0.7193 0.5811 0.6490 0.1556 -0.1278 0.0129 129 ARG C CA 3969 C C . ARG C 126 ? 0.7663 0.5675 0.6879 0.1862 -0.1289 0.0251 129 ARG C C 3970 O O . ARG C 126 ? 0.8059 0.5367 0.6760 0.1824 -0.1311 0.0477 129 ARG C O 3971 C CB . ARG C 126 ? 0.7400 0.6571 0.6773 0.1688 -0.1612 0.0191 129 ARG C CB 3972 C CG . ARG C 126 ? 0.7025 0.6799 0.6521 0.1365 -0.1592 -0.0014 129 ARG C CG 3973 C CD . ARG C 126 ? 0.7175 0.7815 0.7087 0.1511 -0.1877 -0.0144 129 ARG C CD 3974 N NE . ARG C 126 ? 0.6830 0.8043 0.7024 0.1149 -0.1772 -0.0460 129 ARG C NE 3975 C CZ . ARG C 126 ? 0.6518 0.8119 0.7293 0.0995 -0.1540 -0.0752 129 ARG C CZ 3976 N NH1 . ARG C 126 ? 0.6439 0.8025 0.7586 0.1185 -0.1384 -0.0789 129 ARG C NH1 3977 N NH2 . ARG C 126 ? 0.6346 0.8318 0.7306 0.0624 -0.1433 -0.1024 129 ARG C NH2 3978 N N . ASP C 127 ? 0.7665 0.5960 0.7412 0.2143 -0.1243 0.0067 130 ASP C N 3979 C CA . ASP C 127 ? 0.8159 0.5899 0.7933 0.2481 -0.1213 0.0086 130 ASP C CA 3980 C C . ASP C 127 ? 0.8929 0.6090 0.8333 0.2776 -0.1509 0.0429 130 ASP C C 3981 O O . ASP C 127 ? 0.9098 0.6639 0.8490 0.2922 -0.1809 0.0594 130 ASP C O 3982 C CB . ASP C 127 ? 0.8077 0.6460 0.8590 0.2787 -0.1146 -0.0207 130 ASP C CB 3983 C CG . ASP C 127 ? 0.8478 0.6316 0.9058 0.3049 -0.0969 -0.0337 130 ASP C CG 3984 O OD1 . ASP C 127 ? 0.9068 0.5973 0.9183 0.3136 -0.1015 -0.0151 130 ASP C OD1 3985 O OD2 . ASP C 127 ? 0.8297 0.6644 0.9397 0.3143 -0.0756 -0.0657 130 ASP C OD2 3986 N N . SER C 128 ? 0.9507 0.5717 0.8566 0.2845 -0.1418 0.0532 131 SER C N 3987 C CA . SER C 128 ? 1.0498 0.5902 0.9111 0.3104 -0.1640 0.0900 131 SER C CA 3988 C C . SER C 128 ? 1.1097 0.6664 1.0118 0.3761 -0.1912 0.0950 131 SER C C 3989 O O . SER C 128 ? 1.2036 0.6916 1.0670 0.4073 -0.2148 0.1312 131 SER C O 3990 C CB . SER C 128 ? 1.1045 0.5326 0.9224 0.2940 -0.1419 0.0934 131 SER C CB 3991 O OG . SER C 128 ? 1.2118 0.5447 0.9816 0.3159 -0.1589 0.1315 131 SER C OG 3992 N N . LYS C 129 ? 1.0628 0.7112 1.0425 0.3976 -0.1874 0.0598 132 LYS C N 3993 C CA . LYS C 129 ? 1.1137 0.7982 1.1491 0.4642 -0.2117 0.0557 132 LYS C CA 3994 C C . LYS C 129 ? 1.0558 0.8859 1.1615 0.4729 -0.2294 0.0344 132 LYS C C 3995 O O . LYS C 129 ? 1.0987 0.9789 1.2430 0.5271 -0.2639 0.0398 132 LYS C O 3996 C CB . LYS C 129 ? 1.1410 0.7896 1.2155 0.4934 -0.1855 0.0244 132 LYS C CB 3997 C CG . LYS C 129 ? 1.2264 0.7253 1.2389 0.4943 -0.1728 0.0407 132 LYS C CG 3998 C CD . LYS C 129 ? 1.3475 0.7617 1.3276 0.5481 -0.2071 0.0834 132 LYS C CD 3999 C CE . LYS C 129 ? 1.4366 0.6911 1.3413 0.5300 -0.1914 0.1049 132 LYS C CE 4000 N N . SER C 130 ? 0.9682 0.8648 1.0905 0.4199 -0.2067 0.0099 133 SER C N 4001 C CA . SER C 130 ? 0.9163 0.9481 1.1090 0.4152 -0.2151 -0.0177 133 SER C CA 4002 C C . SER C 130 ? 0.8609 0.9289 1.0263 0.3574 -0.2135 -0.0173 133 SER C C 4003 O O . SER C 130 ? 0.8407 0.8438 0.9488 0.3151 -0.1922 -0.0072 133 SER C O 4004 C CB . SER C 130 ? 0.8759 0.9687 1.1443 0.4147 -0.1795 -0.0632 133 SER C CB 4005 O OG . SER C 130 ? 0.8268 0.8846 1.0664 0.3609 -0.1372 -0.0749 133 SER C OG 4006 N N . SER C 131 ? 0.8426 1.0185 1.0532 0.3572 -0.2366 -0.0323 134 SER C N 4007 C CA . SER C 131 ? 0.7976 1.0134 0.9912 0.3041 -0.2345 -0.0407 134 SER C CA 4008 C C . SER C 131 ? 0.7337 0.9736 0.9613 0.2563 -0.1890 -0.0746 134 SER C C 4009 O O . SER C 131 ? 0.7061 0.9081 0.8909 0.2108 -0.1698 -0.0723 134 SER C O 4010 C CB . SER C 131 ? 0.8087 1.1353 1.0399 0.3174 -0.2756 -0.0513 134 SER C CB 4011 N N . ASP C 132 ? 0.7187 1.0195 1.0211 0.2692 -0.1710 -0.1046 135 ASP C N 4012 C CA . ASP C 132 ? 0.6724 1.0110 1.0124 0.2240 -0.1277 -0.1367 135 ASP C CA 4013 C C . ASP C 132 ? 0.6563 0.8998 0.9389 0.1928 -0.0879 -0.1269 135 ASP C C 4014 O O . ASP C 132 ? 0.6312 0.8687 0.8991 0.1456 -0.0640 -0.1341 135 ASP C O 4015 C CB . ASP C 132 ? 0.6723 1.1045 1.1051 0.2462 -0.1147 -0.1715 135 ASP C CB 4016 C CG . ASP C 132 ? 0.7130 1.1132 1.1555 0.3082 -0.1228 -0.1640 135 ASP C CG 4017 O OD1 . ASP C 132 ? 0.7404 1.0296 1.1127 0.3225 -0.1266 -0.1335 135 ASP C OD1 4018 O OD2 . ASP C 132 ? 0.7232 1.2107 1.2474 0.3419 -0.1237 -0.1918 135 ASP C OD2 4019 N N . LYS C 133 ? 0.6779 0.8467 0.9277 0.2202 -0.0825 -0.1118 136 LYS C N 4020 C CA . LYS C 133 ? 0.6656 0.7537 0.8607 0.1948 -0.0506 -0.1045 136 LYS C CA 4021 C C . LYS C 133 ? 0.6571 0.6793 0.7805 0.1701 -0.0609 -0.0778 136 LYS C C 4022 O O . LYS C 133 ? 0.6828 0.6621 0.7695 0.1879 -0.0872 -0.0538 136 LYS C O 4023 C CB . LYS C 133 ? 0.7009 0.7361 0.8869 0.2279 -0.0409 -0.1052 136 LYS C CB 4024 C CG . LYS C 133 ? 0.7023 0.7902 0.9444 0.2368 -0.0093 -0.1389 136 LYS C CG 4025 C CD . LYS C 133 ? 0.7383 0.7609 0.9576 0.2618 0.0057 -0.1447 136 LYS C CD 4026 N N . SER C 134 ? 0.6265 0.6408 0.7303 0.1296 -0.0383 -0.0819 137 SER C N 4027 C CA . SER C 134 ? 0.6176 0.5769 0.6609 0.1077 -0.0424 -0.0627 137 SER C CA 4028 C C . SER C 134 ? 0.6070 0.5191 0.6156 0.0873 -0.0126 -0.0619 137 SER C C 4029 O O . SER C 134 ? 0.6082 0.5315 0.6339 0.0838 0.0132 -0.0753 137 SER C O 4030 C CB . SER C 134 ? 0.6031 0.6004 0.6528 0.0837 -0.0531 -0.0681 137 SER C CB 4031 O OG . SER C 134 ? 0.5929 0.5987 0.6539 0.0514 -0.0246 -0.0835 137 SER C OG 4032 N N . VAL C 135 ? 0.6014 0.4668 0.5600 0.0753 -0.0170 -0.0464 138 VAL C N 4033 C CA . VAL C 135 ? 0.5945 0.4244 0.5186 0.0586 0.0040 -0.0440 138 VAL C CA 4034 C C . VAL C 135 ? 0.5802 0.3996 0.4807 0.0398 0.0002 -0.0378 138 VAL C C 4035 O O . VAL C 135 ? 0.5749 0.4118 0.4799 0.0370 -0.0171 -0.0369 138 VAL C O 4036 C CB . VAL C 135 ? 0.6092 0.3939 0.4979 0.0681 0.0046 -0.0376 138 VAL C CB 4037 C CG1 . VAL C 135 ? 0.6281 0.4156 0.5356 0.0849 0.0173 -0.0509 138 VAL C CG1 4038 C CG2 . VAL C 135 ? 0.6200 0.3802 0.4881 0.0735 -0.0180 -0.0238 138 VAL C CG2 4039 N N . CYS C 136 ? 0.5805 0.3726 0.4538 0.0302 0.0159 -0.0344 139 CYS C N 4040 C CA . CYS C 136 ? 0.5797 0.3565 0.4310 0.0205 0.0127 -0.0300 139 CYS C CA 4041 C C . CYS C 136 ? 0.5813 0.3330 0.3965 0.0265 0.0088 -0.0210 139 CYS C C 4042 O O . CYS C 136 ? 0.5941 0.3312 0.3919 0.0312 0.0183 -0.0188 139 CYS C O 4043 C CB . CYS C 136 ? 0.5932 0.3593 0.4476 0.0066 0.0327 -0.0340 139 CYS C CB 4044 S SG . CYS C 136 ? 0.6002 0.4064 0.5038 -0.0118 0.0372 -0.0530 139 CYS C SG 4045 N N . LEU C 137 ? 0.5718 0.3264 0.3760 0.0243 -0.0047 -0.0187 140 LEU C N 4046 C CA . LEU C 137 ? 0.5741 0.3200 0.3536 0.0256 -0.0081 -0.0153 140 LEU C CA 4047 C C . LEU C 137 ? 0.5754 0.3245 0.3481 0.0262 -0.0064 -0.0181 140 LEU C C 4048 O O . LEU C 137 ? 0.5723 0.3343 0.3509 0.0207 -0.0104 -0.0237 140 LEU C O 4049 C CB . LEU C 137 ? 0.5754 0.3228 0.3469 0.0200 -0.0200 -0.0116 140 LEU C CB 4050 C CG . LEU C 137 ? 0.5768 0.3260 0.3304 0.0134 -0.0213 -0.0136 140 LEU C CG 4051 C CD1 . LEU C 137 ? 0.5919 0.3246 0.3365 0.0154 -0.0184 -0.0170 140 LEU C CD1 4052 C CD2 . LEU C 137 ? 0.5972 0.3506 0.3412 -0.0010 -0.0274 -0.0093 140 LEU C CD2 4053 N N . PHE C 138 ? 0.5894 0.3272 0.3474 0.0360 -0.0011 -0.0148 141 PHE C N 4054 C CA . PHE C 138 ? 0.6013 0.3403 0.3531 0.0466 -0.0024 -0.0164 141 PHE C CA 4055 C C . PHE C 138 ? 0.5977 0.3663 0.3439 0.0489 -0.0135 -0.0208 141 PHE C C 4056 O O . PHE C 138 ? 0.6088 0.3807 0.3418 0.0507 -0.0169 -0.0190 141 PHE C O 4057 C CB . PHE C 138 ? 0.6319 0.3388 0.3660 0.0602 0.0069 -0.0058 141 PHE C CB 4058 C CG . PHE C 138 ? 0.6506 0.3479 0.3786 0.0801 0.0042 -0.0048 141 PHE C CG 4059 C CD1 . PHE C 138 ? 0.6352 0.3446 0.3826 0.0804 0.0025 -0.0193 141 PHE C CD1 4060 C CD2 . PHE C 138 ? 0.6910 0.3655 0.3906 0.1019 0.0036 0.0104 141 PHE C CD2 4061 C CE1 . PHE C 138 ? 0.6680 0.3670 0.4146 0.1048 0.0011 -0.0222 141 PHE C CE1 4062 C CE2 . PHE C 138 ? 0.7213 0.3820 0.4162 0.1290 -0.0013 0.0133 141 PHE C CE2 4063 C CZ . PHE C 138 ? 0.7098 0.3823 0.4323 0.1318 -0.0019 -0.0048 141 PHE C CZ 4064 N N . THR C 139 ? 0.5897 0.3852 0.3468 0.0452 -0.0172 -0.0306 142 THR C N 4065 C CA . THR C 139 ? 0.5853 0.4189 0.3445 0.0371 -0.0237 -0.0386 142 THR C CA 4066 C C . THR C 139 ? 0.5854 0.4573 0.3597 0.0460 -0.0242 -0.0524 142 THR C C 4067 O O . THR C 139 ? 0.5951 0.4558 0.3756 0.0571 -0.0191 -0.0567 142 THR C O 4068 C CB . THR C 139 ? 0.5825 0.4136 0.3378 0.0111 -0.0232 -0.0363 142 THR C CB 4069 O OG1 . THR C 139 ? 0.5919 0.4507 0.3467 -0.0048 -0.0251 -0.0442 142 THR C OG1 4070 C CG2 . THR C 139 ? 0.5784 0.4140 0.3355 0.0020 -0.0205 -0.0371 142 THR C CG2 4071 N N . ASP C 140 ? 0.5837 0.5035 0.3672 0.0405 -0.0289 -0.0634 143 ASP C N 4072 C CA . ASP C 140 ? 0.5842 0.5604 0.3914 0.0468 -0.0274 -0.0825 143 ASP C CA 4073 C C . ASP C 140 ? 0.6007 0.5818 0.4206 0.0879 -0.0320 -0.0876 143 ASP C C 4074 O O . ASP C 140 ? 0.6026 0.6232 0.4458 0.0991 -0.0278 -0.1064 143 ASP C O 4075 C CB . ASP C 140 ? 0.5802 0.5663 0.3879 0.0237 -0.0150 -0.0897 143 ASP C CB 4076 C CG . ASP C 140 ? 0.5845 0.5604 0.3740 -0.0131 -0.0114 -0.0800 143 ASP C CG 4077 O OD1 . ASP C 140 ? 0.5895 0.5708 0.3780 -0.0256 -0.0153 -0.0789 143 ASP C OD1 4078 O OD2 . ASP C 140 ? 0.5921 0.5519 0.3652 -0.0288 -0.0055 -0.0738 143 ASP C OD2 4079 N N . PHE C 141 ? 0.6226 0.5602 0.4244 0.1114 -0.0389 -0.0706 144 PHE C N 4080 C CA . PHE C 141 ? 0.6619 0.5916 0.4663 0.1548 -0.0460 -0.0682 144 PHE C CA 4081 C C . PHE C 141 ? 0.6722 0.6688 0.4888 0.1745 -0.0650 -0.0755 144 PHE C C 4082 O O . PHE C 141 ? 0.6531 0.6881 0.4695 0.1494 -0.0709 -0.0811 144 PHE C O 4083 C CB . PHE C 141 ? 0.6957 0.5454 0.4665 0.1681 -0.0426 -0.0424 144 PHE C CB 4084 C CG . PHE C 141 ? 0.6942 0.5310 0.4367 0.1538 -0.0463 -0.0265 144 PHE C CG 4085 C CD1 . PHE C 141 ? 0.7297 0.5698 0.4465 0.1783 -0.0602 -0.0134 144 PHE C CD1 4086 C CD2 . PHE C 141 ? 0.6679 0.4902 0.4070 0.1191 -0.0367 -0.0259 144 PHE C CD2 4087 C CE1 . PHE C 141 ? 0.7344 0.5650 0.4210 0.1640 -0.0610 -0.0040 144 PHE C CE1 4088 C CE2 . PHE C 141 ? 0.6634 0.4738 0.3795 0.1090 -0.0373 -0.0169 144 PHE C CE2 4089 C CZ . PHE C 141 ? 0.6983 0.5132 0.3872 0.1291 -0.0477 -0.0080 144 PHE C CZ 4090 N N . ASP C 142 ? 0.7111 0.7225 0.5400 0.2203 -0.0755 -0.0780 145 ASP C N 4091 C CA . ASP C 142 ? 0.7279 0.8162 0.5731 0.2462 -0.0990 -0.0867 145 ASP C CA 4092 C C . ASP C 142 ? 0.7666 0.8253 0.5661 0.2610 -0.1160 -0.0607 145 ASP C C 4093 O O . ASP C 142 ? 0.7857 0.7613 0.5432 0.2536 -0.1055 -0.0356 145 ASP C O 4094 C CB . ASP C 142 ? 0.7573 0.8839 0.6383 0.2973 -0.1072 -0.1013 145 ASP C CB 4095 C CG . ASP C 142 ? 0.8280 0.8688 0.6776 0.3494 -0.1131 -0.0735 145 ASP C CG 4096 O OD1 . ASP C 142 ? 0.8495 0.8021 0.6489 0.3403 -0.1069 -0.0429 145 ASP C OD1 4097 O OD2 . ASP C 142 ? 0.8673 0.9279 0.7434 0.4003 -0.1222 -0.0829 145 ASP C OD2 4098 N N . SER C 143 ? 0.7853 0.9197 0.5930 0.2805 -0.1416 -0.0694 146 SER C N 4099 C CA . SER C 143 ? 0.8291 0.9498 0.5874 0.2926 -0.1599 -0.0488 146 SER C CA 4100 C C . SER C 143 ? 0.9101 0.9678 0.6265 0.3495 -0.1711 -0.0139 146 SER C C 4101 O O . SER C 143 ? 0.9586 0.9888 0.6186 0.3608 -0.1825 0.0106 146 SER C O 4102 C CB . SER C 143 ? 0.8215 1.0543 0.6021 0.2868 -0.1853 -0.0756 146 SER C CB 4103 O OG . SER C 143 ? 0.7669 1.0364 0.5777 0.2280 -0.1697 -0.1038 146 SER C OG 4104 N N . GLN C 144 ? 0.9370 0.9652 0.6759 0.3840 -0.1655 -0.0118 147 GLN C N 4105 C CA . GLN C 144 ? 1.0299 0.9739 0.7273 0.4374 -0.1711 0.0238 147 GLN C CA 4106 C C . GLN C 144 ? 1.0618 0.8840 0.7017 0.4121 -0.1443 0.0562 147 GLN C C 4107 O O . GLN C 144 ? 1.1462 0.8943 0.7276 0.4412 -0.1476 0.0942 147 GLN C O 4108 C CB . GLN C 144 ? 1.0518 0.9894 0.7937 0.4785 -0.1680 0.0101 147 GLN C CB 4109 N N . THR C 145 ? 1.0021 0.8081 0.6587 0.3577 -0.1176 0.0414 148 THR C N 4110 C CA . THR C 145 ? 1.0205 0.7343 0.6386 0.3263 -0.0906 0.0629 148 THR C CA 4111 C C . THR C 145 ? 1.0334 0.7472 0.6016 0.3073 -0.0927 0.0800 148 THR C C 4112 O O . THR C 145 ? 0.9844 0.7685 0.5656 0.2849 -0.1026 0.0599 148 THR C O 4113 C CB . THR C 145 ? 0.9487 0.6624 0.6065 0.2792 -0.0670 0.0382 148 THR C CB 4114 O OG1 . THR C 145 ? 0.9451 0.6646 0.6439 0.2945 -0.0634 0.0175 148 THR C OG1 4115 C CG2 . THR C 145 ? 0.9621 0.5948 0.5928 0.2487 -0.0404 0.0549 148 THR C CG2 4116 N N . ASN C 146 ? 1.1094 0.7410 0.6186 0.3142 -0.0804 0.1153 149 ASN C N 4117 C CA . ASN C 146 ? 1.1288 0.7506 0.5861 0.2911 -0.0726 0.1299 149 ASN C CA 4118 C C . ASN C 146 ? 1.1139 0.6774 0.5704 0.2472 -0.0353 0.1325 149 ASN C C 4119 O O . ASN C 146 ? 1.1470 0.6396 0.6051 0.2450 -0.0151 0.1444 149 ASN C O 4120 C CB . ASN C 146 ? 1.2372 0.8212 0.6179 0.3293 -0.0853 0.1697 149 ASN C CB 4121 C CG . ASN C 146 ? 1.2514 0.9226 0.6267 0.3655 -0.1273 0.1624 149 ASN C CG 4122 O OD1 . ASN C 146 ? 1.2087 0.9568 0.5930 0.3434 -0.1387 0.1365 149 ASN C OD1 4123 N ND2 . ASN C 146 ? 1.3247 0.9846 0.6868 0.4224 -0.1512 0.1831 149 ASN C ND2 4124 N N . VAL C 147 ? 1.0696 0.6650 0.5269 0.2131 -0.0262 0.1182 150 VAL C N 4125 C CA . VAL C 147 ? 1.0442 0.6078 0.5162 0.1738 0.0057 0.1132 150 VAL C CA 4126 C C . VAL C 147 ? 1.1083 0.6297 0.5223 0.1610 0.0299 0.1363 150 VAL C C 4127 O O . VAL C 147 ? 1.1043 0.6595 0.4962 0.1505 0.0307 0.1284 150 VAL C O 4128 C CB . VAL C 147 ? 0.9559 0.5766 0.4776 0.1458 0.0041 0.0797 150 VAL C CB 4129 C CG1 . VAL C 147 ? 0.9325 0.5298 0.4796 0.1141 0.0316 0.0735 150 VAL C CG1 4130 C CG2 . VAL C 147 ? 0.9022 0.5651 0.4721 0.1529 -0.0151 0.0594 150 VAL C CG2 4131 N N . SER C 148 ? 1.1752 0.6208 0.5644 0.1586 0.0529 0.1621 151 SER C N 4132 C CA . SER C 148 ? 1.2521 0.6504 0.5826 0.1410 0.0833 0.1875 151 SER C CA 4133 C C . SER C 148 ? 1.2037 0.6281 0.5688 0.0979 0.1126 0.1643 151 SER C C 4134 O O . SER C 148 ? 1.1397 0.5804 0.5710 0.0789 0.1179 0.1400 151 SER C O 4135 C CB . SER C 148 ? 1.3473 0.6471 0.6446 0.1450 0.1033 0.2212 151 SER C CB 4136 O OG . SER C 148 ? 1.4093 0.6799 0.6718 0.1940 0.0751 0.2456 151 SER C OG 4137 N N . GLN C 149 ? 1.2448 0.6767 0.5633 0.0851 0.1313 0.1710 152 GLN C N 4138 C CA . GLN C 149 ? 1.2070 0.6749 0.5593 0.0509 0.1594 0.1456 152 GLN C CA 4139 C C . GLN C 149 ? 1.2289 0.6604 0.6072 0.0164 0.1981 0.1489 152 GLN C C 4140 O O . GLN C 149 ? 1.2760 0.6436 0.6450 0.0153 0.2046 0.1698 152 GLN C O 4141 C CB . GLN C 149 ? 1.2519 0.7435 0.5445 0.0484 0.1709 0.1464 152 GLN C CB 4142 C CG . GLN C 149 ? 1.2463 0.7796 0.5103 0.0763 0.1333 0.1373 152 GLN C CG 4143 C CD . GLN C 149 ? 1.1443 0.7331 0.4807 0.0771 0.1099 0.0975 152 GLN C CD 4144 O OE1 . GLN C 149 ? 1.1119 0.7342 0.4751 0.0621 0.1215 0.0681 152 GLN C OE1 4145 N NE2 . GLN C 149 ? 1.1015 0.6972 0.4672 0.0954 0.0786 0.0970 152 GLN C NE2 4146 N N . SER C 150 ? 1.1992 0.6739 0.6135 -0.0113 0.2241 0.1246 153 SER C N 4147 C CA . SER C 150 ? 1.2035 0.6719 0.6628 -0.0488 0.2589 0.1158 153 SER C CA 4148 C C . SER C 150 ? 1.3148 0.7239 0.7124 -0.0759 0.3026 0.1462 153 SER C C 4149 O O . SER C 150 ? 1.3738 0.7824 0.7060 -0.0761 0.3194 0.1609 153 SER C O 4150 C CB . SER C 150 ? 1.1334 0.6826 0.6616 -0.0628 0.2680 0.0762 153 SER C CB 4151 O OG . SER C 150 ? 1.1298 0.6940 0.7160 -0.0978 0.2957 0.0610 153 SER C OG 4152 N N . LYS C 151 ? 1.3512 0.7075 0.7659 -0.1017 0.3227 0.1544 154 LYS C N 4153 C CA . LYS C 151 ? 1.4605 0.7584 0.8303 -0.1413 0.3731 0.1786 154 LYS C CA 4154 C C . LYS C 151 ? 1.4290 0.8009 0.8640 -0.1866 0.4115 0.1433 154 LYS C C 4155 O O . LYS C 151 ? 1.5140 0.8668 0.9161 -0.2255 0.4605 0.1556 154 LYS C O 4156 C CB . LYS C 151 ? 1.5266 0.7269 0.8885 -0.1530 0.3805 0.1986 154 LYS C CB 4157 N N . ASP C 152 ? 1.3135 0.7724 0.8402 -0.1799 0.3890 0.1001 155 ASP C N 4158 C CA . ASP C 152 ? 1.2713 0.8189 0.8765 -0.2112 0.4155 0.0608 155 ASP C CA 4159 C C . ASP C 152 ? 1.2366 0.8555 0.8411 -0.1905 0.4153 0.0429 155 ASP C C 4160 O O . ASP C 152 ? 1.1964 0.8201 0.7793 -0.1496 0.3782 0.0441 155 ASP C O 4161 C CB . ASP C 152 ? 1.1807 0.7807 0.8833 -0.2105 0.3874 0.0256 155 ASP C CB 4162 C CG . ASP C 152 ? 1.1600 0.8462 0.9495 -0.2487 0.4160 -0.0130 155 ASP C CG 4163 O OD1 . ASP C 152 ? 1.1404 0.8990 0.9536 -0.2468 0.4329 -0.0324 155 ASP C OD1 4164 O OD2 . ASP C 152 ? 1.1629 0.8504 1.0015 -0.2797 0.4205 -0.0284 155 ASP C OD2 4165 N N . SER C 153 ? 1.2570 0.9333 0.8888 -0.2213 0.4592 0.0220 156 SER C N 4166 C CA . SER C 153 ? 1.2365 0.9816 0.8718 -0.2039 0.4674 -0.0021 156 SER C CA 4167 C C . SER C 153 ? 1.1293 0.9584 0.8623 -0.1751 0.4355 -0.0452 156 SER C C 4168 O O . SER C 153 ? 1.1101 0.9836 0.8487 -0.1500 0.4327 -0.0676 156 SER C O 4169 C CB . SER C 153 ? 1.3096 1.0891 0.9371 -0.2471 0.5315 -0.0104 156 SER C CB 4170 N N . ASP C 154 ? 1.0691 0.9141 0.8728 -0.1777 0.4114 -0.0564 157 ASP C N 4171 C CA . ASP C 154 ? 0.9797 0.8997 0.8721 -0.1505 0.3797 -0.0912 157 ASP C CA 4172 C C . ASP C 154 ? 0.9215 0.8068 0.8058 -0.1138 0.3242 -0.0803 157 ASP C C 4173 O O . ASP C 154 ? 0.8682 0.7947 0.7974 -0.0826 0.2954 -0.0999 157 ASP C O 4174 C CB . ASP C 154 ? 0.9602 0.9491 0.9458 -0.1807 0.3922 -0.1187 157 ASP C CB 4175 C CG . ASP C 154 ? 0.9958 1.0604 1.0221 -0.2095 0.4441 -0.1457 157 ASP C CG 4176 O OD1 . ASP C 154 ? 1.0002 1.0979 1.0183 -0.1876 0.4574 -0.1594 157 ASP C OD1 4177 O OD2 . ASP C 154 ? 1.0221 1.1166 1.0915 -0.2565 0.4738 -0.1573 157 ASP C OD2 4178 N N . VAL C 155 ? 0.9380 0.7464 0.7650 -0.1171 0.3114 -0.0489 158 VAL C N 4179 C CA . VAL C 155 ? 0.8874 0.6658 0.7022 -0.0865 0.2644 -0.0389 158 VAL C CA 4180 C C . VAL C 155 ? 0.8958 0.6456 0.6455 -0.0589 0.2510 -0.0257 158 VAL C C 4181 O O . VAL C 155 ? 0.9578 0.6759 0.6420 -0.0653 0.2729 -0.0080 158 VAL C O 4182 C CB . VAL C 155 ? 0.9062 0.6237 0.6991 -0.0989 0.2563 -0.0180 158 VAL C CB 4183 C CG1 . VAL C 155 ? 0.8528 0.5603 0.6484 -0.0702 0.2113 -0.0158 158 VAL C CG1 4184 C CG2 . VAL C 155 ? 0.9140 0.6536 0.7633 -0.1359 0.2757 -0.0347 158 VAL C CG2 4185 N N . TYR C 156 ? 0.8409 0.6022 0.6054 -0.0309 0.2153 -0.0347 159 TYR C N 4186 C CA . TYR C 156 ? 0.8467 0.5875 0.5579 -0.0095 0.1997 -0.0294 159 TYR C CA 4187 C C . TYR C 156 ? 0.8169 0.5296 0.5131 0.0054 0.1626 -0.0160 159 TYR C C 4188 O O . TYR C 156 ? 0.7685 0.4966 0.5049 0.0147 0.1386 -0.0262 159 TYR C O 4189 C CB . TYR C 156 ? 0.8300 0.6080 0.5678 0.0063 0.1990 -0.0581 159 TYR C CB 4190 C CG . TYR C 156 ? 0.8466 0.6696 0.6183 -0.0044 0.2357 -0.0794 159 TYR C CG 4191 C CD1 . TYR C 156 ? 0.9014 0.7220 0.6239 -0.0207 0.2727 -0.0759 159 TYR C CD1 4192 C CD2 . TYR C 156 ? 0.8107 0.6852 0.6633 0.0027 0.2336 -0.1031 159 TYR C CD2 4193 C CE1 . TYR C 156 ? 0.9226 0.7942 0.6799 -0.0340 0.3117 -0.0989 159 TYR C CE1 4194 C CE2 . TYR C 156 ? 0.8266 0.7578 0.7217 -0.0052 0.2679 -0.1276 159 TYR C CE2 4195 C CZ . TYR C 156 ? 0.8811 0.8121 0.7304 -0.0258 0.3094 -0.1271 159 TYR C CZ 4196 O OH . TYR C 156 ? 0.8984 0.8944 0.7929 -0.0369 0.3483 -0.1548 159 TYR C OH 4197 N N . ILE C 157 ? 0.8515 0.5257 0.4882 0.0089 0.1589 0.0073 160 ILE C N 4198 C CA . ILE C 157 ? 0.8301 0.4875 0.4531 0.0248 0.1268 0.0176 160 ILE C CA 4199 C C . ILE C 157 ? 0.8445 0.5089 0.4231 0.0398 0.1113 0.0149 160 ILE C C 4200 O O . ILE C 157 ? 0.8981 0.5557 0.4242 0.0402 0.1250 0.0223 160 ILE C O 4201 C CB . ILE C 157 ? 0.8680 0.4800 0.4641 0.0241 0.1300 0.0435 160 ILE C CB 4202 C CG1 . ILE C 157 ? 0.8593 0.4648 0.5012 0.0023 0.1466 0.0386 160 ILE C CG1 4203 C CG2 . ILE C 157 ? 0.8518 0.4573 0.4401 0.0454 0.0983 0.0497 160 ILE C CG2 4204 C CD1 . ILE C 157 ? 0.9179 0.4634 0.5333 -0.0031 0.1577 0.0606 160 ILE C CD1 4205 N N . THR C 158 ? 0.8031 0.4835 0.3999 0.0484 0.0843 0.0028 161 THR C N 4206 C CA . THR C 158 ? 0.8206 0.5145 0.3825 0.0565 0.0684 -0.0063 161 THR C CA 4207 C C . THR C 158 ? 0.8345 0.5283 0.3679 0.0705 0.0456 0.0095 161 THR C C 4208 O O . THR C 158 ? 0.8248 0.5033 0.3717 0.0765 0.0411 0.0251 161 THR C O 4209 C CB . THR C 158 ? 0.7868 0.4962 0.3809 0.0527 0.0557 -0.0325 161 THR C CB 4210 O OG1 . THR C 158 ? 0.7488 0.4601 0.3779 0.0517 0.0381 -0.0290 161 THR C OG1 4211 C CG2 . THR C 158 ? 0.7826 0.4923 0.4059 0.0490 0.0751 -0.0496 161 THR C CG2 4212 N N . ASP C 159 ? 0.8639 0.5793 0.3600 0.0772 0.0309 0.0016 162 ASP C N 4213 C CA . ASP C 159 ? 0.8817 0.6152 0.3555 0.0956 0.0044 0.0117 162 ASP C CA 4214 C C . ASP C 159 ? 0.8278 0.5916 0.3508 0.0910 -0.0156 -0.0061 162 ASP C C 4215 O O . ASP C 159 ? 0.7954 0.5646 0.3484 0.0724 -0.0123 -0.0275 162 ASP C O 4216 C CB . ASP C 159 ? 0.9361 0.6955 0.3524 0.1019 -0.0059 0.0049 162 ASP C CB 4217 C CG . ASP C 159 ? 0.9796 0.7552 0.3593 0.1305 -0.0321 0.0259 162 ASP C CG 4218 O OD1 . ASP C 159 ? 0.9486 0.7471 0.3649 0.1426 -0.0530 0.0245 162 ASP C OD1 4219 O OD2 . ASP C 159 ? 1.0519 0.8201 0.3640 0.1431 -0.0318 0.0437 162 ASP C OD2 4220 N N . LYS C 160 ? 0.8264 0.6072 0.3564 0.1089 -0.0343 0.0034 163 LYS C N 4221 C CA . LYS C 160 ? 0.7791 0.5947 0.3563 0.1024 -0.0483 -0.0131 163 LYS C CA 4222 C C . LYS C 160 ? 0.7748 0.6358 0.3570 0.0848 -0.0613 -0.0419 163 LYS C C 4223 O O . LYS C 160 ? 0.8127 0.6984 0.3603 0.0895 -0.0721 -0.0500 163 LYS C O 4224 C CB . LYS C 160 ? 0.7843 0.6163 0.3717 0.1294 -0.0632 -0.0018 163 LYS C CB 4225 C CG . LYS C 160 ? 0.8374 0.6941 0.3863 0.1609 -0.0844 0.0087 163 LYS C CG 4226 C CD . LYS C 160 ? 0.8433 0.7197 0.4153 0.1933 -0.1001 0.0149 163 LYS C CD 4227 C CE . LYS C 160 ? 0.9120 0.8120 0.4448 0.2344 -0.1261 0.0301 163 LYS C CE 4228 N NZ . LYS C 160 ? 0.9152 0.8650 0.4876 0.2682 -0.1476 0.0228 163 LYS C NZ 4229 N N . CYS C 161 ? 0.7374 0.6062 0.3587 0.0616 -0.0590 -0.0578 164 CYS C N 4230 C CA . CYS C 161 ? 0.7411 0.6369 0.3701 0.0354 -0.0649 -0.0865 164 CYS C CA 4231 C C . CYS C 161 ? 0.7114 0.6412 0.3809 0.0178 -0.0698 -0.0973 164 CYS C C 4232 O O . CYS C 161 ? 0.6868 0.5931 0.3772 0.0126 -0.0597 -0.0862 164 CYS C O 4233 C CB . CYS C 161 ? 0.7505 0.5968 0.3738 0.0172 -0.0473 -0.0948 164 CYS C CB 4234 S SG . CYS C 161 ? 0.7846 0.6356 0.4169 -0.0198 -0.0486 -0.1304 164 CYS C SG 4235 N N . VAL C 162 ? 0.7202 0.7120 0.3992 0.0065 -0.0848 -0.1212 165 VAL C N 4236 C CA . VAL C 162 ? 0.6997 0.7414 0.4188 -0.0141 -0.0870 -0.1362 165 VAL C CA 4237 C C . VAL C 162 ? 0.7112 0.7256 0.4379 -0.0610 -0.0728 -0.1532 165 VAL C C 4238 O O . VAL C 162 ? 0.7449 0.7446 0.4544 -0.0796 -0.0726 -0.1726 165 VAL C O 4239 C CB . VAL C 162 ? 0.7115 0.8480 0.4453 -0.0051 -0.1108 -0.1582 165 VAL C CB 4240 C CG1 . VAL C 162 ? 0.6927 0.8953 0.4766 -0.0246 -0.1093 -0.1757 165 VAL C CG1 4241 C CG2 . VAL C 162 ? 0.7230 0.8718 0.4362 0.0471 -0.1279 -0.1370 165 VAL C CG2 4242 N N . LEU C 163 ? 0.6951 0.6973 0.4422 -0.0800 -0.0598 -0.1458 166 LEU C N 4243 C CA . LEU C 163 ? 0.7216 0.6919 0.4709 -0.1261 -0.0452 -0.1564 166 LEU C CA 4244 C C . LEU C 163 ? 0.7208 0.7579 0.5021 -0.1578 -0.0407 -0.1728 166 LEU C C 4245 O O . LEU C 163 ? 0.6894 0.7798 0.4931 -0.1400 -0.0434 -0.1682 166 LEU C O 4246 C CB . LEU C 163 ? 0.7259 0.6089 0.4584 -0.1257 -0.0308 -0.1290 166 LEU C CB 4247 C CG . LEU C 163 ? 0.6993 0.5771 0.4382 -0.1174 -0.0247 -0.1047 166 LEU C CG 4248 C CD1 . LEU C 163 ? 0.7266 0.6098 0.4699 -0.1585 -0.0113 -0.1064 166 LEU C CD1 4249 C CD2 . LEU C 163 ? 0.6969 0.5048 0.4185 -0.0973 -0.0216 -0.0800 166 LEU C CD2 4250 N N . ASP C 164 ? 0.7623 0.7947 0.5467 -0.2067 -0.0308 -0.1947 167 ASP C N 4251 C CA . ASP C 164 ? 0.7720 0.8728 0.5888 -0.2481 -0.0211 -0.2152 167 ASP C CA 4252 C C . ASP C 164 ? 0.8201 0.8464 0.6189 -0.2957 0.0057 -0.2020 167 ASP C C 4253 O O . ASP C 164 ? 0.8735 0.8171 0.6465 -0.3198 0.0140 -0.2030 167 ASP C O 4254 C CB . ASP C 164 ? 0.7923 0.9721 0.6329 -0.2727 -0.0332 -0.2593 167 ASP C CB 4255 C CG . ASP C 164 ? 0.7923 1.0788 0.6821 -0.3090 -0.0261 -0.2870 167 ASP C CG 4256 O OD1 . ASP C 164 ? 0.7619 1.0875 0.6721 -0.2956 -0.0187 -0.2744 167 ASP C OD1 4257 O OD2 . ASP C 164 ? 0.8269 1.1644 0.7378 -0.3529 -0.0267 -0.3263 167 ASP C OD2 4258 N N . MET C 165 ? 0.8115 0.8632 0.6194 -0.3071 0.0199 -0.1891 168 MET C N 4259 C CA . MET C 165 ? 0.8685 0.8576 0.6515 -0.3548 0.0466 -0.1724 168 MET C CA 4260 C C . MET C 165 ? 0.9034 0.9626 0.7166 -0.4172 0.0646 -0.2057 168 MET C C 4261 O O . MET C 165 ? 0.8830 1.0305 0.7256 -0.4289 0.0752 -0.2154 168 MET C O 4262 C CB . MET C 165 ? 0.8490 0.8246 0.6143 -0.3350 0.0537 -0.1392 168 MET C CB 4263 C CG . MET C 165 ? 0.8179 0.7350 0.5611 -0.2794 0.0366 -0.1115 168 MET C CG 4264 S SD . MET C 165 ? 0.8266 0.7162 0.5407 -0.2648 0.0435 -0.0756 168 MET C SD 4265 C CE . MET C 165 ? 0.9237 0.7094 0.5847 -0.3103 0.0626 -0.0465 168 MET C CE 4266 N N . ARG C 166 ? 0.9598 0.9817 0.7683 -0.4586 0.0700 -0.2275 169 ARG C N 4267 C CA . ARG C 166 ? 0.9957 1.0944 0.8415 -0.5220 0.0836 -0.2707 169 ARG C CA 4268 C C . ARG C 166 ? 1.0216 1.1631 0.8788 -0.5720 0.1157 -0.2676 169 ARG C C 4269 O O . ARG C 166 ? 0.9912 1.2690 0.9046 -0.5867 0.1177 -0.3017 169 ARG C O 4270 C CB . ARG C 166 ? 1.0796 1.0910 0.9038 -0.5687 0.0927 -0.2893 169 ARG C CB 4271 C CG . ARG C 166 ? 1.0639 1.0833 0.8917 -0.5371 0.0639 -0.3169 169 ARG C CG 4272 C CD . ARG C 166 ? 1.1592 1.0638 0.9558 -0.5781 0.0773 -0.3322 169 ARG C CD 4273 N NE . ARG C 166 ? 1.1535 1.0533 0.9420 -0.5446 0.0531 -0.3567 169 ARG C NE 4274 C CZ . ARG C 166 ? 1.2282 1.0205 0.9855 -0.5587 0.0605 -0.3703 169 ARG C CZ 4275 N NH1 . ARG C 166 ? 1.3227 0.9912 1.0534 -0.6027 0.0897 -0.3582 169 ARG C NH1 4276 N NH2 . ARG C 166 ? 1.2176 1.0212 0.9659 -0.5272 0.0401 -0.3957 169 ARG C NH2 4277 N N . SER C 167 ? 1.0830 1.1130 0.8860 -0.5953 0.1404 -0.2267 170 SER C N 4278 C CA . SER C 167 ? 1.1325 1.1843 0.9293 -0.6539 0.1776 -0.2199 170 SER C CA 4279 C C . SER C 167 ? 1.0695 1.2121 0.8823 -0.6220 0.1795 -0.2108 170 SER C C 4280 O O . SER C 167 ? 1.1058 1.2894 0.9171 -0.6681 0.2121 -0.2106 170 SER C O 4281 C CB . SER C 167 ? 1.2417 1.1324 0.9625 -0.6901 0.2028 -0.1747 170 SER C CB 4282 O OG . SER C 167 ? 1.2285 1.0424 0.8997 -0.6331 0.1891 -0.1248 170 SER C OG 4283 N N . MET C 168 ? 0.9839 1.1548 0.8098 -0.5464 0.1478 -0.2055 171 MET C N 4284 C CA . MET C 168 ? 0.9276 1.1806 0.7725 -0.5108 0.1478 -0.2041 171 MET C CA 4285 C C . MET C 168 ? 0.8450 1.2184 0.7564 -0.4592 0.1202 -0.2396 171 MET C C 4286 O O . MET C 168 ? 0.8001 1.2338 0.7310 -0.4193 0.1170 -0.2419 171 MET C O 4287 C CB . MET C 168 ? 0.9234 1.0832 0.7111 -0.4681 0.1403 -0.1573 171 MET C CB 4288 C CG . MET C 168 ? 1.0112 1.0862 0.7326 -0.5115 0.1687 -0.1197 171 MET C CG 4289 S SD . MET C 168 ? 1.0025 1.0383 0.6735 -0.4634 0.1605 -0.0800 171 MET C SD 4290 C CE . MET C 168 ? 0.9768 0.9041 0.6262 -0.4071 0.1240 -0.0535 171 MET C CE 4291 N N . ASP C 169 ? 0.8345 1.2390 0.7764 -0.4593 0.1001 -0.2676 172 ASP C N 4292 C CA . ASP C 169 ? 0.7724 1.2833 0.7680 -0.4068 0.0681 -0.2966 172 ASP C CA 4293 C C . ASP C 169 ? 0.7191 1.2106 0.7033 -0.3306 0.0489 -0.2718 172 ASP C C 4294 O O . ASP C 169 ? 0.6812 1.2651 0.7081 -0.2925 0.0409 -0.2884 172 ASP C O 4295 C CB . ASP C 169 ? 0.7650 1.4357 0.8344 -0.4314 0.0772 -0.3434 172 ASP C CB 4296 C CG . ASP C 169 ? 0.7243 1.5055 0.8482 -0.3821 0.0387 -0.3758 172 ASP C CG 4297 O OD1 . ASP C 169 ? 0.7275 1.4702 0.8319 -0.3654 0.0117 -0.3750 172 ASP C OD1 4298 O OD2 . ASP C 169 ? 0.6965 1.6053 0.8811 -0.3576 0.0352 -0.4025 172 ASP C OD2 4299 N N . PHE C 170 ? 0.7234 1.0925 0.6522 -0.3097 0.0430 -0.2341 173 PHE C N 4300 C CA . PHE C 170 ? 0.6835 1.0196 0.5976 -0.2464 0.0271 -0.2108 173 PHE C CA 4301 C C . PHE C 170 ? 0.6737 0.9522 0.5667 -0.2111 0.0016 -0.1995 173 PHE C C 4302 O O . PHE C 170 ? 0.7015 0.8964 0.5600 -0.2307 0.0040 -0.1866 173 PHE C O 4303 C CB . PHE C 170 ? 0.6977 0.9560 0.5678 -0.2526 0.0448 -0.1778 173 PHE C CB 4304 C CG . PHE C 170 ? 0.6611 0.8917 0.5210 -0.1962 0.0316 -0.1604 173 PHE C CG 4305 C CD1 . PHE C 170 ? 0.6384 0.9371 0.5282 -0.1673 0.0333 -0.1757 173 PHE C CD1 4306 C CD2 . PHE C 170 ? 0.6566 0.7943 0.4806 -0.1736 0.0196 -0.1327 173 PHE C CD2 4307 C CE1 . PHE C 170 ? 0.6195 0.8833 0.4994 -0.1205 0.0237 -0.1631 173 PHE C CE1 4308 C CE2 . PHE C 170 ? 0.6372 0.7515 0.4551 -0.1296 0.0103 -0.1201 173 PHE C CE2 4309 C CZ . PHE C 170 ? 0.6202 0.7921 0.4639 -0.1050 0.0126 -0.1350 173 PHE C CZ 4310 N N . LYS C 171 ? 0.6432 0.9654 0.5553 -0.1578 -0.0208 -0.2046 174 LYS C N 4311 C CA . LYS C 171 ? 0.6407 0.9178 0.5284 -0.1217 -0.0427 -0.1926 174 LYS C CA 4312 C C . LYS C 171 ? 0.6210 0.8425 0.4889 -0.0760 -0.0451 -0.1641 174 LYS C C 4313 O O . LYS C 171 ? 0.6085 0.8619 0.4962 -0.0556 -0.0409 -0.1655 174 LYS C O 4314 C CB . LYS C 171 ? 0.6403 1.0085 0.5566 -0.0976 -0.0680 -0.2178 174 LYS C CB 4315 C CG . LYS C 171 ? 0.6662 1.0996 0.6062 -0.1468 -0.0686 -0.2537 174 LYS C CG 4316 C CD . LYS C 171 ? 0.6654 1.2332 0.6559 -0.1249 -0.0920 -0.2859 174 LYS C CD 4317 C CE . LYS C 171 ? 0.7001 1.3436 0.7202 -0.1817 -0.0921 -0.3284 174 LYS C CE 4318 N NZ . LYS C 171 ? 0.7171 1.3727 0.7610 -0.2478 -0.0570 -0.3426 174 LYS C NZ 4319 N N . SER C 172 ? 0.6258 0.7664 0.4573 -0.0626 -0.0492 -0.1423 175 SER C N 4320 C CA . SER C 172 ? 0.6129 0.7013 0.4282 -0.0269 -0.0490 -0.1181 175 SER C CA 4321 C C . SER C 172 ? 0.6225 0.6590 0.4084 -0.0023 -0.0582 -0.1028 175 SER C C 4322 O O . SER C 172 ? 0.6392 0.6403 0.4052 -0.0198 -0.0565 -0.1028 175 SER C O 4323 C CB . SER C 172 ? 0.6095 0.6479 0.4121 -0.0465 -0.0322 -0.1030 175 SER C CB 4324 O OG . SER C 172 ? 0.6250 0.6006 0.4024 -0.0682 -0.0277 -0.0915 175 SER C OG 4325 N N . ASN C 173 ? 0.6216 0.6504 0.4031 0.0372 -0.0648 -0.0908 176 ASN C N 4326 C CA . ASN C 173 ? 0.6367 0.6118 0.3858 0.0582 -0.0669 -0.0718 176 ASN C CA 4327 C C . ASN C 173 ? 0.6268 0.5360 0.3658 0.0483 -0.0511 -0.0562 176 ASN C C 4328 O O . ASN C 173 ? 0.6111 0.5153 0.3648 0.0380 -0.0430 -0.0558 176 ASN C O 4329 C CB . ASN C 173 ? 0.6567 0.6355 0.4000 0.1015 -0.0768 -0.0607 176 ASN C CB 4330 C CG . ASN C 173 ? 0.6771 0.7270 0.4282 0.1217 -0.0991 -0.0736 176 ASN C CG 4331 O OD1 . ASN C 173 ? 0.6917 0.7695 0.4298 0.1093 -0.1096 -0.0844 176 ASN C OD1 4332 N ND2 . ASN C 173 ? 0.6848 0.7683 0.4590 0.1553 -0.1077 -0.0760 176 ASN C ND2 4333 N N . SER C 174 ? 0.6394 0.5068 0.3537 0.0516 -0.0471 -0.0459 177 SER C N 4334 C CA . SER C 174 ? 0.6288 0.4477 0.3415 0.0446 -0.0338 -0.0349 177 SER C CA 4335 C C . SER C 174 ? 0.6499 0.4375 0.3383 0.0543 -0.0266 -0.0259 177 SER C C 4336 O O . SER C 174 ? 0.6744 0.4692 0.3420 0.0538 -0.0299 -0.0327 177 SER C O 4337 C CB . SER C 174 ? 0.6233 0.4318 0.3438 0.0188 -0.0303 -0.0409 177 SER C CB 4338 O OG . SER C 174 ? 0.6370 0.4377 0.3441 0.0091 -0.0309 -0.0512 177 SER C OG 4339 N N . ALA C 175 ? 0.6477 0.4049 0.3384 0.0596 -0.0148 -0.0138 178 ALA C N 4340 C CA . ALA C 175 ? 0.6680 0.3989 0.3415 0.0609 -0.0006 -0.0071 178 ALA C CA 4341 C C . ALA C 175 ? 0.6474 0.3668 0.3481 0.0493 0.0096 -0.0098 178 ALA C C 4342 O O . ALA C 175 ? 0.6243 0.3482 0.3486 0.0442 0.0057 -0.0104 178 ALA C O 4343 C CB . ALA C 175 ? 0.7022 0.4092 0.3524 0.0754 0.0071 0.0103 178 ALA C CB 4344 N N . VAL C 176 ? 0.6587 0.3705 0.3566 0.0470 0.0216 -0.0140 179 VAL C N 4345 C CA . VAL C 176 ? 0.6443 0.3566 0.3746 0.0424 0.0288 -0.0189 179 VAL C CA 4346 C C . VAL C 176 ? 0.6637 0.3732 0.3966 0.0402 0.0511 -0.0169 179 VAL C C 4347 O O . VAL C 176 ? 0.6978 0.4002 0.3996 0.0418 0.0641 -0.0152 179 VAL C O 4348 C CB . VAL C 176 ? 0.6468 0.3564 0.3841 0.0435 0.0243 -0.0310 179 VAL C CB 4349 C CG1 . VAL C 176 ? 0.6379 0.3530 0.4115 0.0486 0.0284 -0.0352 179 VAL C CG1 4350 C CG2 . VAL C 176 ? 0.6374 0.3443 0.3710 0.0370 0.0072 -0.0311 179 VAL C CG2 4351 N N . ALA C 177 ? 0.6489 0.3683 0.4166 0.0334 0.0564 -0.0184 180 ALA C N 4352 C CA . ALA C 177 ? 0.6687 0.3930 0.4484 0.0233 0.0813 -0.0203 180 ALA C CA 4353 C C . ALA C 177 ? 0.6489 0.4104 0.4826 0.0213 0.0820 -0.0356 180 ALA C C 4354 O O . ALA C 177 ? 0.6272 0.4028 0.4842 0.0264 0.0607 -0.0383 180 ALA C O 4355 C CB . ALA C 177 ? 0.6891 0.3887 0.4577 0.0119 0.0906 -0.0088 180 ALA C CB 4356 N N . TRP C 178 ? 0.6646 0.4472 0.5167 0.0150 0.1065 -0.0455 181 TRP C N 4357 C CA . TRP C 178 ? 0.6489 0.4825 0.5623 0.0156 0.1081 -0.0637 181 TRP C CA 4358 C C . TRP C 178 ? 0.6754 0.5366 0.6094 -0.0040 0.1443 -0.0747 181 TRP C C 4359 O O . TRP C 178 ? 0.7118 0.5458 0.6026 -0.0146 0.1696 -0.0659 181 TRP C O 4360 C CB . TRP C 178 ? 0.6408 0.4874 0.5721 0.0430 0.0924 -0.0736 181 TRP C CB 4361 C CG . TRP C 178 ? 0.6627 0.5045 0.5777 0.0513 0.1133 -0.0844 181 TRP C CG 4362 C CD1 . TRP C 178 ? 0.6745 0.5578 0.6268 0.0567 0.1356 -0.1057 181 TRP C CD1 4363 C CD2 . TRP C 178 ? 0.6869 0.4879 0.5450 0.0542 0.1147 -0.0795 181 TRP C CD2 4364 N NE1 . TRP C 178 ? 0.7110 0.5764 0.6282 0.0628 0.1529 -0.1149 181 TRP C NE1 4365 C CE2 . TRP C 178 ? 0.7185 0.5335 0.5760 0.0604 0.1388 -0.0992 181 TRP C CE2 4366 C CE3 . TRP C 178 ? 0.6869 0.4501 0.4978 0.0518 0.0977 -0.0644 181 TRP C CE3 4367 C CZ2 . TRP C 178 ? 0.7499 0.5385 0.5550 0.0626 0.1448 -0.1048 181 TRP C CZ2 4368 C CZ3 . TRP C 178 ? 0.7141 0.4577 0.4795 0.0542 0.1018 -0.0694 181 TRP C CZ3 4369 C CH2 . TRP C 178 ? 0.7477 0.5020 0.5074 0.0587 0.1243 -0.0896 181 TRP C CH2 4370 N N . SER C 179 ? 0.6635 0.5839 0.6622 -0.0098 0.1465 -0.0940 182 SER C N 4371 C CA . SER C 179 ? 0.6897 0.6507 0.7205 -0.0350 0.1838 -0.1096 182 SER C CA 4372 C C . SER C 179 ? 0.6711 0.7200 0.7851 -0.0234 0.1786 -0.1388 182 SER C C 4373 O O . SER C 179 ? 0.6438 0.7223 0.7936 -0.0089 0.1448 -0.1437 182 SER C O 4374 C CB . SER C 179 ? 0.7101 0.6478 0.7329 -0.0739 0.2000 -0.1026 182 SER C CB 4375 O OG . SER C 179 ? 0.7425 0.7191 0.7979 -0.1070 0.2402 -0.1183 182 SER C OG 4376 N N . ASN C 180 ? 0.6946 0.7898 0.8379 -0.0277 0.2118 -0.1586 183 ASN C N 4377 C CA . ASN C 180 ? 0.6829 0.8776 0.9168 -0.0166 0.2119 -0.1913 183 ASN C CA 4378 C C . ASN C 180 ? 0.6762 0.9283 0.9654 -0.0534 0.2149 -0.2061 183 ASN C C 4379 O O . ASN C 180 ? 0.6574 0.9987 1.0250 -0.0403 0.1964 -0.2313 183 ASN C O 4380 C CB . ASN C 180 ? 0.7118 0.9479 0.9640 -0.0159 0.2540 -0.2135 183 ASN C CB 4381 N N . LYS C 181 ? 0.6996 0.8982 0.9465 -0.0978 0.2365 -0.1914 184 LYS C N 4382 C CA . LYS C 181 ? 0.7066 0.9411 0.9965 -0.1430 0.2461 -0.2079 184 LYS C CA 4383 C C . LYS C 181 ? 0.6737 0.9127 0.9758 -0.1320 0.1981 -0.2087 184 LYS C C 4384 O O . LYS C 181 ? 0.6793 0.9607 1.0241 -0.1652 0.1967 -0.2302 184 LYS C O 4385 C CB . LYS C 181 ? 0.7610 0.9135 0.9909 -0.1911 0.2869 -0.1886 184 LYS C CB 4386 N N . ASP C 183 ? 0.7379 0.9680 1.0821 -0.2665 0.2100 -0.2562 186 ASP C N 4387 C CA . ASP C 183 ? 0.7772 0.9113 1.0704 -0.2941 0.2160 -0.2480 186 ASP C CA 4388 C C . ASP C 183 ? 0.7711 0.8015 0.9785 -0.2545 0.2014 -0.2062 186 ASP C C 4389 O O . ASP C 183 ? 0.8060 0.7503 0.9666 -0.2655 0.2053 -0.1960 186 ASP C O 4390 C CB . ASP C 183 ? 0.8528 0.9369 1.1409 -0.3548 0.2721 -0.2523 186 ASP C CB 4391 C CG . ASP C 183 ? 0.8901 0.9038 1.1195 -0.3486 0.3093 -0.2146 186 ASP C CG 4392 O OD1 . ASP C 183 ? 0.8577 0.9221 1.0973 -0.3165 0.3065 -0.2087 186 ASP C OD1 4393 O OD2 . ASP C 183 ? 0.9629 0.8678 1.1323 -0.3744 0.3408 -0.1914 186 ASP C OD2 4394 N N . PHE C 184 ? 0.7317 0.7729 0.9225 -0.2085 0.1852 -0.1859 187 PHE C N 4395 C CA . PHE C 184 ? 0.7222 0.6816 0.8396 -0.1735 0.1713 -0.1508 187 PHE C CA 4396 C C . PHE C 184 ? 0.6885 0.6487 0.7949 -0.1498 0.1282 -0.1510 187 PHE C C 4397 O O . PHE C 184 ? 0.6498 0.6611 0.7741 -0.1192 0.0964 -0.1523 187 PHE C O 4398 C CB . PHE C 184 ? 0.7041 0.6711 0.8062 -0.1400 0.1732 -0.1344 187 PHE C CB 4399 C CG . PHE C 184 ? 0.6939 0.5916 0.7279 -0.1076 0.1565 -0.1043 187 PHE C CG 4400 C CD1 . PHE C 184 ? 0.6446 0.5609 0.6775 -0.0705 0.1222 -0.0999 187 PHE C CD1 4401 C CD2 . PHE C 184 ? 0.7292 0.5438 0.7007 -0.1144 0.1749 -0.0801 187 PHE C CD2 4402 C CE1 . PHE C 184 ? 0.6381 0.4996 0.6150 -0.0478 0.1092 -0.0773 187 PHE C CE1 4403 C CE2 . PHE C 184 ? 0.7166 0.4844 0.6340 -0.0845 0.1571 -0.0572 187 PHE C CE2 4404 C CZ . PHE C 184 ? 0.6707 0.4663 0.5939 -0.0546 0.1255 -0.0584 187 PHE C CZ 4405 N N . ALA C 185 ? 0.7136 0.6125 0.7873 -0.1640 0.1296 -0.1493 188 ALA C N 4406 C CA . ALA C 185 ? 0.6894 0.5823 0.7425 -0.1450 0.0962 -0.1497 188 ALA C CA 4407 C C . ALA C 185 ? 0.6799 0.5111 0.6744 -0.1124 0.0894 -0.1179 188 ALA C C 4408 O O . ALA C 185 ? 0.7090 0.4798 0.6687 -0.1109 0.1117 -0.0979 188 ALA C O 4409 C CB . ALA C 185 ? 0.7273 0.5941 0.7816 -0.1760 0.1025 -0.1731 188 ALA C CB 4410 N N . CYS C 186 ? 0.6460 0.4967 0.6284 -0.0880 0.0582 -0.1136 189 CYS C N 4411 C CA . CYS C 186 ? 0.6298 0.4410 0.5666 -0.0609 0.0488 -0.0895 189 CYS C CA 4412 C C . CYS C 186 ? 0.6531 0.4044 0.5557 -0.0616 0.0573 -0.0858 189 CYS C C 4413 O O . CYS C 186 ? 0.6511 0.3674 0.5199 -0.0419 0.0576 -0.0665 189 CYS C O 4414 C CB . CYS C 186 ? 0.6025 0.4515 0.5372 -0.0429 0.0173 -0.0875 189 CYS C CB 4415 S SG . CYS C 186 ? 0.5905 0.4200 0.4940 -0.0144 0.0077 -0.0616 189 CYS C SG 4416 N N . ALA C 187 ? 0.6810 0.4238 0.5952 -0.0826 0.0632 -0.1079 190 ALA C N 4417 C CA . ALA C 187 ? 0.7226 0.4008 0.6098 -0.0802 0.0743 -0.1089 190 ALA C CA 4418 C C . ALA C 187 ? 0.7704 0.3795 0.6352 -0.0808 0.1012 -0.0878 190 ALA C C 4419 O O . ALA C 187 ? 0.7885 0.3546 0.6176 -0.0545 0.1006 -0.0663 190 ALA C O 4420 C CB . ALA C 187 ? 0.7504 0.4306 0.6559 -0.1054 0.0769 -0.1438 190 ALA C CB 4421 N N . ASN C 188 ? 0.8004 0.4039 0.6846 -0.1111 0.1246 -0.0933 191 ASN C N 4422 C CA . ASN C 188 ? 0.8626 0.3981 0.7159 -0.1163 0.1540 -0.0686 191 ASN C CA 4423 C C . ASN C 188 ? 0.8373 0.4061 0.6850 -0.1082 0.1578 -0.0496 191 ASN C C 4424 O O . ASN C 188 ? 0.8489 0.4436 0.7206 -0.1345 0.1792 -0.0559 191 ASN C O 4425 C CB . ASN C 188 ? 0.9301 0.4242 0.7988 -0.1603 0.1858 -0.0846 191 ASN C CB 4426 C CG . ASN C 188 ? 0.9746 0.4106 0.8368 -0.1638 0.1862 -0.1031 191 ASN C CG 4427 O OD1 . ASN C 188 ? 0.9696 0.3748 0.8038 -0.1275 0.1703 -0.0938 191 ASN C OD1 4428 N ND2 . ASN C 188 ? 1.0238 0.4497 0.9159 -0.2086 0.2054 -0.1342 191 ASN C ND2 4429 N N . ALA C 189 ? 0.8083 0.3814 0.6270 -0.0728 0.1378 -0.0311 192 ALA C N 4430 C CA . ALA C 189 ? 0.7842 0.3878 0.5931 -0.0601 0.1366 -0.0184 192 ALA C CA 4431 C C . ALA C 189 ? 0.8216 0.3750 0.5712 -0.0354 0.1369 0.0103 192 ALA C C 4432 O O . ALA C 189 ? 0.8493 0.3945 0.5700 -0.0354 0.1523 0.0256 192 ALA C O 4433 C CB . ALA C 189 ? 0.7122 0.3776 0.5460 -0.0434 0.1070 -0.0296 192 ALA C CB 4434 N N . PHE C 190 ? 0.8270 0.3544 0.5592 -0.0134 0.1192 0.0151 193 PHE C N 4435 C CA . PHE C 190 ? 0.8621 0.3524 0.5439 0.0161 0.1123 0.0400 193 PHE C CA 4436 C C . PHE C 190 ? 0.9473 0.3554 0.6001 0.0185 0.1285 0.0557 193 PHE C C 4437 O O . PHE C 190 ? 0.9809 0.3567 0.6048 0.0513 0.1153 0.0702 193 PHE C O 4438 C CB . PHE C 190 ? 0.8119 0.3396 0.5006 0.0423 0.0814 0.0324 193 PHE C CB 4439 C CG . PHE C 190 ? 0.7431 0.3321 0.4506 0.0394 0.0675 0.0215 193 PHE C CG 4440 C CD1 . PHE C 190 ? 0.6977 0.3257 0.4457 0.0247 0.0606 0.0018 193 PHE C CD1 4441 C CD2 . PHE C 190 ? 0.7442 0.3476 0.4246 0.0517 0.0608 0.0307 193 PHE C CD2 4442 C CE1 . PHE C 190 ? 0.6518 0.3208 0.4120 0.0254 0.0481 -0.0039 193 PHE C CE1 4443 C CE2 . PHE C 190 ? 0.6951 0.3412 0.3919 0.0479 0.0505 0.0184 193 PHE C CE2 4444 C CZ . PHE C 190 ? 0.6480 0.3207 0.3841 0.0362 0.0448 0.0034 193 PHE C CZ 4445 N N . ASN C 191 ? 0.9912 0.3655 0.6536 -0.0160 0.1578 0.0521 194 ASN C N 4446 C CA . ASN C 191 ? 1.0886 0.3692 0.7265 -0.0224 0.1787 0.0637 194 ASN C CA 4447 C C . ASN C 191 ? 1.1854 0.3907 0.7509 -0.0058 0.1923 0.1075 194 ASN C C 4448 O O . ASN C 191 ? 1.2827 0.3928 0.8156 -0.0015 0.2070 0.1256 194 ASN C O 4449 C CB . ASN C 191 ? 1.1099 0.3819 0.7857 -0.0738 0.2076 0.0403 194 ASN C CB 4450 C CG . ASN C 191 ? 1.1411 0.4199 0.8087 -0.1082 0.2398 0.0513 194 ASN C CG 4451 O OD1 . ASN C 191 ? 1.2297 0.4335 0.8692 -0.1358 0.2747 0.0669 194 ASN C OD1 4452 N ND2 . ASN C 191 ? 1.0698 0.4354 0.7613 -0.1075 0.2312 0.0423 194 ASN C ND2 4453 N N . ASN C 192 ? 1.1701 0.4138 0.7064 0.0034 0.1880 0.1241 195 ASN C N 4454 C CA A ASN C 192 ? 1.2610 0.4483 0.7180 0.0226 0.1953 0.1667 195 ASN C CA 4455 C CA B ASN C 192 ? 1.2636 0.4473 0.7203 0.0228 0.1957 0.1671 195 ASN C CA 4456 C C . ASN C 192 ? 1.2622 0.4536 0.6916 0.0783 0.1569 0.1808 195 ASN C C 4457 O O . ASN C 192 ? 1.3525 0.4895 0.7141 0.1070 0.1534 0.2183 195 ASN C O 4458 C CB A ASN C 192 ? 1.2478 0.4840 0.6851 0.0047 0.2097 0.1707 195 ASN C CB 4459 C CB B ASN C 192 ? 1.2652 0.4856 0.6961 0.0018 0.2149 0.1751 195 ASN C CB 4460 C CG A ASN C 192 ? 1.2311 0.4922 0.7127 -0.0473 0.2453 0.1487 195 ASN C CG 4461 C CG B ASN C 192 ? 1.3909 0.5324 0.7308 0.0045 0.2374 0.2216 195 ASN C CG 4462 O OD1 A ASN C 192 ? 1.1483 0.4924 0.6741 -0.0578 0.2423 0.1220 195 ASN C OD1 4463 O OD1 B ASN C 192 ? 1.4847 0.5286 0.7855 0.0125 0.2468 0.2497 195 ASN C OD1 4464 N ND2 A ASN C 192 ? 1.3129 0.5022 0.7859 -0.0799 0.2793 0.1581 195 ASN C ND2 4465 N ND2 B ASN C 192 ? 1.4005 0.5791 0.7013 -0.0013 0.2471 0.2302 195 ASN C ND2 4466 N N . SER C 193 ? 1.1659 0.4282 0.6482 0.0925 0.1281 0.1504 196 SER C N 4467 C CA . SER C 193 ? 1.1527 0.4402 0.6296 0.1399 0.0925 0.1526 196 SER C CA 4468 C C . SER C 193 ? 1.1788 0.4208 0.6799 0.1572 0.0898 0.1431 196 SER C C 4469 O O . SER C 193 ? 1.1832 0.3918 0.7129 0.1265 0.1115 0.1262 196 SER C O 4470 C CB . SER C 193 ? 1.0417 0.4305 0.5624 0.1378 0.0692 0.1227 196 SER C CB 4471 O OG . SER C 193 ? 1.0135 0.4383 0.5258 0.1140 0.0784 0.1206 196 SER C OG 4472 N N . ILE C 194 ? 1.2003 0.4464 0.6933 0.2063 0.0633 0.1493 197 ILE C N 4473 C CA . ILE C 194 ? 1.2233 0.4363 0.7458 0.2287 0.0604 0.1327 197 ILE C CA 4474 C C . ILE C 194 ? 1.1223 0.4329 0.7055 0.2320 0.0402 0.0924 197 ILE C C 4475 O O . ILE C 194 ? 1.0861 0.4682 0.6762 0.2588 0.0139 0.0895 197 ILE C O 4476 C CB . ILE C 194 ? 1.3367 0.4745 0.8143 0.2856 0.0498 0.1651 197 ILE C CB 4477 C CG1 . ILE C 194 ? 1.4586 0.4630 0.8856 0.2707 0.0826 0.1969 197 ILE C CG1 4478 C CG2 . ILE C 194 ? 1.3354 0.4818 0.8567 0.3239 0.0359 0.1381 197 ILE C CG2 4479 C CD1 . ILE C 194 ? 1.5169 0.4919 0.8741 0.2556 0.0948 0.2395 197 ILE C CD1 4480 N N . ILE C 195 ? 1.0849 0.4005 0.7095 0.2002 0.0542 0.0607 198 ILE C N 4481 C CA . ILE C 195 ? 0.9993 0.4012 0.6725 0.1928 0.0415 0.0245 198 ILE C CA 4482 C C . ILE C 195 ? 1.0266 0.4251 0.7237 0.2259 0.0362 0.0016 198 ILE C C 4483 O O . ILE C 195 ? 1.1112 0.4243 0.7964 0.2433 0.0487 0.0049 198 ILE C O 4484 C CB . ILE C 195 ? 0.9470 0.3688 0.6471 0.1418 0.0558 0.0020 198 ILE C CB 4485 N N . PRO C 196 ? 0.9641 0.4529 0.6947 0.2342 0.0204 -0.0230 199 PRO C N 4486 C CA . PRO C 196 ? 0.9803 0.4859 0.7415 0.2610 0.0195 -0.0539 199 PRO C CA 4487 C C . PRO C 196 ? 0.9915 0.4647 0.7679 0.2309 0.0403 -0.0851 199 PRO C C 4488 O O . PRO C 196 ? 0.9564 0.4341 0.7316 0.1850 0.0487 -0.0885 199 PRO C O 4489 C CB . PRO C 196 ? 0.9002 0.5210 0.6905 0.2570 0.0042 -0.0723 199 PRO C CB 4490 C CG . PRO C 196 ? 0.8674 0.5159 0.6371 0.2475 -0.0091 -0.0454 199 PRO C CG 4491 C CD . PRO C 196 ? 0.8859 0.4634 0.6248 0.2197 0.0049 -0.0232 199 PRO C CD 4492 N N . GLU C 197 ? 1.0459 0.4919 0.8382 0.2585 0.0474 -0.1112 200 GLU C N 4493 C CA . GLU C 197 ? 1.0661 0.4852 0.8713 0.2301 0.0668 -0.1493 200 GLU C CA 4494 C C . GLU C 197 ? 0.9818 0.4986 0.8056 0.1918 0.0638 -0.1768 200 GLU C C 4495 O O . GLU C 197 ? 0.9618 0.4774 0.7817 0.1471 0.0705 -0.1852 200 GLU C O 4496 C CB . GLU C 197 ? 1.1451 0.5170 0.9642 0.2726 0.0756 -0.1773 200 GLU C CB 4497 N N . ASP C 198 ? 0.9382 0.5421 0.7807 0.2088 0.0534 -0.1886 201 ASP C N 4498 C CA . ASP C 198 ? 0.8775 0.5668 0.7287 0.1745 0.0535 -0.2119 201 ASP C CA 4499 C C . ASP C 198 ? 0.8118 0.5353 0.6482 0.1369 0.0431 -0.1854 201 ASP C C 4500 O O . ASP C 198 ? 0.7674 0.5592 0.6041 0.1148 0.0397 -0.1927 201 ASP C O 4501 C CB . ASP C 198 ? 0.8648 0.6359 0.7415 0.1992 0.0523 -0.2358 201 ASP C CB 4502 C CG . ASP C 198 ? 0.8282 0.6522 0.7137 0.2177 0.0353 -0.2104 201 ASP C CG 4503 O OD1 . ASP C 198 ? 0.7709 0.6521 0.6513 0.1858 0.0296 -0.2006 201 ASP C OD1 4504 O OD2 . ASP C 198 ? 0.8654 0.6735 0.7618 0.2648 0.0267 -0.2017 201 ASP C OD2 4505 N N . THR C 199 ? 0.8151 0.4866 0.6363 0.1301 0.0405 -0.1550 202 THR C N 4506 C CA . THR C 199 ? 0.7623 0.4588 0.5734 0.1006 0.0321 -0.1329 202 THR C CA 4507 C C . THR C 199 ? 0.7460 0.4633 0.5575 0.0638 0.0345 -0.1508 202 THR C C 4508 O O . THR C 199 ? 0.7830 0.4670 0.5979 0.0521 0.0445 -0.1716 202 THR C O 4509 C CB . THR C 199 ? 0.7781 0.4182 0.5739 0.1014 0.0335 -0.1016 202 THR C CB 4510 O OG1 . THR C 199 ? 0.8162 0.4225 0.6019 0.1398 0.0311 -0.0852 202 THR C OG1 4511 C CG2 . THR C 199 ? 0.7239 0.3998 0.5133 0.0839 0.0236 -0.0814 202 THR C CG2 4512 N N . PHE C 200 ? 0.7022 0.4732 0.5081 0.0459 0.0242 -0.1430 203 PHE C N 4513 C CA . PHE C 200 ? 0.6932 0.4931 0.4925 0.0170 0.0204 -0.1550 203 PHE C CA 4514 C C . PHE C 200 ? 0.6841 0.4674 0.4861 0.0010 0.0147 -0.1388 203 PHE C C 4515 O O . PHE C 200 ? 0.6616 0.4445 0.4616 0.0042 0.0083 -0.1129 203 PHE C O 4516 C CB . PHE C 200 ? 0.6680 0.5251 0.4530 0.0077 0.0135 -0.1506 203 PHE C CB 4517 C CG . PHE C 200 ? 0.6668 0.5538 0.4329 -0.0172 0.0061 -0.1565 203 PHE C CG 4518 C CD1 . PHE C 200 ? 0.6815 0.5715 0.4464 -0.0284 0.0091 -0.1866 203 PHE C CD1 4519 C CD2 . PHE C 200 ? 0.6484 0.5582 0.3936 -0.0290 -0.0049 -0.1320 203 PHE C CD2 4520 C CE1 . PHE C 200 ? 0.6890 0.6156 0.4311 -0.0492 -0.0025 -0.1915 203 PHE C CE1 4521 C CE2 . PHE C 200 ? 0.6515 0.5866 0.3709 -0.0465 -0.0157 -0.1314 203 PHE C CE2 4522 C CZ . PHE C 200 ? 0.6756 0.6250 0.3929 -0.0556 -0.0164 -0.1608 203 PHE C CZ 4523 N N . PHE C 201 ? 0.7086 0.4828 0.5191 -0.0166 0.0182 -0.1592 204 PHE C N 4524 C CA . PHE C 201 ? 0.7024 0.4780 0.5263 -0.0337 0.0138 -0.1517 204 PHE C CA 4525 C C . PHE C 201 ? 0.7020 0.5307 0.5250 -0.0536 -0.0011 -0.1690 204 PHE C C 4526 O O . PHE C 201 ? 0.7297 0.5621 0.5624 -0.0719 0.0026 -0.2004 204 PHE C O 4527 C CB . PHE C 201 ? 0.7429 0.4647 0.5826 -0.0426 0.0322 -0.1615 204 PHE C CB 4528 C CG . PHE C 201 ? 0.7603 0.4246 0.5911 -0.0217 0.0448 -0.1368 204 PHE C CG 4529 C CD1 . PHE C 201 ? 0.7969 0.4104 0.6185 -0.0021 0.0560 -0.1431 204 PHE C CD1 4530 C CD2 . PHE C 201 ? 0.7389 0.4001 0.5679 -0.0187 0.0447 -0.1085 204 PHE C CD2 4531 C CE1 . PHE C 201 ? 0.8174 0.3788 0.6237 0.0219 0.0630 -0.1164 204 PHE C CE1 4532 C CE2 . PHE C 201 ? 0.7606 0.3725 0.5715 0.0002 0.0546 -0.0851 204 PHE C CE2 4533 C CZ . PHE C 201 ? 0.8066 0.3688 0.6039 0.0213 0.0618 -0.0865 204 PHE C CZ 4534 N N . PRO C 202 ? 0.6796 0.5464 0.4876 -0.0504 -0.0188 -0.1488 205 PRO C N 4535 C CA . PRO C 202 ? 0.6908 0.6081 0.4887 -0.0629 -0.0385 -0.1566 205 PRO C CA 4536 C C . PRO C 202 ? 0.6946 0.6313 0.5264 -0.0739 -0.0461 -0.1657 205 PRO C C 4537 O O . PRO C 202 ? 0.6798 0.5964 0.5367 -0.0687 -0.0389 -0.1518 205 PRO C O 4538 C CB . PRO C 202 ? 0.6763 0.6052 0.4493 -0.0516 -0.0526 -0.1220 205 PRO C CB 4539 C CG . PRO C 202 ? 0.6585 0.5516 0.4302 -0.0390 -0.0386 -0.1053 205 PRO C CG 4540 C CD . PRO C 202 ? 0.6546 0.5124 0.4527 -0.0349 -0.0221 -0.1162 205 PRO C CD 4541 N N . SER C 203 ? 0.7206 0.7038 0.5537 -0.0904 -0.0600 -0.1922 206 SER C N 4542 C CA . SER C 203 ? 0.7253 0.7479 0.5985 -0.1038 -0.0700 -0.2078 206 SER C CA 4543 C C . SER C 203 ? 0.7097 0.7703 0.5899 -0.0841 -0.0949 -0.1783 206 SER C C 4544 O O . SER C 203 ? 0.7174 0.7892 0.5588 -0.0686 -0.1138 -0.1550 206 SER C O 4545 C CB . SER C 203 ? 0.7609 0.8308 0.6330 -0.1283 -0.0806 -0.2505 206 SER C CB 4546 O OG . SER C 203 ? 0.7925 0.8158 0.6652 -0.1456 -0.0541 -0.2826 206 SER C OG 4547 N N . PRO C 204 ? 0.6969 0.7739 0.6260 -0.0844 -0.0924 -0.1795 207 PRO C N 4548 C CA . PRO C 204 ? 0.6844 0.7945 0.6298 -0.0592 -0.1132 -0.1555 207 PRO C CA 4549 C C . PRO C 204 ? 0.7063 0.8990 0.6618 -0.0550 -0.1499 -0.1672 207 PRO C C 4550 O O . PRO C 204 ? 0.7347 0.9467 0.6486 -0.0597 -0.1674 -0.1723 207 PRO C O 4551 C CB . PRO C 204 ? 0.6668 0.7731 0.6654 -0.0656 -0.0906 -0.1626 207 PRO C CB 4552 C CG . PRO C 204 ? 0.6838 0.7907 0.7045 -0.1032 -0.0708 -0.1998 207 PRO C CG 4553 C CD . PRO C 204 ? 0.7012 0.7647 0.6732 -0.1100 -0.0662 -0.2054 207 PRO C CD 4554 N N . VAL D 4 ? 1.0758 0.9644 0.8958 -0.2638 -0.0302 0.1162 4 VAL D N 4555 C CA . VAL D 4 ? 1.0011 0.8864 0.8487 -0.2102 -0.0442 0.0730 4 VAL D CA 4556 C C . VAL D 4 ? 1.0033 0.8893 0.8103 -0.1782 -0.0555 0.0743 4 VAL D C 4557 O O . VAL D 4 ? 0.9582 0.9098 0.7586 -0.1687 -0.0339 0.0540 4 VAL D O 4558 C CB . VAL D 4 ? 0.9113 0.8714 0.8074 -0.2012 -0.0169 0.0295 4 VAL D CB 4559 C CG1 . VAL D 4 ? 0.8487 0.7950 0.7717 -0.1561 -0.0326 -0.0063 4 VAL D CG1 4560 C CG2 . VAL D 4 ? 0.9186 0.8977 0.8548 -0.2377 -0.0045 0.0302 4 VAL D CG2 4561 N N . THR D 5 ? 1.0622 0.8745 0.8468 -0.1608 -0.0922 0.0956 5 THR D N 4562 C CA . THR D 5 ? 1.0813 0.8919 0.8290 -0.1316 -0.1107 0.1017 5 THR D CA 4563 C C . THR D 5 ? 1.0145 0.8348 0.7978 -0.0829 -0.1222 0.0577 5 THR D C 4564 O O . THR D 5 ? 0.9884 0.7829 0.8119 -0.0677 -0.1302 0.0344 5 THR D O 4565 C CB . THR D 5 ? 1.1921 0.9177 0.8992 -0.1339 -0.1500 0.1505 5 THR D CB 4566 O OG1 . THR D 5 ? 1.2608 0.9483 0.9542 -0.1836 -0.1446 0.1911 5 THR D OG1 4567 C CG2 . THR D 5 ? 1.2349 0.9824 0.8838 -0.1257 -0.1604 0.1738 5 THR D CG2 4568 N N . GLN D 6 ? 0.9942 0.8570 0.7614 -0.0616 -0.1225 0.0454 6 GLN D N 4569 C CA . GLN D 6 ? 0.9410 0.8211 0.7402 -0.0204 -0.1324 0.0074 6 GLN D CA 4570 C C . GLN D 6 ? 0.9852 0.8571 0.7602 0.0062 -0.1644 0.0178 6 GLN D C 4571 O O . GLN D 6 ? 1.0234 0.9173 0.7537 -0.0056 -0.1658 0.0392 6 GLN D O 4572 C CB . GLN D 6 ? 0.8592 0.8119 0.6795 -0.0207 -0.0998 -0.0280 6 GLN D CB 4573 C CG . GLN D 6 ? 0.8010 0.7628 0.6628 -0.0253 -0.0793 -0.0513 6 GLN D CG 4574 C CD . GLN D 6 ? 0.7372 0.7564 0.6206 -0.0199 -0.0547 -0.0833 6 GLN D CD 4575 O OE1 . GLN D 6 ? 0.7158 0.7639 0.6092 -0.0371 -0.0302 -0.0901 6 GLN D OE1 4576 N NE2 . GLN D 6 ? 0.7109 0.7466 0.6056 0.0037 -0.0622 -0.1035 6 GLN D NE2 4577 N N . SER D 7 ? 0.9848 0.8314 0.7900 0.0438 -0.1909 0.0000 7 SER D N 4578 C CA . SER D 7 ? 1.0145 0.8683 0.8137 0.0775 -0.2230 -0.0009 7 SER D CA 4579 C C . SER D 7 ? 0.9568 0.8435 0.8108 0.1146 -0.2256 -0.0481 7 SER D C 4580 O O . SER D 7 ? 0.9452 0.8045 0.8315 0.1264 -0.2258 -0.0669 7 SER D O 4581 C CB . SER D 7 ? 1.1201 0.8936 0.8908 0.0875 -0.2665 0.0410 7 SER D CB 4582 O OG . SER D 7 ? 1.1441 0.8532 0.9499 0.1069 -0.2852 0.0306 7 SER D OG 4583 N N . PRO D 8 ? 0.9251 0.8766 0.7897 0.1304 -0.2268 -0.0694 8 PRO D N 4584 C CA . PRO D 8 ? 0.9476 0.9340 0.7731 0.1203 -0.2329 -0.0533 8 PRO D CA 4585 C C . PRO D 8 ? 0.8995 0.9314 0.7088 0.0838 -0.1924 -0.0609 8 PRO D C 4586 O O . PRO D 8 ? 0.8401 0.8831 0.6779 0.0721 -0.1617 -0.0818 8 PRO D O 4587 C CB . PRO D 8 ? 0.9280 0.9706 0.7897 0.1541 -0.2513 -0.0851 8 PRO D CB 4588 C CG . PRO D 8 ? 0.8605 0.9270 0.7790 0.1642 -0.2291 -0.1250 8 PRO D CG 4589 C CD . PRO D 8 ? 0.8638 0.8678 0.7812 0.1545 -0.2185 -0.1148 8 PRO D CD 4590 N N . ARG D 9 ? 0.9320 0.9899 0.6947 0.0683 -0.1948 -0.0452 9 ARG D N 4591 C CA . ARG D 9 ? 0.8945 1.0022 0.6443 0.0396 -0.1593 -0.0618 9 ARG D CA 4592 C C . ARG D 9 ? 0.8390 1.0081 0.6251 0.0500 -0.1533 -0.1060 9 ARG D C 4593 O O . ARG D 9 ? 0.7869 0.9822 0.5961 0.0352 -0.1221 -0.1331 9 ARG D O 4594 C CB . ARG D 9 ? 0.9630 1.0799 0.6432 0.0170 -0.1623 -0.0315 9 ARG D CB 4595 N N . ASN D 10 ? 0.8553 1.0460 0.6499 0.0750 -0.1855 -0.1126 10 ASN D N 4596 C CA . ASN D 10 ? 0.8086 1.0610 0.6459 0.0825 -0.1836 -0.1541 10 ASN D CA 4597 C C . ASN D 10 ? 0.7969 1.0569 0.6836 0.1165 -0.2075 -0.1664 10 ASN D C 4598 O O . ASN D 10 ? 0.8458 1.0703 0.7225 0.1420 -0.2402 -0.1432 10 ASN D O 4599 C CB . ASN D 10 ? 0.8449 1.1468 0.6485 0.0761 -0.1992 -0.1616 10 ASN D CB 4600 C CG . ASN D 10 ? 0.8543 1.1671 0.6152 0.0438 -0.1711 -0.1642 10 ASN D CG 4601 O OD1 . ASN D 10 ? 0.8241 1.1762 0.6049 0.0296 -0.1513 -0.2017 10 ASN D OD1 4602 N ND2 . ASN D 10 ? 0.9037 1.1830 0.6082 0.0313 -0.1690 -0.1261 10 ASN D ND2 4603 N N . LYS D 11 ? 0.7385 1.0452 0.6798 0.1165 -0.1909 -0.2031 11 LYS D N 4604 C CA . LYS D 11 ? 0.7234 1.0598 0.7190 0.1465 -0.2067 -0.2234 11 LYS D CA 4605 C C . LYS D 11 ? 0.6783 1.0914 0.7246 0.1356 -0.1922 -0.2623 11 LYS D C 4606 O O . LYS D 11 ? 0.6396 1.0588 0.6964 0.1063 -0.1581 -0.2748 11 LYS D O 4607 C CB . LYS D 11 ? 0.7051 0.9989 0.7206 0.1585 -0.1948 -0.2209 11 LYS D CB 4608 C CG . LYS D 11 ? 0.7115 1.0305 0.7762 0.1977 -0.2156 -0.2418 11 LYS D CG 4609 C CD . LYS D 11 ? 0.7834 1.0620 0.8310 0.2336 -0.2632 -0.2203 11 LYS D CD 4610 C CE . LYS D 11 ? 0.7941 1.0878 0.8958 0.2791 -0.2838 -0.2462 11 LYS D CE 4611 N NZ . LYS D 11 ? 0.7774 1.1681 0.9335 0.2986 -0.2957 -0.2809 11 LYS D NZ 4612 N N . VAL D 12 ? 0.6893 1.1599 0.7698 0.1588 -0.2207 -0.2804 12 VAL D N 4613 C CA . VAL D 12 ? 0.6494 1.2015 0.7907 0.1483 -0.2088 -0.3185 12 VAL D CA 4614 C C . VAL D 12 ? 0.6332 1.2178 0.8313 0.1778 -0.2101 -0.3363 12 VAL D C 4615 O O . VAL D 12 ? 0.6659 1.2574 0.8773 0.2193 -0.2458 -0.3363 12 VAL D O 4616 C CB . VAL D 12 ? 0.6748 1.2910 0.8227 0.1481 -0.2383 -0.3352 12 VAL D CB 4617 C CG1 . VAL D 12 ? 0.6383 1.3402 0.8553 0.1281 -0.2230 -0.3755 12 VAL D CG1 4618 C CG2 . VAL D 12 ? 0.6997 1.2875 0.7840 0.1219 -0.2371 -0.3221 12 VAL D CG2 4619 N N . ALA D 13 ? 0.5877 1.1917 0.8171 0.1572 -0.1718 -0.3516 13 ALA D N 4620 C CA . ALA D 13 ? 0.5733 1.2143 0.8500 0.1801 -0.1636 -0.3718 13 ALA D CA 4621 C C . ALA D 13 ? 0.5444 1.2854 0.8842 0.1590 -0.1418 -0.4049 13 ALA D C 4622 O O . ALA D 13 ? 0.5312 1.2904 0.8741 0.1175 -0.1246 -0.4078 13 ALA D O 4623 C CB . ALA D 13 ? 0.5603 1.1383 0.8103 0.1745 -0.1370 -0.3571 13 ALA D CB 4624 N N . VAL D 14 ? 0.5409 1.3468 0.9332 0.1868 -0.1423 -0.4318 14 VAL D N 4625 C CA . VAL D 14 ? 0.5172 1.4314 0.9752 0.1656 -0.1173 -0.4640 14 VAL D CA 4626 C C . VAL D 14 ? 0.4971 1.4088 0.9502 0.1432 -0.0717 -0.4622 14 VAL D C 4627 O O . VAL D 14 ? 0.5047 1.3468 0.9172 0.1601 -0.0682 -0.4471 14 VAL D O 4628 C CB . VAL D 14 ? 0.5322 1.5401 1.0583 0.2123 -0.1431 -0.5007 14 VAL D CB 4629 C CG1 . VAL D 14 ? 0.5203 1.6473 1.1148 0.1854 -0.1370 -0.5307 14 VAL D CG1 4630 C CG2 . VAL D 14 ? 0.5735 1.5345 1.0802 0.2640 -0.1986 -0.4903 14 VAL D CG2 4631 N N . THR D 15 ? 0.4800 1.4679 0.9721 0.1026 -0.0380 -0.4761 15 THR D N 4632 C CA . THR D 15 ? 0.4720 1.4748 0.9587 0.0810 0.0047 -0.4737 15 THR D CA 4633 C C . THR D 15 ? 0.4813 1.5359 0.9946 0.1298 0.0020 -0.5038 15 THR D C 4634 O O . THR D 15 ? 0.4869 1.6272 1.0608 0.1612 -0.0163 -0.5387 15 THR D O 4635 C CB . THR D 15 ? 0.4678 1.5497 0.9942 0.0232 0.0407 -0.4798 15 THR D CB 4636 O OG1 . THR D 15 ? 0.4693 1.5032 0.9814 -0.0175 0.0367 -0.4610 15 THR D OG1 4637 C CG2 . THR D 15 ? 0.4720 1.5524 0.9725 -0.0051 0.0843 -0.4644 15 THR D CG2 4638 N N . GLY D 16 ? 0.4876 1.4908 0.9575 0.1387 0.0173 -0.4939 16 GLY D N 4639 C CA . GLY D 16 ? 0.5053 1.5501 0.9948 0.1843 0.0170 -0.5279 16 GLY D CA 4640 C C . GLY D 16 ? 0.5277 1.5140 1.0155 0.2465 -0.0307 -0.5374 16 GLY D C 4641 O O . GLY D 16 ? 0.5492 1.5747 1.0694 0.2935 -0.0400 -0.5753 16 GLY D O 4642 N N . GLY D 17 ? 0.5292 1.4213 0.9791 0.2462 -0.0607 -0.5036 17 GLY D N 4643 C CA . GLY D 17 ? 0.5637 1.3834 1.0015 0.2967 -0.1079 -0.4998 17 GLY D CA 4644 C C . GLY D 17 ? 0.5785 1.2825 0.9533 0.2972 -0.1098 -0.4730 17 GLY D C 4645 O O . GLY D 17 ? 0.5555 1.2147 0.8855 0.2550 -0.0857 -0.4434 17 GLY D O 4646 N N . LYS D 18 ? 0.6220 1.2773 0.9985 0.3454 -0.1409 -0.4851 18 LYS D N 4647 C CA . LYS D 18 ? 0.6452 1.1934 0.9708 0.3469 -0.1467 -0.4654 18 LYS D CA 4648 C C . LYS D 18 ? 0.6619 1.1106 0.9406 0.3348 -0.1731 -0.4173 18 LYS D C 4649 O O . LYS D 18 ? 0.7003 1.1243 0.9858 0.3623 -0.2127 -0.4081 18 LYS D O 4650 C CB . LYS D 18 ? 0.6940 1.2268 1.0442 0.4006 -0.1689 -0.5032 18 LYS D CB 4651 C CG . LYS D 18 ? 0.7182 1.1555 1.0238 0.3974 -0.1701 -0.4941 18 LYS D CG 4652 N N . VAL D 19 ? 0.6397 1.0367 0.8706 0.2939 -0.1511 -0.3863 19 VAL D N 4653 C CA . VAL D 19 ? 0.6505 0.9697 0.8359 0.2742 -0.1659 -0.3425 19 VAL D CA 4654 C C . VAL D 19 ? 0.6649 0.8993 0.8119 0.2622 -0.1630 -0.3233 19 VAL D C 4655 O O . VAL D 19 ? 0.6381 0.8801 0.7767 0.2430 -0.1346 -0.3298 19 VAL D O 4656 C CB . VAL D 19 ? 0.6076 0.9596 0.7803 0.2322 -0.1431 -0.3252 19 VAL D CB 4657 C CG1 . VAL D 19 ? 0.6189 0.8991 0.7412 0.2078 -0.1475 -0.2858 19 VAL D CG1 4658 C CG2 . VAL D 19 ? 0.6076 1.0306 0.8149 0.2426 -0.1576 -0.3399 19 VAL D CG2 4659 N N . THR D 20 ? 0.7151 0.8704 0.8391 0.2722 -0.1945 -0.2980 20 THR D N 4660 C CA . THR D 20 ? 0.7372 0.8120 0.8287 0.2552 -0.1951 -0.2767 20 THR D CA 4661 C C . THR D 20 ? 0.7393 0.7792 0.7902 0.2206 -0.1928 -0.2324 20 THR D C 4662 O O . THR D 20 ? 0.7678 0.8027 0.8062 0.2254 -0.2138 -0.2125 20 THR D O 4663 C CB . THR D 20 ? 0.8105 0.8130 0.9094 0.2895 -0.2332 -0.2826 20 THR D CB 4664 O OG1 . THR D 20 ? 0.8153 0.8610 0.9567 0.3287 -0.2366 -0.3324 20 THR D OG1 4665 C CG2 . THR D 20 ? 0.8329 0.7592 0.9063 0.2665 -0.2319 -0.2668 20 THR D CG2 4666 N N . LEU D 21 ? 0.7133 0.7368 0.7438 0.1870 -0.1678 -0.2195 21 LEU D N 4667 C CA . LEU D 21 ? 0.7215 0.7145 0.7168 0.1547 -0.1627 -0.1827 21 LEU D CA 4668 C C . LEU D 21 ? 0.7620 0.6835 0.7430 0.1432 -0.1720 -0.1654 21 LEU D C 4669 O O . LEU D 21 ? 0.7412 0.6595 0.7311 0.1343 -0.1576 -0.1787 21 LEU D O 4670 C CB . LEU D 21 ? 0.6617 0.6996 0.6536 0.1253 -0.1272 -0.1841 21 LEU D CB 4671 C CG . LEU D 21 ? 0.6263 0.7325 0.6369 0.1268 -0.1136 -0.2034 21 LEU D CG 4672 C CD1 . LEU D 21 ? 0.5824 0.7107 0.5914 0.0980 -0.0819 -0.2037 21 LEU D CD1 4673 C CD2 . LEU D 21 ? 0.6548 0.7780 0.6560 0.1333 -0.1329 -0.1952 21 LEU D CD2 4674 N N . SER D 22 ? 0.8287 0.6931 0.7870 0.1416 -0.1981 -0.1343 22 SER D N 4675 C CA . SER D 22 ? 0.8812 0.6718 0.8281 0.1242 -0.2094 -0.1137 22 SER D CA 4676 C C . SER D 22 ? 0.8629 0.6605 0.7880 0.0783 -0.1825 -0.0882 22 SER D C 4677 O O . SER D 22 ? 0.8296 0.6769 0.7399 0.0634 -0.1614 -0.0810 22 SER D O 4678 C CB . SER D 22 ? 0.9750 0.6928 0.9059 0.1384 -0.2507 -0.0854 22 SER D CB 4679 N N . CYS D 23 ? 0.8894 0.6416 0.8178 0.0570 -0.1840 -0.0801 23 CYS D N 4680 C CA . CYS D 23 ? 0.8826 0.6438 0.7989 0.0132 -0.1611 -0.0570 23 CYS D CA 4681 C C . CYS D 23 ? 0.9515 0.6399 0.8675 -0.0103 -0.1788 -0.0358 23 CYS D C 4682 O O . CYS D 23 ? 0.9623 0.6170 0.9037 -0.0002 -0.1928 -0.0596 23 CYS D O 4683 C CB . CYS D 23 ? 0.8049 0.6249 0.7444 0.0064 -0.1308 -0.0841 23 CYS D CB 4684 S SG . CYS D 23 ? 0.8031 0.6478 0.7430 -0.0402 -0.1038 -0.0650 23 CYS D SG 4685 N N . ASN D 24 ? 1.0043 0.6707 0.8899 -0.0448 -0.1778 0.0079 24 ASN D N 4686 C CA . ASN D 24 ? 1.0879 0.6787 0.9701 -0.0756 -0.1955 0.0372 24 ASN D CA 4687 C C . ASN D 24 ? 1.0890 0.7135 0.9650 -0.1305 -0.1652 0.0622 24 ASN D C 4688 O O . ASN D 24 ? 1.0816 0.7567 0.9276 -0.1477 -0.1424 0.0829 24 ASN D O 4689 C CB . ASN D 24 ? 1.1875 0.7021 1.0351 -0.0665 -0.2316 0.0765 24 ASN D CB 4690 C CG . ASN D 24 ? 1.2920 0.7084 1.1375 -0.0982 -0.2562 0.1094 24 ASN D CG 4691 O OD1 . ASN D 24 ? 1.3699 0.7506 1.1750 -0.1332 -0.2609 0.1643 24 ASN D OD1 4692 N ND2 . ASN D 24 ? 1.2994 0.6712 1.1858 -0.0885 -0.2723 0.0762 24 ASN D ND2 4693 N N . GLN D 25 ? 1.1021 0.7059 1.0093 -0.1577 -0.1650 0.0556 25 GLN D N 4694 C CA . GLN D 25 ? 1.1082 0.7507 1.0213 -0.2122 -0.1370 0.0762 25 GLN D CA 4695 C C . GLN D 25 ? 1.1933 0.7633 1.1212 -0.2537 -0.1554 0.0980 25 GLN D C 4696 O O . GLN D 25 ? 1.2137 0.7239 1.1691 -0.2382 -0.1838 0.0735 25 GLN D O 4697 C CB . GLN D 25 ? 1.0100 0.7448 0.9615 -0.2093 -0.1063 0.0371 25 GLN D CB 4698 C CG . GLN D 25 ? 0.9680 0.6977 0.9576 -0.1780 -0.1207 -0.0089 25 GLN D CG 4699 C CD . GLN D 25 ? 1.0112 0.7101 1.0363 -0.2072 -0.1341 -0.0167 25 GLN D CD 4700 O OE1 . GLN D 25 ? 1.0407 0.7590 1.0797 -0.2550 -0.1200 0.0035 25 GLN D OE1 4701 N NE2 . GLN D 25 ? 1.0191 0.6769 1.0610 -0.1801 -0.1606 -0.0501 25 GLN D NE2 4702 N N . THR D 26 ? 1.2484 0.8267 1.1574 -0.3089 -0.1381 0.1425 26 THR D N 4703 C CA . THR D 26 ? 1.3397 0.8526 1.2629 -0.3615 -0.1514 0.1708 26 THR D CA 4704 C C . THR D 26 ? 1.3077 0.9083 1.2682 -0.4133 -0.1142 0.1662 26 THR D C 4705 O O . THR D 26 ? 1.3638 0.9854 1.3053 -0.4687 -0.0924 0.2095 26 THR D O 4706 C CB . THR D 26 ? 1.4659 0.8973 1.3317 -0.3908 -0.1687 0.2389 26 THR D CB 4707 O OG1 . THR D 26 ? 1.4567 0.9642 1.2748 -0.4093 -0.1348 0.2699 26 THR D OG1 4708 C CG2 . THR D 26 ? 1.5137 0.8472 1.3563 -0.3369 -0.2154 0.2409 26 THR D CG2 4709 N N . ASN D 27 ? 1.2211 0.8792 1.2347 -0.3940 -0.1072 0.1134 27 ASN D N 4710 C CA . ASN D 27 ? 1.1835 0.9335 1.2462 -0.4330 -0.0773 0.0992 27 ASN D CA 4711 C C . ASN D 27 ? 1.1836 0.9124 1.3042 -0.4403 -0.1003 0.0642 27 ASN D C 4712 O O . ASN D 27 ? 1.1639 0.9633 1.3350 -0.4750 -0.0838 0.0508 27 ASN D O 4713 C CB . ASN D 27 ? 1.0757 0.9385 1.1495 -0.4015 -0.0447 0.0678 27 ASN D CB 4714 C CG . ASN D 27 ? 1.0708 0.9599 1.0886 -0.3911 -0.0236 0.0918 27 ASN D CG 4715 O OD1 . ASN D 27 ? 1.0682 0.9118 1.0471 -0.3502 -0.0410 0.0933 27 ASN D OD1 4716 N ND2 . ASN D 27 ? 1.0721 1.0433 1.0876 -0.4280 0.0141 0.1066 27 ASN D ND2 4717 N N . ASN D 28 ? 1.2090 0.8475 1.3241 -0.4058 -0.1393 0.0454 28 ASN D N 4718 C CA . ASN D 28 ? 1.2229 0.8310 1.3841 -0.4070 -0.1673 0.0058 28 ASN D CA 4719 C C . ASN D 28 ? 1.1216 0.8181 1.3148 -0.3704 -0.1597 -0.0467 28 ASN D C 4720 O O . ASN D 28 ? 1.1199 0.8339 1.3576 -0.3827 -0.1735 -0.0791 28 ASN D O 4721 C CB . ASN D 28 ? 1.2991 0.8918 1.4975 -0.4807 -0.1690 0.0260 28 ASN D CB 4722 C CG . ASN D 28 ? 1.3639 0.8679 1.5925 -0.4869 -0.2121 -0.0028 28 ASN D CG 4723 O OD1 . ASN D 28 ? 1.3910 0.8099 1.5984 -0.4428 -0.2442 -0.0211 28 ASN D OD1 4724 N ND2 . ASN D 28 ? 1.3915 0.9199 1.6739 -0.5420 -0.2133 -0.0113 28 ASN D ND2 4725 N N . HIS D 29 ? 1.0469 0.7957 1.2156 -0.3264 -0.1407 -0.0537 29 HIS D N 4726 C CA . HIS D 29 ? 0.9610 0.7853 1.1515 -0.2903 -0.1342 -0.0944 29 HIS D CA 4727 C C . HIS D 29 ? 0.9565 0.7378 1.1372 -0.2450 -0.1635 -0.1316 29 HIS D C 4728 O O . HIS D 29 ? 0.9859 0.7012 1.1335 -0.2185 -0.1781 -0.1285 29 HIS D O 4729 C CB . HIS D 29 ? 0.8925 0.7836 1.0631 -0.2654 -0.1027 -0.0869 29 HIS D CB 4730 C CG . HIS D 29 ? 0.8837 0.8503 1.0742 -0.3022 -0.0694 -0.0683 29 HIS D CG 4731 N ND1 . HIS D 29 ? 0.8840 0.8734 1.0409 -0.3054 -0.0429 -0.0425 29 HIS D ND1 4732 C CD2 . HIS D 29 ? 0.8819 0.9159 1.1250 -0.3364 -0.0578 -0.0762 29 HIS D CD2 4733 C CE1 . HIS D 29 ? 0.8791 0.9474 1.0646 -0.3394 -0.0138 -0.0369 29 HIS D CE1 4734 N NE2 . HIS D 29 ? 0.8760 0.9746 1.1176 -0.3586 -0.0218 -0.0567 29 HIS D NE2 4735 N N . ASN D 30 ? 0.9248 0.7511 1.1343 -0.2350 -0.1723 -0.1680 30 ASN D N 4736 C CA . ASN D 30 ? 0.9239 0.7278 1.1200 -0.1942 -0.1962 -0.2071 30 ASN D CA 4737 C C . ASN D 30 ? 0.8588 0.7048 1.0256 -0.1471 -0.1808 -0.2141 30 ASN D C 4738 O O . ASN D 30 ? 0.8665 0.6839 1.0069 -0.1119 -0.1922 -0.2339 30 ASN D O 4739 C CB . ASN D 30 ? 0.9324 0.7656 1.1643 -0.2064 -0.2168 -0.2426 30 ASN D CB 4740 C CG . ASN D 30 ? 1.0160 0.7824 1.2734 -0.2462 -0.2433 -0.2497 30 ASN D CG 4741 O OD1 . ASN D 30 ? 1.0726 0.7569 1.3166 -0.2599 -0.2502 -0.2275 30 ASN D OD1 4742 N ND2 . ASN D 30 ? 1.0264 0.8252 1.3216 -0.2653 -0.2617 -0.2804 30 ASN D ND2 4743 N N . ASN D 31 ? 0.8025 0.7174 0.9774 -0.1475 -0.1548 -0.2000 31 ASN D N 4744 C CA . ASN D 31 ? 0.7485 0.7000 0.9007 -0.1093 -0.1408 -0.2043 31 ASN D CA 4745 C C . ASN D 31 ? 0.7344 0.6752 0.8596 -0.1005 -0.1202 -0.1796 31 ASN D C 4746 O O . ASN D 31 ? 0.7431 0.6925 0.8734 -0.1257 -0.1039 -0.1549 31 ASN D O 4747 C CB . ASN D 31 ? 0.7028 0.7296 0.8825 -0.1076 -0.1307 -0.2088 31 ASN D CB 4748 C CG . ASN D 31 ? 0.7163 0.7643 0.9183 -0.1095 -0.1557 -0.2355 31 ASN D CG 4749 O OD1 . ASN D 31 ? 0.7505 0.7602 0.9390 -0.1051 -0.1789 -0.2572 31 ASN D OD1 4750 N ND2 . ASN D 31 ? 0.6912 0.8039 0.9291 -0.1134 -0.1532 -0.2376 31 ASN D ND2 4751 N N . MET D 32 ? 0.7187 0.6485 0.8150 -0.0667 -0.1205 -0.1879 32 MET D N 4752 C CA . MET D 32 ? 0.7007 0.6293 0.7738 -0.0554 -0.1041 -0.1700 32 MET D CA 4753 C C . MET D 32 ? 0.6553 0.6184 0.7160 -0.0259 -0.0933 -0.1815 32 MET D C 4754 O O . MET D 32 ? 0.6542 0.6243 0.7102 -0.0085 -0.1027 -0.2021 32 MET D O 4755 C CB . MET D 32 ? 0.7487 0.6149 0.8017 -0.0494 -0.1199 -0.1629 32 MET D CB 4756 C CG . MET D 32 ? 0.8058 0.6299 0.8618 -0.0845 -0.1267 -0.1361 32 MET D CG 4757 S SD . MET D 32 ? 0.8825 0.6244 0.9114 -0.0723 -0.1507 -0.1191 32 MET D SD 4758 C CE . MET D 32 ? 0.8378 0.6193 0.8376 -0.0619 -0.1288 -0.0965 32 MET D CE 4759 N N . TYR D 33 ? 0.6253 0.6103 0.6785 -0.0234 -0.0735 -0.1681 33 TYR D N 4760 C CA . TYR D 33 ? 0.5847 0.6007 0.6318 -0.0040 -0.0611 -0.1744 33 TYR D CA 4761 C C . TYR D 33 ? 0.5768 0.5896 0.6057 0.0062 -0.0528 -0.1694 33 TYR D C 4762 O O . TYR D 33 ? 0.5972 0.5946 0.6173 -0.0028 -0.0528 -0.1562 33 TYR D O 4763 C CB . TYR D 33 ? 0.5572 0.6116 0.6259 -0.0113 -0.0466 -0.1702 33 TYR D CB 4764 C CG . TYR D 33 ? 0.5616 0.6324 0.6566 -0.0204 -0.0568 -0.1761 33 TYR D CG 4765 C CD1 . TYR D 33 ? 0.5779 0.6497 0.6936 -0.0461 -0.0589 -0.1714 33 TYR D CD1 4766 C CD2 . TYR D 33 ? 0.5559 0.6448 0.6547 -0.0058 -0.0655 -0.1845 33 TYR D CD2 4767 C CE1 . TYR D 33 ? 0.5848 0.6807 0.7324 -0.0565 -0.0698 -0.1802 33 TYR D CE1 4768 C CE2 . TYR D 33 ? 0.5599 0.6704 0.6847 -0.0121 -0.0797 -0.1917 33 TYR D CE2 4769 C CZ . TYR D 33 ? 0.5726 0.6894 0.7257 -0.0373 -0.0818 -0.1921 33 TYR D CZ 4770 O OH . TYR D 33 ? 0.5822 0.7290 0.7687 -0.0458 -0.0971 -0.2025 33 TYR D OH 4771 N N . TRP D 34 ? 0.5533 0.5838 0.5756 0.0227 -0.0468 -0.1785 34 TRP D N 4772 C CA . TRP D 34 ? 0.5395 0.5802 0.5532 0.0296 -0.0378 -0.1774 34 TRP D CA 4773 C C . TRP D 34 ? 0.5105 0.5778 0.5302 0.0289 -0.0212 -0.1775 34 TRP D C 4774 O O . TRP D 34 ? 0.5074 0.5849 0.5248 0.0353 -0.0194 -0.1818 34 TRP D O 4775 C CB . TRP D 34 ? 0.5535 0.5897 0.5594 0.0487 -0.0481 -0.1910 34 TRP D CB 4776 C CG . TRP D 34 ? 0.5859 0.5920 0.5865 0.0544 -0.0648 -0.1871 34 TRP D CG 4777 C CD1 . TRP D 34 ? 0.6249 0.5950 0.6257 0.0649 -0.0859 -0.1954 34 TRP D CD1 4778 C CD2 . TRP D 34 ? 0.5968 0.6015 0.5889 0.0512 -0.0656 -0.1733 34 TRP D CD2 4779 N NE1 . TRP D 34 ? 0.6584 0.5978 0.6526 0.0693 -0.1014 -0.1830 34 TRP D NE1 4780 C CE2 . TRP D 34 ? 0.6421 0.6057 0.6274 0.0607 -0.0894 -0.1677 34 TRP D CE2 4781 C CE3 . TRP D 34 ? 0.5827 0.6151 0.5704 0.0418 -0.0509 -0.1667 34 TRP D CE3 4782 C CZ2 . TRP D 34 ? 0.6712 0.6224 0.6409 0.0610 -0.1002 -0.1497 34 TRP D CZ2 4783 C CZ3 . TRP D 34 ? 0.6040 0.6314 0.5756 0.0411 -0.0598 -0.1546 34 TRP D CZ3 4784 C CH2 . TRP D 34 ? 0.6532 0.6411 0.6135 0.0507 -0.0848 -0.1432 34 TRP D CH2 4785 N N . TYR D 35 ? 0.4992 0.5758 0.5244 0.0198 -0.0098 -0.1728 35 TYR D N 4786 C CA . TYR D 35 ? 0.4814 0.5722 0.5169 0.0190 0.0032 -0.1757 35 TYR D CA 4787 C C . TYR D 35 ? 0.4766 0.5776 0.5069 0.0182 0.0089 -0.1818 35 TYR D C 4788 O O . TYR D 35 ? 0.4835 0.5856 0.5021 0.0197 0.0023 -0.1820 35 TYR D O 4789 C CB . TYR D 35 ? 0.4765 0.5760 0.5298 0.0122 0.0117 -0.1763 35 TYR D CB 4790 C CG . TYR D 35 ? 0.4766 0.5786 0.5454 0.0111 0.0055 -0.1729 35 TYR D CG 4791 C CD1 . TYR D 35 ? 0.4885 0.5920 0.5578 -0.0008 0.0022 -0.1686 35 TYR D CD1 4792 C CD2 . TYR D 35 ? 0.4787 0.5823 0.5627 0.0199 0.0009 -0.1724 35 TYR D CD2 4793 C CE1 . TYR D 35 ? 0.4977 0.6110 0.5886 -0.0059 -0.0040 -0.1685 35 TYR D CE1 4794 C CE2 . TYR D 35 ? 0.4850 0.5996 0.5880 0.0200 -0.0085 -0.1720 35 TYR D CE2 4795 C CZ . TYR D 35 ? 0.4912 0.6142 0.6008 0.0060 -0.0101 -0.1726 35 TYR D CZ 4796 O OH . TYR D 35 ? 0.4973 0.6381 0.6324 0.0020 -0.0200 -0.1751 35 TYR D OH 4797 N N . ARG D 36 ? 0.4705 0.5767 0.5111 0.0153 0.0181 -0.1859 36 ARG D N 4798 C CA . ARG D 36 ? 0.4713 0.5906 0.5144 0.0095 0.0235 -0.1962 36 ARG D CA 4799 C C . ARG D 36 ? 0.4766 0.5901 0.5364 0.0028 0.0330 -0.2047 36 ARG D C 4800 O O . ARG D 36 ? 0.4835 0.5794 0.5557 0.0042 0.0347 -0.1988 36 ARG D O 4801 C CB . ARG D 36 ? 0.4724 0.6066 0.5162 0.0099 0.0233 -0.1987 36 ARG D CB 4802 C CG . ARG D 36 ? 0.4846 0.6164 0.5396 -0.0010 0.0331 -0.1957 36 ARG D CG 4803 C CD . ARG D 36 ? 0.4943 0.6577 0.5529 -0.0057 0.0368 -0.2009 36 ARG D CD 4804 N NE . ARG D 36 ? 0.5092 0.6804 0.5860 -0.0252 0.0454 -0.2068 36 ARG D NE 4805 C CZ . ARG D 36 ? 0.5225 0.7271 0.6112 -0.0381 0.0531 -0.2103 36 ARG D CZ 4806 N NH1 . ARG D 36 ? 0.5168 0.7554 0.5999 -0.0292 0.0549 -0.2115 36 ARG D NH1 4807 N NH2 . ARG D 36 ? 0.5421 0.7494 0.6515 -0.0613 0.0597 -0.2159 36 ARG D NH2 4808 N N . GLN D 37 ? 0.4821 0.6089 0.5410 -0.0025 0.0364 -0.2198 37 GLN D N 4809 C CA . GLN D 37 ? 0.4943 0.6156 0.5711 -0.0064 0.0442 -0.2376 37 GLN D CA 4810 C C . GLN D 37 ? 0.5069 0.6289 0.5938 -0.0177 0.0448 -0.2515 37 GLN D C 4811 O O . GLN D 37 ? 0.5059 0.6530 0.5829 -0.0226 0.0404 -0.2583 37 GLN D O 4812 C CB . GLN D 37 ? 0.5003 0.6432 0.5681 -0.0066 0.0497 -0.2519 37 GLN D CB 4813 C CG . GLN D 37 ? 0.5139 0.6539 0.6063 -0.0031 0.0588 -0.2757 37 GLN D CG 4814 C CD . GLN D 37 ? 0.5209 0.6964 0.6027 -0.0040 0.0693 -0.2914 37 GLN D CD 4815 O OE1 . GLN D 37 ? 0.5287 0.7286 0.5773 -0.0126 0.0690 -0.2883 37 GLN D OE1 4816 N NE2 . GLN D 37 ? 0.5292 0.7116 0.6391 0.0053 0.0782 -0.3078 37 GLN D NE2 4817 N N . ASP D 38 ? 0.5270 0.6199 0.6368 -0.0221 0.0478 -0.2551 38 ASP D N 4818 C CA . ASP D 38 ? 0.5500 0.6353 0.6763 -0.0390 0.0485 -0.2691 38 ASP D CA 4819 C C . ASP D 38 ? 0.5825 0.6339 0.7333 -0.0378 0.0495 -0.2902 38 ASP D C 4820 O O . ASP D 38 ? 0.5940 0.6146 0.7566 -0.0248 0.0480 -0.2806 38 ASP D O 4821 C CB . ASP D 38 ? 0.5568 0.6306 0.6871 -0.0517 0.0496 -0.2450 38 ASP D CB 4822 C CG . ASP D 38 ? 0.5353 0.6496 0.6485 -0.0496 0.0490 -0.2346 38 ASP D CG 4823 O OD1 . ASP D 38 ? 0.5314 0.6819 0.6475 -0.0554 0.0465 -0.2501 38 ASP D OD1 4824 O OD2 . ASP D 38 ? 0.5342 0.6457 0.6331 -0.0400 0.0486 -0.2143 38 ASP D OD2 4825 N N . THR D 39 ? 0.6032 0.6616 0.7643 -0.0488 0.0492 -0.3225 39 THR D N 4826 C CA . THR D 39 ? 0.6427 0.6667 0.8310 -0.0455 0.0485 -0.3529 39 THR D CA 4827 C C . THR D 39 ? 0.6765 0.6352 0.8901 -0.0468 0.0433 -0.3320 39 THR D C 4828 O O . THR D 39 ? 0.6862 0.6260 0.9009 -0.0680 0.0419 -0.3068 39 THR D O 4829 C CB . THR D 39 ? 0.6708 0.7062 0.8684 -0.0630 0.0456 -0.3928 39 THR D CB 4830 O OG1 . THR D 39 ? 0.6630 0.7134 0.8611 -0.0874 0.0425 -0.3792 39 THR D OG1 4831 C CG2 . THR D 39 ? 0.6601 0.7514 0.8314 -0.0545 0.0485 -0.4227 39 THR D CG2 4832 N N . GLY D 40 ? 0.6975 0.6265 0.9308 -0.0238 0.0401 -0.3412 40 GLY D N 4833 C CA . GLY D 40 ? 0.7427 0.6021 0.9999 -0.0183 0.0290 -0.3201 40 GLY D CA 4834 C C . GLY D 40 ? 0.7229 0.5796 0.9667 -0.0030 0.0243 -0.2779 40 GLY D C 4835 O O . GLY D 40 ? 0.7655 0.5675 1.0239 0.0067 0.0111 -0.2561 40 GLY D O 4836 N N . HIS D 41 ? 0.6657 0.5780 0.8813 -0.0003 0.0318 -0.2667 41 HIS D N 4837 C CA . HIS D 41 ? 0.6481 0.5633 0.8474 0.0096 0.0262 -0.2301 41 HIS D CA 4838 C C . HIS D 41 ? 0.6186 0.5679 0.8248 0.0336 0.0257 -0.2386 41 HIS D C 4839 O O . HIS D 41 ? 0.6384 0.5693 0.8631 0.0533 0.0137 -0.2285 41 HIS D O 4840 C CB . HIS D 41 ? 0.6199 0.5637 0.7846 -0.0087 0.0320 -0.2066 41 HIS D CB 4841 C CG . HIS D 41 ? 0.6616 0.5754 0.8190 -0.0317 0.0316 -0.1808 41 HIS D CG 4842 N ND1 . HIS D 41 ? 0.6870 0.5963 0.8550 -0.0572 0.0379 -0.1929 41 HIS D ND1 4843 C CD2 . HIS D 41 ? 0.6913 0.5840 0.8301 -0.0367 0.0266 -0.1425 41 HIS D CD2 4844 C CE1 . HIS D 41 ? 0.7252 0.6121 0.8847 -0.0798 0.0393 -0.1617 41 HIS D CE1 4845 N NE2 . HIS D 41 ? 0.7323 0.6087 0.8697 -0.0676 0.0331 -0.1294 41 HIS D NE2 4846 N N . GLY D 42 ? 0.5783 0.5786 0.7703 0.0304 0.0370 -0.2545 42 GLY D N 4847 C CA . GLY D 42 ? 0.5477 0.5856 0.7400 0.0423 0.0385 -0.2530 42 GLY D CA 4848 C C . GLY D 42 ? 0.5181 0.5661 0.6794 0.0345 0.0343 -0.2235 42 GLY D C 4849 O O . GLY D 42 ? 0.5263 0.5504 0.6734 0.0290 0.0277 -0.2011 42 GLY D O 4850 N N . LEU D 43 ? 0.4921 0.5756 0.6428 0.0325 0.0386 -0.2246 43 LEU D N 4851 C CA . LEU D 43 ? 0.4714 0.5621 0.5935 0.0254 0.0338 -0.2054 43 LEU D CA 4852 C C . LEU D 43 ? 0.4785 0.5508 0.5931 0.0304 0.0213 -0.1838 43 LEU D C 4853 O O . LEU D 43 ? 0.4909 0.5571 0.6229 0.0417 0.0120 -0.1780 43 LEU D O 4854 C CB . LEU D 43 ? 0.4574 0.5771 0.5783 0.0219 0.0365 -0.2071 43 LEU D CB 4855 C CG . LEU D 43 ? 0.4522 0.5935 0.5540 0.0097 0.0466 -0.2148 43 LEU D CG 4856 C CD1 . LEU D 43 ? 0.4703 0.6298 0.5850 0.0105 0.0598 -0.2403 43 LEU D CD1 4857 C CD2 . LEU D 43 ? 0.4408 0.5999 0.5384 0.0003 0.0468 -0.2049 43 LEU D CD2 4858 N N . ARG D 44 ? 0.4766 0.5467 0.5651 0.0234 0.0204 -0.1742 44 ARG D N 4859 C CA . ARG D 44 ? 0.4915 0.5543 0.5626 0.0258 0.0116 -0.1567 44 ARG D CA 4860 C C . ARG D 44 ? 0.4794 0.5580 0.5302 0.0268 0.0065 -0.1583 44 ARG D C 4861 O O . ARG D 44 ? 0.4662 0.5538 0.5107 0.0237 0.0101 -0.1672 44 ARG D O 4862 C CB . ARG D 44 ? 0.5124 0.5627 0.5732 0.0157 0.0175 -0.1465 44 ARG D CB 4863 C CG . ARG D 44 ? 0.5544 0.5707 0.6320 0.0159 0.0146 -0.1365 44 ARG D CG 4864 C CD . ARG D 44 ? 0.6008 0.6010 0.6664 -0.0025 0.0210 -0.1206 44 ARG D CD 4865 N NE . ARG D 44 ? 0.6028 0.6156 0.6793 -0.0174 0.0335 -0.1390 44 ARG D NE 4866 C CZ . ARG D 44 ? 0.6285 0.6458 0.7011 -0.0393 0.0429 -0.1322 44 ARG D CZ 4867 N NH1 . ARG D 44 ? 0.6668 0.6757 0.7189 -0.0514 0.0446 -0.1037 44 ARG D NH1 4868 N NH2 . ARG D 44 ? 0.6188 0.6549 0.7071 -0.0514 0.0505 -0.1536 44 ARG D NH2 4869 N N . LEU D 45 ? 0.4909 0.5704 0.5319 0.0329 -0.0053 -0.1511 45 LEU D N 4870 C CA . LEU D 45 ? 0.4903 0.5784 0.5174 0.0353 -0.0140 -0.1590 45 LEU D CA 4871 C C . LEU D 45 ? 0.5026 0.6010 0.5041 0.0370 -0.0114 -0.1634 45 LEU D C 4872 O O . LEU D 45 ? 0.5235 0.6293 0.5064 0.0359 -0.0091 -0.1540 45 LEU D O 4873 C CB . LEU D 45 ? 0.4989 0.5903 0.5305 0.0402 -0.0304 -0.1575 45 LEU D CB 4874 C CG . LEU D 45 ? 0.5034 0.5965 0.5276 0.0400 -0.0427 -0.1706 45 LEU D CG 4875 C CD1 . LEU D 45 ? 0.4905 0.5749 0.5309 0.0311 -0.0400 -0.1761 45 LEU D CD1 4876 C CD2 . LEU D 45 ? 0.5222 0.6249 0.5510 0.0429 -0.0613 -0.1716 45 LEU D CD2 4877 N N . ILE D 46 ? 0.4970 0.5981 0.4975 0.0402 -0.0124 -0.1773 46 ILE D N 4878 C CA . ILE D 46 ? 0.5081 0.6281 0.4940 0.0471 -0.0100 -0.1898 46 ILE D CA 4879 C C . ILE D 46 ? 0.5278 0.6462 0.5012 0.0578 -0.0248 -0.2053 46 ILE D C 4880 O O . ILE D 46 ? 0.5493 0.6865 0.5017 0.0605 -0.0248 -0.2089 46 ILE D O 4881 C CB . ILE D 46 ? 0.4972 0.6242 0.4945 0.0500 -0.0060 -0.1992 46 ILE D CB 4882 C CG1 . ILE D 46 ? 0.4830 0.6193 0.4909 0.0371 0.0084 -0.1904 46 ILE D CG1 4883 C CG2 . ILE D 46 ? 0.5108 0.6649 0.5034 0.0634 -0.0064 -0.2192 46 ILE D CG2 4884 C CD1 . ILE D 46 ? 0.4694 0.6130 0.4891 0.0379 0.0078 -0.1983 46 ILE D CD1 4885 N N . HIS D 47 ? 0.5310 0.6255 0.5148 0.0617 -0.0383 -0.2142 47 HIS D N 4886 C CA . HIS D 47 ? 0.5577 0.6401 0.5356 0.0696 -0.0561 -0.2328 47 HIS D CA 4887 C C . HIS D 47 ? 0.5615 0.6132 0.5557 0.0577 -0.0690 -0.2256 47 HIS D C 4888 O O . HIS D 47 ? 0.5508 0.5898 0.5576 0.0476 -0.0639 -0.2104 47 HIS D O 4889 C CB . HIS D 47 ? 0.5775 0.6558 0.5561 0.0876 -0.0632 -0.2571 47 HIS D CB 4890 C CG . HIS D 47 ? 0.5779 0.7017 0.5453 0.0994 -0.0497 -0.2731 47 HIS D CG 4891 N ND1 . HIS D 47 ? 0.5937 0.7488 0.5369 0.1008 -0.0451 -0.2837 47 HIS D ND1 4892 C CD2 . HIS D 47 ? 0.5663 0.7174 0.5440 0.1088 -0.0396 -0.2813 47 HIS D CD2 4893 C CE1 . HIS D 47 ? 0.5953 0.7969 0.5331 0.1076 -0.0285 -0.2963 47 HIS D CE1 4894 N NE2 . HIS D 47 ? 0.5746 0.7765 0.5379 0.1129 -0.0252 -0.2967 47 HIS D NE2 4895 N N . TYR D 48 ? 0.5827 0.6287 0.5760 0.0562 -0.0851 -0.2378 48 TYR D N 4896 C CA . TYR D 48 ? 0.5927 0.6160 0.6072 0.0396 -0.0977 -0.2336 48 TYR D CA 4897 C C . TYR D 48 ? 0.6362 0.6351 0.6506 0.0416 -0.1212 -0.2597 48 TYR D C 4898 O O . TYR D 48 ? 0.6558 0.6647 0.6509 0.0589 -0.1274 -0.2849 48 TYR D O 4899 C CB . TYR D 48 ? 0.5725 0.6224 0.6019 0.0287 -0.0942 -0.2197 48 TYR D CB 4900 C CG . TYR D 48 ? 0.5857 0.6605 0.6017 0.0366 -0.1058 -0.2289 48 TYR D CG 4901 C CD1 . TYR D 48 ? 0.5856 0.6817 0.5752 0.0482 -0.0966 -0.2212 48 TYR D CD1 4902 C CD2 . TYR D 48 ? 0.6089 0.6872 0.6369 0.0292 -0.1274 -0.2432 48 TYR D CD2 4903 C CE1 . TYR D 48 ? 0.6103 0.7292 0.5776 0.0542 -0.1092 -0.2236 48 TYR D CE1 4904 C CE2 . TYR D 48 ? 0.6291 0.7349 0.6392 0.0374 -0.1421 -0.2513 48 TYR D CE2 4905 C CZ . TYR D 48 ? 0.6311 0.7564 0.6070 0.0507 -0.1331 -0.2394 48 TYR D CZ 4906 O OH . TYR D 48 ? 0.6613 0.8135 0.6100 0.0576 -0.1494 -0.2417 48 TYR D OH 4907 N N . SER D 49 ? 0.6558 0.6250 0.6922 0.0216 -0.1334 -0.2557 49 SER D N 4908 C CA . SER D 49 ? 0.7083 0.6409 0.7506 0.0190 -0.1588 -0.2814 49 SER D CA 4909 C C . SER D 49 ? 0.7219 0.6553 0.7923 -0.0100 -0.1711 -0.2799 49 SER D C 4910 O O . SER D 49 ? 0.7028 0.6489 0.7942 -0.0324 -0.1592 -0.2541 49 SER D O 4911 C CB . SER D 49 ? 0.7444 0.6180 0.7883 0.0228 -0.1678 -0.2798 49 SER D CB 4912 O OG . SER D 49 ? 0.8058 0.6320 0.8592 0.0208 -0.1953 -0.3068 49 SER D OG 4913 N N . TYR D 50 ? 0.7593 0.6861 0.8322 -0.0101 -0.1948 -0.3117 50 TYR D N 4914 C CA . TYR D 50 ? 0.7799 0.7098 0.8859 -0.0403 -0.2111 -0.3166 50 TYR D CA 4915 C C . TYR D 50 ? 0.8439 0.7035 0.9690 -0.0620 -0.2311 -0.3253 50 TYR D C 4916 O O . TYR D 50 ? 0.8715 0.7278 1.0289 -0.0937 -0.2461 -0.3314 50 TYR D O 4917 C CB . TYR D 50 ? 0.7870 0.7612 0.8860 -0.0315 -0.2287 -0.3460 50 TYR D CB 4918 C CG . TYR D 50 ? 0.7350 0.7741 0.8316 -0.0241 -0.2165 -0.3264 50 TYR D CG 4919 C CD1 . TYR D 50 ? 0.7072 0.7775 0.8448 -0.0447 -0.2098 -0.3048 50 TYR D CD1 4920 C CD2 . TYR D 50 ? 0.7224 0.7920 0.7775 0.0033 -0.2123 -0.3297 50 TYR D CD2 4921 C CE1 . TYR D 50 ? 0.6718 0.7946 0.8130 -0.0321 -0.2032 -0.2896 50 TYR D CE1 4922 C CE2 . TYR D 50 ? 0.6904 0.8057 0.7427 0.0105 -0.2060 -0.3074 50 TYR D CE2 4923 C CZ . TYR D 50 ? 0.6648 0.8028 0.7624 -0.0042 -0.2034 -0.2888 50 TYR D CZ 4924 O OH . TYR D 50 ? 0.6387 0.8155 0.7397 0.0085 -0.2013 -0.2693 50 TYR D OH 4925 N N . GLY D 51 ? 0.8734 0.6761 0.9819 -0.0457 -0.2333 -0.3251 51 GLY D N 4926 C CA . GLY D 51 ? 0.9502 0.6692 1.0740 -0.0627 -0.2559 -0.3277 51 GLY D CA 4927 C C . GLY D 51 ? 0.9920 0.6546 1.0974 -0.0267 -0.2683 -0.3455 51 GLY D C 4928 O O . GLY D 51 ? 0.9533 0.6508 1.0356 0.0087 -0.2542 -0.3530 51 GLY D O 4929 N N . ALA D 52 ? 1.0777 0.6529 1.1980 -0.0365 -0.2962 -0.3530 52 ALA D N 4930 C CA . ALA D 52 ? 1.1357 0.6466 1.2487 0.0010 -0.3152 -0.3724 52 ALA D CA 4931 C C . ALA D 52 ? 1.1450 0.6852 1.2489 0.0439 -0.3239 -0.4365 52 ALA D C 4932 O O . ALA D 52 ? 1.1929 0.7188 1.3074 0.0391 -0.3456 -0.4803 52 ALA D O 4933 C CB . ALA D 52 ? 1.2376 0.6366 1.3714 -0.0221 -0.3477 -0.3632 52 ALA D CB 4934 N N . GLY D 53 ? 1.1053 0.6932 1.1895 0.0831 -0.3057 -0.4434 53 GLY D N 4935 C CA . GLY D 53 ? 1.1128 0.7472 1.1837 0.1227 -0.3056 -0.5015 53 GLY D CA 4936 C C . GLY D 53 ? 1.0444 0.7808 1.0877 0.1212 -0.2770 -0.5014 53 GLY D C 4937 O O . GLY D 53 ? 1.0542 0.8404 1.0779 0.1466 -0.2735 -0.5454 53 GLY D O 4938 N N . SER D 54 ? 0.9850 0.7523 1.0257 0.0919 -0.2571 -0.4521 54 SER D N 4939 C CA . SER D 54 ? 0.9284 0.7794 0.9451 0.0898 -0.2339 -0.4433 54 SER D CA 4940 C C . SER D 54 ? 0.8685 0.7558 0.8745 0.0980 -0.2036 -0.4076 54 SER D C 4941 O O . SER D 54 ? 0.8513 0.7106 0.8709 0.0865 -0.1975 -0.3717 54 SER D O 4942 C CB . SER D 54 ? 0.9126 0.7779 0.9418 0.0541 -0.2379 -0.4225 54 SER D CB 4943 O OG . SER D 54 ? 0.8627 0.7987 0.8710 0.0550 -0.2194 -0.4064 54 SER D OG 4944 N N . THR D 55 ? 0.8454 0.7964 0.8246 0.1149 -0.1852 -0.4179 55 THR D N 4945 C CA . THR D 55 ? 0.7918 0.7820 0.7621 0.1170 -0.1566 -0.3862 55 THR D CA 4946 C C . THR D 55 ? 0.7729 0.8256 0.7129 0.1132 -0.1412 -0.3803 55 THR D C 4947 O O . THR D 55 ? 0.8044 0.8898 0.7187 0.1253 -0.1444 -0.4124 55 THR D O 4948 C CB . THR D 55 ? 0.7975 0.7954 0.7714 0.1450 -0.1491 -0.4034 55 THR D CB 4949 N N . GLU D 56 ? 0.7309 0.7984 0.6719 0.0968 -0.1261 -0.3397 56 GLU D N 4950 C CA . GLU D 56 ? 0.7243 0.8371 0.6373 0.0919 -0.1166 -0.3246 56 GLU D CA 4951 C C . GLU D 56 ? 0.6857 0.8166 0.5962 0.0872 -0.0911 -0.2910 56 GLU D C 4952 O O . GLU D 56 ? 0.6554 0.7638 0.5915 0.0799 -0.0843 -0.2712 56 GLU D O 4953 C CB . GLU D 56 ? 0.7261 0.8347 0.6484 0.0770 -0.1341 -0.3127 56 GLU D CB 4954 C CG . GLU D 56 ? 0.7722 0.8621 0.7038 0.0745 -0.1624 -0.3466 56 GLU D CG 4955 C CD . GLU D 56 ? 0.8287 0.9498 0.7210 0.0885 -0.1731 -0.3839 56 GLU D CD 4956 O OE1 . GLU D 56 ? 0.8366 1.0020 0.6890 0.0954 -0.1590 -0.3748 56 GLU D OE1 4957 O OE2 . GLU D 56 ? 0.8746 0.9754 0.7742 0.0904 -0.1958 -0.4230 56 GLU D OE2 4958 N N . LYS D 57 ? 0.6972 0.8688 0.5743 0.0886 -0.0773 -0.2851 57 LYS D N 4959 C CA . LYS D 57 ? 0.6743 0.8600 0.5487 0.0794 -0.0543 -0.2534 57 LYS D CA 4960 C C . LYS D 57 ? 0.6568 0.8213 0.5443 0.0675 -0.0583 -0.2188 57 LYS D C 4961 O O . LYS D 57 ? 0.6728 0.8356 0.5549 0.0669 -0.0762 -0.2142 57 LYS D O 4962 C CB . LYS D 57 ? 0.7061 0.9395 0.5377 0.0774 -0.0389 -0.2512 57 LYS D CB 4963 C CG . LYS D 57 ? 0.7233 0.9962 0.5470 0.0907 -0.0272 -0.2891 57 LYS D CG 4964 C CD . LYS D 57 ? 0.7513 1.0830 0.5313 0.0812 -0.0048 -0.2811 57 LYS D CD 4965 C CE . LYS D 57 ? 0.7669 1.1540 0.5458 0.0961 0.0103 -0.3253 57 LYS D CE 4966 N N . GLY D 58 ? 0.6285 0.7811 0.5368 0.0602 -0.0433 -0.1992 58 GLY D N 4967 C CA . GLY D 58 ? 0.6182 0.7530 0.5429 0.0530 -0.0447 -0.1720 58 GLY D CA 4968 C C . GLY D 58 ? 0.6399 0.7798 0.5445 0.0453 -0.0332 -0.1449 58 GLY D C 4969 O O . GLY D 58 ? 0.6740 0.8370 0.5404 0.0429 -0.0298 -0.1403 58 GLY D O 4970 N N . ASP D 59 ? 0.6293 0.7466 0.5582 0.0395 -0.0270 -0.1275 59 ASP D N 4971 C CA . ASP D 59 ? 0.6629 0.7685 0.5786 0.0295 -0.0198 -0.0983 59 ASP D CA 4972 C C . ASP D 59 ? 0.6696 0.7928 0.5747 0.0139 0.0034 -0.0976 59 ASP D C 4973 O O . ASP D 59 ? 0.7113 0.8367 0.5900 -0.0005 0.0111 -0.0728 59 ASP D O 4974 C CB . ASP D 59 ? 0.6568 0.7279 0.6084 0.0316 -0.0243 -0.0869 59 ASP D CB 4975 C CG . ASP D 59 ? 0.6666 0.7312 0.6324 0.0471 -0.0478 -0.0834 59 ASP D CG 4976 O OD1 . ASP D 59 ? 0.6865 0.7255 0.6745 0.0537 -0.0559 -0.0692 59 ASP D OD1 4977 O OD2 . ASP D 59 ? 0.6609 0.7471 0.6209 0.0536 -0.0600 -0.0977 59 ASP D OD2 4978 N N . ILE D 60 ? 0.6351 0.7731 0.5615 0.0153 0.0134 -0.1226 60 ILE D N 4979 C CA . ILE D 60 ? 0.6358 0.8040 0.5635 0.0027 0.0337 -0.1289 60 ILE D CA 4980 C C . ILE D 60 ? 0.6144 0.8158 0.5505 0.0166 0.0352 -0.1626 60 ILE D C 4981 O O . ILE D 60 ? 0.5893 0.7920 0.5528 0.0188 0.0372 -0.1757 60 ILE D O 4982 C CB . ILE D 60 ? 0.6246 0.7729 0.5822 -0.0122 0.0429 -0.1216 60 ILE D CB 4983 C CG1 . ILE D 60 ? 0.5890 0.7091 0.5747 -0.0009 0.0323 -0.1327 60 ILE D CG1 4984 C CG2 . ILE D 60 ? 0.6719 0.7926 0.6188 -0.0313 0.0463 -0.0882 60 ILE D CG2 4985 C CD1 . ILE D 60 ? 0.5699 0.6878 0.5828 -0.0110 0.0407 -0.1425 60 ILE D CD1 4986 N N . PRO D 61 ? 0.6334 0.8610 0.5451 0.0280 0.0315 -0.1783 61 PRO D N 4987 C CA . PRO D 61 ? 0.6242 0.8734 0.5481 0.0473 0.0275 -0.2138 61 PRO D CA 4988 C C . PRO D 61 ? 0.6300 0.9364 0.5638 0.0461 0.0469 -0.2314 61 PRO D C 4989 O O . PRO D 61 ? 0.6249 0.9517 0.5756 0.0674 0.0415 -0.2636 61 PRO D O 4990 C CB . PRO D 61 ? 0.6513 0.9048 0.5466 0.0600 0.0145 -0.2288 61 PRO D CB 4991 C CG . PRO D 61 ? 0.6853 0.9542 0.5428 0.0441 0.0226 -0.2027 61 PRO D CG 4992 C CD . PRO D 61 ? 0.6735 0.9110 0.5438 0.0256 0.0279 -0.1661 61 PRO D CD 4993 N N . ASP D 62 ? 0.6446 0.9761 0.5726 0.0209 0.0677 -0.2105 62 ASP D N 4994 C CA . ASP D 62 ? 0.6551 1.0564 0.5947 0.0124 0.0906 -0.2257 62 ASP D CA 4995 C C . ASP D 62 ? 0.6217 1.0408 0.6096 0.0222 0.0883 -0.2481 62 ASP D C 4996 O O . ASP D 62 ? 0.6008 0.9881 0.6095 0.0117 0.0836 -0.2345 62 ASP D O 4997 C CB . ASP D 62 ? 0.6866 1.1033 0.6089 -0.0253 0.1130 -0.1912 62 ASP D CB 4998 C CG . ASP D 62 ? 0.7413 1.1786 0.6083 -0.0337 0.1207 -0.1761 62 ASP D CG 4999 O OD1 . ASP D 62 ? 0.7826 1.2639 0.6314 -0.0633 0.1456 -0.1580 62 ASP D OD1 5000 O OD2 . ASP D 62 ? 0.7505 1.1634 0.5905 -0.0135 0.1018 -0.1815 62 ASP D OD2 5001 N N . GLY D 63 ? 0.6240 1.0971 0.6294 0.0450 0.0897 -0.2854 63 GLY D N 5002 C CA . GLY D 63 ? 0.6014 1.0950 0.6528 0.0627 0.0803 -0.3091 63 GLY D CA 5003 C C . GLY D 63 ? 0.5916 1.0243 0.6481 0.0928 0.0487 -0.3174 63 GLY D C 5004 O O . GLY D 63 ? 0.5822 1.0182 0.6694 0.1097 0.0340 -0.3301 63 GLY D O 5005 N N . TYR D 64 ? 0.6006 0.9793 0.6267 0.0975 0.0368 -0.3083 65 TYR D N 5006 C CA . TYR D 64 ? 0.6006 0.9172 0.6293 0.1174 0.0086 -0.3108 65 TYR D CA 5007 C C . TYR D 64 ? 0.6319 0.9334 0.6461 0.1391 -0.0049 -0.3353 65 TYR D C 5008 O O . TYR D 64 ? 0.6480 0.9667 0.6346 0.1319 0.0048 -0.3379 65 TYR D O 5009 C CB . TYR D 64 ? 0.5851 0.8445 0.6006 0.0971 0.0040 -0.2767 65 TYR D CB 5010 C CG . TYR D 64 ? 0.5583 0.8225 0.5867 0.0762 0.0146 -0.2575 65 TYR D CG 5011 C CD1 . TYR D 64 ? 0.5442 0.8011 0.5910 0.0822 0.0032 -0.2591 65 TYR D CD1 5012 C CD2 . TYR D 64 ? 0.5550 0.8264 0.5747 0.0504 0.0330 -0.2377 65 TYR D CD2 5013 C CE1 . TYR D 64 ? 0.5261 0.7901 0.5833 0.0629 0.0113 -0.2485 65 TYR D CE1 5014 C CE2 . TYR D 64 ? 0.5435 0.8124 0.5783 0.0312 0.0404 -0.2259 65 TYR D CE2 5015 C CZ . TYR D 64 ? 0.5282 0.7967 0.5822 0.0375 0.0302 -0.2347 65 TYR D CZ 5016 O OH . TYR D 64 ? 0.5185 0.7872 0.5861 0.0183 0.0361 -0.2295 65 TYR D OH 5017 N N . LYS D 65 ? 0.6489 0.9145 0.6798 0.1651 -0.0303 -0.3526 66 LYS D N 5018 C CA . LYS D 65 ? 0.6865 0.9179 0.7092 0.1847 -0.0501 -0.3777 66 LYS D CA 5019 C C . LYS D 65 ? 0.6970 0.8456 0.7221 0.1828 -0.0768 -0.3585 66 LYS D C 5020 O O . LYS D 65 ? 0.6882 0.8149 0.7250 0.1803 -0.0841 -0.3373 66 LYS D O 5021 C CB . LYS D 65 ? 0.7174 0.9853 0.7638 0.2219 -0.0569 -0.4260 66 LYS D CB 5022 C CG . LYS D 65 ? 0.7220 1.0801 0.7605 0.2224 -0.0282 -0.4529 66 LYS D CG 5023 N N . ALA D 66 ? 0.7229 0.8298 0.7351 0.1805 -0.0912 -0.3655 67 ALA D N 5024 C CA . ALA D 66 ? 0.7412 0.7728 0.7568 0.1713 -0.1142 -0.3461 67 ALA D CA 5025 C C . ALA D 66 ? 0.8019 0.7838 0.8281 0.1940 -0.1437 -0.3782 67 ALA D C 5026 O O . ALA D 66 ? 0.8277 0.8361 0.8540 0.2157 -0.1452 -0.4209 67 ALA D O 5027 C CB . ALA D 66 ? 0.7218 0.7425 0.7220 0.1403 -0.1075 -0.3211 67 ALA D CB 5028 N N . SER D 67 ? 0.8316 0.7405 0.8656 0.1876 -0.1669 -0.3579 68 SER D N 5029 C CA . SER D 67 ? 0.9015 0.7416 0.9474 0.2025 -0.1994 -0.3820 68 SER D CA 5030 C C . SER D 67 ? 0.9270 0.6934 0.9707 0.1696 -0.2147 -0.3444 68 SER D C 5031 O O . SER D 67 ? 0.9084 0.6665 0.9453 0.1505 -0.2080 -0.3013 68 SER D O 5032 C CB . SER D 67 ? 0.9429 0.7657 1.0112 0.2444 -0.2201 -0.4038 68 SER D CB 5033 N N . ARG D 68 ? 0.9730 0.6917 1.0223 0.1603 -0.2341 -0.3629 69 ARG D N 5034 C CA . ARG D 68 ? 1.0103 0.6580 1.0635 0.1252 -0.2499 -0.3298 69 ARG D CA 5035 C C . ARG D 68 ? 1.1032 0.6603 1.1737 0.1382 -0.2888 -0.3543 69 ARG D C 5036 O O . ARG D 68 ? 1.1355 0.6765 1.2148 0.1330 -0.3016 -0.3897 69 ARG D O 5037 C CB . ARG D 68 ? 0.9748 0.6541 1.0252 0.0865 -0.2347 -0.3196 69 ARG D CB 5038 C CG . ARG D 68 ? 1.0103 0.6361 1.0698 0.0431 -0.2436 -0.2831 69 ARG D CG 5039 C CD . ARG D 68 ? 0.9485 0.6323 1.0077 0.0091 -0.2168 -0.2561 69 ARG D CD 5040 N NE . ARG D 68 ? 0.9859 0.6319 1.0569 -0.0351 -0.2208 -0.2224 69 ARG D NE 5041 C CZ . ARG D 68 ? 0.9537 0.6457 1.0368 -0.0692 -0.2021 -0.2045 69 ARG D CZ 5042 N NH1 . ARG D 68 ? 0.8873 0.6548 0.9722 -0.0605 -0.1826 -0.2155 69 ARG D NH1 5043 N NH2 . ARG D 68 ? 0.9941 0.6576 1.0896 -0.1125 -0.2034 -0.1749 69 ARG D NH2 5044 N N . PRO D 69 ? 1.1552 0.6504 1.2307 0.1566 -0.3111 -0.3367 70 PRO D N 5045 C CA . PRO D 69 ? 1.2607 0.6543 1.3555 0.1748 -0.3536 -0.3568 70 PRO D CA 5046 C C . PRO D 69 ? 1.3231 0.6318 1.4213 0.1254 -0.3713 -0.3277 70 PRO D C 5047 O O . PRO D 69 ? 1.3998 0.6390 1.5180 0.1278 -0.4010 -0.3616 70 PRO D O 5048 C CB . PRO D 69 ? 1.2937 0.6548 1.3884 0.2059 -0.3710 -0.3313 70 PRO D CB 5049 C CG . PRO D 69 ? 1.1967 0.6615 1.2761 0.2110 -0.3352 -0.3163 70 PRO D CG 5050 C CD . PRO D 69 ? 1.1250 0.6438 1.1880 0.1648 -0.3007 -0.2983 70 PRO D CD 5051 N N . SER D 70 ? 1.2936 0.6123 1.3747 0.0794 -0.3523 -0.2686 71 SER D N 5052 C CA . SER D 70 ? 1.3459 0.6046 1.4319 0.0230 -0.3607 -0.2354 71 SER D CA 5053 C C . SER D 70 ? 1.2616 0.6049 1.3404 -0.0211 -0.3218 -0.2092 71 SER D C 5054 O O . SER D 70 ? 1.1697 0.6023 1.2364 -0.0062 -0.2920 -0.2121 71 SER D O 5055 C CB . SER D 70 ? 1.4377 0.5993 1.5106 0.0093 -0.3849 -0.1797 71 SER D CB 5056 N N . GLN D 71 ? 1.2968 0.6116 1.3879 -0.0755 -0.3234 -0.1857 72 GLN D N 5057 C CA . GLN D 71 ? 1.2296 0.6228 1.3225 -0.1186 -0.2889 -0.1599 72 GLN D CA 5058 C C . GLN D 71 ? 1.1914 0.6214 1.2533 -0.1216 -0.2629 -0.1123 72 GLN D C 5059 O O . GLN D 71 ? 1.1046 0.6247 1.1629 -0.1232 -0.2302 -0.1107 72 GLN D O 5060 C CB . GLN D 71 ? 1.2956 0.6462 1.4127 -0.1796 -0.2980 -0.1406 72 GLN D CB 5061 C CG . GLN D 71 ? 1.2424 0.6787 1.3710 -0.2268 -0.2627 -0.1149 72 GLN D CG 5062 C CD . GLN D 71 ? 1.1897 0.6978 1.3539 -0.2329 -0.2577 -0.1575 72 GLN D CD 5063 O OE1 . GLN D 71 ? 1.1623 0.6887 1.3269 -0.1926 -0.2684 -0.2041 72 GLN D OE1 5064 N NE2 . GLN D 71 ? 1.1803 0.7365 1.3740 -0.2837 -0.2415 -0.1413 72 GLN D NE2 5065 N N . GLU D 72 ? 1.2629 0.6194 1.3018 -0.1199 -0.2812 -0.0757 73 GLU D N 5066 C CA . GLU D 72 ? 1.2506 0.6319 1.2530 -0.1263 -0.2633 -0.0282 73 GLU D CA 5067 C C . GLU D 72 ? 1.1656 0.6185 1.1539 -0.0796 -0.2469 -0.0470 73 GLU D C 5068 O O . GLU D 72 ? 1.1080 0.6318 1.0802 -0.0917 -0.2160 -0.0299 73 GLU D O 5069 C CB . GLU D 72 ? 1.3665 0.6426 1.3435 -0.1337 -0.2953 0.0175 73 GLU D CB 5070 N N . ASN D 73 ? 1.1612 0.5992 1.1592 -0.0283 -0.2668 -0.0855 74 ASN D N 5071 C CA . ASN D 73 ? 1.0935 0.5944 1.0824 0.0132 -0.2547 -0.1018 74 ASN D CA 5072 C C . ASN D 73 ? 1.0062 0.5841 1.0130 0.0346 -0.2339 -0.1494 74 ASN D C 5073 O O . ASN D 73 ? 1.0105 0.5817 1.0365 0.0359 -0.2404 -0.1828 74 ASN D O 5074 C CB . ASN D 73 ? 1.1536 0.6002 1.1400 0.0574 -0.2893 -0.1056 74 ASN D CB 5075 C CG . ASN D 73 ? 1.2121 0.6196 1.1645 0.0458 -0.3023 -0.0495 74 ASN D CG 5076 O OD1 . ASN D 73 ? 1.3022 0.6277 1.2419 0.0176 -0.3229 -0.0116 74 ASN D OD1 5077 N ND2 . ASN D 73 ? 1.1691 0.6356 1.1044 0.0649 -0.2916 -0.0427 74 ASN D ND2 5078 N N . PHE D 74 ? 0.9359 0.5849 0.9334 0.0493 -0.2106 -0.1510 75 PHE D N 5079 C CA . PHE D 74 ? 0.8625 0.5831 0.8703 0.0667 -0.1896 -0.1865 75 PHE D CA 5080 C C . PHE D 74 ? 0.8178 0.5913 0.8188 0.0897 -0.1765 -0.1881 75 PHE D C 5081 O O . PHE D 74 ? 0.7858 0.5913 0.7740 0.0731 -0.1581 -0.1641 75 PHE D O 5082 C CB . PHE D 74 ? 0.8153 0.5781 0.8269 0.0345 -0.1653 -0.1807 75 PHE D CB 5083 C CG . PHE D 74 ? 0.7582 0.5838 0.7742 0.0488 -0.1477 -0.2085 75 PHE D CG 5084 C CD1 . PHE D 74 ? 0.7696 0.5989 0.7899 0.0741 -0.1581 -0.2465 75 PHE D CD1 5085 C CD2 . PHE D 74 ? 0.7023 0.5819 0.7165 0.0359 -0.1213 -0.1964 75 PHE D CD2 5086 C CE1 . PHE D 74 ? 0.7265 0.6147 0.7418 0.0824 -0.1412 -0.2649 75 PHE D CE1 5087 C CE2 . PHE D 74 ? 0.6581 0.5852 0.6725 0.0463 -0.1082 -0.2139 75 PHE D CE2 5088 C CZ . PHE D 74 ? 0.6725 0.6048 0.6838 0.0674 -0.1175 -0.2447 75 PHE D CZ 5089 N N . SER D 75 ? 0.8204 0.6078 0.8336 0.1272 -0.1859 -0.2210 76 SER D N 5090 C CA . SER D 75 ? 0.7904 0.6281 0.8060 0.1493 -0.1787 -0.2259 76 SER D CA 5091 C C . SER D 75 ? 0.7295 0.6444 0.7523 0.1537 -0.1504 -0.2512 76 SER D C 5092 O O . SER D 75 ? 0.7259 0.6538 0.7526 0.1584 -0.1454 -0.2775 76 SER D O 5093 C CB . SER D 75 ? 0.8439 0.6525 0.8751 0.1897 -0.2101 -0.2433 76 SER D CB 5094 N N . LEU D 76 ? 0.6903 0.6546 0.7120 0.1496 -0.1333 -0.2418 77 LEU D N 5095 C CA . LEU D 76 ? 0.6427 0.6761 0.6721 0.1501 -0.1076 -0.2596 77 LEU D CA 5096 C C . LEU D 76 ? 0.6482 0.7252 0.6997 0.1787 -0.1127 -0.2830 77 LEU D C 5097 O O . LEU D 76 ? 0.6491 0.7363 0.7056 0.1823 -0.1203 -0.2719 77 LEU D O 5098 C CB . LEU D 76 ? 0.5993 0.6562 0.6192 0.1214 -0.0847 -0.2363 77 LEU D CB 5099 C CG . LEU D 76 ? 0.5599 0.6735 0.5855 0.1135 -0.0589 -0.2456 77 LEU D CG 5100 C CD1 . LEU D 76 ? 0.5618 0.6802 0.5792 0.1109 -0.0507 -0.2551 77 LEU D CD1 5101 C CD2 . LEU D 76 ? 0.5279 0.6504 0.5495 0.0892 -0.0430 -0.2259 77 LEU D CD2 5102 N N . ILE D 77 ? 0.6571 0.7677 0.7226 0.1992 -0.1089 -0.3181 78 ILE D N 5103 C CA . ILE D 77 ? 0.6676 0.8314 0.7639 0.2302 -0.1133 -0.3484 78 ILE D CA 5104 C C . ILE D 77 ? 0.6295 0.8805 0.7352 0.2162 -0.0798 -0.3592 78 ILE D C 5105 O O . ILE D 77 ? 0.6215 0.8966 0.7121 0.2023 -0.0579 -0.3658 78 ILE D O 5106 C CB . ILE D 77 ? 0.7151 0.8660 0.8282 0.2683 -0.1328 -0.3892 78 ILE D CB 5107 C CG1 . ILE D 77 ? 0.7665 0.8165 0.8682 0.2734 -0.1656 -0.3758 78 ILE D CG1 5108 C CG2 . ILE D 77 ? 0.7307 0.9348 0.8855 0.3072 -0.1439 -0.4209 78 ILE D CG2 5109 C CD1 . ILE D 77 ? 0.8164 0.8391 0.9291 0.3021 -0.1828 -0.4187 78 ILE D CD1 5110 N N . LEU D 78 ? 0.6148 0.9122 0.7439 0.2173 -0.0779 -0.3589 79 LEU D N 5111 C CA . LEU D 78 ? 0.5874 0.9688 0.7336 0.1999 -0.0478 -0.3689 79 LEU D CA 5112 C C . LEU D 78 ? 0.6053 1.0598 0.7959 0.2338 -0.0521 -0.4108 79 LEU D C 5113 O O . LEU D 78 ? 0.6132 1.0859 0.8344 0.2533 -0.0728 -0.4172 79 LEU D O 5114 C CB . LEU D 78 ? 0.5595 0.9481 0.7075 0.1724 -0.0425 -0.3438 79 LEU D CB 5115 C CG . LEU D 78 ? 0.5427 0.8779 0.6572 0.1388 -0.0339 -0.3085 79 LEU D CG 5116 C CD1 . LEU D 78 ? 0.5583 0.8157 0.6472 0.1459 -0.0563 -0.2893 79 LEU D CD1 5117 C CD2 . LEU D 78 ? 0.5185 0.8793 0.6442 0.1162 -0.0274 -0.2996 79 LEU D CD2 5118 N N . GLU D 79 ? 0.6178 1.1196 0.8120 0.2428 -0.0340 -0.4416 80 GLU D N 5119 C CA . GLU D 79 ? 0.6348 1.2202 0.8765 0.2778 -0.0338 -0.4901 80 GLU D CA 5120 C C . GLU D 79 ? 0.6075 1.2820 0.8894 0.2617 -0.0181 -0.4924 80 GLU D C 5121 O O . GLU D 79 ? 0.6124 1.3058 0.9345 0.2873 -0.0432 -0.5036 80 GLU D O 5122 C CB . GLU D 79 ? 0.6548 1.2903 0.8850 0.2819 -0.0085 -0.5234 80 GLU D CB 5123 C CG . GLU D 79 ? 0.6893 1.2457 0.8813 0.2952 -0.0242 -0.5290 80 GLU D CG 5124 C CD . GLU D 79 ? 0.7388 1.2571 0.9597 0.3497 -0.0618 -0.5685 80 GLU D CD 5125 O OE1 . GLU D 79 ? 0.7514 1.2732 1.0148 0.3788 -0.0859 -0.5761 80 GLU D OE1 5126 O OE2 . GLU D 79 ? 0.7723 1.2528 0.9734 0.3642 -0.0705 -0.5923 80 GLU D OE2 5127 N N . LEU D 80 ? 0.5872 1.3134 0.8582 0.2177 0.0205 -0.4799 81 LEU D N 5128 C CA . LEU D 80 ? 0.5667 1.3713 0.8750 0.1897 0.0381 -0.4782 81 LEU D CA 5129 C C . LEU D 80 ? 0.5461 1.2877 0.8248 0.1474 0.0399 -0.4320 81 LEU D C 5130 O O . LEU D 80 ? 0.5472 1.2357 0.7795 0.1206 0.0543 -0.4030 81 LEU D O 5131 C CB . LEU D 80 ? 0.5734 1.4815 0.8932 0.1645 0.0817 -0.4956 81 LEU D CB 5132 C CG . LEU D 80 ? 0.5954 1.5952 0.9508 0.2037 0.0892 -0.5514 81 LEU D CG 5133 N N . ALA D 81 ? 0.5344 1.2842 0.8410 0.1445 0.0227 -0.4285 82 ALA D N 5134 C CA . ALA D 81 ? 0.5195 1.2115 0.8017 0.1102 0.0206 -0.3939 82 ALA D CA 5135 C C . ALA D 81 ? 0.5116 1.2534 0.8117 0.0603 0.0505 -0.3872 82 ALA D C 5136 O O . ALA D 81 ? 0.5137 1.3504 0.8605 0.0524 0.0646 -0.4111 82 ALA D O 5137 C CB . ALA D 81 ? 0.5219 1.1911 0.8140 0.1316 -0.0160 -0.3936 82 ALA D CB 5138 N N . THR D 82 ? 0.5105 1.1876 0.7774 0.0263 0.0592 -0.3557 83 THR D N 5139 C CA . THR D 82 ? 0.5189 1.2183 0.8002 -0.0236 0.0827 -0.3447 83 THR D CA 5140 C C . THR D 82 ? 0.5143 1.1698 0.7968 -0.0371 0.0652 -0.3380 83 THR D C 5141 O O . THR D 82 ? 0.5096 1.1003 0.7616 -0.0160 0.0444 -0.3288 83 THR D O 5142 C CB . THR D 82 ? 0.5370 1.1904 0.7770 -0.0526 0.1072 -0.3129 83 THR D CB 5143 O OG1 . THR D 82 ? 0.5460 1.1825 0.7521 -0.0239 0.1067 -0.3123 83 THR D OG1 5144 C CG2 . THR D 82 ? 0.5610 1.2769 0.8219 -0.0982 0.1395 -0.3078 83 THR D CG2 5145 N N . PRO D 83 ? 0.5221 1.2156 0.8397 -0.0749 0.0744 -0.3448 84 PRO D N 5146 C CA . PRO D 83 ? 0.5270 1.1743 0.8412 -0.0926 0.0608 -0.3425 84 PRO D CA 5147 C C . PRO D 83 ? 0.5363 1.0852 0.8051 -0.1028 0.0665 -0.3138 84 PRO D C 5148 O O . PRO D 83 ? 0.5380 1.0385 0.7899 -0.0973 0.0510 -0.3144 84 PRO D O 5149 C CB . PRO D 83 ? 0.5437 1.2469 0.9063 -0.1394 0.0756 -0.3543 84 PRO D CB 5150 C CG . PRO D 83 ? 0.5384 1.3454 0.9421 -0.1325 0.0863 -0.3738 84 PRO D CG 5151 C CD . PRO D 83 ? 0.5315 1.3223 0.8992 -0.1020 0.0956 -0.3614 84 PRO D CD 5152 N N . SER D 84 ? 0.5483 1.0749 0.7975 -0.1159 0.0877 -0.2903 85 SER D N 5153 C CA . SER D 84 ? 0.5603 1.0000 0.7719 -0.1212 0.0903 -0.2627 85 SER D CA 5154 C C . SER D 84 ? 0.5397 0.9352 0.7174 -0.0823 0.0731 -0.2590 85 SER D C 5155 O O . SER D 84 ? 0.5459 0.8771 0.7013 -0.0815 0.0697 -0.2445 85 SER D O 5156 C CB . SER D 84 ? 0.5874 1.0227 0.7814 -0.1417 0.1128 -0.2358 85 SER D CB 5157 O OG . SER D 84 ? 0.5778 1.0527 0.7560 -0.1156 0.1167 -0.2401 85 SER D OG 5158 N N . GLN D 85 ? 0.5218 0.9521 0.6999 -0.0507 0.0616 -0.2731 86 GLN D N 5159 C CA . GLN D 85 ? 0.5107 0.8978 0.6592 -0.0188 0.0443 -0.2678 86 GLN D CA 5160 C C . GLN D 85 ? 0.5073 0.8766 0.6518 -0.0101 0.0244 -0.2744 86 GLN D C 5161 O O . GLN D 85 ? 0.5051 0.8459 0.6269 0.0126 0.0088 -0.2687 86 GLN D O 5162 C CB . GLN D 85 ? 0.5093 0.9271 0.6583 0.0114 0.0379 -0.2791 86 GLN D CB 5163 C CG . GLN D 85 ? 0.5177 0.9472 0.6540 0.0066 0.0571 -0.2728 86 GLN D CG 5164 C CD . GLN D 85 ? 0.5221 0.9857 0.6623 0.0394 0.0504 -0.2944 86 GLN D CD 5165 O OE1 . GLN D 85 ? 0.5206 1.0232 0.6896 0.0618 0.0366 -0.3175 86 GLN D OE1 5166 N NE2 . GLN D 85 ? 0.5376 0.9871 0.6500 0.0447 0.0575 -0.2897 86 GLN D NE2 5167 N N . THR D 86 ? 0.5136 0.9008 0.6779 -0.0316 0.0250 -0.2862 87 THR D N 5168 C CA . THR D 86 ? 0.5173 0.8917 0.6709 -0.0293 0.0092 -0.2946 87 THR D CA 5169 C C . THR D 86 ? 0.5220 0.8343 0.6497 -0.0352 0.0164 -0.2817 87 THR D C 5170 O O . THR D 86 ? 0.5322 0.8203 0.6703 -0.0567 0.0297 -0.2806 87 THR D O 5171 C CB . THR D 86 ? 0.5271 0.9436 0.7126 -0.0526 0.0069 -0.3182 87 THR D CB 5172 O OG1 . THR D 86 ? 0.5216 1.0084 0.7378 -0.0428 -0.0029 -0.3334 87 THR D OG1 5173 C CG2 . THR D 86 ? 0.5423 0.9467 0.7083 -0.0521 -0.0082 -0.3306 87 THR D CG2 5174 N N . SER D 87 ? 0.5202 0.8073 0.6176 -0.0161 0.0066 -0.2717 88 SER D N 5175 C CA . SER D 87 ? 0.5225 0.7643 0.6008 -0.0182 0.0140 -0.2619 88 SER D CA 5176 C C . SER D 87 ? 0.5290 0.7627 0.5760 -0.0050 0.0023 -0.2546 88 SER D C 5177 O O . SER D 87 ? 0.5375 0.7888 0.5737 0.0076 -0.0147 -0.2521 88 SER D O 5178 C CB . SER D 87 ? 0.5144 0.7276 0.5922 -0.0157 0.0242 -0.2436 88 SER D CB 5179 O OG . SER D 87 ? 0.5199 0.6974 0.5934 -0.0190 0.0312 -0.2384 88 SER D OG 5180 N N . VAL D 88 ? 0.5322 0.7409 0.5662 -0.0085 0.0109 -0.2502 89 VAL D N 5181 C CA . VAL D 88 ? 0.5445 0.7460 0.5478 -0.0030 0.0052 -0.2371 89 VAL D CA 5182 C C . VAL D 88 ? 0.5352 0.7079 0.5386 0.0031 0.0076 -0.2177 89 VAL D C 5183 O O . VAL D 88 ? 0.5208 0.6793 0.5400 0.0001 0.0192 -0.2180 89 VAL D O 5184 C CB . VAL D 88 ? 0.5605 0.7700 0.5511 -0.0130 0.0156 -0.2498 89 VAL D CB 5185 C CG1 . VAL D 88 ? 0.5815 0.7942 0.5338 -0.0139 0.0110 -0.2320 89 VAL D CG1 5186 C CG2 . VAL D 88 ? 0.5739 0.8101 0.5690 -0.0210 0.0134 -0.2780 89 VAL D CG2 5187 N N . TYR D 89 ? 0.5487 0.7104 0.5359 0.0126 -0.0070 -0.2018 90 TYR D N 5188 C CA . TYR D 89 ? 0.5469 0.6811 0.5364 0.0179 -0.0092 -0.1886 90 TYR D CA 5189 C C . TYR D 89 ? 0.5690 0.6859 0.5402 0.0085 -0.0094 -0.1718 90 TYR D C 5190 O O . TYR D 89 ? 0.6021 0.7162 0.5473 0.0049 -0.0190 -0.1592 90 TYR D O 5191 C CB . TYR D 89 ? 0.5534 0.6821 0.5458 0.0357 -0.0261 -0.1884 90 TYR D CB 5192 C CG . TYR D 89 ? 0.5350 0.6925 0.5501 0.0410 -0.0204 -0.2052 90 TYR D CG 5193 C CD1 . TYR D 89 ? 0.5346 0.7267 0.5596 0.0433 -0.0253 -0.2178 90 TYR D CD1 5194 C CD2 . TYR D 89 ? 0.5181 0.6741 0.5437 0.0408 -0.0101 -0.2074 90 TYR D CD2 5195 C CE1 . TYR D 89 ? 0.5179 0.7447 0.5683 0.0419 -0.0168 -0.2326 90 TYR D CE1 5196 C CE2 . TYR D 89 ? 0.5069 0.6943 0.5488 0.0394 -0.0011 -0.2184 90 TYR D CE2 5197 C CZ . TYR D 89 ? 0.5062 0.7301 0.5632 0.0382 -0.0029 -0.2312 90 TYR D CZ 5198 O OH . TYR D 89 ? 0.5020 0.7651 0.5799 0.0310 0.0088 -0.2417 90 TYR D OH 5199 N N . PHE D 90 ? 0.5576 0.6663 0.5425 0.0026 0.0004 -0.1698 91 PHE D N 5200 C CA . PHE D 90 ? 0.5748 0.6763 0.5522 -0.0112 0.0031 -0.1554 91 PHE D CA 5201 C C . PHE D 90 ? 0.5809 0.6535 0.5666 -0.0092 -0.0087 -0.1467 91 PHE D C 5202 O O . PHE D 90 ? 0.5599 0.6296 0.5626 0.0009 -0.0105 -0.1564 91 PHE D O 5203 C CB . PHE D 90 ? 0.5611 0.6893 0.5565 -0.0203 0.0234 -0.1662 91 PHE D CB 5204 C CG . PHE D 90 ? 0.5653 0.7220 0.5517 -0.0239 0.0353 -0.1811 91 PHE D CG 5205 C CD1 . PHE D 90 ? 0.5477 0.7107 0.5533 -0.0154 0.0408 -0.2027 91 PHE D CD1 5206 C CD2 . PHE D 90 ? 0.5946 0.7705 0.5505 -0.0381 0.0404 -0.1736 91 PHE D CD2 5207 C CE1 . PHE D 90 ? 0.5554 0.7422 0.5551 -0.0191 0.0496 -0.2235 91 PHE D CE1 5208 C CE2 . PHE D 90 ? 0.6086 0.8166 0.5518 -0.0409 0.0507 -0.1935 91 PHE D CE2 5209 C CZ . PHE D 90 ? 0.5850 0.7978 0.5528 -0.0303 0.0545 -0.2219 91 PHE D CZ 5210 N N . CYS D 91 ? 0.6183 0.6681 0.5887 -0.0213 -0.0182 -0.1279 92 CYS D N 5211 C CA . CYS D 91 ? 0.6348 0.6531 0.6152 -0.0257 -0.0308 -0.1219 92 CYS D CA 5212 C C . CYS D 91 ? 0.6380 0.6755 0.6343 -0.0505 -0.0169 -0.1161 92 CYS D C 5213 O O . CYS D 91 ? 0.6418 0.7118 0.6326 -0.0653 0.0011 -0.1116 92 CYS D O 5214 C CB . CYS D 91 ? 0.6861 0.6573 0.6444 -0.0258 -0.0536 -0.1034 92 CYS D CB 5215 S SG . CYS D 91 ? 0.7221 0.6413 0.6949 -0.0313 -0.0745 -0.1020 92 CYS D SG 5216 N N . ALA D 92 ? 0.6397 0.6656 0.6581 -0.0546 -0.0253 -0.1204 93 ALA D N 5217 C CA . ALA D 92 ? 0.6419 0.6946 0.6860 -0.0787 -0.0149 -0.1179 93 ALA D CA 5218 C C . ALA D 92 ? 0.6724 0.6922 0.7301 -0.0915 -0.0342 -0.1156 93 ALA D C 5219 O O . ALA D 92 ? 0.6769 0.6622 0.7304 -0.0734 -0.0541 -0.1266 93 ALA D O 5220 C CB . ALA D 92 ? 0.5972 0.6960 0.6718 -0.0666 -0.0020 -0.1375 93 ALA D CB 5221 N N . SER D 93 ? 0.6991 0.7340 0.7749 -0.1246 -0.0275 -0.1046 94 SER D N 5222 C CA . SER D 93 ? 0.7334 0.7433 0.8318 -0.1435 -0.0456 -0.1062 94 SER D CA 5223 C C . SER D 93 ? 0.7219 0.7942 0.8659 -0.1674 -0.0319 -0.1131 94 SER D C 5224 O O . SER D 93 ? 0.6912 0.8233 0.8487 -0.1659 -0.0080 -0.1173 94 SER D O 5225 C CB . SER D 93 ? 0.8038 0.7492 0.8792 -0.1684 -0.0596 -0.0792 94 SER D CB 5226 O OG . SER D 93 ? 0.8372 0.8066 0.9176 -0.2124 -0.0417 -0.0542 94 SER D OG 5227 N N . GLY D 94 ? 0.7516 0.8128 0.9241 -0.1879 -0.0487 -0.1190 95 GLY D N 5228 C CA . GLY D 94 ? 0.7493 0.8769 0.9746 -0.2128 -0.0396 -0.1281 95 GLY D CA 5229 C C . GLY D 94 ? 0.7176 0.8776 0.9761 -0.1880 -0.0562 -0.1580 95 GLY D C 5230 O O . GLY D 94 ? 0.6958 0.8343 0.9307 -0.1508 -0.0684 -0.1696 95 GLY D O 5231 N N . ASP D 95 ? 0.7205 0.9381 1.0336 -0.2105 -0.0568 -0.1689 96 ASP D N 5232 C CA . ASP D 95 ? 0.6991 0.9547 1.0466 -0.1894 -0.0780 -0.1954 96 ASP D CA 5233 C C . ASP D 95 ? 0.6537 0.9796 1.0295 -0.1611 -0.0635 -0.2049 96 ASP D C 5234 O O . ASP D 95 ? 0.6294 0.9384 0.9750 -0.1245 -0.0613 -0.2043 96 ASP D O 5235 C CB . ASP D 95 ? 0.7312 1.0131 1.1298 -0.2276 -0.0938 -0.2066 96 ASP D CB 5236 C CG . ASP D 95 ? 0.7902 0.9896 1.1655 -0.2534 -0.1149 -0.2024 96 ASP D CG 5237 O OD1 . ASP D 95 ? 0.8215 0.9637 1.1621 -0.2701 -0.1037 -0.1767 96 ASP D OD1 5238 O OD2 . ASP D 95 ? 0.8095 0.9998 1.2014 -0.2556 -0.1454 -0.2262 96 ASP D OD2 5239 N N . GLU D 102 ? 0.6279 1.1185 1.0793 -0.1664 0.0112 -0.2135 103 GLU D N 5240 C CA . GLU D 102 ? 0.6272 1.1131 1.0419 -0.1651 0.0415 -0.2047 103 GLU D CA 5241 C C . GLU D 102 ? 0.6445 1.0400 0.9849 -0.1708 0.0359 -0.1790 103 GLU D C 5242 O O . GLU D 102 ? 0.6819 1.0382 1.0040 -0.2040 0.0283 -0.1597 103 GLU D O 5243 C CB . GLU D 102 ? 0.6476 1.2101 1.0912 -0.2044 0.0761 -0.2045 103 GLU D CB 5244 C CG . GLU D 102 ? 0.6604 1.2295 1.0608 -0.2047 0.1078 -0.1990 103 GLU D CG 5245 C CD . GLU D 102 ? 0.7091 1.3385 1.1114 -0.2561 0.1420 -0.1865 103 GLU D CD 5246 O OE1 . GLU D 102 ? 0.7410 1.3796 1.1644 -0.3003 0.1394 -0.1705 103 GLU D OE1 5247 O OE2 . GLU D 102 ? 0.7202 1.3885 1.1002 -0.2551 0.1720 -0.1928 103 GLU D OE2 5248 N N . GLN D 103 ? 0.6216 0.9842 0.9244 -0.1382 0.0377 -0.1801 106 GLN D N 5249 C CA . GLN D 103 ? 0.6330 0.9226 0.8727 -0.1373 0.0318 -0.1604 106 GLN D CA 5250 C C . GLN D 103 ? 0.6541 0.9541 0.8607 -0.1574 0.0575 -0.1459 106 GLN D C 5251 O O . GLN D 103 ? 0.6479 1.0107 0.8728 -0.1586 0.0830 -0.1592 106 GLN D O 5252 C CB . GLN D 103 ? 0.6050 0.8597 0.8227 -0.0966 0.0198 -0.1688 106 GLN D CB 5253 C CG . GLN D 103 ? 0.5983 0.8323 0.8259 -0.0784 -0.0076 -0.1763 106 GLN D CG 5254 C CD . GLN D 103 ? 0.5870 0.7853 0.7830 -0.0469 -0.0157 -0.1776 106 GLN D CD 5255 O OE1 . GLN D 103 ? 0.5876 0.7578 0.7485 -0.0431 -0.0080 -0.1706 106 GLN D OE1 5256 N NE2 . GLN D 103 ? 0.5790 0.7822 0.7869 -0.0263 -0.0323 -0.1849 106 GLN D NE2 5257 N N . PHE D 104 ? 0.6835 0.9238 0.8408 -0.1707 0.0488 -0.1204 107 PHE D N 5258 C CA . PHE D 104 ? 0.7115 0.9538 0.8241 -0.1884 0.0664 -0.1008 107 PHE D CA 5259 C C . PHE D 104 ? 0.7045 0.8939 0.7695 -0.1613 0.0528 -0.0958 107 PHE D C 5260 O O . PHE D 104 ? 0.7141 0.8416 0.7644 -0.1508 0.0273 -0.0873 107 PHE D O 5261 C CB . PHE D 104 ? 0.7749 0.9978 0.8721 -0.2352 0.0663 -0.0672 107 PHE D CB 5262 C CG . PHE D 104 ? 0.7878 1.0845 0.9301 -0.2719 0.0895 -0.0703 107 PHE D CG 5263 C CD1 . PHE D 104 ? 0.8171 1.1783 0.9452 -0.2998 0.1235 -0.0619 107 PHE D CD1 5264 C CD2 . PHE D 104 ? 0.7766 1.0874 0.9763 -0.2799 0.0776 -0.0842 107 PHE D CD2 5265 C CE1 . PHE D 104 ? 0.8295 1.2733 1.0050 -0.3359 0.1489 -0.0677 107 PHE D CE1 5266 C CE2 . PHE D 104 ? 0.7860 1.1768 1.0368 -0.3153 0.0987 -0.0899 107 PHE D CE2 5267 C CZ . PHE D 104 ? 0.8109 1.2706 1.0522 -0.3437 0.1362 -0.0817 107 PHE D CZ 5268 N N . PHE D 105 ? 0.6891 0.9088 0.7343 -0.1500 0.0695 -0.1056 108 PHE D N 5269 C CA . PHE D 105 ? 0.6716 0.8592 0.6863 -0.1221 0.0582 -0.1104 108 PHE D CA 5270 C C . PHE D 105 ? 0.7176 0.8846 0.6758 -0.1328 0.0539 -0.0859 108 PHE D C 5271 O O . PHE D 105 ? 0.7525 0.9547 0.6860 -0.1572 0.0720 -0.0745 108 PHE D O 5272 C CB . PHE D 105 ? 0.6335 0.8608 0.6681 -0.0994 0.0730 -0.1427 108 PHE D CB 5273 C CG . PHE D 105 ? 0.5887 0.8211 0.6716 -0.0797 0.0681 -0.1622 108 PHE D CG 5274 C CD1 . PHE D 105 ? 0.5788 0.8546 0.7062 -0.0879 0.0775 -0.1717 108 PHE D CD1 5275 C CD2 . PHE D 105 ? 0.5565 0.7557 0.6403 -0.0540 0.0534 -0.1695 108 PHE D CD2 5276 C CE1 . PHE D 105 ? 0.5493 0.8295 0.7187 -0.0666 0.0671 -0.1868 108 PHE D CE1 5277 C CE2 . PHE D 105 ? 0.5341 0.7350 0.6530 -0.0371 0.0462 -0.1808 108 PHE D CE2 5278 C CZ . PHE D 105 ? 0.5282 0.7670 0.6887 -0.0412 0.0506 -0.1888 108 PHE D CZ 5279 N N . GLY D 106 ? 0.7202 0.8363 0.6581 -0.1129 0.0292 -0.0791 109 GLY D N 5280 C CA . GLY D 106 ? 0.7678 0.8588 0.6554 -0.1147 0.0155 -0.0554 109 GLY D CA 5281 C C . GLY D 106 ? 0.7594 0.8907 0.6246 -0.1044 0.0256 -0.0719 109 GLY D C 5282 O O . GLY D 106 ? 0.7163 0.8846 0.6088 -0.0932 0.0420 -0.1040 109 GLY D O 5283 N N . PRO D 107 ? 0.8090 0.9296 0.6245 -0.1070 0.0120 -0.0504 110 PRO D N 5284 C CA . PRO D 107 ? 0.8174 0.9838 0.6028 -0.1045 0.0207 -0.0652 110 PRO D CA 5285 C C . PRO D 107 ? 0.7688 0.9443 0.5792 -0.0754 0.0142 -0.1007 110 PRO D C 5286 O O . PRO D 107 ? 0.7632 0.9813 0.5679 -0.0743 0.0268 -0.1273 110 PRO D O 5287 C CB . PRO D 107 ? 0.8930 1.0344 0.6175 -0.1123 -0.0024 -0.0258 110 PRO D CB 5288 C CG . PRO D 107 ? 0.9291 1.0059 0.6551 -0.1227 -0.0200 0.0114 110 PRO D CG 5289 C CD . PRO D 107 ? 0.8659 0.9250 0.6528 -0.1073 -0.0186 -0.0135 110 PRO D CD 5290 N N . GLY D 108 ? 0.7414 0.8797 0.5795 -0.0546 -0.0042 -0.1027 111 GLY D N 5291 C CA . GLY D 108 ? 0.6994 0.8483 0.5642 -0.0330 -0.0083 -0.1320 111 GLY D CA 5292 C C . GLY D 108 ? 0.7178 0.8577 0.5690 -0.0152 -0.0360 -0.1273 111 GLY D C 5293 O O . GLY D 108 ? 0.7716 0.9059 0.5824 -0.0179 -0.0530 -0.1048 111 GLY D O 5294 N N . THR D 109 ? 0.6797 0.8223 0.5654 0.0026 -0.0411 -0.1477 112 THR D N 5295 C CA . THR D 109 ? 0.6889 0.8394 0.5771 0.0224 -0.0654 -0.1523 112 THR D CA 5296 C C . THR D 109 ? 0.6538 0.8453 0.5710 0.0238 -0.0563 -0.1846 112 THR D C 5297 O O . THR D 109 ? 0.6160 0.8080 0.5659 0.0227 -0.0408 -0.1988 112 THR D O 5298 C CB . THR D 109 ? 0.6898 0.8069 0.5973 0.0433 -0.0832 -0.1460 112 THR D CB 5299 O OG1 . THR D 109 ? 0.7389 0.8081 0.6200 0.0396 -0.0971 -0.1152 112 THR D OG1 5300 C CG2 . THR D 109 ? 0.6937 0.8332 0.6164 0.0682 -0.1067 -0.1586 112 THR D CG2 5301 N N . ARG D 110 ? 0.6746 0.8995 0.5776 0.0238 -0.0681 -0.1943 113 ARG D N 5302 C CA . ARG D 110 ? 0.6525 0.9172 0.5849 0.0204 -0.0633 -0.2261 113 ARG D CA 5303 C C . ARG D 110 ? 0.6427 0.9275 0.6052 0.0400 -0.0831 -0.2327 113 ARG D C 5304 O O . ARG D 110 ? 0.6755 0.9692 0.6235 0.0570 -0.1115 -0.2235 113 ARG D O 5305 C CB . ARG D 110 ? 0.6863 0.9844 0.5894 0.0092 -0.0678 -0.2396 113 ARG D CB 5306 C CG . ARG D 110 ? 0.6815 1.0015 0.6101 -0.0071 -0.0492 -0.2757 113 ARG D CG 5307 C CD . ARG D 110 ? 0.7385 1.0927 0.6324 -0.0173 -0.0541 -0.2950 113 ARG D CD 5308 N NE . ARG D 110 ? 0.7469 1.1154 0.6698 -0.0319 -0.0403 -0.3361 113 ARG D NE 5309 C CZ . ARG D 110 ? 0.7527 1.1463 0.7111 -0.0381 -0.0499 -0.3626 113 ARG D CZ 5310 N NH1 . ARG D 110 ? 0.7476 1.1668 0.7209 -0.0281 -0.0719 -0.3550 113 ARG D NH1 5311 N NH2 . ARG D 110 ? 0.7614 1.1550 0.7458 -0.0546 -0.0381 -0.3989 113 ARG D NH2 5312 N N . LEU D 111 ? 0.6031 0.8973 0.6073 0.0385 -0.0685 -0.2475 114 LEU D N 5313 C CA . LEU D 111 ? 0.5908 0.9179 0.6308 0.0555 -0.0800 -0.2593 114 LEU D CA 5314 C C . LEU D 111 ? 0.5692 0.9459 0.6492 0.0377 -0.0677 -0.2864 114 LEU D C 5315 O O . LEU D 111 ? 0.5513 0.9162 0.6444 0.0170 -0.0430 -0.2899 114 LEU D O 5316 C CB . LEU D 111 ? 0.5757 0.8766 0.6270 0.0687 -0.0731 -0.2512 114 LEU D CB 5317 C CG . LEU D 111 ? 0.5668 0.9108 0.6593 0.0849 -0.0748 -0.2702 114 LEU D CG 5318 C CD1 . LEU D 111 ? 0.5953 0.9641 0.6989 0.1165 -0.1083 -0.2767 114 LEU D CD1 5319 C CD2 . LEU D 111 ? 0.5487 0.8682 0.6433 0.0915 -0.0615 -0.2668 114 LEU D CD2 5320 N N . THR D 112 ? 0.5768 1.0074 0.6775 0.0449 -0.0876 -0.3037 115 THR D N 5321 C CA . THR D 112 ? 0.5603 1.0470 0.7079 0.0250 -0.0785 -0.3309 115 THR D CA 5322 C C . THR D 112 ? 0.5485 1.0888 0.7413 0.0430 -0.0834 -0.3425 115 THR D C 5323 O O . THR D 112 ? 0.5665 1.1277 0.7629 0.0756 -0.1118 -0.3437 115 THR D O 5324 C CB . THR D 112 ? 0.5829 1.1084 0.7296 0.0144 -0.0971 -0.3514 115 THR D CB 5325 O OG1 . THR D 112 ? 0.5993 1.0830 0.7007 0.0017 -0.0918 -0.3461 115 THR D OG1 5326 C CG2 . THR D 112 ? 0.5739 1.1508 0.7739 -0.0152 -0.0856 -0.3807 115 THR D CG2 5327 N N . VAL D 113 ? 0.5250 1.0883 0.7518 0.0226 -0.0561 -0.3505 116 VAL D N 5328 C CA . VAL D 113 ? 0.5126 1.1452 0.7872 0.0342 -0.0529 -0.3678 116 VAL D CA 5329 C C . VAL D 113 ? 0.5075 1.2133 0.8337 0.0006 -0.0424 -0.3917 116 VAL D C 5330 O O . VAL D 113 ? 0.5072 1.1932 0.8349 -0.0397 -0.0192 -0.3875 116 VAL D O 5331 C CB . VAL D 113 ? 0.5012 1.1144 0.7698 0.0369 -0.0277 -0.3570 116 VAL D CB 5332 C CG1 . VAL D 113 ? 0.4986 1.1956 0.8155 0.0517 -0.0222 -0.3812 116 VAL D CG1 5333 C CG2 . VAL D 113 ? 0.5081 1.0474 0.7306 0.0649 -0.0396 -0.3362 116 VAL D CG2 5334 N N . LEU D 114 ? 0.5077 1.2966 0.8800 0.0176 -0.0618 -0.4171 117 LEU D N 5335 C CA . LEU D 114 ? 0.5077 1.3783 0.9367 -0.0149 -0.0579 -0.4441 117 LEU D CA 5336 C C . LEU D 114 ? 0.4970 1.4637 0.9892 -0.0176 -0.0391 -0.4644 117 LEU D C 5337 O O . LEU D 114 ? 0.4929 1.4805 0.9919 0.0216 -0.0419 -0.4685 117 LEU D O 5338 C CB . LEU D 114 ? 0.5247 1.4327 0.9626 0.0017 -0.0993 -0.4626 117 LEU D CB 5339 C CG . LEU D 114 ? 0.5430 1.3787 0.9186 -0.0004 -0.1169 -0.4490 117 LEU D CG 5340 C CD1 . LEU D 114 ? 0.5690 1.4441 0.9396 0.0296 -0.1635 -0.4601 117 LEU D CD1 5341 C CD2 . LEU D 114 ? 0.5466 1.3610 0.9235 -0.0517 -0.0969 -0.4582 117 LEU D CD2 5342 N N . GLU D 115 ? 0.4984 1.5253 1.0387 -0.0658 -0.0194 -0.4795 118 GLU D N 5343 C CA . GLU D 115 ? 0.4934 1.6307 1.0999 -0.0786 0.0033 -0.5010 118 GLU D CA 5344 C C . GLU D 115 ? 0.4909 1.7337 1.1576 -0.0385 -0.0291 -0.5381 118 GLU D C 5345 O O . GLU D 115 ? 0.4855 1.7960 1.1864 -0.0055 -0.0244 -0.5556 118 GLU D O 5346 C CB . GLU D 115 ? 0.5072 1.6728 1.1479 -0.1496 0.0331 -0.5019 118 GLU D CB 5347 N N . ASP D 116 ? 0.5001 1.7587 1.1797 -0.0389 -0.0642 -0.5528 119 ASP D N 5348 C CA . ASP D 116 ? 0.5051 1.8525 1.2339 0.0051 -0.1062 -0.5836 119 ASP D CA 5349 C C . ASP D 116 ? 0.5245 1.8045 1.1972 0.0353 -0.1538 -0.5712 119 ASP D C 5350 O O . ASP D 116 ? 0.5324 1.7369 1.1530 0.0053 -0.1516 -0.5549 119 ASP D O 5351 C CB . ASP D 116 ? 0.5073 1.9839 1.3252 -0.0329 -0.1037 -0.6215 119 ASP D CB 5352 N N . LEU D 117 ? 0.6852 1.5448 0.8395 0.0758 0.0648 -0.3982 120 LEU D N 5353 C CA . LEU D 117 ? 0.6481 1.4680 0.8395 0.0962 0.0417 -0.3903 120 LEU D CA 5354 C C . LEU D 117 ? 0.6290 1.4687 0.8557 0.0904 0.0425 -0.3844 120 LEU D C 5355 O O . LEU D 117 ? 0.6041 1.4180 0.8611 0.1085 0.0241 -0.3776 120 LEU D O 5356 C CB . LEU D 117 ? 0.6417 1.4608 0.8708 0.1271 0.0329 -0.4222 120 LEU D CB 5357 C CG . LEU D 117 ? 0.6586 1.4638 0.8632 0.1313 0.0315 -0.4396 120 LEU D CG 5358 C CD1 . LEU D 117 ? 0.6707 1.4724 0.9130 0.1571 0.0333 -0.4774 120 LEU D CD1 5359 C CD2 . LEU D 117 ? 0.6464 1.3993 0.8219 0.1277 0.0135 -0.4147 120 LEU D CD2 5360 N N . LYS D 118 ? 0.6464 1.5357 0.8663 0.0625 0.0652 -0.3888 121 LYS D N 5361 C CA . LYS D 118 ? 0.6328 1.5634 0.8878 0.0495 0.0694 -0.3915 121 LYS D CA 5362 C C . LYS D 118 ? 0.6215 1.4946 0.8608 0.0361 0.0579 -0.3578 121 LYS D C 5363 O O . LYS D 118 ? 0.6009 1.5018 0.8787 0.0371 0.0503 -0.3611 121 LYS D O 5364 C CB . LYS D 118 ? 0.6637 1.6590 0.9063 0.0107 0.1023 -0.4064 121 LYS D CB 5365 C CG . LYS D 118 ? 0.6651 1.7509 0.9510 0.0256 0.1137 -0.4496 121 LYS D CG 5366 N N . ASN D 119 ? 0.6393 1.4378 0.8217 0.0267 0.0564 -0.3270 122 ASN D N 5367 C CA . ASN D 119 ? 0.6374 1.3746 0.7975 0.0142 0.0491 -0.2952 122 ASN D CA 5368 C C . ASN D 119 ? 0.6051 1.2911 0.7802 0.0453 0.0188 -0.2824 122 ASN D C 5369 O O . ASN D 119 ? 0.6046 1.2347 0.7566 0.0383 0.0119 -0.2555 122 ASN D O 5370 C CB . ASN D 119 ? 0.6909 1.3722 0.7722 -0.0127 0.0697 -0.2666 122 ASN D CB 5371 C CG . ASN D 119 ? 0.7402 1.4578 0.7944 -0.0512 0.1059 -0.2772 122 ASN D CG 5372 O OD1 . ASN D 119 ? 0.7842 1.4965 0.7903 -0.0556 0.1221 -0.2743 122 ASN D OD1 5373 N ND2 . ASN D 119 ? 0.7405 1.5001 0.8234 -0.0816 0.1199 -0.2915 122 ASN D ND2 5374 N N . VAL D 120 ? 0.5854 1.2865 0.7957 0.0771 0.0044 -0.3033 123 VAL D N 5375 C CA . VAL D 120 ? 0.5649 1.2147 0.7849 0.1017 -0.0188 -0.2959 123 VAL D CA 5376 C C . VAL D 120 ? 0.5413 1.1872 0.8006 0.1149 -0.0334 -0.2932 123 VAL D C 5377 O O . VAL D 120 ? 0.5376 1.2294 0.8373 0.1333 -0.0343 -0.3140 123 VAL D O 5378 C CB . VAL D 120 ? 0.5716 1.2248 0.8015 0.1246 -0.0222 -0.3217 123 VAL D CB 5379 C CG1 . VAL D 120 ? 0.5601 1.1579 0.7993 0.1429 -0.0406 -0.3187 123 VAL D CG1 5380 C CG2 . VAL D 120 ? 0.5966 1.2574 0.7825 0.1128 -0.0119 -0.3228 123 VAL D CG2 5381 N N . PHE D 121 ? 0.5309 1.1248 0.7754 0.1088 -0.0449 -0.2675 124 PHE D N 5382 C CA . PHE D 121 ? 0.5131 1.0993 0.7847 0.1180 -0.0593 -0.2602 124 PHE D CA 5383 C C . PHE D 121 ? 0.5055 1.0230 0.7686 0.1314 -0.0765 -0.2452 124 PHE D C 5384 O O . PHE D 121 ? 0.5071 0.9852 0.7384 0.1215 -0.0767 -0.2318 124 PHE D O 5385 C CB . PHE D 121 ? 0.5123 1.1100 0.7728 0.0860 -0.0513 -0.2457 124 PHE D CB 5386 C CG . PHE D 121 ? 0.5199 1.1972 0.8002 0.0686 -0.0346 -0.2658 124 PHE D CG 5387 C CD1 . PHE D 121 ? 0.5101 1.2538 0.8387 0.0849 -0.0433 -0.2836 124 PHE D CD1 5388 C CD2 . PHE D 121 ? 0.5484 1.2378 0.7959 0.0362 -0.0089 -0.2672 124 PHE D CD2 5389 C CE1 . PHE D 121 ? 0.5173 1.3527 0.8697 0.0670 -0.0274 -0.3076 124 PHE D CE1 5390 C CE2 . PHE D 121 ? 0.5633 1.3312 0.8288 0.0126 0.0107 -0.2897 124 PHE D CE2 5391 C CZ . PHE D 121 ? 0.5437 1.3917 0.8660 0.0268 0.0010 -0.3123 124 PHE D CZ 5392 N N . PRO D 122 ? 0.5026 1.0080 0.7910 0.1555 -0.0900 -0.2474 125 PRO D N 5393 C CA . PRO D 122 ? 0.5026 0.9416 0.7802 0.1622 -0.1030 -0.2326 125 PRO D CA 5394 C C . PRO D 122 ? 0.4905 0.9126 0.7553 0.1415 -0.1085 -0.2080 125 PRO D C 5395 O O . PRO D 122 ? 0.4877 0.9500 0.7564 0.1241 -0.1023 -0.2055 125 PRO D O 5396 C CB . PRO D 122 ? 0.5192 0.9506 0.8198 0.1972 -0.1111 -0.2418 125 PRO D CB 5397 C CG . PRO D 122 ? 0.5147 1.0234 0.8436 0.2059 -0.1094 -0.2519 125 PRO D CG 5398 C CD . PRO D 122 ? 0.5085 1.0639 0.8333 0.1813 -0.0927 -0.2639 125 PRO D CD 5399 N N . PRO D 123 ? 0.4882 0.8528 0.7371 0.1398 -0.1171 -0.1932 126 PRO D N 5400 C CA . PRO D 123 ? 0.4793 0.8237 0.7147 0.1217 -0.1209 -0.1720 126 PRO D CA 5401 C C . PRO D 123 ? 0.4797 0.8319 0.7328 0.1309 -0.1324 -0.1673 126 PRO D C 5402 O O . PRO D 123 ? 0.4927 0.8363 0.7592 0.1588 -0.1410 -0.1731 126 PRO D O 5403 C CB . PRO D 123 ? 0.4786 0.7685 0.6935 0.1199 -0.1252 -0.1630 126 PRO D CB 5404 C CG . PRO D 123 ? 0.4887 0.7632 0.7138 0.1384 -0.1276 -0.1800 126 PRO D CG 5405 C CD . PRO D 123 ? 0.4974 0.8165 0.7378 0.1490 -0.1199 -0.1994 126 PRO D CD 5406 N N . GLU D 124 ? 0.4759 0.8420 0.7234 0.1082 -0.1307 -0.1573 127 GLU D N 5407 C CA . GLU D 124 ? 0.4759 0.8513 0.7330 0.1119 -0.1432 -0.1509 127 GLU D CA 5408 C C . GLU D 124 ? 0.4752 0.7828 0.7080 0.1041 -0.1484 -0.1326 127 GLU D C 5409 O O . GLU D 124 ? 0.4741 0.7531 0.6839 0.0817 -0.1388 -0.1239 127 GLU D O 5410 C CB . GLU D 124 ? 0.4727 0.9060 0.7361 0.0832 -0.1354 -0.1564 127 GLU D CB 5411 C CG . GLU D 124 ? 0.4775 0.9863 0.7626 0.0791 -0.1240 -0.1779 127 GLU D CG 5412 C CD . GLU D 124 ? 0.4792 1.0725 0.8024 0.1014 -0.1363 -0.1940 127 GLU D CD 5413 O OE1 . GLU D 124 ? 0.4784 1.0935 0.8064 0.0994 -0.1481 -0.1902 127 GLU D OE1 5414 O OE2 . GLU D 124 ? 0.4841 1.1286 0.8317 0.1232 -0.1343 -0.2118 127 GLU D OE2 5415 N N . VAL D 125 ? 0.4837 0.7627 0.7173 0.1248 -0.1616 -0.1265 128 VAL D N 5416 C CA . VAL D 125 ? 0.4853 0.7024 0.6966 0.1162 -0.1645 -0.1123 128 VAL D CA 5417 C C . VAL D 125 ? 0.4900 0.7077 0.6955 0.1116 -0.1743 -0.1009 128 VAL D C 5418 O O . VAL D 125 ? 0.5031 0.7472 0.7182 0.1338 -0.1858 -0.1011 128 VAL D O 5419 C CB . VAL D 125 ? 0.5030 0.6682 0.7072 0.1340 -0.1653 -0.1151 128 VAL D CB 5420 C CG1 . VAL D 125 ? 0.5066 0.6202 0.6899 0.1179 -0.1643 -0.1054 128 VAL D CG1 5421 C CG2 . VAL D 125 ? 0.4999 0.6753 0.7105 0.1369 -0.1560 -0.1311 128 VAL D CG2 5422 N N . ALA D 126 ? 0.4840 0.6748 0.6712 0.0857 -0.1696 -0.0916 129 ALA D N 5423 C CA . ALA D 126 ? 0.4896 0.6774 0.6665 0.0753 -0.1767 -0.0825 129 ALA D CA 5424 C C . ALA D 126 ? 0.4925 0.6194 0.6458 0.0623 -0.1729 -0.0720 129 ALA D C 5425 O O . ALA D 126 ? 0.4868 0.5921 0.6308 0.0501 -0.1615 -0.0719 129 ALA D O 5426 C CB . ALA D 126 ? 0.4837 0.7209 0.6644 0.0480 -0.1700 -0.0893 129 ALA D CB 5427 N N . VAL D 127 ? 0.5064 0.6089 0.6477 0.0681 -0.1821 -0.0631 130 VAL D N 5428 C CA . VAL D 127 ? 0.5080 0.5630 0.6279 0.0523 -0.1777 -0.0554 130 VAL D CA 5429 C C . VAL D 127 ? 0.5060 0.5766 0.6156 0.0295 -0.1773 -0.0525 130 VAL D C 5430 O O . VAL D 127 ? 0.5147 0.6269 0.6289 0.0320 -0.1871 -0.0534 130 VAL D O 5431 C CB . VAL D 127 ? 0.5365 0.5459 0.6406 0.0662 -0.1830 -0.0481 130 VAL D CB 5432 C CG1 . VAL D 127 ? 0.5427 0.5141 0.6255 0.0457 -0.1775 -0.0424 130 VAL D CG1 5433 C CG2 . VAL D 127 ? 0.5454 0.5298 0.6548 0.0796 -0.1774 -0.0563 130 VAL D CG2 5434 N N . PHE D 128 ? 0.4999 0.5416 0.5947 0.0089 -0.1652 -0.0513 131 PHE D N 5435 C CA . PHE D 128 ? 0.5093 0.5534 0.5887 -0.0162 -0.1602 -0.0515 131 PHE D CA 5436 C C . PHE D 128 ? 0.5216 0.5251 0.5813 -0.0217 -0.1603 -0.0449 131 PHE D C 5437 O O . PHE D 128 ? 0.5214 0.4906 0.5757 -0.0201 -0.1519 -0.0441 131 PHE D O 5438 C CB . PHE D 128 ? 0.5121 0.5477 0.5819 -0.0364 -0.1404 -0.0568 131 PHE D CB 5439 C CG . PHE D 128 ? 0.5025 0.5807 0.5857 -0.0414 -0.1359 -0.0655 131 PHE D CG 5440 C CD1 . PHE D 128 ? 0.4835 0.5711 0.5810 -0.0218 -0.1366 -0.0661 131 PHE D CD1 5441 C CD2 . PHE D 128 ? 0.5138 0.6287 0.5950 -0.0698 -0.1292 -0.0768 131 PHE D CD2 5442 C CE1 . PHE D 128 ? 0.4806 0.6103 0.5894 -0.0284 -0.1303 -0.0757 131 PHE D CE1 5443 C CE2 . PHE D 128 ? 0.5125 0.6740 0.6069 -0.0798 -0.1218 -0.0888 131 PHE D CE2 5444 C CZ . PHE D 128 ? 0.4980 0.6654 0.6060 -0.0580 -0.1223 -0.0871 131 PHE D CZ 5445 N N . GLU D 129 ? 0.5353 0.5513 0.5842 -0.0276 -0.1698 -0.0417 132 GLU D N 5446 C CA . GLU D 129 ? 0.5518 0.5319 0.5777 -0.0342 -0.1697 -0.0350 132 GLU D CA 5447 C C . GLU D 129 ? 0.5551 0.5123 0.5664 -0.0599 -0.1528 -0.0410 132 GLU D C 5448 O O . GLU D 129 ? 0.5600 0.5305 0.5696 -0.0777 -0.1429 -0.0492 132 GLU D O 5449 C CB . GLU D 129 ? 0.5768 0.5805 0.5884 -0.0292 -0.1857 -0.0281 132 GLU D CB 5450 C CG . GLU D 129 ? 0.5877 0.6008 0.6034 0.0060 -0.2014 -0.0188 132 GLU D CG 5451 C CD . GLU D 129 ? 0.6178 0.6584 0.6124 0.0198 -0.2188 -0.0091 132 GLU D CD 5452 O OE1 . GLU D 129 ? 0.6489 0.6514 0.6101 0.0157 -0.2187 0.0018 132 GLU D OE1 5453 O OE2 . GLU D 129 ? 0.6161 0.7222 0.6260 0.0363 -0.2326 -0.0130 132 GLU D OE2 5454 N N . PRO D 130 ? 0.5611 0.4812 0.5590 -0.0630 -0.1464 -0.0388 133 PRO D N 5455 C CA . PRO D 130 ? 0.5701 0.4656 0.5533 -0.0802 -0.1293 -0.0451 133 PRO D CA 5456 C C . PRO D 130 ? 0.5910 0.4951 0.5554 -0.1060 -0.1251 -0.0508 133 PRO D C 5457 O O . PRO D 130 ? 0.6003 0.5337 0.5596 -0.1106 -0.1392 -0.0483 133 PRO D O 5458 C CB . PRO D 130 ? 0.5771 0.4484 0.5519 -0.0793 -0.1274 -0.0435 133 PRO D CB 5459 C CG . PRO D 130 ? 0.5705 0.4421 0.5574 -0.0619 -0.1371 -0.0386 133 PRO D CG 5460 C CD . PRO D 130 ? 0.5686 0.4659 0.5624 -0.0509 -0.1517 -0.0324 133 PRO D CD 5461 N N . SER D 131 ? 0.6077 0.4863 0.5580 -0.1211 -0.1048 -0.0594 134 SER D N 5462 C CA . SER D 131 ? 0.6380 0.5196 0.5670 -0.1525 -0.0953 -0.0705 134 SER D CA 5463 C C . SER D 131 ? 0.6596 0.5208 0.5676 -0.1642 -0.0902 -0.0734 134 SER D C 5464 O O . SER D 131 ? 0.6595 0.4895 0.5656 -0.1525 -0.0810 -0.0721 134 SER D O 5465 C CB . SER D 131 ? 0.6632 0.5140 0.5779 -0.1667 -0.0696 -0.0802 134 SER D CB 5466 O OG . SER D 131 ? 0.6815 0.4788 0.5816 -0.1531 -0.0514 -0.0787 134 SER D OG 5467 N N . GLU D 132 ? 0.6809 0.5689 0.5735 -0.1876 -0.0962 -0.0795 135 GLU D N 5468 C CA . GLU D 132 ? 0.7069 0.5804 0.5744 -0.2036 -0.0907 -0.0839 135 GLU D CA 5469 C C . GLU D 132 ? 0.7279 0.5494 0.5820 -0.2100 -0.0625 -0.0950 135 GLU D C 5470 O O . GLU D 132 ? 0.7317 0.5330 0.5815 -0.2020 -0.0574 -0.0935 135 GLU D O 5471 C CB . GLU D 132 ? 0.7310 0.6479 0.5804 -0.2324 -0.0973 -0.0948 135 GLU D CB 5472 N N . ALA D 133 ? 0.7492 0.5476 0.5939 -0.2233 -0.0420 -0.1067 136 ALA D N 5473 C CA . ALA D 133 ? 0.7835 0.5210 0.6072 -0.2219 -0.0119 -0.1156 136 ALA D CA 5474 C C . ALA D 133 ? 0.7649 0.4832 0.6031 -0.1823 -0.0111 -0.1053 136 ALA D C 5475 O O . ALA D 133 ? 0.7851 0.4787 0.6118 -0.1760 0.0034 -0.1123 136 ALA D O 5476 C CB . ALA D 133 ? 0.8204 0.5232 0.6264 -0.2359 0.0112 -0.1241 136 ALA D CB 5477 N N . GLU D 134 ? 0.7276 0.4654 0.5920 -0.1564 -0.0263 -0.0921 137 GLU D N 5478 C CA . GLU D 134 ? 0.7053 0.4440 0.5874 -0.1217 -0.0284 -0.0866 137 GLU D CA 5479 C C . GLU D 134 ? 0.6874 0.4498 0.5794 -0.1256 -0.0381 -0.0886 137 GLU D C 5480 O O . GLU D 134 ? 0.6944 0.4542 0.5887 -0.1130 -0.0278 -0.0960 137 GLU D O 5481 C CB . GLU D 134 ? 0.6734 0.4331 0.5795 -0.0988 -0.0424 -0.0755 137 GLU D CB 5482 C CG . GLU D 134 ? 0.6617 0.4306 0.5839 -0.0631 -0.0422 -0.0744 137 GLU D CG 5483 C CD . GLU D 134 ? 0.6220 0.4305 0.5750 -0.0504 -0.0623 -0.0692 137 GLU D CD 5484 O OE1 . GLU D 134 ? 0.6119 0.4344 0.5732 -0.0636 -0.0766 -0.0638 137 GLU D OE1 5485 O OE2 . GLU D 134 ? 0.5988 0.4279 0.5668 -0.0255 -0.0632 -0.0725 137 GLU D OE2 5486 N N . ILE D 135 ? 0.6733 0.4588 0.5675 -0.1418 -0.0560 -0.0824 138 ILE D N 5487 C CA . ILE D 135 ? 0.6703 0.4650 0.5621 -0.1491 -0.0620 -0.0812 138 ILE D CA 5488 C C . ILE D 135 ? 0.6983 0.4786 0.5681 -0.1668 -0.0445 -0.0941 138 ILE D C 5489 O O . ILE D 135 ? 0.7007 0.4844 0.5741 -0.1653 -0.0366 -0.1010 138 ILE D O 5490 C CB . ILE D 135 ? 0.6721 0.4817 0.5553 -0.1580 -0.0824 -0.0682 138 ILE D CB 5491 C CG1 . ILE D 135 ? 0.6476 0.4695 0.5541 -0.1362 -0.0976 -0.0575 138 ILE D CG1 5492 C CG2 . ILE D 135 ? 0.6927 0.4934 0.5550 -0.1703 -0.0819 -0.0652 138 ILE D CG2 5493 C CD1 . ILE D 135 ? 0.6452 0.4859 0.5446 -0.1341 -0.1175 -0.0452 138 ILE D CD1 5494 N N . SER D 136 ? 0.7206 0.4882 0.5680 -0.1862 -0.0359 -0.1011 139 SER D N 5495 C CA . SER D 136 ? 0.7508 0.5024 0.5736 -0.2057 -0.0175 -0.1160 139 SER D CA 5496 C C . SER D 136 ? 0.7631 0.4900 0.5889 -0.1857 0.0058 -0.1284 139 SER D C 5497 O O . SER D 136 ? 0.7837 0.5075 0.5996 -0.1919 0.0200 -0.1412 139 SER D O 5498 C CB . SER D 136 ? 0.7810 0.5281 0.5777 -0.2356 -0.0126 -0.1249 139 SER D CB 5499 O OG . SER D 136 ? 0.7707 0.5549 0.5689 -0.2446 -0.0370 -0.1139 139 SER D OG 5500 N N . HIS D 137 ? 0.7564 0.4679 0.5929 -0.1586 0.0102 -0.1243 140 HIS D N 5501 C CA . HIS D 137 ? 0.7846 0.4660 0.6138 -0.1304 0.0333 -0.1332 140 HIS D CA 5502 C C . HIS D 137 ? 0.7583 0.4754 0.6171 -0.0945 0.0288 -0.1341 140 HIS D C 5503 O O . HIS D 137 ? 0.7800 0.4948 0.6363 -0.0715 0.0455 -0.1461 140 HIS D O 5504 C CB . HIS D 137 ? 0.8159 0.4496 0.6255 -0.1191 0.0460 -0.1278 140 HIS D CB 5505 C CG . HIS D 137 ? 0.8633 0.4499 0.6517 -0.0831 0.0722 -0.1326 140 HIS D CG 5506 N ND1 . HIS D 137 ? 0.9021 0.4585 0.6671 -0.0847 0.0960 -0.1492 140 HIS D ND1 5507 C CD2 . HIS D 137 ? 0.8808 0.4433 0.6628 -0.0395 0.0788 -0.1220 140 HIS D CD2 5508 C CE1 . HIS D 137 ? 0.9530 0.4668 0.6987 -0.0397 0.1162 -0.1481 140 HIS D CE1 5509 N NE2 . HIS D 137 ? 0.9370 0.4533 0.6903 -0.0108 0.1057 -0.1303 140 HIS D NE2 5510 N N . THR D 138 ? 0.7172 0.4723 0.6041 -0.0898 0.0073 -0.1243 141 THR D N 5511 C CA . THR D 138 ? 0.6930 0.4930 0.6105 -0.0609 0.0022 -0.1290 141 THR D CA 5512 C C . THR D 138 ? 0.6693 0.5086 0.6050 -0.0845 -0.0069 -0.1351 141 THR D C 5513 O O . THR D 138 ? 0.6562 0.5414 0.6166 -0.0726 -0.0057 -0.1481 141 THR D O 5514 C CB . THR D 138 ? 0.6713 0.4798 0.6032 -0.0350 -0.0105 -0.1161 141 THR D CB 5515 O OG1 . THR D 138 ? 0.6377 0.4502 0.5768 -0.0581 -0.0284 -0.1050 141 THR D OG1 5516 C CG2 . THR D 138 ? 0.7110 0.4684 0.6149 -0.0130 0.0028 -0.1075 141 THR D CG2 5517 N N . GLN D 139 ? 0.6750 0.4967 0.5942 -0.1179 -0.0144 -0.1266 142 GLN D N 5518 C CA . GLN D 139 ? 0.6713 0.5078 0.5939 -0.1399 -0.0222 -0.1251 142 GLN D CA 5519 C C . GLN D 139 ? 0.6446 0.5047 0.5948 -0.1251 -0.0339 -0.1224 142 GLN D C 5520 O O . GLN D 139 ? 0.6445 0.5235 0.6039 -0.1378 -0.0310 -0.1317 142 GLN D O 5521 C CB . GLN D 139 ? 0.6893 0.5416 0.6068 -0.1590 -0.0055 -0.1431 142 GLN D CB 5522 C CG . GLN D 139 ? 0.7255 0.5544 0.6126 -0.1768 0.0068 -0.1477 142 GLN D CG 5523 C CD . GLN D 139 ? 0.7433 0.5420 0.5978 -0.1998 -0.0048 -0.1301 142 GLN D CD 5524 O OE1 . GLN D 139 ? 0.7538 0.5460 0.5906 -0.2184 -0.0118 -0.1199 142 GLN D OE1 5525 N NE2 . GLN D 139 ? 0.7532 0.5338 0.5958 -0.1980 -0.0054 -0.1276 142 GLN D NE2 5526 N N . LYS D 140 ? 0.6303 0.4869 0.5898 -0.1023 -0.0439 -0.1121 143 LYS D N 5527 C CA . LYS D 140 ? 0.6064 0.4827 0.5886 -0.0877 -0.0559 -0.1087 143 LYS D CA 5528 C C . LYS D 140 ? 0.6022 0.4566 0.5777 -0.0836 -0.0692 -0.0904 143 LYS D C 5529 O O . LYS D 140 ? 0.6145 0.4482 0.5739 -0.0852 -0.0661 -0.0847 143 LYS D O 5530 C CB . LYS D 140 ? 0.5922 0.5066 0.5972 -0.0556 -0.0523 -0.1200 143 LYS D CB 5531 C CG . LYS D 140 ? 0.5939 0.5554 0.6153 -0.0554 -0.0408 -0.1439 143 LYS D CG 5532 C CD . LYS D 140 ? 0.5858 0.5967 0.6272 -0.0134 -0.0404 -0.1540 143 LYS D CD 5533 C CE . LYS D 140 ? 0.6156 0.5930 0.6345 0.0190 -0.0319 -0.1440 143 LYS D CE 5534 N NZ . LYS D 140 ? 0.6307 0.6028 0.6383 0.0169 -0.0146 -0.1564 143 LYS D NZ 5535 N N . ALA D 141 ? 0.5900 0.4508 0.5772 -0.0807 -0.0814 -0.0846 144 ALA D N 5536 C CA . ALA D 141 ? 0.5863 0.4381 0.5713 -0.0761 -0.0945 -0.0702 144 ALA D CA 5537 C C . ALA D 141 ? 0.5660 0.4378 0.5735 -0.0544 -0.1006 -0.0707 144 ALA D C 5538 O O . ALA D 141 ? 0.5622 0.4489 0.5844 -0.0512 -0.1020 -0.0787 144 ALA D O 5539 C CB . ALA D 141 ? 0.6022 0.4378 0.5721 -0.0888 -0.1039 -0.0603 144 ALA D CB 5540 N N . THR D 142 ? 0.5613 0.4326 0.5682 -0.0435 -0.1015 -0.0644 145 THR D N 5541 C CA . THR D 142 ? 0.5468 0.4366 0.5696 -0.0235 -0.1064 -0.0635 145 THR D CA 5542 C C . THR D 142 ? 0.5395 0.4332 0.5672 -0.0259 -0.1181 -0.0556 145 THR D C 5543 O O . THR D 142 ? 0.5492 0.4374 0.5661 -0.0380 -0.1194 -0.0502 145 THR D O 5544 C CB . THR D 142 ? 0.5608 0.4436 0.5727 -0.0059 -0.0954 -0.0612 145 THR D CB 5545 O OG1 . THR D 142 ? 0.5841 0.4591 0.5857 0.0004 -0.0834 -0.0673 145 THR D OG1 5546 C CG2 . THR D 142 ? 0.5461 0.4553 0.5712 0.0184 -0.0998 -0.0621 145 THR D CG2 5547 N N . LEU D 143 ? 0.5253 0.4352 0.5703 -0.0145 -0.1256 -0.0584 146 LEU D N 5548 C CA . LEU D 143 ? 0.5189 0.4386 0.5719 -0.0094 -0.1359 -0.0533 146 LEU D CA 5549 C C . LEU D 143 ? 0.5055 0.4463 0.5706 0.0055 -0.1346 -0.0562 146 LEU D C 5550 O O . LEU D 143 ? 0.4994 0.4527 0.5737 0.0162 -0.1329 -0.0645 146 LEU D O 5551 C CB . LEU D 143 ? 0.5285 0.4378 0.5841 -0.0070 -0.1427 -0.0542 146 LEU D CB 5552 C CG . LEU D 143 ? 0.5577 0.4384 0.5915 -0.0184 -0.1444 -0.0470 146 LEU D CG 5553 C CD1 . LEU D 143 ? 0.5632 0.4291 0.5880 -0.0346 -0.1324 -0.0546 146 LEU D CD1 5554 C CD2 . LEU D 143 ? 0.5859 0.4442 0.6128 -0.0073 -0.1496 -0.0429 146 LEU D CD2 5555 N N . VAL D 144 ? 0.5034 0.4540 0.5671 0.0039 -0.1344 -0.0517 147 VAL D N 5556 C CA . VAL D 144 ? 0.4964 0.4624 0.5637 0.0151 -0.1299 -0.0528 147 VAL D CA 5557 C C . VAL D 144 ? 0.4869 0.4807 0.5739 0.0222 -0.1394 -0.0565 147 VAL D C 5558 O O . VAL D 144 ? 0.4904 0.4971 0.5830 0.0168 -0.1463 -0.0553 147 VAL D O 5559 C CB . VAL D 144 ? 0.5157 0.4657 0.5600 0.0040 -0.1150 -0.0475 147 VAL D CB 5560 C CG1 . VAL D 144 ? 0.5184 0.4787 0.5583 0.0128 -0.1078 -0.0465 147 VAL D CG1 5561 C CG2 . VAL D 144 ? 0.5330 0.4484 0.5540 0.0060 -0.1030 -0.0443 147 VAL D CG2 5562 N N . CYS D 145 ? 0.4811 0.4898 0.5783 0.0368 -0.1399 -0.0628 148 CYS D N 5563 C CA . CYS D 145 ? 0.4774 0.5120 0.5920 0.0461 -0.1455 -0.0689 148 CYS D CA 5564 C C . CYS D 145 ? 0.4808 0.5356 0.5908 0.0470 -0.1368 -0.0689 148 CYS D C 5565 O O . CYS D 145 ? 0.4903 0.5366 0.5831 0.0518 -0.1283 -0.0655 148 CYS D O 5566 C CB . CYS D 145 ? 0.4727 0.5073 0.5987 0.0572 -0.1490 -0.0805 148 CYS D CB 5567 S SG . CYS D 145 ? 0.4807 0.5328 0.6248 0.0720 -0.1544 -0.0891 148 CYS D SG 5568 N N . LEU D 146 ? 0.4801 0.5634 0.6022 0.0446 -0.1380 -0.0726 149 LEU D N 5569 C CA . LEU D 146 ? 0.4899 0.5924 0.6047 0.0390 -0.1259 -0.0742 149 LEU D CA 5570 C C . LEU D 146 ? 0.4824 0.6265 0.6214 0.0514 -0.1305 -0.0865 149 LEU D C 5571 O O . LEU D 146 ? 0.4805 0.6585 0.6391 0.0509 -0.1358 -0.0930 149 LEU D O 5572 C CB . LEU D 146 ? 0.5062 0.6107 0.6092 0.0130 -0.1154 -0.0722 149 LEU D CB 5573 C CG . LEU D 146 ? 0.5410 0.6182 0.6080 -0.0040 -0.0917 -0.0665 149 LEU D CG 5574 C CD1 . LEU D 146 ? 0.5632 0.5839 0.5990 0.0023 -0.0852 -0.0536 149 LEU D CD1 5575 C CD2 . LEU D 146 ? 0.5597 0.6518 0.6214 -0.0386 -0.0784 -0.0741 149 LEU D CD2 5576 N N . ALA D 147 ? 0.4804 0.6281 0.6179 0.0647 -0.1287 -0.0916 150 ALA D N 5577 C CA . ALA D 147 ? 0.4748 0.6601 0.6302 0.0749 -0.1285 -0.1054 150 ALA D CA 5578 C C . ALA D 147 ? 0.4886 0.6931 0.6276 0.0622 -0.1126 -0.1041 150 ALA D C 5579 O O . ALA D 147 ? 0.5073 0.6884 0.6138 0.0601 -0.1022 -0.0940 150 ALA D O 5580 C CB . ALA D 147 ? 0.4710 0.6541 0.6300 0.0902 -0.1322 -0.1161 150 ALA D CB 5581 N N . THR D 148 ? 0.4850 0.7322 0.6426 0.0551 -0.1091 -0.1145 151 THR D N 5582 C CA . THR D 148 ? 0.5051 0.7698 0.6448 0.0326 -0.0889 -0.1158 151 THR D CA 5583 C C . THR D 148 ? 0.5018 0.8264 0.6645 0.0359 -0.0843 -0.1346 151 THR D C 5584 O O . THR D 148 ? 0.4830 0.8462 0.6827 0.0543 -0.0975 -0.1483 151 THR D O 5585 C CB . THR D 148 ? 0.5166 0.7835 0.6508 0.0024 -0.0802 -0.1144 151 THR D CB 5586 O OG1 . THR D 148 ? 0.4922 0.8123 0.6670 0.0085 -0.0958 -0.1272 151 THR D OG1 5587 C CG2 . THR D 148 ? 0.5287 0.7324 0.6339 -0.0044 -0.0790 -0.0972 151 THR D CG2 5588 N N . GLY D 149 ? 0.5291 0.8570 0.6644 0.0200 -0.0635 -0.1346 152 GLY D N 5589 C CA . GLY D 149 ? 0.5324 0.9218 0.6852 0.0139 -0.0529 -0.1542 152 GLY D CA 5590 C C . GLY D 149 ? 0.5193 0.9329 0.6894 0.0421 -0.0607 -0.1669 152 GLY D C 5591 O O . GLY D 149 ? 0.5135 0.9860 0.7168 0.0492 -0.0606 -0.1881 152 GLY D O 5592 N N . PHE D 150 ? 0.5186 0.8928 0.6665 0.0581 -0.0665 -0.1574 153 PHE D N 5593 C CA . PHE D 150 ? 0.5096 0.9050 0.6699 0.0795 -0.0720 -0.1735 153 PHE D CA 5594 C C . PHE D 150 ? 0.5400 0.9409 0.6614 0.0750 -0.0570 -0.1713 153 PHE D C 5595 O O . PHE D 150 ? 0.5698 0.9366 0.6451 0.0638 -0.0454 -0.1502 153 PHE D O 5596 C CB . PHE D 150 ? 0.4924 0.8561 0.6619 0.0988 -0.0898 -0.1736 153 PHE D CB 5597 C CG . PHE D 150 ? 0.4932 0.8148 0.6293 0.0970 -0.0925 -0.1536 153 PHE D CG 5598 C CD1 . PHE D 150 ? 0.4824 0.7679 0.6135 0.0895 -0.0968 -0.1367 153 PHE D CD1 5599 C CD2 . PHE D 150 ? 0.5061 0.8318 0.6161 0.1059 -0.0916 -0.1539 153 PHE D CD2 5600 C CE1 . PHE D 150 ? 0.4856 0.7358 0.5875 0.0925 -0.0983 -0.1202 153 PHE D CE1 5601 C CE2 . PHE D 150 ? 0.5078 0.8061 0.5889 0.1121 -0.0955 -0.1368 153 PHE D CE2 5602 C CZ . PHE D 150 ? 0.4998 0.7585 0.5777 0.1063 -0.0981 -0.1201 153 PHE D CZ 5603 N N . TYR D 151 ? 0.5409 0.9807 0.6763 0.0859 -0.0558 -0.1930 154 TYR D N 5604 C CA . TYR D 151 ? 0.5710 1.0246 0.6693 0.0854 -0.0440 -0.1941 154 TYR D CA 5605 C C . TYR D 151 ? 0.5642 1.0515 0.6860 0.1024 -0.0507 -0.2226 154 TYR D C 5606 O O . TYR D 151 ? 0.5519 1.0672 0.7137 0.1084 -0.0506 -0.2452 154 TYR D O 5607 C CB . TYR D 151 ? 0.5987 1.0763 0.6786 0.0622 -0.0196 -0.1946 154 TYR D CB 5608 C CG . TYR D 151 ? 0.6435 1.1197 0.6669 0.0593 -0.0037 -0.1864 154 TYR D CG 5609 C CD1 . TYR D 151 ? 0.6899 1.1120 0.6482 0.0514 0.0097 -0.1551 154 TYR D CD1 5610 C CD2 . TYR D 151 ? 0.6471 1.1714 0.6758 0.0667 -0.0002 -0.2095 154 TYR D CD2 5611 C CE1 . TYR D 151 ? 0.7436 1.1582 0.6393 0.0545 0.0249 -0.1433 154 TYR D CE1 5612 C CE2 . TYR D 151 ? 0.6913 1.2174 0.6622 0.0653 0.0140 -0.2007 154 TYR D CE2 5613 C CZ . TYR D 151 ? 0.7413 1.2118 0.6438 0.0609 0.0259 -0.1658 154 TYR D CZ 5614 O OH . TYR D 151 ? 0.7984 1.2642 0.6334 0.0652 0.0403 -0.1527 154 TYR D OH 5615 N N . PRO D 152 ? 0.5789 1.0662 0.6743 0.1117 -0.0556 -0.2237 155 PRO D N 5616 C CA . PRO D 152 ? 0.6039 1.0676 0.6503 0.1160 -0.0579 -0.1982 155 PRO D CA 5617 C C . PRO D 152 ? 0.5855 1.0176 0.6429 0.1243 -0.0752 -0.1896 155 PRO D C 5618 O O . PRO D 152 ? 0.5576 0.9772 0.6554 0.1226 -0.0833 -0.2001 155 PRO D O 5619 C CB . PRO D 152 ? 0.6255 1.1311 0.6494 0.1258 -0.0577 -0.2140 155 PRO D CB 5620 C CG . PRO D 152 ? 0.6030 1.1395 0.6744 0.1255 -0.0601 -0.2527 155 PRO D CG 5621 C CD . PRO D 152 ? 0.5760 1.0928 0.6914 0.1215 -0.0596 -0.2560 155 PRO D CD 5622 N N . ASP D 153 ? 0.6092 1.0299 0.6278 0.1360 -0.0799 -0.1707 156 ASP D N 5623 C CA . ASP D 153 ? 0.5980 0.9907 0.6234 0.1424 -0.0929 -0.1602 156 ASP D CA 5624 C C . ASP D 153 ? 0.5757 0.9958 0.6322 0.1461 -0.1073 -0.1872 156 ASP D C 5625 O O . ASP D 153 ? 0.5748 0.9989 0.6238 0.1554 -0.1172 -0.1832 156 ASP D O 5626 C CB . ASP D 153 ? 0.6355 1.0019 0.6060 0.1580 -0.0900 -0.1283 156 ASP D CB 5627 C CG . ASP D 153 ? 0.6728 1.0825 0.6069 0.1813 -0.0946 -0.1298 156 ASP D CG 5628 O OD1 . ASP D 153 ? 0.6875 1.1404 0.6223 0.1782 -0.0914 -0.1489 156 ASP D OD1 5629 O OD2 . ASP D 153 ? 0.7057 1.1113 0.6095 0.2054 -0.1018 -0.1127 156 ASP D OD2 5630 N N . HIS D 154 ? 0.5653 1.0024 0.6550 0.1376 -0.1057 -0.2170 157 HIS D N 5631 C CA . HIS D 154 ? 0.5573 1.0038 0.6733 0.1322 -0.1119 -0.2468 157 HIS D CA 5632 C C . HIS D 154 ? 0.5411 0.9358 0.6840 0.1248 -0.1146 -0.2438 157 HIS D C 5633 O O . HIS D 154 ? 0.5440 0.9175 0.7093 0.1227 -0.1096 -0.2566 157 HIS D O 5634 C CB . HIS D 154 ? 0.5706 1.0458 0.7000 0.1275 -0.1039 -0.2815 157 HIS D CB 5635 C CG . HIS D 154 ? 0.5963 1.1325 0.6998 0.1317 -0.1035 -0.2948 157 HIS D CG 5636 N ND1 . HIS D 154 ? 0.6123 1.1902 0.7212 0.1236 -0.1053 -0.3311 157 HIS D ND1 5637 C CD2 . HIS D 154 ? 0.6198 1.1833 0.6869 0.1421 -0.1004 -0.2773 157 HIS D CD2 5638 C CE1 . HIS D 154 ? 0.6365 1.2743 0.7163 0.1318 -0.1065 -0.3356 157 HIS D CE1 5639 N NE2 . HIS D 154 ? 0.6445 1.2698 0.6957 0.1450 -0.1034 -0.3009 157 HIS D NE2 5640 N N . VAL D 155 ? 0.5312 0.9055 0.6682 0.1246 -0.1220 -0.2264 158 VAL D N 5641 C CA . VAL D 155 ? 0.5215 0.8473 0.6774 0.1164 -0.1244 -0.2229 158 VAL D CA 5642 C C . VAL D 155 ? 0.5204 0.8483 0.6782 0.1078 -0.1289 -0.2337 158 VAL D C 5643 O O . VAL D 155 ? 0.5192 0.8840 0.6623 0.1149 -0.1344 -0.2298 158 VAL D O 5644 C CB . VAL D 155 ? 0.5112 0.8025 0.6624 0.1181 -0.1258 -0.1908 158 VAL D CB 5645 C CG1 . VAL D 155 ? 0.5098 0.8039 0.6710 0.1198 -0.1199 -0.1890 158 VAL D CG1 5646 C CG2 . VAL D 155 ? 0.5173 0.8133 0.6377 0.1246 -0.1263 -0.1669 158 VAL D CG2 5647 N N . GLU D 156 ? 0.5276 0.8164 0.7000 0.0943 -0.1249 -0.2478 159 GLU D N 5648 C CA . GLU D 156 ? 0.5297 0.8133 0.7044 0.0782 -0.1247 -0.2597 159 GLU D CA 5649 C C . GLU D 156 ? 0.5287 0.7475 0.7045 0.0731 -0.1246 -0.2403 159 GLU D C 5650 O O . GLU D 156 ? 0.5510 0.7176 0.7287 0.0691 -0.1175 -0.2449 159 GLU D O 5651 C CB . GLU D 156 ? 0.5565 0.8492 0.7374 0.0573 -0.1133 -0.3017 159 GLU D CB 5652 C CG . GLU D 156 ? 0.5621 0.9345 0.7414 0.0573 -0.1146 -0.3277 159 GLU D CG 5653 C CD . GLU D 156 ? 0.6003 0.9772 0.7846 0.0298 -0.0989 -0.3753 159 GLU D CD 5654 O OE1 . GLU D 156 ? 0.6284 0.9313 0.8119 0.0199 -0.0843 -0.3837 159 GLU D OE1 5655 O OE2 . GLU D 156 ? 0.6037 1.0577 0.7888 0.0192 -0.1000 -0.4054 159 GLU D OE2 5656 N N . LEU D 157 ? 0.5082 0.7283 0.6779 0.0765 -0.1315 -0.2181 160 LEU D N 5657 C CA . LEU D 157 ? 0.5052 0.6717 0.6726 0.0712 -0.1324 -0.1985 160 LEU D CA 5658 C C . LEU D 157 ? 0.5168 0.6658 0.6841 0.0496 -0.1262 -0.2141 160 LEU D C 5659 O O . LEU D 157 ? 0.5144 0.7108 0.6855 0.0416 -0.1254 -0.2323 160 LEU D O 5660 C CB . LEU D 157 ? 0.4853 0.6547 0.6425 0.0821 -0.1388 -0.1693 160 LEU D CB 5661 C CG . LEU D 157 ? 0.4893 0.6118 0.6432 0.0787 -0.1407 -0.1475 160 LEU D CG 5662 C CD1 . LEU D 157 ? 0.4888 0.6151 0.6312 0.0863 -0.1416 -0.1250 160 LEU D CD1 5663 C CD2 . LEU D 157 ? 0.4925 0.5911 0.6423 0.0653 -0.1395 -0.1468 160 LEU D CD2 5664 N N . SER D 158 ? 0.5345 0.6199 0.6951 0.0408 -0.1209 -0.2075 161 SER D N 5665 C CA . SER D 158 ? 0.5562 0.6111 0.7089 0.0153 -0.1102 -0.2204 161 SER D CA 5666 C C . SER D 158 ? 0.5693 0.5592 0.7060 0.0155 -0.1107 -0.1951 161 SER D C 5667 O O . SER D 158 ? 0.5865 0.5366 0.7155 0.0317 -0.1135 -0.1798 161 SER D O 5668 C CB . SER D 158 ? 0.6031 0.6352 0.7508 -0.0048 -0.0927 -0.2538 161 SER D CB 5669 O OG . SER D 158 ? 0.6380 0.6150 0.7760 0.0106 -0.0886 -0.2477 161 SER D OG 5670 N N . TRP D 159 ? 0.5629 0.5506 0.6943 -0.0002 -0.1085 -0.1919 162 TRP D N 5671 C CA . TRP D 159 ? 0.5779 0.5080 0.6893 -0.0041 -0.1079 -0.1701 162 TRP D CA 5672 C C . TRP D 159 ? 0.6387 0.5013 0.7248 -0.0273 -0.0887 -0.1825 162 TRP D C 5673 O O . TRP D 159 ? 0.6567 0.5303 0.7442 -0.0550 -0.0730 -0.2125 162 TRP D O 5674 C CB . TRP D 159 ? 0.5480 0.5043 0.6620 -0.0108 -0.1118 -0.1617 162 TRP D CB 5675 C CG . TRP D 159 ? 0.5077 0.4950 0.6294 0.0105 -0.1254 -0.1413 162 TRP D CG 5676 C CD1 . TRP D 159 ? 0.4798 0.5208 0.6128 0.0232 -0.1297 -0.1446 162 TRP D CD1 5677 C CD2 . TRP D 159 ? 0.4995 0.4628 0.6118 0.0196 -0.1333 -0.1157 162 TRP D CD2 5678 N NE1 . TRP D 159 ? 0.4618 0.4991 0.5882 0.0370 -0.1358 -0.1219 162 TRP D NE1 5679 C CE2 . TRP D 159 ? 0.4712 0.4674 0.5885 0.0315 -0.1381 -0.1069 162 TRP D CE2 5680 C CE3 . TRP D 159 ? 0.5196 0.4388 0.6158 0.0194 -0.1361 -0.1002 162 TRP D CE3 5681 C CZ2 . TRP D 159 ? 0.4643 0.4506 0.5737 0.0348 -0.1424 -0.0880 162 TRP D CZ2 5682 C CZ3 . TRP D 159 ? 0.5070 0.4322 0.6003 0.0269 -0.1451 -0.0817 162 TRP D CZ3 5683 C CH2 . TRP D 159 ? 0.4827 0.4413 0.5841 0.0303 -0.1467 -0.0781 162 TRP D CH2 5684 N N . TRP D 160 ? 0.6766 0.4700 0.7353 -0.0163 -0.0884 -0.1600 163 TRP D N 5685 C CA . TRP D 160 ? 0.7548 0.4611 0.7742 -0.0328 -0.0670 -0.1649 163 TRP D CA 5686 C C . TRP D 160 ? 0.7867 0.4392 0.7718 -0.0343 -0.0669 -0.1381 163 TRP D C 5687 O O . TRP D 160 ? 0.7896 0.4257 0.7634 -0.0038 -0.0822 -0.1096 163 TRP D O 5688 C CB . TRP D 160 ? 0.8039 0.4599 0.8086 -0.0090 -0.0614 -0.1657 163 TRP D CB 5689 C CG . TRP D 160 ? 0.7902 0.4864 0.8192 -0.0170 -0.0543 -0.1987 163 TRP D CG 5690 C CD1 . TRP D 160 ? 0.7213 0.4997 0.7884 -0.0008 -0.0708 -0.2038 163 TRP D CD1 5691 C CD2 . TRP D 160 ? 0.8508 0.5060 0.8625 -0.0465 -0.0263 -0.2331 163 TRP D CD2 5692 N NE1 . TRP D 160 ? 0.7362 0.5342 0.8122 -0.0151 -0.0579 -0.2381 163 TRP D NE1 5693 C CE2 . TRP D 160 ? 0.8130 0.5389 0.8577 -0.0450 -0.0304 -0.2590 163 TRP D CE2 5694 C CE3 . TRP D 160 ? 0.9478 0.5094 0.9142 -0.0775 0.0049 -0.2460 163 TRP D CE3 5695 C CZ2 . TRP D 160 ? 0.8638 0.5786 0.9020 -0.0742 -0.0061 -0.3004 163 TRP D CZ2 5696 C CZ3 . TRP D 160 ? 1.0033 0.5451 0.9612 -0.1101 0.0327 -0.2881 163 TRP D CZ3 5697 C CH2 . TRP D 160 ? 0.9546 0.5776 0.9508 -0.1084 0.0260 -0.3162 163 TRP D CH2 5698 N N . VAL D 161 ? 0.8113 0.4455 0.7802 -0.0713 -0.0494 -0.1500 164 VAL D N 5699 C CA . VAL D 161 ? 0.8511 0.4319 0.7814 -0.0789 -0.0452 -0.1275 164 VAL D CA 5700 C C . VAL D 161 ? 0.9616 0.4314 0.8326 -0.0970 -0.0159 -0.1288 164 VAL D C 5701 O O . VAL D 161 ? 0.9971 0.4493 0.8596 -0.1388 0.0114 -0.1596 164 VAL D O 5702 C CB . VAL D 161 ? 0.8075 0.4428 0.7555 -0.1071 -0.0441 -0.1371 164 VAL D CB 5703 C CG1 . VAL D 161 ? 0.8521 0.4304 0.7560 -0.1185 -0.0372 -0.1159 164 VAL D CG1 5704 C CG2 . VAL D 161 ? 0.7210 0.4441 0.7140 -0.0849 -0.0690 -0.1313 164 VAL D CG2 5705 N N . ASN D 162 ? 1.0231 0.4196 0.8496 -0.0646 -0.0206 -0.0961 165 ASN D N 5706 C CA . ASN D 162 ? 1.1523 0.4209 0.9049 -0.0707 0.0078 -0.0869 165 ASN D CA 5707 C C . ASN D 162 ? 1.2238 0.4249 0.9565 -0.0746 0.0337 -0.1089 165 ASN D C 5708 O O . ASN D 162 ? 1.3442 0.4219 1.0065 -0.0790 0.0628 -0.1017 165 ASN D O 5709 C CB . ASN D 162 ? 1.1960 0.4276 0.9136 -0.1208 0.0327 -0.0932 165 ASN D CB 5710 C CG . ASN D 162 ? 1.1882 0.4266 0.8866 -0.1077 0.0151 -0.0601 165 ASN D CG 5711 O OD1 . ASN D 162 ? 1.1851 0.4278 0.8766 -0.0602 -0.0108 -0.0287 165 ASN D OD1 5712 N ND2 . ASN D 162 ? 1.1928 0.4393 0.8827 -0.1515 0.0303 -0.0704 165 ASN D ND2 5713 N N . GLY D 163 ? 1.1600 0.4349 0.9477 -0.0726 0.0255 -0.1354 166 GLY D N 5714 C CA . GLY D 163 ? 1.2241 0.4456 0.9977 -0.0784 0.0500 -0.1618 166 GLY D CA 5715 C C . GLY D 163 ? 1.1885 0.4763 1.0010 -0.1303 0.0657 -0.2117 166 GLY D C 5716 O O . GLY D 163 ? 1.2353 0.4916 1.0401 -0.1444 0.0880 -0.2418 166 GLY D O 5717 N N . LYS D 164 ? 1.1096 0.4928 0.9622 -0.1569 0.0546 -0.2223 167 LYS D N 5718 C CA . LYS D 164 ? 1.0650 0.5398 0.9608 -0.1979 0.0627 -0.2689 167 LYS D CA 5719 C C . LYS D 164 ? 0.9419 0.5496 0.9015 -0.1737 0.0262 -0.2640 167 LYS D C 5720 O O . LYS D 164 ? 0.8966 0.5275 0.8638 -0.1556 0.0063 -0.2351 167 LYS D O 5721 C CB . LYS D 164 ? 1.1117 0.5708 0.9858 -0.2594 0.0941 -0.2954 167 LYS D CB 5722 N N . GLU D 165 ? 0.8991 0.5869 0.8978 -0.1737 0.0201 -0.2925 168 GLU D N 5723 C CA . GLU D 165 ? 0.8015 0.6042 0.8503 -0.1476 -0.0103 -0.2878 168 GLU D CA 5724 C C . GLU D 165 ? 0.7606 0.6436 0.8323 -0.1690 -0.0127 -0.3015 168 GLU D C 5725 O O . GLU D 165 ? 0.7883 0.6952 0.8607 -0.2125 0.0090 -0.3394 168 GLU D O 5726 C CB . GLU D 165 ? 0.7835 0.6434 0.8573 -0.1419 -0.0130 -0.3153 168 GLU D CB 5727 C CG . GLU D 165 ? 0.7006 0.6688 0.8145 -0.1118 -0.0414 -0.3087 168 GLU D CG 5728 C CD . GLU D 165 ? 0.6944 0.7289 0.8279 -0.1133 -0.0413 -0.3415 168 GLU D CD 5729 O OE1 . GLU D 165 ? 0.7449 0.7351 0.8634 -0.1336 -0.0206 -0.3675 168 GLU D OE1 5730 O OE2 . GLU D 165 ? 0.6396 0.7663 0.7982 -0.0931 -0.0603 -0.3411 168 GLU D OE2 5731 N N . VAL D 166 ? 0.6997 0.6257 0.7892 -0.1392 -0.0367 -0.2737 169 VAL D N 5732 C CA . VAL D 166 ? 0.6646 0.6658 0.7749 -0.1487 -0.0400 -0.2840 169 VAL D CA 5733 C C . VAL D 166 ? 0.6029 0.7075 0.7483 -0.1183 -0.0608 -0.2884 169 VAL D C 5734 O O . VAL D 166 ? 0.5779 0.6833 0.7273 -0.0844 -0.0773 -0.2672 169 VAL D O 5735 C CB . VAL D 166 ? 0.6623 0.6234 0.7557 -0.1432 -0.0442 -0.2523 169 VAL D CB 5736 C CG1 . VAL D 166 ? 0.7364 0.6070 0.7888 -0.1784 -0.0197 -0.2528 169 VAL D CG1 5737 C CG2 . VAL D 166 ? 0.6350 0.5699 0.7247 -0.1022 -0.0665 -0.2116 169 VAL D CG2 5738 N N . HIS D 167 ? 0.5889 0.7821 0.7563 -0.1296 -0.0583 -0.3166 170 HIS D N 5739 C CA . HIS D 167 ? 0.5455 0.8366 0.7375 -0.0933 -0.0776 -0.3177 170 HIS D CA 5740 C C . HIS D 167 ? 0.5256 0.8452 0.7222 -0.0764 -0.0832 -0.3042 170 HIS D C 5741 O O . HIS D 167 ? 0.4991 0.8528 0.6991 -0.0339 -0.0991 -0.2848 170 HIS D O 5742 C CB . HIS D 167 ? 0.5476 0.9392 0.7624 -0.1087 -0.0734 -0.3648 170 HIS D CB 5743 C CG . HIS D 167 ? 0.5759 0.9428 0.7852 -0.1232 -0.0667 -0.3811 170 HIS D CG 5744 N ND1 . HIS D 167 ? 0.6263 0.9707 0.8290 -0.1746 -0.0410 -0.4198 170 HIS D ND1 5745 C CD2 . HIS D 167 ? 0.5645 0.9216 0.7708 -0.0947 -0.0792 -0.3658 170 HIS D CD2 5746 C CE1 . HIS D 167 ? 0.6406 0.9602 0.8367 -0.1741 -0.0385 -0.4277 170 HIS D CE1 5747 N NE2 . HIS D 167 ? 0.6010 0.9330 0.8015 -0.1254 -0.0625 -0.3956 170 HIS D NE2 5748 N N . SER D 168 ? 0.5475 0.8444 0.7383 -0.1102 -0.0670 -0.3145 171 SER D N 5749 C CA . SER D 168 ? 0.5357 0.8477 0.7277 -0.0993 -0.0681 -0.3038 171 SER D CA 5750 C C . SER D 168 ? 0.5282 0.7611 0.6977 -0.0725 -0.0789 -0.2572 171 SER D C 5751 O O . SER D 168 ? 0.5485 0.6962 0.6955 -0.0855 -0.0761 -0.2376 171 SER D O 5752 C CB . SER D 168 ? 0.5683 0.8659 0.7541 -0.1495 -0.0443 -0.3271 171 SER D CB 5753 O OG . SER D 168 ? 0.5561 0.8740 0.7445 -0.1405 -0.0435 -0.3209 171 SER D OG 5754 N N . GLY D 169 ? 0.5071 0.7698 0.6797 -0.0340 -0.0898 -0.2414 172 GLY D N 5755 C CA . GLY D 169 ? 0.5040 0.6992 0.6544 -0.0139 -0.0962 -0.2035 172 GLY D CA 5756 C C . GLY D 169 ? 0.4942 0.6678 0.6371 0.0126 -0.1085 -0.1811 172 GLY D C 5757 O O . GLY D 169 ? 0.4939 0.6254 0.6194 0.0292 -0.1120 -0.1543 172 GLY D O 5758 N N . VAL D 170 ? 0.4898 0.6944 0.6445 0.0125 -0.1123 -0.1956 173 VAL D N 5759 C CA . VAL D 170 ? 0.4801 0.6703 0.6288 0.0330 -0.1216 -0.1791 173 VAL D CA 5760 C C . VAL D 170 ? 0.4747 0.7189 0.6213 0.0722 -0.1291 -0.1753 173 VAL D C 5761 O O . VAL D 170 ? 0.4743 0.7918 0.6332 0.0839 -0.1303 -0.1960 173 VAL D O 5762 C CB . VAL D 170 ? 0.4852 0.6753 0.6430 0.0137 -0.1196 -0.1977 173 VAL D CB 5763 C CG1 . VAL D 170 ? 0.4743 0.6652 0.6292 0.0359 -0.1283 -0.1858 173 VAL D CG1 5764 C CG2 . VAL D 170 ? 0.5065 0.6241 0.6532 -0.0155 -0.1108 -0.1942 173 VAL D CG2 5765 N N . CYS D 171 ? 0.4774 0.6866 0.6048 0.0930 -0.1328 -0.1489 174 CYS D N 5766 C CA . CYS D 171 ? 0.4899 0.7336 0.6034 0.1301 -0.1377 -0.1411 174 CYS D CA 5767 C C . CYS D 171 ? 0.4942 0.6964 0.5928 0.1314 -0.1382 -0.1222 174 CYS D C 5768 O O . CYS D 171 ? 0.4977 0.6409 0.5877 0.1169 -0.1339 -0.1055 174 CYS D O 5769 C CB . CYS D 171 ? 0.5152 0.7526 0.6053 0.1627 -0.1339 -0.1252 174 CYS D CB 5770 S SG . CYS D 171 ? 0.5599 0.7118 0.6025 0.1818 -0.1243 -0.0865 174 CYS D SG 5771 N N . THR D 172 ? 0.4981 0.7406 0.5948 0.1469 -0.1430 -0.1278 175 THR D N 5772 C CA . THR D 172 ? 0.5046 0.7198 0.5883 0.1474 -0.1416 -0.1140 175 THR D CA 5773 C C . THR D 172 ? 0.5395 0.7617 0.5861 0.1832 -0.1394 -0.0956 175 THR D C 5774 O O . THR D 172 ? 0.5555 0.8258 0.5934 0.2124 -0.1441 -0.1001 175 THR D O 5775 C CB . THR D 172 ? 0.4877 0.7347 0.5955 0.1315 -0.1456 -0.1376 175 THR D CB 5776 O OG1 . THR D 172 ? 0.4733 0.7045 0.6048 0.1023 -0.1440 -0.1546 175 THR D OG1 5777 C CG2 . THR D 172 ? 0.4930 0.7131 0.5932 0.1292 -0.1428 -0.1259 175 THR D CG2 5778 N N . ASP D 173 ? 0.5619 0.7378 0.5831 0.1819 -0.1309 -0.0753 176 ASP D N 5779 C CA . ASP D 173 ? 0.6133 0.7787 0.5872 0.2126 -0.1237 -0.0549 176 ASP D CA 5780 C C . ASP D 173 ? 0.6160 0.8558 0.5908 0.2348 -0.1343 -0.0688 176 ASP D C 5781 O O . ASP D 173 ? 0.5839 0.8641 0.5917 0.2150 -0.1411 -0.0920 176 ASP D O 5782 C CB . ASP D 173 ? 0.6353 0.7459 0.5862 0.1945 -0.1092 -0.0386 176 ASP D CB 5783 C CG . ASP D 173 ? 0.6568 0.6979 0.5939 0.1750 -0.0955 -0.0247 176 ASP D CG 5784 O OD1 . ASP D 173 ? 0.6852 0.6993 0.6049 0.1894 -0.0914 -0.0165 176 ASP D OD1 5785 O OD2 . ASP D 173 ? 0.6546 0.6742 0.5984 0.1453 -0.0883 -0.0247 176 ASP D OD2 5786 N N . PRO D 174 ? 0.6613 0.9195 0.5962 0.2785 -0.1350 -0.0552 177 PRO D N 5787 C CA . PRO D 174 ? 0.6701 1.0097 0.6003 0.3033 -0.1466 -0.0681 177 PRO D CA 5788 C C . PRO D 174 ? 0.6852 1.0136 0.5957 0.2940 -0.1403 -0.0623 177 PRO D C 5789 O O . PRO D 174 ? 0.6739 1.0722 0.5985 0.2942 -0.1498 -0.0840 177 PRO D O 5790 C CB . PRO D 174 ? 0.7301 1.0744 0.6088 0.3608 -0.1468 -0.0454 177 PRO D CB 5791 C CG . PRO D 174 ? 0.7399 1.0193 0.6132 0.3617 -0.1371 -0.0316 177 PRO D CG 5792 C CD . PRO D 174 ? 0.7166 0.9208 0.6047 0.3109 -0.1245 -0.0279 177 PRO D CD 5793 N N . GLN D 175 ? 0.7146 0.9597 0.5927 0.2824 -0.1222 -0.0369 178 GLN D N 5794 C CA . GLN D 175 ? 0.7330 0.9666 0.5919 0.2691 -0.1121 -0.0323 178 GLN D CA 5795 C C . GLN D 175 ? 0.7245 0.8916 0.5907 0.2297 -0.0957 -0.0256 178 GLN D C 5796 O O . GLN D 175 ? 0.7408 0.8490 0.5963 0.2223 -0.0863 -0.0118 178 GLN D O 5797 C CB . GLN D 175 ? 0.8128 1.0286 0.5960 0.3086 -0.1023 -0.0045 178 GLN D CB 5798 C CG . GLN D 175 ? 0.8920 1.0138 0.6126 0.3294 -0.0828 0.0309 178 GLN D CG 5799 C CD . GLN D 175 ? 1.0005 1.0925 0.6341 0.3740 -0.0707 0.0617 178 GLN D CD 5800 O OE1 . GLN D 175 ? 1.0273 1.1745 0.6407 0.4246 -0.0862 0.0651 178 GLN D OE1 5801 N NE2 . GLN D 175 ? 1.0679 1.0743 0.6457 0.3557 -0.0415 0.0838 178 GLN D NE2 5802 N N . PRO D 176 ? 0.7026 0.8872 0.5888 0.2044 -0.0922 -0.0386 179 PRO D N 5803 C CA . PRO D 176 ? 0.6998 0.8392 0.5917 0.1700 -0.0767 -0.0344 179 PRO D CA 5804 C C . PRO D 176 ? 0.7743 0.8489 0.5968 0.1698 -0.0500 -0.0072 179 PRO D C 5805 O O . PRO D 176 ? 0.8284 0.8978 0.5982 0.1981 -0.0441 0.0081 179 PRO D O 5806 C CB . PRO D 176 ? 0.6651 0.8549 0.5958 0.1526 -0.0809 -0.0584 179 PRO D CB 5807 C CG . PRO D 176 ? 0.6791 0.9180 0.5935 0.1768 -0.0877 -0.0653 179 PRO D CG 5808 C CD . PRO D 176 ? 0.6840 0.9363 0.5895 0.2059 -0.1012 -0.0611 179 PRO D CD 5809 N N . LEU D 177 ? 0.7864 0.8110 0.6035 0.1376 -0.0321 -0.0021 180 LEU D N 5810 C CA . LEU D 177 ? 0.8707 0.8247 0.6175 0.1264 0.0006 0.0190 180 LEU D CA 5811 C C . LEU D 177 ? 0.8701 0.8444 0.6272 0.0868 0.0169 0.0054 180 LEU D C 5812 O O . LEU D 177 ? 0.8044 0.8316 0.6258 0.0637 0.0050 -0.0183 180 LEU D O 5813 C CB . LEU D 177 ? 0.9125 0.7857 0.6282 0.1162 0.0177 0.0336 180 LEU D CB 5814 C CG . LEU D 177 ? 0.8978 0.7547 0.6394 0.0662 0.0298 0.0204 180 LEU D CG 5815 C CD1 . LEU D 177 ? 0.9673 0.7286 0.6534 0.0592 0.0551 0.0370 180 LEU D CD1 5816 C CD2 . LEU D 177 ? 0.8058 0.7297 0.6295 0.0586 -0.0003 -0.0020 180 LEU D CD2 5817 N N . LYS D 178 ? 0.9495 0.8823 0.6391 0.0820 0.0452 0.0209 181 LYS D N 5818 C CA . LYS D 178 ? 0.9613 0.9155 0.6528 0.0420 0.0662 0.0068 181 LYS D CA 5819 C C . LYS D 178 ? 0.9735 0.8985 0.6716 -0.0087 0.0888 -0.0024 181 LYS D C 5820 O O . LYS D 178 ? 1.0461 0.8824 0.6850 -0.0207 0.1150 0.0150 181 LYS D O 5821 C CB . LYS D 178 ? 1.0547 0.9663 0.6616 0.0500 0.0935 0.0275 181 LYS D CB 5822 N N . GLU D 179 ? 0.9077 0.9097 0.6761 -0.0365 0.0790 -0.0319 182 GLU D N 5823 C CA . GLU D 179 ? 0.9121 0.9165 0.6972 -0.0859 0.0963 -0.0481 182 GLU D CA 5824 C C . GLU D 179 ? 1.0030 0.9651 0.7257 -0.1318 0.1435 -0.0481 182 GLU D C 5825 O O . GLU D 179 ? 1.0467 0.9709 0.7486 -0.1758 0.1699 -0.0544 182 GLU D O 5826 C CB . GLU D 179 ? 0.8240 0.9335 0.6991 -0.0931 0.0707 -0.0791 182 GLU D CB 5827 C CG . GLU D 179 ? 0.7598 0.8876 0.6859 -0.0618 0.0330 -0.0792 182 GLU D CG 5828 C CD . GLU D 179 ? 0.6954 0.9137 0.6985 -0.0572 0.0081 -0.1048 182 GLU D CD 5829 O OE1 . GLU D 179 ? 0.6954 0.9759 0.7209 -0.0719 0.0163 -0.1247 182 GLU D OE1 5830 O OE2 . GLU D 179 ? 0.6453 0.8701 0.6829 -0.0364 -0.0182 -0.1046 182 GLU D OE2 5831 N N . GLN D 180 ? 1.0385 1.0063 0.7279 -0.1253 0.1565 -0.0431 183 GLN D N 5832 C CA . GLN D 180 ? 1.1450 1.0519 0.7554 -0.1657 0.2064 -0.0368 183 GLN D CA 5833 C C . GLN D 180 ? 1.2201 1.0607 0.7473 -0.1257 0.2160 -0.0029 183 GLN D C 5834 O O . GLN D 180 ? 1.2172 1.1063 0.7437 -0.1178 0.2151 -0.0078 183 GLN D O 5835 C CB . GLN D 180 ? 1.1256 1.1240 0.7777 -0.2125 0.2213 -0.0722 183 GLN D CB 5836 C CG . GLN D 180 ? 1.0549 1.1376 0.7896 -0.2457 0.2092 -0.1072 183 GLN D CG 5837 C CD . GLN D 180 ? 1.1073 1.2178 0.8321 -0.3181 0.2519 -0.1360 183 GLN D CD 5838 O OE1 . GLN D 180 ? 1.1879 1.2647 0.8518 -0.3469 0.2913 -0.1337 183 GLN D OE1 5839 N NE2 . GLN D 180 ? 1.0643 1.2411 0.8467 -0.3498 0.2454 -0.1651 183 GLN D NE2 5840 N N . PRO D 181 ? 1.2925 1.0248 0.7468 -0.0970 0.2251 0.0310 184 PRO D N 5841 C CA . PRO D 181 ? 1.3620 1.0381 0.7383 -0.0419 0.2253 0.0669 184 PRO D CA 5842 C C . PRO D 181 ? 1.4699 1.1010 0.7590 -0.0586 0.2656 0.0804 184 PRO D C 5843 O O . PRO D 181 ? 1.5082 1.1340 0.7489 -0.0112 0.2576 0.1034 184 PRO D O 5844 C CB . PRO D 181 ? 1.4358 0.9951 0.7481 -0.0192 0.2381 0.0962 184 PRO D CB 5845 C CG . PRO D 181 ? 1.4558 0.9761 0.7748 -0.0841 0.2681 0.0776 184 PRO D CG 5846 C CD . PRO D 181 ? 1.3259 0.9808 0.7612 -0.1161 0.2401 0.0360 184 PRO D CD 5847 N N . ALA D 182 ? 1.5219 1.1260 0.7891 -0.1271 0.3094 0.0645 185 ALA D N 5848 C CA . ALA D 182 ? 1.6315 1.1886 0.8124 -0.1550 0.3550 0.0740 185 ALA D CA 5849 C C . ALA D 182 ? 1.5662 1.2416 0.7947 -0.1485 0.3356 0.0546 185 ALA D C 5850 O O . ALA D 182 ? 1.6517 1.2945 0.8024 -0.1426 0.3592 0.0724 185 ALA D O 5851 C CB . ALA D 182 ? 1.7028 1.2121 0.8558 -0.2398 0.4094 0.0536 185 ALA D CB 5852 N N . LEU D 183 ? 1.4234 1.2295 0.7735 -0.1473 0.2945 0.0189 186 LEU D N 5853 C CA . LEU D 183 ? 1.3585 1.2802 0.7638 -0.1451 0.2783 -0.0071 186 LEU D CA 5854 C C . LEU D 183 ? 1.3016 1.2703 0.7283 -0.0775 0.2334 0.0024 186 LEU D C 5855 O O . LEU D 183 ? 1.2448 1.2164 0.7075 -0.0389 0.1982 0.0091 186 LEU D O 5856 C CB . LEU D 183 ? 1.2527 1.2882 0.7720 -0.1807 0.2640 -0.0539 186 LEU D CB 5857 C CG . LEU D 183 ? 1.2787 1.3019 0.8047 -0.2476 0.2973 -0.0739 186 LEU D CG 5858 C CD1 . LEU D 183 ? 1.1631 1.3136 0.8091 -0.2586 0.2678 -0.1157 186 LEU D CD1 5859 C CD2 . LEU D 183 ? 1.3878 1.3790 0.8424 -0.3069 0.3554 -0.0797 186 LEU D CD2 5860 N N . ASN D 184 ? 1.3195 1.3302 0.7239 -0.0679 0.2369 -0.0007 187 ASN D N 5861 C CA . ASN D 184 ? 1.2744 1.3408 0.6944 -0.0114 0.1987 0.0017 187 ASN D CA 5862 C C . ASN D 184 ? 1.1386 1.3115 0.6786 0.0000 0.1562 -0.0354 187 ASN D C 5863 O O . ASN D 184 ? 1.0938 1.2996 0.6567 0.0435 0.1215 -0.0351 187 ASN D O 5864 C CB . ASN D 184 ? 1.3379 1.4239 0.6984 -0.0097 0.2170 0.0048 187 ASN D CB 5865 C CG . ASN D 184 ? 1.4877 1.4550 0.7103 -0.0026 0.2546 0.0508 187 ASN D CG 5866 O OD1 . ASN D 184 ? 1.5391 1.4188 0.7069 0.0290 0.2534 0.0855 187 ASN D OD1 5867 N ND2 . ASN D 184 ? 1.5654 1.5253 0.7264 -0.0300 0.2903 0.0517 187 ASN D ND2 5868 N N . ASP D 185 ? 1.0814 1.3079 0.6934 -0.0389 0.1610 -0.0683 188 ASP D N 5869 C CA . ASP D 185 ? 0.9698 1.2828 0.6870 -0.0269 0.1258 -0.1017 188 ASP D CA 5870 C C . ASP D 185 ? 0.9197 1.2224 0.6896 -0.0408 0.1157 -0.1069 188 ASP D C 5871 O O . ASP D 185 ? 0.8571 1.2269 0.7034 -0.0522 0.1049 -0.1368 188 ASP D O 5872 C CB . ASP D 185 ? 0.9441 1.3468 0.7071 -0.0454 0.1336 -0.1387 188 ASP D CB 5873 C CG . ASP D 185 ? 0.9802 1.3929 0.7392 -0.0992 0.1707 -0.1521 188 ASP D CG 5874 O OD1 . ASP D 185 ? 1.0586 1.3925 0.7474 -0.1276 0.2018 -0.1285 188 ASP D OD1 5875 O OD2 . ASP D 185 ? 0.9390 1.4401 0.7637 -0.1132 0.1708 -0.1886 188 ASP D OD2 5876 N N . SER D 186 ? 0.9526 1.1716 0.6774 -0.0358 0.1190 -0.0774 189 SER D N 5877 C CA . SER D 186 ? 0.9132 1.1148 0.6767 -0.0486 0.1103 -0.0796 189 SER D CA 5878 C C . SER D 186 ? 0.8198 1.0706 0.6606 -0.0170 0.0682 -0.0935 189 SER D C 5879 O O . SER D 186 ? 0.8018 1.0652 0.6448 0.0196 0.0465 -0.0904 189 SER D O 5880 C CB . SER D 186 ? 0.9824 1.0761 0.6722 -0.0447 0.1253 -0.0447 189 SER D CB 5881 O OG . SER D 186 ? 0.9434 1.0220 0.6697 -0.0569 0.1162 -0.0485 189 SER D OG 5882 N N . ARG D 187 ? 0.7685 1.0471 0.6677 -0.0330 0.0586 -0.1100 190 ARG D N 5883 C CA . ARG D 187 ? 0.6927 0.9990 0.6540 -0.0060 0.0233 -0.1193 190 ARG D CA 5884 C C . ARG D 187 ? 0.6961 0.9364 0.6328 0.0106 0.0122 -0.0948 190 ARG D C 5885 O O . ARG D 187 ? 0.7541 0.9275 0.6332 -0.0007 0.0324 -0.0728 190 ARG D O 5886 C CB . ARG D 187 ? 0.6493 1.0096 0.6738 -0.0228 0.0166 -0.1424 190 ARG D CB 5887 C CG . ARG D 187 ? 0.6377 1.0789 0.6975 -0.0328 0.0250 -0.1713 190 ARG D CG 5888 C CD . ARG D 187 ? 0.5813 1.0835 0.7124 -0.0187 0.0026 -0.1929 190 ARG D CD 5889 N NE . ARG D 187 ? 0.5849 1.1678 0.7482 -0.0412 0.0163 -0.2193 190 ARG D NE 5890 C CZ . ARG D 187 ? 0.5556 1.1981 0.7703 -0.0378 0.0032 -0.2359 190 ARG D CZ 5891 N NH1 . ARG D 187 ? 0.5220 1.1411 0.7561 -0.0139 -0.0227 -0.2258 190 ARG D NH1 5892 N NH2 . ARG D 187 ? 0.5619 1.2937 0.8069 -0.0574 0.0164 -0.2636 190 ARG D NH2 5893 N N . TYR D 188 ? 0.6417 0.8973 0.6190 0.0368 -0.0165 -0.1003 191 TYR D N 5894 C CA . TYR D 188 ? 0.6384 0.8461 0.5978 0.0553 -0.0282 -0.0816 191 TYR D CA 5895 C C . TYR D 188 ? 0.5965 0.7989 0.5970 0.0491 -0.0430 -0.0859 191 TYR D C 5896 O O . TYR D 188 ? 0.5605 0.8042 0.6096 0.0428 -0.0524 -0.1041 191 TYR D O 5897 C CB . TYR D 188 ? 0.6216 0.8519 0.5841 0.0881 -0.0468 -0.0853 191 TYR D CB 5898 C CG . TYR D 188 ? 0.6643 0.8994 0.5759 0.1019 -0.0360 -0.0768 191 TYR D CG 5899 C CD1 . TYR D 188 ? 0.7204 0.9065 0.5668 0.1205 -0.0276 -0.0486 191 TYR D CD1 5900 C CD2 . TYR D 188 ? 0.6518 0.9398 0.5761 0.1008 -0.0342 -0.0965 191 TYR D CD2 5901 C CE1 . TYR D 188 ? 0.7674 0.9574 0.5584 0.1393 -0.0188 -0.0372 191 TYR D CE1 5902 C CE2 . TYR D 188 ? 0.6963 0.9917 0.5686 0.1138 -0.0248 -0.0881 191 TYR D CE2 5903 C CZ . TYR D 188 ? 0.7538 1.0002 0.5579 0.1339 -0.0180 -0.0571 191 TYR D CZ 5904 O OH . TYR D 188 ? 0.8141 1.0665 0.5583 0.1526 -0.0096 -0.0451 191 TYR D OH 5905 N N . ALA D 189 ? 0.6086 0.7599 0.5850 0.0547 -0.0443 -0.0682 192 ALA D N 5906 C CA . ALA D 189 ? 0.5716 0.7132 0.5787 0.0516 -0.0587 -0.0699 192 ALA D CA 5907 C C . ALA D 189 ? 0.5658 0.6846 0.5623 0.0771 -0.0712 -0.0603 192 ALA D C 5908 O O . ALA D 189 ? 0.6009 0.6969 0.5541 0.0950 -0.0639 -0.0459 192 ALA D O 5909 C CB . ALA D 189 ? 0.5980 0.7043 0.5864 0.0216 -0.0417 -0.0630 192 ALA D CB 5910 N N . LEU D 190 ? 0.5258 0.6538 0.5593 0.0802 -0.0890 -0.0689 193 LEU D N 5911 C CA . LEU D 190 ? 0.5168 0.6364 0.5489 0.0986 -0.1000 -0.0664 193 LEU D CA 5912 C C . LEU D 190 ? 0.4983 0.5950 0.5476 0.0872 -0.1065 -0.0654 193 LEU D C 5913 O O . LEU D 190 ? 0.4773 0.5837 0.5551 0.0742 -0.1126 -0.0734 193 LEU D O 5914 C CB . LEU D 190 ? 0.4922 0.6567 0.5507 0.1119 -0.1134 -0.0860 193 LEU D CB 5915 C CG . LEU D 190 ? 0.4911 0.6697 0.5501 0.1276 -0.1229 -0.0915 193 LEU D CG 5916 C CD1 . LEU D 190 ? 0.5244 0.7232 0.5473 0.1526 -0.1201 -0.0838 193 LEU D CD1 5917 C CD2 . LEU D 190 ? 0.4683 0.6768 0.5639 0.1220 -0.1326 -0.1180 193 LEU D CD2 5918 N N . SER D 191 ? 0.5111 0.5801 0.5405 0.0957 -0.1050 -0.0554 194 SER D N 5919 C CA . SER D 191 ? 0.4981 0.5454 0.5391 0.0846 -0.1096 -0.0549 194 SER D CA 5920 C C . SER D 191 ? 0.4842 0.5453 0.5363 0.0983 -0.1193 -0.0624 194 SER D C 5921 O O . SER D 191 ? 0.4961 0.5761 0.5347 0.1204 -0.1195 -0.0626 194 SER D O 5922 C CB . SER D 191 ? 0.5332 0.5308 0.5400 0.0735 -0.0934 -0.0399 194 SER D CB 5923 O OG . SER D 191 ? 0.5746 0.5458 0.5430 0.0968 -0.0838 -0.0276 194 SER D OG 5924 N N . SER D 192 ? 0.4644 0.5206 0.5388 0.0848 -0.1266 -0.0698 195 SER D N 5925 C CA . SER D 192 ? 0.4552 0.5249 0.5413 0.0877 -0.1318 -0.0813 195 SER D CA 5926 C C . SER D 192 ? 0.4552 0.4931 0.5416 0.0711 -0.1311 -0.0772 195 SER D C 5927 O O . SER D 192 ? 0.4556 0.4722 0.5422 0.0572 -0.1317 -0.0702 195 SER D O 5928 C CB . SER D 192 ? 0.4412 0.5393 0.5523 0.0836 -0.1384 -0.1019 195 SER D CB 5929 O OG . SER D 192 ? 0.4356 0.5426 0.5570 0.0749 -0.1389 -0.1170 195 SER D OG 5930 N N . ARG D 193 ? 0.4574 0.5011 0.5440 0.0728 -0.1298 -0.0834 196 ARG D N 5931 C CA . ARG D 193 ? 0.4631 0.4777 0.5457 0.0564 -0.1271 -0.0802 196 ARG D CA 5932 C C . ARG D 193 ? 0.4568 0.4865 0.5536 0.0451 -0.1275 -0.0975 196 ARG D C 5933 O O . ARG D 193 ? 0.4548 0.5268 0.5617 0.0540 -0.1270 -0.1133 196 ARG D O 5934 C CB . ARG D 193 ? 0.4856 0.4751 0.5430 0.0641 -0.1171 -0.0681 196 ARG D CB 5935 C CG . ARG D 193 ? 0.5112 0.5149 0.5515 0.0956 -0.1118 -0.0645 196 ARG D CG 5936 C CD . ARG D 193 ? 0.5456 0.5366 0.5668 0.1048 -0.1078 -0.0519 196 ARG D CD 5937 N NE . ARG D 193 ? 0.6111 0.5761 0.5924 0.1325 -0.0951 -0.0376 196 ARG D NE 5938 C CZ . ARG D 193 ? 0.6424 0.6046 0.5984 0.1519 -0.0902 -0.0272 196 ARG D CZ 5939 N NH1 . ARG D 193 ? 0.7060 0.6290 0.6143 0.1809 -0.0757 -0.0106 196 ARG D NH1 5940 N NH2 . ARG D 193 ? 0.6186 0.6120 0.5915 0.1446 -0.0979 -0.0328 196 ARG D NH2 5941 N N . LEU D 194 ? 0.4603 0.4586 0.5551 0.0243 -0.1273 -0.0956 197 LEU D N 5942 C CA . LEU D 194 ? 0.4666 0.4635 0.5645 0.0058 -0.1218 -0.1099 197 LEU D CA 5943 C C . LEU D 194 ? 0.4763 0.4496 0.5591 -0.0042 -0.1167 -0.1016 197 LEU D C 5944 O O . LEU D 194 ? 0.4856 0.4272 0.5542 -0.0088 -0.1195 -0.0855 197 LEU D O 5945 C CB . LEU D 194 ? 0.4820 0.4474 0.5772 -0.0088 -0.1218 -0.1126 197 LEU D CB 5946 C CG . LEU D 194 ? 0.5069 0.4436 0.5894 -0.0347 -0.1111 -0.1210 197 LEU D CG 5947 C CD1 . LEU D 194 ? 0.5067 0.4852 0.6038 -0.0491 -0.1002 -0.1503 197 LEU D CD1 5948 C CD2 . LEU D 194 ? 0.5498 0.4331 0.6145 -0.0403 -0.1097 -0.1146 197 LEU D CD2 5949 N N . ARG D 195 ? 0.4768 0.4739 0.5638 -0.0082 -0.1087 -0.1158 198 ARG D N 5950 C CA . ARG D 195 ? 0.4879 0.4654 0.5607 -0.0182 -0.1014 -0.1116 198 ARG D CA 5951 C C . ARG D 195 ? 0.5049 0.4805 0.5764 -0.0464 -0.0919 -0.1267 198 ARG D C 5952 O O . ARG D 195 ? 0.5036 0.5217 0.5919 -0.0528 -0.0855 -0.1501 198 ARG D O 5953 C CB . ARG D 195 ? 0.4888 0.4899 0.5606 0.0064 -0.0964 -0.1131 198 ARG D CB 5954 C CG . ARG D 195 ? 0.4974 0.4655 0.5488 -0.0003 -0.0873 -0.1061 198 ARG D CG 5955 C CD . ARG D 195 ? 0.5040 0.4789 0.5462 0.0312 -0.0796 -0.1049 198 ARG D CD 5956 N NE . ARG D 195 ? 0.5275 0.4546 0.5433 0.0240 -0.0682 -0.0969 198 ARG D NE 5957 C CZ . ARG D 195 ? 0.5482 0.4565 0.5439 0.0497 -0.0556 -0.0942 198 ARG D CZ 5958 N NH1 . ARG D 195 ? 0.5743 0.4336 0.5439 0.0363 -0.0421 -0.0908 198 ARG D NH1 5959 N NH2 . ARG D 195 ? 0.5562 0.4927 0.5534 0.0907 -0.0553 -0.0951 198 ARG D NH2 5960 N N . VAL D 196 ? 0.5277 0.4573 0.5762 -0.0653 -0.0896 -0.1146 199 VAL D N 5961 C CA . VAL D 196 ? 0.5608 0.4728 0.5955 -0.0955 -0.0771 -0.1244 199 VAL D CA 5962 C C . VAL D 196 ? 0.5759 0.4754 0.5925 -0.1067 -0.0697 -0.1206 199 VAL D C 5963 O O . VAL D 196 ? 0.5667 0.4608 0.5781 -0.0930 -0.0746 -0.1090 199 VAL D O 5964 C CB . VAL D 196 ? 0.5938 0.4510 0.6048 -0.1081 -0.0784 -0.1126 199 VAL D CB 5965 C CG1 . VAL D 196 ? 0.5941 0.4608 0.6204 -0.1067 -0.0769 -0.1267 199 VAL D CG1 5966 C CG2 . VAL D 196 ? 0.5931 0.4221 0.5889 -0.0919 -0.0939 -0.0859 199 VAL D CG2 5967 N N . SER D 197 ? 0.6051 0.4977 0.6093 -0.1352 -0.0547 -0.1328 200 SER D N 5968 C CA . SER D 197 ? 0.6271 0.5050 0.6096 -0.1499 -0.0460 -0.1304 200 SER D CA 5969 C C . SER D 197 ? 0.6502 0.4751 0.5974 -0.1536 -0.0555 -0.1036 200 SER D C 5970 O O . SER D 197 ? 0.6719 0.4626 0.6027 -0.1532 -0.0628 -0.0894 200 SER D O 5971 C CB . SER D 197 ? 0.6582 0.5430 0.6327 -0.1840 -0.0250 -0.1514 200 SER D CB 5972 O OG . SER D 197 ? 0.7076 0.5360 0.6491 -0.2080 -0.0188 -0.1426 200 SER D OG 5973 N N . ALA D 198 ? 0.6521 0.4739 0.5861 -0.1551 -0.0548 -0.0989 201 ALA D N 5974 C CA . ALA D 198 ? 0.6688 0.4603 0.5720 -0.1585 -0.0656 -0.0782 201 ALA D CA 5975 C C . ALA D 198 ? 0.7141 0.4649 0.5796 -0.1729 -0.0659 -0.0643 201 ALA D C 5976 O O . ALA D 198 ? 0.7262 0.4588 0.5756 -0.1600 -0.0813 -0.0448 201 ALA D O 5977 C CB . ALA D 198 ? 0.6752 0.4701 0.5650 -0.1685 -0.0580 -0.0832 201 ALA D CB 5978 N N . THR D 199 ? 0.7463 0.4829 0.5948 -0.1979 -0.0470 -0.0749 202 THR D N 5979 C CA . THR D 199 ? 0.8121 0.4933 0.6109 -0.2142 -0.0402 -0.0605 202 THR D CA 5980 C C . THR D 199 ? 0.8311 0.4776 0.6252 -0.2015 -0.0440 -0.0512 202 THR D C 5981 O O . THR D 199 ? 0.8890 0.4799 0.6364 -0.1955 -0.0471 -0.0283 202 THR D O 5982 C CB . THR D 199 ? 0.8490 0.5211 0.6292 -0.2510 -0.0125 -0.0784 202 THR D CB 5983 O OG1 . THR D 199 ? 0.8252 0.5342 0.6463 -0.2595 0.0007 -0.1070 202 THR D OG1 5984 C CG2 . THR D 199 ? 0.8406 0.5397 0.6175 -0.2623 -0.0072 -0.0867 202 THR D CG2 5985 N N . PHE D 200 ? 0.7894 0.4679 0.6280 -0.1940 -0.0435 -0.0690 203 PHE D N 5986 C CA . PHE D 200 ? 0.8069 0.4565 0.6453 -0.1831 -0.0449 -0.0659 203 PHE D CA 5987 C C . PHE D 200 ? 0.7947 0.4385 0.6327 -0.1469 -0.0698 -0.0420 203 PHE D C 5988 O O . PHE D 200 ? 0.8407 0.4360 0.6525 -0.1333 -0.0715 -0.0280 203 PHE D O 5989 C CB . PHE D 200 ? 0.7649 0.4643 0.6519 -0.1861 -0.0385 -0.0949 203 PHE D CB 5990 C CG . PHE D 200 ? 0.7947 0.4622 0.6784 -0.1841 -0.0336 -0.0992 203 PHE D CG 5991 C CD1 . PHE D 200 ? 0.7635 0.4485 0.6728 -0.1526 -0.0519 -0.0931 203 PHE D CD1 5992 C CD2 . PHE D 200 ? 0.8636 0.4790 0.7146 -0.2171 -0.0070 -0.1114 203 PHE D CD2 5993 C CE1 . PHE D 200 ? 0.7954 0.4496 0.7007 -0.1504 -0.0455 -0.0997 203 PHE D CE1 5994 C CE2 . PHE D 200 ? 0.9015 0.4775 0.7442 -0.2180 0.0019 -0.1185 203 PHE D CE2 5995 C CZ . PHE D 200 ? 0.8686 0.4652 0.7397 -0.1828 -0.0182 -0.1128 203 PHE D CZ 5996 N N . TRP D 201 ? 0.7398 0.4323 0.6048 -0.1320 -0.0860 -0.0396 204 TRP D N 5997 C CA . TRP D 201 ? 0.7231 0.4280 0.5921 -0.1039 -0.1081 -0.0225 204 TRP D CA 5998 C C . TRP D 201 ? 0.7715 0.4514 0.5945 -0.0980 -0.1179 0.0004 204 TRP D C 5999 O O . TRP D 201 ? 0.7835 0.4668 0.5998 -0.0708 -0.1349 0.0157 204 TRP D O 6000 C CB . TRP D 201 ? 0.6654 0.4243 0.5706 -0.0985 -0.1158 -0.0307 204 TRP D CB 6001 C CG . TRP D 201 ? 0.6541 0.4357 0.5587 -0.0833 -0.1341 -0.0182 204 TRP D CG 6002 C CD1 . TRP D 201 ? 0.6531 0.4535 0.5446 -0.0932 -0.1388 -0.0156 204 TRP D CD1 6003 C CD2 . TRP D 201 ? 0.6474 0.4443 0.5661 -0.0583 -0.1485 -0.0111 204 TRP D CD2 6004 N NE1 . TRP D 201 ? 0.6497 0.4835 0.5482 -0.0786 -0.1555 -0.0093 204 TRP D NE1 6005 C CE2 . TRP D 201 ? 0.6445 0.4782 0.5609 -0.0552 -0.1621 -0.0058 204 TRP D CE2 6006 C CE3 . TRP D 201 ? 0.6423 0.4302 0.5760 -0.0401 -0.1499 -0.0123 204 TRP D CE3 6007 C CZ2 . TRP D 201 ? 0.6384 0.5074 0.5702 -0.0330 -0.1775 -0.0018 204 TRP D CZ2 6008 C CZ3 . TRP D 201 ? 0.6385 0.4526 0.5851 -0.0155 -0.1648 -0.0062 204 TRP D CZ3 6009 C CH2 . TRP D 201 ? 0.6321 0.4899 0.5792 -0.0113 -0.1788 -0.0011 204 TRP D CH2 6010 N N . GLN D 202 ? 0.8011 0.4633 0.5919 -0.1211 -0.1074 0.0016 205 GLN D N 6011 C CA . GLN D 202 ? 0.8471 0.4959 0.5901 -0.1165 -0.1175 0.0224 205 GLN D CA 6012 C C . GLN D 202 ? 0.9311 0.5077 0.6155 -0.1043 -0.1131 0.0451 205 GLN D C 6013 O O . GLN D 202 ? 0.9811 0.5469 0.6202 -0.0872 -0.1258 0.0677 205 GLN D O 6014 C CB . GLN D 202 ? 0.8468 0.5095 0.5768 -0.1463 -0.1076 0.0132 205 GLN D CB 6015 C CG . GLN D 202 ? 0.7911 0.5129 0.5600 -0.1500 -0.1144 -0.0019 205 GLN D CG 6016 C CD . GLN D 202 ? 0.7919 0.5211 0.5596 -0.1786 -0.0966 -0.0197 205 GLN D CD 6017 O OE1 . GLN D 202 ? 0.8203 0.5257 0.5764 -0.1966 -0.0778 -0.0273 205 GLN D OE1 6018 N NE2 . GLN D 202 ? 0.7646 0.5271 0.5434 -0.1846 -0.0995 -0.0294 205 GLN D NE2 6019 N N . ASN D 203 ? 0.9537 0.4804 0.6349 -0.1126 -0.0937 0.0380 206 ASN D N 6020 C CA . ASN D 203 ? 1.0445 0.4832 0.6659 -0.1002 -0.0830 0.0579 206 ASN D CA 6021 C C . ASN D 203 ? 1.0496 0.4889 0.6775 -0.0518 -0.1035 0.0730 206 ASN D C 6022 O O . ASN D 203 ? 0.9936 0.4639 0.6729 -0.0445 -0.1068 0.0568 206 ASN D O 6023 C CB . ASN D 203 ? 1.0704 0.4602 0.6891 -0.1350 -0.0502 0.0367 206 ASN D CB 6024 C CG . ASN D 203 ? 1.1792 0.4578 0.7279 -0.1287 -0.0302 0.0539 206 ASN D CG 6025 O OD1 . ASN D 203 ? 1.2521 0.4779 0.7389 -0.0989 -0.0379 0.0867 206 ASN D OD1 6026 N ND2 . ASN D 203 ? 1.1935 0.4352 0.7477 -0.1565 -0.0027 0.0305 206 ASN D ND2 6027 N N . PRO D 204 ? 1.1184 0.5299 0.6930 -0.0156 -0.1177 0.1035 207 PRO D N 6028 C CA . PRO D 204 ? 1.1310 0.5550 0.7101 0.0380 -0.1393 0.1181 207 PRO D CA 6029 C C . PRO D 204 ? 1.1981 0.5337 0.7526 0.0556 -0.1209 0.1215 207 PRO D C 6030 O O . PRO D 204 ? 1.1980 0.5473 0.7681 0.0988 -0.1351 0.1263 207 PRO D O 6031 C CB . PRO D 204 ? 1.1990 0.6208 0.7179 0.0716 -0.1578 0.1496 207 PRO D CB 6032 C CG . PRO D 204 ? 1.2005 0.6282 0.6968 0.0300 -0.1495 0.1473 207 PRO D CG 6033 C CD . PRO D 204 ? 1.1894 0.5687 0.6961 -0.0199 -0.1163 0.1254 207 PRO D CD 6034 N N . ARG D 205 ? 1.2601 0.5069 0.7750 0.0199 -0.0870 0.1158 208 ARG D N 6035 C CA . ARG D 205 ? 1.3325 0.4866 0.8209 0.0231 -0.0613 0.1113 208 ARG D CA 6036 C C . ARG D 205 ? 1.2445 0.4526 0.8104 0.0017 -0.0569 0.0745 208 ARG D C 6037 O O . ARG D 205 ? 1.2823 0.4412 0.8440 0.0119 -0.0432 0.0659 208 ARG D O 6038 C CB . ARG D 205 ? 1.4415 0.4803 0.8533 -0.0161 -0.0214 0.1147 208 ARG D CB 6039 N N . ASN D 206 ? 1.1367 0.4424 0.7674 -0.0255 -0.0676 0.0532 209 ASN D N 6040 C CA . ASN D 206 ? 1.0533 0.4217 0.7546 -0.0412 -0.0668 0.0210 209 ASN D CA 6041 C C . ASN D 206 ? 1.0000 0.4253 0.7452 0.0003 -0.0923 0.0231 209 ASN D C 6042 O O . ASN D 206 ? 0.9639 0.4472 0.7249 0.0247 -0.1180 0.0369 209 ASN D O 6043 C CB . ASN D 206 ? 0.9734 0.4173 0.7190 -0.0768 -0.0673 0.0006 209 ASN D CB 6044 C CG . ASN D 206 ? 1.0107 0.4211 0.7378 -0.1260 -0.0355 -0.0199 209 ASN D CG 6045 O OD1 . ASN D 206 ? 1.0760 0.4210 0.7752 -0.1433 -0.0101 -0.0307 209 ASN D OD1 6046 N ND2 . ASN D 206 ? 0.9765 0.4336 0.7187 -0.1512 -0.0340 -0.0290 209 ASN D ND2 6047 N N . HIS D 207 ? 1.0003 0.4127 0.7646 0.0038 -0.0825 0.0057 210 HIS D N 6048 C CA . HIS D 207 ? 0.9638 0.4199 0.7636 0.0422 -0.1012 0.0056 210 HIS D CA 6049 C C . HIS D 207 ? 0.8744 0.4075 0.7387 0.0237 -0.1035 -0.0226 210 HIS D C 6050 O O . HIS D 207 ? 0.8674 0.3984 0.7417 -0.0117 -0.0850 -0.0461 210 HIS D O 6051 C CB . HIS D 207 ? 1.0528 0.4226 0.8133 0.0690 -0.0869 0.0100 210 HIS D CB 6052 C CG . HIS D 207 ? 1.0137 0.4283 0.8137 0.1044 -0.1006 0.0026 210 HIS D CG 6053 N ND1 . HIS D 207 ? 1.0099 0.4617 0.8144 0.1544 -0.1254 0.0220 210 HIS D ND1 6054 C CD2 . HIS D 207 ? 0.9807 0.4171 0.8176 0.0959 -0.0925 -0.0243 210 HIS D CD2 6055 C CE1 . HIS D 207 ? 0.9797 0.4710 0.8230 0.1743 -0.1302 0.0072 210 HIS D CE1 6056 N NE2 . HIS D 207 ? 0.9624 0.4415 0.8237 0.1397 -0.1107 -0.0198 210 HIS D NE2 6057 N N . PHE D 208 ? 0.8132 0.4180 0.7183 0.0478 -0.1251 -0.0211 211 PHE D N 6058 C CA . PHE D 208 ? 0.7419 0.4133 0.6986 0.0368 -0.1272 -0.0431 211 PHE D CA 6059 C C . PHE D 208 ? 0.7305 0.4297 0.7105 0.0683 -0.1369 -0.0461 211 PHE D C 6060 O O . PHE D 208 ? 0.7441 0.4529 0.7185 0.1001 -0.1513 -0.0300 211 PHE D O 6061 C CB . PHE D 208 ? 0.6775 0.4118 0.6589 0.0235 -0.1380 -0.0415 211 PHE D CB 6062 C CG . PHE D 208 ? 0.6906 0.4028 0.6493 -0.0036 -0.1291 -0.0388 211 PHE D CG 6063 C CD1 . PHE D 208 ? 0.7239 0.4152 0.6500 0.0004 -0.1360 -0.0181 211 PHE D CD1 6064 C CD2 . PHE D 208 ? 0.6769 0.3981 0.6467 -0.0321 -0.1141 -0.0589 211 PHE D CD2 6065 C CE1 . PHE D 208 ? 0.7389 0.4104 0.6418 -0.0262 -0.1261 -0.0168 211 PHE D CE1 6066 C CE2 . PHE D 208 ? 0.6942 0.4017 0.6453 -0.0574 -0.1041 -0.0594 211 PHE D CE2 6067 C CZ . PHE D 208 ? 0.7248 0.4031 0.6413 -0.0557 -0.1092 -0.0379 211 PHE D CZ 6068 N N . ARG D 209 ? 0.7087 0.4284 0.7148 0.0596 -0.1287 -0.0689 212 ARG D N 6069 C CA . ARG D 209 ? 0.6975 0.4466 0.7270 0.0845 -0.1342 -0.0767 212 ARG D CA 6070 C C . ARG D 209 ? 0.6358 0.4497 0.7027 0.0698 -0.1345 -0.0957 212 ARG D C 6071 O O . ARG D 209 ? 0.6239 0.4434 0.6942 0.0439 -0.1244 -0.1112 212 ARG D O 6072 C CB . ARG D 209 ? 0.7703 0.4491 0.7741 0.0951 -0.1175 -0.0861 212 ARG D CB 6073 C CG . ARG D 209 ? 0.7790 0.4802 0.8016 0.1273 -0.1219 -0.0934 212 ARG D CG 6074 C CD . ARG D 209 ? 0.8949 0.5050 0.8772 0.1497 -0.1055 -0.0939 212 ARG D CD 6075 N NE . ARG D 209 ? 0.9492 0.5035 0.9141 0.1151 -0.0779 -0.1199 212 ARG D NE 6076 C CZ . ARG D 209 ? 0.9668 0.5209 0.9430 0.1118 -0.0645 -0.1478 212 ARG D CZ 6077 N NH1 . ARG D 209 ? 1.0099 0.5200 0.9689 0.0728 -0.0378 -0.1757 212 ARG D NH1 6078 N NH2 . ARG D 209 ? 0.9438 0.5462 0.9480 0.1439 -0.0758 -0.1512 212 ARG D NH2 6079 N N . CYS D 210 ? 0.6023 0.4697 0.6944 0.0876 -0.1455 -0.0946 213 CYS D N 6080 C CA . CYS D 210 ? 0.5592 0.4811 0.6768 0.0798 -0.1449 -0.1087 213 CYS D CA 6081 C C . CYS D 210 ? 0.5688 0.5013 0.6980 0.0963 -0.1415 -0.1237 213 CYS D C 6082 O O . CYS D 210 ? 0.5727 0.5209 0.7097 0.1196 -0.1485 -0.1178 213 CYS D O 6083 C CB . CYS D 210 ? 0.5170 0.4863 0.6466 0.0797 -0.1545 -0.0962 213 CYS D CB 6084 S SG . CYS D 210 ? 0.4931 0.5130 0.6375 0.0752 -0.1509 -0.1068 213 CYS D SG 6085 N N . GLN D 211 ? 0.5746 0.5061 0.7059 0.0834 -0.1302 -0.1466 214 GLN D N 6086 C CA . GLN D 211 ? 0.5943 0.5276 0.7321 0.0948 -0.1230 -0.1660 214 GLN D CA 6087 C C . GLN D 211 ? 0.5510 0.5538 0.7096 0.0925 -0.1258 -0.1780 214 GLN D C 6088 O O . GLN D 211 ? 0.5328 0.5650 0.6936 0.0757 -0.1246 -0.1870 214 GLN D O 6089 C CB . GLN D 211 ? 0.6511 0.5257 0.7687 0.0780 -0.1036 -0.1879 214 GLN D CB 6090 C CG . GLN D 211 ? 0.6869 0.5509 0.8054 0.0868 -0.0914 -0.2125 214 GLN D CG 6091 C CD . GLN D 211 ? 0.7732 0.5504 0.8591 0.0712 -0.0668 -0.2308 214 GLN D CD 6092 O OE1 . GLN D 211 ? 0.8318 0.5295 0.8862 0.0855 -0.0606 -0.2139 214 GLN D OE1 6093 N NE2 . GLN D 211 ? 0.7842 0.5751 0.8725 0.0409 -0.0507 -0.2666 214 GLN D NE2 6094 N N . VAL D 212 ? 0.5406 0.5733 0.7120 0.1118 -0.1294 -0.1780 215 VAL D N 6095 C CA . VAL D 212 ? 0.5092 0.6011 0.6922 0.1108 -0.1293 -0.1884 215 VAL D CA 6096 C C . VAL D 212 ? 0.5335 0.6303 0.7226 0.1204 -0.1203 -0.2130 215 VAL D C 6097 O O . VAL D 212 ? 0.5455 0.6409 0.7423 0.1415 -0.1204 -0.2119 215 VAL D O 6098 C CB . VAL D 212 ? 0.4773 0.6083 0.6665 0.1168 -0.1369 -0.1688 215 VAL D CB 6099 C CG1 . VAL D 212 ? 0.4610 0.6413 0.6511 0.1164 -0.1330 -0.1772 215 VAL D CG1 6100 C CG2 . VAL D 212 ? 0.4596 0.5798 0.6384 0.1051 -0.1419 -0.1483 215 VAL D CG2 6101 N N . GLN D 213 ? 0.5433 0.6516 0.7292 0.1051 -0.1118 -0.2383 216 GLN D N 6102 C CA . GLN D 213 ? 0.5670 0.6867 0.7564 0.1088 -0.1010 -0.2668 216 GLN D CA 6103 C C . GLN D 213 ? 0.5356 0.7240 0.7341 0.1171 -0.1061 -0.2650 216 GLN D C 6104 O O . GLN D 213 ? 0.5115 0.7435 0.7044 0.1091 -0.1114 -0.2606 216 GLN D O 6105 C CB . GLN D 213 ? 0.5905 0.7074 0.7719 0.0827 -0.0888 -0.2994 216 GLN D CB 6106 C CG . GLN D 213 ? 0.6188 0.7549 0.8017 0.0808 -0.0760 -0.3342 216 GLN D CG 6107 C CD . GLN D 213 ? 0.6816 0.7427 0.8553 0.0927 -0.0594 -0.3466 216 GLN D CD 6108 O OE1 . GLN D 213 ? 0.6886 0.7576 0.8701 0.1176 -0.0580 -0.3481 216 GLN D OE1 6109 N NE2 . GLN D 213 ? 0.7346 0.7194 0.8876 0.0762 -0.0444 -0.3557 216 GLN D NE2 6110 N N . PHE D 214 ? 0.5432 0.7401 0.7518 0.1358 -0.1032 -0.2677 217 PHE D N 6111 C CA . PHE D 214 ? 0.5211 0.7793 0.7347 0.1400 -0.1032 -0.2686 217 PHE D CA 6112 C C . PHE D 214 ? 0.5474 0.8241 0.7625 0.1410 -0.0912 -0.3024 217 PHE D C 6113 O O . PHE D 214 ? 0.5830 0.8267 0.8042 0.1539 -0.0820 -0.3191 217 PHE D O 6114 C CB . PHE D 214 ? 0.5078 0.7819 0.7352 0.1553 -0.1067 -0.2520 217 PHE D CB 6115 C CG . PHE D 214 ? 0.4925 0.8260 0.7232 0.1552 -0.1007 -0.2577 217 PHE D CG 6116 C CD1 . PHE D 214 ? 0.4732 0.8340 0.6846 0.1407 -0.1003 -0.2433 217 PHE D CD1 6117 C CD2 . PHE D 214 ? 0.5036 0.8614 0.7517 0.1715 -0.0929 -0.2772 217 PHE D CD2 6118 C CE1 . PHE D 214 ? 0.4767 0.8833 0.6818 0.1375 -0.0907 -0.2471 217 PHE D CE1 6119 C CE2 . PHE D 214 ? 0.4949 0.9104 0.7449 0.1674 -0.0846 -0.2845 217 PHE D CE2 6120 C CZ . PHE D 214 ? 0.4858 0.9234 0.7121 0.1479 -0.0826 -0.2689 217 PHE D CZ 6121 N N . TYR D 215 ? 0.5380 0.8655 0.7429 0.1303 -0.0904 -0.3120 218 TYR D N 6122 C CA . TYR D 215 ? 0.5612 0.9190 0.7652 0.1285 -0.0791 -0.3456 218 TYR D CA 6123 C C . TYR D 215 ? 0.5557 0.9582 0.7637 0.1398 -0.0753 -0.3421 218 TYR D C 6124 O O . TYR D 215 ? 0.5389 0.9780 0.7323 0.1364 -0.0792 -0.3225 218 TYR D O 6125 C CB . TYR D 215 ? 0.5605 0.9590 0.7487 0.1108 -0.0807 -0.3629 218 TYR D CB 6126 C CG . TYR D 215 ? 0.5760 0.9400 0.7643 0.0924 -0.0777 -0.3813 218 TYR D CG 6127 C CD1 . TYR D 215 ? 0.5551 0.9149 0.7397 0.0851 -0.0885 -0.3624 218 TYR D CD1 6128 C CD2 . TYR D 215 ? 0.6168 0.9477 0.8059 0.0798 -0.0602 -0.4198 218 TYR D CD2 6129 C CE1 . TYR D 215 ? 0.5767 0.9099 0.7614 0.0627 -0.0825 -0.3824 218 TYR D CE1 6130 C CE2 . TYR D 215 ? 0.6449 0.9379 0.8286 0.0550 -0.0516 -0.4395 218 TYR D CE2 6131 C CZ . TYR D 215 ? 0.6234 0.9223 0.8065 0.0451 -0.0630 -0.4212 218 TYR D CZ 6132 O OH . TYR D 215 ? 0.6566 0.9234 0.8343 0.0154 -0.0515 -0.4437 218 TYR D OH 6133 N N . GLY D 216 ? 0.5795 0.9744 0.8036 0.1541 -0.0650 -0.3612 219 GLY D N 6134 C CA . GLY D 216 ? 0.5794 1.0238 0.8125 0.1636 -0.0584 -0.3641 219 GLY D CA 6135 C C . GLY D 216 ? 0.6166 1.0750 0.8554 0.1709 -0.0427 -0.4030 219 GLY D C 6136 O O . GLY D 216 ? 0.6388 1.0948 0.8640 0.1577 -0.0363 -0.4291 219 GLY D O 6137 N N . LEU D 217 ? 0.6269 1.1062 0.8867 0.1914 -0.0357 -0.4099 220 LEU D N 6138 C CA . LEU D 217 ? 0.6666 1.1634 0.9336 0.2032 -0.0185 -0.4473 220 LEU D CA 6139 C C . LEU D 217 ? 0.7230 1.1452 0.9881 0.2176 -0.0083 -0.4716 220 LEU D C 6140 O O . LEU D 217 ? 0.7340 1.0903 0.9949 0.2236 -0.0147 -0.4559 220 LEU D O 6141 C CB . LEU D 217 ? 0.6601 1.2094 0.9536 0.2242 -0.0137 -0.4483 220 LEU D CB 6142 C CG . LEU D 217 ? 0.6384 1.2674 0.9274 0.2057 -0.0068 -0.4481 220 LEU D CG 6143 C CD1 . LEU D 217 ? 0.6089 1.2451 0.8757 0.1798 -0.0170 -0.4116 220 LEU D CD1 6144 C CD2 . LEU D 217 ? 0.6402 1.3237 0.9624 0.2263 0.0008 -0.4584 220 LEU D CD2 6145 N N . SER D 218 ? 0.7692 1.1963 1.0315 0.2211 0.0106 -0.5108 221 SER D N 6146 C CA . SER D 218 ? 0.8427 1.1880 1.0952 0.2343 0.0285 -0.5392 221 SER D CA 6147 C C . SER D 218 ? 0.8895 1.2435 1.1566 0.2710 0.0457 -0.5649 221 SER D C 6148 O O . SER D 218 ? 0.8578 1.2894 1.1488 0.2853 0.0413 -0.5592 221 SER D O 6149 C CB . SER D 218 ? 0.8685 1.1979 1.0956 0.1954 0.0402 -0.5714 221 SER D CB 6150 O OG . SER D 218 ? 0.8385 1.1489 1.0542 0.1694 0.0263 -0.5511 221 SER D OG 6151 N N . GLU D 219 ? 0.9733 1.2457 1.2235 0.2851 0.0681 -0.5949 222 GLU D N 6152 C CA . GLU D 219 ? 1.0346 1.2979 1.2941 0.3291 0.0872 -0.6205 222 GLU D CA 6153 C C . GLU D 219 ? 1.0205 1.3800 1.2946 0.3195 0.0971 -0.6512 222 GLU D C 6154 O O . GLU D 219 ? 1.0087 1.4314 1.3111 0.3517 0.0967 -0.6516 222 GLU D O 6155 C CB . GLU D 219 ? 1.1416 1.2784 1.3664 0.3401 0.1155 -0.6488 222 GLU D CB 6156 N N . ASN D 220 ? 1.0252 1.4038 1.2794 0.2744 0.1059 -0.6781 223 ASN D N 6157 C CA . ASN D 220 ? 1.0246 1.4878 1.2822 0.2610 0.1180 -0.7104 223 ASN D CA 6158 C C . ASN D 220 ? 0.9550 1.5276 1.2333 0.2581 0.1023 -0.6851 223 ASN D C 6159 O O . ASN D 220 ? 0.9565 1.6009 1.2370 0.2514 0.1142 -0.7086 223 ASN D O 6160 C CB . ASN D 220 ? 1.0404 1.5092 1.2678 0.2119 0.1266 -0.7420 223 ASN D CB 6161 N N . ASP D 221 ? 0.9031 1.4828 1.1921 0.2597 0.0791 -0.6392 224 ASP D N 6162 C CA . ASP D 221 ? 0.8483 1.5143 1.1512 0.2523 0.0683 -0.6132 224 ASP D CA 6163 C C . ASP D 221 ? 0.8487 1.5450 1.1898 0.2924 0.0692 -0.6096 224 ASP D C 6164 O O . ASP D 221 ? 0.8528 1.5027 1.2073 0.3215 0.0584 -0.5909 224 ASP D O 6165 C CB . ASP D 221 ? 0.7980 1.4546 1.0876 0.2284 0.0456 -0.5688 224 ASP D CB 6166 C CG . ASP D 221 ? 0.8027 1.4326 1.0590 0.1973 0.0413 -0.5724 224 ASP D CG 6167 O OD1 . ASP D 221 ? 0.8405 1.4819 1.0813 0.1847 0.0555 -0.6095 224 ASP D OD1 6168 O OD2 . ASP D 221 ? 0.7659 1.3706 1.0125 0.1853 0.0239 -0.5408 224 ASP D OD2 6169 N N . GLU D 222 ? 0.8483 1.6298 1.2058 0.2939 0.0822 -0.6290 225 GLU D N 6170 C CA . GLU D 222 ? 0.8508 1.6887 1.2501 0.3314 0.0848 -0.6344 225 GLU D CA 6171 C C . GLU D 222 ? 0.7985 1.6812 1.2147 0.3204 0.0671 -0.5973 225 GLU D C 6172 O O . GLU D 222 ? 0.7635 1.6630 1.1576 0.2770 0.0624 -0.5742 225 GLU D O 6173 C CB . GLU D 222 ? 0.8673 1.7912 1.2792 0.3305 0.1079 -0.6723 225 GLU D CB 6174 N N . TRP D 223 ? 0.8028 1.7033 1.2540 0.3619 0.0585 -0.5926 226 TRP D N 6175 C CA . TRP D 223 ? 0.7599 1.7119 1.2312 0.3518 0.0429 -0.5643 226 TRP D CA 6176 C C . TRP D 223 ? 0.7628 1.8233 1.2834 0.3838 0.0475 -0.5857 226 TRP D C 6177 O O . TRP D 223 ? 0.8051 1.8686 1.3470 0.4397 0.0518 -0.6091 226 TRP D O 6178 C CB . TRP D 223 ? 0.7537 1.6243 1.2157 0.3663 0.0202 -0.5304 226 TRP D CB 6179 C CG . TRP D 223 ? 0.7105 1.6231 1.1829 0.3430 0.0051 -0.5009 226 TRP D CG 6180 C CD1 . TRP D 223 ? 0.7053 1.6644 1.2100 0.3719 -0.0085 -0.4935 226 TRP D CD1 6181 C CD2 . TRP D 223 ? 0.6746 1.5868 1.1212 0.2867 0.0041 -0.4770 226 TRP D CD2 6182 N NE1 . TRP D 223 ? 0.6627 1.6508 1.1652 0.3304 -0.0166 -0.4699 226 TRP D NE1 6183 C CE2 . TRP D 223 ? 0.6475 1.5997 1.1124 0.2791 -0.0074 -0.4582 226 TRP D CE2 6184 C CE3 . TRP D 223 ? 0.6681 1.5500 1.0740 0.2455 0.0124 -0.4697 226 TRP D CE3 6185 C CZ2 . TRP D 223 ? 0.6196 1.5691 1.0609 0.2289 -0.0071 -0.4334 226 TRP D CZ2 6186 C CZ3 . TRP D 223 ? 0.6421 1.5221 1.0228 0.2034 0.0105 -0.4410 226 TRP D CZ3 6187 C CH2 . TRP D 223 ? 0.6199 1.5269 1.0173 0.1942 0.0027 -0.4236 226 TRP D CH2 6188 N N . THR D 224 ? 0.7260 1.8757 1.2624 0.3482 0.0487 -0.5795 227 THR D N 6189 C CA . THR D 224 ? 0.7250 2.0041 1.3115 0.3662 0.0562 -0.6066 227 THR D CA 6190 C C . THR D 224 ? 0.6909 2.0362 1.3026 0.3525 0.0418 -0.5898 227 THR D C 6191 O O . THR D 224 ? 0.6928 2.1448 1.3529 0.3839 0.0393 -0.6112 227 THR D O 6192 C CB . THR D 224 ? 0.7283 2.0885 1.3143 0.3268 0.0853 -0.6364 227 THR D CB 6193 O OG1 . THR D 224 ? 0.7086 2.0359 1.2478 0.2599 0.0925 -0.6121 227 THR D OG1 6194 C CG2 . THR D 224 ? 0.7706 2.1034 1.3486 0.3546 0.1011 -0.6677 227 THR D CG2 6195 N N . GLN D 225 ? 0.6644 1.9519 1.2435 0.3073 0.0329 -0.5545 228 GLN D N 6196 C CA . GLN D 225 ? 0.6360 1.9826 1.2307 0.2784 0.0252 -0.5415 228 GLN D CA 6197 C C . GLN D 225 ? 0.6328 1.9997 1.2605 0.3309 -0.0016 -0.5343 228 GLN D C 6198 O O . GLN D 225 ? 0.6576 1.9557 1.2818 0.3888 -0.0160 -0.5273 228 GLN D O 6199 C CB . GLN D 225 ? 0.6195 1.8869 1.1634 0.2184 0.0264 -0.5061 228 GLN D CB 6200 C CG . GLN D 225 ? 0.6331 1.8988 1.1378 0.1634 0.0546 -0.5097 228 GLN D CG 6201 C CD . GLN D 225 ? 0.6431 2.0334 1.1730 0.1323 0.0810 -0.5423 228 GLN D CD 6202 O OE1 . GLN D 225 ? 0.6330 2.0973 1.1886 0.1105 0.0826 -0.5486 228 GLN D OE1 6203 N NE2 . GLN D 225 ? 0.6648 2.0838 1.1865 0.1262 0.1034 -0.5663 228 GLN D NE2 6204 N N . ASP D 226 ? 0.6108 2.0710 1.2649 0.3081 -0.0061 -0.5370 229 ASP D N 6205 C CA . ASP D 226 ? 0.6096 2.1229 1.2979 0.3570 -0.0321 -0.5345 229 ASP D CA 6206 C C . ASP D 226 ? 0.6054 2.0016 1.2609 0.3698 -0.0569 -0.4926 229 ASP D C 6207 O O . ASP D 226 ? 0.6211 2.0245 1.2907 0.4275 -0.0800 -0.4848 229 ASP D O 6208 C CB . ASP D 226 ? 0.5891 2.2532 1.3162 0.3192 -0.0273 -0.5568 229 ASP D CB 6209 N N . ARG D 227 ? 0.5892 1.8809 1.1982 0.3187 -0.0514 -0.4658 230 ARG D N 6210 C CA . ARG D 227 ? 0.5867 1.7615 1.1620 0.3268 -0.0711 -0.4284 230 ARG D CA 6211 C C . ARG D 227 ? 0.6200 1.6887 1.1745 0.3766 -0.0753 -0.4223 230 ARG D C 6212 O O . ARG D 227 ? 0.6437 1.7211 1.2055 0.3984 -0.0612 -0.4465 230 ARG D O 6213 C CB . ARG D 227 ? 0.5644 1.6721 1.0981 0.2588 -0.0624 -0.4047 230 ARG D CB 6214 N N . ALA D 228 ? 0.6264 1.5938 1.1525 0.3904 -0.0915 -0.3926 231 ALA D N 6215 C CA . ALA D 228 ? 0.6659 1.5184 1.1639 0.4266 -0.0910 -0.3869 231 ALA D CA 6216 C C . ALA D 228 ? 0.6560 1.4439 1.1242 0.3839 -0.0744 -0.3899 231 ALA D C 6217 O O . ALA D 228 ? 0.6198 1.4069 1.0727 0.3306 -0.0718 -0.3770 231 ALA D O 6218 C CB . ALA D 228 ? 0.6822 1.4493 1.1548 0.4462 -0.1099 -0.3552 231 ALA D CB 6219 N N . LYS D 229 ? 0.6944 1.4300 1.1515 0.4095 -0.0622 -0.4081 232 LYS D N 6220 C CA . LYS D 229 ? 0.6910 1.3755 1.1200 0.3736 -0.0475 -0.4165 232 LYS D CA 6221 C C . LYS D 229 ? 0.6708 1.2738 1.0661 0.3402 -0.0571 -0.3878 232 LYS D C 6222 O O . LYS D 229 ? 0.6987 1.2228 1.0782 0.3604 -0.0652 -0.3738 232 LYS D O 6223 C CB . LYS D 229 ? 0.7510 1.3823 1.1710 0.4084 -0.0323 -0.4437 232 LYS D CB 6224 C CG . LYS D 229 ? 0.7542 1.3635 1.1513 0.3717 -0.0155 -0.4632 232 LYS D CG 6225 C CD . LYS D 229 ? 0.8205 1.3702 1.2057 0.4017 0.0028 -0.4944 232 LYS D CD 6226 N N . PRO D 230 ? 0.6299 1.2508 1.0104 0.2913 -0.0544 -0.3787 233 PRO D N 6227 C CA . PRO D 230 ? 0.6059 1.1684 0.9579 0.2613 -0.0638 -0.3517 233 PRO D CA 6228 C C . PRO D 230 ? 0.6272 1.1162 0.9525 0.2556 -0.0593 -0.3599 233 PRO D C 6229 O O . PRO D 230 ? 0.6109 1.0993 0.9146 0.2249 -0.0568 -0.3576 233 PRO D O 6230 C CB . PRO D 230 ? 0.5742 1.1861 0.9150 0.2201 -0.0577 -0.3431 233 PRO D CB 6231 C CG . PRO D 230 ? 0.5784 1.2757 0.9429 0.2230 -0.0440 -0.3661 233 PRO D CG 6232 C CD . PRO D 230 ? 0.6146 1.3108 0.9992 0.2646 -0.0398 -0.3937 233 PRO D CD 6233 N N . VAL D 231 ? 0.6705 1.0984 0.9936 0.2853 -0.0568 -0.3702 234 VAL D N 6234 C CA . VAL D 231 ? 0.7065 1.0640 1.0041 0.2751 -0.0466 -0.3867 234 VAL D CA 6235 C C . VAL D 231 ? 0.6869 0.9970 0.9629 0.2464 -0.0560 -0.3661 234 VAL D C 6236 O O . VAL D 231 ? 0.6522 0.9697 0.9310 0.2404 -0.0706 -0.3367 234 VAL D O 6237 C CB . VAL D 231 ? 0.7801 1.0655 1.0711 0.3139 -0.0347 -0.4036 234 VAL D CB 6238 C CG1 . VAL D 231 ? 0.8055 1.1369 1.1158 0.3441 -0.0213 -0.4321 234 VAL D CG1 6239 C CG2 . VAL D 231 ? 0.7994 1.0385 1.0876 0.3447 -0.0475 -0.3750 234 VAL D CG2 6240 N N . THR D 232 ? 0.7123 0.9801 0.9677 0.2266 -0.0460 -0.3856 235 THR D N 6241 C CA . THR D 232 ? 0.7048 0.9273 0.9418 0.2018 -0.0517 -0.3735 235 THR D CA 6242 C C . THR D 232 ? 0.7364 0.8832 0.9663 0.2224 -0.0548 -0.3542 235 THR D C 6243 O O . THR D 232 ? 0.7978 0.8885 1.0196 0.2500 -0.0425 -0.3657 235 THR D O 6244 C CB . THR D 232 ? 0.7364 0.9388 0.9553 0.1744 -0.0367 -0.4079 235 THR D CB 6245 O OG1 . THR D 232 ? 0.7097 0.9905 0.9310 0.1599 -0.0362 -0.4239 235 THR D OG1 6246 C CG2 . THR D 232 ? 0.7261 0.8969 0.9304 0.1465 -0.0415 -0.3998 235 THR D CG2 6247 N N . GLN D 233 ? 0.7021 0.8448 0.9300 0.2121 -0.0701 -0.3240 236 GLN D N 6248 C CA . GLN D 233 ? 0.7266 0.8102 0.9454 0.2323 -0.0764 -0.3004 236 GLN D CA 6249 C C . GLN D 233 ? 0.6977 0.7660 0.9065 0.2070 -0.0876 -0.2765 236 GLN D C 6250 O O . GLN D 233 ? 0.6471 0.7650 0.8623 0.1826 -0.0949 -0.2709 236 GLN D O 6251 C CB . GLN D 233 ? 0.7131 0.8423 0.9538 0.2680 -0.0879 -0.2853 236 GLN D CB 6252 C CG . GLN D 233 ? 0.6388 0.8563 0.9015 0.2508 -0.0999 -0.2729 236 GLN D CG 6253 C CD . GLN D 233 ? 0.6248 0.8955 0.9103 0.2774 -0.1103 -0.2622 236 GLN D CD 6254 O OE1 . GLN D 233 ? 0.6098 0.9527 0.9178 0.2822 -0.1068 -0.2752 236 GLN D OE1 6255 N NE2 . GLN D 233 ? 0.6350 0.8783 0.9143 0.2931 -0.1224 -0.2405 236 GLN D NE2 6256 N N . ILE D 234 ? 0.7386 0.7340 0.9271 0.2163 -0.0872 -0.2618 237 ILE D N 6257 C CA . ILE D 234 ? 0.7159 0.6939 0.8944 0.1971 -0.0973 -0.2381 237 ILE D CA 6258 C C . ILE D 234 ? 0.6996 0.7006 0.8870 0.2216 -0.1149 -0.2093 237 ILE D C 6259 O O . ILE D 234 ? 0.7426 0.7214 0.9250 0.2590 -0.1162 -0.2035 237 ILE D O 6260 C CB . ILE D 234 ? 0.7786 0.6596 0.9221 0.1851 -0.0825 -0.2416 237 ILE D CB 6261 C CG1 . ILE D 234 ? 0.7876 0.6636 0.9252 0.1481 -0.0650 -0.2752 237 ILE D CG1 6262 C CG2 . ILE D 234 ? 0.7646 0.6255 0.8963 0.1734 -0.0931 -0.2140 237 ILE D CG2 6263 C CD1 . ILE D 234 ? 0.8639 0.6400 0.9638 0.1291 -0.0412 -0.2891 237 ILE D CD1 6264 N N . VAL D 235 ? 0.6450 0.6929 0.8433 0.2021 -0.1273 -0.1931 238 VAL D N 6265 C CA . VAL D 235 ? 0.6301 0.7063 0.8358 0.2146 -0.1424 -0.1703 238 VAL D CA 6266 C C . VAL D 235 ? 0.6295 0.6675 0.8160 0.1946 -0.1477 -0.1509 238 VAL D C 6267 O O . VAL D 235 ? 0.6017 0.6435 0.7856 0.1649 -0.1452 -0.1515 238 VAL D O 6268 C CB . VAL D 235 ? 0.5780 0.7402 0.8091 0.2049 -0.1475 -0.1707 238 VAL D CB 6269 C CG1 . VAL D 235 ? 0.5678 0.7703 0.8097 0.2171 -0.1603 -0.1566 238 VAL D CG1 6270 C CG2 . VAL D 235 ? 0.5784 0.7816 0.8265 0.2158 -0.1386 -0.1932 238 VAL D CG2 6271 N N . SER D 236 ? 0.6673 0.6718 0.8379 0.2142 -0.1549 -0.1339 239 SER D N 6272 C CA . SER D 236 ? 0.6779 0.6383 0.8248 0.1961 -0.1575 -0.1168 239 SER D CA 6273 C C . SER D 236 ? 0.6703 0.6607 0.8168 0.2038 -0.1736 -0.0960 239 SER D C 6274 O O . SER D 236 ? 0.7002 0.7053 0.8456 0.2389 -0.1831 -0.0888 239 SER D O 6275 C CB . SER D 236 ? 0.7485 0.6132 0.8582 0.2023 -0.1444 -0.1166 239 SER D CB 6276 O OG . SER D 236 ? 0.7520 0.5907 0.8572 0.1694 -0.1285 -0.1359 239 SER D OG 6277 N N . ALA D 237 ? 0.6367 0.6400 0.7829 0.1727 -0.1763 -0.0884 240 ALA D N 6278 C CA . ALA D 237 ? 0.6380 0.6580 0.7763 0.1704 -0.1884 -0.0715 240 ALA D CA 6279 C C . ALA D 237 ? 0.6709 0.6215 0.7755 0.1576 -0.1846 -0.0592 240 ALA D C 6280 O O . ALA D 237 ? 0.6714 0.5835 0.7685 0.1360 -0.1720 -0.0669 240 ALA D O 6281 C CB . ALA D 237 ? 0.5859 0.6637 0.7424 0.1426 -0.1895 -0.0738 240 ALA D CB 6282 N N . GLU D 238 ? 0.7039 0.6466 0.7876 0.1702 -0.1950 -0.0422 241 GLU D N 6283 C CA . GLU D 238 ? 0.7482 0.6196 0.7924 0.1601 -0.1895 -0.0292 241 GLU D CA 6284 C C . GLU D 238 ? 0.7472 0.6398 0.7771 0.1525 -0.2015 -0.0139 241 GLU D C 6285 O O . GLU D 238 ? 0.7327 0.6916 0.7767 0.1661 -0.2168 -0.0114 241 GLU D O 6286 C CB . GLU D 238 ? 0.8284 0.6222 0.8357 0.1911 -0.1823 -0.0217 241 GLU D CB 6287 C CG . GLU D 238 ? 0.8752 0.6905 0.8739 0.2422 -0.1979 -0.0085 241 GLU D CG 6288 C CD . GLU D 238 ? 0.9890 0.7093 0.9266 0.2721 -0.1921 0.0122 241 GLU D CD 6289 O OE1 . GLU D 238 ? 1.0573 0.6898 0.9681 0.2737 -0.1706 0.0068 241 GLU D OE1 6290 O OE2 . GLU D 238 ? 1.0212 0.7522 0.9328 0.2931 -0.2071 0.0334 241 GLU D OE2 6291 N N . ALA D 239 ? 0.7658 0.6080 0.7682 0.1278 -0.1929 -0.0074 242 ALA D N 6292 C CA . ALA D 239 ? 0.7741 0.6261 0.7563 0.1158 -0.2008 0.0052 242 ALA D CA 6293 C C . ALA D 239 ? 0.8421 0.6111 0.7733 0.1120 -0.1909 0.0192 242 ALA D C 6294 O O . ALA D 239 ? 0.8679 0.5754 0.7863 0.0999 -0.1724 0.0125 242 ALA D O 6295 C CB . ALA D 239 ? 0.7155 0.6036 0.7202 0.0782 -0.1962 -0.0057 242 ALA D CB 6296 N N . TRP D 240 ? 0.8783 0.6491 0.7778 0.1193 -0.2015 0.0365 243 TRP D N 6297 C CA . TRP D 240 ? 0.9464 0.6402 0.7904 0.1098 -0.1905 0.0516 243 TRP D CA 6298 C C . TRP D 240 ? 0.9203 0.6385 0.7619 0.0729 -0.1899 0.0494 243 TRP D C 6299 O O . TRP D 240 ? 0.8707 0.6627 0.7402 0.0651 -0.2027 0.0428 243 TRP D O 6300 C CB . TRP D 240 ? 1.0309 0.6924 0.8238 0.1556 -0.2016 0.0778 243 TRP D CB 6301 C CG . TRP D 240 ? 1.0902 0.6954 0.8673 0.1945 -0.1948 0.0824 243 TRP D CG 6302 C CD1 . TRP D 240 ? 1.0756 0.7306 0.8852 0.2327 -0.2078 0.0769 243 TRP D CD1 6303 C CD2 . TRP D 240 ? 1.1810 0.6649 0.9020 0.1974 -0.1697 0.0909 243 TRP D CD2 6304 N NE1 . TRP D 240 ? 1.1512 0.7217 0.9290 0.2632 -0.1933 0.0820 243 TRP D NE1 6305 C CE2 . TRP D 240 ? 1.2212 0.6806 0.9418 0.2407 -0.1685 0.0906 243 TRP D CE2 6306 C CE3 . TRP D 240 ? 1.2423 0.6338 0.9108 0.1642 -0.1446 0.0964 243 TRP D CE3 6307 C CZ2 . TRP D 240 ? 1.3253 0.6610 0.9908 0.2518 -0.1415 0.0956 243 TRP D CZ2 6308 C CZ3 . TRP D 240 ? 1.3449 0.6170 0.9589 0.1706 -0.1169 0.1007 243 TRP D CZ3 6309 C CH2 . TRP D 240 ? 1.3882 0.6285 0.9991 0.2141 -0.1148 0.1005 243 TRP D CH2 6310 N N . GLY D 241 ? 0.9599 0.6139 0.7658 0.0476 -0.1718 0.0523 244 GLY D N 6311 C CA . GLY D 241 ? 0.9436 0.6125 0.7433 0.0127 -0.1671 0.0483 244 GLY D CA 6312 C C . GLY D 241 ? 0.9705 0.6683 0.7404 0.0224 -0.1842 0.0645 244 GLY D C 6313 O O . GLY D 241 ? 1.0343 0.7088 0.7624 0.0561 -0.1946 0.0864 244 GLY D O 6314 N N . ARG D 242 ? 0.9291 0.6773 0.7168 -0.0050 -0.1862 0.0527 245 ARG D N 6315 C CA . ARG D 242 ? 0.9475 0.7400 0.7127 -0.0042 -0.2018 0.0602 245 ARG D CA 6316 C C . ARG D 242 ? 0.9740 0.7387 0.7035 -0.0370 -0.1888 0.0603 245 ARG D C 6317 O O . ARG D 242 ? 0.9318 0.7031 0.6844 -0.0702 -0.1740 0.0412 245 ARG D O 6318 C CB . ARG D 242 ? 0.8861 0.7651 0.6972 -0.0141 -0.2124 0.0415 245 ARG D CB 6319 C CG . ARG D 242 ? 0.8736 0.8054 0.7144 0.0182 -0.2295 0.0410 245 ARG D CG 6320 C CD . ARG D 242 ? 0.8307 0.8444 0.7106 -0.0034 -0.2333 0.0188 245 ARG D CD 6321 N NE . ARG D 242 ? 0.7899 0.7826 0.6939 -0.0374 -0.2121 0.0018 245 ARG D NE 6322 C CZ . ARG D 242 ? 0.7553 0.7890 0.6888 -0.0575 -0.2058 -0.0167 245 ARG D CZ 6323 N NH1 . ARG D 242 ? 0.7485 0.8567 0.6982 -0.0550 -0.2180 -0.0258 245 ARG D NH1 6324 N NH2 . ARG D 242 ? 0.7312 0.7314 0.6748 -0.0791 -0.1855 -0.0269 245 ARG D NH2 6325 N N . ALA D 243 ? 1.0503 0.7834 0.7196 -0.0240 -0.1936 0.0826 246 ALA D N 6326 C CA . ALA D 243 ? 1.0847 0.8031 0.7135 -0.0535 -0.1842 0.0839 246 ALA D CA 6327 C C . ALA D 243 ? 1.0438 0.8441 0.6956 -0.0749 -0.1941 0.0656 246 ALA D C 6328 O O . ALA D 243 ? 1.0183 0.8190 0.6812 -0.1118 -0.1773 0.0468 246 ALA D O 6329 C CB . ALA D 243 ? 1.1824 0.8518 0.7335 -0.0290 -0.1893 0.1153 246 ALA D CB 6330 N N . ASP D 244 ? 1.0445 0.9158 0.7034 -0.0518 -0.2191 0.0681 247 ASP D N 6331 C CA . ASP D 244 ? 1.0159 0.9726 0.6949 -0.0758 -0.2275 0.0462 247 ASP D CA 6332 C C . ASP D 244 ? 1.0452 1.0015 0.6867 -0.1106 -0.2185 0.0393 247 ASP D C 6333 O O . ASP D 244 ? 1.0509 1.0786 0.6862 -0.1239 -0.2299 0.0268 247 ASP D O 6334 C CB . ASP D 244 ? 0.9442 0.9261 0.6844 -0.0978 -0.2164 0.0193 247 ASP D CB 6335 C CG . ASP D 244 ? 0.9204 0.9754 0.6969 -0.0773 -0.2346 0.0128 247 ASP D CG 6336 O OD1 . ASP D 244 ? 0.9459 1.0674 0.7075 -0.0583 -0.2572 0.0175 247 ASP D OD1 6337 O OD2 . ASP D 244 ? 0.8778 0.9307 0.6970 -0.0795 -0.2261 0.0018 247 ASP D OD2 6338 C C1 . NAG E . ? 0.6694 1.9244 0.9632 0.0346 0.1282 -0.1365 400 NAG A C1 6339 C C2 . NAG E . ? 0.6837 2.0844 1.0288 0.0175 0.1399 -0.1196 400 NAG A C2 6340 C C3 . NAG E . ? 0.7004 2.1313 1.0594 -0.0368 0.1575 -0.0925 400 NAG A C3 6341 C C4 . NAG E . ? 0.7192 2.0770 1.0313 -0.0270 0.1724 -0.0875 400 NAG A C4 6342 C C5 . NAG E . ? 0.7083 1.9260 0.9731 -0.0030 0.1563 -0.1096 400 NAG A C5 6343 C C6 . NAG E . ? 0.7236 1.8776 0.9408 0.0201 0.1678 -0.1096 400 NAG A C6 6344 C C7 . NAG E . ? 0.6722 2.2071 1.0827 0.0270 0.1164 -0.1299 400 NAG A C7 6345 C C8 . NAG E . ? 0.6618 2.2241 1.1068 -0.0026 0.0934 -0.1341 400 NAG A C8 6346 N N2 . NAG E . ? 0.6735 2.1115 1.0557 -0.0058 0.1207 -0.1235 400 NAG A N2 6347 O O3 . NAG E . ? 0.7057 2.2837 1.1084 -0.0396 0.1736 -0.0758 400 NAG A O3 6348 O O4 . NAG E . ? 0.7436 2.0901 1.0658 -0.0939 0.1780 -0.0631 400 NAG A O4 6349 O O5 . NAG E . ? 0.6912 1.9052 0.9496 0.0482 0.1436 -0.1321 400 NAG A O5 6350 O O6 . NAG E . ? 0.7304 1.9278 0.9303 0.0824 0.1770 -0.1201 400 NAG A O6 6351 O O7 . NAG E . ? 0.6789 2.2784 1.0856 0.0816 0.1287 -0.1334 400 NAG A O7 6352 C C1 . NAG F . ? 0.7742 2.1616 1.0870 -0.1010 0.2036 -0.0401 401 NAG A C1 6353 C C2 . NAG F . ? 0.7806 2.3297 1.1359 -0.0935 0.2243 -0.0233 401 NAG A C2 6354 C C3 . NAG F . ? 0.8159 2.4045 1.1587 -0.1086 0.2528 0.0054 401 NAG A C3 6355 C C4 . NAG F . ? 0.8309 2.3222 1.1083 -0.0675 0.2590 -0.0045 401 NAG A C4 6356 C C5 . NAG F . ? 0.8220 2.1581 1.0657 -0.0756 0.2340 -0.0238 401 NAG A C5 6357 C C6 . NAG F . ? 0.8340 2.0824 1.0174 -0.0306 0.2365 -0.0371 401 NAG A C6 6358 N N2 . NAG F . ? 0.7733 2.3988 1.1866 -0.1434 0.2142 -0.0127 401 NAG A N2 6359 O O3 . NAG F . ? 0.8233 2.5665 1.2001 -0.0879 0.2750 0.0187 401 NAG A O3 6360 O O4 . NAG F . ? 0.8668 2.3767 1.1298 -0.0949 0.2818 0.0253 401 NAG A O4 6361 O O5 . NAG F . ? 0.7899 2.1092 1.0498 -0.0578 0.2118 -0.0487 401 NAG A O5 6362 C C1 . NAG G . ? 0.7317 1.1453 0.8201 -0.2114 0.0553 -0.1332 314 NAG A C1 6363 C C2 . NAG G . ? 0.7438 1.2444 0.8625 -0.2403 0.0639 -0.1158 314 NAG A C2 6364 C C3 . NAG G . ? 0.7403 1.2915 0.8910 -0.2590 0.0509 -0.1225 314 NAG A C3 6365 C C4 . NAG G . ? 0.7681 1.2465 0.9031 -0.2771 0.0289 -0.1359 314 NAG A C4 6366 C C5 . NAG G . ? 0.7546 1.1470 0.8547 -0.2433 0.0259 -0.1505 314 NAG A C5 6367 C C6 . NAG G . ? 0.7845 1.0986 0.8603 -0.2586 0.0067 -0.1622 314 NAG A C6 6368 C C7 . NAG G . ? 0.7340 1.3412 0.8621 -0.2187 0.0989 -0.0911 314 NAG A C7 6369 C C8 . NAG G . ? 0.7819 1.3578 0.8986 -0.2682 0.1001 -0.0690 314 NAG A C8 6370 N N2 . NAG G . ? 0.7167 1.2856 0.8457 -0.2094 0.0817 -0.1111 314 NAG A N2 6371 O O3 . NAG G . ? 0.7589 1.3810 0.9374 -0.2986 0.0563 -0.1029 314 NAG A O3 6372 O O4 . NAG G . ? 0.7668 1.2984 0.9286 -0.2762 0.0173 -0.1472 314 NAG A O4 6373 O O5 . NAG G . ? 0.7582 1.1137 0.8354 -0.2350 0.0380 -0.1404 314 NAG A O5 6374 O O6 . NAG G . ? 0.8344 1.0866 0.8845 -0.2871 0.0043 -0.1508 314 NAG A O6 6375 O O7 . NAG G . ? 0.7213 1.3854 0.8535 -0.1866 0.1133 -0.0900 314 NAG A O7 6376 C C1 . NAG H . ? 0.8111 1.3445 0.9834 -0.3232 -0.0009 -0.1461 315 NAG A C1 6377 C C2 . NAG H . ? 0.8332 1.4434 1.0384 -0.3671 0.0053 -0.1233 315 NAG A C2 6378 C C3 . NAG H . ? 0.8819 1.4859 1.0969 -0.4223 -0.0179 -0.1222 315 NAG A C3 6379 C C4 . NAG H . ? 0.9262 1.4105 1.0968 -0.4318 -0.0402 -0.1384 315 NAG A C4 6380 C C5 . NAG H . ? 0.8925 1.3207 1.0338 -0.3765 -0.0391 -0.1599 315 NAG A C5 6381 C C6 . NAG H . ? 0.9364 1.2477 1.0294 -0.3797 -0.0560 -0.1735 315 NAG A C6 6382 N N2 . NAG H . ? 0.7932 1.5179 1.0378 -0.3439 0.0179 -0.1202 315 NAG A N2 6383 O O4 . NAG H . ? 0.9599 1.4576 1.1438 -0.4654 -0.0658 -0.1475 315 NAG A O4 6384 O O5 . NAG H . ? 0.8585 1.2899 0.9940 -0.3423 -0.0158 -0.1522 315 NAG A O5 6385 C C1 . NAG I . ? 0.5835 1.0690 0.8129 0.0061 0.1098 -0.0466 501 NAG A C1 6386 C C2 . NAG I . ? 0.5998 1.1223 0.8151 0.0156 0.1317 -0.0301 501 NAG A C2 6387 C C3 . NAG I . ? 0.6260 1.1268 0.8390 -0.0148 0.1304 -0.0064 501 NAG A C3 6388 C C4 . NAG I . ? 0.6377 1.1450 0.8916 -0.0544 0.1178 0.0129 501 NAG A C4 6389 C C5 . NAG I . ? 0.6135 1.0996 0.8855 -0.0571 0.0972 -0.0073 501 NAG A C5 6390 C C6 . NAG I . ? 0.6226 1.1385 0.9412 -0.0928 0.0861 0.0114 501 NAG A C6 6391 C C7 . NAG I . ? 0.6040 1.1272 0.7620 0.0821 0.1465 -0.0654 501 NAG A C7 6392 C C8 . NAG I . ? 0.6173 1.0996 0.7243 0.1092 0.1470 -0.0874 501 NAG A C8 6393 N N2 . NAG I . ? 0.6006 1.0974 0.7710 0.0482 0.1374 -0.0509 501 NAG A N2 6394 O O3 . NAG I . ? 0.6464 1.1898 0.8480 -0.0070 0.1522 0.0129 501 NAG A O3 6395 O O4 . NAG I . ? 0.6776 1.1303 0.9152 -0.0787 0.1082 0.0259 501 NAG A O4 6396 O O5 . NAG I . ? 0.5894 1.1035 0.8614 -0.0250 0.1026 -0.0273 501 NAG A O5 6397 O O6 . NAG I . ? 0.6010 1.1136 0.9361 -0.0877 0.0697 -0.0080 501 NAG A O6 6398 O O7 . NAG I . ? 0.5976 1.1743 0.7822 0.0926 0.1523 -0.0623 501 NAG A O7 6399 C C1 . NAG J . ? 0.7259 1.2142 0.9736 -0.1008 0.1219 0.0614 502 NAG A C1 6400 C C2 . NAG J . ? 0.7652 1.1921 1.0065 -0.1361 0.1045 0.0787 502 NAG A C2 6401 C C3 . NAG J . ? 0.8112 1.2665 1.0564 -0.1616 0.1190 0.1196 502 NAG A C3 6402 C C4 . NAG J . ? 0.8186 1.3105 1.0344 -0.1318 0.1459 0.1258 502 NAG A C4 6403 C C5 . NAG J . ? 0.7816 1.3366 1.0071 -0.0953 0.1611 0.1042 502 NAG A C5 6404 C C6 . NAG J . ? 0.7920 1.3700 0.9779 -0.0600 0.1833 0.1027 502 NAG A C6 6405 C C7 . NAG J . ? 0.7742 1.1088 1.0293 -0.1673 0.0573 0.0578 502 NAG A C7 6406 C C8 . NAG J . ? 0.7753 1.1026 1.0622 -0.1917 0.0342 0.0527 502 NAG A C8 6407 N N2 . NAG J . ? 0.7639 1.1759 1.0369 -0.1613 0.0820 0.0739 502 NAG A N2 6408 O O3 . NAG J . ? 0.8531 1.2325 1.0766 -0.1871 0.1016 0.1328 502 NAG A O3 6409 O O4 . NAG J . ? 0.8609 1.3933 1.0854 -0.1565 0.1623 0.1672 502 NAG A O4 6410 O O5 . NAG J . ? 0.7430 1.2537 0.9597 -0.0756 0.1439 0.0664 502 NAG A O5 6411 O O6 . NAG J . ? 0.7724 1.2959 0.9201 -0.0297 0.1732 0.0677 502 NAG A O6 6412 O O7 . NAG J . ? 0.7841 1.0584 0.9984 -0.1522 0.0521 0.0467 502 NAG A O7 6413 C C1 . DB3 K . ? 0.6265 0.7485 0.5648 0.0176 -0.0032 -0.2521 650 DB3 A C1 6414 C C2 . DB3 K . ? 0.6009 0.7329 0.5635 0.0192 0.0060 -0.2392 650 DB3 A C2 6415 N N2 . DB3 K . ? 0.6102 0.7284 0.5709 0.0304 0.0155 -0.2335 650 DB3 A N2 6416 C C3 . DB3 K . ? 0.5780 0.7371 0.5503 0.0270 0.0062 -0.2314 650 DB3 A C3 6417 O O3 . DB3 K . ? 0.5791 0.7615 0.5571 0.0184 -0.0030 -0.2372 650 DB3 A O3 6418 C C4 . DB3 K . ? 0.5562 0.7172 0.5453 0.0314 0.0120 -0.2202 650 DB3 A C4 6419 O O4 . DB3 K . ? 0.5552 0.7351 0.5469 0.0395 0.0080 -0.2162 650 DB3 A O4 6420 C C5 . DB3 K . ? 0.5364 0.6922 0.5387 0.0216 0.0128 -0.2213 650 DB3 A C5 6421 C C6 . DB3 K . ? 0.5143 0.6758 0.5276 0.0285 0.0134 -0.2146 650 DB3 A C6 6422 C C7 . DB3 K . ? 0.5049 0.6460 0.5214 0.0325 0.0173 -0.2069 650 DB3 A C7 6423 C C8 . DB3 K . ? 0.4987 0.6335 0.5226 0.0332 0.0154 -0.2064 650 DB3 A C8 6424 C C9 . DB3 K . ? 0.5054 0.6280 0.5285 0.0422 0.0115 -0.1993 650 DB3 A C9 6425 C C10 . DB3 K . ? 0.5117 0.6446 0.5294 0.0545 0.0061 -0.2022 650 DB3 A C10 6426 C C11 . DB3 K . ? 0.5215 0.6316 0.5346 0.0633 -0.0001 -0.2017 650 DB3 A C11 6427 C C12 . DB3 K . ? 0.5511 0.6414 0.5515 0.0752 -0.0075 -0.1952 650 DB3 A C12 6428 C C13 . DB3 K . ? 0.5722 0.6584 0.5597 0.0962 -0.0153 -0.2019 650 DB3 A C13 6429 C C14 . DB3 K . ? 0.5765 0.6911 0.5587 0.1119 -0.0163 -0.2035 650 DB3 A C14 6430 C C15 . DB3 K . ? 0.5997 0.7104 0.5659 0.1398 -0.0246 -0.2099 650 DB3 A C15 6431 C C16 . DB3 K . ? 0.5823 0.7519 0.5573 0.1524 -0.0210 -0.2166 650 DB3 A C16 6432 C C17 . DB3 K . ? 0.6158 0.7855 0.5716 0.1882 -0.0298 -0.2219 650 DB3 A C17 6433 C C18 . DB3 K . ? 0.6004 0.8429 0.5717 0.2005 -0.0247 -0.2285 650 DB3 A C18 6434 C C1A . DB3 K . ? 0.6522 0.7759 0.5486 0.0375 -0.0109 -0.2636 650 DB3 A C1A 6435 O O1A . DB3 K . ? 0.6320 0.7587 0.5534 0.0359 0.0003 -0.2509 650 DB3 A O1A 6436 C C2A . DB3 K . ? 0.6529 0.7942 0.5353 0.0574 -0.0059 -0.2574 650 DB3 A C2A 6437 O O2A . DB3 K . ? 0.6348 0.8018 0.5372 0.0578 -0.0036 -0.2444 650 DB3 A O2A 6438 C C3A . DB3 K . ? 0.6514 0.7857 0.5249 0.0742 0.0092 -0.2497 650 DB3 A C3A 6439 O O3A . DB3 K . ? 0.6636 0.8155 0.5203 0.0908 0.0149 -0.2416 650 DB3 A O3A 6440 C C4A . DB3 K . ? 0.6869 0.7910 0.5362 0.0802 0.0064 -0.2647 650 DB3 A C4A 6441 O O4A . DB3 K . ? 0.7377 0.8322 0.5503 0.0898 -0.0042 -0.2798 650 DB3 A O4A 6442 O O5A . DB3 K . ? 0.7248 0.7329 0.5576 0.0432 -0.0202 -0.2937 650 DB3 A O5A 6443 C C5M . DB3 K . ? 0.6820 0.7605 0.5418 0.0603 -0.0022 -0.2724 650 DB3 A C5M 6444 C C6A . DB3 K . ? 0.7227 0.7587 0.5502 0.0667 -0.0094 -0.2885 650 DB3 A C6A 6445 O O6A . DB3 K . ? 0.6843 0.7721 0.5542 0.0398 -0.0152 -0.2765 650 DB3 A O6A 6446 C CAA . DB3 K . ? 0.6293 0.7237 0.5814 0.0319 0.0171 -0.2380 650 DB3 A CAA 6447 O OAA . DB3 K . ? 0.6508 0.7218 0.5906 0.0230 0.0102 -0.2471 650 DB3 A OAA 6448 C CAB . DB3 K . ? 0.6216 0.7193 0.5794 0.0457 0.0272 -0.2298 650 DB3 A CAB 6449 C CAC . DB3 K . ? 0.6137 0.6983 0.5832 0.0418 0.0279 -0.2278 650 DB3 A CAC 6450 C CAD . DB3 K . ? 0.5895 0.6899 0.5842 0.0382 0.0310 -0.2159 650 DB3 A CAD 6451 C CAE . DB3 K . ? 0.5895 0.6762 0.5917 0.0327 0.0283 -0.2162 650 DB3 A CAE 6452 C CAF . DB3 K . ? 0.5805 0.6774 0.6030 0.0314 0.0284 -0.2071 650 DB3 A CAF 6453 C CAG . DB3 K . ? 0.5778 0.6647 0.6024 0.0250 0.0237 -0.2090 650 DB3 A CAG 6454 C CAH . DB3 K . ? 0.5850 0.6602 0.6109 0.0282 0.0220 -0.2089 650 DB3 A CAH 6455 C CAI . DB3 K . ? 0.5851 0.6561 0.6150 0.0254 0.0171 -0.2078 650 DB3 A CAI 6456 C CAJ . DB3 K . ? 0.6016 0.6550 0.6174 0.0241 0.0158 -0.2104 650 DB3 A CAJ 6457 C CAK . DB3 K . ? 0.6070 0.6628 0.6145 0.0152 0.0176 -0.2113 650 DB3 A CAK 6458 C CAL . DB3 K . ? 0.6219 0.6671 0.6166 0.0101 0.0182 -0.2098 650 DB3 A CAL 6459 C CAM . DB3 K . ? 0.6416 0.6630 0.6237 0.0151 0.0153 -0.2079 650 DB3 A CAM 6460 C CAN . DB3 K . ? 0.6662 0.6611 0.6324 0.0126 0.0148 -0.2089 650 DB3 A CAN 6461 C CAO . DB3 K . ? 0.6852 0.6530 0.6348 0.0198 0.0113 -0.2072 650 DB3 A CAO 6462 C CAP . DB3 K . ? 0.7142 0.6454 0.6406 0.0214 0.0084 -0.2097 650 DB3 A CAP 6463 C CAQ . DB3 K . ? 0.7256 0.6388 0.6420 0.0427 0.0033 -0.2104 650 DB3 A CAQ 6464 C CAR . DB3 K . ? 0.6917 0.6337 0.6297 0.0599 0.0040 -0.2151 650 DB3 A CAR 6465 C CAS . DB3 K . ? 0.7032 0.6386 0.6354 0.0829 -0.0014 -0.2155 650 DB3 A CAS 6466 C CAT . DB3 K . ? 0.6882 0.6588 0.6417 0.0991 0.0014 -0.2185 650 DB3 A CAT 6467 O O . HOH L . ? 0.6352 0.6566 0.5342 0.3247 -0.0197 -0.2433 303 HOH A O 6468 O O . HOH L . ? 0.6793 1.1467 0.8207 -0.1559 0.1752 0.2062 304 HOH A O 6469 O O . HOH L . ? 0.5474 0.9342 0.6590 -0.2601 -0.0286 -0.1948 305 HOH A O 6470 O O . HOH L . ? 0.5799 0.3603 0.3903 -0.0135 0.0139 0.0325 306 HOH A O 6471 O O . HOH L . ? 0.6167 0.4300 0.4182 -0.1022 -0.0098 0.0602 307 HOH A O 6472 O O . HOH L . ? 1.0000 0.4728 0.7984 0.0152 -0.1782 -0.1036 308 HOH A O 6473 O O . HOH L . ? 0.6406 0.6987 0.5939 -0.0899 0.0339 -0.1751 309 HOH A O 6474 O O . HOH L . ? 0.8359 0.3678 0.5716 0.0884 -0.1880 0.1478 310 HOH A O 6475 O O . HOH L . ? 0.5263 0.8991 0.5552 0.0159 -0.0433 -0.2492 311 HOH A O 6476 O O . HOH L . ? 0.5169 1.0236 0.4027 0.4394 0.0136 -0.2902 312 HOH A O 6477 O O . HOH L . ? 1.0093 0.4482 0.6747 0.1697 -0.1743 -0.1049 313 HOH A O 6478 O O . HOH L . ? 0.4914 0.9034 0.8071 -0.0791 0.0265 -0.0555 316 HOH A O 6479 O O . HOH L . ? 0.7078 0.5025 0.5314 -0.0249 -0.0066 0.0568 317 HOH A O 6480 O O . HOH L . ? 0.8469 0.5319 0.6309 0.1712 -0.1699 -0.2955 318 HOH A O 6481 O O . HOH M . ? 0.6232 0.9028 0.6918 0.1233 -0.0202 -0.0070 100 HOH B O 6482 O O . HOH M . ? 0.8905 0.9239 0.5335 -0.3464 0.0377 0.1060 101 HOH B O 6483 O O . HOH M . ? 0.8445 0.3132 0.5377 -0.1194 -0.0250 0.1149 102 HOH B O 6484 O O . HOH M . ? 0.5289 0.4700 0.4611 0.0144 0.0154 -0.1354 103 HOH B O 6485 O O . HOH N . ? 0.6716 0.9003 0.6831 0.1952 -0.2809 -0.0140 211 HOH C O 6486 O O . HOH N . ? 0.6842 0.1085 0.4349 -0.0303 -0.0867 -0.1670 212 HOH C O 6487 O O . HOH N . ? 0.5766 0.7107 0.4002 0.1568 -0.0150 -0.0592 213 HOH C O 6488 O O . HOH N . ? 0.6674 0.6468 0.5171 -0.2416 0.0991 0.0842 214 HOH C O 6489 O O . HOH N . ? 1.0198 0.6417 0.5009 0.0073 0.1940 0.0484 215 HOH C O 6490 O O . HOH N . ? 0.4481 1.4217 0.7748 0.2489 -0.0402 -0.3952 216 HOH C O 6491 O O . HOH N . ? 0.6209 0.5454 0.4485 0.0739 0.0262 -0.1723 217 HOH C O 6492 O O . HOH N . ? 0.4889 0.4275 0.5169 0.0253 0.0522 -0.0854 218 HOH C O 6493 O O . HOH N . ? 0.5269 0.7854 0.5649 -0.2455 0.1438 -0.1775 219 HOH C O 6494 O O . HOH N . ? 0.9188 0.4060 0.8623 0.3405 -0.0943 -0.0005 220 HOH C O 6495 O O . HOH N . ? 1.0365 0.8055 0.6954 -0.5272 0.1028 -0.0692 221 HOH C O 6496 O O . HOH O . ? 0.8431 0.5602 0.5978 0.1794 -0.1904 0.1174 248 HOH D O 6497 O O . HOH O . ? 0.7909 0.6277 0.5996 -0.1228 -0.1566 -0.0015 249 HOH D O 6498 O O . HOH O . ? 1.1359 0.4409 0.7544 -0.5327 0.1162 -0.2306 250 HOH D O 6499 O O . HOH O . ? 0.7838 0.4185 0.5922 -0.0140 -0.0252 0.0101 251 HOH D O 6500 O O . HOH O . ? 0.5156 0.8528 0.5712 -0.0432 -0.0206 -0.3429 252 HOH D O 6501 O O . HOH O . ? 0.6194 0.6075 0.5257 -0.1417 -0.1610 -0.0481 253 HOH D O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 ? ? ? A . n A 1 2 GLU 2 2 ? ? ? A . n A 1 3 ALA 3 3 ? ? ? A . n A 1 4 GLN 4 4 ? ? ? A . n A 1 5 GLN 5 5 ? ? ? A . n A 1 6 LYS 6 6 ? ? ? A . n A 1 7 ASN 7 7 7 ASN ASN A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 ARG 11 11 11 ARG ARG A . n A 1 12 CYS 12 12 12 CYS CYS A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 GLN 14 14 14 GLN GLN A . n A 1 15 MET 15 15 15 MET MET A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 PHE 18 18 18 PHE PHE A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TRP 23 23 23 TRP TRP A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLY 33 33 33 GLY GLY A . n A 1 34 ASP 34 34 34 ASP ASP A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 TRP 53 53 53 TRP TRP A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 TRP 63 63 63 TRP TRP A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 GLN 67 67 67 GLN GLN A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 MET 69 69 69 MET MET A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 TYR 73 73 73 TYR TYR A . n A 1 74 ARG 74 74 74 ARG ARG A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 ARG 79 79 79 ARG ARG A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 GLN 82 82 82 GLN GLN A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 LEU 84 84 84 LEU LEU A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 LYS 86 86 86 LYS LYS A . n A 1 87 MET 87 87 87 MET MET A . n A 1 88 MET 88 88 88 MET MET A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 GLU 92 92 92 GLU GLU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 GLN 99 99 99 GLN GLN A . n A 1 100 LEU 100 100 100 LEU LEU A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 CYS 104 104 104 CYS CYS A . n A 1 105 GLU 105 105 105 GLU GLU A . n A 1 106 MET 106 106 106 MET MET A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 PRO 108 108 ? ? ? A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 PHE 115 115 115 PHE PHE A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 PHE 120 120 120 PHE PHE A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 PHE 128 128 128 PHE PHE A . n A 1 129 TRP 129 129 129 TRP TRP A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 TRP 133 133 133 TRP TRP A . n A 1 134 GLN 134 134 134 GLN GLN 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 PRO 137 137 137 PRO PRO A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 TRP 142 142 142 TRP TRP A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 ASP 144 144 144 ASP ASP A . n A 1 145 LEU 145 145 145 LEU LEU A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 LYS 148 148 148 LYS LYS A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 LEU 150 150 150 LEU LEU A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 ALA 152 152 152 ALA ALA A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 THR 156 156 156 THR THR A . n A 1 157 SER 157 157 157 SER SER A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 THR 159 159 159 THR THR A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 MET 162 162 162 MET MET A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 ASP 166 166 166 ASP ASP A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 CYS 168 168 168 CYS CYS A . n A 1 169 PRO 169 169 169 PRO PRO A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 PHE 171 171 171 PHE PHE A . n A 1 172 VAL 172 172 172 VAL VAL A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 LEU 176 176 176 LEU LEU A . n A 1 177 GLU 177 177 177 GLU GLU A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 GLU 184 184 184 GLU GLU A . n A 1 185 LYS 185 185 185 LYS LYS A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 LYS 188 188 188 LYS LYS A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 ALA 191 191 191 ALA ALA A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 LEU 193 193 193 LEU LEU A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SER 198 198 198 SER SER A . n A 1 199 SER 199 199 199 SER SER A . n A 1 200 ALA 200 200 200 ALA ALA A . n A 1 201 HIS 201 201 201 HIS HIS A . n A 1 202 GLY 202 202 202 GLY GLY A . n A 1 203 HIS 203 203 203 HIS HIS A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 GLN 205 205 205 GLN GLN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 CYS 208 208 208 CYS CYS A . n A 1 209 HIS 209 209 209 HIS HIS A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 SER 211 211 211 SER SER A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 PHE 213 213 213 PHE PHE A . n A 1 214 TYR 214 214 214 TYR TYR A . n A 1 215 PRO 215 215 215 PRO PRO A . n A 1 216 LYS 216 216 216 LYS LYS A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 TRP 219 219 219 TRP TRP A . n A 1 220 VAL 220 220 220 VAL VAL A . n A 1 221 MET 221 221 221 MET MET A . n A 1 222 TRP 222 222 222 TRP TRP A . n A 1 223 MET 223 223 223 MET MET A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 ASP 226 226 226 ASP ASP A . n A 1 227 GLN 227 227 227 GLN GLN A . n A 1 228 GLU 228 228 228 GLU GLU A . n A 1 229 GLN 229 229 229 GLN GLN A . n A 1 230 GLN 230 230 230 GLN GLN A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 THR 232 232 232 THR THR A . n A 1 233 HIS 233 233 233 HIS HIS A . n A 1 234 ARG 234 234 234 ARG ARG A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 ASP 236 236 236 ASP ASP A . n A 1 237 PHE 237 237 237 PHE PHE A . n A 1 238 LEU 238 238 238 LEU LEU A . n A 1 239 PRO 239 239 239 PRO PRO A . n A 1 240 ASN 240 240 240 ASN ASN A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 ASP 242 242 242 ASP ASP A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 TRP 245 245 245 TRP TRP A . n A 1 246 TYR 246 246 246 TYR TYR A . n A 1 247 LEU 247 247 247 LEU LEU A . n A 1 248 GLN 248 248 248 GLN GLN A . n A 1 249 ALA 249 249 249 ALA ALA A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ASP 252 252 252 ASP ASP A . n A 1 253 VAL 253 253 253 VAL VAL A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 ALA 255 255 255 ALA ALA A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 ALA 259 259 259 ALA ALA A . n A 1 260 GLY 260 260 260 GLY GLY A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 ALA 262 262 262 ALA ALA A . n A 1 263 CYS 263 263 263 CYS CYS A . n A 1 264 ARG 264 264 264 ARG ARG A . n A 1 265 VAL 265 265 265 VAL VAL A . n A 1 266 LYS 266 266 266 LYS LYS A . n A 1 267 HIS 267 267 267 HIS HIS A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 SER 269 269 269 SER SER A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 GLY 271 271 271 GLY GLY A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 GLN 273 273 273 GLN GLN A . n A 1 274 ASP 274 274 274 ASP ASP A . n A 1 275 ILE 275 275 275 ILE ILE A . n A 1 276 ILE 276 276 276 ILE ILE A . n A 1 277 LEU 277 277 277 LEU LEU A . n A 1 278 TYR 278 278 278 TYR TYR A . n A 1 279 TRP 279 279 279 TRP TRP A . n A 1 280 GLY 280 280 280 GLY GLY A . n A 1 281 SER 281 281 281 SER SER A . n A 1 282 LEU 282 282 282 LEU LEU A . n A 1 283 HIS 283 283 283 HIS HIS A . n A 1 284 HIS 284 284 284 HIS HIS A . n A 1 285 ILE 285 285 285 ILE ILE A . n A 1 286 LEU 286 286 286 LEU LEU A . n A 1 287 ASP 287 287 287 ASP ASP A . n A 1 288 ALA 288 288 288 ALA ALA A . n A 1 289 GLN 289 289 289 GLN GLN A . n A 1 290 LYS 290 290 290 LYS LYS A . n A 1 291 MET 291 291 291 MET MET A . n A 1 292 VAL 292 292 292 VAL VAL A . n A 1 293 TRP 293 293 293 TRP TRP A . n A 1 294 ASN 294 294 294 ASN ASN A . n A 1 295 HIS 295 295 295 HIS HIS A . n A 1 296 ARG 296 296 296 ARG ARG A . n A 1 297 HIS 297 297 297 HIS HIS A . n A 1 298 HIS 298 298 298 HIS HIS A . n A 1 299 HIS 299 299 299 HIS HIS A . n A 1 300 HIS 300 300 300 HIS HIS A . n A 1 301 HIS 301 301 ? ? ? A . n A 1 302 HIS 302 302 ? ? ? A . n B 2 1 ILE 1 1 1 ILE ILE B . n B 2 2 GLN 2 2 2 GLN GLN B . n B 2 3 LYS 3 3 3 LYS LYS B . n B 2 4 THR 4 4 4 THR THR B . n B 2 5 PRO 5 5 5 PRO PRO B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 ILE 7 7 7 ILE ILE B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 VAL 9 9 9 VAL VAL B . n B 2 10 TYR 10 10 10 TYR TYR B . n B 2 11 SER 11 11 11 SER SER B . n B 2 12 ARG 12 12 12 ARG ARG B . n B 2 13 HIS 13 13 13 HIS HIS B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 PRO 15 15 15 PRO PRO B . n B 2 16 GLU 16 16 16 GLU GLU B . n B 2 17 ASN 17 17 17 ASN ASN B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 LYS 19 19 19 LYS LYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASN 21 21 21 ASN ASN B . n B 2 22 ILE 22 22 22 ILE ILE B . n B 2 23 LEU 23 23 23 LEU LEU B . n B 2 24 ASN 24 24 24 ASN ASN B . n B 2 25 CYS 25 25 25 CYS CYS B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 VAL 27 27 27 VAL VAL B . n B 2 28 THR 28 28 28 THR THR B . n B 2 29 GLN 29 29 29 GLN GLN B . n B 2 30 PHE 30 30 30 PHE PHE B . n B 2 31 HIS 31 31 31 HIS HIS B . n B 2 32 PRO 32 32 32 PRO PRO B . n B 2 33 PRO 33 33 33 PRO PRO B . n B 2 34 HIS 34 34 34 HIS HIS B . n B 2 35 ILE 35 35 35 ILE ILE B . n B 2 36 GLU 36 36 36 GLU GLU B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 MET 39 39 39 MET MET B . n B 2 40 LEU 40 40 40 LEU LEU B . n B 2 41 LYS 41 41 41 LYS LYS B . n B 2 42 ASN 42 42 42 ASN ASN B . n B 2 43 GLY 43 43 43 GLY GLY B . n B 2 44 LYS 44 44 44 LYS LYS B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 ILE 46 46 46 ILE ILE B . n B 2 47 PRO 47 47 47 PRO PRO B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 VAL 49 49 49 VAL VAL B . n B 2 50 GLU 50 50 50 GLU GLU B . n B 2 51 MET 51 51 51 MET MET B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASP 53 53 53 ASP ASP B . n B 2 54 MET 54 54 54 MET MET B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PHE 56 56 56 PHE PHE B . n B 2 57 SER 57 57 57 SER SER B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 TRP 60 60 60 TRP TRP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 TYR 63 63 63 TYR TYR B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 LEU 65 65 65 LEU LEU B . n B 2 66 ALA 66 66 66 ALA ALA B . n B 2 67 HIS 67 67 67 HIS HIS B . n B 2 68 THR 68 68 68 THR THR B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 THR 71 71 71 THR THR B . n B 2 72 PRO 72 72 72 PRO PRO B . n B 2 73 THR 73 73 73 THR THR B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 THR 75 75 75 THR THR B . n B 2 76 ASP 76 76 76 ASP ASP B . n B 2 77 THR 77 77 77 THR THR B . n B 2 78 TYR 78 78 78 TYR TYR B . n B 2 79 ALA 79 79 79 ALA ALA B . n B 2 80 CYS 80 80 80 CYS CYS B . n B 2 81 ARG 81 81 81 ARG ARG B . n B 2 82 VAL 82 82 82 VAL VAL B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 HIS 84 84 84 HIS HIS B . n B 2 85 ALA 85 85 85 ALA ALA B . n B 2 86 SER 86 86 86 SER SER B . n B 2 87 MET 87 87 87 MET MET B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 GLU 89 89 89 GLU GLU B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 LYS 91 91 91 LYS LYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 VAL 93 93 93 VAL VAL B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 TRP 95 95 95 TRP TRP B . n B 2 96 ASP 96 96 96 ASP ASP B . n B 2 97 ARG 97 97 97 ARG ARG B . n B 2 98 ASP 98 98 98 ASP ASP B . n B 2 99 MET 99 99 99 MET MET B . n C 3 1 THR 1 1 1 THR THR C . n C 3 2 GLN 2 2 2 GLN GLN C . n C 3 3 VAL 3 3 3 VAL VAL C . n C 3 4 GLU 4 4 4 GLU GLU C . n C 3 5 GLN 5 5 5 GLN GLN C . n C 3 6 SER 6 6 6 SER SER C . n C 3 7 PRO 7 7 7 PRO PRO C . n C 3 8 GLN 8 8 8 GLN GLN C . n C 3 9 SER 9 9 9 SER SER C . n C 3 10 LEU 10 10 10 LEU LEU C . n C 3 11 VAL 11 11 11 VAL VAL C . n C 3 12 VAL 12 12 12 VAL VAL C . n C 3 13 ARG 13 13 13 ARG ARG C . n C 3 14 GLN 14 14 14 GLN GLN C . n C 3 15 GLY 15 15 15 GLY GLY C . n C 3 16 GLU 16 16 16 GLU GLU C . n C 3 17 ASN 17 17 17 ASN ASN C . n C 3 18 SER 18 18 18 SER SER C . n C 3 19 VAL 19 19 19 VAL VAL C . n C 3 20 LEU 20 20 20 LEU LEU C . n C 3 21 GLN 21 21 21 GLN GLN C . n C 3 22 CYS 22 22 22 CYS CYS C . n C 3 23 ASN 23 23 23 ASN ASN C . n C 3 24 TYR 24 24 24 TYR TYR C . n C 3 25 SER 25 25 25 SER SER C . n C 3 26 VAL 26 26 26 VAL VAL C . n C 3 27 THR 27 27 27 THR THR C . n C 3 28 PRO 28 28 28 PRO PRO C . n C 3 29 ASP 29 29 29 ASP ASP C . n C 3 30 ASN 30 30 30 ASN ASN C . n C 3 31 HIS 31 31 31 HIS HIS C . n C 3 32 LEU 32 32 32 LEU LEU C . n C 3 33 ARG 33 33 33 ARG ARG C . n C 3 34 TRP 34 34 34 TRP TRP C . n C 3 35 PHE 35 35 35 PHE PHE C . n C 3 36 LYS 36 36 36 LYS LYS C . n C 3 37 GLN 37 37 37 GLN GLN C . n C 3 38 ASP 38 38 38 ASP ASP C . n C 3 39 THR 39 39 39 THR THR C . n C 3 40 GLY 40 40 40 GLY GLY C . n C 3 41 LYS 41 41 41 LYS LYS C . n C 3 42 GLY 42 42 42 GLY GLY C . n C 3 43 LEU 43 43 43 LEU LEU C . n C 3 44 VAL 44 44 44 VAL VAL C . n C 3 45 SER 45 45 45 SER SER C . n C 3 46 LEU 46 46 46 LEU LEU C . n C 3 47 THR 47 47 47 THR THR C . n C 3 48 VAL 48 48 48 VAL VAL C . n C 3 49 LEU 49 49 49 LEU LEU C . n C 3 50 VAL 50 50 50 VAL VAL C . n C 3 51 ASP 51 51 51 ASP ASP C . n C 3 52 GLN 52 52 52 GLN GLN C . n C 3 53 LYS 53 53 53 LYS LYS C . n C 3 54 ASP 54 54 54 ASP ASP C . n C 3 55 LYS 55 55 55 LYS LYS C . n C 3 56 THR 56 56 56 THR THR C . n C 3 57 SER 57 57 57 SER SER C . n C 3 58 ASN 58 58 58 ASN ASN C . n C 3 59 GLY 59 59 59 GLY GLY C . n C 3 60 ARG 60 60 60 ARG ARG C . n C 3 61 TYR 61 62 62 TYR TYR C . n C 3 62 SER 62 63 63 SER SER C . n C 3 63 ALA 63 64 64 ALA ALA C . n C 3 64 THR 64 65 65 THR THR C . n C 3 65 LEU 65 66 66 LEU LEU C . n C 3 66 ASP 66 67 67 ASP ASP C . n C 3 67 LYS 67 68 68 LYS LYS C . n C 3 68 ASP 68 69 69 ASP ASP C . n C 3 69 ALA 69 70 70 ALA ALA C . n C 3 70 LYS 70 71 71 LYS LYS C . n C 3 71 HIS 71 72 72 HIS HIS C . n C 3 72 SER 72 73 73 SER SER C . n C 3 73 THR 73 74 74 THR THR C . n C 3 74 LEU 74 75 75 LEU LEU C . n C 3 75 HIS 75 76 76 HIS HIS C . n C 3 76 ILE 76 77 77 ILE ILE C . n C 3 77 THR 77 78 78 THR THR C . n C 3 78 ALA 78 79 79 ALA ALA C . n C 3 79 THR 79 80 80 THR THR C . n C 3 80 LEU 80 81 81 LEU LEU C . n C 3 81 LEU 81 82 82 LEU LEU C . n C 3 82 ASP 82 83 83 ASP ASP C . n C 3 83 ASP 83 84 84 ASP ASP C . n C 3 84 THR 84 85 85 THR THR C . n C 3 85 ALA 85 86 86 ALA ALA C . n C 3 86 THR 86 87 87 THR THR C . n C 3 87 TYR 87 88 88 TYR TYR C . n C 3 88 ILE 88 89 89 ILE ILE C . n C 3 89 CYS 89 90 90 CYS CYS C . n C 3 90 VAL 90 91 91 VAL VAL C . n C 3 91 VAL 91 92 92 VAL VAL C . n C 3 92 GLY 92 93 93 GLY GLY C . n C 3 93 ASP 93 94 94 ASP ASP C . n C 3 94 ARG 94 95 95 ARG ARG C . n C 3 95 GLY 95 96 96 GLY GLY C . n C 3 96 SER 96 97 97 SER SER C . n C 3 97 ALA 97 98 98 ALA ALA C . n C 3 98 LEU 98 99 99 LEU LEU C . n C 3 99 GLY 99 100 100 GLY GLY C . n C 3 100 ARG 100 103 103 ARG ARG C . n C 3 101 LEU 101 104 104 LEU LEU C . n C 3 102 HIS 102 105 105 HIS HIS C . n C 3 103 PHE 103 106 106 PHE PHE C . n C 3 104 GLY 104 107 107 GLY GLY C . n C 3 105 ALA 105 108 108 ALA ALA C . n C 3 106 GLY 106 109 109 GLY GLY C . n C 3 107 THR 107 110 110 THR THR C . n C 3 108 GLN 108 111 111 GLN GLN C . n C 3 109 LEU 109 112 112 LEU LEU C . n C 3 110 ILE 110 113 113 ILE ILE C . n C 3 111 VAL 111 114 114 VAL VAL C . n C 3 112 ILE 112 115 115 ILE ILE C . n C 3 113 PRO 113 116 116 PRO PRO C . n C 3 114 ASP 114 117 117 ASP ASP C . n C 3 115 ILE 115 118 118 ILE ILE C . n C 3 116 GLN 116 119 119 GLN GLN C . n C 3 117 ASN 117 120 120 ASN ASN C . n C 3 118 PRO 118 121 121 PRO PRO C . n C 3 119 ASP 119 122 122 ASP ASP C . n C 3 120 PRO 120 123 123 PRO PRO C . n C 3 121 ALA 121 124 124 ALA ALA C . n C 3 122 VAL 122 125 125 VAL VAL C . n C 3 123 TYR 123 126 126 TYR TYR C . n C 3 124 GLN 124 127 127 GLN GLN C . n C 3 125 LEU 125 128 128 LEU LEU C . n C 3 126 ARG 126 129 129 ARG ARG C . n C 3 127 ASP 127 130 130 ASP ASP C . n C 3 128 SER 128 131 131 SER SER C . n C 3 129 LYS 129 132 132 LYS LYS C . n C 3 130 SER 130 133 133 SER SER C . n C 3 131 SER 131 134 134 SER SER C . n C 3 132 ASP 132 135 135 ASP ASP C . n C 3 133 LYS 133 136 136 LYS LYS C . n C 3 134 SER 134 137 137 SER SER C . n C 3 135 VAL 135 138 138 VAL VAL C . n C 3 136 CYS 136 139 139 CYS CYS C . n C 3 137 LEU 137 140 140 LEU LEU C . n C 3 138 PHE 138 141 141 PHE PHE C . n C 3 139 THR 139 142 142 THR THR C . n C 3 140 ASP 140 143 143 ASP ASP C . n C 3 141 PHE 141 144 144 PHE PHE C . n C 3 142 ASP 142 145 145 ASP ASP C . n C 3 143 SER 143 146 146 SER SER C . n C 3 144 GLN 144 147 147 GLN GLN C . n C 3 145 THR 145 148 148 THR THR C . n C 3 146 ASN 146 149 149 ASN ASN C . n C 3 147 VAL 147 150 150 VAL VAL C . n C 3 148 SER 148 151 151 SER SER C . n C 3 149 GLN 149 152 152 GLN GLN C . n C 3 150 SER 150 153 153 SER SER C . n C 3 151 LYS 151 154 154 LYS LYS C . n C 3 152 ASP 152 155 155 ASP ASP C . n C 3 153 SER 153 156 156 SER SER C . n C 3 154 ASP 154 157 157 ASP ASP C . n C 3 155 VAL 155 158 158 VAL VAL C . n C 3 156 TYR 156 159 159 TYR TYR C . n C 3 157 ILE 157 160 160 ILE ILE C . n C 3 158 THR 158 161 161 THR THR C . n C 3 159 ASP 159 162 162 ASP ASP C . n C 3 160 LYS 160 163 163 LYS LYS C . n C 3 161 CYS 161 164 164 CYS CYS C . n C 3 162 VAL 162 165 165 VAL VAL C . n C 3 163 LEU 163 166 166 LEU LEU C . n C 3 164 ASP 164 167 167 ASP ASP C . n C 3 165 MET 165 168 168 MET MET C . n C 3 166 ARG 166 169 169 ARG ARG C . n C 3 167 SER 167 170 170 SER SER C . n C 3 168 MET 168 171 171 MET MET C . n C 3 169 ASP 169 172 172 ASP ASP C . n C 3 170 PHE 170 173 173 PHE PHE C . n C 3 171 LYS 171 174 174 LYS LYS C . n C 3 172 SER 172 175 175 SER SER C . n C 3 173 ASN 173 176 176 ASN ASN C . n C 3 174 SER 174 177 177 SER SER C . n C 3 175 ALA 175 178 178 ALA ALA C . n C 3 176 VAL 176 179 179 VAL VAL C . n C 3 177 ALA 177 180 180 ALA ALA C . n C 3 178 TRP 178 181 181 TRP TRP C . n C 3 179 SER 179 182 182 SER SER C . n C 3 180 ASN 180 183 183 ASN ASN C . n C 3 181 LYS 181 184 184 LYS LYS C . n C 3 182 SER 182 185 ? ? ? C . n C 3 183 ASP 183 186 186 ASP ASP C . n C 3 184 PHE 184 187 187 PHE PHE C . n C 3 185 ALA 185 188 188 ALA ALA C . n C 3 186 CYS 186 189 189 CYS CYS C . n C 3 187 ALA 187 190 190 ALA ALA C . n C 3 188 ASN 188 191 191 ASN ASN C . n C 3 189 ALA 189 192 192 ALA ALA C . n C 3 190 PHE 190 193 193 PHE PHE C . n C 3 191 ASN 191 194 194 ASN ASN C . n C 3 192 ASN 192 195 195 ASN ASN C . n C 3 193 SER 193 196 196 SER SER C . n C 3 194 ILE 194 197 197 ILE ILE C . n C 3 195 ILE 195 198 198 ILE ILE C . n C 3 196 PRO 196 199 199 PRO PRO C . n C 3 197 GLU 197 200 200 GLU GLU C . n C 3 198 ASP 198 201 201 ASP ASP C . n C 3 199 THR 199 202 202 THR THR C . n C 3 200 PHE 200 203 203 PHE PHE C . n C 3 201 PHE 201 204 204 PHE PHE C . n C 3 202 PRO 202 205 205 PRO PRO C . n C 3 203 SER 203 206 206 SER SER C . n C 3 204 PRO 204 207 207 PRO PRO C . n C 3 205 GLU 205 208 ? ? ? C . n C 3 206 SER 206 209 ? ? ? C . n C 3 207 SER 207 210 ? ? ? C . n D 4 1 GLU 1 1 ? ? ? D . n D 4 2 ALA 2 2 ? ? ? D . n D 4 3 ALA 3 3 ? ? ? D . n D 4 4 VAL 4 4 4 VAL VAL D . n D 4 5 THR 5 5 5 THR THR D . n D 4 6 GLN 6 6 6 GLN GLN D . n D 4 7 SER 7 7 7 SER SER D . n D 4 8 PRO 8 8 8 PRO PRO D . n D 4 9 ARG 9 9 9 ARG ARG D . n D 4 10 ASN 10 10 10 ASN ASN D . n D 4 11 LYS 11 11 11 LYS LYS D . n D 4 12 VAL 12 12 12 VAL VAL D . n D 4 13 ALA 13 13 13 ALA ALA D . n D 4 14 VAL 14 14 14 VAL VAL D . n D 4 15 THR 15 15 15 THR THR D . n D 4 16 GLY 16 16 16 GLY GLY D . n D 4 17 GLY 17 17 17 GLY GLY D . n D 4 18 LYS 18 18 18 LYS LYS D . n D 4 19 VAL 19 19 19 VAL VAL D . n D 4 20 THR 20 20 20 THR THR D . n D 4 21 LEU 21 21 21 LEU LEU D . n D 4 22 SER 22 22 22 SER SER D . n D 4 23 CYS 23 23 23 CYS CYS D . n D 4 24 ASN 24 24 24 ASN ASN D . n D 4 25 GLN 25 25 25 GLN GLN D . n D 4 26 THR 26 26 26 THR THR D . n D 4 27 ASN 27 27 27 ASN ASN D . n D 4 28 ASN 28 28 28 ASN ASN D . n D 4 29 HIS 29 29 29 HIS HIS D . n D 4 30 ASN 30 30 30 ASN ASN D . n D 4 31 ASN 31 31 31 ASN ASN D . n D 4 32 MET 32 32 32 MET MET D . n D 4 33 TYR 33 33 33 TYR TYR D . n D 4 34 TRP 34 34 34 TRP TRP D . n D 4 35 TYR 35 35 35 TYR TYR D . n D 4 36 ARG 36 36 36 ARG ARG D . n D 4 37 GLN 37 37 37 GLN GLN D . n D 4 38 ASP 38 38 38 ASP ASP D . n D 4 39 THR 39 39 39 THR THR D . n D 4 40 GLY 40 40 40 GLY GLY D . n D 4 41 HIS 41 41 41 HIS HIS D . n D 4 42 GLY 42 42 42 GLY GLY D . n D 4 43 LEU 43 43 43 LEU LEU D . n D 4 44 ARG 44 44 44 ARG ARG D . n D 4 45 LEU 45 45 45 LEU LEU D . n D 4 46 ILE 46 46 46 ILE ILE D . n D 4 47 HIS 47 47 47 HIS HIS D . n D 4 48 TYR 48 48 48 TYR TYR D . n D 4 49 SER 49 49 49 SER SER D . n D 4 50 TYR 50 50 50 TYR TYR D . n D 4 51 GLY 51 51 51 GLY GLY D . n D 4 52 ALA 52 52 52 ALA ALA D . n D 4 53 GLY 53 53 53 GLY GLY D . n D 4 54 SER 54 54 54 SER SER D . n D 4 55 THR 55 55 55 THR THR D . n D 4 56 GLU 56 56 56 GLU GLU D . n D 4 57 LYS 57 57 57 LYS LYS D . n D 4 58 GLY 58 58 58 GLY GLY D . n D 4 59 ASP 59 59 59 ASP ASP D . n D 4 60 ILE 60 60 60 ILE ILE D . n D 4 61 PRO 61 61 61 PRO PRO D . n D 4 62 ASP 62 62 62 ASP ASP D . n D 4 63 GLY 63 63 63 GLY GLY D . n D 4 64 TYR 64 65 65 TYR TYR D . n D 4 65 LYS 65 66 66 LYS LYS D . n D 4 66 ALA 66 67 67 ALA ALA D . n D 4 67 SER 67 68 68 SER SER D . n D 4 68 ARG 68 69 69 ARG ARG D . n D 4 69 PRO 69 70 70 PRO PRO D . n D 4 70 SER 70 71 71 SER SER D . n D 4 71 GLN 71 72 72 GLN GLN D . n D 4 72 GLU 72 73 73 GLU GLU D . n D 4 73 ASN 73 74 74 ASN ASN D . n D 4 74 PHE 74 75 75 PHE PHE D . n D 4 75 SER 75 76 76 SER SER D . n D 4 76 LEU 76 77 77 LEU LEU D . n D 4 77 ILE 77 78 78 ILE ILE D . n D 4 78 LEU 78 79 79 LEU LEU D . n D 4 79 GLU 79 80 80 GLU GLU D . n D 4 80 LEU 80 81 81 LEU LEU D . n D 4 81 ALA 81 82 82 ALA ALA D . n D 4 82 THR 82 83 83 THR THR D . n D 4 83 PRO 83 84 84 PRO PRO D . n D 4 84 SER 84 85 85 SER SER D . n D 4 85 GLN 85 86 86 GLN GLN D . n D 4 86 THR 86 87 87 THR THR D . n D 4 87 SER 87 88 88 SER SER D . n D 4 88 VAL 88 89 89 VAL VAL D . n D 4 89 TYR 89 90 90 TYR TYR D . n D 4 90 PHE 90 91 91 PHE PHE D . n D 4 91 CYS 91 92 92 CYS CYS D . n D 4 92 ALA 92 93 93 ALA ALA D . n D 4 93 SER 93 94 94 SER SER D . n D 4 94 GLY 94 95 95 GLY GLY D . n D 4 95 ASP 95 96 96 ASP ASP D . n D 4 96 ALA 96 97 ? ? ? D . n D 4 97 GLY 97 98 ? ? ? D . n D 4 98 GLY 98 99 ? ? ? D . n D 4 99 ASN 99 100 ? ? ? D . n D 4 100 TYR 100 101 ? ? ? D . n D 4 101 ALA 101 102 ? ? ? D . n D 4 102 GLU 102 103 103 GLU GLU D . n D 4 103 GLN 103 106 106 GLN GLN D . n D 4 104 PHE 104 107 107 PHE PHE D . n D 4 105 PHE 105 108 108 PHE PHE D . n D 4 106 GLY 106 109 109 GLY GLY D . n D 4 107 PRO 107 110 110 PRO PRO D . n D 4 108 GLY 108 111 111 GLY GLY D . n D 4 109 THR 109 112 112 THR THR D . n D 4 110 ARG 110 113 113 ARG ARG D . n D 4 111 LEU 111 114 114 LEU LEU D . n D 4 112 THR 112 115 115 THR THR D . n D 4 113 VAL 113 116 116 VAL VAL D . n D 4 114 LEU 114 117 117 LEU LEU D . n D 4 115 GLU 115 118 118 GLU GLU D . n D 4 116 ASP 116 119 119 ASP ASP D . n D 4 117 LEU 117 120 120 LEU LEU D . n D 4 118 LYS 118 121 121 LYS LYS D . n D 4 119 ASN 119 122 122 ASN ASN D . n D 4 120 VAL 120 123 123 VAL VAL D . n D 4 121 PHE 121 124 124 PHE PHE D . n D 4 122 PRO 122 125 125 PRO PRO D . n D 4 123 PRO 123 126 126 PRO PRO D . n D 4 124 GLU 124 127 127 GLU GLU D . n D 4 125 VAL 125 128 128 VAL VAL D . n D 4 126 ALA 126 129 129 ALA ALA D . n D 4 127 VAL 127 130 130 VAL VAL D . n D 4 128 PHE 128 131 131 PHE PHE D . n D 4 129 GLU 129 132 132 GLU GLU D . n D 4 130 PRO 130 133 133 PRO PRO D . n D 4 131 SER 131 134 134 SER SER D . n D 4 132 GLU 132 135 135 GLU GLU D . n D 4 133 ALA 133 136 136 ALA ALA D . n D 4 134 GLU 134 137 137 GLU GLU D . n D 4 135 ILE 135 138 138 ILE ILE D . n D 4 136 SER 136 139 139 SER SER D . n D 4 137 HIS 137 140 140 HIS HIS D . n D 4 138 THR 138 141 141 THR THR D . n D 4 139 GLN 139 142 142 GLN GLN D . n D 4 140 LYS 140 143 143 LYS LYS D . n D 4 141 ALA 141 144 144 ALA ALA D . n D 4 142 THR 142 145 145 THR THR D . n D 4 143 LEU 143 146 146 LEU LEU D . n D 4 144 VAL 144 147 147 VAL VAL D . n D 4 145 CYS 145 148 148 CYS CYS D . n D 4 146 LEU 146 149 149 LEU LEU D . n D 4 147 ALA 147 150 150 ALA ALA D . n D 4 148 THR 148 151 151 THR THR D . n D 4 149 GLY 149 152 152 GLY GLY D . n D 4 150 PHE 150 153 153 PHE PHE D . n D 4 151 TYR 151 154 154 TYR TYR D . n D 4 152 PRO 152 155 155 PRO PRO D . n D 4 153 ASP 153 156 156 ASP ASP D . n D 4 154 HIS 154 157 157 HIS HIS D . n D 4 155 VAL 155 158 158 VAL VAL D . n D 4 156 GLU 156 159 159 GLU GLU D . n D 4 157 LEU 157 160 160 LEU LEU D . n D 4 158 SER 158 161 161 SER SER D . n D 4 159 TRP 159 162 162 TRP TRP D . n D 4 160 TRP 160 163 163 TRP TRP D . n D 4 161 VAL 161 164 164 VAL VAL D . n D 4 162 ASN 162 165 165 ASN ASN D . n D 4 163 GLY 163 166 166 GLY GLY D . n D 4 164 LYS 164 167 167 LYS LYS D . n D 4 165 GLU 165 168 168 GLU GLU D . n D 4 166 VAL 166 169 169 VAL VAL D . n D 4 167 HIS 167 170 170 HIS HIS D . n D 4 168 SER 168 171 171 SER SER D . n D 4 169 GLY 169 172 172 GLY GLY D . n D 4 170 VAL 170 173 173 VAL VAL D . n D 4 171 CYS 171 174 174 CYS CYS D . n D 4 172 THR 172 175 175 THR THR D . n D 4 173 ASP 173 176 176 ASP ASP D . n D 4 174 PRO 174 177 177 PRO PRO D . n D 4 175 GLN 175 178 178 GLN GLN D . n D 4 176 PRO 176 179 179 PRO PRO D . n D 4 177 LEU 177 180 180 LEU LEU D . n D 4 178 LYS 178 181 181 LYS LYS D . n D 4 179 GLU 179 182 182 GLU GLU D . n D 4 180 GLN 180 183 183 GLN GLN D . n D 4 181 PRO 181 184 184 PRO PRO D . n D 4 182 ALA 182 185 185 ALA ALA D . n D 4 183 LEU 183 186 186 LEU LEU D . n D 4 184 ASN 184 187 187 ASN ASN D . n D 4 185 ASP 185 188 188 ASP ASP D . n D 4 186 SER 186 189 189 SER SER D . n D 4 187 ARG 187 190 190 ARG ARG D . n D 4 188 TYR 188 191 191 TYR TYR D . n D 4 189 ALA 189 192 192 ALA ALA D . n D 4 190 LEU 190 193 193 LEU LEU D . n D 4 191 SER 191 194 194 SER SER D . n D 4 192 SER 192 195 195 SER SER D . n D 4 193 ARG 193 196 196 ARG ARG D . n D 4 194 LEU 194 197 197 LEU LEU D . n D 4 195 ARG 195 198 198 ARG ARG D . n D 4 196 VAL 196 199 199 VAL VAL D . n D 4 197 SER 197 200 200 SER SER D . n D 4 198 ALA 198 201 201 ALA ALA D . n D 4 199 THR 199 202 202 THR THR D . n D 4 200 PHE 200 203 203 PHE PHE D . n D 4 201 TRP 201 204 204 TRP TRP D . n D 4 202 GLN 202 205 205 GLN GLN D . n D 4 203 ASN 203 206 206 ASN ASN D . n D 4 204 PRO 204 207 207 PRO PRO D . n D 4 205 ARG 205 208 208 ARG ARG D . n D 4 206 ASN 206 209 209 ASN ASN D . n D 4 207 HIS 207 210 210 HIS HIS D . n D 4 208 PHE 208 211 211 PHE PHE D . n D 4 209 ARG 209 212 212 ARG ARG D . n D 4 210 CYS 210 213 213 CYS CYS D . n D 4 211 GLN 211 214 214 GLN GLN D . n D 4 212 VAL 212 215 215 VAL VAL D . n D 4 213 GLN 213 216 216 GLN GLN D . n D 4 214 PHE 214 217 217 PHE PHE D . n D 4 215 TYR 215 218 218 TYR TYR D . n D 4 216 GLY 216 219 219 GLY GLY D . n D 4 217 LEU 217 220 220 LEU LEU D . n D 4 218 SER 218 221 221 SER SER D . n D 4 219 GLU 219 222 222 GLU GLU D . n D 4 220 ASN 220 223 223 ASN ASN D . n D 4 221 ASP 221 224 224 ASP ASP D . n D 4 222 GLU 222 225 225 GLU GLU D . n D 4 223 TRP 223 226 226 TRP TRP D . n D 4 224 THR 224 227 227 THR THR D . n D 4 225 GLN 225 228 228 GLN GLN D . n D 4 226 ASP 226 229 229 ASP ASP D . n D 4 227 ARG 227 230 230 ARG ARG D . n D 4 228 ALA 228 231 231 ALA ALA D . n D 4 229 LYS 229 232 232 LYS LYS D . n D 4 230 PRO 230 233 233 PRO PRO D . n D 4 231 VAL 231 234 234 VAL VAL D . n D 4 232 THR 232 235 235 THR THR D . n D 4 233 GLN 233 236 236 GLN GLN D . n D 4 234 ILE 234 237 237 ILE ILE D . n D 4 235 VAL 235 238 238 VAL VAL D . n D 4 236 SER 236 239 239 SER SER D . n D 4 237 ALA 237 240 240 ALA ALA D . n D 4 238 GLU 238 241 241 GLU GLU D . n D 4 239 ALA 239 242 242 ALA ALA D . n D 4 240 TRP 240 243 243 TRP TRP D . n D 4 241 GLY 241 244 244 GLY GLY D . n D 4 242 ARG 242 245 245 ARG ARG D . n D 4 243 ALA 243 246 246 ALA ALA D . n D 4 244 ASP 244 247 247 ASP ASP D . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 165 A ASN 165 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 20 A ASN 20 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 42 A ASN 42 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _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,N,O # _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_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2011-03-30 2 'Structure model' 1 1 2011-07-13 3 'Structure model' 1 2 2014-01-29 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined -14.1990 -46.8793 -73.5793 0.2201 0.2916 0.2443 0.0217 0.0152 -0.2097 2.7997 2.5849 6.0144 -1.2792 1.4343 -0.4937 0.0609 -0.0689 -0.0214 -0.0960 0.0106 0.1271 -0.1784 0.1596 -0.0714 'X-RAY DIFFRACTION' 2 ? refined -7.0130 -46.2001 -101.1659 0.2961 0.2422 0.2362 -0.0271 0.0603 -0.1516 3.3625 1.4516 5.8421 0.9648 0.5797 -1.1117 -0.1148 0.0940 0.2108 -0.2273 0.0198 -0.1731 -0.2687 0.7728 0.0950 'X-RAY DIFFRACTION' 3 ? refined -3.1473 -36.4318 -41.9140 0.0958 0.2620 0.2259 -0.0437 0.1048 -0.1542 5.0366 2.8655 11.8442 -0.0918 3.4468 3.0517 -0.1439 -0.8881 0.1398 0.0094 0.0566 0.1628 -0.1136 -0.0877 0.0873 'X-RAY DIFFRACTION' 4 ? refined 13.5147 -50.9987 -49.2453 0.2333 0.2752 0.2313 0.0562 -0.0520 -0.1838 7.9963 4.7089 6.5909 0.6174 1.8960 1.8025 0.4050 -0.0684 -0.6121 0.1795 0.0439 -0.0503 0.7161 0.3721 -0.4489 'X-RAY DIFFRACTION' 5 ? refined 19.4137 -28.1655 -15.8291 0.2995 0.0273 0.0497 0.0412 0.0034 -0.0116 6.7965 5.1161 8.2561 0.4503 -1.0861 2.4312 0.2148 0.0945 0.2881 -0.3925 -0.1280 -0.2475 -0.3109 -0.2423 -0.0868 'X-RAY DIFFRACTION' 6 ? refined 24.2854 -43.3629 -21.2493 0.1469 0.2368 0.3053 0.0853 -0.1499 -0.1063 3.8893 2.3942 9.0474 0.0227 -2.8656 2.4541 0.1173 0.4680 -0.4541 0.1101 -0.1214 -0.1943 0.2562 0.3853 0.0041 'X-RAY DIFFRACTION' 7 ? refined -23.9785 -50.6798 -111.9317 0.2766 0.0841 0.1773 -0.0064 -0.0669 0.0784 1.3995 3.2367 3.8915 -0.0021 -0.2476 1.4628 -0.2406 0.0894 0.3285 -0.3757 0.2012 0.0964 -0.3280 -0.2064 0.0394 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 7 ? ? A 185 ? ? ? ? 'X-RAY DIFFRACTION' 2 1 A 650 ? ? A 650 ? ? ? ? 'X-RAY DIFFRACTION' 3 1 A 400 ? ? A 401 ? ? ? ? 'X-RAY DIFFRACTION' 4 1 A 314 ? ? A 315 ? ? ? ? 'X-RAY DIFFRACTION' 5 1 A 501 ? ? A 502 ? ? ? ? 'X-RAY DIFFRACTION' 6 2 B 1 ? ? B 99 ? ? ? ? 'X-RAY DIFFRACTION' 7 3 C 1 ? ? C 114 ? ? ? ? 'X-RAY DIFFRACTION' 8 4 D 4 ? ? D 116 ? ? ? ? 'X-RAY DIFFRACTION' 9 5 C 115 ? ? C 204 ? ? ? ? 'X-RAY DIFFRACTION' 10 6 D 117 ? ? D 244 ? ? ? ? 'X-RAY DIFFRACTION' 11 7 A 186 ? ? A 300 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal Blu-Ice 'data collection' . ? 1 PHASER phasing . ? 2 REFMAC refinement 5.5.0109 ? 3 MOSFLM 'data reduction' . ? 4 SCALA 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3ARF _pdbx_entry_details.sequence_details ;FOR CHAIN C, RESIDUES 1 TO 116 IS MOUSE VARIABLE DOMAIN AND 117-210 IS HUMAN CONSTANT DOMAIN. FOR CHAIN D, RESIDUES 1 TO 117 IS MOUSE VARIABLE DOMAIN AND 118-247 IS HUMAN CONSTANT DOMAIN. THE SWISS-PROT ENTRY P11609 CONFLICTS WITH BRADBURY ET AL., 1988 WHICH SUGGESTS A HISTIDINE IN PLACE OF ASPARTATE. SEQUENCE IN THIS PDB AGREES WITH THE CITATION. ; _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASP A 34 ? ? -142.08 46.53 2 1 LYS A 57 ? ? -108.77 42.80 3 1 MET A 88 ? ? -103.64 41.68 4 1 LYS A 91 ? ? -70.46 -77.91 5 1 ALA A 255 ? ? -38.09 105.20 6 1 ALA C 79 ? ? 58.40 73.71 7 1 ASP C 83 ? ? -69.73 3.63 8 1 THR C 85 ? ? -69.69 99.73 9 1 THR D 26 ? ? -118.50 66.89 10 1 ILE D 46 ? ? -97.41 -70.08 11 1 GLU D 80 ? ? -59.10 -70.20 12 1 ASP D 156 ? ? -80.71 37.29 # 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 ARG 21 ? CD ? A ARG 21 CD 2 1 Y 1 A ARG 21 ? NE ? A ARG 21 NE 3 1 Y 1 A ARG 21 ? CZ ? A ARG 21 CZ 4 1 Y 1 A ARG 21 ? NH1 ? A ARG 21 NH1 5 1 Y 1 A ARG 21 ? NH2 ? A ARG 21 NH2 6 1 Y 1 A SER 24 ? OG ? A SER 24 OG 7 1 Y 1 A ILE 47 ? CD1 ? A ILE 47 CD1 8 1 Y 1 A LYS 51 ? CG ? A LYS 51 CG 9 1 Y 1 A LYS 51 ? CD ? A LYS 51 CD 10 1 Y 1 A LYS 51 ? CE ? A LYS 51 CE 11 1 Y 1 A LYS 51 ? NZ ? A LYS 51 NZ 12 1 Y 1 A LYS 57 ? CG ? A LYS 57 CG 13 1 Y 1 A LYS 57 ? CD ? A LYS 57 CD 14 1 Y 1 A LYS 57 ? CE ? A LYS 57 CE 15 1 Y 1 A LYS 57 ? NZ ? A LYS 57 NZ 16 1 Y 1 A GLN 61 ? CG ? A GLN 61 CG 17 1 Y 1 A GLN 61 ? CD ? A GLN 61 CD 18 1 Y 1 A GLN 61 ? OE1 ? A GLN 61 OE1 19 1 Y 1 A GLN 61 ? NE2 ? A GLN 61 NE2 20 1 Y 1 A LYS 65 ? CG ? A LYS 65 CG 21 1 Y 1 A LYS 65 ? CD ? A LYS 65 CD 22 1 Y 1 A LYS 65 ? CE ? A LYS 65 CE 23 1 Y 1 A LYS 65 ? NZ ? A LYS 65 NZ 24 1 Y 1 A SER 89 ? OG ? A SER 89 OG 25 1 Y 1 A LYS 91 ? CD ? A LYS 91 CD 26 1 Y 1 A LYS 91 ? CE ? A LYS 91 CE 27 1 Y 1 A LYS 91 ? NZ ? A LYS 91 NZ 28 1 Y 1 A GLU 92 ? CG ? A GLU 92 CG 29 1 Y 1 A GLU 92 ? CD ? A GLU 92 CD 30 1 Y 1 A GLU 92 ? OE1 ? A GLU 92 OE1 31 1 Y 1 A GLU 92 ? OE2 ? A GLU 92 OE2 32 1 Y 1 A GLU 105 ? CG ? A GLU 105 CG 33 1 Y 1 A GLU 105 ? CD ? A GLU 105 CD 34 1 Y 1 A GLU 105 ? OE1 ? A GLU 105 OE1 35 1 Y 1 A GLU 105 ? OE2 ? A GLU 105 OE2 36 1 Y 1 A LEU 145 ? CG ? A LEU 145 CG 37 1 Y 1 A LEU 145 ? CD1 ? A LEU 145 CD1 38 1 Y 1 A LEU 145 ? CD2 ? A LEU 145 CD2 39 1 Y 1 A LYS 148 ? CG ? A LYS 148 CG 40 1 Y 1 A LYS 148 ? CD ? A LYS 148 CD 41 1 Y 1 A LYS 148 ? CE ? A LYS 148 CE 42 1 Y 1 A LYS 148 ? NZ ? A LYS 148 NZ 43 1 Y 1 A GLN 154 ? CG ? A GLN 154 CG 44 1 Y 1 A GLN 154 ? CD ? A GLN 154 CD 45 1 Y 1 A GLN 154 ? OE1 ? A GLN 154 OE1 46 1 Y 1 A GLN 154 ? NE2 ? A GLN 154 NE2 47 1 Y 1 A MET 162 ? CE ? A MET 162 CE 48 1 Y 1 A LEU 170 ? CG ? A LEU 170 CG 49 1 Y 1 A LEU 170 ? CD1 ? A LEU 170 CD1 50 1 Y 1 A LEU 170 ? CD2 ? A LEU 170 CD2 51 1 Y 1 A ARG 173 ? CG ? A ARG 173 CG 52 1 Y 1 A ARG 173 ? CD ? A ARG 173 CD 53 1 Y 1 A ARG 173 ? NE ? A ARG 173 NE 54 1 Y 1 A ARG 173 ? CZ ? A ARG 173 CZ 55 1 Y 1 A ARG 173 ? NH1 ? A ARG 173 NH1 56 1 Y 1 A ARG 173 ? NH2 ? A ARG 173 NH2 57 1 Y 1 A GLU 177 ? CG ? A GLU 177 CG 58 1 Y 1 A GLU 177 ? CD ? A GLU 177 CD 59 1 Y 1 A GLU 177 ? OE1 ? A GLU 177 OE1 60 1 Y 1 A GLU 177 ? OE2 ? A GLU 177 OE2 61 1 Y 1 A LYS 180 ? CG ? A LYS 180 CG 62 1 Y 1 A LYS 180 ? CD ? A LYS 180 CD 63 1 Y 1 A LYS 180 ? CE ? A LYS 180 CE 64 1 Y 1 A LYS 180 ? NZ ? A LYS 180 NZ 65 1 Y 1 A LEU 183 ? CG ? A LEU 183 CG 66 1 Y 1 A LEU 183 ? CD1 ? A LEU 183 CD1 67 1 Y 1 A LEU 183 ? CD2 ? A LEU 183 CD2 68 1 Y 1 A GLU 184 ? CG ? A GLU 184 CG 69 1 Y 1 A GLU 184 ? CD ? A GLU 184 CD 70 1 Y 1 A GLU 184 ? OE1 ? A GLU 184 OE1 71 1 Y 1 A GLU 184 ? OE2 ? A GLU 184 OE2 72 1 Y 1 A LYS 185 ? CG ? A LYS 185 CG 73 1 Y 1 A LYS 185 ? CD ? A LYS 185 CD 74 1 Y 1 A LYS 185 ? CE ? A LYS 185 CE 75 1 Y 1 A LYS 185 ? NZ ? A LYS 185 NZ 76 1 Y 1 A LYS 188 ? CG ? A LYS 188 CG 77 1 Y 1 A LYS 188 ? CD ? A LYS 188 CD 78 1 Y 1 A LYS 188 ? CE ? A LYS 188 CE 79 1 Y 1 A LYS 188 ? NZ ? A LYS 188 NZ 80 1 Y 1 A SER 199 ? OG ? A SER 199 OG 81 1 Y 1 A LYS 216 ? NZ ? A LYS 216 NZ 82 1 Y 1 A GLN 227 ? CD ? A GLN 227 CD 83 1 Y 1 A GLN 227 ? OE1 ? A GLN 227 OE1 84 1 Y 1 A GLN 227 ? NE2 ? A GLN 227 NE2 85 1 Y 1 A GLU 254 ? OE1 ? A GLU 254 OE1 86 1 Y 1 A GLU 254 ? OE2 ? A GLU 254 OE2 87 1 Y 1 A GLN 273 ? CD ? A GLN 273 CD 88 1 Y 1 A GLN 273 ? OE1 ? A GLN 273 OE1 89 1 Y 1 A GLN 273 ? NE2 ? A GLN 273 NE2 90 1 Y 1 A ILE 276 ? CD1 ? A ILE 276 CD1 91 1 Y 1 A LEU 282 ? CG ? A LEU 282 CG 92 1 Y 1 A LEU 282 ? CD1 ? A LEU 282 CD1 93 1 Y 1 A LEU 282 ? CD2 ? A LEU 282 CD2 94 1 Y 1 A ILE 285 ? CD1 ? A ILE 285 CD1 95 1 Y 1 A LYS 290 ? CE ? A LYS 290 CE 96 1 Y 1 A LYS 290 ? NZ ? A LYS 290 NZ 97 1 Y 1 A ARG 296 ? CZ ? A ARG 296 CZ 98 1 Y 1 A ARG 296 ? NH1 ? A ARG 296 NH1 99 1 Y 1 A ARG 296 ? NH2 ? A ARG 296 NH2 100 1 Y 1 A HIS 299 ? CG ? A HIS 299 CG 101 1 Y 1 A HIS 299 ? ND1 ? A HIS 299 ND1 102 1 Y 1 A HIS 299 ? CD2 ? A HIS 299 CD2 103 1 Y 1 A HIS 299 ? CE1 ? A HIS 299 CE1 104 1 Y 1 A HIS 299 ? NE2 ? A HIS 299 NE2 105 1 Y 1 A HIS 300 ? CG ? A HIS 300 CG 106 1 Y 1 A HIS 300 ? ND1 ? A HIS 300 ND1 107 1 Y 1 A HIS 300 ? CD2 ? A HIS 300 CD2 108 1 Y 1 A HIS 300 ? CE1 ? A HIS 300 CE1 109 1 Y 1 A HIS 300 ? NE2 ? A HIS 300 NE2 110 1 Y 1 B ILE 1 ? CG1 ? B ILE 1 CG1 111 1 Y 1 B ILE 1 ? CG2 ? B ILE 1 CG2 112 1 Y 1 B ILE 1 ? CD1 ? B ILE 1 CD1 113 1 Y 1 B LYS 19 ? CG ? B LYS 19 CG 114 1 Y 1 B LYS 19 ? CD ? B LYS 19 CD 115 1 Y 1 B LYS 19 ? CE ? B LYS 19 CE 116 1 Y 1 B LYS 19 ? NZ ? B LYS 19 NZ 117 1 Y 1 B GLN 29 ? CD ? B GLN 29 CD 118 1 Y 1 B GLN 29 ? OE1 ? B GLN 29 OE1 119 1 Y 1 B GLN 29 ? NE2 ? B GLN 29 NE2 120 1 Y 1 B ILE 35 ? CD1 ? B ILE 35 CD1 121 1 Y 1 B GLU 36 ? CG ? B GLU 36 CG 122 1 Y 1 B GLU 36 ? CD ? B GLU 36 CD 123 1 Y 1 B GLU 36 ? OE1 ? B GLU 36 OE1 124 1 Y 1 B GLU 36 ? OE2 ? B GLU 36 OE2 125 1 Y 1 B LYS 44 ? CG ? B LYS 44 CG 126 1 Y 1 B LYS 44 ? CD ? B LYS 44 CD 127 1 Y 1 B LYS 44 ? CE ? B LYS 44 CE 128 1 Y 1 B LYS 44 ? NZ ? B LYS 44 NZ 129 1 Y 1 B LYS 45 ? CE ? B LYS 45 CE 130 1 Y 1 B LYS 45 ? NZ ? B LYS 45 NZ 131 1 Y 1 B LYS 48 ? CG ? B LYS 48 CG 132 1 Y 1 B LYS 48 ? CD ? B LYS 48 CD 133 1 Y 1 B LYS 48 ? CE ? B LYS 48 CE 134 1 Y 1 B LYS 48 ? NZ ? B LYS 48 NZ 135 1 Y 1 B GLU 50 ? CG ? B GLU 50 CG 136 1 Y 1 B GLU 50 ? CD ? B GLU 50 CD 137 1 Y 1 B GLU 50 ? OE1 ? B GLU 50 OE1 138 1 Y 1 B GLU 50 ? OE2 ? B GLU 50 OE2 139 1 Y 1 B LYS 58 ? CG ? B LYS 58 CG 140 1 Y 1 B LYS 58 ? CD ? B LYS 58 CD 141 1 Y 1 B LYS 58 ? CE ? B LYS 58 CE 142 1 Y 1 B LYS 58 ? NZ ? B LYS 58 NZ 143 1 Y 1 B GLU 69 ? CG ? B GLU 69 CG 144 1 Y 1 B GLU 69 ? CD ? B GLU 69 CD 145 1 Y 1 B GLU 69 ? OE1 ? B GLU 69 OE1 146 1 Y 1 B GLU 69 ? OE2 ? B GLU 69 OE2 147 1 Y 1 B ARG 81 ? CD ? B ARG 81 CD 148 1 Y 1 B ARG 81 ? NE ? B ARG 81 NE 149 1 Y 1 B ARG 81 ? CZ ? B ARG 81 CZ 150 1 Y 1 B ARG 81 ? NH1 ? B ARG 81 NH1 151 1 Y 1 B ARG 81 ? NH2 ? B ARG 81 NH2 152 1 Y 1 B LYS 83 ? CD ? B LYS 83 CD 153 1 Y 1 B LYS 83 ? CE ? B LYS 83 CE 154 1 Y 1 B LYS 83 ? NZ ? B LYS 83 NZ 155 1 Y 1 B GLU 89 ? CG ? B GLU 89 CG 156 1 Y 1 B GLU 89 ? CD ? B GLU 89 CD 157 1 Y 1 B GLU 89 ? OE1 ? B GLU 89 OE1 158 1 Y 1 B GLU 89 ? OE2 ? B GLU 89 OE2 159 1 Y 1 B MET 99 ? SD ? B MET 99 SD 160 1 Y 1 B MET 99 ? CE ? B MET 99 CE 161 1 Y 1 C GLU 4 ? CD ? C GLU 4 CD 162 1 Y 1 C GLU 4 ? OE1 ? C GLU 4 OE1 163 1 Y 1 C GLU 4 ? OE2 ? C GLU 4 OE2 164 1 Y 1 C SER 9 ? OG ? C SER 9 OG 165 1 Y 1 C ARG 13 ? CG ? C ARG 13 CG 166 1 Y 1 C ARG 13 ? CD ? C ARG 13 CD 167 1 Y 1 C ARG 13 ? NE ? C ARG 13 NE 168 1 Y 1 C ARG 13 ? CZ ? C ARG 13 CZ 169 1 Y 1 C ARG 13 ? NH1 ? C ARG 13 NH1 170 1 Y 1 C ARG 13 ? NH2 ? C ARG 13 NH2 171 1 Y 1 C LYS 41 ? CG ? C LYS 41 CG 172 1 Y 1 C LYS 41 ? CD ? C LYS 41 CD 173 1 Y 1 C LYS 41 ? CE ? C LYS 41 CE 174 1 Y 1 C LYS 41 ? NZ ? C LYS 41 NZ 175 1 Y 1 C LYS 55 ? CG ? C LYS 55 CG 176 1 Y 1 C LYS 55 ? CD ? C LYS 55 CD 177 1 Y 1 C LYS 55 ? CE ? C LYS 55 CE 178 1 Y 1 C LYS 55 ? NZ ? C LYS 55 NZ 179 1 Y 1 C ASP 69 ? OD1 ? C ASP 68 OD1 180 1 Y 1 C ASP 69 ? OD2 ? C ASP 68 OD2 181 1 Y 1 C LYS 132 ? NZ ? C LYS 129 NZ 182 1 Y 1 C SER 134 ? OG ? C SER 131 OG 183 1 Y 1 C LYS 136 ? CE ? C LYS 133 CE 184 1 Y 1 C LYS 136 ? NZ ? C LYS 133 NZ 185 1 Y 1 C GLN 147 ? CG ? C GLN 144 CG 186 1 Y 1 C GLN 147 ? CD ? C GLN 144 CD 187 1 Y 1 C GLN 147 ? OE1 ? C GLN 144 OE1 188 1 Y 1 C GLN 147 ? NE2 ? C GLN 144 NE2 189 1 Y 1 C LYS 154 ? CG ? C LYS 151 CG 190 1 Y 1 C LYS 154 ? CD ? C LYS 151 CD 191 1 Y 1 C LYS 154 ? CE ? C LYS 151 CE 192 1 Y 1 C LYS 154 ? NZ ? C LYS 151 NZ 193 1 Y 1 C SER 156 ? OG ? C SER 153 OG 194 1 Y 1 C ASN 183 ? CG ? C ASN 180 CG 195 1 Y 1 C ASN 183 ? OD1 ? C ASN 180 OD1 196 1 Y 1 C ASN 183 ? ND2 ? C ASN 180 ND2 197 1 Y 1 C LYS 184 ? CG ? C LYS 181 CG 198 1 Y 1 C LYS 184 ? CD ? C LYS 181 CD 199 1 Y 1 C LYS 184 ? CE ? C LYS 181 CE 200 1 Y 1 C LYS 184 ? NZ ? C LYS 181 NZ 201 1 Y 1 C ILE 198 ? CG1 ? C ILE 195 CG1 202 1 Y 1 C ILE 198 ? CG2 ? C ILE 195 CG2 203 1 Y 1 C ILE 198 ? CD1 ? C ILE 195 CD1 204 1 Y 1 C GLU 200 ? CG ? C GLU 197 CG 205 1 Y 1 C GLU 200 ? CD ? C GLU 197 CD 206 1 Y 1 C GLU 200 ? OE1 ? C GLU 197 OE1 207 1 Y 1 C GLU 200 ? OE2 ? C GLU 197 OE2 208 1 Y 1 D ARG 9 ? CG ? D ARG 9 CG 209 1 Y 1 D ARG 9 ? CD ? D ARG 9 CD 210 1 Y 1 D ARG 9 ? NE ? D ARG 9 NE 211 1 Y 1 D ARG 9 ? CZ ? D ARG 9 CZ 212 1 Y 1 D ARG 9 ? NH1 ? D ARG 9 NH1 213 1 Y 1 D ARG 9 ? NH2 ? D ARG 9 NH2 214 1 Y 1 D LYS 18 ? CD ? D LYS 18 CD 215 1 Y 1 D LYS 18 ? CE ? D LYS 18 CE 216 1 Y 1 D LYS 18 ? NZ ? D LYS 18 NZ 217 1 Y 1 D SER 22 ? OG ? D SER 22 OG 218 1 Y 1 D THR 55 ? OG1 ? D THR 55 OG1 219 1 Y 1 D THR 55 ? CG2 ? D THR 55 CG2 220 1 Y 1 D LYS 57 ? NZ ? D LYS 57 NZ 221 1 Y 1 D LYS 66 ? CD ? D LYS 65 CD 222 1 Y 1 D LYS 66 ? CE ? D LYS 65 CE 223 1 Y 1 D LYS 66 ? NZ ? D LYS 65 NZ 224 1 Y 1 D SER 68 ? OG ? D SER 67 OG 225 1 Y 1 D SER 71 ? OG ? D SER 70 OG 226 1 Y 1 D GLU 73 ? CG ? D GLU 72 CG 227 1 Y 1 D GLU 73 ? CD ? D GLU 72 CD 228 1 Y 1 D GLU 73 ? OE1 ? D GLU 72 OE1 229 1 Y 1 D GLU 73 ? OE2 ? D GLU 72 OE2 230 1 Y 1 D SER 76 ? OG ? D SER 75 OG 231 1 Y 1 D LEU 81 ? CD1 ? D LEU 80 CD1 232 1 Y 1 D LEU 81 ? CD2 ? D LEU 80 CD2 233 1 Y 1 D GLU 118 ? CG ? D GLU 115 CG 234 1 Y 1 D GLU 118 ? CD ? D GLU 115 CD 235 1 Y 1 D GLU 118 ? OE1 ? D GLU 115 OE1 236 1 Y 1 D GLU 118 ? OE2 ? D GLU 115 OE2 237 1 Y 1 D ASP 119 ? CG ? D ASP 116 CG 238 1 Y 1 D ASP 119 ? OD1 ? D ASP 116 OD1 239 1 Y 1 D ASP 119 ? OD2 ? D ASP 116 OD2 240 1 Y 1 D LYS 121 ? CD ? D LYS 118 CD 241 1 Y 1 D LYS 121 ? CE ? D LYS 118 CE 242 1 Y 1 D LYS 121 ? NZ ? D LYS 118 NZ 243 1 Y 1 D GLU 135 ? CG ? D GLU 132 CG 244 1 Y 1 D GLU 135 ? CD ? D GLU 132 CD 245 1 Y 1 D GLU 135 ? OE1 ? D GLU 132 OE1 246 1 Y 1 D GLU 135 ? OE2 ? D GLU 132 OE2 247 1 Y 1 D LYS 167 ? CG ? D LYS 164 CG 248 1 Y 1 D LYS 167 ? CD ? D LYS 164 CD 249 1 Y 1 D LYS 167 ? CE ? D LYS 164 CE 250 1 Y 1 D LYS 167 ? NZ ? D LYS 164 NZ 251 1 Y 1 D LYS 181 ? CG ? D LYS 178 CG 252 1 Y 1 D LYS 181 ? CD ? D LYS 178 CD 253 1 Y 1 D LYS 181 ? CE ? D LYS 178 CE 254 1 Y 1 D LYS 181 ? NZ ? D LYS 178 NZ 255 1 Y 1 D ARG 208 ? CG ? D ARG 205 CG 256 1 Y 1 D ARG 208 ? CD ? D ARG 205 CD 257 1 Y 1 D ARG 208 ? NE ? D ARG 205 NE 258 1 Y 1 D ARG 208 ? CZ ? D ARG 205 CZ 259 1 Y 1 D ARG 208 ? NH1 ? D ARG 205 NH1 260 1 Y 1 D ARG 208 ? NH2 ? D ARG 205 NH2 261 1 Y 1 D GLU 222 ? CG ? D GLU 219 CG 262 1 Y 1 D GLU 222 ? CD ? D GLU 219 CD 263 1 Y 1 D GLU 222 ? OE1 ? D GLU 219 OE1 264 1 Y 1 D GLU 222 ? OE2 ? D GLU 219 OE2 265 1 Y 1 D ASN 223 ? CG ? D ASN 220 CG 266 1 Y 1 D ASN 223 ? OD1 ? D ASN 220 OD1 267 1 Y 1 D ASN 223 ? ND2 ? D ASN 220 ND2 268 1 Y 1 D GLU 225 ? CG ? D GLU 222 CG 269 1 Y 1 D GLU 225 ? CD ? D GLU 222 CD 270 1 Y 1 D GLU 225 ? OE1 ? D GLU 222 OE1 271 1 Y 1 D GLU 225 ? OE2 ? D GLU 222 OE2 272 1 Y 1 D ASP 229 ? CG ? D ASP 226 CG 273 1 Y 1 D ASP 229 ? OD1 ? D ASP 226 OD1 274 1 Y 1 D ASP 229 ? OD2 ? D ASP 226 OD2 275 1 Y 1 D ARG 230 ? CG ? D ARG 227 CG 276 1 Y 1 D ARG 230 ? CD ? D ARG 227 CD 277 1 Y 1 D ARG 230 ? NE ? D ARG 227 NE 278 1 Y 1 D ARG 230 ? CZ ? D ARG 227 CZ 279 1 Y 1 D ARG 230 ? NH1 ? D ARG 227 NH1 280 1 Y 1 D ARG 230 ? NH2 ? D ARG 227 NH2 281 1 Y 1 D LYS 232 ? CE ? D LYS 229 CE 282 1 Y 1 D LYS 232 ? NZ ? D LYS 229 NZ 283 1 N 1 A NAG 401 ? C7 ? E NAG 2 C7 284 1 N 1 A NAG 401 ? C8 ? E NAG 2 C8 285 1 N 1 A NAG 401 ? O6 ? E NAG 2 O6 286 1 N 1 A NAG 401 ? O7 ? E NAG 2 O7 287 1 N 1 A NAG 315 ? C7 ? F NAG 2 C7 288 1 N 1 A NAG 315 ? C8 ? F NAG 2 C8 289 1 N 1 A NAG 315 ? O3 ? F NAG 2 O3 290 1 N 1 A NAG 315 ? O6 ? F NAG 2 O6 291 1 N 1 A NAG 315 ? O7 ? F NAG 2 O7 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 1 ? A SER 1 2 1 Y 1 A GLU 2 ? A GLU 2 3 1 Y 1 A ALA 3 ? A ALA 3 4 1 Y 1 A GLN 4 ? A GLN 4 5 1 Y 1 A GLN 5 ? A GLN 5 6 1 Y 1 A LYS 6 ? A LYS 6 7 1 Y 1 A PRO 108 ? A PRO 108 8 1 Y 1 A HIS 301 ? A HIS 301 9 1 Y 1 A HIS 302 ? A HIS 302 10 1 Y 1 C SER 185 ? C SER 182 11 1 Y 1 C GLU 208 ? C GLU 205 12 1 Y 1 C SER 209 ? C SER 206 13 1 Y 1 C SER 210 ? C SER 207 14 1 Y 1 D GLU 1 ? D GLU 1 15 1 Y 1 D ALA 2 ? D ALA 2 16 1 Y 1 D ALA 3 ? D ALA 3 17 1 Y 1 D ALA 97 ? D ALA 96 18 1 Y 1 D GLY 98 ? D GLY 97 19 1 Y 1 D GLY 99 ? D GLY 98 20 1 Y 1 D ASN 100 ? D ASN 99 21 1 Y 1 D TYR 101 ? D TYR 100 22 1 Y 1 D ALA 102 ? D ALA 101 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 N-ACETYL-D-GLUCOSAMINE NAG 6 '(11Z,14E)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide' DB3 7 water HOH # 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 E 5 NAG 1 400 400 NAG NAG A . F 5 NAG 2 401 401 NAG NAG A . G 5 NAG 1 314 314 NAG NAG A . H 5 NAG 2 315 315 NAG NAG A . I 5 NAG 1 501 501 NAG NAG A . J 5 NAG 2 502 502 NAG NAG A . K 6 DB3 1 650 650 DB3 DB3 A . L 7 HOH 1 303 4 HOH HOH A . L 7 HOH 2 304 9 HOH HOH A . L 7 HOH 3 305 11 HOH HOH A . L 7 HOH 4 306 17 HOH HOH A . L 7 HOH 5 307 21 HOH HOH A . L 7 HOH 6 308 33 HOH HOH A . L 7 HOH 7 309 34 HOH HOH A . L 7 HOH 8 310 37 HOH HOH A . L 7 HOH 9 311 42 HOH HOH A . L 7 HOH 10 312 49 HOH HOH A . L 7 HOH 11 313 51 HOH HOH A . L 7 HOH 12 316 52 HOH HOH A . L 7 HOH 13 317 55 HOH HOH A . L 7 HOH 14 318 56 HOH HOH A . M 7 HOH 1 100 2 HOH HOH B . M 7 HOH 2 101 6 HOH HOH B . M 7 HOH 3 102 19 HOH HOH B . M 7 HOH 4 103 30 HOH HOH B . N 7 HOH 1 211 1 HOH HOH C . N 7 HOH 2 212 5 HOH HOH C . N 7 HOH 3 213 10 HOH HOH C . N 7 HOH 4 214 25 HOH HOH C . N 7 HOH 5 215 27 HOH HOH C . N 7 HOH 6 216 40 HOH HOH C . N 7 HOH 7 217 41 HOH HOH C . N 7 HOH 8 218 43 HOH HOH C . N 7 HOH 9 219 44 HOH HOH C . N 7 HOH 10 220 54 HOH HOH C . N 7 HOH 11 221 57 HOH HOH C . O 7 HOH 1 248 15 HOH HOH D . O 7 HOH 2 249 18 HOH HOH D . O 7 HOH 3 250 28 HOH HOH D . O 7 HOH 4 251 29 HOH HOH D . O 7 HOH 5 252 46 HOH HOH D . O 7 HOH 6 253 47 HOH HOH D . #