data_3QUZ # _entry.id 3QUZ # _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 3QUZ RCSB RCSB064136 WWPDB D_1000064136 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3QUX . unspecified PDB 3QUY . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3QUZ _pdbx_database_status.recvd_initial_deposition_date 2011-02-24 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _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 'Li, Y.' 1 'Girardi, E.' 2 'Yu, E.D.' 3 'Zajonc, D.M.' 4 # _citation.id primary _citation.title 'Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.' _citation.journal_abbrev 'Embo J.' _citation.journal_volume 30 _citation.page_first 2294 _citation.page_last 2305 _citation.year 2011 _citation.journal_id_ASTM EMJODG _citation.country UK _citation.journal_id_ISSN 0261-4189 _citation.journal_id_CSD 0897 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21552205 _citation.pdbx_database_id_DOI 10.1038/emboj.2011.145 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Aspeslagh, S.' 1 primary 'Li, Y.' 2 primary 'Yu, E.D.' 3 primary 'Pauwels, N.' 4 primary 'Trappeniers, M.' 5 primary 'Girardi, E.' 6 primary 'Decruy, T.' 7 primary 'Van Beneden, K.' 8 primary 'Venken, K.' 9 primary 'Drennan, M.' 10 primary 'Leybaert, L.' 11 primary 'Wang, J.' 12 primary 'Franck, R.W.' 13 primary 'Van Calenbergh, S.' 14 primary 'Zajonc, D.M.' 15 primary 'Elewaut, D.' 16 # _cell.entry_id 3QUZ _cell.length_a 79.292 _cell.length_b 190.981 _cell.length_c 151.318 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _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 3QUZ _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _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' 32632.668 1 ? ? 'UNP residues 19-297' ? 2 polymer man 'Beta-2 microglobulin' 11660.350 1 ? ? 'UNP residues 21-119' ? 3 polymer man 'Valpha14 (mouse variable domain, human constant domain)' 23055.621 1 ? ? ? ? 4 polymer man 'Vbeta8.2 (mouse variable domain, human constant domain)' 27026.998 1 ? ? ? ? 5 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 7 non-polymer syn ;N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide ; 1026.517 1 ? ? ? ? 8 water nat water 18.015 226 ? ? ? ? # 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 ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; A ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; B ? 3 'polypeptide(L)' no no ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; C ? 4 'polypeptide(L)' no no ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; 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 HIS n 1 281 HIS n 1 282 HIS n 1 283 HIS n 1 284 HIS n 1 285 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 MET n 3 2 LYS n 3 3 THR n 3 4 GLN n 3 5 VAL n 3 6 GLU n 3 7 GLN n 3 8 SER n 3 9 PRO n 3 10 GLN n 3 11 SER n 3 12 LEU n 3 13 VAL n 3 14 VAL n 3 15 ARG n 3 16 GLN n 3 17 GLY n 3 18 GLU n 3 19 ASN n 3 20 CYS n 3 21 VAL n 3 22 LEU n 3 23 GLN n 3 24 CYS n 3 25 ASN n 3 26 TYR n 3 27 SER n 3 28 VAL n 3 29 THR n 3 30 PRO n 3 31 ASP n 3 32 ASN n 3 33 HIS n 3 34 LEU n 3 35 ARG n 3 36 TRP n 3 37 PHE n 3 38 LYS n 3 39 GLN n 3 40 ASP n 3 41 THR n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 LEU n 3 46 VAL n 3 47 SER n 3 48 LEU n 3 49 THR n 3 50 VAL n 3 51 LEU n 3 52 VAL n 3 53 ASP n 3 54 GLN n 3 55 LYS n 3 56 ASP n 3 57 LYS n 3 58 THR n 3 59 SER n 3 60 ASN n 3 61 GLY n 3 62 ARG n 3 63 TYR n 3 64 SER n 3 65 ALA n 3 66 THR n 3 67 LEU n 3 68 ASP n 3 69 LYS n 3 70 ASP n 3 71 ALA n 3 72 LYS n 3 73 HIS n 3 74 SER n 3 75 THR n 3 76 LEU n 3 77 HIS n 3 78 ILE n 3 79 THR n 3 80 ALA n 3 81 THR n 3 82 LEU n 3 83 LEU n 3 84 ASP n 3 85 ASP n 3 86 THR n 3 87 ALA n 3 88 THR n 3 89 TYR n 3 90 ILE n 3 91 CYS n 3 92 VAL n 3 93 VAL n 3 94 GLY n 3 95 ASP n 3 96 ARG n 3 97 GLY n 3 98 SER n 3 99 ALA n 3 100 LEU n 3 101 GLY n 3 102 ARG n 3 103 LEU n 3 104 HIS n 3 105 PHE n 3 106 GLY n 3 107 ALA n 3 108 GLY n 3 109 THR n 3 110 GLN n 3 111 LEU n 3 112 ILE n 3 113 VAL n 3 114 ILE n 3 115 PRO n 3 116 ASP n 3 117 ILE n 3 118 GLN n 3 119 ASN n 3 120 PRO n 3 121 ASP n 3 122 PRO n 3 123 ALA n 3 124 VAL n 3 125 TYR n 3 126 GLN n 3 127 LEU n 3 128 ARG n 3 129 ASP n 3 130 SER n 3 131 LYS n 3 132 SER n 3 133 SER n 3 134 ASP n 3 135 LYS n 3 136 SER n 3 137 VAL n 3 138 CYS n 3 139 LEU n 3 140 PHE n 3 141 THR n 3 142 ASP n 3 143 PHE n 3 144 ASP n 3 145 SER n 3 146 GLN n 3 147 THR n 3 148 ASN n 3 149 VAL n 3 150 SER n 3 151 GLN n 3 152 SER n 3 153 LYS n 3 154 ASP n 3 155 SER n 3 156 ASP n 3 157 VAL n 3 158 TYR n 3 159 ILE n 3 160 THR n 3 161 ASP n 3 162 LYS n 3 163 CYS n 3 164 VAL n 3 165 LEU n 3 166 ASP n 3 167 MET n 3 168 ARG n 3 169 SER n 3 170 MET n 3 171 ASP n 3 172 PHE n 3 173 LYS n 3 174 SER n 3 175 ASN n 3 176 SER n 3 177 ALA n 3 178 VAL n 3 179 ALA n 3 180 TRP n 3 181 SER n 3 182 ASN n 3 183 LYS n 3 184 SER n 3 185 ASP n 3 186 PHE n 3 187 ALA n 3 188 CYS n 3 189 ALA n 3 190 ASN n 3 191 ALA n 3 192 PHE n 3 193 ASN n 3 194 ASN n 3 195 SER n 3 196 ILE n 3 197 ILE n 3 198 PRO n 3 199 GLU n 3 200 ASP n 3 201 THR n 3 202 PHE n 3 203 PHE n 3 204 PRO n 3 205 SER n 3 206 PRO n 3 207 GLU n 3 208 SER n 3 209 SER n 4 1 MET n 4 2 GLU n 4 3 ALA n 4 4 ALA n 4 5 VAL n 4 6 THR n 4 7 GLN n 4 8 SER n 4 9 PRO n 4 10 ARG n 4 11 ASN n 4 12 LYS n 4 13 VAL n 4 14 ALA n 4 15 VAL n 4 16 THR n 4 17 GLY n 4 18 GLY n 4 19 LYS n 4 20 VAL n 4 21 THR n 4 22 LEU n 4 23 SER n 4 24 CYS n 4 25 ASN n 4 26 GLN n 4 27 THR n 4 28 ASN n 4 29 ASN n 4 30 HIS n 4 31 ASN n 4 32 ASN n 4 33 MET n 4 34 TYR n 4 35 TRP n 4 36 TYR n 4 37 ARG n 4 38 GLN n 4 39 ASP n 4 40 THR n 4 41 GLY n 4 42 HIS n 4 43 GLY n 4 44 LEU n 4 45 ARG n 4 46 LEU n 4 47 ILE n 4 48 HIS n 4 49 TYR n 4 50 SER n 4 51 TYR n 4 52 GLY n 4 53 ALA n 4 54 GLY n 4 55 SER n 4 56 THR n 4 57 GLU n 4 58 LYS n 4 59 GLY n 4 60 ASP n 4 61 ILE n 4 62 PRO n 4 63 ASP n 4 64 GLY n 4 65 TYR n 4 66 LYS n 4 67 ALA n 4 68 SER n 4 69 ARG n 4 70 PRO n 4 71 SER n 4 72 GLN n 4 73 GLU n 4 74 ASN n 4 75 PHE n 4 76 SER n 4 77 LEU n 4 78 ILE n 4 79 LEU n 4 80 GLU n 4 81 LEU n 4 82 ALA n 4 83 THR n 4 84 PRO n 4 85 SER n 4 86 GLN n 4 87 THR n 4 88 SER n 4 89 VAL n 4 90 TYR n 4 91 PHE n 4 92 CYS n 4 93 ALA n 4 94 SER n 4 95 GLY n 4 96 ASP n 4 97 GLU n 4 98 GLY n 4 99 TYR n 4 100 THR n 4 101 GLN n 4 102 TYR n 4 103 PHE n 4 104 GLY n 4 105 PRO n 4 106 GLY n 4 107 THR n 4 108 ARG n 4 109 LEU n 4 110 LEU n 4 111 VAL n 4 112 LEU n 4 113 GLU n 4 114 ASP n 4 115 LEU n 4 116 ARG n 4 117 ASN n 4 118 VAL n 4 119 THR n 4 120 PRO n 4 121 PRO n 4 122 LYS n 4 123 VAL n 4 124 SER n 4 125 LEU n 4 126 PHE n 4 127 GLU n 4 128 PRO n 4 129 SER n 4 130 LYS n 4 131 ALA n 4 132 GLU n 4 133 ILE n 4 134 SER n 4 135 HIS n 4 136 THR n 4 137 GLN n 4 138 LYS n 4 139 ALA n 4 140 THR n 4 141 LEU n 4 142 VAL n 4 143 CYS n 4 144 LEU n 4 145 ALA n 4 146 THR n 4 147 GLY n 4 148 PHE n 4 149 TYR n 4 150 PRO n 4 151 ASP n 4 152 HIS n 4 153 VAL n 4 154 GLU n 4 155 LEU n 4 156 SER n 4 157 TRP n 4 158 TRP n 4 159 VAL n 4 160 ASN n 4 161 GLY n 4 162 LYS n 4 163 GLU n 4 164 VAL n 4 165 HIS n 4 166 SER n 4 167 GLY n 4 168 VAL n 4 169 CYS n 4 170 THR n 4 171 ASP n 4 172 PRO n 4 173 GLN n 4 174 PRO n 4 175 LEU n 4 176 LYS n 4 177 GLU n 4 178 GLN n 4 179 PRO n 4 180 ALA n 4 181 LEU n 4 182 ASN n 4 183 ASP n 4 184 SER n 4 185 ARG n 4 186 TYR n 4 187 SER n 4 188 LEU n 4 189 SER n 4 190 SER n 4 191 ARG n 4 192 LEU n 4 193 ARG n 4 194 VAL n 4 195 SER n 4 196 ALA n 4 197 THR n 4 198 PHE n 4 199 TRP n 4 200 GLN n 4 201 ASN n 4 202 PRO n 4 203 ARG n 4 204 ASN n 4 205 HIS n 4 206 PHE n 4 207 ARG n 4 208 CYS n 4 209 GLN n 4 210 VAL n 4 211 GLN n 4 212 PHE n 4 213 TYR n 4 214 GLY n 4 215 LEU n 4 216 SER n 4 217 GLU n 4 218 ASN n 4 219 ASP n 4 220 GLU n 4 221 TRP n 4 222 THR n 4 223 GLN n 4 224 ASP n 4 225 ARG n 4 226 ALA n 4 227 LYS n 4 228 PRO n 4 229 VAL n 4 230 THR n 4 231 GLN n 4 232 ILE n 4 233 VAL n 4 234 SER n 4 235 ALA n 4 236 GLU n 4 237 ALA n 4 238 TRP n 4 239 GLY n 4 240 ARG n 4 241 ALA 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 ? 'Cd1.1, CD1d, Cd1d1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 2 1 sample ? ? ? mouse ? 'B2m, beta-2-microglobulin, mCG_11606, RP23-34E24.5-001' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? 'fall armyworm' 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 3 1 sample ? ? ? mouse ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? BL21DE3 ? ? ? ? ? ? ? ? ? ? ? pET22b ? ? 4 1 sample ? ? ? mouse ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? BL21DE3 ? ? ? ? ? ? ? ? ? ? ? pET30a ? ? # 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 3QUZ 3QUZ 3 ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ? ? 4 PDB 3QUZ 3QUZ 4 ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ? ? # 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 3QUZ A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3QUZ B 1 ? 99 ? Q91XJ8 21 ? 119 ? 1 99 3 3 3QUZ C 1 ? 209 ? 3QUZ -1 ? 210 ? -1 210 4 4 3QUZ D 1 ? 241 ? 3QUZ 0 ? 240 ? 0 240 # 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 3QUZ HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 3QUZ HIS A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3QUZ HIS A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3QUZ HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3QUZ HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3QUZ HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3QUZ HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 # 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 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 QUV non-polymer . ;N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide ; ? 'C61 H107 N3 O9' 1026.517 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 3QUZ _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.03 _exptl_crystal.density_percent_sol 59.47 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pdbx_details '20% polyethylene glycole, 0.2 M ammonium citrate dibasic, VAPOR DIFFUSION, SITTING 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 'MARMOSAIC 325 mm CCD' _diffrn_detector.pdbx_collection_date 2009-12-13 _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 'Double crystal monochromator' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL9-2' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL9-2 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9795 # _reflns.entry_id 3QUZ _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.3 _reflns.number_obs 49413 _reflns.number_all 51365 _reflns.percent_possible_obs 96.2 _reflns.pdbx_Rmerge_I_obs 0.074 _reflns.pdbx_netI_over_sigmaI 21.1 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.6 _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_Rsym_value ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.3 _reflns_shell.d_res_low 2.38 _reflns_shell.percent_possible_all 98.1 _reflns_shell.Rmerge_I_obs 0.586 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.4 _reflns_shell.pdbx_redundancy 4.6 _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_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3QUZ _refine.ls_number_reflns_obs 48500 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 35.38 _refine.ls_d_res_high 2.30 _refine.ls_percent_reflns_obs 99.50 _refine.ls_R_factor_obs 0.19400 _refine.ls_R_factor_R_work 0.19190 _refine.ls_R_factor_R_free 0.23324 _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 2598 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.950 _refine.correlation_coeff_Fo_to_Fc_free 0.929 _refine.B_iso_mean 42.683 _refine.aniso_B[1][1] 0.00 _refine.aniso_B[2][2] -0.01 _refine.aniso_B[3][3] 0.00 _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 'PDB entries 2QY7, 3HE6' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _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 0.204 _refine.overall_SU_ML 0.144 _refine.overall_SU_B 13.179 _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_R_factor_all ? _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 6339 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 139 _refine_hist.number_atoms_solvent 226 _refine_hist.number_atoms_total 6704 _refine_hist.d_res_high 2.30 _refine_hist.d_res_low 35.38 # 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 0.015 0.022 ? 6678 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.513 1.951 ? 9093 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.411 5.000 ? 803 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.959 24.267 ? 307 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 15.720 15.000 ? 1039 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 21.554 15.000 ? 34 'X-RAY DIFFRACTION' ? r_chiral_restr 0.099 0.200 ? 994 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.007 0.021 ? 5097 '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 0.722 1.500 ? 4019 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.439 2.000 ? 6503 'X-RAY DIFFRACTION' ? r_scbond_it 2.431 3.000 ? 2659 'X-RAY DIFFRACTION' ? r_scangle_it 3.790 4.500 ? 2588 '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_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.300 _refine_ls_shell.d_res_low 2.380 _refine_ls_shell.number_reflns_R_work 3485 _refine_ls_shell.R_factor_R_work 0.271 _refine_ls_shell.percent_reflns_obs 98.50 _refine_ls_shell.R_factor_R_free 0.357 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 185 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3QUZ _struct.title 'Structure of the mouse CD1d-NU-alpha-GalCer-iNKT TCR complex' _struct.pdbx_descriptor ;Antigen-presenting glycoprotein CD1d1, Beta-2 microglobulin, Valpha14 (mouse variable domain, human constant domain), Vbeta8.2 (mouse variable domain, human constant domain) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3QUZ _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'antigen presentation, glycolipid, NKT cells, 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 6 ? J N N 7 ? K N N 8 ? L N N 8 ? M N N 8 ? N N N 8 ? # _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 ? SER A 89 ? SER A 59 SER A 89 1 ? 31 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 ? ASP A 153 ? LEU A 143 ASP A 153 1 ? 11 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 LEU C 82 ? THR C 86 ? LEU C 81 THR C 85 5 ? 5 HELX_P HELX_P9 9 ARG C 168 ? ASP C 171 ? ARG C 169 ASP C 172 5 ? 4 HELX_P HELX_P10 10 ALA C 187 ? PHE C 192 ? ALA C 188 PHE C 193 1 ? 6 HELX_P HELX_P11 11 THR D 83 ? THR D 87 ? THR D 82 THR D 86 5 ? 5 HELX_P HELX_P12 12 SER D 129 ? GLN D 137 ? SER D 128 GLN D 136 1 ? 9 HELX_P HELX_P13 13 ALA D 196 ? ASN D 201 ? ALA D 195 ASN D 200 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 ? ? ? ? ? ? ? 2.850 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.054 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.057 ? disulf4 disulf ? ? C CYS 24 SG ? ? ? 1_555 C CYS 91 SG ? ? C CYS 22 C CYS 90 1_555 ? ? ? ? ? ? ? 2.105 ? disulf5 disulf ? ? C CYS 138 SG ? ? ? 1_555 C CYS 188 SG ? ? C CYS 139 C CYS 189 1_555 ? ? ? ? ? ? ? 2.076 ? disulf6 disulf ? ? C CYS 163 SG ? ? ? 1_555 D CYS 169 SG ? ? C CYS 164 D CYS 168 1_555 ? ? ? ? ? ? ? 2.054 ? disulf7 disulf ? ? D CYS 24 SG ? ? ? 1_555 D CYS 92 SG ? ? D CYS 23 D CYS 91 1_555 ? ? ? ? ? ? ? 2.040 ? disulf8 disulf ? ? D CYS 143 SG ? ? ? 1_555 D CYS 208 SG ? ? D CYS 142 D CYS 207 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 165 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 165 A NAG 511 1_555 ? ? ? ? ? ? ? 1.414 ? covale2 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 511 A NAG 512 1_555 ? ? ? ? ? ? ? 1.439 ? covale3 covale ? ? A ASN 20 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 20 A NAG 500 1_555 ? ? ? ? ? ? ? 1.453 ? covale4 covale ? ? A ASN 42 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 42 A NAG 501 1_555 ? ? ? ? ? ? ? 1.453 ? covale5 covale ? ? G NAG . O6 ? ? ? 1_555 I FUC . C1 ? ? A NAG 511 A FUC 513 1_555 ? ? ? ? ? ? ? 1.465 ? # 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 SER 89 A . ? SER 89 A PRO 90 A ? PRO 90 A 1 -3.40 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 0.33 3 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 0.12 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 5.59 5 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 1.40 6 SER 8 C . ? SER 6 C PRO 9 C ? PRO 7 C 1 -4.88 7 THR 29 C . ? THR 27 C PRO 30 C ? PRO 28 C 1 -11.85 8 SER 8 D . ? SER 7 D PRO 9 D ? PRO 8 D 1 -5.48 9 TYR 149 D . ? TYR 148 D PRO 150 D ? PRO 149 D 1 -6.54 # 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 ? 4 ? N ? 6 ? O ? 4 ? P ? 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 M 2 3 ? anti-parallel M 3 4 ? anti-parallel N 1 2 ? parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel N 4 5 ? anti-parallel N 5 6 ? anti-parallel O 1 2 ? parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel P 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 ? SER A 195 ? VAL A 190 SER A 195 B 2 LEU A 206 ? PHE A 213 ? LEU A 206 PHE A 213 B 3 TRP A 245 ? LEU A 251 ? TRP A 245 LEU A 251 B 4 HIS A 233 ? ARG A 234 ? HIS A 233 ARG A 234 C 1 VAL A 190 ? SER A 195 ? VAL A 190 SER A 195 C 2 LEU A 206 ? PHE A 213 ? LEU A 206 PHE A 213 C 3 TRP A 245 ? LEU A 251 ? TRP A 245 LEU A 251 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 GLU B 36 ? LYS B 41 ? GLU B 36 LYS B 41 G 3 TYR B 78 ? LYS B 83 ? TYR B 78 LYS B 83 G 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 H 1 VAL C 5 ? SER C 8 ? VAL C 3 SER C 6 H 2 CYS C 20 ? TYR C 26 ? CYS C 18 TYR C 24 H 3 HIS C 73 ? ILE C 78 ? HIS C 72 ILE C 77 H 4 TYR C 63 ? ASP C 68 ? TYR C 62 ASP C 67 H 5 LYS C 55 ? ASN C 60 ? LYS C 53 ASN C 58 I 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 I 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 I 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 I 4 HIS C 33 ? GLN C 39 ? HIS C 31 GLN C 37 I 5 VAL C 46 ? LEU C 51 ? VAL C 44 LEU C 49 J 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 J 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 J 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 J 4 LEU C 103 ? PHE C 105 ? LEU C 104 PHE C 106 K 1 VAL C 157 ? ILE C 159 ? VAL C 158 ILE C 160 K 2 PHE C 172 ? SER C 181 ? PHE C 173 SER C 182 K 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 K 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 K 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 K 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 K 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 K 8 VAL D 168 ? THR D 170 ? VAL D 167 THR D 169 L 1 CYS C 163 ? MET C 167 ? CYS C 164 MET C 168 L 2 PHE C 172 ? SER C 181 ? PHE C 173 SER C 182 L 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 L 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 L 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 L 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 L 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 L 8 LEU D 175 ? LYS D 176 ? LEU D 174 LYS D 175 M 1 VAL D 5 ? SER D 8 ? VAL D 4 SER D 7 M 2 VAL D 20 ? GLN D 26 ? VAL D 19 GLN D 25 M 3 ASN D 74 ? LEU D 79 ? ASN D 73 LEU D 78 M 4 LYS D 66 ? SER D 68 ? LYS D 65 SER D 67 N 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 N 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 N 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 N 4 ASN D 32 ? GLN D 38 ? ASN D 31 GLN D 37 N 5 ARG D 45 ? SER D 50 ? ARG D 44 SER D 49 N 6 GLU D 57 ? LYS D 58 ? GLU D 56 LYS D 57 O 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 O 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 O 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 O 4 TYR D 102 ? PHE D 103 ? TYR D 101 PHE D 102 P 1 LYS D 162 ? VAL D 164 ? LYS D 161 VAL D 163 P 2 VAL D 153 ? VAL D 159 ? VAL D 152 VAL D 158 P 3 HIS D 205 ? PHE D 212 ? HIS D 204 PHE D 211 P 4 GLN D 231 ? TRP D 238 ? GLN D 230 TRP D 237 # 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 TRP A 40 ? O TRP A 40 N SER A 28 ? N SER A 28 A 3 4 O VAL A 29 ? O VAL A 29 N LEU A 13 ? N LEU A 13 A 4 5 N CYS A 12 ? N CYS A 12 O ALA A 102 ? O ALA A 102 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 TRP A 129 ? N TRP A 129 O SER A 132 ? O SER A 132 B 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 B 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 C 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 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 223 ? N MET A 223 O ALA A 262 ? O ALA A 262 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 LEU B 40 ? N LEU B 40 O ALA B 79 ? O ALA B 79 G 3 4 N CYS B 80 ? N CYS B 80 O VAL B 93 ? O VAL B 93 H 1 2 N GLU C 6 ? N GLU C 4 O ASN C 25 ? O ASN C 23 H 2 3 N CYS C 20 ? N CYS C 18 O ILE C 78 ? O ILE C 77 H 3 4 O HIS C 77 ? O HIS C 76 N SER C 64 ? N SER C 63 H 4 5 O LEU C 67 ? O LEU C 66 N ASP C 56 ? N ASP C 54 I 1 2 N VAL C 14 ? N VAL C 12 O ILE C 112 ? O ILE C 113 I 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 I 3 4 O VAL C 92 ? O VAL C 91 N ARG C 35 ? N ARG C 33 I 4 5 N TRP C 36 ? N TRP C 34 O LEU C 48 ? O LEU C 46 J 1 2 N VAL C 14 ? N VAL C 12 O ILE C 112 ? O ILE C 113 J 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 J 3 4 N VAL C 93 ? N VAL C 92 O HIS C 104 ? O HIS C 105 K 1 2 N TYR C 158 ? N TYR C 159 O TRP C 180 ? O TRP C 181 K 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 K 3 4 O THR C 141 ? O THR C 142 N ALA C 123 ? N ALA C 124 K 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 K 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 K 6 7 N LEU D 141 ? N LEU D 140 O LEU D 192 ? O LEU D 191 K 7 8 O ARG D 191 ? O ARG D 190 N CYS D 169 ? N CYS D 168 L 1 2 N MET C 167 ? N MET C 168 O PHE C 172 ? O PHE C 173 L 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 L 3 4 O THR C 141 ? O THR C 142 N ALA C 123 ? N ALA C 124 L 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 L 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 L 6 7 N LEU D 141 ? N LEU D 140 O LEU D 192 ? O LEU D 191 L 7 8 O SER D 187 ? O SER D 186 N LEU D 175 ? N LEU D 174 M 1 2 N SER D 8 ? N SER D 7 O SER D 23 ? O SER D 22 M 2 3 N LEU D 22 ? N LEU D 21 O LEU D 77 ? O LEU D 76 M 3 4 O ILE D 78 ? O ILE D 77 N LYS D 66 ? N LYS D 65 N 1 2 N ALA D 14 ? N ALA D 13 O LEU D 112 ? O LEU D 111 N 2 3 O LEU D 109 ? O LEU D 108 N SER D 88 ? N SER D 87 N 3 4 O PHE D 91 ? O PHE D 90 N TYR D 36 ? N TYR D 35 N 4 5 N TRP D 35 ? N TRP D 34 O ILE D 47 ? O ILE D 46 N 5 6 N TYR D 49 ? N TYR D 48 O GLU D 57 ? O GLU D 56 O 1 2 N ALA D 14 ? N ALA D 13 O LEU D 112 ? O LEU D 111 O 2 3 O LEU D 109 ? O LEU D 108 N SER D 88 ? N SER D 87 O 3 4 N SER D 94 ? N SER D 93 O TYR D 102 ? O TYR D 101 P 1 2 O LYS D 162 ? O LYS D 161 N VAL D 159 ? N VAL D 158 P 2 3 N SER D 156 ? N SER D 155 O GLN D 209 ? O GLN D 208 P 3 4 N PHE D 206 ? N PHE D 205 O ALA D 237 ? O ALA 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 500' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 501' AC3 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 511' AC4 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 512' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC A 513' AC6 Software ? ? ? ? 23 'BINDING SITE FOR RESIDUE QUV A 286' # 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 ALA A 19 ? ALA A 19 . ? 1_555 ? 2 AC1 3 ASN A 20 ? ASN A 20 . ? 1_555 ? 3 AC1 3 TRP A 23 ? TRP A 23 . ? 1_555 ? 4 AC2 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 5 AC2 4 SER A 24 ? SER A 24 . ? 1_555 ? 6 AC2 4 ASN A 42 ? ASN A 42 . ? 1_555 ? 7 AC2 4 HOH K . ? HOH A 296 . ? 1_555 ? 8 AC3 4 GLN A 161 ? GLN A 161 . ? 1_555 ? 9 AC3 4 ASN A 165 ? ASN A 165 . ? 1_555 ? 10 AC3 4 NAG H . ? NAG A 512 . ? 1_555 ? 11 AC3 4 FUC I . ? FUC A 513 . ? 1_555 ? 12 AC4 2 GLY A 130 ? GLY A 130 . ? 1_555 ? 13 AC4 2 NAG G . ? NAG A 511 . ? 1_555 ? 14 AC5 4 SER A 114 ? SER A 114 . ? 1_555 ? 15 AC5 4 GLY A 130 ? GLY A 130 . ? 1_555 ? 16 AC5 4 ASN A 165 ? ASN A 165 . ? 1_555 ? 17 AC5 4 NAG G . ? NAG A 511 . ? 1_555 ? 18 AC6 23 CYS A 12 ? CYS A 12 . ? 1_555 ? 19 AC6 23 MET A 69 ? MET A 69 . ? 1_555 ? 20 AC6 23 PHE A 70 ? PHE A 70 . ? 1_555 ? 21 AC6 23 TYR A 73 ? TYR A 73 . ? 1_555 ? 22 AC6 23 SER A 76 ? SER A 76 . ? 1_555 ? 23 AC6 23 ASP A 80 ? ASP A 80 . ? 1_555 ? 24 AC6 23 LEU A 100 ? LEU A 100 . ? 1_555 ? 25 AC6 23 TRP A 133 ? TRP A 133 . ? 1_555 ? 26 AC6 23 ASP A 153 ? ASP A 153 . ? 1_555 ? 27 AC6 23 GLY A 155 ? GLY A 155 . ? 1_555 ? 28 AC6 23 THR A 156 ? THR A 156 . ? 1_555 ? 29 AC6 23 THR A 159 ? THR A 159 . ? 1_555 ? 30 AC6 23 LEU A 163 ? LEU A 163 . ? 1_555 ? 31 AC6 23 CYS A 168 ? CYS A 168 . ? 1_555 ? 32 AC6 23 PHE A 171 ? PHE A 171 . ? 1_555 ? 33 AC6 23 HOH K . ? HOH A 291 . ? 1_555 ? 34 AC6 23 HOH K . ? HOH A 309 . ? 1_555 ? 35 AC6 23 HOH K . ? HOH A 318 . ? 1_555 ? 36 AC6 23 HOH K . ? HOH A 365 . ? 1_555 ? 37 AC6 23 PRO C 30 ? PRO C 28 . ? 1_555 ? 38 AC6 23 ASN C 32 ? ASN C 30 . ? 1_555 ? 39 AC6 23 ARG C 96 ? ARG C 95 . ? 1_555 ? 40 AC6 23 GLY C 97 ? GLY C 96 . ? 1_555 ? # _database_PDB_matrix.entry_id 3QUZ _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 3QUZ _atom_sites.fract_transf_matrix[1][1] 0.012612 _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] 0.005236 _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] 0.006609 _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 ? -39.875 1.401 17.202 1.00 48.35 ? 7 ASN A N 1 ATOM 2 C CA . ASN A 1 7 ? -40.503 0.107 16.754 1.00 47.84 ? 7 ASN A CA 1 ATOM 3 C C . ASN A 1 7 ? -39.757 -1.051 17.352 1.00 45.15 ? 7 ASN A C 1 ATOM 4 O O . ASN A 1 7 ? -38.524 -1.078 17.296 1.00 46.15 ? 7 ASN A O 1 ATOM 5 C CB . ASN A 1 7 ? -40.532 -0.039 15.222 1.00 48.12 ? 7 ASN A CB 1 ATOM 6 C CG . ASN A 1 7 ? -41.191 1.159 14.525 1.00 54.02 ? 7 ASN A CG 1 ATOM 7 O OD1 . ASN A 1 7 ? -41.885 1.972 15.165 1.00 56.99 ? 7 ASN A OD1 1 ATOM 8 N ND2 . ASN A 1 7 ? -40.965 1.281 13.207 1.00 56.80 ? 7 ASN A ND2 1 ATOM 9 N N . TYR A 1 8 ? -40.490 -1.987 17.946 1.00 42.10 ? 8 TYR A N 1 ATOM 10 C CA . TYR A 1 8 ? -39.888 -3.188 18.488 1.00 39.19 ? 8 TYR A CA 1 ATOM 11 C C . TYR A 1 8 ? -40.554 -4.406 17.869 1.00 37.71 ? 8 TYR A C 1 ATOM 12 O O . TYR A 1 8 ? -41.774 -4.391 17.612 1.00 38.63 ? 8 TYR A O 1 ATOM 13 C CB . TYR A 1 8 ? -40.050 -3.239 20.010 1.00 39.15 ? 8 TYR A CB 1 ATOM 14 C CG . TYR A 1 8 ? -39.127 -2.302 20.766 1.00 41.28 ? 8 TYR A CG 1 ATOM 15 C CD1 . TYR A 1 8 ? -39.561 -1.021 21.159 1.00 43.03 ? 8 TYR A CD1 1 ATOM 16 C CD2 . TYR A 1 8 ? -37.813 -2.681 21.069 1.00 41.83 ? 8 TYR A CD2 1 ATOM 17 C CE1 . TYR A 1 8 ? -38.708 -0.135 21.857 1.00 46.92 ? 8 TYR A CE1 1 ATOM 18 C CE2 . TYR A 1 8 ? -36.932 -1.792 21.750 1.00 44.37 ? 8 TYR A CE2 1 ATOM 19 C CZ . TYR A 1 8 ? -37.392 -0.529 22.151 1.00 47.14 ? 8 TYR A CZ 1 ATOM 20 O OH . TYR A 1 8 ? -36.534 0.336 22.832 1.00 51.23 ? 8 TYR A OH 1 ATOM 21 N N . THR A 1 9 ? -39.771 -5.455 17.622 1.00 34.32 ? 9 THR A N 1 ATOM 22 C CA . THR A 1 9 ? -40.340 -6.713 17.188 1.00 31.21 ? 9 THR A CA 1 ATOM 23 C C . THR A 1 9 ? -40.217 -7.714 18.310 1.00 28.82 ? 9 THR A C 1 ATOM 24 O O . THR A 1 9 ? -39.166 -7.913 18.904 1.00 28.33 ? 9 THR A O 1 ATOM 25 C CB . THR A 1 9 ? -39.676 -7.223 15.885 1.00 31.57 ? 9 THR A CB 1 ATOM 26 O OG1 . THR A 1 9 ? -39.729 -6.186 14.914 1.00 33.53 ? 9 THR A OG1 1 ATOM 27 C CG2 . THR A 1 9 ? -40.388 -8.429 15.313 1.00 29.35 ? 9 THR A CG2 1 ATOM 28 N N . PHE A 1 10 ? -41.344 -8.318 18.615 1.00 27.31 ? 10 PHE A N 1 ATOM 29 C CA . PHE A 1 10 ? -41.425 -9.360 19.555 1.00 25.27 ? 10 PHE A CA 1 ATOM 30 C C . PHE A 1 10 ? -41.472 -10.692 18.785 1.00 23.96 ? 10 PHE A C 1 ATOM 31 O O . PHE A 1 10 ? -42.321 -10.863 17.923 1.00 24.36 ? 10 PHE A O 1 ATOM 32 C CB . PHE A 1 10 ? -42.673 -9.104 20.385 1.00 25.47 ? 10 PHE A CB 1 ATOM 33 C CG . PHE A 1 10 ? -42.989 -10.178 21.361 1.00 23.50 ? 10 PHE A CG 1 ATOM 34 C CD1 . PHE A 1 10 ? -42.314 -10.255 22.575 1.00 25.22 ? 10 PHE A CD1 1 ATOM 35 C CD2 . PHE A 1 10 ? -43.995 -11.084 21.091 1.00 22.91 ? 10 PHE A CD2 1 ATOM 36 C CE1 . PHE A 1 10 ? -42.628 -11.245 23.524 1.00 21.35 ? 10 PHE A CE1 1 ATOM 37 C CE2 . PHE A 1 10 ? -44.318 -12.081 22.014 1.00 24.66 ? 10 PHE A CE2 1 ATOM 38 C CZ . PHE A 1 10 ? -43.608 -12.152 23.244 1.00 24.33 ? 10 PHE A CZ 1 ATOM 39 N N . ARG A 1 11 ? -40.562 -11.611 19.094 1.00 22.59 ? 11 ARG A N 1 ATOM 40 C CA . ARG A 1 11 ? -40.462 -12.896 18.378 1.00 22.71 ? 11 ARG A CA 1 ATOM 41 C C . ARG A 1 11 ? -40.402 -14.086 19.342 1.00 22.08 ? 11 ARG A C 1 ATOM 42 O O . ARG A 1 11 ? -39.519 -14.135 20.212 1.00 22.12 ? 11 ARG A O 1 ATOM 43 C CB . ARG A 1 11 ? -39.181 -12.962 17.541 1.00 22.77 ? 11 ARG A CB 1 ATOM 44 C CG . ARG A 1 11 ? -39.107 -12.120 16.346 1.00 25.25 ? 11 ARG A CG 1 ATOM 45 C CD . ARG A 1 11 ? -37.679 -12.143 15.775 1.00 30.15 ? 11 ARG A CD 1 ATOM 46 N NE . ARG A 1 11 ? -37.638 -11.367 14.539 1.00 31.78 ? 11 ARG A NE 1 ATOM 47 C CZ . ARG A 1 11 ? -37.177 -10.127 14.434 1.00 36.83 ? 11 ARG A CZ 1 ATOM 48 N NH1 . ARG A 1 11 ? -36.656 -9.481 15.491 1.00 38.31 ? 11 ARG A NH1 1 ATOM 49 N NH2 . ARG A 1 11 ? -37.211 -9.526 13.247 1.00 40.24 ? 11 ARG A NH2 1 ATOM 50 N N . CYS A 1 12 ? -41.337 -15.015 19.178 1.00 21.31 ? 12 CYS A N 1 ATOM 51 C CA . CYS A 1 12 ? -41.305 -16.326 19.827 1.00 22.09 ? 12 CYS A CA 1 ATOM 52 C C . CYS A 1 12 ? -40.766 -17.288 18.816 1.00 21.61 ? 12 CYS A C 1 ATOM 53 O O . CYS A 1 12 ? -41.356 -17.467 17.754 1.00 21.96 ? 12 CYS A O 1 ATOM 54 C CB . CYS A 1 12 ? -42.721 -16.757 20.172 1.00 21.24 ? 12 CYS A CB 1 ATOM 55 S SG . CYS A 1 12 ? -43.538 -15.528 21.231 1.00 28.89 ? 12 CYS A SG 1 ATOM 56 N N . LEU A 1 13 ? -39.638 -17.904 19.119 1.00 21.53 ? 13 LEU A N 1 ATOM 57 C CA . LEU A 1 13 ? -38.989 -18.778 18.163 1.00 21.23 ? 13 LEU A CA 1 ATOM 58 C C . LEU A 1 13 ? -39.009 -20.188 18.746 1.00 21.84 ? 13 LEU A C 1 ATOM 59 O O . LEU A 1 13 ? -38.442 -20.443 19.829 1.00 24.01 ? 13 LEU A O 1 ATOM 60 C CB . LEU A 1 13 ? -37.552 -18.327 17.957 1.00 20.78 ? 13 LEU A CB 1 ATOM 61 C CG . LEU A 1 13 ? -37.348 -16.867 17.544 1.00 21.03 ? 13 LEU A CG 1 ATOM 62 C CD1 . LEU A 1 13 ? -35.875 -16.652 17.321 1.00 20.63 ? 13 LEU A CD1 1 ATOM 63 C CD2 . LEU A 1 13 ? -38.147 -16.495 16.272 1.00 20.47 ? 13 LEU A CD2 1 ATOM 64 N N . GLN A 1 14 ? -39.640 -21.096 18.031 1.00 21.00 ? 14 GLN A N 1 ATOM 65 C CA . GLN A 1 14 ? -39.728 -22.503 18.414 1.00 20.82 ? 14 GLN A CA 1 ATOM 66 C C . GLN A 1 14 ? -38.858 -23.315 17.445 1.00 21.75 ? 14 GLN A C 1 ATOM 67 O O . GLN A 1 14 ? -38.926 -23.110 16.213 1.00 21.82 ? 14 GLN A O 1 ATOM 68 C CB . GLN A 1 14 ? -41.176 -22.972 18.315 1.00 19.00 ? 14 GLN A CB 1 ATOM 69 C CG . GLN A 1 14 ? -41.342 -24.468 18.594 1.00 22.84 ? 14 GLN A CG 1 ATOM 70 C CD . GLN A 1 14 ? -42.768 -24.917 18.383 1.00 24.45 ? 14 GLN A CD 1 ATOM 71 O OE1 . GLN A 1 14 ? -43.694 -24.121 18.508 1.00 26.42 ? 14 GLN A OE1 1 ATOM 72 N NE2 . GLN A 1 14 ? -42.957 -26.191 18.040 1.00 22.96 ? 14 GLN A NE2 1 ATOM 73 N N . MET A 1 15 ? -38.045 -24.221 17.992 1.00 21.25 ? 15 MET A N 1 ATOM 74 C CA . MET A 1 15 ? -37.231 -25.125 17.188 1.00 23.19 ? 15 MET A CA 1 ATOM 75 C C . MET A 1 15 ? -37.620 -26.544 17.577 1.00 22.52 ? 15 MET A C 1 ATOM 76 O O . MET A 1 15 ? -37.458 -26.913 18.741 1.00 22.49 ? 15 MET A O 1 ATOM 77 C CB . MET A 1 15 ? -35.735 -24.993 17.550 1.00 24.60 ? 15 MET A CB 1 ATOM 78 C CG . MET A 1 15 ? -35.227 -23.658 17.343 1.00 31.28 ? 15 MET A CG 1 ATOM 79 S SD . MET A 1 15 ? -33.947 -23.085 18.462 1.00 38.16 ? 15 MET A SD 1 ATOM 80 C CE . MET A 1 15 ? -34.915 -21.951 19.446 1.00 32.32 ? 15 MET A CE 1 ATOM 81 N N . SER A 1 16 ? -38.089 -27.344 16.629 1.00 22.29 ? 16 SER A N 1 ATOM 82 C CA . SER A 1 16 ? -38.441 -28.754 16.934 1.00 22.52 ? 16 SER A CA 1 ATOM 83 C C . SER A 1 16 ? -37.710 -29.720 16.015 1.00 23.76 ? 16 SER A C 1 ATOM 84 O O . SER A 1 16 ? -37.724 -29.533 14.814 1.00 23.63 ? 16 SER A O 1 ATOM 85 C CB . SER A 1 16 ? -39.921 -28.950 16.797 1.00 21.78 ? 16 SER A CB 1 ATOM 86 O OG . SER A 1 16 ? -40.655 -28.049 17.608 1.00 23.13 ? 16 SER A OG 1 ATOM 87 N N . SER A 1 17 ? -37.031 -30.706 16.597 1.00 24.85 ? 17 SER A N 1 ATOM 88 C CA . SER A 1 17 ? -36.333 -31.766 15.870 1.00 26.96 ? 17 SER A CA 1 ATOM 89 C C . SER A 1 17 ? -37.059 -33.065 16.096 1.00 26.81 ? 17 SER A C 1 ATOM 90 O O . SER A 1 17 ? -37.456 -33.364 17.237 1.00 27.83 ? 17 SER A O 1 ATOM 91 C CB . SER A 1 17 ? -34.929 -32.004 16.447 1.00 28.17 ? 17 SER A CB 1 ATOM 92 O OG . SER A 1 17 ? -34.141 -30.877 16.245 1.00 31.42 ? 17 SER A OG 1 ATOM 93 N N . PHE A 1 18 ? -37.173 -33.850 15.041 1.00 25.53 ? 18 PHE A N 1 ATOM 94 C CA . PHE A 1 18 ? -37.823 -35.144 15.112 1.00 25.95 ? 18 PHE A CA 1 ATOM 95 C C . PHE A 1 18 ? -36.849 -36.083 14.434 1.00 27.54 ? 18 PHE A C 1 ATOM 96 O O . PHE A 1 18 ? -36.671 -35.989 13.226 1.00 26.54 ? 18 PHE A O 1 ATOM 97 C CB . PHE A 1 18 ? -39.126 -35.115 14.316 1.00 24.60 ? 18 PHE A CB 1 ATOM 98 C CG . PHE A 1 18 ? -40.164 -34.243 14.899 1.00 22.88 ? 18 PHE A CG 1 ATOM 99 C CD1 . PHE A 1 18 ? -40.175 -32.870 14.627 1.00 23.44 ? 18 PHE A CD1 1 ATOM 100 C CD2 . PHE A 1 18 ? -41.185 -34.796 15.687 1.00 22.97 ? 18 PHE A CD2 1 ATOM 101 C CE1 . PHE A 1 18 ? -41.161 -32.038 15.186 1.00 23.31 ? 18 PHE A CE1 1 ATOM 102 C CE2 . PHE A 1 18 ? -42.184 -34.000 16.228 1.00 23.07 ? 18 PHE A CE2 1 ATOM 103 C CZ . PHE A 1 18 ? -42.176 -32.615 15.993 1.00 24.36 ? 18 PHE A CZ 1 ATOM 104 N N . ALA A 1 19 ? -36.150 -36.908 15.213 1.00 30.17 ? 19 ALA A N 1 ATOM 105 C CA . ALA A 1 19 ? -35.071 -37.753 14.671 1.00 33.74 ? 19 ALA A CA 1 ATOM 106 C C . ALA A 1 19 ? -35.584 -39.015 14.016 1.00 36.17 ? 19 ALA A C 1 ATOM 107 O O . ALA A 1 19 ? -34.911 -39.568 13.145 1.00 38.69 ? 19 ALA A O 1 ATOM 108 C CB . ALA A 1 19 ? -34.040 -38.116 15.763 1.00 35.62 ? 19 ALA A CB 1 ATOM 109 N N . ASN A 1 20 ? -36.748 -39.487 14.463 1.00 36.21 ? 20 ASN A N 1 ATOM 110 C CA . ASN A 1 20 ? -37.389 -40.697 13.937 1.00 38.41 ? 20 ASN A CA 1 ATOM 111 C C . ASN A 1 20 ? -38.790 -40.754 14.546 1.00 38.00 ? 20 ASN A C 1 ATOM 112 O O . ASN A 1 20 ? -39.232 -39.770 15.126 1.00 35.27 ? 20 ASN A O 1 ATOM 113 C CB . ASN A 1 20 ? -36.577 -41.979 14.246 1.00 40.71 ? 20 ASN A CB 1 ATOM 114 C CG . ASN A 1 20 ? -36.210 -42.088 15.711 1.00 44.59 ? 20 ASN A CG 1 ATOM 115 O OD1 . ASN A 1 20 ? -37.076 -41.895 16.593 1.00 43.21 ? 20 ASN A OD1 1 ATOM 116 N ND2 . ASN A 1 20 ? -34.931 -42.379 15.994 1.00 47.76 ? 20 ASN A ND2 1 ATOM 117 N N . ARG A 1 21 ? -39.457 -41.908 14.433 1.00 40.47 ? 21 ARG A N 1 ATOM 118 C CA . ARG A 1 21 ? -40.836 -42.100 14.900 1.00 41.36 ? 21 ARG A CA 1 ATOM 119 C C . ARG A 1 21 ? -41.049 -41.816 16.403 1.00 41.18 ? 21 ARG A C 1 ATOM 120 O O . ARG A 1 21 ? -42.144 -41.388 16.777 1.00 40.51 ? 21 ARG A O 1 ATOM 121 C CB . ARG A 1 21 ? -41.353 -43.510 14.540 1.00 43.84 ? 21 ARG A CB 1 ATOM 122 C CG . ARG A 1 21 ? -42.885 -43.666 14.570 1.00 48.63 ? 21 ARG A CG 1 ATOM 123 C CD . ARG A 1 21 ? -43.399 -45.118 14.320 1.00 57.39 ? 21 ARG A CD 1 ATOM 124 N NE . ARG A 1 21 ? -43.452 -45.440 12.888 1.00 61.99 ? 21 ARG A NE 1 ATOM 125 C CZ . ARG A 1 21 ? -44.530 -45.306 12.107 1.00 61.60 ? 21 ARG A CZ 1 ATOM 126 N NH1 . ARG A 1 21 ? -45.668 -44.867 12.606 1.00 57.42 ? 21 ARG A NH1 1 ATOM 127 N NH2 . ARG A 1 21 ? -44.469 -45.635 10.815 1.00 64.10 ? 21 ARG A NH2 1 ATOM 128 N N . SER A 1 22 ? -40.027 -42.015 17.244 1.00 42.12 ? 22 SER A N 1 ATOM 129 C CA . SER A 1 22 ? -40.185 -41.864 18.694 1.00 42.61 ? 22 SER A CA 1 ATOM 130 C C . SER A 1 22 ? -39.614 -40.582 19.299 1.00 41.87 ? 22 SER A C 1 ATOM 131 O O . SER A 1 22 ? -40.311 -39.897 20.070 1.00 42.92 ? 22 SER A O 1 ATOM 132 C CB . SER A 1 22 ? -39.661 -43.093 19.468 1.00 46.19 ? 22 SER A CB 1 ATOM 133 O OG . SER A 1 22 ? -38.738 -43.899 18.745 1.00 46.96 ? 22 SER A OG 1 ATOM 134 N N . TRP A 1 23 ? -38.393 -40.227 18.909 1.00 40.44 ? 23 TRP A N 1 ATOM 135 C CA . TRP A 1 23 ? -37.598 -39.151 19.512 1.00 37.74 ? 23 TRP A CA 1 ATOM 136 C C . TRP A 1 23 ? -37.864 -37.771 18.916 1.00 35.67 ? 23 TRP A C 1 ATOM 137 O O . TRP A 1 23 ? -37.804 -37.573 17.697 1.00 34.97 ? 23 TRP A O 1 ATOM 138 C CB . TRP A 1 23 ? -36.143 -39.502 19.274 1.00 39.16 ? 23 TRP A CB 1 ATOM 139 C CG . TRP A 1 23 ? -35.136 -38.774 20.069 1.00 38.72 ? 23 TRP A CG 1 ATOM 140 C CD1 . TRP A 1 23 ? -34.493 -39.248 21.159 1.00 38.04 ? 23 TRP A CD1 1 ATOM 141 C CD2 . TRP A 1 23 ? -34.592 -37.462 19.810 1.00 35.91 ? 23 TRP A CD2 1 ATOM 142 N NE1 . TRP A 1 23 ? -33.590 -38.333 21.611 1.00 38.40 ? 23 TRP A NE1 1 ATOM 143 C CE2 . TRP A 1 23 ? -33.625 -37.218 20.808 1.00 37.41 ? 23 TRP A CE2 1 ATOM 144 C CE3 . TRP A 1 23 ? -34.841 -36.465 18.841 1.00 35.00 ? 23 TRP A CE3 1 ATOM 145 C CZ2 . TRP A 1 23 ? -32.878 -36.013 20.872 1.00 33.34 ? 23 TRP A CZ2 1 ATOM 146 C CZ3 . TRP A 1 23 ? -34.110 -35.251 18.900 1.00 32.58 ? 23 TRP A CZ3 1 ATOM 147 C CH2 . TRP A 1 23 ? -33.143 -35.043 19.913 1.00 35.15 ? 23 TRP A CH2 1 ATOM 148 N N . SER A 1 24 ? -38.157 -36.799 19.776 1.00 34.42 ? 24 SER A N 1 ATOM 149 C CA . SER A 1 24 ? -38.247 -35.407 19.366 1.00 31.87 ? 24 SER A CA 1 ATOM 150 C C . SER A 1 24 ? -37.964 -34.504 20.552 1.00 30.85 ? 24 SER A C 1 ATOM 151 O O . SER A 1 24 ? -38.097 -34.911 21.706 1.00 30.66 ? 24 SER A O 1 ATOM 152 C CB . SER A 1 24 ? -39.618 -35.085 18.827 1.00 30.94 ? 24 SER A CB 1 ATOM 153 O OG . SER A 1 24 ? -40.529 -35.138 19.891 1.00 34.51 ? 24 SER A OG 1 ATOM 154 N N . ARG A 1 25 ? -37.541 -33.279 20.270 1.00 29.16 ? 25 ARG A N 1 ATOM 155 C CA . ARG A 1 25 ? -37.474 -32.291 21.331 1.00 28.60 ? 25 ARG A CA 1 ATOM 156 C C . ARG A 1 25 ? -37.922 -30.960 20.778 1.00 26.55 ? 25 ARG A C 1 ATOM 157 O O . ARG A 1 25 ? -37.780 -30.693 19.575 1.00 25.41 ? 25 ARG A O 1 ATOM 158 C CB . ARG A 1 25 ? -36.084 -32.233 21.969 1.00 29.17 ? 25 ARG A CB 1 ATOM 159 C CG . ARG A 1 25 ? -34.997 -31.820 21.033 1.00 33.09 ? 25 ARG A CG 1 ATOM 160 C CD . ARG A 1 25 ? -33.651 -31.722 21.798 1.00 34.94 ? 25 ARG A CD 1 ATOM 161 N NE . ARG A 1 25 ? -33.723 -30.671 22.818 1.00 31.96 ? 25 ARG A NE 1 ATOM 162 C CZ . ARG A 1 25 ? -33.229 -30.735 24.053 1.00 33.43 ? 25 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 25 ? -32.605 -31.836 24.507 1.00 34.79 ? 25 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 25 ? -33.401 -29.688 24.861 1.00 32.20 ? 25 ARG A NH2 1 ATOM 165 N N . THR A 1 26 ? -38.475 -30.133 21.656 1.00 25.38 ? 26 THR A N 1 ATOM 166 C CA . THR A 1 26 ? -38.897 -28.807 21.257 1.00 24.48 ? 26 THR A CA 1 ATOM 167 C C . THR A 1 26 ? -38.304 -27.795 22.247 1.00 24.63 ? 26 THR A C 1 ATOM 168 O O . THR A 1 26 ? -38.439 -27.969 23.446 1.00 23.46 ? 26 THR A O 1 ATOM 169 C CB . THR A 1 26 ? -40.462 -28.730 21.119 1.00 24.07 ? 26 THR A CB 1 ATOM 170 O OG1 . THR A 1 26 ? -40.919 -29.605 20.057 1.00 26.83 ? 26 THR A OG1 1 ATOM 171 C CG2 . THR A 1 26 ? -40.920 -27.370 20.799 1.00 22.69 ? 26 THR A CG2 1 ATOM 172 N N . ASP A 1 27 ? -37.633 -26.756 21.714 1.00 24.23 ? 27 ASP A N 1 ATOM 173 C CA . ASP A 1 27 ? -37.003 -25.694 22.506 1.00 24.66 ? 27 ASP A CA 1 ATOM 174 C C . ASP A 1 27 ? -37.443 -24.347 21.968 1.00 23.92 ? 27 ASP A C 1 ATOM 175 O O . ASP A 1 27 ? -37.528 -24.170 20.753 1.00 24.03 ? 27 ASP A O 1 ATOM 176 C CB . ASP A 1 27 ? -35.475 -25.812 22.450 1.00 25.03 ? 27 ASP A CB 1 ATOM 177 C CG . ASP A 1 27 ? -34.979 -27.151 23.027 1.00 30.60 ? 27 ASP A CG 1 ATOM 178 O OD1 . ASP A 1 27 ? -34.589 -28.044 22.237 1.00 33.84 ? 27 ASP A OD1 1 ATOM 179 O OD2 . ASP A 1 27 ? -35.032 -27.337 24.269 1.00 31.48 ? 27 ASP A OD2 1 ATOM 180 N N . SER A 1 28 ? -37.713 -23.402 22.865 1.00 22.83 ? 28 SER A N 1 ATOM 181 C CA . SER A 1 28 ? -38.083 -22.050 22.460 1.00 23.00 ? 28 SER A CA 1 ATOM 182 C C . SER A 1 28 ? -37.394 -20.975 23.222 1.00 22.48 ? 28 SER A C 1 ATOM 183 O O . SER A 1 28 ? -37.072 -21.142 24.398 1.00 23.50 ? 28 SER A O 1 ATOM 184 C CB . SER A 1 28 ? -39.599 -21.816 22.650 1.00 22.44 ? 28 SER A CB 1 ATOM 185 O OG . SER A 1 28 ? -40.290 -22.854 22.005 1.00 24.86 ? 28 SER A OG 1 ATOM 186 N N . VAL A 1 29 ? -37.271 -19.839 22.565 1.00 22.60 ? 29 VAL A N 1 ATOM 187 C CA . VAL A 1 29 ? -36.760 -18.613 23.161 1.00 23.89 ? 29 VAL A CA 1 ATOM 188 C C . VAL A 1 29 ? -37.646 -17.479 22.697 1.00 23.88 ? 29 VAL A C 1 ATOM 189 O O . VAL A 1 29 ? -38.225 -17.518 21.600 1.00 24.43 ? 29 VAL A O 1 ATOM 190 C CB . VAL A 1 29 ? -35.305 -18.314 22.710 1.00 25.16 ? 29 VAL A CB 1 ATOM 191 C CG1 . VAL A 1 29 ? -34.315 -19.440 23.228 1.00 26.27 ? 29 VAL A CG1 1 ATOM 192 C CG2 . VAL A 1 29 ? -35.239 -18.233 21.206 1.00 24.32 ? 29 VAL A CG2 1 ATOM 193 N N . VAL A 1 30 ? -37.717 -16.434 23.500 1.00 23.74 ? 30 VAL A N 1 ATOM 194 C CA . VAL A 1 30 ? -38.504 -15.296 23.135 1.00 21.66 ? 30 VAL A CA 1 ATOM 195 C C . VAL A 1 30 ? -37.637 -14.085 23.208 1.00 22.82 ? 30 VAL A C 1 ATOM 196 O O . VAL A 1 30 ? -36.854 -13.938 24.157 1.00 22.80 ? 30 VAL A O 1 ATOM 197 C CB . VAL A 1 30 ? -39.693 -15.178 24.081 1.00 22.40 ? 30 VAL A CB 1 ATOM 198 C CG1 . VAL A 1 30 ? -40.561 -13.984 23.705 1.00 20.32 ? 30 VAL A CG1 1 ATOM 199 C CG2 . VAL A 1 30 ? -40.499 -16.477 24.017 1.00 18.85 ? 30 VAL A CG2 1 ATOM 200 N N . TRP A 1 31 ? -37.754 -13.241 22.172 1.00 23.11 ? 31 TRP A N 1 ATOM 201 C CA . TRP A 1 31 ? -37.031 -11.972 22.057 1.00 23.52 ? 31 TRP A CA 1 ATOM 202 C C . TRP A 1 31 ? -37.964 -10.766 21.953 1.00 23.99 ? 31 TRP A C 1 ATOM 203 O O . TRP A 1 31 ? -39.021 -10.795 21.290 1.00 24.30 ? 31 TRP A O 1 ATOM 204 C CB . TRP A 1 31 ? -36.120 -11.975 20.812 1.00 23.72 ? 31 TRP A CB 1 ATOM 205 C CG . TRP A 1 31 ? -35.088 -13.072 20.829 1.00 25.25 ? 31 TRP A CG 1 ATOM 206 C CD1 . TRP A 1 31 ? -35.234 -14.365 20.346 1.00 25.53 ? 31 TRP A CD1 1 ATOM 207 C CD2 . TRP A 1 31 ? -33.766 -13.000 21.377 1.00 24.70 ? 31 TRP A CD2 1 ATOM 208 N NE1 . TRP A 1 31 ? -34.086 -15.075 20.553 1.00 25.89 ? 31 TRP A NE1 1 ATOM 209 C CE2 . TRP A 1 31 ? -33.168 -14.281 21.195 1.00 25.47 ? 31 TRP A CE2 1 ATOM 210 C CE3 . TRP A 1 31 ? -33.037 -11.995 22.033 1.00 23.71 ? 31 TRP A CE3 1 ATOM 211 C CZ2 . TRP A 1 31 ? -31.851 -14.581 21.633 1.00 25.95 ? 31 TRP A CZ2 1 ATOM 212 C CZ3 . TRP A 1 31 ? -31.695 -12.287 22.462 1.00 26.89 ? 31 TRP A CZ3 1 ATOM 213 C CH2 . TRP A 1 31 ? -31.125 -13.568 22.251 1.00 25.48 ? 31 TRP A CH2 1 ATOM 214 N N . LEU A 1 32 ? -37.556 -9.692 22.599 1.00 24.72 ? 32 LEU A N 1 ATOM 215 C CA . LEU A 1 32 ? -38.163 -8.401 22.405 1.00 25.22 ? 32 LEU A CA 1 ATOM 216 C C . LEU A 1 32 ? -37.026 -7.497 21.908 1.00 26.14 ? 32 LEU A C 1 ATOM 217 O O . LEU A 1 32 ? -36.118 -7.169 22.669 1.00 26.12 ? 32 LEU A O 1 ATOM 218 C CB . LEU A 1 32 ? -38.787 -7.866 23.698 1.00 25.32 ? 32 LEU A CB 1 ATOM 219 C CG . LEU A 1 32 ? -39.404 -6.441 23.527 1.00 26.65 ? 32 LEU A CG 1 ATOM 220 C CD1 . LEU A 1 32 ? -40.519 -6.373 22.452 1.00 24.66 ? 32 LEU A CD1 1 ATOM 221 C CD2 . LEU A 1 32 ? -39.930 -5.884 24.830 1.00 25.27 ? 32 LEU A CD2 1 ATOM 222 N N . GLY A 1 33 ? -37.087 -7.109 20.632 1.00 26.90 ? 33 GLY A N 1 ATOM 223 C CA . GLY A 1 33 ? -35.936 -6.514 19.936 1.00 28.29 ? 33 GLY A CA 1 ATOM 224 C C . GLY A 1 33 ? -34.772 -7.507 20.017 1.00 27.86 ? 33 GLY A C 1 ATOM 225 O O . GLY A 1 33 ? -34.906 -8.688 19.662 1.00 27.28 ? 33 GLY A O 1 ATOM 226 N N . ASP A 1 34 ? -33.650 -7.036 20.530 1.00 28.88 ? 34 ASP A N 1 ATOM 227 C CA . ASP A 1 34 ? -32.479 -7.852 20.801 1.00 29.59 ? 34 ASP A CA 1 ATOM 228 C C . ASP A 1 34 ? -32.307 -8.258 22.292 1.00 29.35 ? 34 ASP A C 1 ATOM 229 O O . ASP A 1 34 ? -31.200 -8.650 22.723 1.00 30.78 ? 34 ASP A O 1 ATOM 230 C CB . ASP A 1 34 ? -31.217 -7.134 20.287 1.00 31.03 ? 34 ASP A CB 1 ATOM 231 C CG . ASP A 1 34 ? -30.942 -5.847 21.012 1.00 35.09 ? 34 ASP A CG 1 ATOM 232 O OD1 . ASP A 1 34 ? -31.700 -5.520 21.960 1.00 35.17 ? 34 ASP A OD1 1 ATOM 233 O OD2 . ASP A 1 34 ? -29.968 -5.135 20.639 1.00 39.44 ? 34 ASP A OD2 1 ATOM 234 N N . LEU A 1 35 ? -33.375 -8.179 23.082 1.00 27.67 ? 35 LEU A N 1 ATOM 235 C CA . LEU A 1 35 ? -33.337 -8.724 24.455 1.00 27.03 ? 35 LEU A CA 1 ATOM 236 C C . LEU A 1 35 ? -34.177 -9.979 24.649 1.00 25.30 ? 35 LEU A C 1 ATOM 237 O O . LEU A 1 35 ? -35.364 -10.028 24.263 1.00 23.75 ? 35 LEU A O 1 ATOM 238 C CB . LEU A 1 35 ? -33.758 -7.664 25.465 1.00 27.88 ? 35 LEU A CB 1 ATOM 239 C CG . LEU A 1 35 ? -33.006 -6.345 25.369 1.00 31.18 ? 35 LEU A CG 1 ATOM 240 C CD1 . LEU A 1 35 ? -33.599 -5.374 26.347 1.00 33.14 ? 35 LEU A CD1 1 ATOM 241 C CD2 . LEU A 1 35 ? -31.486 -6.499 25.618 1.00 31.32 ? 35 LEU A CD2 1 ATOM 242 N N . GLN A 1 36 ? -33.566 -10.990 25.263 1.00 24.41 ? 36 GLN A N 1 ATOM 243 C CA . GLN A 1 36 ? -34.251 -12.225 25.527 1.00 23.17 ? 36 GLN A CA 1 ATOM 244 C C . GLN A 1 36 ? -35.162 -12.042 26.721 1.00 23.89 ? 36 GLN A C 1 ATOM 245 O O . GLN A 1 36 ? -34.721 -11.612 27.778 1.00 25.57 ? 36 GLN A O 1 ATOM 246 C CB . GLN A 1 36 ? -33.256 -13.389 25.789 1.00 23.73 ? 36 GLN A CB 1 ATOM 247 C CG . GLN A 1 36 ? -33.939 -14.805 25.812 1.00 20.84 ? 36 GLN A CG 1 ATOM 248 C CD . GLN A 1 36 ? -32.947 -16.009 25.980 1.00 25.43 ? 36 GLN A CD 1 ATOM 249 O OE1 . GLN A 1 36 ? -31.708 -15.863 26.058 1.00 23.61 ? 36 GLN A OE1 1 ATOM 250 N NE2 . GLN A 1 36 ? -33.522 -17.197 26.053 1.00 25.11 ? 36 GLN A NE2 1 ATOM 251 N N . THR A 1 37 ? -36.420 -12.414 26.571 1.00 23.38 ? 37 THR A N 1 ATOM 252 C CA . THR A 1 37 ? -37.358 -12.316 27.677 1.00 24.62 ? 37 THR A CA 1 ATOM 253 C C . THR A 1 37 ? -37.815 -13.656 28.245 1.00 24.38 ? 37 THR A C 1 ATOM 254 O O . THR A 1 37 ? -38.271 -13.724 29.386 1.00 25.47 ? 37 THR A O 1 ATOM 255 C CB . THR A 1 37 ? -38.608 -11.466 27.285 1.00 25.12 ? 37 THR A CB 1 ATOM 256 O OG1 . THR A 1 37 ? -39.200 -12.026 26.119 1.00 24.02 ? 37 THR A OG1 1 ATOM 257 C CG2 . THR A 1 37 ? -38.210 -10.026 26.989 1.00 24.35 ? 37 THR A CG2 1 ATOM 258 N N . HIS A 1 38 ? -37.733 -14.724 27.455 1.00 23.91 ? 38 HIS A N 1 ATOM 259 C CA . HIS A 1 38 ? -38.218 -16.030 27.920 1.00 23.40 ? 38 HIS A CA 1 ATOM 260 C C . HIS A 1 38 ? -37.356 -17.157 27.334 1.00 23.76 ? 38 HIS A C 1 ATOM 261 O O . HIS A 1 38 ? -36.663 -16.987 26.331 1.00 23.12 ? 38 HIS A O 1 ATOM 262 C CB . HIS A 1 38 ? -39.676 -16.295 27.531 1.00 22.55 ? 38 HIS A CB 1 ATOM 263 C CG . HIS A 1 38 ? -40.643 -15.254 27.994 1.00 23.94 ? 38 HIS A CG 1 ATOM 264 N ND1 . HIS A 1 38 ? -40.732 -14.001 27.412 1.00 24.68 ? 38 HIS A ND1 1 ATOM 265 C CD2 . HIS A 1 38 ? -41.621 -15.307 28.925 1.00 22.35 ? 38 HIS A CD2 1 ATOM 266 C CE1 . HIS A 1 38 ? -41.695 -13.315 27.998 1.00 24.02 ? 38 HIS A CE1 1 ATOM 267 N NE2 . HIS A 1 38 ? -42.235 -14.080 28.930 1.00 25.85 ? 38 HIS A NE2 1 ATOM 268 N N . ARG A 1 39 ? -37.450 -18.319 27.950 1.00 23.15 ? 39 ARG A N 1 ATOM 269 C CA . ARG A 1 39 ? -36.690 -19.456 27.552 1.00 25.28 ? 39 ARG A CA 1 ATOM 270 C C . ARG A 1 39 ? -37.590 -20.635 27.880 1.00 24.80 ? 39 ARG A C 1 ATOM 271 O O . ARG A 1 39 ? -38.185 -20.663 28.959 1.00 25.90 ? 39 ARG A O 1 ATOM 272 C CB . ARG A 1 39 ? -35.440 -19.510 28.442 1.00 27.38 ? 39 ARG A CB 1 ATOM 273 C CG . ARG A 1 39 ? -34.717 -20.826 28.437 1.00 35.41 ? 39 ARG A CG 1 ATOM 274 C CD . ARG A 1 39 ? -33.736 -20.900 29.653 1.00 40.22 ? 39 ARG A CD 1 ATOM 275 N NE . ARG A 1 39 ? -32.749 -19.829 29.601 1.00 46.42 ? 39 ARG A NE 1 ATOM 276 C CZ . ARG A 1 39 ? -32.371 -19.106 30.655 1.00 51.46 ? 39 ARG A CZ 1 ATOM 277 N NH1 . ARG A 1 39 ? -32.929 -19.317 31.849 1.00 53.34 ? 39 ARG A NH1 1 ATOM 278 N NH2 . ARG A 1 39 ? -31.452 -18.160 30.515 1.00 52.24 ? 39 ARG A NH2 1 ATOM 279 N N . TRP A 1 40 ? -37.686 -21.610 26.986 1.00 23.13 ? 40 TRP A N 1 ATOM 280 C CA . TRP A 1 40 ? -38.442 -22.791 27.309 1.00 23.45 ? 40 TRP A CA 1 ATOM 281 C C . TRP A 1 40 ? -37.783 -24.006 26.708 1.00 23.78 ? 40 TRP A C 1 ATOM 282 O O . TRP A 1 40 ? -38.049 -24.402 25.580 1.00 23.59 ? 40 TRP A O 1 ATOM 283 C CB . TRP A 1 40 ? -39.883 -22.672 26.838 1.00 20.95 ? 40 TRP A CB 1 ATOM 284 C CG . TRP A 1 40 ? -40.789 -23.721 27.342 1.00 22.63 ? 40 TRP A CG 1 ATOM 285 C CD1 . TRP A 1 40 ? -40.593 -24.558 28.430 1.00 25.60 ? 40 TRP A CD1 1 ATOM 286 C CD2 . TRP A 1 40 ? -42.086 -24.034 26.827 1.00 20.96 ? 40 TRP A CD2 1 ATOM 287 N NE1 . TRP A 1 40 ? -41.698 -25.347 28.610 1.00 26.21 ? 40 TRP A NE1 1 ATOM 288 C CE2 . TRP A 1 40 ? -42.628 -25.036 27.643 1.00 23.73 ? 40 TRP A CE2 1 ATOM 289 C CE3 . TRP A 1 40 ? -42.861 -23.515 25.778 1.00 21.83 ? 40 TRP A CE3 1 ATOM 290 C CZ2 . TRP A 1 40 ? -43.899 -25.578 27.420 1.00 25.75 ? 40 TRP A CZ2 1 ATOM 291 C CZ3 . TRP A 1 40 ? -44.151 -24.044 25.565 1.00 23.05 ? 40 TRP A CZ3 1 ATOM 292 C CH2 . TRP A 1 40 ? -44.638 -25.069 26.371 1.00 24.42 ? 40 TRP A CH2 1 ATOM 293 N N . SER A 1 41 ? -36.931 -24.591 27.507 1.00 25.58 ? 41 SER A N 1 ATOM 294 C CA . SER A 1 41 ? -36.224 -25.783 27.171 1.00 28.03 ? 41 SER A CA 1 ATOM 295 C C . SER A 1 41 ? -37.146 -27.044 27.136 1.00 28.11 ? 41 SER A C 1 ATOM 296 O O . SER A 1 41 ? -38.033 -27.187 27.963 1.00 28.38 ? 41 SER A O 1 ATOM 297 C CB . SER A 1 41 ? -35.150 -25.977 28.240 1.00 29.43 ? 41 SER A CB 1 ATOM 298 O OG . SER A 1 41 ? -34.663 -27.291 28.116 1.00 33.33 ? 41 SER A OG 1 ATOM 299 N N . ASN A 1 42 ? -36.905 -27.961 26.203 1.00 28.66 ? 42 ASN A N 1 ATOM 300 C CA . ASN A 1 42 ? -37.584 -29.264 26.221 1.00 29.86 ? 42 ASN A CA 1 ATOM 301 C C . ASN A 1 42 ? -37.668 -29.949 27.600 1.00 32.44 ? 42 ASN A C 1 ATOM 302 O O . ASN A 1 42 ? -38.666 -30.598 27.913 1.00 33.20 ? 42 ASN A O 1 ATOM 303 C CB . ASN A 1 42 ? -36.997 -30.263 25.212 1.00 29.61 ? 42 ASN A CB 1 ATOM 304 C CG . ASN A 1 42 ? -37.965 -31.404 24.954 1.00 30.88 ? 42 ASN A CG 1 ATOM 305 O OD1 . ASN A 1 42 ? -38.936 -31.225 24.226 1.00 27.08 ? 42 ASN A OD1 1 ATOM 306 N ND2 . ASN A 1 42 ? -37.742 -32.551 25.590 1.00 31.69 ? 42 ASN A ND2 1 ATOM 307 N N . ASP A 1 43 ? -36.604 -29.802 28.379 1.00 35.13 ? 43 ASP A N 1 ATOM 308 C CA . ASP A 1 43 ? -36.432 -30.402 29.694 1.00 39.28 ? 43 ASP A CA 1 ATOM 309 C C . ASP A 1 43 ? -37.357 -29.857 30.768 1.00 38.70 ? 43 ASP A C 1 ATOM 310 O O . ASP A 1 43 ? -37.572 -30.505 31.776 1.00 41.42 ? 43 ASP A O 1 ATOM 311 C CB . ASP A 1 43 ? -34.979 -30.196 30.149 1.00 41.71 ? 43 ASP A CB 1 ATOM 312 C CG . ASP A 1 43 ? -33.963 -30.725 29.114 1.00 47.93 ? 43 ASP A CG 1 ATOM 313 O OD1 . ASP A 1 43 ? -34.052 -31.923 28.734 1.00 51.78 ? 43 ASP A OD1 1 ATOM 314 O OD2 . ASP A 1 43 ? -33.082 -29.944 28.672 1.00 53.95 ? 43 ASP A OD2 1 ATOM 315 N N . SER A 1 44 ? -37.915 -28.688 30.535 1.00 36.27 ? 44 SER A N 1 ATOM 316 C CA . SER A 1 44 ? -38.637 -27.955 31.554 1.00 36.15 ? 44 SER A CA 1 ATOM 317 C C . SER A 1 44 ? -40.151 -27.982 31.343 1.00 35.11 ? 44 SER A C 1 ATOM 318 O O . SER A 1 44 ? -40.651 -27.769 30.215 1.00 33.26 ? 44 SER A O 1 ATOM 319 C CB . SER A 1 44 ? -38.143 -26.505 31.550 1.00 35.03 ? 44 SER A CB 1 ATOM 320 O OG . SER A 1 44 ? -38.909 -25.751 32.440 1.00 36.20 ? 44 SER A OG 1 ATOM 321 N N . ALA A 1 45 ? -40.897 -28.226 32.420 1.00 35.47 ? 45 ALA A N 1 ATOM 322 C CA . ALA A 1 45 ? -42.361 -28.251 32.293 1.00 34.58 ? 45 ALA A CA 1 ATOM 323 C C . ALA A 1 45 ? -42.916 -26.853 32.052 1.00 32.93 ? 45 ALA A C 1 ATOM 324 O O . ALA A 1 45 ? -43.992 -26.707 31.480 1.00 31.97 ? 45 ALA A O 1 ATOM 325 C CB . ALA A 1 45 ? -43.032 -28.899 33.526 1.00 36.35 ? 45 ALA A CB 1 ATOM 326 N N . THR A 1 46 ? -42.172 -25.838 32.488 1.00 32.50 ? 46 THR A N 1 ATOM 327 C CA . THR A 1 46 ? -42.670 -24.465 32.519 1.00 32.22 ? 46 THR A CA 1 ATOM 328 C C . THR A 1 46 ? -41.756 -23.515 31.736 1.00 30.32 ? 46 THR A C 1 ATOM 329 O O . THR A 1 46 ? -40.556 -23.749 31.647 1.00 29.30 ? 46 THR A O 1 ATOM 330 C CB . THR A 1 46 ? -42.785 -23.907 33.964 1.00 33.54 ? 46 THR A CB 1 ATOM 331 O OG1 . THR A 1 46 ? -41.533 -24.053 34.638 1.00 37.74 ? 46 THR A OG1 1 ATOM 332 C CG2 . THR A 1 46 ? -43.842 -24.634 34.771 1.00 36.24 ? 46 THR A CG2 1 ATOM 333 N N . ILE A 1 47 ? -42.339 -22.433 31.219 1.00 28.60 ? 47 ILE A N 1 ATOM 334 C CA . ILE A 1 47 ? -41.601 -21.380 30.535 1.00 28.64 ? 47 ILE A CA 1 ATOM 335 C C . ILE A 1 47 ? -40.812 -20.592 31.577 1.00 29.65 ? 47 ILE A C 1 ATOM 336 O O . ILE A 1 47 ? -41.351 -20.302 32.638 1.00 31.44 ? 47 ILE A O 1 ATOM 337 C CB . ILE A 1 47 ? -42.596 -20.476 29.760 1.00 27.65 ? 47 ILE A CB 1 ATOM 338 C CG1 . ILE A 1 47 ? -43.386 -21.321 28.749 1.00 25.05 ? 47 ILE A CG1 1 ATOM 339 C CG2 . ILE A 1 47 ? -41.876 -19.368 29.002 1.00 27.87 ? 47 ILE A CG2 1 ATOM 340 C CD1 . ILE A 1 47 ? -44.699 -20.710 28.349 1.00 24.02 ? 47 ILE A CD1 1 ATOM 341 N N . SER A 1 48 ? -39.541 -20.278 31.335 1.00 28.52 ? 48 SER A N 1 ATOM 342 C CA . SER A 1 48 ? -38.824 -19.422 32.303 1.00 28.96 ? 48 SER A CA 1 ATOM 343 C C . SER A 1 48 ? -38.732 -17.975 31.839 1.00 27.77 ? 48 SER A C 1 ATOM 344 O O . SER A 1 48 ? -38.498 -17.712 30.652 1.00 26.32 ? 48 SER A O 1 ATOM 345 C CB . SER A 1 48 ? -37.395 -19.856 32.519 1.00 28.64 ? 48 SER A CB 1 ATOM 346 O OG . SER A 1 48 ? -37.345 -21.208 32.763 1.00 34.10 ? 48 SER A OG 1 ATOM 347 N N . PHE A 1 49 ? -38.831 -17.061 32.798 1.00 28.32 ? 49 PHE A N 1 ATOM 348 C CA . PHE A 1 49 ? -38.578 -15.638 32.583 1.00 28.30 ? 49 PHE A CA 1 ATOM 349 C C . PHE A 1 49 ? -37.092 -15.392 32.586 1.00 28.79 ? 49 PHE A C 1 ATOM 350 O O . PHE A 1 49 ? -36.410 -15.811 33.507 1.00 30.04 ? 49 PHE A O 1 ATOM 351 C CB . PHE A 1 49 ? -39.150 -14.819 33.735 1.00 28.62 ? 49 PHE A CB 1 ATOM 352 C CG . PHE A 1 49 ? -40.634 -14.856 33.823 1.00 30.87 ? 49 PHE A CG 1 ATOM 353 C CD1 . PHE A 1 49 ? -41.415 -15.117 32.682 1.00 30.27 ? 49 PHE A CD1 1 ATOM 354 C CD2 . PHE A 1 49 ? -41.274 -14.629 35.052 1.00 30.95 ? 49 PHE A CD2 1 ATOM 355 C CE1 . PHE A 1 49 ? -42.820 -15.158 32.771 1.00 31.90 ? 49 PHE A CE1 1 ATOM 356 C CE2 . PHE A 1 49 ? -42.669 -14.669 35.159 1.00 31.56 ? 49 PHE A CE2 1 ATOM 357 C CZ . PHE A 1 49 ? -43.449 -14.919 34.015 1.00 31.87 ? 49 PHE A CZ 1 ATOM 358 N N . THR A 1 50 ? -36.584 -14.679 31.596 1.00 27.61 ? 50 THR A N 1 ATOM 359 C CA . THR A 1 50 ? -35.173 -14.326 31.620 1.00 28.69 ? 50 THR A CA 1 ATOM 360 C C . THR A 1 50 ? -35.021 -12.843 32.023 1.00 29.45 ? 50 THR A C 1 ATOM 361 O O . THR A 1 50 ? -33.910 -12.339 32.143 1.00 29.95 ? 50 THR A O 1 ATOM 362 C CB . THR A 1 50 ? -34.468 -14.666 30.260 1.00 28.02 ? 50 THR A CB 1 ATOM 363 O OG1 . THR A 1 50 ? -35.168 -14.021 29.207 1.00 28.52 ? 50 THR A OG1 1 ATOM 364 C CG2 . THR A 1 50 ? -34.545 -16.180 29.955 1.00 26.18 ? 50 THR A CG2 1 ATOM 365 N N . LYS A 1 51 ? -36.137 -12.149 32.271 1.00 28.94 ? 51 LYS A N 1 ATOM 366 C CA . LYS A 1 51 ? -36.055 -10.777 32.827 1.00 29.43 ? 51 LYS A CA 1 ATOM 367 C C . LYS A 1 51 ? -36.957 -10.650 34.044 1.00 29.41 ? 51 LYS A C 1 ATOM 368 O O . LYS A 1 51 ? -37.898 -11.417 34.180 1.00 28.29 ? 51 LYS A O 1 ATOM 369 C CB . LYS A 1 51 ? -36.433 -9.718 31.765 1.00 29.17 ? 51 LYS A CB 1 ATOM 370 C CG . LYS A 1 51 ? -35.425 -9.582 30.572 1.00 29.68 ? 51 LYS A CG 1 ATOM 371 C CD . LYS A 1 51 ? -34.127 -8.842 30.960 1.00 30.63 ? 51 LYS A CD 1 ATOM 372 C CE . LYS A 1 51 ? -33.171 -8.672 29.752 1.00 31.69 ? 51 LYS A CE 1 ATOM 373 N NZ . LYS A 1 51 ? -32.796 -10.041 29.099 1.00 31.92 ? 51 LYS A NZ 1 ATOM 374 N N . PRO A 1 52 ? -36.688 -9.670 34.927 1.00 30.53 ? 52 PRO A N 1 ATOM 375 C CA . PRO A 1 52 ? -37.669 -9.502 36.008 1.00 31.36 ? 52 PRO A CA 1 ATOM 376 C C . PRO A 1 52 ? -39.053 -9.091 35.493 1.00 31.19 ? 52 PRO A C 1 ATOM 377 O O . PRO A 1 52 ? -40.067 -9.341 36.177 1.00 31.90 ? 52 PRO A O 1 ATOM 378 C CB . PRO A 1 52 ? -37.073 -8.385 36.912 1.00 33.08 ? 52 PRO A CB 1 ATOM 379 C CG . PRO A 1 52 ? -35.622 -8.233 36.509 1.00 33.56 ? 52 PRO A CG 1 ATOM 380 C CD . PRO A 1 52 ? -35.515 -8.780 35.064 1.00 31.17 ? 52 PRO A CD 1 ATOM 381 N N . TRP A 1 53 ? -39.099 -8.498 34.302 1.00 29.30 ? 53 TRP A N 1 ATOM 382 C CA . TRP A 1 53 ? -40.334 -7.919 33.775 1.00 29.10 ? 53 TRP A CA 1 ATOM 383 C C . TRP A 1 53 ? -40.996 -8.774 32.676 1.00 28.35 ? 53 TRP A C 1 ATOM 384 O O . TRP A 1 53 ? -41.908 -8.326 32.004 1.00 28.06 ? 53 TRP A O 1 ATOM 385 C CB . TRP A 1 53 ? -40.067 -6.463 33.285 1.00 30.30 ? 53 TRP A CB 1 ATOM 386 C CG . TRP A 1 53 ? -38.775 -6.296 32.523 1.00 26.23 ? 53 TRP A CG 1 ATOM 387 C CD1 . TRP A 1 53 ? -37.546 -5.926 33.041 1.00 25.48 ? 53 TRP A CD1 1 ATOM 388 C CD2 . TRP A 1 53 ? -38.574 -6.511 31.124 1.00 23.51 ? 53 TRP A CD2 1 ATOM 389 N NE1 . TRP A 1 53 ? -36.593 -5.894 32.021 1.00 25.39 ? 53 TRP A NE1 1 ATOM 390 C CE2 . TRP A 1 53 ? -37.204 -6.243 30.842 1.00 24.43 ? 53 TRP A CE2 1 ATOM 391 C CE3 . TRP A 1 53 ? -39.422 -6.883 30.066 1.00 25.67 ? 53 TRP A CE3 1 ATOM 392 C CZ2 . TRP A 1 53 ? -36.677 -6.319 29.551 1.00 24.77 ? 53 TRP A CZ2 1 ATOM 393 C CZ3 . TRP A 1 53 ? -38.886 -6.981 28.761 1.00 23.34 ? 53 TRP A CZ3 1 ATOM 394 C CH2 . TRP A 1 53 ? -37.521 -6.696 28.523 1.00 25.08 ? 53 TRP A CH2 1 ATOM 395 N N . SER A 1 54 ? -40.574 -10.027 32.543 1.00 27.99 ? 54 SER A N 1 ATOM 396 C CA . SER A 1 54 ? -41.046 -10.907 31.486 1.00 27.95 ? 54 SER A CA 1 ATOM 397 C C . SER A 1 54 ? -42.522 -11.277 31.546 1.00 28.17 ? 54 SER A C 1 ATOM 398 O O . SER A 1 54 ? -43.055 -11.790 30.584 1.00 27.60 ? 54 SER A O 1 ATOM 399 C CB . SER A 1 54 ? -40.205 -12.197 31.428 1.00 27.24 ? 54 SER A CB 1 ATOM 400 O OG . SER A 1 54 ? -38.834 -11.894 31.261 1.00 27.95 ? 54 SER A OG 1 ATOM 401 N N . GLN A 1 55 ? -43.175 -11.050 32.676 1.00 29.81 ? 55 GLN A N 1 ATOM 402 C CA . GLN A 1 55 ? -44.605 -11.320 32.753 1.00 30.30 ? 55 GLN A CA 1 ATOM 403 C C . GLN A 1 55 ? -45.382 -10.134 32.183 1.00 30.72 ? 55 GLN A C 1 ATOM 404 O O . GLN A 1 55 ? -46.597 -10.210 32.003 1.00 31.91 ? 55 GLN A O 1 ATOM 405 C CB . GLN A 1 55 ? -45.033 -11.526 34.218 1.00 31.37 ? 55 GLN A CB 1 ATOM 406 C CG . GLN A 1 55 ? -46.351 -12.305 34.361 1.00 31.75 ? 55 GLN A CG 1 ATOM 407 C CD . GLN A 1 55 ? -46.684 -12.602 35.807 1.00 34.93 ? 55 GLN A CD 1 ATOM 408 O OE1 . GLN A 1 55 ? -45.938 -13.296 36.487 1.00 36.24 ? 55 GLN A OE1 1 ATOM 409 N NE2 . GLN A 1 55 ? -47.790 -12.051 36.291 1.00 33.61 ? 55 GLN A NE2 1 ATOM 410 N N . GLY A 1 56 ? -44.689 -9.019 31.968 1.00 30.36 ? 56 GLY A N 1 ATOM 411 C CA . GLY A 1 56 ? -45.334 -7.837 31.417 1.00 31.42 ? 56 GLY A CA 1 ATOM 412 C C . GLY A 1 56 ? -46.387 -7.310 32.357 1.00 33.12 ? 56 GLY A C 1 ATOM 413 O O . GLY A 1 56 ? -46.128 -7.158 33.544 1.00 33.11 ? 56 GLY A O 1 ATOM 414 N N . LYS A 1 57 ? -47.579 -7.029 31.833 1.00 34.67 ? 57 LYS A N 1 ATOM 415 C CA . LYS A 1 57 ? -48.657 -6.516 32.697 1.00 37.89 ? 57 LYS A CA 1 ATOM 416 C C . LYS A 1 57 ? -49.748 -7.551 32.994 1.00 37.66 ? 57 LYS A C 1 ATOM 417 O O . LYS A 1 57 ? -50.743 -7.234 33.619 1.00 38.87 ? 57 LYS A O 1 ATOM 418 C CB . LYS A 1 57 ? -49.238 -5.182 32.187 1.00 39.45 ? 57 LYS A CB 1 ATOM 419 C CG . LYS A 1 57 ? -48.252 -4.019 32.156 1.00 42.86 ? 57 LYS A CG 1 ATOM 420 C CD . LYS A 1 57 ? -47.990 -3.408 33.542 1.00 48.82 ? 57 LYS A CD 1 ATOM 421 C CE . LYS A 1 57 ? -46.999 -2.222 33.471 1.00 50.18 ? 57 LYS A CE 1 ATOM 422 N NZ . LYS A 1 57 ? -47.029 -1.403 34.723 1.00 56.78 ? 57 LYS A NZ 1 ATOM 423 N N . LEU A 1 58 ? -49.515 -8.803 32.594 1.00 36.38 ? 58 LEU A N 1 ATOM 424 C CA . LEU A 1 58 ? -50.420 -9.904 32.958 1.00 36.46 ? 58 LEU A CA 1 ATOM 425 C C . LEU A 1 58 ? -50.468 -10.177 34.451 1.00 38.02 ? 58 LEU A C 1 ATOM 426 O O . LEU A 1 58 ? -49.441 -10.134 35.127 1.00 38.43 ? 58 LEU A O 1 ATOM 427 C CB . LEU A 1 58 ? -50.023 -11.178 32.222 1.00 34.16 ? 58 LEU A CB 1 ATOM 428 C CG . LEU A 1 58 ? -49.997 -11.165 30.690 1.00 32.93 ? 58 LEU A CG 1 ATOM 429 C CD1 . LEU A 1 58 ? -49.537 -12.565 30.140 1.00 30.00 ? 58 LEU A CD1 1 ATOM 430 C CD2 . LEU A 1 58 ? -51.311 -10.703 30.041 1.00 31.13 ? 58 LEU A CD2 1 ATOM 431 N N . SER A 1 59 ? -51.663 -10.428 34.982 1.00 39.63 ? 59 SER A N 1 ATOM 432 C CA . SER A 1 59 ? -51.779 -10.944 36.348 1.00 41.46 ? 59 SER A CA 1 ATOM 433 C C . SER A 1 59 ? -51.262 -12.376 36.447 1.00 40.39 ? 59 SER A C 1 ATOM 434 O O . SER A 1 59 ? -51.129 -13.085 35.441 1.00 37.72 ? 59 SER A O 1 ATOM 435 C CB . SER A 1 59 ? -53.234 -10.934 36.802 1.00 43.77 ? 59 SER A CB 1 ATOM 436 O OG . SER A 1 59 ? -53.996 -11.774 35.971 1.00 44.12 ? 59 SER A OG 1 ATOM 437 N N . ASN A 1 60 ? -50.976 -12.796 37.666 1.00 42.52 ? 60 ASN A N 1 ATOM 438 C CA . ASN A 1 60 ? -50.612 -14.170 37.935 1.00 43.19 ? 60 ASN A CA 1 ATOM 439 C C . ASN A 1 60 ? -51.606 -15.167 37.340 1.00 43.69 ? 60 ASN A C 1 ATOM 440 O O . ASN A 1 60 ? -51.207 -16.103 36.669 1.00 42.96 ? 60 ASN A O 1 ATOM 441 C CB . ASN A 1 60 ? -50.379 -14.382 39.432 1.00 44.75 ? 60 ASN A CB 1 ATOM 442 C CG . ASN A 1 60 ? -49.113 -13.684 39.920 1.00 45.47 ? 60 ASN A CG 1 ATOM 443 O OD1 . ASN A 1 60 ? -48.218 -13.375 39.124 1.00 43.19 ? 60 ASN A OD1 1 ATOM 444 N ND2 . ASN A 1 60 ? -49.045 -13.396 41.217 1.00 46.68 ? 60 ASN A ND2 1 ATOM 445 N N . GLN A 1 61 ? -52.894 -14.933 37.530 1.00 47.24 ? 61 GLN A N 1 ATOM 446 C CA . GLN A 1 61 ? -53.932 -15.812 36.998 1.00 48.27 ? 61 GLN A CA 1 ATOM 447 C C . GLN A 1 61 ? -53.819 -15.877 35.477 1.00 45.73 ? 61 GLN A C 1 ATOM 448 O O . GLN A 1 61 ? -53.832 -16.960 34.904 1.00 45.35 ? 61 GLN A O 1 ATOM 449 C CB . GLN A 1 61 ? -55.332 -15.345 37.465 1.00 51.91 ? 61 GLN A CB 1 ATOM 450 C CG . GLN A 1 61 ? -56.516 -16.320 37.192 1.00 56.14 ? 61 GLN A CG 1 ATOM 451 C CD . GLN A 1 61 ? -57.852 -15.923 37.894 1.00 65.41 ? 61 GLN A CD 1 ATOM 452 O OE1 . GLN A 1 61 ? -58.929 -16.016 37.288 1.00 68.60 ? 61 GLN A OE1 1 ATOM 453 N NE2 . GLN A 1 61 ? -57.779 -15.499 39.164 1.00 65.79 ? 61 GLN A NE2 1 ATOM 454 N N . GLN A 1 62 ? -53.665 -14.739 34.816 1.00 44.77 ? 62 GLN A N 1 ATOM 455 C CA . GLN A 1 62 ? -53.657 -14.732 33.355 1.00 42.47 ? 62 GLN A CA 1 ATOM 456 C C . GLN A 1 62 ? -52.448 -15.427 32.780 1.00 39.76 ? 62 GLN A C 1 ATOM 457 O O . GLN A 1 62 ? -52.532 -16.015 31.693 1.00 37.60 ? 62 GLN A O 1 ATOM 458 C CB . GLN A 1 62 ? -53.647 -13.319 32.804 1.00 43.00 ? 62 GLN A CB 1 ATOM 459 C CG . GLN A 1 62 ? -54.837 -12.473 33.166 1.00 48.74 ? 62 GLN A CG 1 ATOM 460 C CD . GLN A 1 62 ? -54.628 -11.050 32.703 1.00 52.79 ? 62 GLN A CD 1 ATOM 461 O OE1 . GLN A 1 62 ? -53.876 -10.280 33.306 1.00 52.22 ? 62 GLN A OE1 1 ATOM 462 N NE2 . GLN A 1 62 ? -55.237 -10.719 31.576 1.00 55.28 ? 62 GLN A NE2 1 ATOM 463 N N . TRP A 1 63 ? -51.319 -15.293 33.486 1.00 38.68 ? 63 TRP A N 1 ATOM 464 C CA . TRP A 1 63 ? -50.077 -15.903 33.072 1.00 36.52 ? 63 TRP A CA 1 ATOM 465 C C . TRP A 1 63 ? -50.117 -17.427 33.254 1.00 36.26 ? 63 TRP A C 1 ATOM 466 O O . TRP A 1 63 ? -49.723 -18.169 32.351 1.00 33.91 ? 63 TRP A O 1 ATOM 467 C CB . TRP A 1 63 ? -48.860 -15.316 33.807 1.00 35.71 ? 63 TRP A CB 1 ATOM 468 C CG . TRP A 1 63 ? -47.621 -16.066 33.431 1.00 34.44 ? 63 TRP A CG 1 ATOM 469 C CD1 . TRP A 1 63 ? -46.928 -16.932 34.216 1.00 34.93 ? 63 TRP A CD1 1 ATOM 470 C CD2 . TRP A 1 63 ? -46.967 -16.076 32.148 1.00 30.98 ? 63 TRP A CD2 1 ATOM 471 N NE1 . TRP A 1 63 ? -45.864 -17.465 33.517 1.00 33.91 ? 63 TRP A NE1 1 ATOM 472 C CE2 . TRP A 1 63 ? -45.873 -16.960 32.243 1.00 30.85 ? 63 TRP A CE2 1 ATOM 473 C CE3 . TRP A 1 63 ? -47.186 -15.403 30.942 1.00 33.27 ? 63 TRP A CE3 1 ATOM 474 C CZ2 . TRP A 1 63 ? -44.992 -17.196 31.173 1.00 30.95 ? 63 TRP A CZ2 1 ATOM 475 C CZ3 . TRP A 1 63 ? -46.310 -15.630 29.864 1.00 32.75 ? 63 TRP A CZ3 1 ATOM 476 C CH2 . TRP A 1 63 ? -45.228 -16.529 29.989 1.00 31.55 ? 63 TRP A CH2 1 ATOM 477 N N . GLU A 1 64 ? -50.577 -17.872 34.425 1.00 37.85 ? 64 GLU A N 1 ATOM 478 C CA . GLU A 1 64 ? -50.617 -19.299 34.725 1.00 39.01 ? 64 GLU A CA 1 ATOM 479 C C . GLU A 1 64 ? -51.505 -19.991 33.687 1.00 38.51 ? 64 GLU A C 1 ATOM 480 O O . GLU A 1 64 ? -51.172 -21.085 33.196 1.00 37.16 ? 64 GLU A O 1 ATOM 481 C CB . GLU A 1 64 ? -51.036 -19.607 36.190 1.00 39.76 ? 64 GLU A CB 1 ATOM 482 N N . LYS A 1 65 ? -52.588 -19.308 33.322 1.00 39.75 ? 65 LYS A N 1 ATOM 483 C CA . LYS A 1 65 ? -53.530 -19.798 32.326 1.00 40.32 ? 65 LYS A CA 1 ATOM 484 C C . LYS A 1 65 ? -52.881 -19.898 30.960 1.00 38.29 ? 65 LYS A C 1 ATOM 485 O O . LYS A 1 65 ? -53.014 -20.922 30.271 1.00 37.84 ? 65 LYS A O 1 ATOM 486 C CB . LYS A 1 65 ? -54.749 -18.889 32.249 1.00 42.03 ? 65 LYS A CB 1 ATOM 487 C CG . LYS A 1 65 ? -55.879 -19.472 31.425 1.00 45.81 ? 65 LYS A CG 1 ATOM 488 C CD . LYS A 1 65 ? -57.229 -19.275 32.135 1.00 55.27 ? 65 LYS A CD 1 ATOM 489 C CE . LYS A 1 65 ? -58.221 -20.318 31.659 1.00 58.87 ? 65 LYS A CE 1 ATOM 490 N NZ . LYS A 1 65 ? -57.914 -20.642 30.221 1.00 59.75 ? 65 LYS A NZ 1 ATOM 491 N N . LEU A 1 66 ? -52.184 -18.833 30.569 1.00 36.59 ? 66 LEU A N 1 ATOM 492 C CA . LEU A 1 66 ? -51.516 -18.792 29.281 1.00 34.48 ? 66 LEU A CA 1 ATOM 493 C C . LEU A 1 66 ? -50.415 -19.856 29.172 1.00 32.66 ? 66 LEU A C 1 ATOM 494 O O . LEU A 1 66 ? -50.281 -20.498 28.146 1.00 30.88 ? 66 LEU A O 1 ATOM 495 C CB . LEU A 1 66 ? -50.943 -17.411 29.025 1.00 33.86 ? 66 LEU A CB 1 ATOM 496 C CG . LEU A 1 66 ? -50.362 -17.107 27.651 1.00 34.89 ? 66 LEU A CG 1 ATOM 497 C CD1 . LEU A 1 66 ? -51.411 -17.447 26.580 1.00 33.87 ? 66 LEU A CD1 1 ATOM 498 C CD2 . LEU A 1 66 ? -49.963 -15.593 27.607 1.00 32.53 ? 66 LEU A CD2 1 ATOM 499 N N . GLN A 1 67 ? -49.622 -20.007 30.222 1.00 33.01 ? 67 GLN A N 1 ATOM 500 C CA . GLN A 1 67 ? -48.568 -21.005 30.244 1.00 32.51 ? 67 GLN A CA 1 ATOM 501 C C . GLN A 1 67 ? -49.155 -22.407 30.124 1.00 33.38 ? 67 GLN A C 1 ATOM 502 O O . GLN A 1 67 ? -48.602 -23.274 29.408 1.00 32.19 ? 67 GLN A O 1 ATOM 503 C CB . GLN A 1 67 ? -47.774 -20.914 31.537 1.00 32.46 ? 67 GLN A CB 1 ATOM 504 C CG . GLN A 1 67 ? -46.699 -21.975 31.599 1.00 33.76 ? 67 GLN A CG 1 ATOM 505 C CD . GLN A 1 67 ? -45.882 -21.887 32.825 1.00 37.12 ? 67 GLN A CD 1 ATOM 506 O OE1 . GLN A 1 67 ? -44.679 -21.628 32.773 1.00 36.65 ? 67 GLN A OE1 1 ATOM 507 N NE2 . GLN A 1 67 ? -46.532 -22.092 33.975 1.00 41.07 ? 67 GLN A NE2 1 ATOM 508 N N . HIS A 1 68 ? -50.280 -22.627 30.804 1.00 34.68 ? 68 HIS A N 1 ATOM 509 C CA . HIS A 1 68 ? -50.926 -23.913 30.735 1.00 36.33 ? 68 HIS A CA 1 ATOM 510 C C . HIS A 1 68 ? -51.321 -24.251 29.281 1.00 35.18 ? 68 HIS A C 1 ATOM 511 O O . HIS A 1 68 ? -51.055 -25.353 28.809 1.00 35.43 ? 68 HIS A O 1 ATOM 512 C CB . HIS A 1 68 ? -52.130 -24.032 31.700 1.00 38.34 ? 68 HIS A CB 1 ATOM 513 C CG . HIS A 1 68 ? -52.760 -25.389 31.684 1.00 43.51 ? 68 HIS A CG 1 ATOM 514 N ND1 . HIS A 1 68 ? -53.974 -25.643 31.080 1.00 47.50 ? 68 HIS A ND1 1 ATOM 515 C CD2 . HIS A 1 68 ? -52.309 -26.588 32.136 1.00 48.00 ? 68 HIS A CD2 1 ATOM 516 C CE1 . HIS A 1 68 ? -54.267 -26.928 31.200 1.00 49.92 ? 68 HIS A CE1 1 ATOM 517 N NE2 . HIS A 1 68 ? -53.268 -27.526 31.828 1.00 50.15 ? 68 HIS A NE2 1 ATOM 518 N N . MET A 1 69 ? -51.952 -23.318 28.583 1.00 34.39 ? 69 MET A N 1 ATOM 519 C CA . MET A 1 69 ? -52.286 -23.506 27.173 1.00 33.36 ? 69 MET A CA 1 ATOM 520 C C . MET A 1 69 ? -51.029 -23.824 26.327 1.00 31.43 ? 69 MET A C 1 ATOM 521 O O . MET A 1 69 ? -51.097 -24.644 25.380 1.00 30.00 ? 69 MET A O 1 ATOM 522 C CB . MET A 1 69 ? -52.953 -22.242 26.621 1.00 33.44 ? 69 MET A CB 1 ATOM 523 C CG . MET A 1 69 ? -54.302 -21.849 27.260 1.00 39.37 ? 69 MET A CG 1 ATOM 524 S SD . MET A 1 69 ? -55.523 -23.181 27.317 1.00 45.67 ? 69 MET A SD 1 ATOM 525 C CE . MET A 1 69 ? -55.552 -23.518 29.068 1.00 49.47 ? 69 MET A CE 1 ATOM 526 N N . PHE A 1 70 ? -49.896 -23.161 26.614 1.00 29.02 ? 70 PHE A N 1 ATOM 527 C CA . PHE A 1 70 ? -48.684 -23.485 25.846 1.00 27.00 ? 70 PHE A CA 1 ATOM 528 C C . PHE A 1 70 ? -48.193 -24.896 26.192 1.00 27.11 ? 70 PHE A C 1 ATOM 529 O O . PHE A 1 70 ? -47.688 -25.588 25.325 1.00 26.11 ? 70 PHE A O 1 ATOM 530 C CB . PHE A 1 70 ? -47.569 -22.464 26.059 1.00 26.57 ? 70 PHE A CB 1 ATOM 531 C CG . PHE A 1 70 ? -47.683 -21.298 25.168 1.00 25.70 ? 70 PHE A CG 1 ATOM 532 C CD1 . PHE A 1 70 ? -47.408 -21.422 23.809 1.00 25.87 ? 70 PHE A CD1 1 ATOM 533 C CD2 . PHE A 1 70 ? -48.110 -20.062 25.665 1.00 26.34 ? 70 PHE A CD2 1 ATOM 534 C CE1 . PHE A 1 70 ? -47.570 -20.324 22.944 1.00 28.06 ? 70 PHE A CE1 1 ATOM 535 C CE2 . PHE A 1 70 ? -48.221 -18.966 24.825 1.00 26.80 ? 70 PHE A CE2 1 ATOM 536 C CZ . PHE A 1 70 ? -47.955 -19.087 23.467 1.00 26.82 ? 70 PHE A CZ 1 ATOM 537 N N . GLN A 1 71 ? -48.371 -25.313 27.448 1.00 27.32 ? 71 GLN A N 1 ATOM 538 C CA . GLN A 1 71 ? -47.904 -26.607 27.884 1.00 28.27 ? 71 GLN A CA 1 ATOM 539 C C . GLN A 1 71 ? -48.614 -27.683 27.080 1.00 28.89 ? 71 GLN A C 1 ATOM 540 O O . GLN A 1 71 ? -47.961 -28.615 26.588 1.00 28.82 ? 71 GLN A O 1 ATOM 541 C CB . GLN A 1 71 ? -48.141 -26.841 29.368 1.00 29.10 ? 71 GLN A CB 1 ATOM 542 C CG . GLN A 1 71 ? -47.087 -26.202 30.256 1.00 32.32 ? 71 GLN A CG 1 ATOM 543 C CD . GLN A 1 71 ? -47.510 -26.100 31.689 1.00 36.00 ? 71 GLN A CD 1 ATOM 544 O OE1 . GLN A 1 71 ? -48.692 -26.167 31.995 1.00 41.06 ? 71 GLN A OE1 1 ATOM 545 N NE2 . GLN A 1 71 ? -46.546 -25.951 32.590 1.00 39.67 ? 71 GLN A NE2 1 ATOM 546 N N . VAL A 1 72 ? -49.931 -27.542 26.937 1.00 28.79 ? 72 VAL A N 1 ATOM 547 C CA . VAL A 1 72 ? -50.691 -28.468 26.149 1.00 28.97 ? 72 VAL A CA 1 ATOM 548 C C . VAL A 1 72 ? -50.317 -28.395 24.645 1.00 27.57 ? 72 VAL A C 1 ATOM 549 O O . VAL A 1 72 ? -50.125 -29.424 23.994 1.00 28.06 ? 72 VAL A O 1 ATOM 550 C CB . VAL A 1 72 ? -52.185 -28.325 26.397 1.00 30.74 ? 72 VAL A CB 1 ATOM 551 C CG1 . VAL A 1 72 ? -52.948 -29.349 25.552 1.00 28.64 ? 72 VAL A CG1 1 ATOM 552 C CG2 . VAL A 1 72 ? -52.503 -28.566 27.927 1.00 31.24 ? 72 VAL A CG2 1 ATOM 553 N N . TYR A 1 73 ? -50.178 -27.183 24.125 1.00 26.12 ? 73 TYR A N 1 ATOM 554 C CA . TYR A 1 73 ? -49.796 -26.946 22.761 1.00 23.88 ? 73 TYR A CA 1 ATOM 555 C C . TYR A 1 73 ? -48.484 -27.704 22.402 1.00 24.39 ? 73 TYR A C 1 ATOM 556 O O . TYR A 1 73 ? -48.402 -28.336 21.359 1.00 23.63 ? 73 TYR A O 1 ATOM 557 C CB . TYR A 1 73 ? -49.606 -25.458 22.538 1.00 22.61 ? 73 TYR A CB 1 ATOM 558 C CG . TYR A 1 73 ? -48.743 -25.178 21.326 1.00 23.43 ? 73 TYR A CG 1 ATOM 559 C CD1 . TYR A 1 73 ? -49.260 -25.270 20.033 1.00 22.51 ? 73 TYR A CD1 1 ATOM 560 C CD2 . TYR A 1 73 ? -47.396 -24.876 21.470 1.00 24.49 ? 73 TYR A CD2 1 ATOM 561 C CE1 . TYR A 1 73 ? -48.440 -25.051 18.908 1.00 23.03 ? 73 TYR A CE1 1 ATOM 562 C CE2 . TYR A 1 73 ? -46.574 -24.675 20.348 1.00 24.39 ? 73 TYR A CE2 1 ATOM 563 C CZ . TYR A 1 73 ? -47.107 -24.758 19.091 1.00 23.95 ? 73 TYR A CZ 1 ATOM 564 O OH . TYR A 1 73 ? -46.280 -24.536 18.016 1.00 25.04 ? 73 TYR A OH 1 ATOM 565 N N . ARG A 1 74 ? -47.475 -27.641 23.279 1.00 23.53 ? 74 ARG A N 1 ATOM 566 C CA . ARG A 1 74 ? -46.208 -28.305 22.986 1.00 23.64 ? 74 ARG A CA 1 ATOM 567 C C . ARG A 1 74 ? -46.384 -29.828 22.760 1.00 23.17 ? 74 ARG A C 1 ATOM 568 O O . ARG A 1 74 ? -45.802 -30.381 21.834 1.00 22.43 ? 74 ARG A O 1 ATOM 569 C CB . ARG A 1 74 ? -45.142 -27.979 24.061 1.00 23.94 ? 74 ARG A CB 1 ATOM 570 C CG . ARG A 1 74 ? -43.745 -28.485 23.743 1.00 24.56 ? 74 ARG A CG 1 ATOM 571 C CD . ARG A 1 74 ? -42.717 -27.962 24.767 1.00 25.99 ? 74 ARG A CD 1 ATOM 572 N NE . ARG A 1 74 ? -42.834 -28.628 26.063 1.00 26.17 ? 74 ARG A NE 1 ATOM 573 C CZ . ARG A 1 74 ? -41.956 -28.494 27.042 1.00 28.05 ? 74 ARG A CZ 1 ATOM 574 N NH1 . ARG A 1 74 ? -40.880 -27.722 26.896 1.00 24.49 ? 74 ARG A NH1 1 ATOM 575 N NH2 . ARG A 1 74 ? -42.148 -29.145 28.165 1.00 30.96 ? 74 ARG A NH2 1 ATOM 576 N N . VAL A 1 75 ? -47.179 -30.487 23.604 1.00 24.15 ? 75 VAL A N 1 ATOM 577 C CA . VAL A 1 75 ? -47.540 -31.897 23.419 1.00 23.88 ? 75 VAL A CA 1 ATOM 578 C C . VAL A 1 75 ? -48.408 -32.100 22.153 1.00 24.74 ? 75 VAL A C 1 ATOM 579 O O . VAL A 1 75 ? -48.278 -33.124 21.455 1.00 25.90 ? 75 VAL A O 1 ATOM 580 C CB . VAL A 1 75 ? -48.269 -32.459 24.668 1.00 27.13 ? 75 VAL A CB 1 ATOM 581 C CG1 . VAL A 1 75 ? -48.712 -33.962 24.472 1.00 25.29 ? 75 VAL A CG1 1 ATOM 582 C CG2 . VAL A 1 75 ? -47.402 -32.287 26.002 1.00 25.41 ? 75 VAL A CG2 1 ATOM 583 N N . SER A 1 76 ? -49.284 -31.145 21.839 1.00 23.52 ? 76 SER A N 1 ATOM 584 C CA . SER A 1 76 ? -50.222 -31.334 20.729 1.00 23.46 ? 76 SER A CA 1 ATOM 585 C C . SER A 1 76 ? -49.477 -31.227 19.425 1.00 22.62 ? 76 SER A C 1 ATOM 586 O O . SER A 1 76 ? -49.690 -32.017 18.518 1.00 24.05 ? 76 SER A O 1 ATOM 587 C CB . SER A 1 76 ? -51.323 -30.266 20.738 1.00 22.18 ? 76 SER A CB 1 ATOM 588 O OG . SER A 1 76 ? -52.069 -30.356 21.912 1.00 25.31 ? 76 SER A OG 1 ATOM 589 N N . PHE A 1 77 ? -48.581 -30.248 19.364 1.00 22.12 ? 77 PHE A N 1 ATOM 590 C CA . PHE A 1 77 ? -47.742 -29.942 18.208 1.00 21.79 ? 77 PHE A CA 1 ATOM 591 C C . PHE A 1 77 ? -46.923 -31.165 17.844 1.00 22.13 ? 77 PHE A C 1 ATOM 592 O O . PHE A 1 77 ? -46.846 -31.550 16.680 1.00 21.77 ? 77 PHE A O 1 ATOM 593 C CB . PHE A 1 77 ? -46.791 -28.750 18.543 1.00 21.05 ? 77 PHE A CB 1 ATOM 594 C CG . PHE A 1 77 ? -45.761 -28.478 17.471 1.00 21.20 ? 77 PHE A CG 1 ATOM 595 C CD1 . PHE A 1 77 ? -44.511 -29.101 17.515 1.00 18.69 ? 77 PHE A CD1 1 ATOM 596 C CD2 . PHE A 1 77 ? -46.072 -27.632 16.390 1.00 21.65 ? 77 PHE A CD2 1 ATOM 597 C CE1 . PHE A 1 77 ? -43.576 -28.892 16.488 1.00 20.04 ? 77 PHE A CE1 1 ATOM 598 C CE2 . PHE A 1 77 ? -45.168 -27.402 15.388 1.00 20.87 ? 77 PHE A CE2 1 ATOM 599 C CZ . PHE A 1 77 ? -43.892 -28.041 15.439 1.00 21.07 ? 77 PHE A CZ 1 ATOM 600 N N . THR A 1 78 ? -46.323 -31.766 18.872 1.00 22.39 ? 78 THR A N 1 ATOM 601 C CA . THR A 1 78 ? -45.434 -32.888 18.705 1.00 23.64 ? 78 THR A CA 1 ATOM 602 C C . THR A 1 78 ? -46.131 -34.101 18.074 1.00 24.34 ? 78 THR A C 1 ATOM 603 O O . THR A 1 78 ? -45.616 -34.717 17.137 1.00 24.32 ? 78 THR A O 1 ATOM 604 C CB . THR A 1 78 ? -44.776 -33.240 20.063 1.00 25.51 ? 78 THR A CB 1 ATOM 605 O OG1 . THR A 1 78 ? -44.016 -32.105 20.518 1.00 23.06 ? 78 THR A OG1 1 ATOM 606 C CG2 . THR A 1 78 ? -43.869 -34.495 19.956 1.00 23.69 ? 78 THR A CG2 1 ATOM 607 N N . ARG A 1 79 ? -47.325 -34.395 18.548 1.00 24.52 ? 79 ARG A N 1 ATOM 608 C CA . ARG A 1 79 ? -48.098 -35.517 18.006 1.00 25.82 ? 79 ARG A CA 1 ATOM 609 C C . ARG A 1 79 ? -48.700 -35.159 16.641 1.00 25.18 ? 79 ARG A C 1 ATOM 610 O O . ARG A 1 79 ? -48.842 -36.019 15.790 1.00 25.18 ? 79 ARG A O 1 ATOM 611 C CB . ARG A 1 79 ? -49.183 -35.898 19.005 1.00 25.69 ? 79 ARG A CB 1 ATOM 612 C CG . ARG A 1 79 ? -49.721 -37.316 18.836 1.00 31.32 ? 79 ARG A CG 1 ATOM 613 C CD . ARG A 1 79 ? -51.198 -37.210 18.434 1.00 35.47 ? 79 ARG A CD 1 ATOM 614 N NE . ARG A 1 79 ? -52.012 -37.471 19.582 1.00 34.22 ? 79 ARG A NE 1 ATOM 615 C CZ . ARG A 1 79 ? -53.312 -37.211 19.723 1.00 33.91 ? 79 ARG A CZ 1 ATOM 616 N NH1 . ARG A 1 79 ? -54.047 -36.589 18.802 1.00 28.75 ? 79 ARG A NH1 1 ATOM 617 N NH2 . ARG A 1 79 ? -53.855 -37.557 20.870 1.00 28.21 ? 79 ARG A NH2 1 ATOM 618 N N . ASP A 1 80 ? -49.029 -33.882 16.419 1.00 23.79 ? 80 ASP A N 1 ATOM 619 C CA . ASP A 1 80 ? -49.561 -33.494 15.111 1.00 24.12 ? 80 ASP A CA 1 ATOM 620 C C . ASP A 1 80 ? -48.506 -33.645 13.994 1.00 23.52 ? 80 ASP A C 1 ATOM 621 O O . ASP A 1 80 ? -48.790 -34.227 12.947 1.00 23.54 ? 80 ASP A O 1 ATOM 622 C CB . ASP A 1 80 ? -50.220 -32.111 15.136 1.00 22.61 ? 80 ASP A CB 1 ATOM 623 C CG . ASP A 1 80 ? -51.640 -32.120 15.818 1.00 28.24 ? 80 ASP A CG 1 ATOM 624 O OD1 . ASP A 1 80 ? -52.135 -33.173 16.427 1.00 24.81 ? 80 ASP A OD1 1 ATOM 625 O OD2 . ASP A 1 80 ? -52.255 -31.008 15.742 1.00 30.71 ? 80 ASP A OD2 1 ATOM 626 N N . ILE A 1 81 ? -47.270 -33.184 14.243 1.00 22.87 ? 81 ILE A N 1 ATOM 627 C CA . ILE A 1 81 ? -46.199 -33.437 13.297 1.00 21.81 ? 81 ILE A CA 1 ATOM 628 C C . ILE A 1 81 ? -46.033 -34.934 13.026 1.00 23.39 ? 81 ILE A C 1 ATOM 629 O O . ILE A 1 81 ? -45.993 -35.355 11.870 1.00 24.06 ? 81 ILE A O 1 ATOM 630 C CB . ILE A 1 81 ? -44.864 -32.856 13.754 1.00 21.96 ? 81 ILE A CB 1 ATOM 631 C CG1 . ILE A 1 81 ? -44.946 -31.325 13.891 1.00 18.95 ? 81 ILE A CG1 1 ATOM 632 C CG2 . ILE A 1 81 ? -43.739 -33.281 12.751 1.00 23.57 ? 81 ILE A CG2 1 ATOM 633 C CD1 . ILE A 1 81 ? -45.697 -30.583 12.668 1.00 16.56 ? 81 ILE A CD1 1 ATOM 634 N N . GLN A 1 82 ? -45.950 -35.753 14.082 1.00 23.72 ? 82 GLN A N 1 ATOM 635 C CA . GLN A 1 82 ? -45.747 -37.188 13.906 1.00 24.68 ? 82 GLN A CA 1 ATOM 636 C C . GLN A 1 82 ? -46.868 -37.828 13.095 1.00 25.39 ? 82 GLN A C 1 ATOM 637 O O . GLN A 1 82 ? -46.606 -38.736 12.283 1.00 27.02 ? 82 GLN A O 1 ATOM 638 C CB . GLN A 1 82 ? -45.638 -37.896 15.251 1.00 26.08 ? 82 GLN A CB 1 ATOM 639 C CG . GLN A 1 82 ? -44.367 -37.618 15.987 1.00 27.96 ? 82 GLN A CG 1 ATOM 640 C CD . GLN A 1 82 ? -44.483 -37.916 17.464 1.00 31.76 ? 82 GLN A CD 1 ATOM 641 O OE1 . GLN A 1 82 ? -45.590 -38.073 17.998 1.00 33.27 ? 82 GLN A OE1 1 ATOM 642 N NE2 . GLN A 1 82 ? -43.337 -38.011 18.138 1.00 31.28 ? 82 GLN A NE2 1 ATOM 643 N N . GLU A 1 83 ? -48.106 -37.378 13.317 1.00 24.00 ? 83 GLU A N 1 ATOM 644 C CA . GLU A 1 83 ? -49.226 -37.855 12.508 1.00 25.17 ? 83 GLU A CA 1 ATOM 645 C C . GLU A 1 83 ? -49.174 -37.332 11.086 1.00 24.35 ? 83 GLU A C 1 ATOM 646 O O . GLU A 1 83 ? -49.441 -38.093 10.153 1.00 25.56 ? 83 GLU A O 1 ATOM 647 C CB . GLU A 1 83 ? -50.616 -37.600 13.150 1.00 24.08 ? 83 GLU A CB 1 ATOM 648 C CG . GLU A 1 83 ? -50.786 -38.385 14.478 1.00 26.55 ? 83 GLU A CG 1 ATOM 649 C CD . GLU A 1 83 ? -50.770 -39.898 14.296 1.00 29.33 ? 83 GLU A CD 1 ATOM 650 O OE1 . GLU A 1 83 ? -50.109 -40.558 15.107 1.00 32.41 ? 83 GLU A OE1 1 ATOM 651 O OE2 . GLU A 1 83 ? -51.433 -40.445 13.372 1.00 30.44 ? 83 GLU A OE2 1 ATOM 652 N N . LEU A 1 84 ? -48.817 -36.065 10.915 1.00 23.31 ? 84 LEU A N 1 ATOM 653 C CA . LEU A 1 84 ? -48.668 -35.509 9.578 1.00 24.18 ? 84 LEU A CA 1 ATOM 654 C C . LEU A 1 84 ? -47.618 -36.245 8.765 1.00 25.61 ? 84 LEU A C 1 ATOM 655 O O . LEU A 1 84 ? -47.806 -36.433 7.549 1.00 27.72 ? 84 LEU A O 1 ATOM 656 C CB . LEU A 1 84 ? -48.341 -33.997 9.618 1.00 23.87 ? 84 LEU A CB 1 ATOM 657 C CG . LEU A 1 84 ? -49.542 -33.112 9.970 1.00 23.72 ? 84 LEU A CG 1 ATOM 658 C CD1 . LEU A 1 84 ? -49.116 -31.659 10.191 1.00 22.04 ? 84 LEU A CD1 1 ATOM 659 C CD2 . LEU A 1 84 ? -50.668 -33.263 8.873 1.00 25.71 ? 84 LEU A CD2 1 ATOM 660 N N . VAL A 1 85 ? -46.538 -36.696 9.410 1.00 25.51 ? 85 VAL A N 1 ATOM 661 C CA . VAL A 1 85 ? -45.520 -37.496 8.701 1.00 26.43 ? 85 VAL A CA 1 ATOM 662 C C . VAL A 1 85 ? -46.059 -38.853 8.261 1.00 28.26 ? 85 VAL A C 1 ATOM 663 O O . VAL A 1 85 ? -45.750 -39.317 7.164 1.00 29.00 ? 85 VAL A O 1 ATOM 664 C CB . VAL A 1 85 ? -44.256 -37.664 9.541 1.00 26.84 ? 85 VAL A CB 1 ATOM 665 C CG1 . VAL A 1 85 ? -43.313 -38.711 8.933 1.00 30.50 ? 85 VAL A CG1 1 ATOM 666 C CG2 . VAL A 1 85 ? -43.549 -36.327 9.697 1.00 24.76 ? 85 VAL A CG2 1 ATOM 667 N N . LYS A 1 86 ? -46.878 -39.491 9.104 1.00 28.39 ? 86 LYS A N 1 ATOM 668 C CA . LYS A 1 86 ? -47.421 -40.805 8.775 1.00 29.69 ? 86 LYS A CA 1 ATOM 669 C C . LYS A 1 86 ? -48.366 -40.649 7.608 1.00 30.72 ? 86 LYS A C 1 ATOM 670 O O . LYS A 1 86 ? -48.476 -41.523 6.763 1.00 31.32 ? 86 LYS A O 1 ATOM 671 C CB . LYS A 1 86 ? -48.226 -41.408 9.937 1.00 29.42 ? 86 LYS A CB 1 ATOM 672 C CG . LYS A 1 86 ? -47.426 -41.775 11.124 1.00 28.44 ? 86 LYS A CG 1 ATOM 673 C CD . LYS A 1 86 ? -48.322 -42.226 12.243 1.00 28.38 ? 86 LYS A CD 1 ATOM 674 C CE . LYS A 1 86 ? -47.566 -42.231 13.546 1.00 28.89 ? 86 LYS A CE 1 ATOM 675 N NZ . LYS A 1 86 ? -48.367 -42.939 14.604 1.00 31.26 ? 86 LYS A NZ 1 ATOM 676 N N . MET A 1 87 ? -49.074 -39.535 7.596 1.00 30.52 ? 87 MET A N 1 ATOM 677 C CA . MET A 1 87 ? -49.989 -39.233 6.521 1.00 33.37 ? 87 MET A CA 1 ATOM 678 C C . MET A 1 87 ? -49.297 -39.030 5.164 1.00 35.79 ? 87 MET A C 1 ATOM 679 O O . MET A 1 87 ? -49.878 -39.332 4.122 1.00 36.26 ? 87 MET A O 1 ATOM 680 C CB . MET A 1 87 ? -50.704 -37.956 6.867 1.00 31.76 ? 87 MET A CB 1 ATOM 681 C CG . MET A 1 87 ? -51.922 -37.707 6.076 1.00 34.83 ? 87 MET A CG 1 ATOM 682 S SD . MET A 1 87 ? -52.808 -36.271 6.669 1.00 39.62 ? 87 MET A SD 1 ATOM 683 C CE . MET A 1 87 ? -53.428 -36.837 8.240 1.00 32.43 ? 87 MET A CE 1 ATOM 684 N N . MET A 1 88 ? -48.080 -38.475 5.176 1.00 36.98 ? 88 MET A N 1 ATOM 685 C CA . MET A 1 88 ? -47.374 -38.156 3.926 1.00 39.83 ? 88 MET A CA 1 ATOM 686 C C . MET A 1 88 ? -46.502 -39.306 3.479 1.00 43.05 ? 88 MET A C 1 ATOM 687 O O . MET A 1 88 ? -45.986 -39.310 2.362 1.00 44.57 ? 88 MET A O 1 ATOM 688 C CB . MET A 1 88 ? -46.509 -36.909 4.109 1.00 37.89 ? 88 MET A CB 1 ATOM 689 C CG . MET A 1 88 ? -47.335 -35.681 4.425 1.00 39.71 ? 88 MET A CG 1 ATOM 690 S SD . MET A 1 88 ? -48.501 -35.400 3.098 1.00 46.05 ? 88 MET A SD 1 ATOM 691 C CE . MET A 1 88 ? -50.047 -35.992 3.698 1.00 42.11 ? 88 MET A CE 1 ATOM 692 N N . SER A 1 89 ? -46.310 -40.257 4.387 1.00 45.12 ? 89 SER A N 1 ATOM 693 C CA . SER A 1 89 ? -45.456 -41.411 4.171 1.00 48.62 ? 89 SER A CA 1 ATOM 694 C C . SER A 1 89 ? -45.788 -42.145 2.864 1.00 50.84 ? 89 SER A C 1 ATOM 695 O O . SER A 1 89 ? -46.970 -42.293 2.528 1.00 50.71 ? 89 SER A O 1 ATOM 696 C CB . SER A 1 89 ? -45.598 -42.360 5.353 1.00 49.09 ? 89 SER A CB 1 ATOM 697 O OG . SER A 1 89 ? -44.633 -43.377 5.277 1.00 54.70 ? 89 SER A OG 1 ATOM 698 N N . PRO A 1 90 ? -44.747 -42.587 2.111 1.00 53.30 ? 90 PRO A N 1 ATOM 699 C CA . PRO A 1 90 ? -43.303 -42.382 2.371 1.00 54.38 ? 90 PRO A CA 1 ATOM 700 C C . PRO A 1 90 ? -42.672 -41.140 1.720 1.00 54.06 ? 90 PRO A C 1 ATOM 701 O O . PRO A 1 90 ? -41.447 -41.071 1.602 1.00 55.26 ? 90 PRO A O 1 ATOM 702 C CB . PRO A 1 90 ? -42.656 -43.649 1.790 1.00 56.89 ? 90 PRO A CB 1 ATOM 703 C CG . PRO A 1 90 ? -43.571 -44.058 0.670 1.00 57.80 ? 90 PRO A CG 1 ATOM 704 C CD . PRO A 1 90 ? -44.971 -43.549 1.011 1.00 55.60 ? 90 PRO A CD 1 ATOM 705 N N . LYS A 1 91 ? -43.492 -40.179 1.310 1.00 53.26 ? 91 LYS A N 1 ATOM 706 C CA . LYS A 1 91 ? -43.002 -38.974 0.623 1.00 53.31 ? 91 LYS A CA 1 ATOM 707 C C . LYS A 1 91 ? -41.958 -38.214 1.474 1.00 51.77 ? 91 LYS A C 1 ATOM 708 O O . LYS A 1 91 ? -40.886 -37.854 0.966 1.00 51.80 ? 91 LYS A O 1 ATOM 709 C CB . LYS A 1 91 ? -44.200 -38.094 0.213 1.00 52.92 ? 91 LYS A CB 1 ATOM 710 C CG . LYS A 1 91 ? -43.898 -36.655 -0.273 1.00 55.65 ? 91 LYS A CG 1 ATOM 711 C CD . LYS A 1 91 ? -43.810 -36.566 -1.804 1.00 59.00 ? 91 LYS A CD 1 ATOM 712 C CE . LYS A 1 91 ? -42.919 -35.401 -2.235 1.00 59.80 ? 91 LYS A CE 1 ATOM 713 N NZ . LYS A 1 91 ? -42.694 -35.447 -3.726 1.00 65.39 ? 91 LYS A NZ 1 ATOM 714 N N . GLU A 1 92 ? -42.268 -37.980 2.753 1.00 49.07 ? 92 GLU A N 1 ATOM 715 C CA . GLU A 1 92 ? -41.326 -37.334 3.670 1.00 48.37 ? 92 GLU A CA 1 ATOM 716 C C . GLU A 1 92 ? -40.890 -38.294 4.759 1.00 48.39 ? 92 GLU A C 1 ATOM 717 O O . GLU A 1 92 ? -41.717 -39.030 5.323 1.00 49.06 ? 92 GLU A O 1 ATOM 718 C CB . GLU A 1 92 ? -41.959 -36.115 4.339 1.00 46.90 ? 92 GLU A CB 1 ATOM 719 C CG . GLU A 1 92 ? -42.371 -35.007 3.376 1.00 49.19 ? 92 GLU A CG 1 ATOM 720 C CD . GLU A 1 92 ? -41.294 -34.724 2.330 1.00 52.29 ? 92 GLU A CD 1 ATOM 721 O OE1 . GLU A 1 92 ? -40.184 -34.284 2.718 1.00 50.88 ? 92 GLU A OE1 1 ATOM 722 O OE2 . GLU A 1 92 ? -41.564 -34.977 1.126 1.00 55.19 ? 92 GLU A OE2 1 ATOM 723 N N . ASP A 1 93 ? -39.611 -38.310 5.089 1.00 47.41 ? 93 ASP A N 1 ATOM 724 C CA . ASP A 1 93 ? -39.277 -39.064 6.284 1.00 46.78 ? 93 ASP A CA 1 ATOM 725 C C . ASP A 1 93 ? -38.331 -38.344 7.237 1.00 43.30 ? 93 ASP A C 1 ATOM 726 O O . ASP A 1 93 ? -37.830 -37.280 6.915 1.00 42.43 ? 93 ASP A O 1 ATOM 727 C CB . ASP A 1 93 ? -38.842 -40.519 5.973 1.00 50.46 ? 93 ASP A CB 1 ATOM 728 C CG . ASP A 1 93 ? -39.214 -41.510 7.134 1.00 54.71 ? 93 ASP A CG 1 ATOM 729 O OD1 . ASP A 1 93 ? -38.288 -42.194 7.635 1.00 57.50 ? 93 ASP A OD1 1 ATOM 730 O OD2 . ASP A 1 93 ? -40.415 -41.569 7.566 1.00 56.35 ? 93 ASP A OD2 1 ATOM 731 N N . TYR A 1 94 ? -38.156 -38.902 8.426 1.00 40.39 ? 94 TYR A N 1 ATOM 732 C CA . TYR A 1 94 ? -37.222 -38.379 9.428 1.00 38.46 ? 94 TYR A CA 1 ATOM 733 C C . TYR A 1 94 ? -35.780 -38.457 8.932 1.00 39.33 ? 94 TYR A C 1 ATOM 734 O O . TYR A 1 94 ? -35.496 -39.317 8.110 1.00 41.05 ? 94 TYR A O 1 ATOM 735 C CB . TYR A 1 94 ? -37.390 -39.215 10.686 1.00 38.28 ? 94 TYR A CB 1 ATOM 736 C CG . TYR A 1 94 ? -38.778 -39.103 11.270 1.00 34.80 ? 94 TYR A CG 1 ATOM 737 C CD1 . TYR A 1 94 ? -39.662 -40.184 11.266 1.00 32.14 ? 94 TYR A CD1 1 ATOM 738 C CD2 . TYR A 1 94 ? -39.207 -37.904 11.819 1.00 31.23 ? 94 TYR A CD2 1 ATOM 739 C CE1 . TYR A 1 94 ? -40.965 -40.071 11.821 1.00 30.59 ? 94 TYR A CE1 1 ATOM 740 C CE2 . TYR A 1 94 ? -40.488 -37.776 12.383 1.00 31.68 ? 94 TYR A CE2 1 ATOM 741 C CZ . TYR A 1 94 ? -41.357 -38.860 12.391 1.00 31.69 ? 94 TYR A CZ 1 ATOM 742 O OH . TYR A 1 94 ? -42.609 -38.662 12.961 1.00 31.72 ? 94 TYR A OH 1 ATOM 743 N N . PRO A 1 95 ? -34.851 -37.619 9.453 1.00 38.02 ? 95 PRO A N 1 ATOM 744 C CA . PRO A 1 95 ? -34.967 -36.575 10.484 1.00 35.85 ? 95 PRO A CA 1 ATOM 745 C C . PRO A 1 95 ? -35.658 -35.340 9.943 1.00 34.18 ? 95 PRO A C 1 ATOM 746 O O . PRO A 1 95 ? -35.421 -34.950 8.787 1.00 34.89 ? 95 PRO A O 1 ATOM 747 C CB . PRO A 1 95 ? -33.518 -36.225 10.843 1.00 36.38 ? 95 PRO A CB 1 ATOM 748 C CG . PRO A 1 95 ? -32.678 -36.777 9.717 1.00 39.13 ? 95 PRO A CG 1 ATOM 749 C CD . PRO A 1 95 ? -33.440 -37.925 9.124 1.00 40.05 ? 95 PRO A CD 1 ATOM 750 N N . ILE A 1 96 ? -36.514 -34.740 10.761 1.00 30.81 ? 96 ILE A N 1 ATOM 751 C CA . ILE A 1 96 ? -37.205 -33.545 10.341 1.00 29.64 ? 96 ILE A CA 1 ATOM 752 C C . ILE A 1 96 ? -36.920 -32.405 11.309 1.00 28.56 ? 96 ILE A C 1 ATOM 753 O O . ILE A 1 96 ? -36.872 -32.621 12.520 1.00 28.77 ? 96 ILE A O 1 ATOM 754 C CB . ILE A 1 96 ? -38.744 -33.824 10.150 1.00 28.65 ? 96 ILE A CB 1 ATOM 755 C CG1 . ILE A 1 96 ? -38.952 -34.685 8.897 1.00 29.64 ? 96 ILE A CG1 1 ATOM 756 C CG2 . ILE A 1 96 ? -39.571 -32.527 10.133 1.00 25.75 ? 96 ILE A CG2 1 ATOM 757 C CD1 . ILE A 1 96 ? -40.377 -35.094 8.627 1.00 29.62 ? 96 ILE A CD1 1 ATOM 758 N N . GLU A 1 97 ? -36.733 -31.202 10.765 1.00 28.79 ? 97 GLU A N 1 ATOM 759 C CA . GLU A 1 97 ? -36.638 -29.957 11.561 1.00 27.94 ? 97 GLU A CA 1 ATOM 760 C C . GLU A 1 97 ? -37.731 -28.963 11.188 1.00 26.48 ? 97 GLU A C 1 ATOM 761 O O . GLU A 1 97 ? -37.864 -28.605 10.007 1.00 26.43 ? 97 GLU A O 1 ATOM 762 C CB . GLU A 1 97 ? -35.286 -29.295 11.363 1.00 29.50 ? 97 GLU A CB 1 ATOM 763 C CG . GLU A 1 97 ? -35.153 -27.957 12.187 1.00 32.66 ? 97 GLU A CG 1 ATOM 764 C CD . GLU A 1 97 ? -34.921 -28.201 13.690 1.00 36.57 ? 97 GLU A CD 1 ATOM 765 O OE1 . GLU A 1 97 ? -34.368 -29.294 14.087 1.00 37.26 ? 97 GLU A OE1 1 ATOM 766 O OE2 . GLU A 1 97 ? -35.320 -27.299 14.455 1.00 35.39 ? 97 GLU A OE2 1 ATOM 767 N N . ILE A 1 98 ? -38.565 -28.597 12.173 1.00 25.51 ? 98 ILE A N 1 ATOM 768 C CA . ILE A 1 98 ? -39.604 -27.565 12.035 1.00 24.64 ? 98 ILE A CA 1 ATOM 769 C C . ILE A 1 98 ? -39.155 -26.343 12.861 1.00 24.04 ? 98 ILE A C 1 ATOM 770 O O . ILE A 1 98 ? -38.715 -26.503 13.986 1.00 24.06 ? 98 ILE A O 1 ATOM 771 C CB . ILE A 1 98 ? -41.003 -27.999 12.609 1.00 24.98 ? 98 ILE A CB 1 ATOM 772 C CG1 . ILE A 1 98 ? -41.488 -29.376 12.109 1.00 25.73 ? 98 ILE A CG1 1 ATOM 773 C CG2 . ILE A 1 98 ? -42.082 -26.923 12.376 1.00 21.90 ? 98 ILE A CG2 1 ATOM 774 C CD1 . ILE A 1 98 ? -41.834 -29.446 10.687 1.00 26.94 ? 98 ILE A CD1 1 ATOM 775 N N . GLN A 1 99 ? -39.258 -25.131 12.313 1.00 23.84 ? 99 GLN A N 1 ATOM 776 C CA . GLN A 1 99 ? -39.072 -23.903 13.107 1.00 22.34 ? 99 GLN A CA 1 ATOM 777 C C . GLN A 1 99 ? -40.287 -23.009 12.950 1.00 22.25 ? 99 GLN A C 1 ATOM 778 O O . GLN A 1 99 ? -40.854 -22.936 11.860 1.00 22.43 ? 99 GLN A O 1 ATOM 779 C CB . GLN A 1 99 ? -37.828 -23.148 12.646 1.00 22.69 ? 99 GLN A CB 1 ATOM 780 C CG . GLN A 1 99 ? -36.517 -23.878 12.861 1.00 20.65 ? 99 GLN A CG 1 ATOM 781 C CD . GLN A 1 99 ? -35.452 -23.394 11.910 1.00 23.57 ? 99 GLN A CD 1 ATOM 782 O OE1 . GLN A 1 99 ? -35.241 -23.973 10.839 1.00 28.88 ? 99 GLN A OE1 1 ATOM 783 N NE2 . GLN A 1 99 ? -34.798 -22.323 12.266 1.00 23.35 ? 99 GLN A NE2 1 ATOM 784 N N . LEU A 1 100 ? -40.687 -22.344 14.034 1.00 21.93 ? 100 LEU A N 1 ATOM 785 C CA . LEU A 1 100 ? -41.753 -21.373 14.010 1.00 22.98 ? 100 LEU A CA 1 ATOM 786 C C . LEU A 1 100 ? -41.208 -20.061 14.491 1.00 22.78 ? 100 LEU A C 1 ATOM 787 O O . LEU A 1 100 ? -40.512 -20.017 15.483 1.00 22.73 ? 100 LEU A O 1 ATOM 788 C CB . LEU A 1 100 ? -42.905 -21.763 14.951 1.00 22.57 ? 100 LEU A CB 1 ATOM 789 C CG . LEU A 1 100 ? -44.053 -22.530 14.336 1.00 27.37 ? 100 LEU A CG 1 ATOM 790 C CD1 . LEU A 1 100 ? -43.697 -24.000 14.093 1.00 26.45 ? 100 LEU A CD1 1 ATOM 791 C CD2 . LEU A 1 100 ? -45.284 -22.426 15.203 1.00 28.83 ? 100 LEU A CD2 1 ATOM 792 N N . SER A 1 101 ? -41.549 -18.999 13.784 1.00 23.00 ? 101 SER A N 1 ATOM 793 C CA . SER A 1 101 ? -41.314 -17.645 14.237 1.00 23.95 ? 101 SER A CA 1 ATOM 794 C C . SER A 1 101 ? -42.663 -16.905 14.286 1.00 24.38 ? 101 SER A C 1 ATOM 795 O O . SER A 1 101 ? -43.284 -16.679 13.228 1.00 24.87 ? 101 SER A O 1 ATOM 796 C CB . SER A 1 101 ? -40.398 -16.948 13.258 1.00 24.65 ? 101 SER A CB 1 ATOM 797 O OG . SER A 1 101 ? -40.183 -15.625 13.678 1.00 27.30 ? 101 SER A OG 1 ATOM 798 N N . ALA A 1 102 ? -43.094 -16.526 15.493 1.00 23.04 ? 102 ALA A N 1 ATOM 799 C CA . ALA A 1 102 ? -44.387 -15.870 15.732 1.00 23.40 ? 102 ALA A CA 1 ATOM 800 C C . ALA A 1 102 ? -44.230 -14.657 16.655 1.00 24.32 ? 102 ALA A C 1 ATOM 801 O O . ALA A 1 102 ? -43.368 -14.659 17.531 1.00 24.79 ? 102 ALA A O 1 ATOM 802 C CB . ALA A 1 102 ? -45.383 -16.847 16.342 1.00 20.79 ? 102 ALA A CB 1 ATOM 803 N N . GLY A 1 103 ? -45.077 -13.644 16.479 1.00 24.31 ? 103 GLY A N 1 ATOM 804 C CA . GLY A 1 103 ? -44.998 -12.444 17.299 1.00 25.63 ? 103 GLY A CA 1 ATOM 805 C C . GLY A 1 103 ? -45.588 -11.262 16.568 1.00 27.65 ? 103 GLY A C 1 ATOM 806 O O . GLY A 1 103 ? -46.451 -11.417 15.693 1.00 28.34 ? 103 GLY A O 1 ATOM 807 N N . CYS A 1 104 ? -45.160 -10.068 16.926 1.00 28.49 ? 104 CYS A N 1 ATOM 808 C CA . CYS A 1 104 ? -45.735 -8.891 16.306 1.00 32.06 ? 104 CYS A CA 1 ATOM 809 C C . CYS A 1 104 ? -44.749 -7.753 16.312 1.00 33.44 ? 104 CYS A C 1 ATOM 810 O O . CYS A 1 104 ? -43.900 -7.652 17.200 1.00 32.06 ? 104 CYS A O 1 ATOM 811 C CB . CYS A 1 104 ? -47.045 -8.466 16.997 1.00 33.05 ? 104 CYS A CB 1 ATOM 812 S SG . CYS A 1 104 ? -46.948 -8.343 18.813 1.00 38.79 ? 104 CYS A SG 1 ATOM 813 N N . GLU A 1 105 ? -44.851 -6.908 15.298 1.00 36.08 ? 105 GLU A N 1 ATOM 814 C CA . GLU A 1 105 ? -44.107 -5.656 15.306 1.00 39.29 ? 105 GLU A CA 1 ATOM 815 C C . GLU A 1 105 ? -45.013 -4.516 15.782 1.00 41.29 ? 105 GLU A C 1 ATOM 816 O O . GLU A 1 105 ? -46.115 -4.333 15.279 1.00 42.46 ? 105 GLU A O 1 ATOM 817 C CB . GLU A 1 105 ? -43.450 -5.378 13.947 1.00 40.30 ? 105 GLU A CB 1 ATOM 818 C CG . GLU A 1 105 ? -42.403 -4.228 14.019 1.00 45.98 ? 105 GLU A CG 1 ATOM 819 C CD . GLU A 1 105 ? -41.533 -4.069 12.755 1.00 50.00 ? 105 GLU A CD 1 ATOM 820 O OE1 . GLU A 1 105 ? -41.651 -4.903 11.823 1.00 48.62 ? 105 GLU A OE1 1 ATOM 821 O OE2 . GLU A 1 105 ? -40.732 -3.091 12.707 1.00 54.27 ? 105 GLU A OE2 1 ATOM 822 N N . MET A 1 106 ? -44.545 -3.781 16.783 1.00 43.58 ? 106 MET A N 1 ATOM 823 C CA . MET A 1 106 ? -45.281 -2.656 17.368 1.00 46.74 ? 106 MET A CA 1 ATOM 824 C C . MET A 1 106 ? -44.854 -1.330 16.774 1.00 49.37 ? 106 MET A C 1 ATOM 825 O O . MET A 1 106 ? -43.671 -1.000 16.727 1.00 49.37 ? 106 MET A O 1 ATOM 826 C CB . MET A 1 106 ? -45.076 -2.641 18.878 1.00 46.65 ? 106 MET A CB 1 ATOM 827 C CG . MET A 1 106 ? -45.325 -4.010 19.502 1.00 47.13 ? 106 MET A CG 1 ATOM 828 S SD . MET A 1 106 ? -47.093 -4.427 19.583 1.00 53.47 ? 106 MET A SD 1 ATOM 829 C CE . MET A 1 106 ? -47.757 -2.980 20.397 1.00 51.23 ? 106 MET A CE 1 ATOM 830 N N . TYR A 1 107 ? -45.839 -0.561 16.341 1.00 53.04 ? 107 TYR A N 1 ATOM 831 C CA . TYR A 1 107 ? -45.610 0.715 15.674 1.00 56.82 ? 107 TYR A CA 1 ATOM 832 C C . TYR A 1 107 ? -46.111 1.849 16.564 1.00 60.04 ? 107 TYR A C 1 ATOM 833 O O . TYR A 1 107 ? -46.822 1.577 17.537 1.00 59.41 ? 107 TYR A O 1 ATOM 834 C CB . TYR A 1 107 ? -46.293 0.722 14.299 1.00 57.79 ? 107 TYR A CB 1 ATOM 835 C CG . TYR A 1 107 ? -45.726 -0.322 13.357 1.00 56.80 ? 107 TYR A CG 1 ATOM 836 C CD1 . TYR A 1 107 ? -44.467 -0.156 12.771 1.00 57.20 ? 107 TYR A CD1 1 ATOM 837 C CD2 . TYR A 1 107 ? -46.444 -1.478 13.061 1.00 54.86 ? 107 TYR A CD2 1 ATOM 838 C CE1 . TYR A 1 107 ? -43.943 -1.113 11.917 1.00 56.97 ? 107 TYR A CE1 1 ATOM 839 C CE2 . TYR A 1 107 ? -45.926 -2.444 12.213 1.00 54.66 ? 107 TYR A CE2 1 ATOM 840 C CZ . TYR A 1 107 ? -44.678 -2.259 11.644 1.00 55.63 ? 107 TYR A CZ 1 ATOM 841 O OH . TYR A 1 107 ? -44.173 -3.221 10.792 1.00 55.76 ? 107 TYR A OH 1 ATOM 842 N N . PRO A 1 108 ? -45.727 3.115 16.247 1.00 63.32 ? 108 PRO A N 1 ATOM 843 C CA . PRO A 1 108 ? -46.176 4.246 17.049 1.00 66.29 ? 108 PRO A CA 1 ATOM 844 C C . PRO A 1 108 ? -47.694 4.406 17.009 1.00 68.26 ? 108 PRO A C 1 ATOM 845 O O . PRO A 1 108 ? -48.333 4.402 15.935 1.00 69.12 ? 108 PRO A O 1 ATOM 846 C CB . PRO A 1 108 ? -45.491 5.457 16.393 1.00 68.81 ? 108 PRO A CB 1 ATOM 847 C CG . PRO A 1 108 ? -45.218 5.028 14.991 1.00 68.38 ? 108 PRO A CG 1 ATOM 848 C CD . PRO A 1 108 ? -44.865 3.561 15.132 1.00 64.50 ? 108 PRO A CD 1 ATOM 849 N N . GLY A 1 109 ? -48.239 4.535 18.209 1.00 68.95 ? 109 GLY A N 1 ATOM 850 C CA . GLY A 1 109 ? -49.652 4.709 18.420 1.00 70.47 ? 109 GLY A CA 1 ATOM 851 C C . GLY A 1 109 ? -50.243 3.400 18.882 1.00 67.97 ? 109 GLY A C 1 ATOM 852 O O . GLY A 1 109 ? -49.722 2.705 19.773 1.00 65.81 ? 109 GLY A O 1 ATOM 853 N N . ASN A 1 110 ? -51.342 3.069 18.237 1.00 67.92 ? 110 ASN A N 1 ATOM 854 C CA . ASN A 1 110 ? -52.133 1.910 18.578 1.00 65.50 ? 110 ASN A CA 1 ATOM 855 C C . ASN A 1 110 ? -51.863 0.765 17.606 1.00 61.19 ? 110 ASN A C 1 ATOM 856 O O . ASN A 1 110 ? -52.576 -0.232 17.640 1.00 60.63 ? 110 ASN A O 1 ATOM 857 C CB . ASN A 1 110 ? -53.621 2.321 18.504 1.00 68.93 ? 110 ASN A CB 1 ATOM 858 C CG . ASN A 1 110 ? -53.878 3.449 17.467 1.00 73.63 ? 110 ASN A CG 1 ATOM 859 O OD1 . ASN A 1 110 ? -52.983 3.789 16.675 1.00 74.49 ? 110 ASN A OD1 1 ATOM 860 N ND2 . ASN A 1 110 ? -55.095 4.040 17.487 1.00 76.92 ? 110 ASN A ND2 1 ATOM 861 N N . ALA A 1 111 ? -50.860 0.913 16.734 1.00 57.92 ? 111 ALA A N 1 ATOM 862 C CA . ALA A 1 111 ? -50.718 0.035 15.558 1.00 53.86 ? 111 ALA A CA 1 ATOM 863 C C . ALA A 1 111 ? -49.722 -1.114 15.747 1.00 49.26 ? 111 ALA A C 1 ATOM 864 O O . ALA A 1 111 ? -48.722 -0.969 16.460 1.00 47.98 ? 111 ALA A O 1 ATOM 865 C CB . ALA A 1 111 ? -50.380 0.855 14.293 1.00 55.33 ? 111 ALA A CB 1 ATOM 866 N N . SER A 1 112 ? -50.018 -2.249 15.111 1.00 45.42 ? 112 SER A N 1 ATOM 867 C CA . SER A 1 112 ? -49.116 -3.400 15.049 1.00 41.05 ? 112 SER A CA 1 ATOM 868 C C . SER A 1 112 ? -49.445 -4.330 13.864 1.00 39.06 ? 112 SER A C 1 ATOM 869 O O . SER A 1 112 ? -50.524 -4.244 13.278 1.00 38.63 ? 112 SER A O 1 ATOM 870 C CB . SER A 1 112 ? -49.161 -4.184 16.362 1.00 39.48 ? 112 SER A CB 1 ATOM 871 O OG . SER A 1 112 ? -50.467 -4.696 16.585 1.00 40.52 ? 112 SER A OG 1 ATOM 872 N N . GLU A 1 113 ? -48.494 -5.195 13.519 1.00 36.16 ? 113 GLU A N 1 ATOM 873 C CA . GLU A 1 113 ? -48.724 -6.309 12.612 1.00 35.34 ? 113 GLU A CA 1 ATOM 874 C C . GLU A 1 113 ? -48.218 -7.619 13.249 1.00 31.66 ? 113 GLU A C 1 ATOM 875 O O . GLU A 1 113 ? -47.112 -7.655 13.781 1.00 31.02 ? 113 GLU A O 1 ATOM 876 C CB . GLU A 1 113 ? -47.944 -6.120 11.312 1.00 36.11 ? 113 GLU A CB 1 ATOM 877 C CG . GLU A 1 113 ? -48.445 -5.037 10.392 1.00 46.83 ? 113 GLU A CG 1 ATOM 878 C CD . GLU A 1 113 ? -47.803 -5.139 8.991 1.00 56.63 ? 113 GLU A CD 1 ATOM 879 O OE1 . GLU A 1 113 ? -47.493 -6.303 8.563 1.00 57.04 ? 113 GLU A OE1 1 ATOM 880 O OE2 . GLU A 1 113 ? -47.618 -4.064 8.339 1.00 59.26 ? 113 GLU A OE2 1 ATOM 881 N N . SER A 1 114 ? -48.986 -8.693 13.138 1.00 28.52 ? 114 SER A N 1 ATOM 882 C CA . SER A 1 114 ? -48.559 -9.955 13.678 1.00 26.38 ? 114 SER A CA 1 ATOM 883 C C . SER A 1 114 ? -48.168 -10.916 12.546 1.00 25.44 ? 114 SER A C 1 ATOM 884 O O . SER A 1 114 ? -48.523 -10.694 11.382 1.00 26.05 ? 114 SER A O 1 ATOM 885 C CB . SER A 1 114 ? -49.659 -10.552 14.563 1.00 25.61 ? 114 SER A CB 1 ATOM 886 O OG . SER A 1 114 ? -50.062 -9.617 15.552 1.00 24.91 ? 114 SER A OG 1 ATOM 887 N N . PHE A 1 115 ? -47.451 -11.974 12.890 1.00 22.42 ? 115 PHE A N 1 ATOM 888 C CA . PHE A 1 115 ? -47.019 -12.920 11.895 1.00 22.45 ? 115 PHE A CA 1 ATOM 889 C C . PHE A 1 115 ? -46.858 -14.266 12.586 1.00 21.33 ? 115 PHE A C 1 ATOM 890 O O . PHE A 1 115 ? -46.668 -14.337 13.809 1.00 19.72 ? 115 PHE A O 1 ATOM 891 C CB . PHE A 1 115 ? -45.694 -12.452 11.272 1.00 22.46 ? 115 PHE A CB 1 ATOM 892 C CG . PHE A 1 115 ? -44.619 -12.195 12.307 1.00 23.89 ? 115 PHE A CG 1 ATOM 893 C CD1 . PHE A 1 115 ? -44.442 -10.916 12.830 1.00 23.42 ? 115 PHE A CD1 1 ATOM 894 C CD2 . PHE A 1 115 ? -43.828 -13.250 12.784 1.00 20.65 ? 115 PHE A CD2 1 ATOM 895 C CE1 . PHE A 1 115 ? -43.491 -10.662 13.806 1.00 24.92 ? 115 PHE A CE1 1 ATOM 896 C CE2 . PHE A 1 115 ? -42.856 -13.023 13.780 1.00 23.35 ? 115 PHE A CE2 1 ATOM 897 C CZ . PHE A 1 115 ? -42.689 -11.731 14.293 1.00 27.62 ? 115 PHE A CZ 1 ATOM 898 N N . LEU A 1 116 ? -46.954 -15.329 11.792 1.00 21.29 ? 116 LEU A N 1 ATOM 899 C CA . LEU A 1 116 ? -46.671 -16.691 12.248 1.00 19.17 ? 116 LEU A CA 1 ATOM 900 C C . LEU A 1 116 ? -46.088 -17.416 11.017 1.00 19.53 ? 116 LEU A C 1 ATOM 901 O O . LEU A 1 116 ? -46.818 -17.793 10.085 1.00 19.54 ? 116 LEU A O 1 ATOM 902 C CB . LEU A 1 116 ? -47.941 -17.358 12.785 1.00 18.14 ? 116 LEU A CB 1 ATOM 903 C CG . LEU A 1 116 ? -47.782 -18.613 13.672 1.00 18.64 ? 116 LEU A CG 1 ATOM 904 C CD1 . LEU A 1 116 ? -49.126 -19.160 14.157 1.00 16.30 ? 116 LEU A CD1 1 ATOM 905 C CD2 . LEU A 1 116 ? -47.052 -19.698 12.906 1.00 18.02 ? 116 LEU A CD2 1 ATOM 906 N N . HIS A 1 117 ? -44.757 -17.501 10.968 1.00 19.66 ? 117 HIS A N 1 ATOM 907 C CA . HIS A 1 117 ? -44.050 -18.161 9.871 1.00 20.32 ? 117 HIS A CA 1 ATOM 908 C C . HIS A 1 117 ? -43.500 -19.538 10.277 1.00 20.13 ? 117 HIS A C 1 ATOM 909 O O . HIS A 1 117 ? -42.996 -19.704 11.405 1.00 20.16 ? 117 HIS A O 1 ATOM 910 C CB . HIS A 1 117 ? -42.943 -17.235 9.369 1.00 21.45 ? 117 HIS A CB 1 ATOM 911 C CG . HIS A 1 117 ? -43.469 -15.959 8.782 1.00 24.45 ? 117 HIS A CG 1 ATOM 912 N ND1 . HIS A 1 117 ? -42.651 -14.997 8.228 1.00 27.97 ? 117 HIS A ND1 1 ATOM 913 C CD2 . HIS A 1 117 ? -44.743 -15.511 8.621 1.00 24.23 ? 117 HIS A CD2 1 ATOM 914 C CE1 . HIS A 1 117 ? -43.395 -14.000 7.774 1.00 32.42 ? 117 HIS A CE1 1 ATOM 915 N NE2 . HIS A 1 117 ? -44.669 -14.290 7.997 1.00 31.62 ? 117 HIS A NE2 1 ATOM 916 N N . VAL A 1 118 ? -43.613 -20.510 9.372 1.00 20.08 ? 118 VAL A N 1 ATOM 917 C CA . VAL A 1 118 ? -43.195 -21.893 9.628 1.00 19.83 ? 118 VAL A CA 1 ATOM 918 C C . VAL A 1 118 ? -42.153 -22.329 8.600 1.00 21.72 ? 118 VAL A C 1 ATOM 919 O O . VAL A 1 118 ? -42.389 -22.213 7.393 1.00 23.08 ? 118 VAL A O 1 ATOM 920 C CB . VAL A 1 118 ? -44.389 -22.902 9.609 1.00 20.30 ? 118 VAL A CB 1 ATOM 921 C CG1 . VAL A 1 118 ? -43.897 -24.343 9.809 1.00 17.35 ? 118 VAL A CG1 1 ATOM 922 C CG2 . VAL A 1 118 ? -45.449 -22.572 10.745 1.00 16.98 ? 118 VAL A CG2 1 ATOM 923 N N . ALA A 1 119 ? -40.989 -22.787 9.077 1.00 21.55 ? 119 ALA A N 1 ATOM 924 C CA . ALA A 1 119 ? -40.002 -23.368 8.207 1.00 23.02 ? 119 ALA A CA 1 ATOM 925 C C . ALA A 1 119 ? -39.916 -24.885 8.387 1.00 23.73 ? 119 ALA A C 1 ATOM 926 O O . ALA A 1 119 ? -40.016 -25.410 9.509 1.00 23.26 ? 119 ALA A O 1 ATOM 927 C CB . ALA A 1 119 ? -38.646 -22.692 8.382 1.00 23.60 ? 119 ALA A CB 1 ATOM 928 N N . PHE A 1 120 ? -39.789 -25.581 7.263 1.00 24.75 ? 120 PHE A N 1 ATOM 929 C CA . PHE A 1 120 ? -39.608 -27.059 7.219 1.00 25.17 ? 120 PHE A CA 1 ATOM 930 C C . PHE A 1 120 ? -38.232 -27.376 6.600 1.00 26.76 ? 120 PHE A C 1 ATOM 931 O O . PHE A 1 120 ? -37.900 -26.897 5.528 1.00 27.63 ? 120 PHE A O 1 ATOM 932 C CB . PHE A 1 120 ? -40.760 -27.686 6.428 1.00 24.76 ? 120 PHE A CB 1 ATOM 933 C CG . PHE A 1 120 ? -40.649 -29.177 6.222 1.00 24.89 ? 120 PHE A CG 1 ATOM 934 C CD1 . PHE A 1 120 ? -41.121 -30.059 7.180 1.00 23.78 ? 120 PHE A CD1 1 ATOM 935 C CD2 . PHE A 1 120 ? -40.113 -29.688 5.056 1.00 25.01 ? 120 PHE A CD2 1 ATOM 936 C CE1 . PHE A 1 120 ? -41.038 -31.445 6.978 1.00 27.34 ? 120 PHE A CE1 1 ATOM 937 C CE2 . PHE A 1 120 ? -40.027 -31.090 4.845 1.00 28.01 ? 120 PHE A CE2 1 ATOM 938 C CZ . PHE A 1 120 ? -40.484 -31.959 5.804 1.00 24.95 ? 120 PHE A CZ 1 ATOM 939 N N . GLN A 1 121 ? -37.394 -28.109 7.334 1.00 27.81 ? 121 GLN A N 1 ATOM 940 C CA . GLN A 1 121 ? -36.017 -28.374 6.915 1.00 28.96 ? 121 GLN A CA 1 ATOM 941 C C . GLN A 1 121 ? -35.291 -27.075 6.557 1.00 29.71 ? 121 GLN A C 1 ATOM 942 O O . GLN A 1 121 ? -34.494 -27.033 5.618 1.00 31.93 ? 121 GLN A O 1 ATOM 943 C CB . GLN A 1 121 ? -35.988 -29.355 5.732 1.00 31.08 ? 121 GLN A CB 1 ATOM 944 C CG . GLN A 1 121 ? -36.852 -30.602 5.945 1.00 29.12 ? 121 GLN A CG 1 ATOM 945 C CD . GLN A 1 121 ? -36.227 -31.565 6.993 1.00 33.06 ? 121 GLN A CD 1 ATOM 946 O OE1 . GLN A 1 121 ? -35.904 -31.167 8.121 1.00 29.60 ? 121 GLN A OE1 1 ATOM 947 N NE2 . GLN A 1 121 ? -36.048 -32.821 6.604 1.00 30.06 ? 121 GLN A NE2 1 ATOM 948 N N . GLY A 1 122 ? -35.561 -26.020 7.319 1.00 27.41 ? 122 GLY A N 1 ATOM 949 C CA . GLY A 1 122 ? -34.838 -24.766 7.180 1.00 27.79 ? 122 GLY A CA 1 ATOM 950 C C . GLY A 1 122 ? -35.310 -23.848 6.047 1.00 29.01 ? 122 GLY A C 1 ATOM 951 O O . GLY A 1 122 ? -34.614 -22.885 5.722 1.00 29.81 ? 122 GLY A O 1 ATOM 952 N N . LYS A 1 123 ? -36.467 -24.159 5.440 1.00 28.23 ? 123 LYS A N 1 ATOM 953 C CA . LYS A 1 123 ? -37.030 -23.346 4.378 1.00 28.97 ? 123 LYS A CA 1 ATOM 954 C C . LYS A 1 123 ? -38.410 -22.894 4.784 1.00 26.26 ? 123 LYS A C 1 ATOM 955 O O . LYS A 1 123 ? -39.252 -23.690 5.161 1.00 24.51 ? 123 LYS A O 1 ATOM 956 C CB . LYS A 1 123 ? -37.166 -24.101 3.017 1.00 31.47 ? 123 LYS A CB 1 ATOM 957 C CG . LYS A 1 123 ? -35.893 -24.677 2.381 1.00 37.52 ? 123 LYS A CG 1 ATOM 958 C CD . LYS A 1 123 ? -34.681 -23.708 2.381 1.00 45.36 ? 123 LYS A CD 1 ATOM 959 C CE . LYS A 1 123 ? -33.427 -24.455 1.868 1.00 50.21 ? 123 LYS A CE 1 ATOM 960 N NZ . LYS A 1 123 ? -33.799 -25.515 0.846 1.00 49.59 ? 123 LYS A NZ 1 ATOM 961 N N . TYR A 1 124 ? -38.645 -21.607 4.609 1.00 26.20 ? 124 TYR A N 1 ATOM 962 C CA . TYR A 1 124 ? -39.911 -20.977 4.916 1.00 25.49 ? 124 TYR A CA 1 ATOM 963 C C . TYR A 1 124 ? -41.004 -21.457 3.930 1.00 25.23 ? 124 TYR A C 1 ATOM 964 O O . TYR A 1 124 ? -40.890 -21.212 2.743 1.00 26.04 ? 124 TYR A O 1 ATOM 965 C CB . TYR A 1 124 ? -39.669 -19.451 4.783 1.00 26.83 ? 124 TYR A CB 1 ATOM 966 C CG . TYR A 1 124 ? -40.912 -18.627 4.866 1.00 27.54 ? 124 TYR A CG 1 ATOM 967 C CD1 . TYR A 1 124 ? -41.888 -18.921 5.812 1.00 23.46 ? 124 TYR A CD1 1 ATOM 968 C CD2 . TYR A 1 124 ? -41.107 -17.525 4.016 1.00 29.58 ? 124 TYR A CD2 1 ATOM 969 C CE1 . TYR A 1 124 ? -43.059 -18.173 5.887 1.00 27.56 ? 124 TYR A CE1 1 ATOM 970 C CE2 . TYR A 1 124 ? -42.273 -16.744 4.116 1.00 30.48 ? 124 TYR A CE2 1 ATOM 971 C CZ . TYR A 1 124 ? -43.240 -17.091 5.053 1.00 28.74 ? 124 TYR A CZ 1 ATOM 972 O OH . TYR A 1 124 ? -44.399 -16.373 5.180 1.00 29.63 ? 124 TYR A OH 1 ATOM 973 N N . VAL A 1 125 ? -42.049 -22.133 4.421 1.00 23.95 ? 125 VAL A N 1 ATOM 974 C CA . VAL A 1 125 ? -43.047 -22.729 3.535 1.00 23.92 ? 125 VAL A CA 1 ATOM 975 C C . VAL A 1 125 ? -44.507 -22.406 3.849 1.00 23.57 ? 125 VAL A C 1 ATOM 976 O O . VAL A 1 125 ? -45.401 -22.566 2.986 1.00 23.64 ? 125 VAL A O 1 ATOM 977 C CB . VAL A 1 125 ? -42.916 -24.307 3.492 1.00 24.20 ? 125 VAL A CB 1 ATOM 978 C CG1 . VAL A 1 125 ? -41.680 -24.713 2.708 1.00 24.52 ? 125 VAL A CG1 1 ATOM 979 C CG2 . VAL A 1 125 ? -42.935 -24.909 4.913 1.00 21.08 ? 125 VAL A CG2 1 ATOM 980 N N . VAL A 1 126 ? -44.768 -21.989 5.081 1.00 21.53 ? 126 VAL A N 1 ATOM 981 C CA . VAL A 1 126 ? -46.140 -21.901 5.533 1.00 21.45 ? 126 VAL A CA 1 ATOM 982 C C . VAL A 1 126 ? -46.317 -20.714 6.469 1.00 22.15 ? 126 VAL A C 1 ATOM 983 O O . VAL A 1 126 ? -45.434 -20.444 7.278 1.00 22.62 ? 126 VAL A O 1 ATOM 984 C CB . VAL A 1 126 ? -46.525 -23.214 6.285 1.00 21.36 ? 126 VAL A CB 1 ATOM 985 C CG1 . VAL A 1 126 ? -47.789 -23.040 7.136 1.00 20.41 ? 126 VAL A CG1 1 ATOM 986 C CG2 . VAL A 1 126 ? -46.691 -24.399 5.264 1.00 22.08 ? 126 VAL A CG2 1 ATOM 987 N N . ARG A 1 127 ? -47.448 -20.012 6.385 1.00 22.62 ? 127 ARG A N 1 ATOM 988 C CA . ARG A 1 127 ? -47.755 -18.981 7.373 1.00 22.45 ? 127 ARG A CA 1 ATOM 989 C C . ARG A 1 127 ? -49.217 -19.022 7.712 1.00 22.43 ? 127 ARG A C 1 ATOM 990 O O . ARG A 1 127 ? -50.013 -19.537 6.921 1.00 22.92 ? 127 ARG A O 1 ATOM 991 C CB . ARG A 1 127 ? -47.457 -17.579 6.809 1.00 24.08 ? 127 ARG A CB 1 ATOM 992 C CG . ARG A 1 127 ? -48.369 -17.207 5.656 1.00 24.97 ? 127 ARG A CG 1 ATOM 993 C CD . ARG A 1 127 ? -48.101 -15.842 5.201 1.00 27.51 ? 127 ARG A CD 1 ATOM 994 N NE . ARG A 1 127 ? -48.934 -15.476 4.044 1.00 32.25 ? 127 ARG A NE 1 ATOM 995 C CZ . ARG A 1 127 ? -49.036 -14.218 3.579 1.00 35.82 ? 127 ARG A CZ 1 ATOM 996 N NH1 . ARG A 1 127 ? -48.370 -13.234 4.174 1.00 36.69 ? 127 ARG A NH1 1 ATOM 997 N NH2 . ARG A 1 127 ? -49.796 -13.939 2.525 1.00 35.84 ? 127 ARG A NH2 1 ATOM 998 N N . PHE A 1 128 ? -49.566 -18.446 8.862 1.00 21.51 ? 128 PHE A N 1 ATOM 999 C CA . PHE A 1 128 ? -50.952 -18.144 9.163 1.00 21.54 ? 128 PHE A CA 1 ATOM 1000 C C . PHE A 1 128 ? -51.256 -16.759 8.683 1.00 23.82 ? 128 PHE A C 1 ATOM 1001 O O . PHE A 1 128 ? -50.510 -15.822 8.944 1.00 24.44 ? 128 PHE A O 1 ATOM 1002 C CB . PHE A 1 128 ? -51.257 -18.202 10.652 1.00 20.99 ? 128 PHE A CB 1 ATOM 1003 C CG . PHE A 1 128 ? -52.728 -18.368 10.941 1.00 19.47 ? 128 PHE A CG 1 ATOM 1004 C CD1 . PHE A 1 128 ? -53.283 -19.656 11.000 1.00 19.66 ? 128 PHE A CD1 1 ATOM 1005 C CD2 . PHE A 1 128 ? -53.562 -17.238 11.084 1.00 17.89 ? 128 PHE A CD2 1 ATOM 1006 C CE1 . PHE A 1 128 ? -54.680 -19.846 11.241 1.00 19.92 ? 128 PHE A CE1 1 ATOM 1007 C CE2 . PHE A 1 128 ? -54.913 -17.381 11.319 1.00 23.37 ? 128 PHE A CE2 1 ATOM 1008 C CZ . PHE A 1 128 ? -55.497 -18.716 11.402 1.00 25.78 ? 128 PHE A CZ 1 ATOM 1009 N N . TRP A 1 129 ? -52.364 -16.615 7.995 1.00 25.27 ? 129 TRP A N 1 ATOM 1010 C CA . TRP A 1 129 ? -52.654 -15.373 7.378 1.00 28.88 ? 129 TRP A CA 1 ATOM 1011 C C . TRP A 1 129 ? -54.169 -15.215 7.312 1.00 29.81 ? 129 TRP A C 1 ATOM 1012 O O . TRP A 1 129 ? -54.855 -16.071 6.718 1.00 29.56 ? 129 TRP A O 1 ATOM 1013 C CB . TRP A 1 129 ? -52.068 -15.380 5.962 1.00 31.10 ? 129 TRP A CB 1 ATOM 1014 C CG . TRP A 1 129 ? -52.255 -14.071 5.256 1.00 37.74 ? 129 TRP A CG 1 ATOM 1015 C CD1 . TRP A 1 129 ? -53.096 -13.818 4.199 1.00 42.08 ? 129 TRP A CD1 1 ATOM 1016 C CD2 . TRP A 1 129 ? -51.618 -12.840 5.573 1.00 41.42 ? 129 TRP A CD2 1 ATOM 1017 N NE1 . TRP A 1 129 ? -53.010 -12.506 3.841 1.00 46.63 ? 129 TRP A NE1 1 ATOM 1018 C CE2 . TRP A 1 129 ? -52.112 -11.875 4.669 1.00 46.72 ? 129 TRP A CE2 1 ATOM 1019 C CE3 . TRP A 1 129 ? -50.665 -12.456 6.532 1.00 44.88 ? 129 TRP A CE3 1 ATOM 1020 C CZ2 . TRP A 1 129 ? -51.677 -10.543 4.679 1.00 49.96 ? 129 TRP A CZ2 1 ATOM 1021 C CZ3 . TRP A 1 129 ? -50.235 -11.133 6.556 1.00 48.27 ? 129 TRP A CZ3 1 ATOM 1022 C CH2 . TRP A 1 129 ? -50.744 -10.187 5.630 1.00 50.78 ? 129 TRP A CH2 1 ATOM 1023 N N . GLY A 1 130 ? -54.681 -14.130 7.902 1.00 29.96 ? 130 GLY A N 1 ATOM 1024 C CA . GLY A 1 130 ? -56.144 -13.891 7.952 1.00 31.22 ? 130 GLY A CA 1 ATOM 1025 C C . GLY A 1 130 ? -56.833 -14.847 8.921 1.00 30.40 ? 130 GLY A C 1 ATOM 1026 O O . GLY A 1 130 ? -56.765 -14.642 10.132 1.00 28.89 ? 130 GLY A O 1 ATOM 1027 N N . THR A 1 131 ? -57.457 -15.898 8.379 1.00 30.65 ? 131 THR A N 1 ATOM 1028 C CA . THR A 1 131 ? -58.190 -16.899 9.168 1.00 31.42 ? 131 THR A CA 1 ATOM 1029 C C . THR A 1 131 ? -57.763 -18.336 8.886 1.00 30.32 ? 131 THR A C 1 ATOM 1030 O O . THR A 1 131 ? -58.429 -19.276 9.339 1.00 29.74 ? 131 THR A O 1 ATOM 1031 C CB . THR A 1 131 ? -59.685 -16.885 8.858 1.00 33.82 ? 131 THR A CB 1 ATOM 1032 O OG1 . THR A 1 131 ? -59.852 -17.233 7.487 1.00 34.73 ? 131 THR A OG1 1 ATOM 1033 C CG2 . THR A 1 131 ? -60.313 -15.503 9.109 1.00 37.23 ? 131 THR A CG2 1 ATOM 1034 N N . SER A 1 132 ? -56.666 -18.516 8.150 1.00 29.71 ? 132 SER A N 1 ATOM 1035 C CA . SER A 1 132 ? -56.237 -19.850 7.791 1.00 28.92 ? 132 SER A CA 1 ATOM 1036 C C . SER A 1 132 ? -54.738 -19.941 7.519 1.00 27.42 ? 132 SER A C 1 ATOM 1037 O O . SER A 1 132 ? -54.051 -18.908 7.411 1.00 28.19 ? 132 SER A O 1 ATOM 1038 C CB . SER A 1 132 ? -57.032 -20.347 6.583 1.00 30.09 ? 132 SER A CB 1 ATOM 1039 O OG . SER A 1 132 ? -56.567 -19.680 5.428 1.00 33.16 ? 132 SER A OG 1 ATOM 1040 N N . TRP A 1 133 ? -54.238 -21.188 7.509 1.00 24.35 ? 133 TRP A N 1 ATOM 1041 C CA . TRP A 1 133 ? -52.900 -21.515 7.081 1.00 22.71 ? 133 TRP A CA 1 ATOM 1042 C C . TRP A 1 133 ? -52.815 -21.510 5.555 1.00 23.33 ? 133 TRP A C 1 ATOM 1043 O O . TRP A 1 133 ? -53.771 -21.891 4.843 1.00 23.28 ? 133 TRP A O 1 ATOM 1044 C CB . TRP A 1 133 ? -52.535 -22.914 7.565 1.00 20.91 ? 133 TRP A CB 1 ATOM 1045 C CG . TRP A 1 133 ? -52.636 -23.094 9.036 1.00 23.18 ? 133 TRP A CG 1 ATOM 1046 C CD1 . TRP A 1 133 ? -53.715 -23.597 9.746 1.00 22.86 ? 133 TRP A CD1 1 ATOM 1047 C CD2 . TRP A 1 133 ? -51.630 -22.784 10.009 1.00 20.74 ? 133 TRP A CD2 1 ATOM 1048 N NE1 . TRP A 1 133 ? -53.426 -23.596 11.087 1.00 22.24 ? 133 TRP A NE1 1 ATOM 1049 C CE2 . TRP A 1 133 ? -52.156 -23.119 11.276 1.00 21.11 ? 133 TRP A CE2 1 ATOM 1050 C CE3 . TRP A 1 133 ? -50.350 -22.222 9.931 1.00 21.39 ? 133 TRP A CE3 1 ATOM 1051 C CZ2 . TRP A 1 133 ? -51.437 -22.933 12.459 1.00 19.40 ? 133 TRP A CZ2 1 ATOM 1052 C CZ3 . TRP A 1 133 ? -49.630 -22.063 11.089 1.00 22.28 ? 133 TRP A CZ3 1 ATOM 1053 C CH2 . TRP A 1 133 ? -50.175 -22.419 12.343 1.00 19.43 ? 133 TRP A CH2 1 ATOM 1054 N N . GLN A 1 134 ? -51.676 -21.078 5.048 1.00 23.34 ? 134 GLN A N 1 ATOM 1055 C CA . GLN A 1 134 ? -51.435 -21.088 3.609 1.00 25.50 ? 134 GLN A CA 1 ATOM 1056 C C . GLN A 1 134 ? -49.954 -21.383 3.328 1.00 25.52 ? 134 GLN A C 1 ATOM 1057 O O . GLN A 1 134 ? -49.078 -21.084 4.155 1.00 24.92 ? 134 GLN A O 1 ATOM 1058 C CB . GLN A 1 134 ? -51.897 -19.767 2.960 1.00 27.49 ? 134 GLN A CB 1 ATOM 1059 C CG . GLN A 1 134 ? -51.147 -18.576 3.376 1.00 30.30 ? 134 GLN A CG 1 ATOM 1060 C CD . GLN A 1 134 ? -51.461 -17.271 2.577 1.00 39.05 ? 134 GLN A CD 1 ATOM 1061 O OE1 . GLN A 1 134 ? -50.590 -16.398 2.477 1.00 40.39 ? 134 GLN A OE1 1 ATOM 1062 N NE2 . GLN A 1 134 ? -52.690 -17.129 2.052 1.00 40.57 ? 134 GLN A NE2 1 ATOM 1063 N N . THR A 1 135 ? -49.669 -21.986 2.180 1.00 26.38 ? 135 THR A N 1 ATOM 1064 C CA . THR A 1 135 ? -48.272 -22.178 1.766 1.00 26.66 ? 135 THR A CA 1 ATOM 1065 C C . THR A 1 135 ? -47.810 -20.896 1.109 1.00 27.65 ? 135 THR A C 1 ATOM 1066 O O . THR A 1 135 ? -48.617 -20.149 0.628 1.00 28.93 ? 135 THR A O 1 ATOM 1067 C CB . THR A 1 135 ? -48.098 -23.380 0.811 1.00 27.33 ? 135 THR A CB 1 ATOM 1068 O OG1 . THR A 1 135 ? -48.975 -23.231 -0.314 1.00 29.36 ? 135 THR A OG1 1 ATOM 1069 C CG2 . THR A 1 135 ? -48.436 -24.676 1.530 1.00 25.84 ? 135 THR A CG2 1 ATOM 1070 N N . VAL A 1 136 ? -46.518 -20.627 1.118 1.00 28.11 ? 136 VAL A N 1 ATOM 1071 C CA . VAL A 1 136 ? -45.993 -19.404 0.525 1.00 30.21 ? 136 VAL A CA 1 ATOM 1072 C C . VAL A 1 136 ? -45.405 -19.742 -0.864 1.00 32.30 ? 136 VAL A C 1 ATOM 1073 O O . VAL A 1 136 ? -45.232 -20.915 -1.192 1.00 31.79 ? 136 VAL A O 1 ATOM 1074 C CB . VAL A 1 136 ? -44.945 -18.752 1.479 1.00 29.80 ? 136 VAL A CB 1 ATOM 1075 C CG1 . VAL A 1 136 ? -45.519 -18.641 2.912 1.00 29.24 ? 136 VAL A CG1 1 ATOM 1076 C CG2 . VAL A 1 136 ? -43.694 -19.594 1.543 1.00 30.35 ? 136 VAL A CG2 1 ATOM 1077 N N . PRO A 1 137 ? -45.123 -18.727 -1.703 1.00 34.39 ? 137 PRO A N 1 ATOM 1078 C CA . PRO A 1 137 ? -44.529 -19.091 -3.017 1.00 36.15 ? 137 PRO A CA 1 ATOM 1079 C C . PRO A 1 137 ? -43.208 -19.866 -2.871 1.00 35.17 ? 137 PRO A C 1 ATOM 1080 O O . PRO A 1 137 ? -42.372 -19.549 -1.992 1.00 34.37 ? 137 PRO A O 1 ATOM 1081 C CB . PRO A 1 137 ? -44.244 -17.732 -3.687 1.00 37.77 ? 137 PRO A CB 1 ATOM 1082 C CG . PRO A 1 137 ? -44.909 -16.690 -2.842 1.00 38.36 ? 137 PRO A CG 1 ATOM 1083 C CD . PRO A 1 137 ? -45.200 -17.264 -1.492 1.00 34.84 ? 137 PRO A CD 1 ATOM 1084 N N . GLY A 1 138 ? -43.024 -20.861 -3.738 1.00 35.55 ? 138 GLY A N 1 ATOM 1085 C CA . GLY A 1 138 ? -41.832 -21.719 -3.714 1.00 34.31 ? 138 GLY A CA 1 ATOM 1086 C C . GLY A 1 138 ? -42.016 -22.980 -2.881 1.00 31.65 ? 138 GLY A C 1 ATOM 1087 O O . GLY A 1 138 ? -41.147 -23.857 -2.875 1.00 31.66 ? 138 GLY A O 1 ATOM 1088 N N . ALA A 1 139 ? -43.137 -23.070 -2.173 1.00 28.64 ? 139 ALA A N 1 ATOM 1089 C CA . ALA A 1 139 ? -43.416 -24.232 -1.351 1.00 28.16 ? 139 ALA A CA 1 ATOM 1090 C C . ALA A 1 139 ? -43.728 -25.457 -2.223 1.00 29.48 ? 139 ALA A C 1 ATOM 1091 O O . ALA A 1 139 ? -44.266 -25.317 -3.333 1.00 30.60 ? 139 ALA A O 1 ATOM 1092 C CB . ALA A 1 139 ? -44.576 -23.965 -0.364 1.00 27.06 ? 139 ALA A CB 1 ATOM 1093 N N . PRO A 1 140 ? -43.363 -26.663 -1.737 1.00 29.31 ? 140 PRO A N 1 ATOM 1094 C CA . PRO A 1 140 ? -43.684 -27.871 -2.551 1.00 29.97 ? 140 PRO A CA 1 ATOM 1095 C C . PRO A 1 140 ? -45.167 -28.207 -2.428 1.00 28.56 ? 140 PRO A C 1 ATOM 1096 O O . PRO A 1 140 ? -45.751 -27.974 -1.390 1.00 27.46 ? 140 PRO A O 1 ATOM 1097 C CB . PRO A 1 140 ? -42.784 -28.971 -1.942 1.00 29.08 ? 140 PRO A CB 1 ATOM 1098 C CG . PRO A 1 140 ? -42.566 -28.501 -0.482 1.00 28.19 ? 140 PRO A CG 1 ATOM 1099 C CD . PRO A 1 140 ? -42.455 -26.975 -0.608 1.00 27.24 ? 140 PRO A CD 1 ATOM 1100 N N . SER A 1 141 ? -45.771 -28.716 -3.494 1.00 29.43 ? 141 SER A N 1 ATOM 1101 C CA . SER A 1 141 ? -47.199 -29.014 -3.504 1.00 29.17 ? 141 SER A CA 1 ATOM 1102 C C . SER A 1 141 ? -47.689 -30.053 -2.482 1.00 28.85 ? 141 SER A C 1 ATOM 1103 O O . SER A 1 141 ? -48.884 -30.058 -2.144 1.00 29.16 ? 141 SER A O 1 ATOM 1104 C CB . SER A 1 141 ? -47.606 -29.494 -4.894 1.00 30.53 ? 141 SER A CB 1 ATOM 1105 O OG . SER A 1 141 ? -47.306 -28.513 -5.863 1.00 32.72 ? 141 SER A OG 1 ATOM 1106 N N . TRP A 1 142 ? -46.821 -30.949 -2.001 1.00 28.42 ? 142 TRP A N 1 ATOM 1107 C CA . TRP A 1 142 ? -47.322 -32.007 -1.100 1.00 27.40 ? 142 TRP A CA 1 ATOM 1108 C C . TRP A 1 142 ? -47.872 -31.369 0.178 1.00 25.83 ? 142 TRP A C 1 ATOM 1109 O O . TRP A 1 142 ? -48.735 -31.936 0.834 1.00 26.83 ? 142 TRP A O 1 ATOM 1110 C CB . TRP A 1 142 ? -46.282 -33.135 -0.844 1.00 26.48 ? 142 TRP A CB 1 ATOM 1111 C CG . TRP A 1 142 ? -45.060 -32.621 -0.190 1.00 25.99 ? 142 TRP A CG 1 ATOM 1112 C CD1 . TRP A 1 142 ? -43.888 -32.246 -0.806 1.00 25.07 ? 142 TRP A CD1 1 ATOM 1113 C CD2 . TRP A 1 142 ? -44.874 -32.390 1.208 1.00 23.53 ? 142 TRP A CD2 1 ATOM 1114 N NE1 . TRP A 1 142 ? -42.989 -31.812 0.133 1.00 24.49 ? 142 TRP A NE1 1 ATOM 1115 C CE2 . TRP A 1 142 ? -43.572 -31.861 1.372 1.00 25.12 ? 142 TRP A CE2 1 ATOM 1116 C CE3 . TRP A 1 142 ? -45.695 -32.554 2.342 1.00 24.21 ? 142 TRP A CE3 1 ATOM 1117 C CZ2 . TRP A 1 142 ? -43.051 -31.499 2.629 1.00 26.95 ? 142 TRP A CZ2 1 ATOM 1118 C CZ3 . TRP A 1 142 ? -45.171 -32.189 3.607 1.00 26.74 ? 142 TRP A CZ3 1 ATOM 1119 C CH2 . TRP A 1 142 ? -43.860 -31.677 3.732 1.00 25.67 ? 142 TRP A CH2 1 ATOM 1120 N N . LEU A 1 143 ? -47.411 -30.170 0.492 1.00 25.57 ? 143 LEU A N 1 ATOM 1121 C CA . LEU A 1 143 ? -47.838 -29.441 1.688 1.00 24.82 ? 143 LEU A CA 1 ATOM 1122 C C . LEU A 1 143 ? -49.330 -29.125 1.702 1.00 25.62 ? 143 LEU A C 1 ATOM 1123 O O . LEU A 1 143 ? -49.905 -28.928 2.772 1.00 25.96 ? 143 LEU A O 1 ATOM 1124 C CB . LEU A 1 143 ? -47.030 -28.159 1.853 1.00 24.57 ? 143 LEU A CB 1 ATOM 1125 C CG . LEU A 1 143 ? -45.711 -28.380 2.626 1.00 26.56 ? 143 LEU A CG 1 ATOM 1126 C CD1 . LEU A 1 143 ? -44.756 -27.247 2.434 1.00 22.16 ? 143 LEU A CD1 1 ATOM 1127 C CD2 . LEU A 1 143 ? -45.942 -28.599 4.146 1.00 23.00 ? 143 LEU A CD2 1 ATOM 1128 N N . ASP A 1 144 ? -49.958 -29.140 0.527 1.00 26.79 ? 144 ASP A N 1 ATOM 1129 C CA . ASP A 1 144 ? -51.371 -28.908 0.409 1.00 27.90 ? 144 ASP A CA 1 ATOM 1130 C C . ASP A 1 144 ? -52.218 -29.871 1.224 1.00 28.29 ? 144 ASP A C 1 ATOM 1131 O O . ASP A 1 144 ? -53.310 -29.484 1.652 1.00 29.30 ? 144 ASP A O 1 ATOM 1132 C CB . ASP A 1 144 ? -51.825 -28.956 -1.058 1.00 29.48 ? 144 ASP A CB 1 ATOM 1133 C CG . ASP A 1 144 ? -51.344 -27.737 -1.889 1.00 34.25 ? 144 ASP A CG 1 ATOM 1134 O OD1 . ASP A 1 144 ? -50.759 -26.764 -1.346 1.00 34.92 ? 144 ASP A OD1 1 ATOM 1135 O OD2 . ASP A 1 144 ? -51.544 -27.758 -3.136 1.00 40.44 ? 144 ASP A OD2 1 ATOM 1136 N N . LEU A 1 145 ? -51.783 -31.122 1.417 1.00 28.71 ? 145 LEU A N 1 ATOM 1137 C CA . LEU A 1 145 ? -52.582 -32.014 2.263 1.00 29.03 ? 145 LEU A CA 1 ATOM 1138 C C . LEU A 1 145 ? -52.469 -31.612 3.752 1.00 27.29 ? 145 LEU A C 1 ATOM 1139 O O . LEU A 1 145 ? -53.480 -31.372 4.375 1.00 27.73 ? 145 LEU A O 1 ATOM 1140 C CB . LEU A 1 145 ? -52.292 -33.508 2.014 1.00 29.70 ? 145 LEU A CB 1 ATOM 1141 C CG . LEU A 1 145 ? -53.212 -34.530 2.711 1.00 32.80 ? 145 LEU A CG 1 ATOM 1142 C CD1 . LEU A 1 145 ? -54.740 -34.359 2.441 1.00 33.37 ? 145 LEU A CD1 1 ATOM 1143 C CD2 . LEU A 1 145 ? -52.769 -35.962 2.370 1.00 32.02 ? 145 LEU A CD2 1 ATOM 1144 N N . PRO A 1 146 ? -51.250 -31.501 4.313 1.00 26.91 ? 146 PRO A N 1 ATOM 1145 C CA . PRO A 1 146 ? -51.193 -30.917 5.662 1.00 25.85 ? 146 PRO A CA 1 ATOM 1146 C C . PRO A 1 146 ? -51.926 -29.578 5.825 1.00 26.53 ? 146 PRO A C 1 ATOM 1147 O O . PRO A 1 146 ? -52.613 -29.407 6.843 1.00 26.76 ? 146 PRO A O 1 ATOM 1148 C CB . PRO A 1 146 ? -49.688 -30.723 5.916 1.00 25.36 ? 146 PRO A CB 1 ATOM 1149 C CG . PRO A 1 146 ? -48.997 -31.672 5.049 1.00 25.54 ? 146 PRO A CG 1 ATOM 1150 C CD . PRO A 1 146 ? -49.944 -32.062 3.897 1.00 27.09 ? 146 PRO A CD 1 ATOM 1151 N N . ILE A 1 147 ? -51.819 -28.644 4.862 1.00 27.28 ? 147 ILE A N 1 ATOM 1152 C CA . ILE A 1 147 ? -52.602 -27.403 4.947 1.00 27.72 ? 147 ILE A CA 1 ATOM 1153 C C . ILE A 1 147 ? -54.108 -27.689 5.029 1.00 27.83 ? 147 ILE A C 1 ATOM 1154 O O . ILE A 1 147 ? -54.827 -27.103 5.858 1.00 28.12 ? 147 ILE A O 1 ATOM 1155 C CB . ILE A 1 147 ? -52.306 -26.388 3.803 1.00 29.49 ? 147 ILE A CB 1 ATOM 1156 C CG1 . ILE A 1 147 ? -50.894 -25.811 3.905 1.00 30.41 ? 147 ILE A CG1 1 ATOM 1157 C CG2 . ILE A 1 147 ? -53.300 -25.206 3.808 1.00 29.92 ? 147 ILE A CG2 1 ATOM 1158 C CD1 . ILE A 1 147 ? -50.513 -25.333 5.312 1.00 31.14 ? 147 ILE A CD1 1 ATOM 1159 N N . LYS A 1 148 ? -54.586 -28.579 4.177 1.00 27.70 ? 148 LYS A N 1 ATOM 1160 C CA . LYS A 1 148 ? -55.993 -28.917 4.155 1.00 28.89 ? 148 LYS A CA 1 ATOM 1161 C C . LYS A 1 148 ? -56.408 -29.496 5.521 1.00 27.98 ? 148 LYS A C 1 ATOM 1162 O O . LYS A 1 148 ? -57.475 -29.166 6.059 1.00 27.77 ? 148 LYS A O 1 ATOM 1163 C CB . LYS A 1 148 ? -56.308 -29.903 3.018 1.00 29.71 ? 148 LYS A CB 1 ATOM 1164 C CG . LYS A 1 148 ? -57.681 -30.569 3.194 1.00 34.73 ? 148 LYS A CG 1 ATOM 1165 C CD . LYS A 1 148 ? -57.846 -31.827 2.356 1.00 41.90 ? 148 LYS A CD 1 ATOM 1166 C CE . LYS A 1 148 ? -58.448 -31.539 1.004 1.00 47.68 ? 148 LYS A CE 1 ATOM 1167 N NZ . LYS A 1 148 ? -59.874 -31.999 0.944 1.00 51.06 ? 148 LYS A NZ 1 ATOM 1168 N N . VAL A 1 149 ? -55.543 -30.331 6.091 1.00 26.46 ? 149 VAL A N 1 ATOM 1169 C CA . VAL A 1 149 ? -55.865 -30.962 7.350 1.00 27.32 ? 149 VAL A CA 1 ATOM 1170 C C . VAL A 1 149 ? -55.837 -29.939 8.489 1.00 26.21 ? 149 VAL A C 1 ATOM 1171 O O . VAL A 1 149 ? -56.732 -29.892 9.319 1.00 26.79 ? 149 VAL A O 1 ATOM 1172 C CB . VAL A 1 149 ? -54.916 -32.190 7.639 1.00 27.27 ? 149 VAL A CB 1 ATOM 1173 C CG1 . VAL A 1 149 ? -55.167 -32.771 9.002 1.00 27.08 ? 149 VAL A CG1 1 ATOM 1174 C CG2 . VAL A 1 149 ? -55.079 -33.260 6.588 1.00 26.68 ? 149 VAL A CG2 1 ATOM 1175 N N . LEU A 1 150 ? -54.792 -29.138 8.537 1.00 26.16 ? 150 LEU A N 1 ATOM 1176 C CA . LEU A 1 150 ? -54.725 -28.039 9.519 1.00 25.96 ? 150 LEU A CA 1 ATOM 1177 C C . LEU A 1 150 ? -55.904 -27.083 9.408 1.00 26.09 ? 150 LEU A C 1 ATOM 1178 O O . LEU A 1 150 ? -56.449 -26.669 10.408 1.00 26.54 ? 150 LEU A O 1 ATOM 1179 C CB . LEU A 1 150 ? -53.427 -27.249 9.365 1.00 25.00 ? 150 LEU A CB 1 ATOM 1180 C CG . LEU A 1 150 ? -52.174 -28.032 9.748 1.00 27.35 ? 150 LEU A CG 1 ATOM 1181 C CD1 . LEU A 1 150 ? -50.949 -27.239 9.290 1.00 27.01 ? 150 LEU A CD1 1 ATOM 1182 C CD2 . LEU A 1 150 ? -52.117 -28.352 11.277 1.00 27.64 ? 150 LEU A CD2 1 ATOM 1183 N N . ASN A 1 151 ? -56.326 -26.768 8.197 1.00 25.44 ? 151 ASN A N 1 ATOM 1184 C CA . ASN A 1 151 ? -57.465 -25.842 8.036 1.00 26.60 ? 151 ASN A CA 1 ATOM 1185 C C . ASN A 1 151 ? -58.788 -26.436 8.364 1.00 27.07 ? 151 ASN A C 1 ATOM 1186 O O . ASN A 1 151 ? -59.756 -25.694 8.455 1.00 28.67 ? 151 ASN A O 1 ATOM 1187 C CB . ASN A 1 151 ? -57.518 -25.241 6.618 1.00 27.06 ? 151 ASN A CB 1 ATOM 1188 C CG . ASN A 1 151 ? -56.470 -24.174 6.436 1.00 27.52 ? 151 ASN A CG 1 ATOM 1189 O OD1 . ASN A 1 151 ? -56.069 -23.571 7.412 1.00 28.60 ? 151 ASN A OD1 1 ATOM 1190 N ND2 . ASN A 1 151 ? -56.019 -23.944 5.212 1.00 28.36 ? 151 ASN A ND2 1 ATOM 1191 N N . ALA A 1 152 ? -58.856 -27.761 8.500 1.00 25.82 ? 152 ALA A N 1 ATOM 1192 C CA . ALA A 1 152 ? -60.105 -28.373 8.957 1.00 26.93 ? 152 ALA A CA 1 ATOM 1193 C C . ALA A 1 152 ? -60.301 -28.055 10.434 1.00 26.22 ? 152 ALA A C 1 ATOM 1194 O O . ALA A 1 152 ? -61.417 -28.143 10.920 1.00 26.66 ? 152 ALA A O 1 ATOM 1195 C CB . ALA A 1 152 ? -60.104 -29.897 8.740 1.00 26.51 ? 152 ALA A CB 1 ATOM 1196 N N . ASP A 1 153 ? -59.216 -27.700 11.142 1.00 24.87 ? 153 ASP A N 1 ATOM 1197 C CA . ASP A 1 153 ? -59.287 -27.518 12.619 1.00 26.03 ? 153 ASP A CA 1 ATOM 1198 C C . ASP A 1 153 ? -59.768 -26.118 12.983 1.00 26.41 ? 153 ASP A C 1 ATOM 1199 O O . ASP A 1 153 ? -58.945 -25.225 13.166 1.00 25.78 ? 153 ASP A O 1 ATOM 1200 C CB . ASP A 1 153 ? -57.916 -27.743 13.290 1.00 23.98 ? 153 ASP A CB 1 ATOM 1201 C CG . ASP A 1 153 ? -58.025 -27.835 14.847 1.00 26.90 ? 153 ASP A CG 1 ATOM 1202 O OD1 . ASP A 1 153 ? -59.128 -27.529 15.412 1.00 24.72 ? 153 ASP A OD1 1 ATOM 1203 O OD2 . ASP A 1 153 ? -57.011 -28.214 15.511 1.00 24.24 ? 153 ASP A OD2 1 ATOM 1204 N N . GLN A 1 154 ? -61.080 -25.927 13.079 1.00 28.62 ? 154 GLN A N 1 ATOM 1205 C CA . GLN A 1 154 ? -61.661 -24.611 13.334 1.00 30.11 ? 154 GLN A CA 1 ATOM 1206 C C . GLN A 1 154 ? -61.224 -24.013 14.679 1.00 29.34 ? 154 GLN A C 1 ATOM 1207 O O . GLN A 1 154 ? -61.029 -22.792 14.779 1.00 28.55 ? 154 GLN A O 1 ATOM 1208 C CB . GLN A 1 154 ? -63.189 -24.646 13.220 1.00 32.80 ? 154 GLN A CB 1 ATOM 1209 C CG . GLN A 1 154 ? -63.686 -24.896 11.787 1.00 40.45 ? 154 GLN A CG 1 ATOM 1210 C CD . GLN A 1 154 ? -65.181 -24.599 11.593 1.00 50.37 ? 154 GLN A CD 1 ATOM 1211 O OE1 . GLN A 1 154 ? -66.048 -25.419 11.925 1.00 53.09 ? 154 GLN A OE1 1 ATOM 1212 N NE2 . GLN A 1 154 ? -65.484 -23.407 11.060 1.00 55.14 ? 154 GLN A NE2 1 ATOM 1213 N N . GLY A 1 155 ? -61.084 -24.862 15.702 1.00 28.71 ? 155 GLY A N 1 ATOM 1214 C CA . GLY A 1 155 ? -60.715 -24.409 17.057 1.00 27.65 ? 155 GLY A CA 1 ATOM 1215 C C . GLY A 1 155 ? -59.312 -23.862 17.060 1.00 26.22 ? 155 GLY A C 1 ATOM 1216 O O . GLY A 1 155 ? -59.003 -22.886 17.744 1.00 26.77 ? 155 GLY A O 1 ATOM 1217 N N . THR A 1 156 ? -58.437 -24.468 16.269 1.00 25.08 ? 156 THR A N 1 ATOM 1218 C CA . THR A 1 156 ? -57.083 -23.950 16.187 1.00 23.34 ? 156 THR A CA 1 ATOM 1219 C C . THR A 1 156 ? -57.070 -22.625 15.466 1.00 24.11 ? 156 THR A C 1 ATOM 1220 O O . THR A 1 156 ? -56.360 -21.700 15.849 1.00 24.27 ? 156 THR A O 1 ATOM 1221 C CB . THR A 1 156 ? -56.120 -24.943 15.546 1.00 22.35 ? 156 THR A CB 1 ATOM 1222 O OG1 . THR A 1 156 ? -55.945 -26.042 16.459 1.00 23.78 ? 156 THR A OG1 1 ATOM 1223 C CG2 . THR A 1 156 ? -54.725 -24.281 15.281 1.00 17.23 ? 156 THR A CG2 1 ATOM 1224 N N . SER A 1 157 ? -57.894 -22.511 14.441 1.00 24.67 ? 157 SER A N 1 ATOM 1225 C CA . SER A 1 157 ? -57.893 -21.304 13.672 1.00 25.21 ? 157 SER A CA 1 ATOM 1226 C C . SER A 1 157 ? -58.378 -20.127 14.546 1.00 25.89 ? 157 SER A C 1 ATOM 1227 O O . SER A 1 157 ? -57.787 -19.045 14.519 1.00 25.61 ? 157 SER A O 1 ATOM 1228 C CB . SER A 1 157 ? -58.720 -21.480 12.389 1.00 25.90 ? 157 SER A CB 1 ATOM 1229 O OG . SER A 1 157 ? -58.910 -20.218 11.777 1.00 29.15 ? 157 SER A OG 1 ATOM 1230 N N . ALA A 1 158 ? -59.435 -20.340 15.318 1.00 25.50 ? 158 ALA A N 1 ATOM 1231 C CA . ALA A 1 158 ? -59.977 -19.274 16.170 1.00 28.01 ? 158 ALA A CA 1 ATOM 1232 C C . ALA A 1 158 ? -58.971 -18.890 17.250 1.00 27.52 ? 158 ALA A C 1 ATOM 1233 O O . ALA A 1 158 ? -58.806 -17.708 17.536 1.00 29.66 ? 158 ALA A O 1 ATOM 1234 C CB . ALA A 1 158 ? -61.342 -19.676 16.810 1.00 28.21 ? 158 ALA A CB 1 ATOM 1235 N N . THR A 1 159 ? -58.319 -19.877 17.857 1.00 26.04 ? 159 THR A N 1 ATOM 1236 C CA . THR A 1 159 ? -57.271 -19.608 18.837 1.00 25.97 ? 159 THR A CA 1 ATOM 1237 C C . THR A 1 159 ? -56.115 -18.785 18.234 1.00 25.12 ? 159 THR A C 1 ATOM 1238 O O . THR A 1 159 ? -55.708 -17.779 18.812 1.00 26.12 ? 159 THR A O 1 ATOM 1239 C CB . THR A 1 159 ? -56.738 -20.933 19.470 1.00 24.98 ? 159 THR A CB 1 ATOM 1240 O OG1 . THR A 1 159 ? -57.762 -21.525 20.280 1.00 28.06 ? 159 THR A OG1 1 ATOM 1241 C CG2 . THR A 1 159 ? -55.514 -20.694 20.346 1.00 23.94 ? 159 THR A CG2 1 ATOM 1242 N N . VAL A 1 160 ? -55.577 -19.204 17.093 1.00 24.03 ? 160 VAL A N 1 ATOM 1243 C CA . VAL A 1 160 ? -54.465 -18.475 16.462 1.00 23.01 ? 160 VAL A CA 1 ATOM 1244 C C . VAL A 1 160 ? -54.854 -17.016 16.059 1.00 25.16 ? 160 VAL A C 1 ATOM 1245 O O . VAL A 1 160 ? -54.068 -16.079 16.253 1.00 24.61 ? 160 VAL A O 1 ATOM 1246 C CB . VAL A 1 160 ? -53.844 -19.289 15.272 1.00 23.39 ? 160 VAL A CB 1 ATOM 1247 C CG1 . VAL A 1 160 ? -52.801 -18.477 14.497 1.00 19.61 ? 160 VAL A CG1 1 ATOM 1248 C CG2 . VAL A 1 160 ? -53.254 -20.626 15.779 1.00 19.74 ? 160 VAL A CG2 1 ATOM 1249 N N . GLN A 1 161 ? -56.068 -16.812 15.547 1.00 26.02 ? 161 GLN A N 1 ATOM 1250 C CA . GLN A 1 161 ? -56.501 -15.465 15.211 1.00 27.73 ? 161 GLN A CA 1 ATOM 1251 C C . GLN A 1 161 ? -56.527 -14.571 16.470 1.00 29.94 ? 161 GLN A C 1 ATOM 1252 O O . GLN A 1 161 ? -56.191 -13.362 16.400 1.00 30.01 ? 161 GLN A O 1 ATOM 1253 C CB . GLN A 1 161 ? -57.891 -15.438 14.550 1.00 28.97 ? 161 GLN A CB 1 ATOM 1254 C CG . GLN A 1 161 ? -57.971 -16.036 13.169 1.00 25.27 ? 161 GLN A CG 1 ATOM 1255 C CD . GLN A 1 161 ? -59.396 -16.195 12.734 1.00 25.68 ? 161 GLN A CD 1 ATOM 1256 O OE1 . GLN A 1 161 ? -60.147 -15.240 12.780 1.00 25.88 ? 161 GLN A OE1 1 ATOM 1257 N NE2 . GLN A 1 161 ? -59.794 -17.423 12.343 1.00 23.49 ? 161 GLN A NE2 1 ATOM 1258 N N . MET A 1 162 ? -56.921 -15.164 17.601 1.00 30.15 ? 162 MET A N 1 ATOM 1259 C CA . MET A 1 162 ? -57.025 -14.426 18.862 1.00 32.77 ? 162 MET A CA 1 ATOM 1260 C C . MET A 1 162 ? -55.598 -14.124 19.408 1.00 30.33 ? 162 MET A C 1 ATOM 1261 O O . MET A 1 162 ? -55.318 -13.028 19.848 1.00 31.85 ? 162 MET A O 1 ATOM 1262 C CB . MET A 1 162 ? -57.911 -15.188 19.875 1.00 33.23 ? 162 MET A CB 1 ATOM 1263 C CG . MET A 1 162 ? -58.125 -14.485 21.259 1.00 41.64 ? 162 MET A CG 1 ATOM 1264 S SD . MET A 1 162 ? -58.628 -15.582 22.669 1.00 48.87 ? 162 MET A SD 1 ATOM 1265 C CE . MET A 1 162 ? -57.051 -16.399 22.902 1.00 49.44 ? 162 MET A CE 1 ATOM 1266 N N . LEU A 1 163 ? -54.711 -15.099 19.338 1.00 28.15 ? 163 LEU A N 1 ATOM 1267 C CA . LEU A 1 163 ? -53.324 -14.903 19.695 1.00 27.74 ? 163 LEU A CA 1 ATOM 1268 C C . LEU A 1 163 ? -52.632 -13.789 18.910 1.00 27.18 ? 163 LEU A C 1 ATOM 1269 O O . LEU A 1 163 ? -52.017 -12.918 19.498 1.00 27.63 ? 163 LEU A O 1 ATOM 1270 C CB . LEU A 1 163 ? -52.521 -16.179 19.482 1.00 26.14 ? 163 LEU A CB 1 ATOM 1271 C CG . LEU A 1 163 ? -52.644 -17.273 20.530 1.00 29.25 ? 163 LEU A CG 1 ATOM 1272 C CD1 . LEU A 1 163 ? -51.789 -18.526 20.083 1.00 28.57 ? 163 LEU A CD1 1 ATOM 1273 C CD2 . LEU A 1 163 ? -52.178 -16.694 21.879 1.00 31.07 ? 163 LEU A CD2 1 ATOM 1274 N N . LEU A 1 164 ? -52.738 -13.843 17.588 1.00 26.73 ? 164 LEU A N 1 ATOM 1275 C CA . LEU A 1 164 ? -52.097 -12.881 16.698 1.00 26.12 ? 164 LEU A CA 1 ATOM 1276 C C . LEU A 1 164 ? -52.776 -11.514 16.711 1.00 27.64 ? 164 LEU A C 1 ATOM 1277 O O . LEU A 1 164 ? -52.094 -10.506 16.759 1.00 27.75 ? 164 LEU A O 1 ATOM 1278 C CB . LEU A 1 164 ? -51.985 -13.454 15.284 1.00 24.77 ? 164 LEU A CB 1 ATOM 1279 C CG . LEU A 1 164 ? -51.152 -14.722 15.087 1.00 24.22 ? 164 LEU A CG 1 ATOM 1280 C CD1 . LEU A 1 164 ? -51.235 -15.103 13.615 1.00 23.21 ? 164 LEU A CD1 1 ATOM 1281 C CD2 . LEU A 1 164 ? -49.691 -14.482 15.465 1.00 23.70 ? 164 LEU A CD2 1 ATOM 1282 N N . ASN A 1 165 ? -54.106 -11.469 16.685 1.00 28.83 ? 165 ASN A N 1 ATOM 1283 C CA . ASN A 1 165 ? -54.791 -10.183 16.608 1.00 31.80 ? 165 ASN A CA 1 ATOM 1284 C C . ASN A 1 165 ? -54.914 -9.435 17.937 1.00 34.01 ? 165 ASN A C 1 ATOM 1285 O O . ASN A 1 165 ? -55.117 -8.220 17.918 1.00 35.99 ? 165 ASN A O 1 ATOM 1286 C CB . ASN A 1 165 ? -56.241 -10.295 16.043 1.00 33.20 ? 165 ASN A CB 1 ATOM 1287 C CG . ASN A 1 165 ? -56.309 -10.807 14.611 1.00 33.60 ? 165 ASN A CG 1 ATOM 1288 O OD1 . ASN A 1 165 ? -55.300 -11.155 14.002 1.00 30.69 ? 165 ASN A OD1 1 ATOM 1289 N ND2 . ASN A 1 165 ? -57.526 -10.849 14.070 1.00 33.43 ? 165 ASN A ND2 1 ATOM 1290 N N . ASP A 1 166 ? -54.931 -10.143 19.072 1.00 34.06 ? 166 ASP A N 1 ATOM 1291 C CA . ASP A 1 166 ? -55.296 -9.487 20.341 1.00 36.77 ? 166 ASP A CA 1 ATOM 1292 C C . ASP A 1 166 ? -54.283 -9.759 21.432 1.00 35.59 ? 166 ASP A C 1 ATOM 1293 O O . ASP A 1 166 ? -53.721 -8.829 21.978 1.00 35.80 ? 166 ASP A O 1 ATOM 1294 C CB . ASP A 1 166 ? -56.699 -9.895 20.826 1.00 38.68 ? 166 ASP A CB 1 ATOM 1295 C CG . ASP A 1 166 ? -57.789 -9.626 19.796 1.00 43.26 ? 166 ASP A CG 1 ATOM 1296 O OD1 . ASP A 1 166 ? -57.722 -8.608 19.089 1.00 48.80 ? 166 ASP A OD1 1 ATOM 1297 O OD2 . ASP A 1 166 ? -58.727 -10.446 19.679 1.00 48.79 ? 166 ASP A OD2 1 ATOM 1298 N N . THR A 1 167 ? -54.020 -11.037 21.714 1.00 34.42 ? 167 THR A N 1 ATOM 1299 C CA . THR A 1 167 ? -53.198 -11.399 22.847 1.00 34.14 ? 167 THR A CA 1 ATOM 1300 C C . THR A 1 167 ? -51.787 -10.893 22.669 1.00 33.96 ? 167 THR A C 1 ATOM 1301 O O . THR A 1 167 ? -51.214 -10.323 23.602 1.00 35.10 ? 167 THR A O 1 ATOM 1302 C CB . THR A 1 167 ? -53.137 -12.908 23.018 1.00 33.31 ? 167 THR A CB 1 ATOM 1303 O OG1 . THR A 1 167 ? -54.462 -13.429 22.894 1.00 35.45 ? 167 THR A OG1 1 ATOM 1304 C CG2 . THR A 1 167 ? -52.527 -13.283 24.393 1.00 31.32 ? 167 THR A CG2 1 ATOM 1305 N N . CYS A 1 168 ? -51.210 -11.119 21.491 1.00 32.56 ? 168 CYS A N 1 ATOM 1306 C CA . CYS A 1 168 ? -49.828 -10.733 21.260 1.00 32.42 ? 168 CYS A CA 1 ATOM 1307 C C . CYS A 1 168 ? -49.576 -9.213 21.409 1.00 32.68 ? 168 CYS A C 1 ATOM 1308 O O . CYS A 1 168 ? -48.781 -8.830 22.258 1.00 32.18 ? 168 CYS A O 1 ATOM 1309 C CB . CYS A 1 168 ? -49.272 -11.315 19.944 1.00 32.25 ? 168 CYS A CB 1 ATOM 1310 S SG . CYS A 1 168 ? -47.498 -10.996 19.698 1.00 37.75 ? 168 CYS A SG 1 ATOM 1311 N N . PRO A 1 169 ? -50.264 -8.350 20.622 1.00 33.37 ? 169 PRO A N 1 ATOM 1312 C CA . PRO A 1 169 ? -50.080 -6.896 20.848 1.00 34.24 ? 169 PRO A CA 1 ATOM 1313 C C . PRO A 1 169 ? -50.411 -6.415 22.280 1.00 35.26 ? 169 PRO A C 1 ATOM 1314 O O . PRO A 1 169 ? -49.684 -5.583 22.818 1.00 35.36 ? 169 PRO A O 1 ATOM 1315 C CB . PRO A 1 169 ? -51.006 -6.227 19.812 1.00 35.30 ? 169 PRO A CB 1 ATOM 1316 C CG . PRO A 1 169 ? -51.819 -7.361 19.189 1.00 35.94 ? 169 PRO A CG 1 ATOM 1317 C CD . PRO A 1 169 ? -51.041 -8.633 19.397 1.00 33.46 ? 169 PRO A CD 1 ATOM 1318 N N . LEU A 1 170 ? -51.470 -6.935 22.895 1.00 35.02 ? 170 LEU A N 1 ATOM 1319 C CA . LEU A 1 170 ? -51.786 -6.576 24.269 1.00 37.10 ? 170 LEU A CA 1 ATOM 1320 C C . LEU A 1 170 ? -50.616 -6.886 25.232 1.00 35.53 ? 170 LEU A C 1 ATOM 1321 O O . LEU A 1 170 ? -50.174 -6.020 26.015 1.00 36.23 ? 170 LEU A O 1 ATOM 1322 C CB . LEU A 1 170 ? -53.065 -7.278 24.730 1.00 38.33 ? 170 LEU A CB 1 ATOM 1323 C CG . LEU A 1 170 ? -53.613 -6.782 26.081 1.00 44.39 ? 170 LEU A CG 1 ATOM 1324 C CD1 . LEU A 1 170 ? -53.346 -5.283 26.365 1.00 47.73 ? 170 LEU A CD1 1 ATOM 1325 C CD2 . LEU A 1 170 ? -55.112 -7.094 26.222 1.00 49.73 ? 170 LEU A CD2 1 ATOM 1326 N N . PHE A 1 171 ? -50.119 -8.120 25.136 1.00 33.33 ? 171 PHE A N 1 ATOM 1327 C CA . PHE A 1 171 ? -48.981 -8.598 25.912 1.00 31.50 ? 171 PHE A CA 1 ATOM 1328 C C . PHE A 1 171 ? -47.733 -7.743 25.731 1.00 30.59 ? 171 PHE A C 1 ATOM 1329 O O . PHE A 1 171 ? -47.171 -7.303 26.705 1.00 31.70 ? 171 PHE A O 1 ATOM 1330 C CB . PHE A 1 171 ? -48.668 -10.048 25.583 1.00 28.76 ? 171 PHE A CB 1 ATOM 1331 C CG . PHE A 1 171 ? -47.506 -10.603 26.371 1.00 30.14 ? 171 PHE A CG 1 ATOM 1332 C CD1 . PHE A 1 171 ? -47.568 -10.688 27.763 1.00 31.46 ? 171 PHE A CD1 1 ATOM 1333 C CD2 . PHE A 1 171 ? -46.357 -11.050 25.728 1.00 28.61 ? 171 PHE A CD2 1 ATOM 1334 C CE1 . PHE A 1 171 ? -46.512 -11.216 28.514 1.00 30.17 ? 171 PHE A CE1 1 ATOM 1335 C CE2 . PHE A 1 171 ? -45.279 -11.568 26.463 1.00 29.65 ? 171 PHE A CE2 1 ATOM 1336 C CZ . PHE A 1 171 ? -45.368 -11.657 27.878 1.00 31.36 ? 171 PHE A CZ 1 ATOM 1337 N N . VAL A 1 172 ? -47.354 -7.469 24.485 1.00 30.23 ? 172 VAL A N 1 ATOM 1338 C CA . VAL A 1 172 ? -46.150 -6.709 24.151 1.00 30.28 ? 172 VAL A CA 1 ATOM 1339 C C . VAL A 1 172 ? -46.233 -5.292 24.627 1.00 32.93 ? 172 VAL A C 1 ATOM 1340 O O . VAL A 1 172 ? -45.239 -4.747 25.142 1.00 34.18 ? 172 VAL A O 1 ATOM 1341 C CB . VAL A 1 172 ? -45.849 -6.710 22.647 1.00 29.86 ? 172 VAL A CB 1 ATOM 1342 C CG1 . VAL A 1 172 ? -44.591 -5.880 22.337 1.00 29.30 ? 172 VAL A CG1 1 ATOM 1343 C CG2 . VAL A 1 172 ? -45.643 -8.132 22.189 1.00 26.81 ? 172 VAL A CG2 1 ATOM 1344 N N . ARG A 1 173 ? -47.411 -4.693 24.508 1.00 34.19 ? 173 ARG A N 1 ATOM 1345 C CA . ARG A 1 173 ? -47.570 -3.358 25.040 1.00 36.84 ? 173 ARG A CA 1 ATOM 1346 C C . ARG A 1 173 ? -47.255 -3.347 26.537 1.00 36.22 ? 173 ARG A C 1 ATOM 1347 O O . ARG A 1 173 ? -46.607 -2.438 27.020 1.00 37.07 ? 173 ARG A O 1 ATOM 1348 C CB . ARG A 1 173 ? -48.945 -2.792 24.718 1.00 39.66 ? 173 ARG A CB 1 ATOM 1349 C CG . ARG A 1 173 ? -48.954 -2.038 23.398 1.00 46.84 ? 173 ARG A CG 1 ATOM 1350 C CD . ARG A 1 173 ? -50.314 -1.354 23.060 1.00 59.76 ? 173 ARG A CD 1 ATOM 1351 N NE . ARG A 1 173 ? -51.136 -2.175 22.141 1.00 65.31 ? 173 ARG A NE 1 ATOM 1352 C CZ . ARG A 1 173 ? -52.317 -2.734 22.446 1.00 67.64 ? 173 ARG A CZ 1 ATOM 1353 N NH1 . ARG A 1 173 ? -52.869 -2.569 23.655 1.00 68.75 ? 173 ARG A NH1 1 ATOM 1354 N NH2 . ARG A 1 173 ? -52.963 -3.449 21.528 1.00 66.38 ? 173 ARG A NH2 1 ATOM 1355 N N . GLY A 1 174 ? -47.664 -4.390 27.255 1.00 34.43 ? 174 GLY A N 1 ATOM 1356 C CA . GLY A 1 174 ? -47.356 -4.483 28.663 1.00 33.98 ? 174 GLY A CA 1 ATOM 1357 C C . GLY A 1 174 ? -45.879 -4.701 28.904 1.00 32.78 ? 174 GLY A C 1 ATOM 1358 O O . GLY A 1 174 ? -45.315 -4.159 29.844 1.00 33.61 ? 174 GLY A O 1 ATOM 1359 N N . LEU A 1 175 ? -45.252 -5.501 28.052 1.00 31.05 ? 175 LEU A N 1 ATOM 1360 C CA . LEU A 1 175 ? -43.826 -5.737 28.157 1.00 30.62 ? 175 LEU A CA 1 ATOM 1361 C C . LEU A 1 175 ? -43.045 -4.466 27.986 1.00 31.61 ? 175 LEU A C 1 ATOM 1362 O O . LEU A 1 175 ? -42.077 -4.242 28.715 1.00 32.93 ? 175 LEU A O 1 ATOM 1363 C CB . LEU A 1 175 ? -43.343 -6.727 27.099 1.00 28.15 ? 175 LEU A CB 1 ATOM 1364 C CG . LEU A 1 175 ? -43.282 -8.214 27.379 1.00 27.28 ? 175 LEU A CG 1 ATOM 1365 C CD1 . LEU A 1 175 ? -42.824 -8.939 26.102 1.00 24.08 ? 175 LEU A CD1 1 ATOM 1366 C CD2 . LEU A 1 175 ? -42.421 -8.625 28.608 1.00 25.90 ? 175 LEU A CD2 1 ATOM 1367 N N . LEU A 1 176 ? -43.453 -3.644 27.022 1.00 33.23 ? 176 LEU A N 1 ATOM 1368 C CA . LEU A 1 176 ? -42.775 -2.363 26.732 1.00 35.07 ? 176 LEU A CA 1 ATOM 1369 C C . LEU A 1 176 ? -42.819 -1.401 27.892 1.00 37.38 ? 176 LEU A C 1 ATOM 1370 O O . LEU A 1 176 ? -41.836 -0.717 28.167 1.00 38.03 ? 176 LEU A O 1 ATOM 1371 C CB . LEU A 1 176 ? -43.304 -1.701 25.440 1.00 35.82 ? 176 LEU A CB 1 ATOM 1372 C CG . LEU A 1 176 ? -43.092 -2.457 24.104 1.00 36.23 ? 176 LEU A CG 1 ATOM 1373 C CD1 . LEU A 1 176 ? -43.981 -1.834 23.052 1.00 39.57 ? 176 LEU A CD1 1 ATOM 1374 C CD2 . LEU A 1 176 ? -41.619 -2.403 23.638 1.00 35.10 ? 176 LEU A CD2 1 ATOM 1375 N N . GLU A 1 177 ? -43.950 -1.345 28.581 1.00 39.10 ? 177 GLU A N 1 ATOM 1376 C CA . GLU A 1 177 ? -44.035 -0.506 29.775 1.00 42.71 ? 177 GLU A CA 1 ATOM 1377 C C . GLU A 1 177 ? -43.173 -1.099 30.896 1.00 41.30 ? 177 GLU A C 1 ATOM 1378 O O . GLU A 1 177 ? -42.405 -0.383 31.500 1.00 41.49 ? 177 GLU A O 1 ATOM 1379 C CB . GLU A 1 177 ? -45.482 -0.316 30.266 1.00 45.22 ? 177 GLU A CB 1 ATOM 1380 C CG . GLU A 1 177 ? -46.513 0.167 29.226 1.00 51.21 ? 177 GLU A CG 1 ATOM 1381 C CD . GLU A 1 177 ? -47.951 0.251 29.810 1.00 60.02 ? 177 GLU A CD 1 ATOM 1382 O OE1 . GLU A 1 177 ? -48.197 1.094 30.715 1.00 63.35 ? 177 GLU A OE1 1 ATOM 1383 O OE2 . GLU A 1 177 ? -48.831 -0.529 29.356 1.00 61.22 ? 177 GLU A OE2 1 ATOM 1384 N N . ALA A 1 178 ? -43.288 -2.409 31.150 1.00 39.33 ? 178 ALA A N 1 ATOM 1385 C CA . ALA A 1 178 ? -42.544 -3.038 32.260 1.00 38.85 ? 178 ALA A CA 1 ATOM 1386 C C . ALA A 1 178 ? -41.013 -3.058 32.052 1.00 38.08 ? 178 ALA A C 1 ATOM 1387 O O . ALA A 1 178 ? -40.260 -2.882 32.996 1.00 38.69 ? 178 ALA A O 1 ATOM 1388 C CB . ALA A 1 178 ? -43.056 -4.465 32.531 1.00 37.66 ? 178 ALA A CB 1 ATOM 1389 N N . GLY A 1 179 ? -40.566 -3.284 30.827 1.00 36.43 ? 179 GLY A N 1 ATOM 1390 C CA . GLY A 1 179 ? -39.139 -3.328 30.564 1.00 37.06 ? 179 GLY A CA 1 ATOM 1391 C C . GLY A 1 179 ? -38.483 -2.043 30.074 1.00 38.73 ? 179 GLY A C 1 ATOM 1392 O O . GLY A 1 179 ? -37.347 -2.078 29.629 1.00 38.39 ? 179 GLY A O 1 ATOM 1393 N N . LYS A 1 180 ? -39.195 -0.924 30.154 1.00 40.72 ? 180 LYS A N 1 ATOM 1394 C CA . LYS A 1 180 ? -38.736 0.364 29.612 1.00 43.25 ? 180 LYS A CA 1 ATOM 1395 C C . LYS A 1 180 ? -37.289 0.658 30.009 1.00 43.53 ? 180 LYS A C 1 ATOM 1396 O O . LYS A 1 180 ? -36.452 1.013 29.179 1.00 43.70 ? 180 LYS A O 1 ATOM 1397 C CB . LYS A 1 180 ? -39.673 1.498 30.094 1.00 45.53 ? 180 LYS A CB 1 ATOM 1398 C CG . LYS A 1 180 ? -39.236 2.945 29.772 1.00 49.85 ? 180 LYS A CG 1 ATOM 1399 C CD . LYS A 1 180 ? -40.401 3.947 29.930 1.00 54.55 ? 180 LYS A CD 1 ATOM 1400 C CE . LYS A 1 180 ? -39.929 5.356 30.326 1.00 60.90 ? 180 LYS A CE 1 ATOM 1401 N NZ . LYS A 1 180 ? -39.512 6.199 29.157 1.00 63.32 ? 180 LYS A NZ 1 ATOM 1402 N N . SER A 1 181 ? -37.023 0.460 31.286 1.00 44.02 ? 181 SER A N 1 ATOM 1403 C CA . SER A 1 181 ? -35.755 0.761 31.908 1.00 44.98 ? 181 SER A CA 1 ATOM 1404 C C . SER A 1 181 ? -34.613 -0.019 31.267 1.00 43.71 ? 181 SER A C 1 ATOM 1405 O O . SER A 1 181 ? -33.614 0.582 30.889 1.00 44.79 ? 181 SER A O 1 ATOM 1406 C CB . SER A 1 181 ? -35.868 0.432 33.394 1.00 45.85 ? 181 SER A CB 1 ATOM 1407 O OG . SER A 1 181 ? -35.029 1.247 34.149 1.00 48.27 ? 181 SER A OG 1 ATOM 1408 N N . ASP A 1 182 ? -34.770 -1.345 31.138 1.00 41.38 ? 182 ASP A N 1 ATOM 1409 C CA . ASP A 1 182 ? -33.805 -2.180 30.449 1.00 40.21 ? 182 ASP A CA 1 ATOM 1410 C C . ASP A 1 182 ? -33.776 -1.914 28.945 1.00 39.31 ? 182 ASP A C 1 ATOM 1411 O O . ASP A 1 182 ? -32.703 -1.900 28.333 1.00 39.82 ? 182 ASP A O 1 ATOM 1412 C CB . ASP A 1 182 ? -34.103 -3.666 30.660 1.00 39.61 ? 182 ASP A CB 1 ATOM 1413 C CG . ASP A 1 182 ? -33.574 -4.217 31.983 1.00 42.54 ? 182 ASP A CG 1 ATOM 1414 O OD1 . ASP A 1 182 ? -32.905 -3.478 32.753 1.00 45.32 ? 182 ASP A OD1 1 ATOM 1415 O OD2 . ASP A 1 182 ? -33.838 -5.429 32.239 1.00 45.05 ? 182 ASP A OD2 1 ATOM 1416 N N . LEU A 1 183 ? -34.941 -1.690 28.340 1.00 37.82 ? 183 LEU A N 1 ATOM 1417 C CA . LEU A 1 183 ? -34.995 -1.443 26.907 1.00 36.82 ? 183 LEU A CA 1 ATOM 1418 C C . LEU A 1 183 ? -34.215 -0.210 26.498 1.00 38.08 ? 183 LEU A C 1 ATOM 1419 O O . LEU A 1 183 ? -33.618 -0.171 25.427 1.00 37.48 ? 183 LEU A O 1 ATOM 1420 C CB . LEU A 1 183 ? -36.445 -1.366 26.418 1.00 36.59 ? 183 LEU A CB 1 ATOM 1421 C CG . LEU A 1 183 ? -37.174 -2.708 26.381 1.00 34.36 ? 183 LEU A CG 1 ATOM 1422 C CD1 . LEU A 1 183 ? -38.627 -2.485 26.169 1.00 34.29 ? 183 LEU A CD1 1 ATOM 1423 C CD2 . LEU A 1 183 ? -36.592 -3.678 25.317 1.00 32.56 ? 183 LEU A CD2 1 ATOM 1424 N N . GLU A 1 184 ? -34.227 0.791 27.366 1.00 39.74 ? 184 GLU A N 1 ATOM 1425 C CA . GLU A 1 184 ? -33.581 2.054 27.087 1.00 42.68 ? 184 GLU A CA 1 ATOM 1426 C C . GLU A 1 184 ? -32.234 2.223 27.795 1.00 43.07 ? 184 GLU A C 1 ATOM 1427 O O . GLU A 1 184 ? -31.717 3.337 27.881 1.00 44.65 ? 184 GLU A O 1 ATOM 1428 C CB . GLU A 1 184 ? -34.526 3.196 27.464 1.00 45.05 ? 184 GLU A CB 1 ATOM 1429 C CG . GLU A 1 184 ? -35.855 3.159 26.679 1.00 47.70 ? 184 GLU A CG 1 ATOM 1430 C CD . GLU A 1 184 ? -36.794 4.314 27.040 1.00 54.74 ? 184 GLU A CD 1 ATOM 1431 O OE1 . GLU A 1 184 ? -36.498 5.076 27.995 1.00 56.84 ? 184 GLU A OE1 1 ATOM 1432 O OE2 . GLU A 1 184 ? -37.836 4.448 26.365 1.00 57.83 ? 184 GLU A OE2 1 ATOM 1433 N N . LYS A 1 185 ? -31.661 1.127 28.297 1.00 42.00 ? 185 LYS A N 1 ATOM 1434 C CA . LYS A 1 185 ? -30.304 1.189 28.867 1.00 43.34 ? 185 LYS A CA 1 ATOM 1435 C C . LYS A 1 185 ? -29.274 1.615 27.825 1.00 43.69 ? 185 LYS A C 1 ATOM 1436 O O . LYS A 1 185 ? -29.372 1.284 26.644 1.00 41.83 ? 185 LYS A O 1 ATOM 1437 C CB . LYS A 1 185 ? -29.873 -0.139 29.491 1.00 42.62 ? 185 LYS A CB 1 ATOM 1438 C CG . LYS A 1 185 ? -29.444 -1.197 28.461 1.00 43.38 ? 185 LYS A CG 1 ATOM 1439 C CD . LYS A 1 185 ? -28.849 -2.454 29.110 1.00 48.42 ? 185 LYS A CD 1 ATOM 1440 C CE . LYS A 1 185 ? -29.310 -3.723 28.387 1.00 46.82 ? 185 LYS A CE 1 ATOM 1441 N NZ . LYS A 1 185 ? -28.137 -4.629 28.141 1.00 49.36 ? 185 LYS A NZ 1 ATOM 1442 N N . GLN A 1 186 ? -28.299 2.366 28.305 1.00 40.71 ? 186 GLN A N 1 ATOM 1443 C CA . GLN A 1 186 ? -27.152 2.803 27.531 1.00 40.85 ? 186 GLN A CA 1 ATOM 1444 C C . GLN A 1 186 ? -25.903 2.214 28.188 1.00 41.40 ? 186 GLN A C 1 ATOM 1445 O O . GLN A 1 186 ? -25.704 2.348 29.386 1.00 43.94 ? 186 GLN A O 1 ATOM 1446 C CB . GLN A 1 186 ? -27.077 4.338 27.509 1.00 43.01 ? 186 GLN A CB 1 ATOM 1447 C CG . GLN A 1 186 ? -28.233 5.030 26.776 1.00 43.41 ? 186 GLN A CG 1 ATOM 1448 C CD . GLN A 1 186 ? -28.068 4.982 25.257 1.00 41.52 ? 186 GLN A CD 1 ATOM 1449 O OE1 . GLN A 1 186 ? -26.958 4.801 24.746 1.00 39.71 ? 186 GLN A OE1 1 ATOM 1450 N NE2 . GLN A 1 186 ? -29.176 5.115 24.531 1.00 39.66 ? 186 GLN A NE2 1 ATOM 1451 N N . GLU A 1 187 ? -25.081 1.536 27.400 1.00 40.33 ? 187 GLU A N 1 ATOM 1452 C CA . GLU A 1 187 ? -23.865 0.925 27.894 1.00 41.38 ? 187 GLU A CA 1 ATOM 1453 C C . GLU A 1 187 ? -22.729 1.402 27.022 1.00 40.91 ? 187 GLU A C 1 ATOM 1454 O O . GLU A 1 187 ? -22.831 1.328 25.803 1.00 39.24 ? 187 GLU A O 1 ATOM 1455 C CB . GLU A 1 187 ? -23.959 -0.598 27.764 1.00 41.01 ? 187 GLU A CB 1 ATOM 1456 C CG . GLU A 1 187 ? -25.018 -1.262 28.630 1.00 46.40 ? 187 GLU A CG 1 ATOM 1457 C CD . GLU A 1 187 ? -24.622 -1.310 30.103 1.00 57.10 ? 187 GLU A CD 1 ATOM 1458 O OE1 . GLU A 1 187 ? -23.650 -0.616 30.507 1.00 60.67 ? 187 GLU A OE1 1 ATOM 1459 O OE2 . GLU A 1 187 ? -25.284 -2.057 30.864 1.00 62.52 ? 187 GLU A OE2 1 ATOM 1460 N N . LYS A 1 188 ? -21.644 1.862 27.645 1.00 42.75 ? 188 LYS A N 1 ATOM 1461 C CA . LYS A 1 188 ? -20.564 2.532 26.948 1.00 43.52 ? 188 LYS A CA 1 ATOM 1462 C C . LYS A 1 188 ? -19.607 1.544 26.307 1.00 41.82 ? 188 LYS A C 1 ATOM 1463 O O . LYS A 1 188 ? -19.188 0.613 26.955 1.00 42.33 ? 188 LYS A O 1 ATOM 1464 C CB . LYS A 1 188 ? -19.796 3.466 27.912 1.00 46.98 ? 188 LYS A CB 1 ATOM 1465 C CG . LYS A 1 188 ? -20.624 4.616 28.477 1.00 50.25 ? 188 LYS A CG 1 ATOM 1466 C CD . LYS A 1 188 ? -19.758 5.569 29.362 1.00 58.39 ? 188 LYS A CD 1 ATOM 1467 C CE . LYS A 1 188 ? -20.510 6.858 29.686 1.00 62.47 ? 188 LYS A CE 1 ATOM 1468 N NZ . LYS A 1 188 ? -19.751 7.895 30.505 1.00 70.09 ? 188 LYS A NZ 1 ATOM 1469 N N . PRO A 1 189 ? -19.209 1.766 25.041 1.00 41.26 ? 189 PRO A N 1 ATOM 1470 C CA . PRO A 1 189 ? -18.165 0.904 24.481 1.00 40.57 ? 189 PRO A CA 1 ATOM 1471 C C . PRO A 1 189 ? -16.808 1.186 25.110 1.00 42.93 ? 189 PRO A C 1 ATOM 1472 O O . PRO A 1 189 ? -16.600 2.263 25.661 1.00 45.62 ? 189 PRO A O 1 ATOM 1473 C CB . PRO A 1 189 ? -18.110 1.342 23.026 1.00 40.55 ? 189 PRO A CB 1 ATOM 1474 C CG . PRO A 1 189 ? -18.515 2.727 23.056 1.00 41.93 ? 189 PRO A CG 1 ATOM 1475 C CD . PRO A 1 189 ? -19.537 2.872 24.136 1.00 41.31 ? 189 PRO A CD 1 ATOM 1476 N N . VAL A 1 190 ? -15.920 0.201 25.045 1.00 42.26 ? 190 VAL A N 1 ATOM 1477 C CA . VAL A 1 190 ? -14.504 0.351 25.364 1.00 44.59 ? 190 VAL A CA 1 ATOM 1478 C C . VAL A 1 190 ? -13.814 -0.152 24.109 1.00 43.61 ? 190 VAL A C 1 ATOM 1479 O O . VAL A 1 190 ? -14.237 -1.173 23.558 1.00 41.31 ? 190 VAL A O 1 ATOM 1480 C CB . VAL A 1 190 ? -14.060 -0.552 26.557 1.00 45.52 ? 190 VAL A CB 1 ATOM 1481 C CG1 . VAL A 1 190 ? -12.558 -0.594 26.660 1.00 47.35 ? 190 VAL A CG1 1 ATOM 1482 C CG2 . VAL A 1 190 ? -14.670 -0.062 27.882 1.00 47.45 ? 190 VAL A CG2 1 ATOM 1483 N N . ALA A 1 191 ? -12.793 0.568 23.642 1.00 45.21 ? 191 ALA A N 1 ATOM 1484 C CA . ALA A 1 191 ? -12.083 0.190 22.414 1.00 44.79 ? 191 ALA A CA 1 ATOM 1485 C C . ALA A 1 191 ? -10.629 -0.100 22.671 1.00 47.18 ? 191 ALA A C 1 ATOM 1486 O O . ALA A 1 191 ? -10.057 0.377 23.643 1.00 48.70 ? 191 ALA A O 1 ATOM 1487 C CB . ALA A 1 191 ? -12.212 1.254 21.341 1.00 44.98 ? 191 ALA A CB 1 ATOM 1488 N N . TRP A 1 192 ? -10.046 -0.914 21.798 1.00 47.41 ? 192 TRP A N 1 ATOM 1489 C CA . TRP A 1 192 ? -8.613 -1.133 21.799 1.00 50.67 ? 192 TRP A CA 1 ATOM 1490 C C . TRP A 1 192 ? -8.132 -1.518 20.413 1.00 52.21 ? 192 TRP A C 1 ATOM 1491 O O . TRP A 1 192 ? -8.937 -1.910 19.557 1.00 50.47 ? 192 TRP A O 1 ATOM 1492 C CB . TRP A 1 192 ? -8.210 -2.177 22.830 1.00 50.55 ? 192 TRP A CB 1 ATOM 1493 C CG . TRP A 1 192 ? -8.619 -3.593 22.545 1.00 46.39 ? 192 TRP A CG 1 ATOM 1494 C CD1 . TRP A 1 192 ? -7.819 -4.596 22.056 1.00 46.46 ? 192 TRP A CD1 1 ATOM 1495 C CD2 . TRP A 1 192 ? -9.891 -4.181 22.801 1.00 40.84 ? 192 TRP A CD2 1 ATOM 1496 N NE1 . TRP A 1 192 ? -8.531 -5.779 21.968 1.00 43.86 ? 192 TRP A NE1 1 ATOM 1497 C CE2 . TRP A 1 192 ? -9.807 -5.550 22.419 1.00 40.40 ? 192 TRP A CE2 1 ATOM 1498 C CE3 . TRP A 1 192 ? -11.108 -3.688 23.309 1.00 40.85 ? 192 TRP A CE3 1 ATOM 1499 C CZ2 . TRP A 1 192 ? -10.881 -6.423 22.535 1.00 33.58 ? 192 TRP A CZ2 1 ATOM 1500 C CZ3 . TRP A 1 192 ? -12.191 -4.552 23.402 1.00 37.33 ? 192 TRP A CZ3 1 ATOM 1501 C CH2 . TRP A 1 192 ? -12.061 -5.918 23.024 1.00 35.59 ? 192 TRP A CH2 1 ATOM 1502 N N . LEU A 1 193 ? -6.823 -1.418 20.213 1.00 55.53 ? 193 LEU A N 1 ATOM 1503 C CA . LEU A 1 193 ? -6.221 -1.564 18.899 1.00 58.31 ? 193 LEU A CA 1 ATOM 1504 C C . LEU A 1 193 ? -5.255 -2.733 18.832 1.00 60.21 ? 193 LEU A C 1 ATOM 1505 O O . LEU A 1 193 ? -4.621 -3.090 19.830 1.00 60.99 ? 193 LEU A O 1 ATOM 1506 C CB . LEU A 1 193 ? -5.437 -0.292 18.538 1.00 62.32 ? 193 LEU A CB 1 ATOM 1507 C CG . LEU A 1 193 ? -6.151 1.050 18.651 1.00 61.45 ? 193 LEU A CG 1 ATOM 1508 C CD1 . LEU A 1 193 ? -5.177 2.183 18.349 1.00 67.19 ? 193 LEU A CD1 1 ATOM 1509 C CD2 . LEU A 1 193 ? -7.288 1.076 17.683 1.00 59.19 ? 193 LEU A CD2 1 ATOM 1510 N N . SER A 1 194 ? -5.136 -3.304 17.636 1.00 61.44 ? 194 SER A N 1 ATOM 1511 C CA . SER A 1 194 ? -4.083 -4.260 17.316 1.00 64.63 ? 194 SER A CA 1 ATOM 1512 C C . SER A 1 194 ? -3.794 -4.271 15.804 1.00 67.76 ? 194 SER A C 1 ATOM 1513 O O . SER A 1 194 ? -4.411 -3.521 15.040 1.00 67.71 ? 194 SER A O 1 ATOM 1514 C CB . SER A 1 194 ? -4.473 -5.661 17.812 1.00 62.05 ? 194 SER A CB 1 ATOM 1515 O OG . SER A 1 194 ? -5.764 -5.996 17.361 1.00 57.48 ? 194 SER A OG 1 ATOM 1516 N N . SER A 1 195 ? -2.875 -5.133 15.378 1.00 71.10 ? 195 SER A N 1 ATOM 1517 C CA . SER A 1 195 ? -2.572 -5.295 13.961 1.00 75.28 ? 195 SER A CA 1 ATOM 1518 C C . SER A 1 195 ? -2.223 -6.743 13.646 1.00 77.13 ? 195 SER A C 1 ATOM 1519 O O . SER A 1 195 ? -1.890 -7.503 14.551 1.00 76.54 ? 195 SER A O 1 ATOM 1520 C CB . SER A 1 195 ? -1.427 -4.365 13.548 1.00 80.37 ? 195 SER A CB 1 ATOM 1521 O OG . SER A 1 195 ? -0.291 -4.520 14.391 1.00 82.34 ? 195 SER A OG 1 ATOM 1522 N N . VAL A 1 196 ? -2.300 -7.117 12.369 1.00 80.37 ? 196 VAL A N 1 ATOM 1523 C CA . VAL A 1 196 ? -1.846 -8.440 11.894 1.00 83.35 ? 196 VAL A CA 1 ATOM 1524 C C . VAL A 1 196 ? -1.066 -8.344 10.566 1.00 90.12 ? 196 VAL A C 1 ATOM 1525 O O . VAL A 1 196 ? -1.263 -7.395 9.809 1.00 91.95 ? 196 VAL A O 1 ATOM 1526 C CB . VAL A 1 196 ? -3.009 -9.471 11.786 1.00 79.99 ? 196 VAL A CB 1 ATOM 1527 C CG1 . VAL A 1 196 ? -3.161 -10.240 13.095 1.00 76.59 ? 196 VAL A CG1 1 ATOM 1528 C CG2 . VAL A 1 196 ? -4.328 -8.809 11.377 1.00 76.16 ? 196 VAL A CG2 1 ATOM 1529 N N . PRO A 1 197 ? -0.162 -9.311 10.286 1.00 94.60 ? 197 PRO A N 1 ATOM 1530 C CA . PRO A 1 197 ? 0.666 -9.186 9.068 1.00 101.72 ? 197 PRO A CA 1 ATOM 1531 C C . PRO A 1 197 ? 0.097 -9.905 7.832 1.00 104.26 ? 197 PRO A C 1 ATOM 1532 O O . PRO A 1 197 ? -1.053 -9.665 7.436 1.00 101.77 ? 197 PRO A O 1 ATOM 1533 C CB . PRO A 1 197 ? 1.991 -9.822 9.489 1.00 105.42 ? 197 PRO A CB 1 ATOM 1534 C CG . PRO A 1 197 ? 1.593 -10.853 10.544 1.00 100.80 ? 197 PRO A CG 1 ATOM 1535 C CD . PRO A 1 197 ? 0.247 -10.464 11.112 1.00 93.77 ? 197 PRO A CD 1 ATOM 1536 N N . GLN A 1 205 ? -2.839 -5.801 8.707 1.00 86.40 ? 205 GLN A N 1 ATOM 1537 C CA . GLN A 1 205 ? -3.893 -4.800 8.800 1.00 83.51 ? 205 GLN A CA 1 ATOM 1538 C C . GLN A 1 205 ? -4.257 -4.450 10.246 1.00 77.40 ? 205 GLN A C 1 ATOM 1539 O O . GLN A 1 205 ? -4.092 -5.265 11.151 1.00 75.27 ? 205 GLN A O 1 ATOM 1540 C CB . GLN A 1 205 ? -5.138 -5.217 7.998 1.00 82.46 ? 205 GLN A CB 1 ATOM 1541 C CG . GLN A 1 205 ? -5.569 -6.665 8.146 1.00 81.85 ? 205 GLN A CG 1 ATOM 1542 C CD . GLN A 1 205 ? -7.020 -6.884 7.723 1.00 82.37 ? 205 GLN A CD 1 ATOM 1543 O OE1 . GLN A 1 205 ? -7.486 -6.308 6.732 1.00 85.99 ? 205 GLN A OE1 1 ATOM 1544 N NE2 . GLN A 1 205 ? -7.738 -7.720 8.472 1.00 77.14 ? 205 GLN A NE2 1 ATOM 1545 N N . LEU A 1 206 ? -4.742 -3.228 10.438 1.00 75.26 ? 206 LEU A N 1 ATOM 1546 C CA . LEU A 1 206 ? -5.043 -2.682 11.748 1.00 70.76 ? 206 LEU A CA 1 ATOM 1547 C C . LEU A 1 206 ? -6.495 -2.970 12.131 1.00 65.77 ? 206 LEU A C 1 ATOM 1548 O O . LEU A 1 206 ? -7.377 -3.060 11.270 1.00 65.36 ? 206 LEU A O 1 ATOM 1549 C CB . LEU A 1 206 ? -4.785 -1.174 11.751 1.00 72.79 ? 206 LEU A CB 1 ATOM 1550 C CG . LEU A 1 206 ? -3.358 -0.680 12.004 1.00 77.62 ? 206 LEU A CG 1 ATOM 1551 C CD1 . LEU A 1 206 ? -2.277 -1.373 11.135 1.00 81.25 ? 206 LEU A CD1 1 ATOM 1552 C CD2 . LEU A 1 206 ? -3.301 0.813 11.829 1.00 79.73 ? 206 LEU A CD2 1 ATOM 1553 N N . VAL A 1 207 ? -6.733 -3.112 13.431 1.00 62.03 ? 207 VAL A N 1 ATOM 1554 C CA . VAL A 1 207 ? -8.023 -3.549 13.934 1.00 57.30 ? 207 VAL A CA 1 ATOM 1555 C C . VAL A 1 207 ? -8.425 -2.671 15.101 1.00 55.13 ? 207 VAL A C 1 ATOM 1556 O O . VAL A 1 207 ? -7.673 -2.502 16.070 1.00 55.62 ? 207 VAL A O 1 ATOM 1557 C CB . VAL A 1 207 ? -7.981 -5.008 14.403 1.00 55.42 ? 207 VAL A CB 1 ATOM 1558 C CG1 . VAL A 1 207 ? -9.375 -5.481 14.817 1.00 51.84 ? 207 VAL A CG1 1 ATOM 1559 C CG2 . VAL A 1 207 ? -7.443 -5.906 13.313 1.00 58.28 ? 207 VAL A CG2 1 ATOM 1560 N N . CYS A 1 208 ? -9.601 -2.084 14.995 1.00 53.09 ? 208 CYS A N 1 ATOM 1561 C CA . CYS A 1 208 ? -10.147 -1.364 16.116 1.00 52.03 ? 208 CYS A CA 1 ATOM 1562 C C . CYS A 1 208 ? -11.257 -2.188 16.786 1.00 47.72 ? 208 CYS A C 1 ATOM 1563 O O . CYS A 1 208 ? -12.316 -2.407 16.202 1.00 47.35 ? 208 CYS A O 1 ATOM 1564 C CB . CYS A 1 208 ? -10.682 -0.031 15.657 1.00 53.59 ? 208 CYS A CB 1 ATOM 1565 S SG . CYS A 1 208 ? -11.245 1.003 16.995 1.00 54.83 ? 208 CYS A SG 1 ATOM 1566 N N . HIS A 1 209 ? -11.003 -2.642 18.003 1.00 45.69 ? 209 HIS A N 1 ATOM 1567 C CA . HIS A 1 209 ? -11.934 -3.497 18.697 1.00 42.22 ? 209 HIS A CA 1 ATOM 1568 C C . HIS A 1 209 ? -12.850 -2.636 19.550 1.00 40.64 ? 209 HIS A C 1 ATOM 1569 O O . HIS A 1 209 ? -12.369 -1.837 20.332 1.00 42.54 ? 209 HIS A O 1 ATOM 1570 C CB . HIS A 1 209 ? -11.189 -4.459 19.609 1.00 41.83 ? 209 HIS A CB 1 ATOM 1571 C CG . HIS A 1 209 ? -10.143 -5.288 18.926 1.00 43.82 ? 209 HIS A CG 1 ATOM 1572 N ND1 . HIS A 1 209 ? -10.292 -6.644 18.718 1.00 43.66 ? 209 HIS A ND1 1 ATOM 1573 C CD2 . HIS A 1 209 ? -8.911 -4.971 18.462 1.00 45.70 ? 209 HIS A CD2 1 ATOM 1574 C CE1 . HIS A 1 209 ? -9.204 -7.122 18.139 1.00 47.13 ? 209 HIS A CE1 1 ATOM 1575 N NE2 . HIS A 1 209 ? -8.354 -6.126 17.970 1.00 48.07 ? 209 HIS A NE2 1 ATOM 1576 N N . VAL A 1 210 ? -14.159 -2.834 19.431 1.00 38.23 ? 210 VAL A N 1 ATOM 1577 C CA . VAL A 1 210 ? -15.113 -2.058 20.199 1.00 37.62 ? 210 VAL A CA 1 ATOM 1578 C C . VAL A 1 210 ? -16.078 -3.019 20.884 1.00 35.83 ? 210 VAL A C 1 ATOM 1579 O O . VAL A 1 210 ? -16.780 -3.784 20.212 1.00 35.04 ? 210 VAL A O 1 ATOM 1580 C CB . VAL A 1 210 ? -15.932 -1.115 19.279 1.00 37.69 ? 210 VAL A CB 1 ATOM 1581 C CG1 . VAL A 1 210 ? -16.775 -0.196 20.108 1.00 37.83 ? 210 VAL A CG1 1 ATOM 1582 C CG2 . VAL A 1 210 ? -15.002 -0.303 18.361 1.00 40.50 ? 210 VAL A CG2 1 ATOM 1583 N N . SER A 1 211 ? -16.166 -2.935 22.209 1.00 35.46 ? 211 SER A N 1 ATOM 1584 C CA . SER A 1 211 ? -16.900 -3.935 22.977 1.00 34.60 ? 211 SER A CA 1 ATOM 1585 C C . SER A 1 211 ? -17.594 -3.341 24.212 1.00 34.95 ? 211 SER A C 1 ATOM 1586 O O . SER A 1 211 ? -17.057 -2.424 24.847 1.00 37.54 ? 211 SER A O 1 ATOM 1587 C CB . SER A 1 211 ? -15.926 -5.039 23.402 1.00 34.60 ? 211 SER A CB 1 ATOM 1588 O OG . SER A 1 211 ? -16.599 -6.090 24.034 1.00 34.26 ? 211 SER A OG 1 ATOM 1589 N N . GLY A 1 212 ? -18.781 -3.852 24.540 1.00 33.07 ? 212 GLY A N 1 ATOM 1590 C CA . GLY A 1 212 ? -19.497 -3.422 25.736 1.00 33.32 ? 212 GLY A CA 1 ATOM 1591 C C . GLY A 1 212 ? -20.654 -2.460 25.506 1.00 33.47 ? 212 GLY A C 1 ATOM 1592 O O . GLY A 1 212 ? -21.289 -2.014 26.467 1.00 34.72 ? 212 GLY A O 1 ATOM 1593 N N . PHE A 1 213 ? -20.948 -2.147 24.247 1.00 32.01 ? 213 PHE A N 1 ATOM 1594 C CA . PHE A 1 213 ? -21.929 -1.106 23.968 1.00 32.58 ? 213 PHE A CA 1 ATOM 1595 C C . PHE A 1 213 ? -23.338 -1.633 23.796 1.00 31.30 ? 213 PHE A C 1 ATOM 1596 O O . PHE A 1 213 ? -23.557 -2.745 23.331 1.00 31.32 ? 213 PHE A O 1 ATOM 1597 C CB . PHE A 1 213 ? -21.528 -0.187 22.786 1.00 32.61 ? 213 PHE A CB 1 ATOM 1598 C CG . PHE A 1 213 ? -21.438 -0.896 21.461 1.00 32.46 ? 213 PHE A CG 1 ATOM 1599 C CD1 . PHE A 1 213 ? -20.271 -1.530 21.076 1.00 31.88 ? 213 PHE A CD1 1 ATOM 1600 C CD2 . PHE A 1 213 ? -22.515 -0.909 20.587 1.00 32.83 ? 213 PHE A CD2 1 ATOM 1601 C CE1 . PHE A 1 213 ? -20.177 -2.169 19.853 1.00 28.32 ? 213 PHE A CE1 1 ATOM 1602 C CE2 . PHE A 1 213 ? -22.427 -1.553 19.373 1.00 33.73 ? 213 PHE A CE2 1 ATOM 1603 C CZ . PHE A 1 213 ? -21.232 -2.184 19.014 1.00 31.36 ? 213 PHE A CZ 1 ATOM 1604 N N . TYR A 1 214 ? -24.275 -0.802 24.222 1.00 32.32 ? 214 TYR A N 1 ATOM 1605 C CA . TYR A 1 214 ? -25.688 -0.976 24.017 1.00 32.12 ? 214 TYR A CA 1 ATOM 1606 C C . TYR A 1 214 ? -26.362 0.421 24.032 1.00 33.57 ? 214 TYR A C 1 ATOM 1607 O O . TYR A 1 214 ? -26.022 1.252 24.888 1.00 34.37 ? 214 TYR A O 1 ATOM 1608 C CB . TYR A 1 214 ? -26.257 -1.858 25.114 1.00 32.53 ? 214 TYR A CB 1 ATOM 1609 C CG . TYR A 1 214 ? -27.616 -2.355 24.740 1.00 33.36 ? 214 TYR A CG 1 ATOM 1610 C CD1 . TYR A 1 214 ? -28.741 -1.548 24.935 1.00 35.32 ? 214 TYR A CD1 1 ATOM 1611 C CD2 . TYR A 1 214 ? -27.784 -3.612 24.151 1.00 30.66 ? 214 TYR A CD2 1 ATOM 1612 C CE1 . TYR A 1 214 ? -30.023 -1.967 24.533 1.00 36.15 ? 214 TYR A CE1 1 ATOM 1613 C CE2 . TYR A 1 214 ? -29.045 -4.050 23.760 1.00 32.44 ? 214 TYR A CE2 1 ATOM 1614 C CZ . TYR A 1 214 ? -30.162 -3.217 23.958 1.00 36.70 ? 214 TYR A CZ 1 ATOM 1615 O OH . TYR A 1 214 ? -31.416 -3.628 23.591 1.00 37.63 ? 214 TYR A OH 1 ATOM 1616 N N . PRO A 1 215 ? -27.319 0.681 23.107 1.00 33.13 ? 215 PRO A N 1 ATOM 1617 C CA . PRO A 1 215 ? -27.813 -0.224 22.063 1.00 32.72 ? 215 PRO A CA 1 ATOM 1618 C C . PRO A 1 215 ? -26.881 -0.335 20.858 1.00 32.88 ? 215 PRO A C 1 ATOM 1619 O O . PRO A 1 215 ? -25.813 0.301 20.833 1.00 33.17 ? 215 PRO A O 1 ATOM 1620 C CB . PRO A 1 215 ? -29.191 0.387 21.670 1.00 34.20 ? 215 PRO A CB 1 ATOM 1621 C CG . PRO A 1 215 ? -29.096 1.840 21.992 1.00 34.79 ? 215 PRO A CG 1 ATOM 1622 C CD . PRO A 1 215 ? -28.048 1.965 23.123 1.00 35.37 ? 215 PRO A CD 1 ATOM 1623 N N . LYS A 1 216 ? -27.301 -1.133 19.877 1.00 34.23 ? 216 LYS A N 1 ATOM 1624 C CA . LYS A 1 216 ? -26.523 -1.512 18.680 1.00 35.47 ? 216 LYS A CA 1 ATOM 1625 C C . LYS A 1 216 ? -25.988 -0.368 17.794 1.00 37.52 ? 216 LYS A C 1 ATOM 1626 O O . LYS A 1 216 ? -24.796 -0.390 17.449 1.00 38.50 ? 216 LYS A O 1 ATOM 1627 C CB . LYS A 1 216 ? -27.344 -2.453 17.817 1.00 37.02 ? 216 LYS A CB 1 ATOM 1628 C CG . LYS A 1 216 ? -26.632 -3.692 17.335 1.00 39.02 ? 216 LYS A CG 1 ATOM 1629 C CD . LYS A 1 216 ? -27.572 -4.486 16.410 1.00 42.48 ? 216 LYS A CD 1 ATOM 1630 C CE . LYS A 1 216 ? -26.908 -5.764 15.873 1.00 45.14 ? 216 LYS A CE 1 ATOM 1631 N NZ . LYS A 1 216 ? -27.792 -6.566 14.930 1.00 48.63 ? 216 LYS A NZ 1 ATOM 1632 N N . PRO A 1 217 ? -26.831 0.630 17.416 1.00 38.40 ? 217 PRO A N 1 ATOM 1633 C CA . PRO A 1 217 ? -26.243 1.685 16.564 1.00 40.22 ? 217 PRO A CA 1 ATOM 1634 C C . PRO A 1 217 ? -24.879 2.186 17.057 1.00 40.33 ? 217 PRO A C 1 ATOM 1635 O O . PRO A 1 217 ? -24.719 2.515 18.222 1.00 39.62 ? 217 PRO A O 1 ATOM 1636 C CB . PRO A 1 217 ? -27.311 2.791 16.585 1.00 41.86 ? 217 PRO A CB 1 ATOM 1637 C CG . PRO A 1 217 ? -28.656 1.923 16.637 1.00 40.26 ? 217 PRO A CG 1 ATOM 1638 C CD . PRO A 1 217 ? -28.296 0.798 17.589 1.00 38.62 ? 217 PRO A CD 1 ATOM 1639 N N . VAL A 1 218 ? -23.903 2.175 16.160 1.00 41.49 ? 218 VAL A N 1 ATOM 1640 C CA . VAL A 1 218 ? -22.540 2.538 16.462 1.00 42.20 ? 218 VAL A CA 1 ATOM 1641 C C . VAL A 1 218 ? -21.829 3.039 15.185 1.00 45.23 ? 218 VAL A C 1 ATOM 1642 O O . VAL A 1 218 ? -22.161 2.647 14.065 1.00 45.64 ? 218 VAL A O 1 ATOM 1643 C CB . VAL A 1 218 ? -21.788 1.374 17.167 1.00 40.39 ? 218 VAL A CB 1 ATOM 1644 C CG1 . VAL A 1 218 ? -21.455 0.220 16.214 1.00 41.21 ? 218 VAL A CG1 1 ATOM 1645 C CG2 . VAL A 1 218 ? -20.543 1.849 17.855 1.00 41.50 ? 218 VAL A CG2 1 ATOM 1646 N N . TRP A 1 219 ? -20.850 3.922 15.372 1.00 47.37 ? 219 TRP A N 1 ATOM 1647 C CA . TRP A 1 219 ? -20.058 4.456 14.261 1.00 50.35 ? 219 TRP A CA 1 ATOM 1648 C C . TRP A 1 219 ? -18.563 4.328 14.565 1.00 51.06 ? 219 TRP A C 1 ATOM 1649 O O . TRP A 1 219 ? -18.052 4.919 15.516 1.00 51.07 ? 219 TRP A O 1 ATOM 1650 C CB . TRP A 1 219 ? -20.473 5.890 14.015 1.00 52.61 ? 219 TRP A CB 1 ATOM 1651 C CG . TRP A 1 219 ? -19.909 6.540 12.797 1.00 57.40 ? 219 TRP A CG 1 ATOM 1652 C CD1 . TRP A 1 219 ? -20.494 6.622 11.564 1.00 59.87 ? 219 TRP A CD1 1 ATOM 1653 C CD2 . TRP A 1 219 ? -18.683 7.277 12.711 1.00 59.64 ? 219 TRP A CD2 1 ATOM 1654 N NE1 . TRP A 1 219 ? -19.704 7.343 10.710 1.00 63.33 ? 219 TRP A NE1 1 ATOM 1655 C CE2 . TRP A 1 219 ? -18.582 7.759 11.381 1.00 64.38 ? 219 TRP A CE2 1 ATOM 1656 C CE3 . TRP A 1 219 ? -17.650 7.560 13.622 1.00 58.64 ? 219 TRP A CE3 1 ATOM 1657 C CZ2 . TRP A 1 219 ? -17.482 8.524 10.929 1.00 68.48 ? 219 TRP A CZ2 1 ATOM 1658 C CZ3 . TRP A 1 219 ? -16.549 8.320 13.175 1.00 64.99 ? 219 TRP A CZ3 1 ATOM 1659 C CH2 . TRP A 1 219 ? -16.480 8.797 11.835 1.00 68.52 ? 219 TRP A CH2 1 ATOM 1660 N N . VAL A 1 220 ? -17.877 3.513 13.771 1.00 51.83 ? 220 VAL A N 1 ATOM 1661 C CA . VAL A 1 220 ? -16.461 3.275 13.959 1.00 52.50 ? 220 VAL A CA 1 ATOM 1662 C C . VAL A 1 220 ? -15.728 3.619 12.669 1.00 57.16 ? 220 VAL A C 1 ATOM 1663 O O . VAL A 1 220 ? -16.001 3.026 11.626 1.00 58.56 ? 220 VAL A O 1 ATOM 1664 C CB . VAL A 1 220 ? -16.179 1.804 14.311 1.00 50.32 ? 220 VAL A CB 1 ATOM 1665 C CG1 . VAL A 1 220 ? -14.715 1.631 14.684 1.00 49.91 ? 220 VAL A CG1 1 ATOM 1666 C CG2 . VAL A 1 220 ? -17.069 1.330 15.479 1.00 45.95 ? 220 VAL A CG2 1 ATOM 1667 N N . MET A 1 221 ? -14.814 4.583 12.725 1.00 59.93 ? 221 MET A N 1 ATOM 1668 C CA . MET A 1 221 ? -14.031 4.935 11.541 1.00 65.01 ? 221 MET A CA 1 ATOM 1669 C C . MET A 1 221 ? -12.576 5.132 11.863 1.00 66.76 ? 221 MET A C 1 ATOM 1670 O O . MET A 1 221 ? -12.224 5.703 12.901 1.00 65.75 ? 221 MET A O 1 ATOM 1671 C CB . MET A 1 221 ? -14.555 6.207 10.874 1.00 68.97 ? 221 MET A CB 1 ATOM 1672 C CG . MET A 1 221 ? -15.710 5.977 9.915 1.00 72.09 ? 221 MET A CG 1 ATOM 1673 S SD . MET A 1 221 ? -15.269 5.264 8.320 1.00 80.01 ? 221 MET A SD 1 ATOM 1674 C CE . MET A 1 221 ? -13.740 6.092 7.967 1.00 83.01 ? 221 MET A CE 1 ATOM 1675 N N . TRP A 1 222 ? -11.730 4.679 10.943 1.00 70.11 ? 222 TRP A N 1 ATOM 1676 C CA . TRP A 1 222 ? -10.319 5.023 10.978 1.00 73.31 ? 222 TRP A CA 1 ATOM 1677 C C . TRP A 1 222 ? -10.134 6.423 10.387 1.00 78.53 ? 222 TRP A C 1 ATOM 1678 O O . TRP A 1 222 ? -10.761 6.788 9.380 1.00 81.05 ? 222 TRP A O 1 ATOM 1679 C CB . TRP A 1 222 ? -9.461 3.963 10.268 1.00 75.11 ? 222 TRP A CB 1 ATOM 1680 C CG . TRP A 1 222 ? -9.212 2.713 11.095 1.00 70.48 ? 222 TRP A CG 1 ATOM 1681 C CD1 . TRP A 1 222 ? -9.927 1.551 11.053 1.00 68.41 ? 222 TRP A CD1 1 ATOM 1682 C CD2 . TRP A 1 222 ? -8.171 2.502 12.071 1.00 70.43 ? 222 TRP A CD2 1 ATOM 1683 N NE1 . TRP A 1 222 ? -9.411 0.630 11.949 1.00 64.96 ? 222 TRP A NE1 1 ATOM 1684 C CE2 . TRP A 1 222 ? -8.336 1.188 12.586 1.00 66.86 ? 222 TRP A CE2 1 ATOM 1685 C CE3 . TRP A 1 222 ? -7.125 3.294 12.567 1.00 73.07 ? 222 TRP A CE3 1 ATOM 1686 C CZ2 . TRP A 1 222 ? -7.485 0.651 13.573 1.00 66.10 ? 222 TRP A CZ2 1 ATOM 1687 C CZ3 . TRP A 1 222 ? -6.283 2.758 13.549 1.00 71.56 ? 222 TRP A CZ3 1 ATOM 1688 C CH2 . TRP A 1 222 ? -6.467 1.451 14.036 1.00 69.13 ? 222 TRP A CH2 1 ATOM 1689 N N . MET A 1 223 ? -9.291 7.212 11.046 1.00 80.52 ? 223 MET A N 1 ATOM 1690 C CA . MET A 1 223 ? -9.029 8.601 10.656 1.00 85.34 ? 223 MET A CA 1 ATOM 1691 C C . MET A 1 223 ? -7.542 8.835 10.609 1.00 89.74 ? 223 MET A C 1 ATOM 1692 O O . MET A 1 223 ? -6.822 8.337 11.460 1.00 88.02 ? 223 MET A O 1 ATOM 1693 C CB . MET A 1 223 ? -9.565 9.584 11.708 1.00 84.22 ? 223 MET A CB 1 ATOM 1694 C CG . MET A 1 223 ? -10.927 9.273 12.315 1.00 77.99 ? 223 MET A CG 1 ATOM 1695 S SD . MET A 1 223 ? -12.280 9.818 11.273 1.00 82.41 ? 223 MET A SD 1 ATOM 1696 C CE . MET A 1 223 ? -11.776 11.491 10.799 1.00 84.93 ? 223 MET A CE 1 ATOM 1697 N N . ARG A 1 224 ? -7.077 9.599 9.628 1.00 96.03 ? 224 ARG A N 1 ATOM 1698 C CA . ARG A 1 224 ? -5.812 10.309 9.789 1.00 101.29 ? 224 ARG A CA 1 ATOM 1699 C C . ARG A 1 224 ? -6.206 11.785 9.944 1.00 104.64 ? 224 ARG A C 1 ATOM 1700 O O . ARG A 1 224 ? -6.531 12.477 8.960 1.00 108.66 ? 224 ARG A O 1 ATOM 1701 C CB . ARG A 1 224 ? -4.837 10.060 8.623 1.00 106.94 ? 224 ARG A CB 1 ATOM 1702 C CG . ARG A 1 224 ? -3.542 10.916 8.676 1.00 113.50 ? 224 ARG A CG 1 ATOM 1703 C CD . ARG A 1 224 ? -2.550 10.592 7.545 1.00 118.08 ? 224 ARG A CD 1 ATOM 1704 N NE . ARG A 1 224 ? -1.770 9.374 7.818 1.00 115.66 ? 224 ARG A NE 1 ATOM 1705 C CZ . ARG A 1 224 ? -2.091 8.145 7.401 1.00 111.71 ? 224 ARG A CZ 1 ATOM 1706 N NH1 . ARG A 1 224 ? -3.188 7.940 6.674 1.00 109.65 ? 224 ARG A NH1 1 ATOM 1707 N NH2 . ARG A 1 224 ? -1.310 7.118 7.710 1.00 109.52 ? 224 ARG A NH2 1 ATOM 1708 N N . GLY A 1 225 ? -6.244 12.236 11.199 1.00 102.94 ? 225 GLY A N 1 ATOM 1709 C CA . GLY A 1 225 ? -6.562 13.626 11.531 1.00 106.06 ? 225 GLY A CA 1 ATOM 1710 C C . GLY A 1 225 ? -8.016 14.017 11.349 1.00 103.83 ? 225 GLY A C 1 ATOM 1711 O O . GLY A 1 225 ? -8.866 13.669 12.163 1.00 98.59 ? 225 GLY A O 1 ATOM 1712 N N . ASP A 1 226 ? -8.288 14.756 10.277 1.00 108.64 ? 226 ASP A N 1 ATOM 1713 C CA . ASP A 1 226 ? -9.619 15.286 9.992 1.00 107.93 ? 226 ASP A CA 1 ATOM 1714 C C . ASP A 1 226 ? -10.351 14.349 9.036 1.00 104.85 ? 226 ASP A C 1 ATOM 1715 O O . ASP A 1 226 ? -11.552 14.489 8.816 1.00 102.95 ? 226 ASP A O 1 ATOM 1716 C CB . ASP A 1 226 ? -9.528 16.693 9.335 1.00 115.68 ? 226 ASP A CB 1 ATOM 1717 C CG . ASP A 1 226 ? -8.086 17.232 9.247 1.00 124.01 ? 226 ASP A CG 1 ATOM 1718 O OD1 . ASP A 1 226 ? -7.385 17.293 10.280 1.00 126.18 ? 226 ASP A OD1 1 ATOM 1719 O OD2 . ASP A 1 226 ? -7.645 17.619 8.140 1.00 132.16 ? 226 ASP A OD2 1 ATOM 1720 N N . GLN A 1 227 ? -9.610 13.404 8.462 1.00 104.85 ? 227 GLN A N 1 ATOM 1721 C CA . GLN A 1 227 ? -10.038 12.713 7.246 1.00 105.58 ? 227 GLN A CA 1 ATOM 1722 C C . GLN A 1 227 ? -10.334 11.222 7.456 1.00 99.37 ? 227 GLN A C 1 ATOM 1723 O O . GLN A 1 227 ? -9.482 10.460 7.931 1.00 97.39 ? 227 GLN A O 1 ATOM 1724 C CB . GLN A 1 227 ? -9.008 12.942 6.119 1.00 113.30 ? 227 GLN A CB 1 ATOM 1725 C CG . GLN A 1 227 ? -8.966 14.413 5.583 1.00 121.57 ? 227 GLN A CG 1 ATOM 1726 C CD . GLN A 1 227 ? -7.759 14.723 4.685 1.00 130.82 ? 227 GLN A CD 1 ATOM 1727 O OE1 . GLN A 1 227 ? -7.204 13.835 4.037 1.00 132.92 ? 227 GLN A OE1 1 ATOM 1728 N NE2 . GLN A 1 227 ? -7.357 15.993 4.646 1.00 136.26 ? 227 GLN A NE2 1 ATOM 1729 N N . GLU A 1 228 ? -11.554 10.832 7.091 1.00 96.23 ? 228 GLU A N 1 ATOM 1730 C CA . GLU A 1 228 ? -12.032 9.451 7.180 1.00 90.90 ? 228 GLU A CA 1 ATOM 1731 C C . GLU A 1 228 ? -11.401 8.575 6.094 1.00 93.73 ? 228 GLU A C 1 ATOM 1732 O O . GLU A 1 228 ? -11.277 9.005 4.954 1.00 99.61 ? 228 GLU A O 1 ATOM 1733 C CB . GLU A 1 228 ? -13.563 9.423 7.037 1.00 88.35 ? 228 GLU A CB 1 ATOM 1734 C CG . GLU A 1 228 ? -14.327 10.240 8.089 1.00 85.73 ? 228 GLU A CG 1 ATOM 1735 C CD . GLU A 1 228 ? -15.858 10.274 7.874 1.00 84.81 ? 228 GLU A CD 1 ATOM 1736 O OE1 . GLU A 1 228 ? -16.477 11.287 8.266 1.00 84.44 ? 228 GLU A OE1 1 ATOM 1737 O OE2 . GLU A 1 228 ? -16.440 9.301 7.334 1.00 82.61 ? 228 GLU A OE2 1 ATOM 1738 N N . GLN A 1 229 ? -11.019 7.346 6.437 1.00 89.89 ? 229 GLN A N 1 ATOM 1739 C CA . GLN A 1 229 ? -10.399 6.459 5.451 1.00 93.07 ? 229 GLN A CA 1 ATOM 1740 C C . GLN A 1 229 ? -11.419 5.651 4.658 1.00 92.71 ? 229 GLN A C 1 ATOM 1741 O O . GLN A 1 229 ? -12.194 4.898 5.239 1.00 87.34 ? 229 GLN A O 1 ATOM 1742 C CB . GLN A 1 229 ? -9.391 5.519 6.114 1.00 90.60 ? 229 GLN A CB 1 ATOM 1743 C CG . GLN A 1 229 ? -8.224 6.210 6.787 1.00 91.58 ? 229 GLN A CG 1 ATOM 1744 C CD . GLN A 1 229 ? -7.428 7.066 5.833 1.00 97.95 ? 229 GLN A CD 1 ATOM 1745 O OE1 . GLN A 1 229 ? -7.471 8.291 5.903 1.00 99.85 ? 229 GLN A OE1 1 ATOM 1746 N NE2 . GLN A 1 229 ? -6.708 6.426 4.924 1.00 102.15 ? 229 GLN A NE2 1 ATOM 1747 N N . GLN A 1 230 ? -11.401 5.808 3.333 1.00 99.32 ? 230 GLN A N 1 ATOM 1748 C CA . GLN A 1 230 ? -12.233 5.022 2.411 1.00 100.87 ? 230 GLN A CA 1 ATOM 1749 C C . GLN A 1 230 ? -12.318 3.545 2.808 1.00 96.17 ? 230 GLN A C 1 ATOM 1750 O O . GLN A 1 230 ? -13.415 2.997 2.946 1.00 92.80 ? 230 GLN A O 1 ATOM 1751 C CB . GLN A 1 230 ? -11.693 5.118 0.976 1.00 109.48 ? 230 GLN A CB 1 ATOM 1752 C CG . GLN A 1 230 ? -12.443 6.068 0.047 1.00 115.91 ? 230 GLN A CG 1 ATOM 1753 C CD . GLN A 1 230 ? -11.748 6.232 -1.307 1.00 126.94 ? 230 GLN A CD 1 ATOM 1754 O OE1 . GLN A 1 230 ? -11.334 5.255 -1.938 1.00 130.53 ? 230 GLN A OE1 1 ATOM 1755 N NE2 . GLN A 1 230 ? -11.620 7.475 -1.758 1.00 132.69 ? 230 GLN A NE2 1 ATOM 1756 N N . GLY A 1 231 ? -11.154 2.930 3.021 1.00 96.39 ? 231 GLY A N 1 ATOM 1757 C CA . GLY A 1 231 ? -11.014 1.477 3.107 1.00 94.19 ? 231 GLY A CA 1 ATOM 1758 C C . GLY A 1 231 ? -11.565 0.749 4.318 1.00 86.79 ? 231 GLY A C 1 ATOM 1759 O O . GLY A 1 231 ? -11.705 -0.475 4.280 1.00 85.43 ? 231 GLY A O 1 ATOM 1760 N N . THR A 1 232 ? -11.874 1.485 5.387 1.00 82.53 ? 232 THR A N 1 ATOM 1761 C CA . THR A 1 232 ? -12.403 0.893 6.622 1.00 76.11 ? 232 THR A CA 1 ATOM 1762 C C . THR A 1 232 ? -13.459 -0.198 6.351 1.00 74.71 ? 232 THR A C 1 ATOM 1763 O O . THR A 1 232 ? -14.398 0.020 5.580 1.00 76.37 ? 232 THR A O 1 ATOM 1764 C CB . THR A 1 232 ? -12.975 1.976 7.575 1.00 72.86 ? 232 THR A CB 1 ATOM 1765 O OG1 . THR A 1 232 ? -11.941 2.900 7.921 1.00 74.19 ? 232 THR A OG1 1 ATOM 1766 C CG2 . THR A 1 232 ? -13.516 1.361 8.844 1.00 66.00 ? 232 THR A CG2 1 ATOM 1767 N N . HIS A 1 233 ? -13.265 -1.367 6.968 1.00 71.74 ? 233 HIS A N 1 ATOM 1768 C CA . HIS A 1 233 ? -14.161 -2.512 6.810 1.00 70.96 ? 233 HIS A CA 1 ATOM 1769 C C . HIS A 1 233 ? -14.750 -2.903 8.169 1.00 64.58 ? 233 HIS A C 1 ATOM 1770 O O . HIS A 1 233 ? -14.075 -3.505 9.012 1.00 61.81 ? 233 HIS A O 1 ATOM 1771 C CB . HIS A 1 233 ? -13.424 -3.710 6.174 1.00 74.26 ? 233 HIS A CB 1 ATOM 1772 C CG . HIS A 1 233 ? -14.331 -4.807 5.681 1.00 77.41 ? 233 HIS A CG 1 ATOM 1773 N ND1 . HIS A 1 233 ? -15.288 -5.414 6.477 1.00 75.16 ? 233 HIS A ND1 1 ATOM 1774 C CD2 . HIS A 1 233 ? -14.408 -5.422 4.474 1.00 83.74 ? 233 HIS A CD2 1 ATOM 1775 C CE1 . HIS A 1 233 ? -15.924 -6.337 5.776 1.00 77.23 ? 233 HIS A CE1 1 ATOM 1776 N NE2 . HIS A 1 233 ? -15.407 -6.364 4.559 1.00 83.70 ? 233 HIS A NE2 1 ATOM 1777 N N . ARG A 1 234 ? -16.014 -2.541 8.360 1.00 62.81 ? 234 ARG A N 1 ATOM 1778 C CA . ARG A 1 234 ? -16.807 -2.908 9.542 1.00 58.16 ? 234 ARG A CA 1 ATOM 1779 C C . ARG A 1 234 ? -17.123 -4.425 9.527 1.00 56.25 ? 234 ARG A C 1 ATOM 1780 O O . ARG A 1 234 ? -17.656 -4.960 8.542 1.00 59.05 ? 234 ARG A O 1 ATOM 1781 C CB . ARG A 1 234 ? -18.079 -2.033 9.551 1.00 58.25 ? 234 ARG A CB 1 ATOM 1782 C CG . ARG A 1 234 ? -19.255 -2.528 10.416 1.00 58.91 ? 234 ARG A CG 1 ATOM 1783 C CD . ARG A 1 234 ? -20.595 -1.877 10.037 1.00 65.72 ? 234 ARG A CD 1 ATOM 1784 N NE . ARG A 1 234 ? -21.490 -2.740 9.246 1.00 72.63 ? 234 ARG A NE 1 ATOM 1785 C CZ . ARG A 1 234 ? -22.203 -3.770 9.730 1.00 72.40 ? 234 ARG A CZ 1 ATOM 1786 N NH1 . ARG A 1 234 ? -22.129 -4.108 11.016 1.00 67.76 ? 234 ARG A NH1 1 ATOM 1787 N NH2 . ARG A 1 234 ? -22.990 -4.480 8.919 1.00 74.59 ? 234 ARG A NH2 1 ATOM 1788 N N . GLY A 1 235 ? -16.773 -5.123 10.602 1.00 52.31 ? 235 GLY A N 1 ATOM 1789 C CA . GLY A 1 235 ? -17.141 -6.544 10.755 1.00 50.17 ? 235 GLY A CA 1 ATOM 1790 C C . GLY A 1 235 ? -18.614 -6.710 11.127 1.00 47.57 ? 235 GLY A C 1 ATOM 1791 O O . GLY A 1 235 ? -19.378 -5.739 11.142 1.00 46.16 ? 235 GLY A O 1 ATOM 1792 N N . ASP A 1 236 ? -19.027 -7.940 11.419 1.00 46.59 ? 236 ASP A N 1 ATOM 1793 C CA . ASP A 1 236 ? -20.408 -8.190 11.843 1.00 45.10 ? 236 ASP A CA 1 ATOM 1794 C C . ASP A 1 236 ? -20.549 -7.823 13.320 1.00 40.51 ? 236 ASP A C 1 ATOM 1795 O O . ASP A 1 236 ? -19.572 -7.839 14.054 1.00 38.82 ? 236 ASP A O 1 ATOM 1796 C CB . ASP A 1 236 ? -20.778 -9.664 11.624 1.00 47.16 ? 236 ASP A CB 1 ATOM 1797 C CG . ASP A 1 236 ? -20.801 -10.071 10.146 1.00 53.21 ? 236 ASP A CG 1 ATOM 1798 O OD1 . ASP A 1 236 ? -20.776 -9.198 9.261 1.00 58.15 ? 236 ASP A OD1 1 ATOM 1799 O OD2 . ASP A 1 236 ? -20.860 -11.283 9.855 1.00 57.62 ? 236 ASP A OD2 1 ATOM 1800 N N . PHE A 1 237 ? -21.753 -7.482 13.752 1.00 38.69 ? 237 PHE A N 1 ATOM 1801 C CA . PHE A 1 237 ? -22.015 -7.306 15.178 1.00 35.80 ? 237 PHE A CA 1 ATOM 1802 C C . PHE A 1 237 ? -22.022 -8.679 15.872 1.00 34.66 ? 237 PHE A C 1 ATOM 1803 O O . PHE A 1 237 ? -22.745 -9.602 15.443 1.00 36.13 ? 237 PHE A O 1 ATOM 1804 C CB . PHE A 1 237 ? -23.368 -6.656 15.409 1.00 35.52 ? 237 PHE A CB 1 ATOM 1805 C CG . PHE A 1 237 ? -23.405 -5.182 15.119 1.00 38.86 ? 237 PHE A CG 1 ATOM 1806 C CD1 . PHE A 1 237 ? -22.994 -4.265 16.072 1.00 38.42 ? 237 PHE A CD1 1 ATOM 1807 C CD2 . PHE A 1 237 ? -23.918 -4.709 13.913 1.00 43.87 ? 237 PHE A CD2 1 ATOM 1808 C CE1 . PHE A 1 237 ? -23.051 -2.914 15.824 1.00 41.01 ? 237 PHE A CE1 1 ATOM 1809 C CE2 . PHE A 1 237 ? -23.985 -3.340 13.653 1.00 46.63 ? 237 PHE A CE2 1 ATOM 1810 C CZ . PHE A 1 237 ? -23.551 -2.441 14.612 1.00 43.66 ? 237 PHE A CZ 1 ATOM 1811 N N . LEU A 1 238 ? -21.235 -8.800 16.935 1.00 31.58 ? 238 LEU A N 1 ATOM 1812 C CA . LEU A 1 238 ? -21.089 -10.062 17.650 1.00 31.67 ? 238 LEU A CA 1 ATOM 1813 C C . LEU A 1 238 ? -21.585 -9.830 19.065 1.00 29.68 ? 238 LEU A C 1 ATOM 1814 O O . LEU A 1 238 ? -21.362 -8.767 19.624 1.00 29.22 ? 238 LEU A O 1 ATOM 1815 C CB . LEU A 1 238 ? -19.629 -10.547 17.638 1.00 32.19 ? 238 LEU A CB 1 ATOM 1816 C CG . LEU A 1 238 ? -18.894 -10.598 16.273 1.00 34.21 ? 238 LEU A CG 1 ATOM 1817 C CD1 . LEU A 1 238 ? -17.520 -11.196 16.417 1.00 36.38 ? 238 LEU A CD1 1 ATOM 1818 C CD2 . LEU A 1 238 ? -19.625 -11.312 15.163 1.00 34.48 ? 238 LEU A CD2 1 ATOM 1819 N N . PRO A 1 239 ? -22.343 -10.785 19.616 1.00 29.91 ? 239 PRO A N 1 ATOM 1820 C CA . PRO A 1 239 ? -22.869 -10.545 20.957 1.00 28.75 ? 239 PRO A CA 1 ATOM 1821 C C . PRO A 1 239 ? -21.879 -10.899 22.076 1.00 29.67 ? 239 PRO A C 1 ATOM 1822 O O . PRO A 1 239 ? -21.043 -11.824 21.936 1.00 30.25 ? 239 PRO A O 1 ATOM 1823 C CB . PRO A 1 239 ? -24.088 -11.463 21.024 1.00 28.87 ? 239 PRO A CB 1 ATOM 1824 C CG . PRO A 1 239 ? -23.685 -12.633 20.103 1.00 31.98 ? 239 PRO A CG 1 ATOM 1825 C CD . PRO A 1 239 ? -22.932 -11.985 18.975 1.00 31.25 ? 239 PRO A CD 1 ATOM 1826 N N . ASN A 1 240 ? -22.002 -10.164 23.179 1.00 29.66 ? 240 ASN A N 1 ATOM 1827 C CA . ASN A 1 240 ? -21.394 -10.528 24.451 1.00 31.34 ? 240 ASN A CA 1 ATOM 1828 C C . ASN A 1 240 ? -22.409 -11.233 25.348 1.00 32.97 ? 240 ASN A C 1 ATOM 1829 O O . ASN A 1 240 ? -23.612 -11.116 25.124 1.00 32.55 ? 240 ASN A O 1 ATOM 1830 C CB . ASN A 1 240 ? -20.827 -9.285 25.117 1.00 31.45 ? 240 ASN A CB 1 ATOM 1831 C CG . ASN A 1 240 ? -19.599 -8.772 24.404 1.00 32.88 ? 240 ASN A CG 1 ATOM 1832 O OD1 . ASN A 1 240 ? -18.733 -9.559 24.036 1.00 36.37 ? 240 ASN A OD1 1 ATOM 1833 N ND2 . ASN A 1 240 ? -19.502 -7.464 24.218 1.00 33.02 ? 240 ASN A ND2 1 ATOM 1834 N N . ALA A 1 241 ? -21.936 -11.975 26.353 1.00 34.09 ? 241 ALA A N 1 ATOM 1835 C CA . ALA A 1 241 ? -22.839 -12.727 27.197 1.00 36.30 ? 241 ALA A CA 1 ATOM 1836 C C . ALA A 1 241 ? -23.728 -11.890 28.103 1.00 37.21 ? 241 ALA A C 1 ATOM 1837 O O . ALA A 1 241 ? -24.748 -12.380 28.563 1.00 39.58 ? 241 ALA A O 1 ATOM 1838 C CB . ALA A 1 241 ? -22.084 -13.794 28.019 1.00 38.35 ? 241 ALA A CB 1 ATOM 1839 N N . ASP A 1 242 ? -23.354 -10.643 28.355 1.00 37.49 ? 242 ASP A N 1 ATOM 1840 C CA . ASP A 1 242 ? -24.102 -9.745 29.235 1.00 39.70 ? 242 ASP A CA 1 ATOM 1841 C C . ASP A 1 242 ? -25.044 -8.843 28.469 1.00 38.35 ? 242 ASP A C 1 ATOM 1842 O O . ASP A 1 242 ? -25.422 -7.809 28.971 1.00 40.21 ? 242 ASP A O 1 ATOM 1843 C CB . ASP A 1 242 ? -23.128 -8.867 30.041 1.00 41.04 ? 242 ASP A CB 1 ATOM 1844 C CG . ASP A 1 242 ? -22.249 -7.989 29.143 1.00 42.50 ? 242 ASP A CG 1 ATOM 1845 O OD1 . ASP A 1 242 ? -22.161 -8.274 27.930 1.00 43.68 ? 242 ASP A OD1 1 ATOM 1846 O OD2 . ASP A 1 242 ? -21.646 -7.011 29.634 1.00 45.60 ? 242 ASP A OD2 1 ATOM 1847 N N . GLU A 1 243 ? -25.391 -9.205 27.238 1.00 37.00 ? 243 GLU A N 1 ATOM 1848 C CA . GLU A 1 243 ? -26.330 -8.430 26.411 1.00 36.01 ? 243 GLU A CA 1 ATOM 1849 C C . GLU A 1 243 ? -25.798 -7.035 26.025 1.00 34.70 ? 243 GLU A C 1 ATOM 1850 O O . GLU A 1 243 ? -26.497 -6.028 26.097 1.00 36.23 ? 243 GLU A O 1 ATOM 1851 C CB . GLU A 1 243 ? -27.764 -8.431 27.015 1.00 37.53 ? 243 GLU A CB 1 ATOM 1852 C CG . GLU A 1 243 ? -28.386 -9.867 27.046 1.00 41.39 ? 243 GLU A CG 1 ATOM 1853 C CD . GLU A 1 243 ? -29.918 -9.935 27.167 1.00 46.15 ? 243 GLU A CD 1 ATOM 1854 O OE1 . GLU A 1 243 ? -30.539 -10.832 26.494 1.00 43.19 ? 243 GLU A OE1 1 ATOM 1855 O OE2 . GLU A 1 243 ? -30.477 -9.114 27.943 1.00 46.51 ? 243 GLU A OE2 1 ATOM 1856 N N . THR A 1 244 ? -24.536 -6.990 25.647 1.00 32.81 ? 244 THR A N 1 ATOM 1857 C CA . THR A 1 244 ? -23.970 -5.813 25.045 1.00 31.79 ? 244 THR A CA 1 ATOM 1858 C C . THR A 1 244 ? -23.434 -6.331 23.726 1.00 30.90 ? 244 THR A C 1 ATOM 1859 O O . THR A 1 244 ? -23.487 -7.531 23.443 1.00 28.34 ? 244 THR A O 1 ATOM 1860 C CB . THR A 1 244 ? -22.819 -5.205 25.863 1.00 32.64 ? 244 THR A CB 1 ATOM 1861 O OG1 . THR A 1 244 ? -21.791 -6.195 26.055 1.00 31.74 ? 244 THR A OG1 1 ATOM 1862 C CG2 . THR A 1 244 ? -23.311 -4.678 27.225 1.00 33.27 ? 244 THR A CG2 1 ATOM 1863 N N . TRP A 1 245 ? -22.931 -5.411 22.916 1.00 31.13 ? 245 TRP A N 1 ATOM 1864 C CA . TRP A 1 245 ? -22.428 -5.794 21.611 1.00 32.14 ? 245 TRP A CA 1 ATOM 1865 C C . TRP A 1 245 ? -20.931 -5.624 21.453 1.00 32.68 ? 245 TRP A C 1 ATOM 1866 O O . TRP A 1 245 ? -20.295 -4.889 22.214 1.00 33.93 ? 245 TRP A O 1 ATOM 1867 C CB . TRP A 1 245 ? -23.180 -5.054 20.505 1.00 32.08 ? 245 TRP A CB 1 ATOM 1868 C CG . TRP A 1 245 ? -24.611 -5.466 20.395 1.00 31.24 ? 245 TRP A CG 1 ATOM 1869 C CD1 . TRP A 1 245 ? -25.679 -4.817 20.921 1.00 31.36 ? 245 TRP A CD1 1 ATOM 1870 C CD2 . TRP A 1 245 ? -25.130 -6.605 19.692 1.00 33.14 ? 245 TRP A CD2 1 ATOM 1871 N NE1 . TRP A 1 245 ? -26.839 -5.465 20.591 1.00 33.64 ? 245 TRP A NE1 1 ATOM 1872 C CE2 . TRP A 1 245 ? -26.534 -6.575 19.841 1.00 34.86 ? 245 TRP A CE2 1 ATOM 1873 C CE3 . TRP A 1 245 ? -24.545 -7.651 18.956 1.00 33.38 ? 245 TRP A CE3 1 ATOM 1874 C CZ2 . TRP A 1 245 ? -27.378 -7.565 19.284 1.00 34.60 ? 245 TRP A CZ2 1 ATOM 1875 C CZ3 . TRP A 1 245 ? -25.364 -8.624 18.416 1.00 35.67 ? 245 TRP A CZ3 1 ATOM 1876 C CH2 . TRP A 1 245 ? -26.781 -8.575 18.584 1.00 36.23 ? 245 TRP A CH2 1 ATOM 1877 N N . TYR A 1 246 ? -20.397 -6.321 20.450 1.00 33.36 ? 246 TYR A N 1 ATOM 1878 C CA . TYR A 1 246 ? -18.988 -6.281 20.083 1.00 33.94 ? 246 TYR A CA 1 ATOM 1879 C C . TYR A 1 246 ? -18.908 -6.057 18.569 1.00 35.06 ? 246 TYR A C 1 ATOM 1880 O O . TYR A 1 246 ? -19.676 -6.658 17.826 1.00 34.09 ? 246 TYR A O 1 ATOM 1881 C CB . TYR A 1 246 ? -18.319 -7.609 20.446 1.00 33.60 ? 246 TYR A CB 1 ATOM 1882 C CG . TYR A 1 246 ? -16.879 -7.716 19.986 1.00 36.87 ? 246 TYR A CG 1 ATOM 1883 C CD1 . TYR A 1 246 ? -15.828 -7.449 20.868 1.00 39.24 ? 246 TYR A CD1 1 ATOM 1884 C CD2 . TYR A 1 246 ? -16.562 -8.071 18.663 1.00 37.84 ? 246 TYR A CD2 1 ATOM 1885 C CE1 . TYR A 1 246 ? -14.517 -7.547 20.455 1.00 42.56 ? 246 TYR A CE1 1 ATOM 1886 C CE2 . TYR A 1 246 ? -15.269 -8.166 18.244 1.00 40.46 ? 246 TYR A CE2 1 ATOM 1887 C CZ . TYR A 1 246 ? -14.246 -7.907 19.145 1.00 43.62 ? 246 TYR A CZ 1 ATOM 1888 O OH . TYR A 1 246 ? -12.946 -8.011 18.743 1.00 49.05 ? 246 TYR A OH 1 ATOM 1889 N N . LEU A 1 247 ? -17.973 -5.208 18.121 1.00 36.48 ? 247 LEU A N 1 ATOM 1890 C CA . LEU A 1 247 ? -17.746 -4.981 16.685 1.00 39.43 ? 247 LEU A CA 1 ATOM 1891 C C . LEU A 1 247 ? -16.290 -4.630 16.417 1.00 41.50 ? 247 LEU A C 1 ATOM 1892 O O . LEU A 1 247 ? -15.671 -3.914 17.215 1.00 42.75 ? 247 LEU A O 1 ATOM 1893 C CB . LEU A 1 247 ? -18.668 -3.862 16.163 1.00 39.74 ? 247 LEU A CB 1 ATOM 1894 C CG . LEU A 1 247 ? -18.516 -3.345 14.719 1.00 44.62 ? 247 LEU A CG 1 ATOM 1895 C CD1 . LEU A 1 247 ? -19.120 -4.332 13.740 1.00 47.02 ? 247 LEU A CD1 1 ATOM 1896 C CD2 . LEU A 1 247 ? -19.163 -1.974 14.501 1.00 45.17 ? 247 LEU A CD2 1 ATOM 1897 N N . GLN A 1 248 ? -15.738 -5.119 15.307 1.00 43.67 ? 248 GLN A N 1 ATOM 1898 C CA . GLN A 1 248 ? -14.424 -4.639 14.844 1.00 46.02 ? 248 GLN A CA 1 ATOM 1899 C C . GLN A 1 248 ? -14.447 -3.950 13.467 1.00 48.95 ? 248 GLN A C 1 ATOM 1900 O O . GLN A 1 248 ? -15.251 -4.296 12.599 1.00 50.04 ? 248 GLN A O 1 ATOM 1901 C CB . GLN A 1 248 ? -13.337 -5.723 14.948 1.00 47.62 ? 248 GLN A CB 1 ATOM 1902 C CG . GLN A 1 248 ? -13.418 -6.888 14.010 1.00 50.24 ? 248 GLN A CG 1 ATOM 1903 C CD . GLN A 1 248 ? -12.400 -7.991 14.356 1.00 54.44 ? 248 GLN A CD 1 ATOM 1904 O OE1 . GLN A 1 248 ? -11.512 -8.273 13.563 1.00 60.08 ? 248 GLN A OE1 1 ATOM 1905 N NE2 . GLN A 1 248 ? -12.537 -8.618 15.530 1.00 52.62 ? 248 GLN A NE2 1 ATOM 1906 N N . ALA A 1 249 ? -13.602 -2.932 13.306 1.00 50.20 ? 249 ALA A N 1 ATOM 1907 C CA . ALA A 1 249 ? -13.399 -2.281 12.013 1.00 53.51 ? 249 ALA A CA 1 ATOM 1908 C C . ALA A 1 249 ? -11.940 -2.413 11.618 1.00 56.22 ? 249 ALA A C 1 ATOM 1909 O O . ALA A 1 249 ? -11.047 -2.041 12.380 1.00 56.17 ? 249 ALA A O 1 ATOM 1910 C CB . ALA A 1 249 ? -13.791 -0.819 12.075 1.00 53.87 ? 249 ALA A CB 1 ATOM 1911 N N . THR A 1 250 ? -11.700 -2.957 10.431 1.00 59.33 ? 250 THR A N 1 ATOM 1912 C CA . THR A 1 250 ? -10.331 -3.189 9.954 1.00 62.80 ? 250 THR A CA 1 ATOM 1913 C C . THR A 1 250 ? -9.915 -2.174 8.877 1.00 67.47 ? 250 THR A C 1 ATOM 1914 O O . THR A 1 250 ? -10.758 -1.638 8.164 1.00 68.84 ? 250 THR A O 1 ATOM 1915 C CB . THR A 1 250 ? -10.149 -4.642 9.439 1.00 64.29 ? 250 THR A CB 1 ATOM 1916 O OG1 . THR A 1 250 ? -11.035 -4.870 8.338 1.00 66.46 ? 250 THR A OG1 1 ATOM 1917 C CG2 . THR A 1 250 ? -10.456 -5.666 10.546 1.00 58.97 ? 250 THR A CG2 1 ATOM 1918 N N . LEU A 1 251 ? -8.617 -1.892 8.786 1.00 70.36 ? 251 LEU A N 1 ATOM 1919 C CA . LEU A 1 251 ? -8.071 -1.077 7.699 1.00 75.69 ? 251 LEU A CA 1 ATOM 1920 C C . LEU A 1 251 ? -6.732 -1.642 7.254 1.00 80.35 ? 251 LEU A C 1 ATOM 1921 O O . LEU A 1 251 ? -5.806 -1.762 8.057 1.00 79.15 ? 251 LEU A O 1 ATOM 1922 C CB . LEU A 1 251 ? -7.896 0.396 8.108 1.00 76.12 ? 251 LEU A CB 1 ATOM 1923 C CG . LEU A 1 251 ? -7.205 1.334 7.092 1.00 81.66 ? 251 LEU A CG 1 ATOM 1924 C CD1 . LEU A 1 251 ? -7.987 1.435 5.787 1.00 83.97 ? 251 LEU A CD1 1 ATOM 1925 C CD2 . LEU A 1 251 ? -6.958 2.726 7.664 1.00 80.19 ? 251 LEU A CD2 1 ATOM 1926 N N . ASP A 1 252 ? -6.636 -1.986 5.974 1.00 85.58 ? 252 ASP A N 1 ATOM 1927 C CA . ASP A 1 252 ? -5.376 -2.416 5.414 1.00 91.54 ? 252 ASP A CA 1 ATOM 1928 C C . ASP A 1 252 ? -4.528 -1.191 5.076 1.00 96.84 ? 252 ASP A C 1 ATOM 1929 O O . ASP A 1 252 ? -5.025 -0.232 4.482 1.00 99.10 ? 252 ASP A O 1 ATOM 1930 C CB . ASP A 1 252 ? -5.595 -3.306 4.184 1.00 95.65 ? 252 ASP A CB 1 ATOM 1931 C CG . ASP A 1 252 ? -4.370 -4.178 3.861 1.00 101.31 ? 252 ASP A CG 1 ATOM 1932 O OD1 . ASP A 1 252 ? -3.953 -4.221 2.679 1.00 107.58 ? 252 ASP A OD1 1 ATOM 1933 O OD2 . ASP A 1 252 ? -3.817 -4.819 4.792 1.00 99.73 ? 252 ASP A OD2 1 ATOM 1934 N N . VAL A 1 253 ? -3.259 -1.224 5.482 1.00 99.55 ? 253 VAL A N 1 ATOM 1935 C CA . VAL A 1 253 ? -2.267 -0.196 5.111 1.00 106.10 ? 253 VAL A CA 1 ATOM 1936 C C . VAL A 1 253 ? -0.911 -0.815 4.772 1.00 111.72 ? 253 VAL A C 1 ATOM 1937 O O . VAL A 1 253 ? -0.583 -1.892 5.259 1.00 109.88 ? 253 VAL A O 1 ATOM 1938 C CB . VAL A 1 253 ? -2.066 0.868 6.235 1.00 103.70 ? 253 VAL A CB 1 ATOM 1939 C CG1 . VAL A 1 253 ? -3.248 1.835 6.293 1.00 101.42 ? 253 VAL A CG1 1 ATOM 1940 C CG2 . VAL A 1 253 ? -1.840 0.206 7.594 1.00 98.32 ? 253 VAL A CG2 1 ATOM 1941 N N . GLU A 1 254 ? -0.126 -0.138 3.938 1.00 119.49 ? 254 GLU A N 1 ATOM 1942 C CA . GLU A 1 254 ? 1.276 -0.509 3.752 1.00 125.51 ? 254 GLU A CA 1 ATOM 1943 C C . GLU A 1 254 ? 2.016 -0.314 5.080 1.00 123.01 ? 254 GLU A C 1 ATOM 1944 O O . GLU A 1 254 ? 1.703 0.611 5.840 1.00 119.92 ? 254 GLU A O 1 ATOM 1945 C CB . GLU A 1 254 ? 1.931 0.322 2.636 1.00 134.37 ? 254 GLU A CB 1 ATOM 1946 N N . ALA A 1 255 ? 2.980 -1.190 5.366 1.00 124.74 ? 255 ALA A N 1 ATOM 1947 C CA . ALA A 1 255 ? 3.747 -1.096 6.610 1.00 123.07 ? 255 ALA A CA 1 ATOM 1948 C C . ALA A 1 255 ? 4.613 0.170 6.627 1.00 128.56 ? 255 ALA A C 1 ATOM 1949 O O . ALA A 1 255 ? 5.220 0.533 5.620 1.00 135.55 ? 255 ALA A O 1 ATOM 1950 C CB . ALA A 1 255 ? 4.582 -2.353 6.832 1.00 124.29 ? 255 ALA A CB 1 ATOM 1951 N N . GLY A 1 256 ? 4.634 0.845 7.773 1.00 125.69 ? 256 GLY A N 1 ATOM 1952 C CA . GLY A 1 256 ? 5.313 2.131 7.912 1.00 130.86 ? 256 GLY A CA 1 ATOM 1953 C C . GLY A 1 256 ? 4.338 3.295 7.988 1.00 128.67 ? 256 GLY A C 1 ATOM 1954 O O . GLY A 1 256 ? 4.679 4.370 8.490 1.00 130.98 ? 256 GLY A O 1 ATOM 1955 N N . GLU A 1 257 ? 3.119 3.083 7.490 1.00 124.62 ? 257 GLU A N 1 ATOM 1956 C CA . GLU A 1 257 ? 2.115 4.149 7.432 1.00 122.83 ? 257 GLU A CA 1 ATOM 1957 C C . GLU A 1 257 ? 1.150 4.134 8.613 1.00 114.65 ? 257 GLU A C 1 ATOM 1958 O O . GLU A 1 257 ? 0.159 4.861 8.617 1.00 111.96 ? 257 GLU A O 1 ATOM 1959 C CB . GLU A 1 257 ? 1.348 4.103 6.108 1.00 124.49 ? 257 GLU A CB 1 ATOM 1960 C CG . GLU A 1 257 ? 2.099 4.753 4.945 1.00 134.34 ? 257 GLU A CG 1 ATOM 1961 C CD . GLU A 1 257 ? 1.410 4.543 3.608 1.00 137.22 ? 257 GLU A CD 1 ATOM 1962 O OE1 . GLU A 1 257 ? 2.048 4.807 2.566 1.00 144.53 ? 257 GLU A OE1 1 ATOM 1963 O OE2 . GLU A 1 257 ? 0.235 4.107 3.602 1.00 131.59 ? 257 GLU A OE2 1 ATOM 1964 N N . GLU A 1 258 ? 1.463 3.316 9.616 1.00 111.35 ? 258 GLU A N 1 ATOM 1965 C CA . GLU A 1 258 ? 0.658 3.216 10.830 1.00 104.87 ? 258 GLU A CA 1 ATOM 1966 C C . GLU A 1 258 ? 0.548 4.553 11.559 1.00 105.27 ? 258 GLU A C 1 ATOM 1967 O O . GLU A 1 258 ? -0.548 4.972 11.960 1.00 101.22 ? 258 GLU A O 1 ATOM 1968 C CB . GLU A 1 258 ? 1.239 2.168 11.786 1.00 102.87 ? 258 GLU A CB 1 ATOM 1969 C CG . GLU A 1 258 ? 1.180 0.729 11.294 1.00 102.60 ? 258 GLU A CG 1 ATOM 1970 C CD . GLU A 1 258 ? 2.515 0.227 10.768 1.00 110.93 ? 258 GLU A CD 1 ATOM 1971 O OE1 . GLU A 1 258 ? 3.444 1.048 10.558 1.00 116.39 ? 258 GLU A OE1 1 ATOM 1972 O OE2 . GLU A 1 258 ? 2.630 -1.004 10.574 1.00 111.41 ? 258 GLU A OE2 1 ATOM 1973 N N . ALA A 1 259 ? 1.692 5.208 11.721 1.00 110.85 ? 259 ALA A N 1 ATOM 1974 C CA . ALA A 1 259 ? 1.806 6.439 12.493 1.00 112.56 ? 259 ALA A CA 1 ATOM 1975 C C . ALA A 1 259 ? 0.805 7.520 12.071 1.00 112.05 ? 259 ALA A C 1 ATOM 1976 O O . ALA A 1 259 ? 0.741 7.911 10.893 1.00 115.84 ? 259 ALA A O 1 ATOM 1977 C CB . ALA A 1 259 ? 3.256 6.977 12.419 1.00 120.27 ? 259 ALA A CB 1 ATOM 1978 N N . GLY A 1 260 ? 0.024 7.997 13.041 1.00 107.94 ? 260 GLY A N 1 ATOM 1979 C CA . GLY A 1 260 ? -0.864 9.140 12.811 1.00 107.91 ? 260 GLY A CA 1 ATOM 1980 C C . GLY A 1 260 ? -2.274 8.735 12.430 1.00 101.60 ? 260 GLY A C 1 ATOM 1981 O O . GLY A 1 260 ? -3.104 9.579 12.077 1.00 101.59 ? 260 GLY A O 1 ATOM 1982 N N . LEU A 1 261 ? -2.538 7.436 12.483 1.00 96.55 ? 261 LEU A N 1 ATOM 1983 C CA . LEU A 1 261 ? -3.886 6.941 12.283 1.00 90.62 ? 261 LEU A CA 1 ATOM 1984 C C . LEU A 1 261 ? -4.575 6.851 13.635 1.00 85.47 ? 261 LEU A C 1 ATOM 1985 O O . LEU A 1 261 ? -3.975 6.434 14.622 1.00 84.90 ? 261 LEU A O 1 ATOM 1986 C CB . LEU A 1 261 ? -3.871 5.568 11.607 1.00 88.71 ? 261 LEU A CB 1 ATOM 1987 C CG . LEU A 1 261 ? -3.564 5.447 10.100 1.00 92.46 ? 261 LEU A CG 1 ATOM 1988 C CD1 . LEU A 1 261 ? -3.427 3.983 9.711 1.00 89.29 ? 261 LEU A CD1 1 ATOM 1989 C CD2 . LEU A 1 261 ? -4.656 6.092 9.271 1.00 91.46 ? 261 LEU A CD2 1 ATOM 1990 N N . ALA A 1 262 ? -5.838 7.246 13.687 1.00 82.76 ? 262 ALA A N 1 ATOM 1991 C CA . ALA A 1 262 ? -6.637 7.063 14.891 1.00 77.95 ? 262 ALA A CA 1 ATOM 1992 C C . ALA A 1 262 ? -7.898 6.270 14.578 1.00 73.39 ? 262 ALA A C 1 ATOM 1993 O O . ALA A 1 262 ? -8.386 6.292 13.445 1.00 74.36 ? 262 ALA A O 1 ATOM 1994 C CB . ALA A 1 262 ? -6.986 8.408 15.513 1.00 79.38 ? 262 ALA A CB 1 ATOM 1995 N N . CYS A 1 263 ? -8.399 5.551 15.582 1.00 69.13 ? 263 CYS A N 1 ATOM 1996 C CA . CYS A 1 263 ? -9.715 4.939 15.536 1.00 65.28 ? 263 CYS A CA 1 ATOM 1997 C C . CYS A 1 263 ? -10.673 5.878 16.251 1.00 63.96 ? 263 CYS A C 1 ATOM 1998 O O . CYS A 1 263 ? -10.356 6.402 17.319 1.00 65.09 ? 263 CYS A O 1 ATOM 1999 C CB . CYS A 1 263 ? -9.728 3.570 16.219 1.00 61.73 ? 263 CYS A CB 1 ATOM 2000 S SG . CYS A 1 263 ? -11.323 2.833 16.065 1.00 61.89 ? 263 CYS A SG 1 ATOM 2001 N N . ARG A 1 264 ? -11.831 6.115 15.652 1.00 62.37 ? 264 ARG A N 1 ATOM 2002 C CA . ARG A 1 264 ? -12.835 6.964 16.269 1.00 60.91 ? 264 ARG A CA 1 ATOM 2003 C C . ARG A 1 264 ? -14.193 6.252 16.374 1.00 56.04 ? 264 ARG A C 1 ATOM 2004 O O . ARG A 1 264 ? -14.716 5.711 15.382 1.00 54.85 ? 264 ARG A O 1 ATOM 2005 C CB . ARG A 1 264 ? -12.970 8.272 15.507 1.00 64.93 ? 264 ARG A CB 1 ATOM 2006 C CG . ARG A 1 264 ? -13.884 9.297 16.169 1.00 65.92 ? 264 ARG A CG 1 ATOM 2007 C CD . ARG A 1 264 ? -13.507 10.742 15.707 1.00 72.23 ? 264 ARG A CD 1 ATOM 2008 N NE . ARG A 1 264 ? -14.270 11.760 16.429 1.00 73.08 ? 264 ARG A NE 1 ATOM 2009 C CZ . ARG A 1 264 ? -13.833 12.980 16.740 1.00 78.89 ? 264 ARG A CZ 1 ATOM 2010 N NH1 . ARG A 1 264 ? -12.608 13.380 16.404 1.00 83.06 ? 264 ARG A NH1 1 ATOM 2011 N NH2 . ARG A 1 264 ? -14.634 13.807 17.405 1.00 80.11 ? 264 ARG A NH2 1 ATOM 2012 N N . VAL A 1 265 ? -14.742 6.263 17.588 1.00 52.57 ? 265 VAL A N 1 ATOM 2013 C CA . VAL A 1 265 ? -15.999 5.608 17.876 1.00 48.68 ? 265 VAL A CA 1 ATOM 2014 C C . VAL A 1 265 ? -17.011 6.611 18.374 1.00 49.01 ? 265 VAL A C 1 ATOM 2015 O O . VAL A 1 265 ? -16.733 7.364 19.307 1.00 50.76 ? 265 VAL A O 1 ATOM 2016 C CB . VAL A 1 265 ? -15.839 4.507 18.950 1.00 45.36 ? 265 VAL A CB 1 ATOM 2017 C CG1 . VAL A 1 265 ? -17.151 3.744 19.112 1.00 41.83 ? 265 VAL A CG1 1 ATOM 2018 C CG2 . VAL A 1 265 ? -14.720 3.577 18.577 1.00 43.62 ? 265 VAL A CG2 1 ATOM 2019 N N . LYS A 1 266 ? -18.181 6.598 17.750 1.00 48.10 ? 266 LYS A N 1 ATOM 2020 C CA . LYS A 1 266 ? -19.333 7.385 18.197 1.00 48.82 ? 266 LYS A CA 1 ATOM 2021 C C . LYS A 1 266 ? -20.416 6.427 18.649 1.00 45.32 ? 266 LYS A C 1 ATOM 2022 O O . LYS A 1 266 ? -20.715 5.446 17.955 1.00 45.27 ? 266 LYS A O 1 ATOM 2023 C CB . LYS A 1 266 ? -19.895 8.268 17.070 1.00 50.83 ? 266 LYS A CB 1 ATOM 2024 C CG . LYS A 1 266 ? -18.924 9.307 16.466 1.00 54.92 ? 266 LYS A CG 1 ATOM 2025 C CD . LYS A 1 266 ? -19.721 10.276 15.568 1.00 55.90 ? 266 LYS A CD 1 ATOM 2026 C CE . LYS A 1 266 ? -18.838 11.251 14.842 1.00 59.47 ? 266 LYS A CE 1 ATOM 2027 N NZ . LYS A 1 266 ? -18.452 12.388 15.717 1.00 60.80 ? 266 LYS A NZ 1 ATOM 2028 N N . HIS A 1 267 ? -21.019 6.708 19.800 1.00 44.30 ? 267 HIS A N 1 ATOM 2029 C CA . HIS A 1 267 ? -22.118 5.878 20.316 1.00 40.80 ? 267 HIS A CA 1 ATOM 2030 C C . HIS A 1 267 ? -22.975 6.748 21.225 1.00 42.38 ? 267 HIS A C 1 ATOM 2031 O O . HIS A 1 267 ? -22.439 7.608 21.930 1.00 44.88 ? 267 HIS A O 1 ATOM 2032 C CB . HIS A 1 267 ? -21.564 4.669 21.087 1.00 38.07 ? 267 HIS A CB 1 ATOM 2033 C CG . HIS A 1 267 ? -22.626 3.765 21.613 1.00 35.24 ? 267 HIS A CG 1 ATOM 2034 N ND1 . HIS A 1 267 ? -23.094 3.852 22.901 1.00 34.05 ? 267 HIS A ND1 1 ATOM 2035 C CD2 . HIS A 1 267 ? -23.363 2.806 21.002 1.00 29.86 ? 267 HIS A CD2 1 ATOM 2036 C CE1 . HIS A 1 267 ? -24.063 2.969 23.068 1.00 33.80 ? 267 HIS A CE1 1 ATOM 2037 N NE2 . HIS A 1 267 ? -24.254 2.332 21.926 1.00 30.17 ? 267 HIS A NE2 1 ATOM 2038 N N . SER A 1 268 ? -24.294 6.532 21.210 1.00 41.58 ? 268 SER A N 1 ATOM 2039 C CA . SER A 1 268 ? -25.241 7.322 22.012 1.00 42.46 ? 268 SER A CA 1 ATOM 2040 C C . SER A 1 268 ? -24.868 7.423 23.499 1.00 42.83 ? 268 SER A C 1 ATOM 2041 O O . SER A 1 268 ? -25.170 8.433 24.149 1.00 44.95 ? 268 SER A O 1 ATOM 2042 C CB . SER A 1 268 ? -26.669 6.780 21.865 1.00 41.50 ? 268 SER A CB 1 ATOM 2043 O OG . SER A 1 268 ? -26.676 5.369 21.972 1.00 39.09 ? 268 SER A OG 1 ATOM 2044 N N . SER A 1 269 ? -24.172 6.404 24.009 1.00 40.67 ? 269 SER A N 1 ATOM 2045 C CA . SER A 1 269 ? -23.869 6.299 25.442 1.00 41.93 ? 269 SER A CA 1 ATOM 2046 C C . SER A 1 269 ? -22.852 7.310 25.949 1.00 44.85 ? 269 SER A C 1 ATOM 2047 O O . SER A 1 269 ? -22.803 7.589 27.143 1.00 46.61 ? 269 SER A O 1 ATOM 2048 C CB . SER A 1 269 ? -23.394 4.878 25.789 1.00 39.23 ? 269 SER A CB 1 ATOM 2049 O OG . SER A 1 269 ? -22.157 4.605 25.162 1.00 38.29 ? 269 SER A OG 1 ATOM 2050 N N . LEU A 1 270 ? -22.066 7.851 25.021 1.00 46.06 ? 270 LEU A N 1 ATOM 2051 C CA . LEU A 1 270 ? -20.929 8.725 25.298 1.00 49.61 ? 270 LEU A CA 1 ATOM 2052 C C . LEU A 1 270 ? -21.284 10.177 25.487 1.00 54.19 ? 270 LEU A C 1 ATOM 2053 O O . LEU A 1 270 ? -20.451 10.977 25.932 1.00 58.34 ? 270 LEU A O 1 ATOM 2054 C CB . LEU A 1 270 ? -19.922 8.611 24.158 1.00 48.99 ? 270 LEU A CB 1 ATOM 2055 C CG . LEU A 1 270 ? -19.351 7.192 23.968 1.00 46.28 ? 270 LEU A CG 1 ATOM 2056 C CD1 . LEU A 1 270 ? -18.496 7.124 22.700 1.00 45.61 ? 270 LEU A CD1 1 ATOM 2057 C CD2 . LEU A 1 270 ? -18.563 6.732 25.218 1.00 45.13 ? 270 LEU A CD2 1 ATOM 2058 N N . GLY A 1 271 ? -22.516 10.530 25.142 1.00 54.66 ? 271 GLY A N 1 ATOM 2059 C CA . GLY A 1 271 ? -22.961 11.899 25.242 1.00 58.77 ? 271 GLY A CA 1 ATOM 2060 C C . GLY A 1 271 ? -22.129 12.801 24.358 1.00 61.83 ? 271 GLY A C 1 ATOM 2061 O O . GLY A 1 271 ? -21.814 13.937 24.742 1.00 66.17 ? 271 GLY A O 1 ATOM 2062 N N . GLY A 1 272 ? -21.786 12.298 23.174 1.00 60.04 ? 272 GLY A N 1 ATOM 2063 C CA . GLY A 1 272 ? -20.980 13.037 22.204 1.00 64.05 ? 272 GLY A CA 1 ATOM 2064 C C . GLY A 1 272 ? -19.510 13.259 22.555 1.00 66.75 ? 272 GLY A C 1 ATOM 2065 O O . GLY A 1 272 ? -18.832 14.072 21.937 1.00 70.10 ? 272 GLY A O 1 ATOM 2066 N N . GLN A 1 273 ? -19.012 12.564 23.563 1.00 66.30 ? 273 GLN A N 1 ATOM 2067 C CA . GLN A 1 273 ? -17.572 12.547 23.794 1.00 69.11 ? 273 GLN A CA 1 ATOM 2068 C C . GLN A 1 273 ? -17.031 11.282 23.140 1.00 65.49 ? 273 GLN A C 1 ATOM 2069 O O . GLN A 1 273 ? -16.930 10.259 23.795 1.00 63.45 ? 273 GLN A O 1 ATOM 2070 C CB . GLN A 1 273 ? -17.257 12.527 25.289 1.00 70.95 ? 273 GLN A CB 1 ATOM 2071 C CG . GLN A 1 273 ? -17.458 13.853 26.017 1.00 77.69 ? 273 GLN A CG 1 ATOM 2072 C CD . GLN A 1 273 ? -16.940 13.786 27.443 1.00 81.74 ? 273 GLN A CD 1 ATOM 2073 O OE1 . GLN A 1 273 ? -17.044 12.743 28.104 1.00 77.63 ? 273 GLN A OE1 1 ATOM 2074 N NE2 . GLN A 1 273 ? -16.362 14.895 27.922 1.00 87.05 ? 273 GLN A NE2 1 ATOM 2075 N N . ASP A 1 274 ? -16.704 11.362 21.850 1.00 65.94 ? 274 ASP A N 1 ATOM 2076 C CA . ASP A 1 274 ? -16.203 10.225 21.073 1.00 63.12 ? 274 ASP A CA 1 ATOM 2077 C C . ASP A 1 274 ? -14.970 9.591 21.729 1.00 63.16 ? 274 ASP A C 1 ATOM 2078 O O . ASP A 1 274 ? -14.237 10.270 22.439 1.00 65.74 ? 274 ASP A O 1 ATOM 2079 C CB . ASP A 1 274 ? -15.851 10.652 19.640 1.00 65.29 ? 274 ASP A CB 1 ATOM 2080 C CG . ASP A 1 274 ? -17.021 11.337 18.899 1.00 67.38 ? 274 ASP A CG 1 ATOM 2081 O OD1 . ASP A 1 274 ? -18.212 11.179 19.264 1.00 65.24 ? 274 ASP A OD1 1 ATOM 2082 O OD2 . ASP A 1 274 ? -16.737 12.049 17.915 1.00 73.78 ? 274 ASP A OD2 1 ATOM 2083 N N . ILE A 1 275 ? -14.789 8.279 21.524 1.00 59.76 ? 275 ILE A N 1 ATOM 2084 C CA . ILE A 1 275 ? -13.532 7.620 21.826 1.00 59.84 ? 275 ILE A CA 1 ATOM 2085 C C . ILE A 1 275 ? -12.589 7.917 20.665 1.00 62.92 ? 275 ILE A C 1 ATOM 2086 O O . ILE A 1 275 ? -12.954 7.810 19.489 1.00 62.28 ? 275 ILE A O 1 ATOM 2087 C CB . ILE A 1 275 ? -13.700 6.089 22.024 1.00 56.39 ? 275 ILE A CB 1 ATOM 2088 C CG1 . ILE A 1 275 ? -14.617 5.791 23.217 1.00 54.17 ? 275 ILE A CG1 1 ATOM 2089 C CG2 . ILE A 1 275 ? -12.340 5.398 22.208 1.00 55.93 ? 275 ILE A CG2 1 ATOM 2090 C CD1 . ILE A 1 275 ? -14.856 4.324 23.478 1.00 50.49 ? 275 ILE A CD1 1 ATOM 2091 N N . ILE A 1 276 ? -11.379 8.336 20.999 1.00 66.65 ? 276 ILE A N 1 ATOM 2092 C CA . ILE A 1 276 ? -10.384 8.617 19.994 1.00 70.16 ? 276 ILE A CA 1 ATOM 2093 C C . ILE A 1 276 ? -9.119 7.894 20.437 1.00 71.21 ? 276 ILE A C 1 ATOM 2094 O O . ILE A 1 276 ? -8.617 8.134 21.532 1.00 72.95 ? 276 ILE A O 1 ATOM 2095 C CB . ILE A 1 276 ? -10.183 10.160 19.804 1.00 75.12 ? 276 ILE A CB 1 ATOM 2096 C CG1 . ILE A 1 276 ? -11.523 10.826 19.454 1.00 74.66 ? 276 ILE A CG1 1 ATOM 2097 C CG2 . ILE A 1 276 ? -9.155 10.452 18.721 1.00 78.71 ? 276 ILE A CG2 1 ATOM 2098 C CD1 . ILE A 1 276 ? -11.543 12.377 19.511 1.00 81.76 ? 276 ILE A CD1 1 ATOM 2099 N N . LEU A 1 277 ? -8.643 6.976 19.599 1.00 70.54 ? 277 LEU A N 1 ATOM 2100 C CA . LEU A 1 277 ? -7.453 6.181 19.914 1.00 72.20 ? 277 LEU A CA 1 ATOM 2101 C C . LEU A 1 277 ? -6.387 6.246 18.823 1.00 75.94 ? 277 LEU A C 1 ATOM 2102 O O . LEU A 1 277 ? -6.554 5.696 17.739 1.00 75.12 ? 277 LEU A O 1 ATOM 2103 C CB . LEU A 1 277 ? -7.824 4.720 20.175 1.00 67.83 ? 277 LEU A CB 1 ATOM 2104 C CG . LEU A 1 277 ? -8.617 4.333 21.425 1.00 65.74 ? 277 LEU A CG 1 ATOM 2105 C CD1 . LEU A 1 277 ? -8.636 2.805 21.565 1.00 63.09 ? 277 LEU A CD1 1 ATOM 2106 C CD2 . LEU A 1 277 ? -8.027 4.988 22.677 1.00 70.56 ? 277 LEU A CD2 1 ATOM 2107 N N . TYR A 1 278 ? -5.280 6.904 19.113 1.00 80.90 ? 278 TYR A N 1 ATOM 2108 C CA . TYR A 1 278 ? -4.193 6.963 18.144 1.00 85.61 ? 278 TYR A CA 1 ATOM 2109 C C . TYR A 1 278 ? -3.363 5.692 18.237 1.00 84.87 ? 278 TYR A C 1 ATOM 2110 O O . TYR A 1 278 ? -3.211 5.128 19.315 1.00 83.31 ? 278 TYR A O 1 ATOM 2111 C CB . TYR A 1 278 ? -3.335 8.217 18.361 1.00 91.56 ? 278 TYR A CB 1 ATOM 2112 C CG . TYR A 1 278 ? -4.168 9.471 18.401 1.00 93.57 ? 278 TYR A CG 1 ATOM 2113 C CD1 . TYR A 1 278 ? -4.829 9.844 19.570 1.00 92.95 ? 278 TYR A CD1 1 ATOM 2114 C CD2 . TYR A 1 278 ? -4.319 10.271 17.266 1.00 97.54 ? 278 TYR A CD2 1 ATOM 2115 C CE1 . TYR A 1 278 ? -5.615 10.981 19.619 1.00 95.66 ? 278 TYR A CE1 1 ATOM 2116 C CE2 . TYR A 1 278 ? -5.103 11.422 17.301 1.00 100.08 ? 278 TYR A CE2 1 ATOM 2117 C CZ . TYR A 1 278 ? -5.755 11.766 18.485 1.00 99.10 ? 278 TYR A CZ 1 ATOM 2118 O OH . TYR A 1 278 ? -6.543 12.893 18.554 1.00 101.39 ? 278 TYR A OH 1 ATOM 2119 N N . TRP A 1 279 ? -2.859 5.230 17.097 1.00 86.58 ? 279 TRP A N 1 ATOM 2120 C CA . TRP A 1 279 ? -1.844 4.186 17.088 1.00 88.31 ? 279 TRP A CA 1 ATOM 2121 C C . TRP A 1 279 ? -0.537 4.713 17.677 1.00 93.78 ? 279 TRP A C 1 ATOM 2122 O O . TRP A 1 279 ? 0.281 3.980 18.230 1.00 95.37 ? 279 TRP A O 1 ATOM 2123 C CB . TRP A 1 279 ? -1.615 3.679 15.666 1.00 89.89 ? 279 TRP A CB 1 ATOM 2124 C CG . TRP A 1 279 ? -0.685 2.493 15.590 1.00 91.59 ? 279 TRP A CG 1 ATOM 2125 C CD1 . TRP A 1 279 ? 0.556 2.457 15.019 1.00 96.93 ? 279 TRP A CD1 1 ATOM 2126 C CD2 . TRP A 1 279 ? -0.922 1.182 16.110 1.00 87.51 ? 279 TRP A CD2 1 ATOM 2127 N NE1 . TRP A 1 279 ? 1.098 1.204 15.140 1.00 95.99 ? 279 TRP A NE1 1 ATOM 2128 C CE2 . TRP A 1 279 ? 0.211 0.402 15.808 1.00 91.00 ? 279 TRP A CE2 1 ATOM 2129 C CE3 . TRP A 1 279 ? -1.986 0.585 16.797 1.00 82.72 ? 279 TRP A CE3 1 ATOM 2130 C CZ2 . TRP A 1 279 ? 0.310 -0.949 16.172 1.00 88.98 ? 279 TRP A CZ2 1 ATOM 2131 C CZ3 . TRP A 1 279 ? -1.873 -0.762 17.166 1.00 79.79 ? 279 TRP A CZ3 1 ATOM 2132 C CH2 . TRP A 1 279 ? -0.740 -1.503 16.849 1.00 82.45 ? 279 TRP A CH2 1 ATOM 2133 N N . GLN B 2 2 ? -28.042 -28.427 4.239 1.00 68.25 ? 2 GLN B N 1 ATOM 2134 C CA . GLN B 2 2 ? -26.995 -28.611 5.297 1.00 66.59 ? 2 GLN B CA 1 ATOM 2135 C C . GLN B 2 2 ? -25.895 -27.553 5.156 1.00 65.66 ? 2 GLN B C 1 ATOM 2136 O O . GLN B 2 2 ? -25.281 -27.435 4.097 1.00 69.34 ? 2 GLN B O 1 ATOM 2137 C CB . GLN B 2 2 ? -26.419 -30.031 5.232 1.00 70.36 ? 2 GLN B CB 1 ATOM 2138 C CG . GLN B 2 2 ? -25.439 -30.398 6.365 1.00 69.87 ? 2 GLN B CG 1 ATOM 2139 C CD . GLN B 2 2 ? -25.315 -31.919 6.562 1.00 73.92 ? 2 GLN B CD 1 ATOM 2140 O OE1 . GLN B 2 2 ? -24.429 -32.564 5.990 1.00 77.02 ? 2 GLN B OE1 1 ATOM 2141 N NE2 . GLN B 2 2 ? -26.233 -32.497 7.351 1.00 72.41 ? 2 GLN B NE2 1 ATOM 2142 N N . LYS B 2 3 ? -25.666 -26.776 6.216 1.00 60.93 ? 3 LYS B N 1 ATOM 2143 C CA . LYS B 2 3 ? -24.713 -25.660 6.153 1.00 59.43 ? 3 LYS B CA 1 ATOM 2144 C C . LYS B 2 3 ? -23.725 -25.620 7.324 1.00 56.79 ? 3 LYS B C 1 ATOM 2145 O O . LYS B 2 3 ? -24.073 -25.905 8.486 1.00 53.47 ? 3 LYS B O 1 ATOM 2146 C CB . LYS B 2 3 ? -25.434 -24.313 6.004 1.00 57.73 ? 3 LYS B CB 1 ATOM 2147 N N . THR B 2 4 ? -22.496 -25.251 6.956 1.00 57.59 ? 4 THR B N 1 ATOM 2148 C CA . THR B 2 4 ? -21.292 -25.222 7.790 1.00 55.59 ? 4 THR B CA 1 ATOM 2149 C C . THR B 2 4 ? -21.285 -24.108 8.838 1.00 51.05 ? 4 THR B C 1 ATOM 2150 O O . THR B 2 4 ? -21.677 -22.978 8.536 1.00 51.08 ? 4 THR B O 1 ATOM 2151 C CB . THR B 2 4 ? -20.072 -25.051 6.877 1.00 59.26 ? 4 THR B CB 1 ATOM 2152 O OG1 . THR B 2 4 ? -20.122 -26.072 5.881 1.00 63.11 ? 4 THR B OG1 1 ATOM 2153 C CG2 . THR B 2 4 ? -18.755 -25.167 7.654 1.00 59.66 ? 4 THR B CG2 1 ATOM 2154 N N . PRO B 2 5 ? -20.835 -24.419 10.073 1.00 47.50 ? 5 PRO B N 1 ATOM 2155 C CA . PRO B 2 5 ? -20.819 -23.398 11.104 1.00 43.10 ? 5 PRO B CA 1 ATOM 2156 C C . PRO B 2 5 ? -19.645 -22.439 10.936 1.00 43.47 ? 5 PRO B C 1 ATOM 2157 O O . PRO B 2 5 ? -18.523 -22.878 10.688 1.00 45.36 ? 5 PRO B O 1 ATOM 2158 C CB . PRO B 2 5 ? -20.632 -24.200 12.386 1.00 41.54 ? 5 PRO B CB 1 ATOM 2159 C CG . PRO B 2 5 ? -20.601 -25.631 11.997 1.00 44.25 ? 5 PRO B CG 1 ATOM 2160 C CD . PRO B 2 5 ? -20.301 -25.696 10.568 1.00 48.45 ? 5 PRO B CD 1 ATOM 2161 N N . GLN B 2 6 ? -19.920 -21.143 11.048 1.00 41.24 ? 6 GLN B N 1 ATOM 2162 C CA . GLN B 2 6 ? -18.881 -20.153 11.146 1.00 41.75 ? 6 GLN B CA 1 ATOM 2163 C C . GLN B 2 6 ? -18.555 -19.993 12.620 1.00 38.32 ? 6 GLN B C 1 ATOM 2164 O O . GLN B 2 6 ? -19.464 -20.050 13.456 1.00 35.19 ? 6 GLN B O 1 ATOM 2165 C CB . GLN B 2 6 ? -19.319 -18.821 10.529 1.00 43.00 ? 6 GLN B CB 1 ATOM 2166 C CG . GLN B 2 6 ? -19.623 -18.889 9.024 1.00 50.04 ? 6 GLN B CG 1 ATOM 2167 C CD . GLN B 2 6 ? -18.446 -19.391 8.156 1.00 59.27 ? 6 GLN B CD 1 ATOM 2168 O OE1 . GLN B 2 6 ? -17.337 -18.849 8.198 1.00 64.06 ? 6 GLN B OE1 1 ATOM 2169 N NE2 . GLN B 2 6 ? -18.700 -20.430 7.363 1.00 63.07 ? 6 GLN B NE2 1 ATOM 2170 N N . ILE B 2 7 ? -17.265 -19.792 12.937 1.00 38.30 ? 7 ILE B N 1 ATOM 2171 C CA . ILE B 2 7 ? -16.820 -19.684 14.313 1.00 35.59 ? 7 ILE B CA 1 ATOM 2172 C C . ILE B 2 7 ? -16.029 -18.391 14.516 1.00 36.39 ? 7 ILE B C 1 ATOM 2173 O O . ILE B 2 7 ? -15.094 -18.110 13.745 1.00 39.80 ? 7 ILE B O 1 ATOM 2174 C CB . ILE B 2 7 ? -15.906 -20.873 14.712 1.00 37.32 ? 7 ILE B CB 1 ATOM 2175 C CG1 . ILE B 2 7 ? -16.559 -22.223 14.392 1.00 37.88 ? 7 ILE B CG1 1 ATOM 2176 C CG2 . ILE B 2 7 ? -15.512 -20.781 16.192 1.00 33.12 ? 7 ILE B CG2 1 ATOM 2177 C CD1 . ILE B 2 7 ? -15.606 -23.361 14.394 1.00 39.81 ? 7 ILE B CD1 1 ATOM 2178 N N . GLN B 2 8 ? -16.376 -17.626 15.556 1.00 32.90 ? 8 GLN B N 1 ATOM 2179 C CA . GLN B 2 8 ? -15.687 -16.380 15.872 1.00 33.36 ? 8 GLN B CA 1 ATOM 2180 C C . GLN B 2 8 ? -15.361 -16.335 17.367 1.00 32.06 ? 8 GLN B C 1 ATOM 2181 O O . GLN B 2 8 ? -16.274 -16.428 18.215 1.00 29.81 ? 8 GLN B O 1 ATOM 2182 C CB . GLN B 2 8 ? -16.501 -15.144 15.418 1.00 33.73 ? 8 GLN B CB 1 ATOM 2183 C CG . GLN B 2 8 ? -16.613 -15.008 13.889 1.00 37.58 ? 8 GLN B CG 1 ATOM 2184 C CD . GLN B 2 8 ? -17.698 -14.032 13.419 1.00 41.14 ? 8 GLN B CD 1 ATOM 2185 O OE1 . GLN B 2 8 ? -18.905 -14.370 13.345 1.00 39.11 ? 8 GLN B OE1 1 ATOM 2186 N NE2 . GLN B 2 8 ? -17.267 -12.823 13.055 1.00 42.15 ? 8 GLN B NE2 1 ATOM 2187 N N . VAL B 2 9 ? -14.065 -16.177 17.671 1.00 32.55 ? 9 VAL B N 1 ATOM 2188 C CA . VAL B 2 9 ? -13.536 -16.187 19.035 1.00 31.46 ? 9 VAL B CA 1 ATOM 2189 C C . VAL B 2 9 ? -12.999 -14.791 19.374 1.00 33.31 ? 9 VAL B C 1 ATOM 2190 O O . VAL B 2 9 ? -12.187 -14.219 18.622 1.00 35.77 ? 9 VAL B O 1 ATOM 2191 C CB . VAL B 2 9 ? -12.408 -17.258 19.163 1.00 32.95 ? 9 VAL B CB 1 ATOM 2192 C CG1 . VAL B 2 9 ? -11.924 -17.410 20.597 1.00 30.49 ? 9 VAL B CG1 1 ATOM 2193 C CG2 . VAL B 2 9 ? -12.905 -18.594 18.655 1.00 30.88 ? 9 VAL B CG2 1 ATOM 2194 N N . TYR B 2 10 ? -13.462 -14.232 20.487 1.00 31.77 ? 10 TYR B N 1 ATOM 2195 C CA . TYR B 2 10 ? -13.096 -12.871 20.857 1.00 33.44 ? 10 TYR B CA 1 ATOM 2196 C C . TYR B 2 10 ? -13.262 -12.658 22.363 1.00 33.38 ? 10 TYR B C 1 ATOM 2197 O O . TYR B 2 10 ? -14.040 -13.371 23.024 1.00 31.76 ? 10 TYR B O 1 ATOM 2198 C CB . TYR B 2 10 ? -13.923 -11.842 20.061 1.00 34.18 ? 10 TYR B CB 1 ATOM 2199 C CG . TYR B 2 10 ? -15.412 -12.122 20.077 1.00 32.39 ? 10 TYR B CG 1 ATOM 2200 C CD1 . TYR B 2 10 ? -15.951 -13.192 19.347 1.00 29.85 ? 10 TYR B CD1 1 ATOM 2201 C CD2 . TYR B 2 10 ? -16.286 -11.329 20.830 1.00 30.39 ? 10 TYR B CD2 1 ATOM 2202 C CE1 . TYR B 2 10 ? -17.315 -13.473 19.386 1.00 29.37 ? 10 TYR B CE1 1 ATOM 2203 C CE2 . TYR B 2 10 ? -17.646 -11.598 20.869 1.00 28.07 ? 10 TYR B CE2 1 ATOM 2204 C CZ . TYR B 2 10 ? -18.159 -12.663 20.139 1.00 29.07 ? 10 TYR B CZ 1 ATOM 2205 O OH . TYR B 2 10 ? -19.513 -12.925 20.150 1.00 28.15 ? 10 TYR B OH 1 ATOM 2206 N N . SER B 2 11 ? -12.539 -11.676 22.902 1.00 34.73 ? 11 SER B N 1 ATOM 2207 C CA . SER B 2 11 ? -12.560 -11.450 24.342 1.00 35.12 ? 11 SER B CA 1 ATOM 2208 C C . SER B 2 11 ? -13.571 -10.356 24.650 1.00 35.86 ? 11 SER B C 1 ATOM 2209 O O . SER B 2 11 ? -13.784 -9.482 23.826 1.00 37.37 ? 11 SER B O 1 ATOM 2210 C CB . SER B 2 11 ? -11.169 -11.109 24.872 1.00 35.99 ? 11 SER B CB 1 ATOM 2211 O OG . SER B 2 11 ? -10.642 -9.983 24.185 1.00 41.66 ? 11 SER B OG 1 ATOM 2212 N N . ARG B 2 12 ? -14.210 -10.418 25.819 1.00 35.60 ? 12 ARG B N 1 ATOM 2213 C CA . ARG B 2 12 ? -15.188 -9.374 26.221 1.00 36.91 ? 12 ARG B CA 1 ATOM 2214 C C . ARG B 2 12 ? -14.527 -8.013 26.494 1.00 40.73 ? 12 ARG B C 1 ATOM 2215 O O . ARG B 2 12 ? -15.067 -6.970 26.101 1.00 42.42 ? 12 ARG B O 1 ATOM 2216 C CB . ARG B 2 12 ? -15.973 -9.824 27.465 1.00 36.52 ? 12 ARG B CB 1 ATOM 2217 C CG . ARG B 2 12 ? -16.757 -8.725 28.194 1.00 36.56 ? 12 ARG B CG 1 ATOM 2218 C CD . ARG B 2 12 ? -17.947 -8.302 27.335 1.00 33.23 ? 12 ARG B CD 1 ATOM 2219 N NE . ARG B 2 12 ? -18.839 -7.373 28.013 1.00 34.46 ? 12 ARG B NE 1 ATOM 2220 C CZ . ARG B 2 12 ? -18.633 -6.069 28.150 1.00 37.90 ? 12 ARG B CZ 1 ATOM 2221 N NH1 . ARG B 2 12 ? -17.505 -5.507 27.718 1.00 39.04 ? 12 ARG B NH1 1 ATOM 2222 N NH2 . ARG B 2 12 ? -19.549 -5.321 28.761 1.00 41.44 ? 12 ARG B NH2 1 ATOM 2223 N N . HIS B 2 13 ? -13.385 -8.029 27.191 1.00 41.32 ? 13 HIS B N 1 ATOM 2224 C CA . HIS B 2 13 ? -12.675 -6.805 27.556 1.00 45.56 ? 13 HIS B CA 1 ATOM 2225 C C . HIS B 2 13 ? -11.334 -6.845 26.838 1.00 46.80 ? 13 HIS B C 1 ATOM 2226 O O . HIS B 2 13 ? -10.944 -7.911 26.342 1.00 44.28 ? 13 HIS B O 1 ATOM 2227 C CB . HIS B 2 13 ? -12.434 -6.725 29.076 1.00 47.11 ? 13 HIS B CB 1 ATOM 2228 C CG . HIS B 2 13 ? -13.661 -6.962 29.902 1.00 47.68 ? 13 HIS B CG 1 ATOM 2229 N ND1 . HIS B 2 13 ? -14.525 -5.946 30.265 1.00 50.69 ? 13 HIS B ND1 1 ATOM 2230 C CD2 . HIS B 2 13 ? -14.161 -8.101 30.448 1.00 43.25 ? 13 HIS B CD2 1 ATOM 2231 C CE1 . HIS B 2 13 ? -15.521 -6.454 30.972 1.00 51.22 ? 13 HIS B CE1 1 ATOM 2232 N NE2 . HIS B 2 13 ? -15.323 -7.758 31.101 1.00 47.23 ? 13 HIS B NE2 1 ATOM 2233 N N . PRO B 2 14 ? -10.615 -5.703 26.784 1.00 50.75 ? 14 PRO B N 1 ATOM 2234 C CA . PRO B 2 14 ? -9.275 -5.703 26.189 1.00 52.51 ? 14 PRO B CA 1 ATOM 2235 C C . PRO B 2 14 ? -8.285 -6.638 26.901 1.00 51.85 ? 14 PRO B C 1 ATOM 2236 O O . PRO B 2 14 ? -8.110 -6.541 28.126 1.00 52.42 ? 14 PRO B O 1 ATOM 2237 C CB . PRO B 2 14 ? -8.818 -4.237 26.309 1.00 56.47 ? 14 PRO B CB 1 ATOM 2238 C CG . PRO B 2 14 ? -10.026 -3.464 26.597 1.00 58.19 ? 14 PRO B CG 1 ATOM 2239 C CD . PRO B 2 14 ? -10.996 -4.365 27.267 1.00 54.67 ? 14 PRO B CD 1 ATOM 2240 N N . PRO B 2 15 ? -7.613 -7.511 26.124 1.00 51.65 ? 15 PRO B N 1 ATOM 2241 C CA . PRO B 2 15 ? -6.728 -8.570 26.592 1.00 50.69 ? 15 PRO B CA 1 ATOM 2242 C C . PRO B 2 15 ? -5.473 -8.035 27.234 1.00 54.08 ? 15 PRO B C 1 ATOM 2243 O O . PRO B 2 15 ? -4.680 -7.362 26.590 1.00 56.68 ? 15 PRO B O 1 ATOM 2244 C CB . PRO B 2 15 ? -6.353 -9.317 25.304 1.00 50.14 ? 15 PRO B CB 1 ATOM 2245 C CG . PRO B 2 15 ? -7.440 -9.031 24.364 1.00 50.26 ? 15 PRO B CG 1 ATOM 2246 C CD . PRO B 2 15 ? -7.761 -7.569 24.660 1.00 52.10 ? 15 PRO B CD 1 ATOM 2247 N N . GLU B 2 16 ? -5.286 -8.359 28.499 1.00 54.14 ? 16 GLU B N 1 ATOM 2248 C CA . GLU B 2 16 ? -4.117 -7.921 29.208 1.00 57.92 ? 16 GLU B CA 1 ATOM 2249 C C . GLU B 2 16 ? -3.548 -9.138 29.926 1.00 56.40 ? 16 GLU B C 1 ATOM 2250 O O . GLU B 2 16 ? -4.211 -9.720 30.782 1.00 55.38 ? 16 GLU B O 1 ATOM 2251 C CB . GLU B 2 16 ? -4.511 -6.821 30.185 1.00 60.05 ? 16 GLU B CB 1 ATOM 2252 C CG . GLU B 2 16 ? -3.373 -6.287 31.006 1.00 66.70 ? 16 GLU B CG 1 ATOM 2253 C CD . GLU B 2 16 ? -3.529 -4.797 31.252 1.00 75.22 ? 16 GLU B CD 1 ATOM 2254 O OE1 . GLU B 2 16 ? -4.598 -4.247 30.863 1.00 77.10 ? 16 GLU B OE1 1 ATOM 2255 O OE2 . GLU B 2 16 ? -2.589 -4.182 31.810 1.00 78.57 ? 16 GLU B OE2 1 ATOM 2256 N N . ASN B 2 17 ? -2.339 -9.539 29.565 1.00 57.22 ? 17 ASN B N 1 ATOM 2257 C CA . ASN B 2 17 ? -1.695 -10.676 30.235 1.00 57.01 ? 17 ASN B CA 1 ATOM 2258 C C . ASN B 2 17 ? -1.796 -10.598 31.756 1.00 57.25 ? 17 ASN B C 1 ATOM 2259 O O . ASN B 2 17 ? -1.503 -9.557 32.348 1.00 60.02 ? 17 ASN B O 1 ATOM 2260 C CB . ASN B 2 17 ? -0.239 -10.816 29.794 1.00 58.99 ? 17 ASN B CB 1 ATOM 2261 C CG . ASN B 2 17 ? -0.116 -11.225 28.337 1.00 60.30 ? 17 ASN B CG 1 ATOM 2262 O OD1 . ASN B 2 17 ? -1.022 -11.835 27.770 1.00 58.01 ? 17 ASN B OD1 1 ATOM 2263 N ND2 . ASN B 2 17 ? 1.009 -10.887 27.723 1.00 65.11 ? 17 ASN B ND2 1 ATOM 2264 N N . GLY B 2 18 ? -2.256 -11.682 32.373 1.00 54.82 ? 18 GLY B N 1 ATOM 2265 C CA . GLY B 2 18 ? -2.334 -11.776 33.832 1.00 55.56 ? 18 GLY B CA 1 ATOM 2266 C C . GLY B 2 18 ? -3.646 -11.293 34.440 1.00 55.61 ? 18 GLY B C 1 ATOM 2267 O O . GLY B 2 18 ? -3.840 -11.434 35.649 1.00 56.97 ? 18 GLY B O 1 ATOM 2268 N N . LYS B 2 19 ? -4.547 -10.740 33.616 1.00 53.52 ? 19 LYS B N 1 ATOM 2269 C CA . LYS B 2 19 ? -5.839 -10.206 34.099 1.00 53.92 ? 19 LYS B CA 1 ATOM 2270 C C . LYS B 2 19 ? -7.078 -11.019 33.662 1.00 51.08 ? 19 LYS B C 1 ATOM 2271 O O . LYS B 2 19 ? -7.257 -11.282 32.477 1.00 48.70 ? 19 LYS B O 1 ATOM 2272 C CB . LYS B 2 19 ? -6.016 -8.725 33.699 1.00 55.44 ? 19 LYS B CB 1 ATOM 2273 N N . PRO B 2 20 ? -7.940 -11.403 34.633 1.00 51.50 ? 20 PRO B N 1 ATOM 2274 C CA . PRO B 2 20 ? -9.186 -12.127 34.378 1.00 48.93 ? 20 PRO B CA 1 ATOM 2275 C C . PRO B 2 20 ? -10.057 -11.411 33.348 1.00 47.31 ? 20 PRO B C 1 ATOM 2276 O O . PRO B 2 20 ? -10.231 -10.199 33.418 1.00 48.72 ? 20 PRO B O 1 ATOM 2277 C CB . PRO B 2 20 ? -9.875 -12.138 35.747 1.00 51.15 ? 20 PRO B CB 1 ATOM 2278 C CG . PRO B 2 20 ? -8.736 -12.088 36.731 1.00 54.86 ? 20 PRO B CG 1 ATOM 2279 C CD . PRO B 2 20 ? -7.717 -11.185 36.080 1.00 55.21 ? 20 PRO B CD 1 ATOM 2280 N N . ASN B 2 21 ? -10.592 -12.180 32.407 1.00 44.11 ? 21 ASN B N 1 ATOM 2281 C CA . ASN B 2 21 ? -11.366 -11.661 31.290 1.00 42.68 ? 21 ASN B CA 1 ATOM 2282 C C . ASN B 2 21 ? -12.457 -12.706 30.982 1.00 40.30 ? 21 ASN B C 1 ATOM 2283 O O . ASN B 2 21 ? -12.609 -13.680 31.716 1.00 40.61 ? 21 ASN B O 1 ATOM 2284 C CB . ASN B 2 21 ? -10.402 -11.481 30.106 1.00 42.04 ? 21 ASN B CB 1 ATOM 2285 C CG . ASN B 2 21 ? -10.885 -10.459 29.073 1.00 42.63 ? 21 ASN B CG 1 ATOM 2286 O OD1 . ASN B 2 21 ? -12.082 -10.332 28.810 1.00 40.37 ? 21 ASN B OD1 1 ATOM 2287 N ND2 . ASN B 2 21 ? -9.934 -9.743 28.463 1.00 41.03 ? 21 ASN B ND2 1 ATOM 2288 N N . ILE B 2 22 ? -13.209 -12.528 29.903 1.00 38.66 ? 22 ILE B N 1 ATOM 2289 C CA . ILE B 2 22 ? -14.140 -13.542 29.458 1.00 35.76 ? 22 ILE B CA 1 ATOM 2290 C C . ILE B 2 22 ? -13.827 -13.783 27.988 1.00 34.28 ? 22 ILE B C 1 ATOM 2291 O O . ILE B 2 22 ? -13.630 -12.815 27.237 1.00 34.71 ? 22 ILE B O 1 ATOM 2292 C CB . ILE B 2 22 ? -15.611 -13.058 29.676 1.00 37.11 ? 22 ILE B CB 1 ATOM 2293 C CG1 . ILE B 2 22 ? -16.012 -13.220 31.149 1.00 39.19 ? 22 ILE B CG1 1 ATOM 2294 C CG2 . ILE B 2 22 ? -16.592 -13.812 28.794 1.00 32.56 ? 22 ILE B CG2 1 ATOM 2295 C CD1 . ILE B 2 22 ? -16.911 -12.152 31.630 1.00 44.44 ? 22 ILE B CD1 1 ATOM 2296 N N . LEU B 2 23 ? -13.771 -15.057 27.584 1.00 32.13 ? 23 LEU B N 1 ATOM 2297 C CA . LEU B 2 23 ? -13.610 -15.432 26.185 1.00 30.82 ? 23 LEU B CA 1 ATOM 2298 C C . LEU B 2 23 ? -14.935 -15.932 25.586 1.00 29.64 ? 23 LEU B C 1 ATOM 2299 O O . LEU B 2 23 ? -15.594 -16.776 26.196 1.00 29.54 ? 23 LEU B O 1 ATOM 2300 C CB . LEU B 2 23 ? -12.540 -16.505 26.051 1.00 30.89 ? 23 LEU B CB 1 ATOM 2301 C CG . LEU B 2 23 ? -11.973 -16.831 24.673 1.00 31.45 ? 23 LEU B CG 1 ATOM 2302 C CD1 . LEU B 2 23 ? -11.324 -15.644 23.990 1.00 31.22 ? 23 LEU B CD1 1 ATOM 2303 C CD2 . LEU B 2 23 ? -10.973 -17.952 24.807 1.00 32.40 ? 23 LEU B CD2 1 ATOM 2304 N N . ASN B 2 24 ? -15.304 -15.392 24.417 1.00 28.62 ? 24 ASN B N 1 ATOM 2305 C CA . ASN B 2 24 ? -16.511 -15.739 23.696 1.00 27.83 ? 24 ASN B CA 1 ATOM 2306 C C . ASN B 2 24 ? -16.236 -16.589 22.467 1.00 28.54 ? 24 ASN B C 1 ATOM 2307 O O . ASN B 2 24 ? -15.251 -16.359 21.724 1.00 29.57 ? 24 ASN B O 1 ATOM 2308 C CB . ASN B 2 24 ? -17.237 -14.487 23.210 1.00 28.71 ? 24 ASN B CB 1 ATOM 2309 C CG . ASN B 2 24 ? -17.637 -13.544 24.342 1.00 30.69 ? 24 ASN B CG 1 ATOM 2310 O OD1 . ASN B 2 24 ? -18.010 -13.977 25.422 1.00 34.18 ? 24 ASN B OD1 1 ATOM 2311 N ND2 . ASN B 2 24 ? -17.555 -12.243 24.089 1.00 32.64 ? 24 ASN B ND2 1 ATOM 2312 N N . CYS B 2 25 ? -17.111 -17.566 22.235 1.00 27.63 ? 25 CYS B N 1 ATOM 2313 C CA . CYS B 2 25 ? -17.075 -18.325 21.005 1.00 28.56 ? 25 CYS B CA 1 ATOM 2314 C C . CYS B 2 25 ? -18.488 -18.291 20.413 1.00 27.79 ? 25 CYS B C 1 ATOM 2315 O O . CYS B 2 25 ? -19.453 -18.834 20.982 1.00 27.33 ? 25 CYS B O 1 ATOM 2316 C CB . CYS B 2 25 ? -16.597 -19.775 21.245 1.00 29.44 ? 25 CYS B CB 1 ATOM 2317 S SG . CYS B 2 25 ? -16.607 -20.690 19.665 1.00 34.60 ? 25 CYS B SG 1 ATOM 2318 N N . TYR B 2 26 ? -18.608 -17.605 19.292 1.00 28.54 ? 26 TYR B N 1 ATOM 2319 C CA . TYR B 2 26 ? -19.876 -17.387 18.648 1.00 27.90 ? 26 TYR B CA 1 ATOM 2320 C C . TYR B 2 26 ? -19.973 -18.252 17.392 1.00 28.34 ? 26 TYR B C 1 ATOM 2321 O O . TYR B 2 26 ? -19.191 -18.086 16.456 1.00 31.03 ? 26 TYR B O 1 ATOM 2322 C CB . TYR B 2 26 ? -19.969 -15.918 18.296 1.00 29.54 ? 26 TYR B CB 1 ATOM 2323 C CG . TYR B 2 26 ? -21.295 -15.476 17.729 1.00 28.79 ? 26 TYR B CG 1 ATOM 2324 C CD1 . TYR B 2 26 ? -22.503 -15.807 18.365 1.00 27.82 ? 26 TYR B CD1 1 ATOM 2325 C CD2 . TYR B 2 26 ? -21.335 -14.701 16.596 1.00 31.44 ? 26 TYR B CD2 1 ATOM 2326 C CE1 . TYR B 2 26 ? -23.708 -15.386 17.865 1.00 29.19 ? 26 TYR B CE1 1 ATOM 2327 C CE2 . TYR B 2 26 ? -22.542 -14.259 16.079 1.00 34.22 ? 26 TYR B CE2 1 ATOM 2328 C CZ . TYR B 2 26 ? -23.719 -14.611 16.722 1.00 32.98 ? 26 TYR B CZ 1 ATOM 2329 O OH . TYR B 2 26 ? -24.906 -14.166 16.218 1.00 37.60 ? 26 TYR B OH 1 ATOM 2330 N N . VAL B 2 27 ? -20.926 -19.174 17.371 1.00 27.21 ? 27 VAL B N 1 ATOM 2331 C CA . VAL B 2 27 ? -21.023 -20.149 16.293 1.00 28.11 ? 27 VAL B CA 1 ATOM 2332 C C . VAL B 2 27 ? -22.335 -19.901 15.544 1.00 29.11 ? 27 VAL B C 1 ATOM 2333 O O . VAL B 2 27 ? -23.401 -19.804 16.166 1.00 28.18 ? 27 VAL B O 1 ATOM 2334 C CB . VAL B 2 27 ? -20.956 -21.589 16.838 1.00 28.44 ? 27 VAL B CB 1 ATOM 2335 C CG1 . VAL B 2 27 ? -20.979 -22.607 15.695 1.00 27.95 ? 27 VAL B CG1 1 ATOM 2336 C CG2 . VAL B 2 27 ? -19.707 -21.764 17.717 1.00 25.28 ? 27 VAL B CG2 1 ATOM 2337 N N . THR B 2 28 ? -22.253 -19.756 14.224 1.00 30.24 ? 28 THR B N 1 ATOM 2338 C CA . THR B 2 28 ? -23.384 -19.250 13.482 1.00 31.33 ? 28 THR B CA 1 ATOM 2339 C C . THR B 2 28 ? -23.525 -19.954 12.176 1.00 34.03 ? 28 THR B C 1 ATOM 2340 O O . THR B 2 28 ? -22.617 -20.668 11.750 1.00 36.29 ? 28 THR B O 1 ATOM 2341 C CB . THR B 2 28 ? -23.211 -17.739 13.076 1.00 32.27 ? 28 THR B CB 1 ATOM 2342 O OG1 . THR B 2 28 ? -21.962 -17.577 12.400 1.00 32.07 ? 28 THR B OG1 1 ATOM 2343 C CG2 . THR B 2 28 ? -23.264 -16.813 14.256 1.00 30.74 ? 28 THR B CG2 1 ATOM 2344 N N . GLN B 2 29 ? -24.650 -19.670 11.522 1.00 35.11 ? 29 GLN B N 1 ATOM 2345 C CA . GLN B 2 29 ? -24.933 -20.039 10.130 1.00 38.27 ? 29 GLN B CA 1 ATOM 2346 C C . GLN B 2 29 ? -25.009 -21.541 9.921 1.00 37.66 ? 29 GLN B C 1 ATOM 2347 O O . GLN B 2 29 ? -24.767 -22.004 8.808 1.00 40.99 ? 29 GLN B O 1 ATOM 2348 C CB . GLN B 2 29 ? -23.929 -19.405 9.135 1.00 41.52 ? 29 GLN B CB 1 ATOM 2349 C CG . GLN B 2 29 ? -23.947 -17.859 9.042 1.00 48.46 ? 29 GLN B CG 1 ATOM 2350 C CD . GLN B 2 29 ? -25.321 -17.293 8.640 1.00 57.34 ? 29 GLN B CD 1 ATOM 2351 O OE1 . GLN B 2 29 ? -25.911 -17.694 7.616 1.00 61.72 ? 29 GLN B OE1 1 ATOM 2352 N NE2 . GLN B 2 29 ? -25.840 -16.356 9.452 1.00 58.37 ? 29 GLN B NE2 1 ATOM 2353 N N . PHE B 2 30 ? -25.347 -22.306 10.959 1.00 34.24 ? 30 PHE B N 1 ATOM 2354 C CA . PHE B 2 30 ? -25.429 -23.791 10.787 1.00 34.73 ? 30 PHE B CA 1 ATOM 2355 C C . PHE B 2 30 ? -26.853 -24.383 10.744 1.00 34.06 ? 30 PHE B C 1 ATOM 2356 O O . PHE B 2 30 ? -27.810 -23.778 11.216 1.00 31.67 ? 30 PHE B O 1 ATOM 2357 C CB . PHE B 2 30 ? -24.566 -24.532 11.825 1.00 33.29 ? 30 PHE B CB 1 ATOM 2358 C CG . PHE B 2 30 ? -24.934 -24.211 13.259 1.00 29.82 ? 30 PHE B CG 1 ATOM 2359 C CD1 . PHE B 2 30 ? -24.463 -23.051 13.871 1.00 25.21 ? 30 PHE B CD1 1 ATOM 2360 C CD2 . PHE B 2 30 ? -25.735 -25.084 14.002 1.00 26.51 ? 30 PHE B CD2 1 ATOM 2361 C CE1 . PHE B 2 30 ? -24.828 -22.758 15.217 1.00 24.99 ? 30 PHE B CE1 1 ATOM 2362 C CE2 . PHE B 2 30 ? -26.088 -24.796 15.347 1.00 25.66 ? 30 PHE B CE2 1 ATOM 2363 C CZ . PHE B 2 30 ? -25.642 -23.640 15.941 1.00 22.05 ? 30 PHE B CZ 1 ATOM 2364 N N . HIS B 2 31 ? -26.954 -25.563 10.130 1.00 36.47 ? 31 HIS B N 1 ATOM 2365 C CA A HIS B 2 31 ? -28.152 -26.380 10.141 0.50 37.27 ? 31 HIS B CA 1 ATOM 2366 C CA B HIS B 2 31 ? -28.200 -26.349 10.043 0.50 36.96 ? 31 HIS B CA 1 ATOM 2367 C C . HIS B 2 31 ? -27.764 -27.784 9.700 1.00 40.16 ? 31 HIS B C 1 ATOM 2368 O O . HIS B 2 31 ? -26.955 -27.966 8.808 1.00 42.82 ? 31 HIS B O 1 ATOM 2369 C CB A HIS B 2 31 ? -29.337 -25.771 9.352 0.50 37.40 ? 31 HIS B CB 1 ATOM 2370 C CB B HIS B 2 31 ? -29.124 -25.777 8.944 0.50 37.47 ? 31 HIS B CB 1 ATOM 2371 C CG A HIS B 2 31 ? -29.119 -25.651 7.874 0.50 41.76 ? 31 HIS B CG 1 ATOM 2372 C CG B HIS B 2 31 ? -30.592 -25.790 9.280 0.50 36.52 ? 31 HIS B CG 1 ATOM 2373 N ND1 A HIS B 2 31 ? -28.717 -24.478 7.274 0.50 43.26 ? 31 HIS B ND1 1 ATOM 2374 N ND1 B HIS B 2 31 ? -31.354 -26.946 9.282 0.50 38.65 ? 31 HIS B ND1 1 ATOM 2375 C CD2 A HIS B 2 31 ? -29.312 -26.541 6.869 0.50 47.38 ? 31 HIS B CD2 1 ATOM 2376 C CD2 B HIS B 2 31 ? -31.451 -24.773 9.561 0.50 33.29 ? 31 HIS B CD2 1 ATOM 2377 C CE1 A HIS B 2 31 ? -28.638 -24.658 5.966 0.50 48.08 ? 31 HIS B CE1 1 ATOM 2378 C CE1 B HIS B 2 31 ? -32.608 -26.643 9.585 0.50 36.76 ? 31 HIS B CE1 1 ATOM 2379 N NE2 A HIS B 2 31 ? -28.993 -25.902 5.694 0.50 50.34 ? 31 HIS B NE2 1 ATOM 2380 N NE2 B HIS B 2 31 ? -32.692 -25.333 9.765 0.50 34.40 ? 31 HIS B NE2 1 ATOM 2381 N N . PRO B 2 32 ? -28.299 -28.805 10.384 1.00 41.19 ? 32 PRO B N 1 ATOM 2382 C CA . PRO B 2 32 ? -29.306 -28.813 11.450 1.00 39.95 ? 32 PRO B CA 1 ATOM 2383 C C . PRO B 2 32 ? -28.719 -28.335 12.774 1.00 38.37 ? 32 PRO B C 1 ATOM 2384 O O . PRO B 2 32 ? -27.495 -28.164 12.865 1.00 37.97 ? 32 PRO B O 1 ATOM 2385 C CB . PRO B 2 32 ? -29.734 -30.283 11.513 1.00 43.07 ? 32 PRO B CB 1 ATOM 2386 C CG . PRO B 2 32 ? -28.533 -31.041 11.059 1.00 46.09 ? 32 PRO B CG 1 ATOM 2387 C CD . PRO B 2 32 ? -27.801 -30.160 10.086 1.00 44.88 ? 32 PRO B CD 1 ATOM 2388 N N . PRO B 2 33 ? -29.579 -28.124 13.787 1.00 37.22 ? 33 PRO B N 1 ATOM 2389 C CA . PRO B 2 33 ? -29.134 -27.429 14.998 1.00 36.07 ? 33 PRO B CA 1 ATOM 2390 C C . PRO B 2 33 ? -28.333 -28.307 15.970 1.00 37.49 ? 33 PRO B C 1 ATOM 2391 O O . PRO B 2 33 ? -27.757 -27.788 16.924 1.00 38.16 ? 33 PRO B O 1 ATOM 2392 C CB . PRO B 2 33 ? -30.443 -26.928 15.621 1.00 34.47 ? 33 PRO B CB 1 ATOM 2393 C CG . PRO B 2 33 ? -31.470 -27.963 15.187 1.00 37.63 ? 33 PRO B CG 1 ATOM 2394 C CD . PRO B 2 33 ? -31.000 -28.521 13.858 1.00 37.82 ? 33 PRO B CD 1 ATOM 2395 N N . HIS B 2 34 ? -28.246 -29.598 15.725 1.00 39.97 ? 34 HIS B N 1 ATOM 2396 C CA . HIS B 2 34 ? -27.433 -30.440 16.576 1.00 41.94 ? 34 HIS B CA 1 ATOM 2397 C C . HIS B 2 34 ? -25.932 -30.202 16.329 1.00 41.05 ? 34 HIS B C 1 ATOM 2398 O O . HIS B 2 34 ? -25.437 -30.302 15.196 1.00 42.26 ? 34 HIS B O 1 ATOM 2399 C CB . HIS B 2 34 ? -27.826 -31.907 16.418 1.00 46.16 ? 34 HIS B CB 1 ATOM 2400 C CG . HIS B 2 34 ? -27.032 -32.837 17.287 1.00 53.29 ? 34 HIS B CG 1 ATOM 2401 N ND1 . HIS B 2 34 ? -26.830 -32.611 18.635 1.00 56.45 ? 34 HIS B ND1 1 ATOM 2402 C CD2 . HIS B 2 34 ? -26.381 -33.991 17.000 1.00 60.21 ? 34 HIS B CD2 1 ATOM 2403 C CE1 . HIS B 2 34 ? -26.093 -33.586 19.140 1.00 59.70 ? 34 HIS B CE1 1 ATOM 2404 N NE2 . HIS B 2 34 ? -25.807 -34.435 18.170 1.00 63.26 ? 34 HIS B NE2 1 ATOM 2405 N N . ILE B 2 35 ? -25.220 -29.889 17.407 1.00 38.73 ? 35 ILE B N 1 ATOM 2406 C CA . ILE B 2 35 ? -23.855 -29.409 17.349 1.00 36.80 ? 35 ILE B CA 1 ATOM 2407 C C . ILE B 2 35 ? -23.155 -29.630 18.694 1.00 36.70 ? 35 ILE B C 1 ATOM 2408 O O . ILE B 2 35 ? -23.796 -29.569 19.746 1.00 36.00 ? 35 ILE B O 1 ATOM 2409 C CB . ILE B 2 35 ? -23.826 -27.852 17.002 1.00 33.87 ? 35 ILE B CB 1 ATOM 2410 C CG1 . ILE B 2 35 ? -22.463 -27.425 16.394 1.00 33.85 ? 35 ILE B CG1 1 ATOM 2411 C CG2 . ILE B 2 35 ? -24.190 -27.020 18.214 1.00 30.55 ? 35 ILE B CG2 1 ATOM 2412 C CD1 . ILE B 2 35 ? -22.457 -26.033 15.701 1.00 30.95 ? 35 ILE B CD1 1 ATOM 2413 N N . GLU B 2 36 ? -21.842 -29.852 18.651 1.00 37.29 ? 36 GLU B N 1 ATOM 2414 C CA . GLU B 2 36 ? -21.011 -29.980 19.848 1.00 37.98 ? 36 GLU B CA 1 ATOM 2415 C C . GLU B 2 36 ? -19.892 -28.937 19.814 1.00 36.62 ? 36 GLU B C 1 ATOM 2416 O O . GLU B 2 36 ? -19.107 -28.870 18.861 1.00 36.50 ? 36 GLU B O 1 ATOM 2417 C CB . GLU B 2 36 ? -20.436 -31.400 19.975 1.00 42.05 ? 36 GLU B CB 1 ATOM 2418 N N . ILE B 2 37 ? -19.860 -28.109 20.856 1.00 35.53 ? 37 ILE B N 1 ATOM 2419 C CA . ILE B 2 37 ? -18.942 -26.982 20.995 1.00 34.34 ? 37 ILE B CA 1 ATOM 2420 C C . ILE B 2 37 ? -18.094 -27.151 22.276 1.00 35.53 ? 37 ILE B C 1 ATOM 2421 O O . ILE B 2 37 ? -18.647 -27.401 23.351 1.00 36.21 ? 37 ILE B O 1 ATOM 2422 C CB . ILE B 2 37 ? -19.731 -25.680 21.058 1.00 32.06 ? 37 ILE B CB 1 ATOM 2423 C CG1 . ILE B 2 37 ? -20.470 -25.456 19.745 1.00 32.34 ? 37 ILE B CG1 1 ATOM 2424 C CG2 . ILE B 2 37 ? -18.842 -24.462 21.315 1.00 28.83 ? 37 ILE B CG2 1 ATOM 2425 C CD1 . ILE B 2 37 ? -21.433 -24.295 19.828 1.00 29.90 ? 37 ILE B CD1 1 ATOM 2426 N N . GLN B 2 38 ? -16.766 -27.070 22.137 1.00 35.70 ? 38 GLN B N 1 ATOM 2427 C CA . GLN B 2 38 ? -15.863 -27.081 23.276 1.00 36.77 ? 38 GLN B CA 1 ATOM 2428 C C . GLN B 2 38 ? -14.948 -25.863 23.219 1.00 35.50 ? 38 GLN B C 1 ATOM 2429 O O . GLN B 2 38 ? -14.534 -25.411 22.144 1.00 35.20 ? 38 GLN B O 1 ATOM 2430 C CB . GLN B 2 38 ? -14.952 -28.312 23.283 1.00 40.77 ? 38 GLN B CB 1 ATOM 2431 C CG . GLN B 2 38 ? -15.537 -29.614 22.845 1.00 44.31 ? 38 GLN B CG 1 ATOM 2432 C CD . GLN B 2 38 ? -14.483 -30.715 22.820 1.00 52.30 ? 38 GLN B CD 1 ATOM 2433 O OE1 . GLN B 2 38 ? -13.349 -30.519 22.337 1.00 52.53 ? 38 GLN B OE1 1 ATOM 2434 N NE2 . GLN B 2 38 ? -14.849 -31.888 23.333 1.00 55.34 ? 38 GLN B NE2 1 ATOM 2435 N N . MET B 2 39 ? -14.599 -25.358 24.386 1.00 34.83 ? 39 MET B N 1 ATOM 2436 C CA . MET B 2 39 ? -13.555 -24.386 24.476 1.00 34.17 ? 39 MET B CA 1 ATOM 2437 C C . MET B 2 39 ? -12.364 -25.071 25.128 1.00 36.98 ? 39 MET B C 1 ATOM 2438 O O . MET B 2 39 ? -12.516 -25.877 26.068 1.00 38.84 ? 39 MET B O 1 ATOM 2439 C CB . MET B 2 39 ? -14.036 -23.148 25.243 1.00 33.10 ? 39 MET B CB 1 ATOM 2440 C CG . MET B 2 39 ? -15.212 -22.438 24.535 1.00 30.43 ? 39 MET B CG 1 ATOM 2441 S SD . MET B 2 39 ? -15.729 -20.840 25.231 1.00 37.56 ? 39 MET B SD 1 ATOM 2442 C CE . MET B 2 39 ? -14.609 -19.638 24.529 1.00 30.94 ? 39 MET B CE 1 ATOM 2443 N N . LEU B 2 40 ? -11.177 -24.773 24.603 1.00 37.49 ? 40 LEU B N 1 ATOM 2444 C CA . LEU B 2 40 ? -9.954 -25.463 24.979 1.00 39.42 ? 40 LEU B CA 1 ATOM 2445 C C . LEU B 2 40 ? -8.916 -24.486 25.474 1.00 39.34 ? 40 LEU B C 1 ATOM 2446 O O . LEU B 2 40 ? -8.809 -23.371 24.981 1.00 38.48 ? 40 LEU B O 1 ATOM 2447 C CB . LEU B 2 40 ? -9.380 -26.203 23.781 1.00 41.22 ? 40 LEU B CB 1 ATOM 2448 C CG . LEU B 2 40 ? -10.315 -27.111 22.968 1.00 43.87 ? 40 LEU B CG 1 ATOM 2449 C CD1 . LEU B 2 40 ? -9.562 -27.644 21.749 1.00 46.54 ? 40 LEU B CD1 1 ATOM 2450 C CD2 . LEU B 2 40 ? -10.882 -28.268 23.840 1.00 44.08 ? 40 LEU B CD2 1 ATOM 2451 N N . LYS B 2 41 ? -8.150 -24.919 26.459 1.00 40.50 ? 41 LYS B N 1 ATOM 2452 C CA . LYS B 2 41 ? -7.007 -24.179 26.919 1.00 40.33 ? 41 LYS B CA 1 ATOM 2453 C C . LYS B 2 41 ? -5.838 -25.146 26.739 1.00 42.70 ? 41 LYS B C 1 ATOM 2454 O O . LYS B 2 41 ? -5.854 -26.253 27.274 1.00 44.30 ? 41 LYS B O 1 ATOM 2455 C CB . LYS B 2 41 ? -7.187 -23.799 28.386 1.00 40.01 ? 41 LYS B CB 1 ATOM 2456 C CG . LYS B 2 41 ? -6.017 -23.025 28.956 1.00 43.27 ? 41 LYS B CG 1 ATOM 2457 C CD . LYS B 2 41 ? -6.004 -23.004 30.471 1.00 44.44 ? 41 LYS B CD 1 ATOM 2458 C CE . LYS B 2 41 ? -4.813 -22.168 30.937 1.00 46.30 ? 41 LYS B CE 1 ATOM 2459 N NZ . LYS B 2 41 ? -4.431 -22.440 32.337 1.00 46.55 ? 41 LYS B NZ 1 ATOM 2460 N N . ASN B 2 42 ? -4.848 -24.724 25.956 1.00 43.22 ? 42 ASN B N 1 ATOM 2461 C CA . ASN B 2 42 ? -3.738 -25.586 25.559 1.00 47.23 ? 42 ASN B CA 1 ATOM 2462 C C . ASN B 2 42 ? -4.187 -26.978 25.095 1.00 49.39 ? 42 ASN B C 1 ATOM 2463 O O . ASN B 2 42 ? -3.596 -27.998 25.472 1.00 54.17 ? 42 ASN B O 1 ATOM 2464 C CB . ASN B 2 42 ? -2.700 -25.687 26.687 1.00 48.85 ? 42 ASN B CB 1 ATOM 2465 C CG . ASN B 2 42 ? -2.218 -24.327 27.159 1.00 47.56 ? 42 ASN B CG 1 ATOM 2466 O OD1 . ASN B 2 42 ? -1.857 -23.468 26.349 1.00 46.80 ? 42 ASN B OD1 1 ATOM 2467 N ND2 . ASN B 2 42 ? -2.191 -24.129 28.477 1.00 46.53 ? 42 ASN B ND2 1 ATOM 2468 N N . GLY B 2 43 ? -5.242 -27.029 24.296 1.00 48.28 ? 43 GLY B N 1 ATOM 2469 C CA . GLY B 2 43 ? -5.706 -28.288 23.738 1.00 51.11 ? 43 GLY B CA 1 ATOM 2470 C C . GLY B 2 43 ? -6.579 -29.111 24.659 1.00 52.03 ? 43 GLY B C 1 ATOM 2471 O O . GLY B 2 43 ? -7.175 -30.094 24.216 1.00 54.10 ? 43 GLY B O 1 ATOM 2472 N N . LYS B 2 44 ? -6.678 -28.711 25.927 1.00 51.08 ? 44 LYS B N 1 ATOM 2473 C CA . LYS B 2 44 ? -7.515 -29.419 26.902 1.00 52.53 ? 44 LYS B CA 1 ATOM 2474 C C . LYS B 2 44 ? -8.854 -28.716 27.152 1.00 49.02 ? 44 LYS B C 1 ATOM 2475 O O . LYS B 2 44 ? -8.923 -27.505 27.259 1.00 46.05 ? 44 LYS B O 1 ATOM 2476 C CB . LYS B 2 44 ? -6.763 -29.599 28.230 1.00 54.18 ? 44 LYS B CB 1 ATOM 2477 C CG . LYS B 2 44 ? -5.499 -30.423 28.119 1.00 59.86 ? 44 LYS B CG 1 ATOM 2478 C CD . LYS B 2 44 ? -4.281 -29.801 28.865 1.00 61.83 ? 44 LYS B CD 1 ATOM 2479 C CE . LYS B 2 44 ? -4.405 -29.928 30.371 1.00 64.68 ? 44 LYS B CE 1 ATOM 2480 N NZ . LYS B 2 44 ? -3.076 -29.857 31.044 1.00 71.78 ? 44 LYS B NZ 1 ATOM 2481 N N . LYS B 2 45 ? -9.899 -29.506 27.305 1.00 50.97 ? 45 LYS B N 1 ATOM 2482 C CA . LYS B 2 45 ? -11.244 -29.018 27.594 1.00 49.95 ? 45 LYS B CA 1 ATOM 2483 C C . LYS B 2 45 ? -11.354 -28.170 28.883 1.00 49.44 ? 45 LYS B C 1 ATOM 2484 O O . LYS B 2 45 ? -10.953 -28.602 29.972 1.00 52.08 ? 45 LYS B O 1 ATOM 2485 C CB . LYS B 2 45 ? -12.196 -30.219 27.669 1.00 52.72 ? 45 LYS B CB 1 ATOM 2486 C CG . LYS B 2 45 ? -13.608 -29.934 27.268 1.00 52.85 ? 45 LYS B CG 1 ATOM 2487 C CD . LYS B 2 45 ? -14.613 -30.984 27.789 1.00 60.14 ? 45 LYS B CD 1 ATOM 2488 C CE . LYS B 2 45 ? -16.051 -30.502 27.470 1.00 59.61 ? 45 LYS B CE 1 ATOM 2489 N NZ . LYS B 2 45 ? -17.126 -31.504 27.797 1.00 65.08 ? 45 LYS B NZ 1 ATOM 2490 N N . ILE B 2 46 ? -11.906 -26.967 28.733 1.00 46.68 ? 46 ILE B N 1 ATOM 2491 C CA . ILE B 2 46 ? -12.259 -26.088 29.846 1.00 47.49 ? 46 ILE B CA 1 ATOM 2492 C C . ILE B 2 46 ? -13.625 -26.555 30.399 1.00 50.12 ? 46 ILE B C 1 ATOM 2493 O O . ILE B 2 46 ? -14.592 -26.744 29.622 1.00 49.15 ? 46 ILE B O 1 ATOM 2494 C CB . ILE B 2 46 ? -12.277 -24.571 29.400 1.00 44.27 ? 46 ILE B CB 1 ATOM 2495 C CG1 . ILE B 2 46 ? -10.967 -24.200 28.693 1.00 42.56 ? 46 ILE B CG1 1 ATOM 2496 C CG2 . ILE B 2 46 ? -12.489 -23.617 30.574 1.00 44.34 ? 46 ILE B CG2 1 ATOM 2497 C CD1 . ILE B 2 46 ? -10.978 -22.873 27.973 1.00 39.74 ? 46 ILE B CD1 1 ATOM 2498 N N . PRO B 2 47 ? -13.715 -26.752 31.735 1.00 53.80 ? 47 PRO B N 1 ATOM 2499 C CA . PRO B 2 47 ? -14.907 -27.347 32.345 1.00 56.71 ? 47 PRO B CA 1 ATOM 2500 C C . PRO B 2 47 ? -16.097 -26.400 32.560 1.00 56.24 ? 47 PRO B C 1 ATOM 2501 O O . PRO B 2 47 ? -17.242 -26.805 32.312 1.00 57.76 ? 47 PRO B O 1 ATOM 2502 C CB . PRO B 2 47 ? -14.390 -27.899 33.685 1.00 61.52 ? 47 PRO B CB 1 ATOM 2503 C CG . PRO B 2 47 ? -12.968 -27.331 33.869 1.00 60.12 ? 47 PRO B CG 1 ATOM 2504 C CD . PRO B 2 47 ? -12.689 -26.400 32.741 1.00 55.75 ? 47 PRO B CD 1 ATOM 2505 N N . LYS B 2 48 ? -15.873 -25.159 32.987 1.00 55.31 ? 48 LYS B N 1 ATOM 2506 C CA . LYS B 2 48 ? -17.023 -24.303 33.352 1.00 55.84 ? 48 LYS B CA 1 ATOM 2507 C C . LYS B 2 48 ? -17.573 -23.470 32.171 1.00 52.10 ? 48 LYS B C 1 ATOM 2508 O O . LYS B 2 48 ? -17.636 -22.233 32.251 1.00 52.61 ? 48 LYS B O 1 ATOM 2509 C CB . LYS B 2 48 ? -16.688 -23.374 34.546 1.00 57.50 ? 48 LYS B CB 1 ATOM 2510 C CG . LYS B 2 48 ? -16.242 -24.076 35.870 1.00 64.55 ? 48 LYS B CG 1 ATOM 2511 C CD . LYS B 2 48 ? -17.303 -25.028 36.439 1.00 69.78 ? 48 LYS B CD 1 ATOM 2512 C CE . LYS B 2 48 ? -17.044 -25.316 37.899 1.00 76.54 ? 48 LYS B CE 1 ATOM 2513 N NZ . LYS B 2 48 ? -17.860 -26.464 38.387 1.00 82.75 ? 48 LYS B NZ 1 ATOM 2514 N N . VAL B 2 49 ? -17.967 -24.110 31.076 1.00 49.28 ? 49 VAL B N 1 ATOM 2515 C CA . VAL B 2 49 ? -18.317 -23.328 29.891 1.00 44.60 ? 49 VAL B CA 1 ATOM 2516 C C . VAL B 2 49 ? -19.826 -23.057 29.835 1.00 44.31 ? 49 VAL B C 1 ATOM 2517 O O . VAL B 2 49 ? -20.630 -23.984 29.726 1.00 45.11 ? 49 VAL B O 1 ATOM 2518 C CB . VAL B 2 49 ? -17.761 -23.978 28.590 1.00 43.20 ? 49 VAL B CB 1 ATOM 2519 C CG1 . VAL B 2 49 ? -18.266 -23.270 27.341 1.00 37.79 ? 49 VAL B CG1 1 ATOM 2520 C CG2 . VAL B 2 49 ? -16.252 -23.933 28.612 1.00 43.56 ? 49 VAL B CG2 1 ATOM 2521 N N . GLU B 2 50 ? -20.206 -21.787 29.939 1.00 43.08 ? 50 GLU B N 1 ATOM 2522 C CA . GLU B 2 50 ? -21.617 -21.412 29.882 1.00 43.13 ? 50 GLU B CA 1 ATOM 2523 C C . GLU B 2 50 ? -22.048 -21.300 28.429 1.00 40.08 ? 50 GLU B C 1 ATOM 2524 O O . GLU B 2 50 ? -21.293 -20.845 27.566 1.00 38.44 ? 50 GLU B O 1 ATOM 2525 C CB . GLU B 2 50 ? -21.897 -20.102 30.628 1.00 44.39 ? 50 GLU B CB 1 ATOM 2526 C CG . GLU B 2 50 ? -21.644 -20.121 32.152 1.00 51.30 ? 50 GLU B CG 1 ATOM 2527 C CD . GLU B 2 50 ? -22.455 -19.042 32.936 1.00 60.85 ? 50 GLU B CD 1 ATOM 2528 O OE1 . GLU B 2 50 ? -23.418 -18.414 32.387 1.00 61.17 ? 50 GLU B OE1 1 ATOM 2529 O OE2 . GLU B 2 50 ? -22.141 -18.826 34.139 1.00 66.27 ? 50 GLU B OE2 1 ATOM 2530 N N . MET B 2 51 ? -23.276 -21.707 28.169 1.00 39.76 ? 51 MET B N 1 ATOM 2531 C CA . MET B 2 51 ? -23.820 -21.679 26.830 1.00 37.81 ? 51 MET B CA 1 ATOM 2532 C C . MET B 2 51 ? -25.091 -20.858 26.808 1.00 36.07 ? 51 MET B C 1 ATOM 2533 O O . MET B 2 51 ? -25.943 -21.053 27.659 1.00 38.17 ? 51 MET B O 1 ATOM 2534 C CB . MET B 2 51 ? -24.157 -23.107 26.417 1.00 38.84 ? 51 MET B CB 1 ATOM 2535 C CG . MET B 2 51 ? -23.913 -23.339 24.977 1.00 43.12 ? 51 MET B CG 1 ATOM 2536 S SD . MET B 2 51 ? -22.204 -23.815 24.752 1.00 48.92 ? 51 MET B SD 1 ATOM 2537 C CE . MET B 2 51 ? -22.414 -25.601 24.876 1.00 55.66 ? 51 MET B CE 1 ATOM 2538 N N . SER B 2 52 ? -25.240 -19.954 25.841 1.00 33.18 ? 52 SER B N 1 ATOM 2539 C CA . SER B 2 52 ? -26.525 -19.244 25.679 1.00 32.93 ? 52 SER B CA 1 ATOM 2540 C C . SER B 2 52 ? -27.530 -20.255 25.153 1.00 32.21 ? 52 SER B C 1 ATOM 2541 O O . SER B 2 52 ? -27.132 -21.319 24.731 1.00 30.94 ? 52 SER B O 1 ATOM 2542 C CB . SER B 2 52 ? -26.422 -18.054 24.713 1.00 31.19 ? 52 SER B CB 1 ATOM 2543 O OG . SER B 2 52 ? -26.338 -18.499 23.360 1.00 29.72 ? 52 SER B OG 1 ATOM 2544 N N . ASP B 2 53 ? -28.820 -19.935 25.186 1.00 32.33 ? 53 ASP B N 1 ATOM 2545 C CA . ASP B 2 53 ? -29.804 -20.767 24.500 1.00 32.56 ? 53 ASP B CA 1 ATOM 2546 C C . ASP B 2 53 ? -29.594 -20.781 23.001 1.00 30.56 ? 53 ASP B C 1 ATOM 2547 O O . ASP B 2 53 ? -29.217 -19.787 22.421 1.00 30.70 ? 53 ASP B O 1 ATOM 2548 C CB . ASP B 2 53 ? -31.194 -20.226 24.778 1.00 34.90 ? 53 ASP B CB 1 ATOM 2549 C CG . ASP B 2 53 ? -31.548 -20.289 26.245 1.00 38.15 ? 53 ASP B CG 1 ATOM 2550 O OD1 . ASP B 2 53 ? -31.296 -21.350 26.862 1.00 39.37 ? 53 ASP B OD1 1 ATOM 2551 O OD2 . ASP B 2 53 ? -32.065 -19.282 26.763 1.00 39.55 ? 53 ASP B OD2 1 ATOM 2552 N N . MET B 2 54 ? -29.858 -21.887 22.333 1.00 30.46 ? 54 MET B N 1 ATOM 2553 C CA . MET B 2 54 ? -29.800 -21.799 20.888 1.00 28.47 ? 54 MET B CA 1 ATOM 2554 C C . MET B 2 54 ? -30.940 -20.938 20.387 1.00 27.41 ? 54 MET B C 1 ATOM 2555 O O . MET B 2 54 ? -32.015 -20.932 20.940 1.00 27.60 ? 54 MET B O 1 ATOM 2556 C CB . MET B 2 54 ? -29.883 -23.153 20.187 1.00 28.89 ? 54 MET B CB 1 ATOM 2557 C CG . MET B 2 54 ? -29.308 -23.063 18.755 1.00 27.36 ? 54 MET B CG 1 ATOM 2558 S SD . MET B 2 54 ? -29.152 -24.712 18.140 1.00 39.02 ? 54 MET B SD 1 ATOM 2559 C CE . MET B 2 54 ? -27.745 -25.317 19.094 1.00 36.20 ? 54 MET B CE 1 ATOM 2560 N N . SER B 2 55 ? -30.697 -20.275 19.276 1.00 25.80 ? 55 SER B N 1 ATOM 2561 C CA . SER B 2 55 ? -31.670 -19.430 18.698 1.00 26.09 ? 55 SER B CA 1 ATOM 2562 C C . SER B 2 55 ? -31.435 -19.502 17.198 1.00 25.15 ? 55 SER B C 1 ATOM 2563 O O . SER B 2 55 ? -30.611 -20.283 16.743 1.00 24.52 ? 55 SER B O 1 ATOM 2564 C CB . SER B 2 55 ? -31.436 -18.025 19.245 1.00 26.39 ? 55 SER B CB 1 ATOM 2565 O OG . SER B 2 55 ? -32.485 -17.171 18.880 1.00 30.27 ? 55 SER B OG 1 ATOM 2566 N N . PHE B 2 56 ? -32.163 -18.700 16.434 1.00 25.08 ? 56 PHE B N 1 ATOM 2567 C CA . PHE B 2 56 ? -31.963 -18.634 15.004 1.00 25.09 ? 56 PHE B CA 1 ATOM 2568 C C . PHE B 2 56 ? -32.336 -17.265 14.444 1.00 26.84 ? 56 PHE B C 1 ATOM 2569 O O . PHE B 2 56 ? -33.128 -16.519 15.055 1.00 26.38 ? 56 PHE B O 1 ATOM 2570 C CB . PHE B 2 56 ? -32.670 -19.784 14.279 1.00 24.87 ? 56 PHE B CB 1 ATOM 2571 C CG . PHE B 2 56 ? -34.188 -19.782 14.404 1.00 25.03 ? 56 PHE B CG 1 ATOM 2572 C CD1 . PHE B 2 56 ? -34.964 -18.939 13.597 1.00 23.30 ? 56 PHE B CD1 1 ATOM 2573 C CD2 . PHE B 2 56 ? -34.833 -20.657 15.295 1.00 23.01 ? 56 PHE B CD2 1 ATOM 2574 C CE1 . PHE B 2 56 ? -36.371 -18.952 13.689 1.00 24.13 ? 56 PHE B CE1 1 ATOM 2575 C CE2 . PHE B 2 56 ? -36.225 -20.691 15.396 1.00 22.95 ? 56 PHE B CE2 1 ATOM 2576 C CZ . PHE B 2 56 ? -37.007 -19.840 14.591 1.00 23.43 ? 56 PHE B CZ 1 ATOM 2577 N N . SER B 2 57 ? -31.750 -16.958 13.284 1.00 27.96 ? 57 SER B N 1 ATOM 2578 C CA . SER B 2 57 ? -31.859 -15.651 12.638 1.00 30.34 ? 57 SER B CA 1 ATOM 2579 C C . SER B 2 57 ? -33.013 -15.589 11.683 1.00 31.60 ? 57 SER B C 1 ATOM 2580 O O . SER B 2 57 ? -33.690 -16.590 11.409 1.00 30.71 ? 57 SER B O 1 ATOM 2581 C CB . SER B 2 57 ? -30.607 -15.375 11.806 1.00 31.09 ? 57 SER B CB 1 ATOM 2582 O OG . SER B 2 57 ? -29.451 -15.426 12.627 1.00 36.86 ? 57 SER B OG 1 ATOM 2583 N N . LYS B 2 58 ? -33.163 -14.400 11.114 1.00 34.39 ? 58 LYS B N 1 ATOM 2584 C CA . LYS B 2 58 ? -34.114 -14.130 10.076 1.00 37.28 ? 58 LYS B CA 1 ATOM 2585 C C . LYS B 2 58 ? -34.003 -15.042 8.862 1.00 35.77 ? 58 LYS B C 1 ATOM 2586 O O . LYS B 2 58 ? -34.988 -15.285 8.249 1.00 37.25 ? 58 LYS B O 1 ATOM 2587 C CB . LYS B 2 58 ? -34.078 -12.639 9.684 1.00 41.31 ? 58 LYS B CB 1 ATOM 2588 C CG . LYS B 2 58 ? -35.284 -11.881 10.262 1.00 47.46 ? 58 LYS B CG 1 ATOM 2589 C CD . LYS B 2 58 ? -35.876 -10.801 9.307 1.00 56.14 ? 58 LYS B CD 1 ATOM 2590 C CE . LYS B 2 58 ? -35.175 -9.442 9.466 1.00 61.62 ? 58 LYS B CE 1 ATOM 2591 N NZ . LYS B 2 58 ? -35.876 -8.364 8.642 1.00 67.12 ? 58 LYS B NZ 1 ATOM 2592 N N . ASP B 2 59 ? -32.827 -15.545 8.529 1.00 34.77 ? 59 ASP B N 1 ATOM 2593 C CA . ASP B 2 59 ? -32.692 -16.526 7.450 1.00 35.81 ? 59 ASP B CA 1 ATOM 2594 C C . ASP B 2 59 ? -32.868 -17.984 7.913 1.00 32.72 ? 59 ASP B C 1 ATOM 2595 O O . ASP B 2 59 ? -32.569 -18.910 7.183 1.00 32.80 ? 59 ASP B O 1 ATOM 2596 C CB . ASP B 2 59 ? -31.355 -16.340 6.668 1.00 38.74 ? 59 ASP B CB 1 ATOM 2597 C CG . ASP B 2 59 ? -30.111 -16.738 7.481 1.00 39.90 ? 59 ASP B CG 1 ATOM 2598 O OD1 . ASP B 2 59 ? -30.246 -17.197 8.651 1.00 40.46 ? 59 ASP B OD1 1 ATOM 2599 O OD2 . ASP B 2 59 ? -28.981 -16.590 6.943 1.00 44.68 ? 59 ASP B OD2 1 ATOM 2600 N N . TRP B 2 60 ? -33.309 -18.169 9.152 1.00 30.44 ? 60 TRP B N 1 ATOM 2601 C CA . TRP B 2 60 ? -33.655 -19.476 9.696 1.00 28.40 ? 60 TRP B CA 1 ATOM 2602 C C . TRP B 2 60 ? -32.470 -20.321 10.145 1.00 28.38 ? 60 TRP B C 1 ATOM 2603 O O . TRP B 2 60 ? -32.679 -21.430 10.673 1.00 28.15 ? 60 TRP B O 1 ATOM 2604 C CB . TRP B 2 60 ? -34.525 -20.265 8.742 1.00 29.01 ? 60 TRP B CB 1 ATOM 2605 C CG . TRP B 2 60 ? -35.837 -19.616 8.405 1.00 28.59 ? 60 TRP B CG 1 ATOM 2606 C CD1 . TRP B 2 60 ? -36.137 -18.931 7.268 1.00 30.43 ? 60 TRP B CD1 1 ATOM 2607 C CD2 . TRP B 2 60 ? -37.024 -19.588 9.214 1.00 28.07 ? 60 TRP B CD2 1 ATOM 2608 N NE1 . TRP B 2 60 ? -37.424 -18.471 7.310 1.00 29.58 ? 60 TRP B NE1 1 ATOM 2609 C CE2 . TRP B 2 60 ? -38.000 -18.847 8.489 1.00 27.96 ? 60 TRP B CE2 1 ATOM 2610 C CE3 . TRP B 2 60 ? -37.363 -20.126 10.473 1.00 22.31 ? 60 TRP B CE3 1 ATOM 2611 C CZ2 . TRP B 2 60 ? -39.300 -18.638 8.964 1.00 27.84 ? 60 TRP B CZ2 1 ATOM 2612 C CZ3 . TRP B 2 60 ? -38.650 -19.919 10.953 1.00 24.55 ? 60 TRP B CZ3 1 ATOM 2613 C CH2 . TRP B 2 60 ? -39.614 -19.181 10.192 1.00 27.71 ? 60 TRP B CH2 1 ATOM 2614 N N . SER B 2 61 ? -31.250 -19.795 9.982 1.00 28.69 ? 61 SER B N 1 ATOM 2615 C CA . SER B 2 61 ? -30.035 -20.497 10.426 1.00 29.33 ? 61 SER B CA 1 ATOM 2616 C C . SER B 2 61 ? -29.772 -20.253 11.900 1.00 26.95 ? 61 SER B C 1 ATOM 2617 O O . SER B 2 61 ? -30.087 -19.182 12.435 1.00 25.78 ? 61 SER B O 1 ATOM 2618 C CB . SER B 2 61 ? -28.782 -20.078 9.605 1.00 32.36 ? 61 SER B CB 1 ATOM 2619 O OG . SER B 2 61 ? -28.390 -18.740 9.896 1.00 33.40 ? 61 SER B OG 1 ATOM 2620 N N . PHE B 2 62 ? -29.181 -21.256 12.536 1.00 26.18 ? 62 PHE B N 1 ATOM 2621 C CA . PHE B 2 62 ? -28.993 -21.298 13.982 1.00 25.11 ? 62 PHE B CA 1 ATOM 2622 C C . PHE B 2 62 ? -27.723 -20.587 14.436 1.00 26.25 ? 62 PHE B C 1 ATOM 2623 O O . PHE B 2 62 ? -26.750 -20.489 13.664 1.00 27.24 ? 62 PHE B O 1 ATOM 2624 C CB . PHE B 2 62 ? -28.979 -22.772 14.413 1.00 24.48 ? 62 PHE B CB 1 ATOM 2625 C CG . PHE B 2 62 ? -30.313 -23.451 14.233 1.00 25.68 ? 62 PHE B CG 1 ATOM 2626 C CD1 . PHE B 2 62 ? -30.596 -24.186 13.081 1.00 27.73 ? 62 PHE B CD1 1 ATOM 2627 C CD2 . PHE B 2 62 ? -31.318 -23.312 15.196 1.00 23.51 ? 62 PHE B CD2 1 ATOM 2628 C CE1 . PHE B 2 62 ? -31.857 -24.808 12.910 1.00 28.34 ? 62 PHE B CE1 1 ATOM 2629 C CE2 . PHE B 2 62 ? -32.568 -23.925 15.034 1.00 26.19 ? 62 PHE B CE2 1 ATOM 2630 C CZ . PHE B 2 62 ? -32.845 -24.678 13.878 1.00 24.60 ? 62 PHE B CZ 1 ATOM 2631 N N . TYR B 2 63 ? -27.725 -20.093 15.678 1.00 26.02 ? 63 TYR B N 1 ATOM 2632 C CA . TYR B 2 63 ? -26.540 -19.527 16.307 1.00 25.26 ? 63 TYR B CA 1 ATOM 2633 C C . TYR B 2 63 ? -26.571 -19.774 17.804 1.00 25.59 ? 63 TYR B C 1 ATOM 2634 O O . TYR B 2 63 ? -27.644 -19.980 18.368 1.00 25.55 ? 63 TYR B O 1 ATOM 2635 C CB . TYR B 2 63 ? -26.419 -18.032 16.026 1.00 26.77 ? 63 TYR B CB 1 ATOM 2636 C CG . TYR B 2 63 ? -27.527 -17.169 16.605 1.00 27.28 ? 63 TYR B CG 1 ATOM 2637 C CD1 . TYR B 2 63 ? -27.492 -16.741 17.924 1.00 29.69 ? 63 TYR B CD1 1 ATOM 2638 C CD2 . TYR B 2 63 ? -28.603 -16.775 15.810 1.00 28.27 ? 63 TYR B CD2 1 ATOM 2639 C CE1 . TYR B 2 63 ? -28.522 -15.933 18.453 1.00 31.71 ? 63 TYR B CE1 1 ATOM 2640 C CE2 . TYR B 2 63 ? -29.596 -15.979 16.295 1.00 33.39 ? 63 TYR B CE2 1 ATOM 2641 C CZ . TYR B 2 63 ? -29.561 -15.556 17.622 1.00 35.12 ? 63 TYR B CZ 1 ATOM 2642 O OH . TYR B 2 63 ? -30.606 -14.782 18.082 1.00 41.15 ? 63 TYR B OH 1 ATOM 2643 N N . ILE B 2 64 ? -25.391 -19.784 18.440 1.00 25.32 ? 64 ILE B N 1 ATOM 2644 C CA . ILE B 2 64 ? -25.253 -20.026 19.865 1.00 24.91 ? 64 ILE B CA 1 ATOM 2645 C C . ILE B 2 64 ? -23.942 -19.356 20.358 1.00 24.88 ? 64 ILE B C 1 ATOM 2646 O O . ILE B 2 64 ? -22.953 -19.248 19.605 1.00 24.55 ? 64 ILE B O 1 ATOM 2647 C CB . ILE B 2 64 ? -25.295 -21.550 20.178 1.00 26.99 ? 64 ILE B CB 1 ATOM 2648 C CG1 . ILE B 2 64 ? -25.350 -21.828 21.684 1.00 27.98 ? 64 ILE B CG1 1 ATOM 2649 C CG2 . ILE B 2 64 ? -24.110 -22.249 19.590 1.00 25.86 ? 64 ILE B CG2 1 ATOM 2650 C CD1 . ILE B 2 64 ? -25.941 -23.154 22.035 1.00 29.59 ? 64 ILE B CD1 1 ATOM 2651 N N . LEU B 2 65 ? -23.943 -18.888 21.601 1.00 23.77 ? 65 LEU B N 1 ATOM 2652 C CA . LEU B 2 65 ? -22.795 -18.194 22.134 1.00 24.31 ? 65 LEU B CA 1 ATOM 2653 C C . LEU B 2 65 ? -22.295 -18.980 23.323 1.00 25.80 ? 65 LEU B C 1 ATOM 2654 O O . LEU B 2 65 ? -23.052 -19.253 24.262 1.00 27.68 ? 65 LEU B O 1 ATOM 2655 C CB . LEU B 2 65 ? -23.135 -16.747 22.549 1.00 24.41 ? 65 LEU B CB 1 ATOM 2656 C CG . LEU B 2 65 ? -21.979 -15.981 23.218 1.00 26.54 ? 65 LEU B CG 1 ATOM 2657 C CD1 . LEU B 2 65 ? -20.829 -15.632 22.201 1.00 25.58 ? 65 LEU B CD1 1 ATOM 2658 C CD2 . LEU B 2 65 ? -22.487 -14.728 23.909 1.00 29.29 ? 65 LEU B CD2 1 ATOM 2659 N N . ALA B 2 66 ? -21.030 -19.377 23.275 1.00 26.24 ? 66 ALA B N 1 ATOM 2660 C CA . ALA B 2 66 ? -20.394 -20.003 24.428 1.00 27.17 ? 66 ALA B CA 1 ATOM 2661 C C . ALA B 2 66 ? -19.449 -18.947 24.933 1.00 27.47 ? 66 ALA B C 1 ATOM 2662 O O . ALA B 2 66 ? -18.911 -18.158 24.137 1.00 26.67 ? 66 ALA B O 1 ATOM 2663 C CB . ALA B 2 66 ? -19.604 -21.269 24.017 1.00 27.36 ? 66 ALA B CB 1 ATOM 2664 N N . HIS B 2 67 ? -19.245 -18.941 26.245 1.00 28.61 ? 67 HIS B N 1 ATOM 2665 C CA . HIS B 2 67 ? -18.296 -18.040 26.846 1.00 29.54 ? 67 HIS B CA 1 ATOM 2666 C C . HIS B 2 67 ? -17.750 -18.664 28.112 1.00 31.44 ? 67 HIS B C 1 ATOM 2667 O O . HIS B 2 67 ? -18.460 -19.432 28.755 1.00 31.84 ? 67 HIS B O 1 ATOM 2668 C CB . HIS B 2 67 ? -18.954 -16.684 27.150 1.00 30.36 ? 67 HIS B CB 1 ATOM 2669 C CG . HIS B 2 67 ? -19.967 -16.727 28.257 1.00 31.99 ? 67 HIS B CG 1 ATOM 2670 N ND1 . HIS B 2 67 ? -21.284 -17.085 28.049 1.00 32.24 ? 67 HIS B ND1 1 ATOM 2671 C CD2 . HIS B 2 67 ? -19.854 -16.447 29.584 1.00 34.05 ? 67 HIS B CD2 1 ATOM 2672 C CE1 . HIS B 2 67 ? -21.943 -17.008 29.195 1.00 33.92 ? 67 HIS B CE1 1 ATOM 2673 N NE2 . HIS B 2 67 ? -21.098 -16.621 30.138 1.00 35.85 ? 67 HIS B NE2 1 ATOM 2674 N N . THR B 2 68 ? -16.502 -18.311 28.454 1.00 32.01 ? 68 THR B N 1 ATOM 2675 C CA . THR B 2 68 ? -15.859 -18.754 29.685 1.00 34.54 ? 68 THR B CA 1 ATOM 2676 C C . THR B 2 68 ? -14.882 -17.714 30.265 1.00 36.17 ? 68 THR B C 1 ATOM 2677 O O . THR B 2 68 ? -14.287 -16.914 29.514 1.00 34.86 ? 68 THR B O 1 ATOM 2678 C CB . THR B 2 68 ? -15.134 -20.131 29.470 1.00 34.50 ? 68 THR B CB 1 ATOM 2679 O OG1 . THR B 2 68 ? -14.796 -20.703 30.725 1.00 39.97 ? 68 THR B OG1 1 ATOM 2680 C CG2 . THR B 2 68 ? -13.884 -20.009 28.641 1.00 32.51 ? 68 THR B CG2 1 ATOM 2681 N N . GLU B 2 69 ? -14.726 -17.726 31.594 1.00 38.98 ? 69 GLU B N 1 ATOM 2682 C CA . GLU B 2 69 ? -13.671 -16.962 32.260 1.00 41.82 ? 69 GLU B CA 1 ATOM 2683 C C . GLU B 2 69 ? -12.319 -17.452 31.787 1.00 41.14 ? 69 GLU B C 1 ATOM 2684 O O . GLU B 2 69 ? -12.133 -18.654 31.566 1.00 41.69 ? 69 GLU B O 1 ATOM 2685 C CB . GLU B 2 69 ? -13.709 -17.156 33.773 1.00 45.56 ? 69 GLU B CB 1 ATOM 2686 C CG . GLU B 2 69 ? -14.757 -16.326 34.487 1.00 51.51 ? 69 GLU B CG 1 ATOM 2687 C CD . GLU B 2 69 ? -14.758 -16.545 36.004 1.00 60.60 ? 69 GLU B CD 1 ATOM 2688 O OE1 . GLU B 2 69 ? -13.721 -16.980 36.585 1.00 63.11 ? 69 GLU B OE1 1 ATOM 2689 O OE2 . GLU B 2 69 ? -15.817 -16.272 36.613 1.00 64.80 ? 69 GLU B OE2 1 ATOM 2690 N N . PHE B 2 70 ? -11.379 -16.533 31.638 1.00 40.66 ? 70 PHE B N 1 ATOM 2691 C CA . PHE B 2 70 ? -10.017 -16.889 31.300 1.00 40.52 ? 70 PHE B CA 1 ATOM 2692 C C . PHE B 2 70 ? -9.075 -15.755 31.625 1.00 42.75 ? 70 PHE B C 1 ATOM 2693 O O . PHE B 2 70 ? -9.481 -14.606 31.740 1.00 43.14 ? 70 PHE B O 1 ATOM 2694 C CB . PHE B 2 70 ? -9.879 -17.295 29.820 1.00 38.13 ? 70 PHE B CB 1 ATOM 2695 C CG . PHE B 2 70 ? -9.681 -16.137 28.852 1.00 36.42 ? 70 PHE B CG 1 ATOM 2696 C CD1 . PHE B 2 70 ? -10.581 -15.064 28.800 1.00 32.05 ? 70 PHE B CD1 1 ATOM 2697 C CD2 . PHE B 2 70 ? -8.611 -16.161 27.949 1.00 35.58 ? 70 PHE B CD2 1 ATOM 2698 C CE1 . PHE B 2 70 ? -10.407 -14.029 27.874 1.00 34.72 ? 70 PHE B CE1 1 ATOM 2699 C CE2 . PHE B 2 70 ? -8.421 -15.125 27.023 1.00 36.09 ? 70 PHE B CE2 1 ATOM 2700 C CZ . PHE B 2 70 ? -9.330 -14.058 26.978 1.00 35.86 ? 70 PHE B CZ 1 ATOM 2701 N N . THR B 2 71 ? -7.809 -16.113 31.759 1.00 44.93 ? 71 THR B N 1 ATOM 2702 C CA . THR B 2 71 ? -6.745 -15.174 31.952 1.00 47.43 ? 71 THR B CA 1 ATOM 2703 C C . THR B 2 71 ? -5.761 -15.420 30.823 1.00 47.39 ? 71 THR B C 1 ATOM 2704 O O . THR B 2 71 ? -5.156 -16.483 30.757 1.00 49.03 ? 71 THR B O 1 ATOM 2705 C CB . THR B 2 71 ? -6.103 -15.386 33.319 1.00 49.86 ? 71 THR B CB 1 ATOM 2706 O OG1 . THR B 2 71 ? -7.122 -15.212 34.311 1.00 51.71 ? 71 THR B OG1 1 ATOM 2707 C CG2 . THR B 2 71 ? -4.990 -14.365 33.564 1.00 51.71 ? 71 THR B CG2 1 ATOM 2708 N N . PRO B 2 72 ? -5.621 -14.446 29.909 1.00 47.38 ? 72 PRO B N 1 ATOM 2709 C CA . PRO B 2 72 ? -4.591 -14.571 28.879 1.00 47.91 ? 72 PRO B CA 1 ATOM 2710 C C . PRO B 2 72 ? -3.189 -14.504 29.488 1.00 50.37 ? 72 PRO B C 1 ATOM 2711 O O . PRO B 2 72 ? -2.959 -13.791 30.472 1.00 51.83 ? 72 PRO B O 1 ATOM 2712 C CB . PRO B 2 72 ? -4.818 -13.339 28.001 1.00 48.30 ? 72 PRO B CB 1 ATOM 2713 C CG . PRO B 2 72 ? -6.110 -12.720 28.471 1.00 47.16 ? 72 PRO B CG 1 ATOM 2714 C CD . PRO B 2 72 ? -6.296 -13.135 29.873 1.00 47.09 ? 72 PRO B CD 1 ATOM 2715 N N . THR B 2 73 ? -2.262 -15.250 28.910 1.00 51.32 ? 73 THR B N 1 ATOM 2716 C CA . THR B 2 73 ? -0.860 -15.158 29.281 1.00 54.00 ? 73 THR B CA 1 ATOM 2717 C C . THR B 2 73 ? -0.071 -15.161 27.983 1.00 55.91 ? 73 THR B C 1 ATOM 2718 O O . THR B 2 73 ? -0.646 -15.349 26.908 1.00 55.06 ? 73 THR B O 1 ATOM 2719 C CB . THR B 2 73 ? -0.407 -16.328 30.164 1.00 54.39 ? 73 THR B CB 1 ATOM 2720 O OG1 . THR B 2 73 ? -0.545 -17.544 29.431 1.00 55.58 ? 73 THR B OG1 1 ATOM 2721 C CG2 . THR B 2 73 ? -1.229 -16.423 31.445 1.00 53.35 ? 73 THR B CG2 1 ATOM 2722 N N . GLU B 2 74 ? 1.233 -14.944 28.077 1.00 58.94 ? 74 GLU B N 1 ATOM 2723 C CA . GLU B 2 74 ? 2.101 -14.970 26.914 1.00 62.30 ? 74 GLU B CA 1 ATOM 2724 C C . GLU B 2 74 ? 2.134 -16.363 26.243 1.00 62.69 ? 74 GLU B C 1 ATOM 2725 O O . GLU B 2 74 ? 2.332 -16.460 25.029 1.00 64.67 ? 74 GLU B O 1 ATOM 2726 C CB . GLU B 2 74 ? 3.527 -14.522 27.321 1.00 66.03 ? 74 GLU B CB 1 ATOM 2727 C CG . GLU B 2 74 ? 4.248 -13.669 26.281 1.00 70.64 ? 74 GLU B CG 1 ATOM 2728 C CD . GLU B 2 74 ? 5.679 -13.281 26.685 1.00 78.25 ? 74 GLU B CD 1 ATOM 2729 O OE1 . GLU B 2 74 ? 6.088 -13.503 27.852 1.00 79.57 ? 74 GLU B OE1 1 ATOM 2730 O OE2 . GLU B 2 74 ? 6.411 -12.746 25.820 1.00 82.45 ? 74 GLU B OE2 1 ATOM 2731 N N . THR B 2 75 ? 1.908 -17.427 27.018 1.00 61.73 ? 75 THR B N 1 ATOM 2732 C CA . THR B 2 75 ? 2.172 -18.800 26.567 1.00 62.93 ? 75 THR B CA 1 ATOM 2733 C C . THR B 2 75 ? 0.958 -19.733 26.378 1.00 60.46 ? 75 THR B C 1 ATOM 2734 O O . THR B 2 75 ? 1.086 -20.804 25.720 1.00 62.31 ? 75 THR B O 1 ATOM 2735 C CB . THR B 2 75 ? 3.145 -19.523 27.532 1.00 65.30 ? 75 THR B CB 1 ATOM 2736 O OG1 . THR B 2 75 ? 2.855 -19.127 28.881 1.00 64.81 ? 75 THR B OG1 1 ATOM 2737 C CG2 . THR B 2 75 ? 4.596 -19.180 27.198 1.00 69.37 ? 75 THR B CG2 1 ATOM 2738 N N . ASP B 2 76 ? -0.183 -19.377 26.976 1.00 56.20 ? 76 ASP B N 1 ATOM 2739 C CA . ASP B 2 76 ? -1.359 -20.247 26.932 1.00 53.03 ? 76 ASP B CA 1 ATOM 2740 C C . ASP B 2 76 ? -2.143 -20.012 25.650 1.00 50.59 ? 76 ASP B C 1 ATOM 2741 O O . ASP B 2 76 ? -2.381 -18.874 25.270 1.00 48.92 ? 76 ASP B O 1 ATOM 2742 C CB . ASP B 2 76 ? -2.270 -20.042 28.157 1.00 51.37 ? 76 ASP B CB 1 ATOM 2743 C CG . ASP B 2 76 ? -1.661 -20.575 29.457 1.00 54.83 ? 76 ASP B CG 1 ATOM 2744 O OD1 . ASP B 2 76 ? -1.078 -21.699 29.478 1.00 57.49 ? 76 ASP B OD1 1 ATOM 2745 O OD2 . ASP B 2 76 ? -1.780 -19.857 30.483 1.00 56.15 ? 76 ASP B OD2 1 ATOM 2746 N N . THR B 2 77 ? -2.535 -21.087 24.977 1.00 49.92 ? 77 THR B N 1 ATOM 2747 C CA . THR B 2 77 ? -3.383 -20.946 23.785 1.00 48.41 ? 77 THR B CA 1 ATOM 2748 C C . THR B 2 77 ? -4.852 -21.263 24.116 1.00 44.82 ? 77 THR B C 1 ATOM 2749 O O . THR B 2 77 ? -5.148 -22.105 24.969 1.00 45.20 ? 77 THR B O 1 ATOM 2750 C CB . THR B 2 77 ? -2.881 -21.805 22.593 1.00 51.11 ? 77 THR B CB 1 ATOM 2751 O OG1 . THR B 2 77 ? -3.024 -23.190 22.913 1.00 53.86 ? 77 THR B OG1 1 ATOM 2752 C CG2 . THR B 2 77 ? -1.394 -21.523 22.281 1.00 53.43 ? 77 THR B CG2 1 ATOM 2753 N N . TYR B 2 78 ? -5.765 -20.575 23.445 1.00 42.11 ? 78 TYR B N 1 ATOM 2754 C CA . TYR B 2 78 ? -7.199 -20.761 23.657 1.00 39.08 ? 78 TYR B CA 1 ATOM 2755 C C . TYR B 2 78 ? -7.830 -21.019 22.330 1.00 38.70 ? 78 TYR B C 1 ATOM 2756 O O . TYR B 2 78 ? -7.450 -20.393 21.328 1.00 40.44 ? 78 TYR B O 1 ATOM 2757 C CB . TYR B 2 78 ? -7.832 -19.531 24.320 1.00 36.37 ? 78 TYR B CB 1 ATOM 2758 C CG . TYR B 2 78 ? -7.360 -19.373 25.727 1.00 37.24 ? 78 TYR B CG 1 ATOM 2759 C CD1 . TYR B 2 78 ? -6.204 -18.629 26.005 1.00 38.42 ? 78 TYR B CD1 1 ATOM 2760 C CD2 . TYR B 2 78 ? -8.007 -20.029 26.785 1.00 34.76 ? 78 TYR B CD2 1 ATOM 2761 C CE1 . TYR B 2 78 ? -5.730 -18.504 27.292 1.00 39.28 ? 78 TYR B CE1 1 ATOM 2762 C CE2 . TYR B 2 78 ? -7.533 -19.918 28.086 1.00 36.65 ? 78 TYR B CE2 1 ATOM 2763 C CZ . TYR B 2 78 ? -6.385 -19.148 28.331 1.00 39.47 ? 78 TYR B CZ 1 ATOM 2764 O OH . TYR B 2 78 ? -5.874 -19.003 29.599 1.00 40.61 ? 78 TYR B OH 1 ATOM 2765 N N . ALA B 2 79 ? -8.774 -21.952 22.308 1.00 37.36 ? 79 ALA B N 1 ATOM 2766 C CA . ALA B 2 79 ? -9.408 -22.345 21.060 1.00 37.43 ? 79 ALA B CA 1 ATOM 2767 C C . ALA B 2 79 ? -10.856 -22.738 21.294 1.00 36.48 ? 79 ALA B C 1 ATOM 2768 O O . ALA B 2 79 ? -11.266 -22.988 22.447 1.00 35.57 ? 79 ALA B O 1 ATOM 2769 C CB . ALA B 2 79 ? -8.637 -23.473 20.396 1.00 39.35 ? 79 ALA B CB 1 ATOM 2770 N N . CYS B 2 80 ? -11.620 -22.782 20.203 1.00 36.29 ? 80 CYS B N 1 ATOM 2771 C CA . CYS B 2 80 ? -13.000 -23.257 20.231 1.00 36.06 ? 80 CYS B CA 1 ATOM 2772 C C . CYS B 2 80 ? -13.113 -24.335 19.189 1.00 37.05 ? 80 CYS B C 1 ATOM 2773 O O . CYS B 2 80 ? -12.844 -24.065 18.019 1.00 38.15 ? 80 CYS B O 1 ATOM 2774 C CB . CYS B 2 80 ? -13.952 -22.117 19.885 1.00 34.07 ? 80 CYS B CB 1 ATOM 2775 S SG . CYS B 2 80 ? -15.724 -22.506 20.058 1.00 38.30 ? 80 CYS B SG 1 ATOM 2776 N N . ARG B 2 81 ? -13.486 -25.542 19.624 1.00 37.23 ? 81 ARG B N 1 ATOM 2777 C CA . ARG B 2 81 ? -13.607 -26.713 18.767 1.00 39.39 ? 81 ARG B CA 1 ATOM 2778 C C . ARG B 2 81 ? -15.071 -27.053 18.526 1.00 38.30 ? 81 ARG B C 1 ATOM 2779 O O . ARG B 2 81 ? -15.862 -27.097 19.479 1.00 36.59 ? 81 ARG B O 1 ATOM 2780 C CB . ARG B 2 81 ? -12.906 -27.919 19.386 1.00 42.17 ? 81 ARG B CB 1 ATOM 2781 C CG . ARG B 2 81 ? -12.633 -29.049 18.397 1.00 47.15 ? 81 ARG B CG 1 ATOM 2782 C CD . ARG B 2 81 ? -11.702 -30.105 18.998 1.00 54.91 ? 81 ARG B CD 1 ATOM 2783 N NE . ARG B 2 81 ? -10.840 -30.761 18.005 1.00 63.74 ? 81 ARG B NE 1 ATOM 2784 C CZ . ARG B 2 81 ? -9.494 -30.718 17.993 1.00 70.00 ? 81 ARG B CZ 1 ATOM 2785 N NH1 . ARG B 2 81 ? -8.797 -30.038 18.928 1.00 65.90 ? 81 ARG B NH1 1 ATOM 2786 N NH2 . ARG B 2 81 ? -8.835 -31.373 17.032 1.00 73.66 ? 81 ARG B NH2 1 ATOM 2787 N N . VAL B 2 82 ? -15.413 -27.296 17.256 1.00 39.56 ? 82 VAL B N 1 ATOM 2788 C CA . VAL B 2 82 ? -16.796 -27.537 16.823 1.00 39.13 ? 82 VAL B CA 1 ATOM 2789 C C . VAL B 2 82 ? -16.943 -28.805 16.007 1.00 43.48 ? 82 VAL B C 1 ATOM 2790 O O . VAL B 2 82 ? -16.174 -29.053 15.062 1.00 47.18 ? 82 VAL B O 1 ATOM 2791 C CB . VAL B 2 82 ? -17.423 -26.307 16.055 1.00 37.71 ? 82 VAL B CB 1 ATOM 2792 C CG1 . VAL B 2 82 ? -18.839 -26.618 15.491 1.00 35.87 ? 82 VAL B CG1 1 ATOM 2793 C CG2 . VAL B 2 82 ? -17.493 -25.084 16.947 1.00 32.07 ? 82 VAL B CG2 1 ATOM 2794 N N . LYS B 2 83 ? -17.909 -29.631 16.408 1.00 44.49 ? 83 LYS B N 1 ATOM 2795 C CA . LYS B 2 83 ? -18.296 -30.825 15.666 1.00 48.36 ? 83 LYS B CA 1 ATOM 2796 C C . LYS B 2 83 ? -19.713 -30.574 15.198 1.00 46.58 ? 83 LYS B C 1 ATOM 2797 O O . LYS B 2 83 ? -20.569 -30.116 15.978 1.00 44.35 ? 83 LYS B O 1 ATOM 2798 C CB . LYS B 2 83 ? -18.274 -32.083 16.546 1.00 51.35 ? 83 LYS B CB 1 ATOM 2799 C CG . LYS B 2 83 ? -16.936 -32.795 16.642 1.00 57.72 ? 83 LYS B CG 1 ATOM 2800 C CD . LYS B 2 83 ? -16.868 -33.729 17.873 1.00 63.38 ? 83 LYS B CD 1 ATOM 2801 C CE . LYS B 2 83 ? -15.438 -33.835 18.392 1.00 67.47 ? 83 LYS B CE 1 ATOM 2802 N NZ . LYS B 2 83 ? -15.325 -33.878 19.894 1.00 68.85 ? 83 LYS B NZ 1 ATOM 2803 N N . HIS B 2 84 ? -19.943 -30.856 13.922 1.00 47.87 ? 84 HIS B N 1 ATOM 2804 C CA . HIS B 2 84 ? -21.234 -30.699 13.286 1.00 46.46 ? 84 HIS B CA 1 ATOM 2805 C C . HIS B 2 84 ? -21.233 -31.625 12.084 1.00 50.41 ? 84 HIS B C 1 ATOM 2806 O O . HIS B 2 84 ? -20.170 -31.859 11.479 1.00 52.72 ? 84 HIS B O 1 ATOM 2807 C CB . HIS B 2 84 ? -21.422 -29.263 12.818 1.00 42.94 ? 84 HIS B CB 1 ATOM 2808 C CG . HIS B 2 84 ? -22.807 -28.960 12.347 1.00 43.35 ? 84 HIS B CG 1 ATOM 2809 N ND1 . HIS B 2 84 ? -23.110 -28.742 11.022 1.00 46.52 ? 84 HIS B ND1 1 ATOM 2810 C CD2 . HIS B 2 84 ? -23.973 -28.825 13.027 1.00 42.01 ? 84 HIS B CD2 1 ATOM 2811 C CE1 . HIS B 2 84 ? -24.404 -28.496 10.902 1.00 45.05 ? 84 HIS B CE1 1 ATOM 2812 N NE2 . HIS B 2 84 ? -24.949 -28.538 12.104 1.00 42.34 ? 84 HIS B NE2 1 ATOM 2813 N N . ALA B 2 85 ? -22.422 -32.116 11.730 1.00 50.77 ? 85 ALA B N 1 ATOM 2814 C CA . ALA B 2 85 ? -22.591 -33.176 10.719 1.00 55.57 ? 85 ALA B CA 1 ATOM 2815 C C . ALA B 2 85 ? -22.186 -32.728 9.316 1.00 57.47 ? 85 ALA B C 1 ATOM 2816 O O . ALA B 2 85 ? -21.838 -33.549 8.475 1.00 62.19 ? 85 ALA B O 1 ATOM 2817 C CB . ALA B 2 85 ? -24.033 -33.700 10.731 1.00 55.03 ? 85 ALA B CB 1 ATOM 2818 N N . SER B 2 86 ? -22.232 -31.416 9.085 1.00 55.33 ? 86 SER B N 1 ATOM 2819 C CA . SER B 2 86 ? -21.797 -30.802 7.822 1.00 57.47 ? 86 SER B CA 1 ATOM 2820 C C . SER B 2 86 ? -20.288 -30.931 7.602 1.00 60.83 ? 86 SER B C 1 ATOM 2821 O O . SER B 2 86 ? -19.787 -30.710 6.494 1.00 64.87 ? 86 SER B O 1 ATOM 2822 C CB . SER B 2 86 ? -22.211 -29.322 7.776 1.00 53.62 ? 86 SER B CB 1 ATOM 2823 O OG . SER B 2 86 ? -21.637 -28.600 8.853 1.00 49.81 ? 86 SER B OG 1 ATOM 2824 N N . MET B 2 87 ? -19.562 -31.323 8.640 1.00 60.32 ? 87 MET B N 1 ATOM 2825 C CA . MET B 2 87 ? -18.117 -31.450 8.535 1.00 62.90 ? 87 MET B CA 1 ATOM 2826 C C . MET B 2 87 ? -17.659 -32.855 8.861 1.00 66.85 ? 87 MET B C 1 ATOM 2827 O O . MET B 2 87 ? -18.206 -33.498 9.760 1.00 65.69 ? 87 MET B O 1 ATOM 2828 C CB . MET B 2 87 ? -17.430 -30.443 9.450 1.00 59.42 ? 87 MET B CB 1 ATOM 2829 C CG . MET B 2 87 ? -17.883 -29.014 9.224 1.00 56.01 ? 87 MET B CG 1 ATOM 2830 S SD . MET B 2 87 ? -17.023 -27.839 10.279 1.00 60.30 ? 87 MET B SD 1 ATOM 2831 C CE . MET B 2 87 ? -17.404 -28.415 11.952 1.00 52.30 ? 87 MET B CE 1 ATOM 2832 N N . ALA B 2 88 ? -16.672 -33.325 8.093 1.00 71.81 ? 88 ALA B N 1 ATOM 2833 C CA . ALA B 2 88 ? -16.054 -34.627 8.291 1.00 76.69 ? 88 ALA B CA 1 ATOM 2834 C C . ALA B 2 88 ? -15.125 -34.597 9.494 1.00 75.52 ? 88 ALA B C 1 ATOM 2835 O O . ALA B 2 88 ? -14.989 -35.592 10.199 1.00 77.68 ? 88 ALA B O 1 ATOM 2836 C CB . ALA B 2 88 ? -15.272 -35.029 7.059 1.00 82.96 ? 88 ALA B CB 1 ATOM 2837 N N . GLU B 2 89 ? -14.473 -33.456 9.707 1.00 72.49 ? 89 GLU B N 1 ATOM 2838 C CA . GLU B 2 89 ? -13.547 -33.298 10.819 1.00 71.09 ? 89 GLU B CA 1 ATOM 2839 C C . GLU B 2 89 ? -13.963 -32.114 11.653 1.00 64.76 ? 89 GLU B C 1 ATOM 2840 O O . GLU B 2 89 ? -14.437 -31.125 11.112 1.00 62.01 ? 89 GLU B O 1 ATOM 2841 C CB . GLU B 2 89 ? -12.106 -33.105 10.316 1.00 75.21 ? 89 GLU B CB 1 ATOM 2842 N N . PRO B 2 90 ? -13.762 -32.202 12.979 1.00 62.82 ? 90 PRO B N 1 ATOM 2843 C CA . PRO B 2 90 ? -13.998 -31.081 13.855 1.00 57.09 ? 90 PRO B CA 1 ATOM 2844 C C . PRO B 2 90 ? -13.177 -29.876 13.415 1.00 56.17 ? 90 PRO B C 1 ATOM 2845 O O . PRO B 2 90 ? -12.029 -30.037 12.984 1.00 59.28 ? 90 PRO B O 1 ATOM 2846 C CB . PRO B 2 90 ? -13.476 -31.580 15.207 1.00 57.37 ? 90 PRO B CB 1 ATOM 2847 C CG . PRO B 2 90 ? -13.475 -33.033 15.115 1.00 62.46 ? 90 PRO B CG 1 ATOM 2848 C CD . PRO B 2 90 ? -13.106 -33.313 13.696 1.00 66.39 ? 90 PRO B CD 1 ATOM 2849 N N . LYS B 2 91 ? -13.768 -28.685 13.505 1.00 51.90 ? 91 LYS B N 1 ATOM 2850 C CA . LYS B 2 91 ? -13.036 -27.457 13.225 1.00 51.36 ? 91 LYS B CA 1 ATOM 2851 C C . LYS B 2 91 ? -12.640 -26.737 14.514 1.00 47.42 ? 91 LYS B C 1 ATOM 2852 O O . LYS B 2 91 ? -13.459 -26.485 15.422 1.00 43.04 ? 91 LYS B O 1 ATOM 2853 C CB . LYS B 2 91 ? -13.820 -26.502 12.302 1.00 50.75 ? 91 LYS B CB 1 ATOM 2854 C CG . LYS B 2 91 ? -12.910 -25.365 11.726 1.00 55.83 ? 91 LYS B CG 1 ATOM 2855 C CD . LYS B 2 91 ? -13.477 -24.675 10.453 1.00 62.86 ? 91 LYS B CD 1 ATOM 2856 C CE . LYS B 2 91 ? -14.717 -23.807 10.753 1.00 61.09 ? 91 LYS B CE 1 ATOM 2857 N NZ . LYS B 2 91 ? -15.559 -23.555 9.526 1.00 65.37 ? 91 LYS B NZ 1 ATOM 2858 N N . THR B 2 92 ? -11.373 -26.388 14.566 1.00 48.52 ? 92 THR B N 1 ATOM 2859 C CA . THR B 2 92 ? -10.834 -25.664 15.685 1.00 46.72 ? 92 THR B CA 1 ATOM 2860 C C . THR B 2 92 ? -10.442 -24.264 15.203 1.00 45.69 ? 92 THR B C 1 ATOM 2861 O O . THR B 2 92 ? -9.654 -24.125 14.264 1.00 48.59 ? 92 THR B O 1 ATOM 2862 C CB . THR B 2 92 ? -9.590 -26.400 16.265 1.00 49.80 ? 92 THR B CB 1 ATOM 2863 O OG1 . THR B 2 92 ? -9.926 -27.765 16.542 1.00 51.33 ? 92 THR B OG1 1 ATOM 2864 C CG2 . THR B 2 92 ? -9.106 -25.712 17.547 1.00 47.66 ? 92 THR B CG2 1 ATOM 2865 N N . VAL B 2 93 ? -10.994 -23.248 15.850 1.00 41.66 ? 93 VAL B N 1 ATOM 2866 C CA . VAL B 2 93 ? -10.591 -21.874 15.625 1.00 41.80 ? 93 VAL B CA 1 ATOM 2867 C C . VAL B 2 93 ? -9.910 -21.403 16.892 1.00 41.02 ? 93 VAL B C 1 ATOM 2868 O O . VAL B 2 93 ? -10.469 -21.514 17.980 1.00 38.69 ? 93 VAL B O 1 ATOM 2869 C CB . VAL B 2 93 ? -11.791 -20.950 15.234 1.00 39.31 ? 93 VAL B CB 1 ATOM 2870 C CG1 . VAL B 2 93 ? -11.385 -19.487 15.254 1.00 38.86 ? 93 VAL B CG1 1 ATOM 2871 C CG2 . VAL B 2 93 ? -12.286 -21.316 13.829 1.00 42.39 ? 93 VAL B CG2 1 ATOM 2872 N N . TYR B 2 94 ? -8.694 -20.888 16.732 1.00 44.32 ? 94 TYR B N 1 ATOM 2873 C CA . TYR B 2 94 ? -7.872 -20.383 17.828 1.00 44.63 ? 94 TYR B CA 1 ATOM 2874 C C . TYR B 2 94 ? -8.143 -18.917 18.126 1.00 44.42 ? 94 TYR B C 1 ATOM 2875 O O . TYR B 2 94 ? -8.324 -18.115 17.217 1.00 45.36 ? 94 TYR B O 1 ATOM 2876 C CB . TYR B 2 94 ? -6.392 -20.553 17.463 1.00 47.84 ? 94 TYR B CB 1 ATOM 2877 C CG . TYR B 2 94 ? -5.911 -21.975 17.612 1.00 49.31 ? 94 TYR B CG 1 ATOM 2878 C CD1 . TYR B 2 94 ? -6.017 -22.884 16.558 1.00 51.81 ? 94 TYR B CD1 1 ATOM 2879 C CD2 . TYR B 2 94 ? -5.397 -22.426 18.824 1.00 47.78 ? 94 TYR B CD2 1 ATOM 2880 C CE1 . TYR B 2 94 ? -5.596 -24.206 16.707 1.00 54.98 ? 94 TYR B CE1 1 ATOM 2881 C CE2 . TYR B 2 94 ? -4.985 -23.726 18.985 1.00 51.57 ? 94 TYR B CE2 1 ATOM 2882 C CZ . TYR B 2 94 ? -5.081 -24.619 17.928 1.00 55.28 ? 94 TYR B CZ 1 ATOM 2883 O OH . TYR B 2 94 ? -4.634 -25.918 18.095 1.00 58.96 ? 94 TYR B OH 1 ATOM 2884 N N . TRP B 2 95 ? -8.134 -18.556 19.399 1.00 44.58 ? 95 TRP B N 1 ATOM 2885 C CA . TRP B 2 95 ? -8.119 -17.148 19.757 1.00 46.31 ? 95 TRP B CA 1 ATOM 2886 C C . TRP B 2 95 ? -6.804 -16.486 19.320 1.00 52.45 ? 95 TRP B C 1 ATOM 2887 O O . TRP B 2 95 ? -5.709 -16.933 19.685 1.00 53.22 ? 95 TRP B O 1 ATOM 2888 C CB . TRP B 2 95 ? -8.355 -16.958 21.250 1.00 43.13 ? 95 TRP B CB 1 ATOM 2889 C CG . TRP B 2 95 ? -8.336 -15.517 21.705 1.00 41.88 ? 95 TRP B CG 1 ATOM 2890 C CD1 . TRP B 2 95 ? -9.148 -14.495 21.269 1.00 40.55 ? 95 TRP B CD1 1 ATOM 2891 C CD2 . TRP B 2 95 ? -7.486 -14.950 22.706 1.00 42.08 ? 95 TRP B CD2 1 ATOM 2892 N NE1 . TRP B 2 95 ? -8.833 -13.329 21.921 1.00 41.74 ? 95 TRP B NE1 1 ATOM 2893 C CE2 . TRP B 2 95 ? -7.818 -13.578 22.810 1.00 43.22 ? 95 TRP B CE2 1 ATOM 2894 C CE3 . TRP B 2 95 ? -6.456 -15.465 23.515 1.00 43.50 ? 95 TRP B CE3 1 ATOM 2895 C CZ2 . TRP B 2 95 ? -7.170 -12.716 23.707 1.00 44.49 ? 95 TRP B CZ2 1 ATOM 2896 C CZ3 . TRP B 2 95 ? -5.800 -14.605 24.400 1.00 44.17 ? 95 TRP B CZ3 1 ATOM 2897 C CH2 . TRP B 2 95 ? -6.157 -13.251 24.489 1.00 45.57 ? 95 TRP B CH2 1 ATOM 2898 N N . ASP B 2 96 ? -6.932 -15.445 18.498 1.00 57.97 ? 96 ASP B N 1 ATOM 2899 C CA . ASP B 2 96 ? -5.798 -14.613 18.156 1.00 65.33 ? 96 ASP B CA 1 ATOM 2900 C C . ASP B 2 96 ? -5.830 -13.290 18.933 1.00 68.81 ? 96 ASP B C 1 ATOM 2901 O O . ASP B 2 96 ? -5.440 -13.269 20.099 1.00 67.88 ? 96 ASP B O 1 ATOM 2902 C CB . ASP B 2 96 ? -5.655 -14.387 16.654 1.00 68.03 ? 96 ASP B CB 1 ATOM 2903 C CG . ASP B 2 96 ? -4.364 -13.634 16.307 1.00 72.51 ? 96 ASP B CG 1 ATOM 2904 O OD1 . ASP B 2 96 ? -3.838 -12.914 17.192 1.00 69.78 ? 96 ASP B OD1 1 ATOM 2905 O OD2 . ASP B 2 96 ? -3.872 -13.761 15.164 1.00 75.43 ? 96 ASP B OD2 1 ATOM 2906 N N . ARG B 2 97 ? -6.281 -12.192 18.312 1.00 42.04 ? 97 ARG B N 1 ATOM 2907 C CA . ARG B 2 97 ? -6.035 -10.833 18.912 1.00 46.02 ? 97 ARG B CA 1 ATOM 2908 C C . ARG B 2 97 ? -5.678 -9.802 17.829 1.00 46.59 ? 97 ARG B C 1 ATOM 2909 O O . ARG B 2 97 ? -4.498 -9.701 17.435 1.00 47.54 ? 97 ARG B O 1 ATOM 2910 C CB . ARG B 2 97 ? -4.840 -10.864 19.884 1.00 46.65 ? 97 ARG B CB 1 ATOM 2911 C CG . ARG B 2 97 ? -5.092 -11.095 21.365 1.00 49.64 ? 97 ARG B CG 1 ATOM 2912 C CD . ARG B 2 97 ? -3.793 -10.736 22.159 1.00 55.26 ? 97 ARG B CD 1 ATOM 2913 N NE . ARG B 2 97 ? -3.293 -11.860 22.969 1.00 59.28 ? 97 ARG B NE 1 ATOM 2914 C CZ . ARG B 2 97 ? -2.695 -11.770 24.171 1.00 59.65 ? 97 ARG B CZ 1 ATOM 2915 N NH1 . ARG B 2 97 ? -2.509 -10.595 24.778 1.00 56.32 ? 97 ARG B NH1 1 ATOM 2916 N NH2 . ARG B 2 97 ? -2.303 -12.889 24.789 1.00 59.70 ? 97 ARG B NH2 1 ATOM 2917 N N . THR C 3 3 ? -57.383 -44.881 31.724 1.00 50.68 ? 1 THR C N 1 ATOM 2918 C CA . THR C 3 3 ? -58.810 -44.632 31.352 1.00 47.37 ? 1 THR C CA 1 ATOM 2919 C C . THR C 3 3 ? -59.230 -43.188 31.626 1.00 44.24 ? 1 THR C C 1 ATOM 2920 O O . THR C 3 3 ? -59.528 -42.811 32.763 1.00 45.43 ? 1 THR C O 1 ATOM 2921 C CB . THR C 3 3 ? -59.742 -45.577 32.097 1.00 49.06 ? 1 THR C CB 1 ATOM 2922 O OG1 . THR C 3 3 ? -61.095 -45.143 31.900 1.00 48.45 ? 1 THR C OG1 1 ATOM 2923 C CG2 . THR C 3 3 ? -59.392 -45.610 33.614 1.00 52.37 ? 1 THR C CG2 1 ATOM 2924 N N . GLN C 3 4 ? -59.313 -42.408 30.558 1.00 40.23 ? 2 GLN C N 1 ATOM 2925 C CA . GLN C 3 4 ? -59.529 -40.984 30.643 1.00 36.90 ? 2 GLN C CA 1 ATOM 2926 C C . GLN C 3 4 ? -60.983 -40.528 30.515 1.00 32.66 ? 2 GLN C C 1 ATOM 2927 O O . GLN C 3 4 ? -61.266 -39.340 30.592 1.00 31.18 ? 2 GLN C O 1 ATOM 2928 C CB . GLN C 3 4 ? -58.701 -40.319 29.554 1.00 36.78 ? 2 GLN C CB 1 ATOM 2929 C CG . GLN C 3 4 ? -57.203 -40.552 29.706 1.00 42.10 ? 2 GLN C CG 1 ATOM 2930 C CD . GLN C 3 4 ? -56.429 -39.840 28.629 1.00 46.01 ? 2 GLN C CD 1 ATOM 2931 O OE1 . GLN C 3 4 ? -55.895 -38.757 28.859 1.00 49.27 ? 2 GLN C OE1 1 ATOM 2932 N NE2 . GLN C 3 4 ? -56.405 -40.415 27.434 1.00 45.19 ? 2 GLN C NE2 1 ATOM 2933 N N . VAL C 3 5 ? -61.883 -41.460 30.283 1.00 29.66 ? 3 VAL C N 1 ATOM 2934 C CA . VAL C 3 5 ? -63.289 -41.130 30.130 1.00 27.74 ? 3 VAL C CA 1 ATOM 2935 C C . VAL C 3 5 ? -64.091 -42.057 31.047 1.00 28.55 ? 3 VAL C C 1 ATOM 2936 O O . VAL C 3 5 ? -64.086 -43.273 30.870 1.00 29.18 ? 3 VAL C O 1 ATOM 2937 C CB . VAL C 3 5 ? -63.754 -41.265 28.651 1.00 26.31 ? 3 VAL C CB 1 ATOM 2938 C CG1 . VAL C 3 5 ? -65.225 -40.901 28.484 1.00 21.92 ? 3 VAL C CG1 1 ATOM 2939 C CG2 . VAL C 3 5 ? -62.926 -40.415 27.767 1.00 21.55 ? 3 VAL C CG2 1 ATOM 2940 N N . GLU C 3 6 ? -64.727 -41.477 32.054 1.00 28.64 ? 4 GLU C N 1 ATOM 2941 C CA . GLU C 3 6 ? -65.538 -42.235 33.013 1.00 30.16 ? 4 GLU C CA 1 ATOM 2942 C C . GLU C 3 6 ? -67.032 -41.866 32.967 1.00 27.16 ? 4 GLU C C 1 ATOM 2943 O O . GLU C 3 6 ? -67.413 -40.694 33.007 1.00 26.03 ? 4 GLU C O 1 ATOM 2944 C CB . GLU C 3 6 ? -65.010 -42.054 34.422 1.00 32.47 ? 4 GLU C CB 1 ATOM 2945 C CG . GLU C 3 6 ? -63.584 -42.558 34.613 1.00 43.18 ? 4 GLU C CG 1 ATOM 2946 C CD . GLU C 3 6 ? -63.435 -44.081 34.399 1.00 53.72 ? 4 GLU C CD 1 ATOM 2947 O OE1 . GLU C 3 6 ? -64.450 -44.833 34.507 1.00 57.33 ? 4 GLU C OE1 1 ATOM 2948 O OE2 . GLU C 3 6 ? -62.284 -44.528 34.137 1.00 58.98 ? 4 GLU C OE2 1 ATOM 2949 N N . GLN C 3 7 ? -67.858 -42.889 32.916 1.00 25.02 ? 5 GLN C N 1 ATOM 2950 C CA . GLN C 3 7 ? -69.279 -42.708 32.826 1.00 23.89 ? 5 GLN C CA 1 ATOM 2951 C C . GLN C 3 7 ? -69.922 -43.260 34.080 1.00 24.51 ? 5 GLN C C 1 ATOM 2952 O O . GLN C 3 7 ? -69.410 -44.158 34.689 1.00 25.83 ? 5 GLN C O 1 ATOM 2953 C CB . GLN C 3 7 ? -69.849 -43.401 31.587 1.00 22.53 ? 5 GLN C CB 1 ATOM 2954 C CG . GLN C 3 7 ? -69.385 -42.794 30.260 1.00 20.55 ? 5 GLN C CG 1 ATOM 2955 C CD . GLN C 3 7 ? -70.085 -43.428 29.046 1.00 23.19 ? 5 GLN C CD 1 ATOM 2956 O OE1 . GLN C 3 7 ? -69.432 -44.028 28.176 1.00 25.24 ? 5 GLN C OE1 1 ATOM 2957 N NE2 . GLN C 3 7 ? -71.418 -43.277 28.976 1.00 20.61 ? 5 GLN C NE2 1 ATOM 2958 N N . SER C 3 8 ? -71.043 -42.680 34.455 1.00 23.56 ? 6 SER C N 1 ATOM 2959 C CA . SER C 3 8 ? -71.777 -43.068 35.632 1.00 25.19 ? 6 SER C CA 1 ATOM 2960 C C . SER C 3 8 ? -73.245 -42.734 35.343 1.00 23.70 ? 6 SER C C 1 ATOM 2961 O O . SER C 3 8 ? -73.543 -41.781 34.614 1.00 22.39 ? 6 SER C O 1 ATOM 2962 C CB . SER C 3 8 ? -71.265 -42.318 36.893 1.00 27.08 ? 6 SER C CB 1 ATOM 2963 O OG . SER C 3 8 ? -71.741 -42.934 38.114 1.00 32.22 ? 6 SER C OG 1 ATOM 2964 N N . PRO C 3 9 ? -74.165 -43.551 35.860 1.00 24.03 ? 7 PRO C N 1 ATOM 2965 C CA . PRO C 3 9 ? -73.874 -44.788 36.590 1.00 24.56 ? 7 PRO C CA 1 ATOM 2966 C C . PRO C 3 9 ? -73.418 -45.877 35.619 1.00 23.93 ? 7 PRO C C 1 ATOM 2967 O O . PRO C 3 9 ? -73.459 -45.671 34.422 1.00 22.43 ? 7 PRO C O 1 ATOM 2968 C CB . PRO C 3 9 ? -75.218 -45.146 37.251 1.00 24.29 ? 7 PRO C CB 1 ATOM 2969 C CG . PRO C 3 9 ? -76.229 -44.396 36.543 1.00 24.40 ? 7 PRO C CG 1 ATOM 2970 C CD . PRO C 3 9 ? -75.610 -43.323 35.680 1.00 23.48 ? 7 PRO C CD 1 ATOM 2971 N N . GLN C 3 10 ? -73.002 -47.016 36.139 1.00 25.87 ? 8 GLN C N 1 ATOM 2972 C CA . GLN C 3 10 ? -72.631 -48.168 35.312 1.00 27.17 ? 8 GLN C CA 1 ATOM 2973 C C . GLN C 3 10 ? -73.901 -48.719 34.636 1.00 26.39 ? 8 GLN C C 1 ATOM 2974 O O . GLN C 3 10 ? -73.923 -49.024 33.411 1.00 24.23 ? 8 GLN C O 1 ATOM 2975 C CB . GLN C 3 10 ? -71.950 -49.224 36.209 1.00 30.12 ? 8 GLN C CB 1 ATOM 2976 C CG . GLN C 3 10 ? -71.819 -50.646 35.618 1.00 33.80 ? 8 GLN C CG 1 ATOM 2977 C CD . GLN C 3 10 ? -70.819 -51.506 36.377 1.00 38.89 ? 8 GLN C CD 1 ATOM 2978 O OE1 . GLN C 3 10 ? -69.601 -51.228 36.362 1.00 40.33 ? 8 GLN C OE1 1 ATOM 2979 N NE2 . GLN C 3 10 ? -71.314 -52.551 37.046 1.00 38.55 ? 8 GLN C NE2 1 ATOM 2980 N N . SER C 3 11 ? -74.964 -48.821 35.435 1.00 26.54 ? 9 SER C N 1 ATOM 2981 C CA . SER C 3 11 ? -76.274 -49.160 34.889 1.00 26.18 ? 9 SER C CA 1 ATOM 2982 C C . SER C 3 11 ? -77.407 -48.645 35.764 1.00 26.20 ? 9 SER C C 1 ATOM 2983 O O . SER C 3 11 ? -77.195 -48.365 36.922 1.00 27.67 ? 9 SER C O 1 ATOM 2984 C CB . SER C 3 11 ? -76.380 -50.674 34.671 1.00 26.61 ? 9 SER C CB 1 ATOM 2985 O OG . SER C 3 11 ? -76.429 -51.340 35.898 1.00 27.61 ? 9 SER C OG 1 ATOM 2986 N N . LEU C 3 12 ? -78.592 -48.511 35.185 1.00 25.66 ? 10 LEU C N 1 ATOM 2987 C CA . LEU C 3 12 ? -79.780 -48.112 35.915 1.00 26.84 ? 10 LEU C CA 1 ATOM 2988 C C . LEU C 3 12 ? -81.011 -48.722 35.269 1.00 26.89 ? 10 LEU C C 1 ATOM 2989 O O . LEU C 3 12 ? -81.021 -49.018 34.049 1.00 26.06 ? 10 LEU C O 1 ATOM 2990 C CB . LEU C 3 12 ? -79.926 -46.573 36.008 1.00 26.22 ? 10 LEU C CB 1 ATOM 2991 C CG . LEU C 3 12 ? -80.322 -45.737 34.792 1.00 26.04 ? 10 LEU C CG 1 ATOM 2992 C CD1 . LEU C 3 12 ? -80.724 -44.345 35.227 1.00 25.04 ? 10 LEU C CD1 1 ATOM 2993 C CD2 . LEU C 3 12 ? -79.185 -45.629 33.704 1.00 26.33 ? 10 LEU C CD2 1 ATOM 2994 N N . VAL C 3 13 ? -82.048 -48.910 36.091 1.00 26.54 ? 11 VAL C N 1 ATOM 2995 C CA . VAL C 3 13 ? -83.303 -49.452 35.614 1.00 26.29 ? 11 VAL C CA 1 ATOM 2996 C C . VAL C 3 13 ? -84.365 -48.372 35.866 1.00 26.60 ? 11 VAL C C 1 ATOM 2997 O O . VAL C 3 13 ? -84.563 -47.923 36.995 1.00 26.69 ? 11 VAL C O 1 ATOM 2998 C CB . VAL C 3 13 ? -83.655 -50.809 36.386 1.00 27.93 ? 11 VAL C CB 1 ATOM 2999 C CG1 . VAL C 3 13 ? -85.043 -51.320 36.066 1.00 25.76 ? 11 VAL C CG1 1 ATOM 3000 C CG2 . VAL C 3 13 ? -82.605 -51.887 36.100 1.00 27.40 ? 11 VAL C CG2 1 ATOM 3001 N N . VAL C 3 14 ? -85.081 -47.962 34.830 1.00 26.68 ? 12 VAL C N 1 ATOM 3002 C CA . VAL C 3 14 ? -86.154 -46.997 35.034 1.00 26.32 ? 12 VAL C CA 1 ATOM 3003 C C . VAL C 3 14 ? -87.478 -47.449 34.454 1.00 27.15 ? 12 VAL C C 1 ATOM 3004 O O . VAL C 3 14 ? -87.521 -48.276 33.532 1.00 28.01 ? 12 VAL C O 1 ATOM 3005 C CB . VAL C 3 14 ? -85.790 -45.571 34.478 1.00 24.76 ? 12 VAL C CB 1 ATOM 3006 C CG1 . VAL C 3 14 ? -84.353 -45.237 34.731 1.00 23.85 ? 12 VAL C CG1 1 ATOM 3007 C CG2 . VAL C 3 14 ? -86.084 -45.476 33.011 1.00 24.86 ? 12 VAL C CG2 1 ATOM 3008 N N . ARG C 3 15 ? -88.553 -46.855 34.946 1.00 27.17 ? 13 ARG C N 1 ATOM 3009 C CA . ARG C 3 15 ? -89.880 -47.183 34.472 1.00 29.85 ? 13 ARG C CA 1 ATOM 3010 C C . ARG C 3 15 ? -90.233 -46.299 33.310 1.00 29.25 ? 13 ARG C C 1 ATOM 3011 O O . ARG C 3 15 ? -89.941 -45.104 33.340 1.00 29.19 ? 13 ARG C O 1 ATOM 3012 C CB . ARG C 3 15 ? -90.911 -46.945 35.556 1.00 30.50 ? 13 ARG C CB 1 ATOM 3013 C CG . ARG C 3 15 ? -90.949 -47.974 36.656 1.00 36.87 ? 13 ARG C CG 1 ATOM 3014 C CD . ARG C 3 15 ? -92.119 -47.535 37.478 1.00 46.45 ? 13 ARG C CD 1 ATOM 3015 N NE . ARG C 3 15 ? -92.422 -48.316 38.661 1.00 58.54 ? 13 ARG C NE 1 ATOM 3016 C CZ . ARG C 3 15 ? -92.647 -47.781 39.868 1.00 63.87 ? 13 ARG C CZ 1 ATOM 3017 N NH1 . ARG C 3 15 ? -92.542 -46.450 40.054 1.00 64.13 ? 13 ARG C NH1 1 ATOM 3018 N NH2 . ARG C 3 15 ? -92.967 -48.576 40.895 1.00 66.06 ? 13 ARG C NH2 1 ATOM 3019 N N . GLN C 3 16 ? -90.869 -46.879 32.298 1.00 29.60 ? 14 GLN C N 1 ATOM 3020 C CA . GLN C 3 16 ? -91.326 -46.130 31.126 1.00 30.77 ? 14 GLN C CA 1 ATOM 3021 C C . GLN C 3 16 ? -92.001 -44.822 31.517 1.00 31.28 ? 14 GLN C C 1 ATOM 3022 O O . GLN C 3 16 ? -92.918 -44.827 32.334 1.00 31.63 ? 14 GLN C O 1 ATOM 3023 C CB . GLN C 3 16 ? -92.349 -46.957 30.368 1.00 32.03 ? 14 GLN C CB 1 ATOM 3024 C CG . GLN C 3 16 ? -92.832 -46.259 29.123 1.00 37.28 ? 14 GLN C CG 1 ATOM 3025 C CD . GLN C 3 16 ? -94.030 -46.946 28.485 1.00 43.69 ? 14 GLN C CD 1 ATOM 3026 O OE1 . GLN C 3 16 ? -94.083 -48.193 28.365 1.00 42.56 ? 14 GLN C OE1 1 ATOM 3027 N NE2 . GLN C 3 16 ? -95.019 -46.132 28.095 1.00 43.86 ? 14 GLN C NE2 1 ATOM 3028 N N . GLY C 3 17 ? -91.554 -43.707 30.940 1.00 30.58 ? 15 GLY C N 1 ATOM 3029 C CA . GLY C 3 17 ? -92.196 -42.433 31.210 1.00 31.82 ? 15 GLY C CA 1 ATOM 3030 C C . GLY C 3 17 ? -91.369 -41.543 32.110 1.00 32.45 ? 15 GLY C C 1 ATOM 3031 O O . GLY C 3 17 ? -91.597 -40.335 32.163 1.00 33.28 ? 15 GLY C O 1 ATOM 3032 N N . GLU C 3 18 ? -90.416 -42.149 32.818 1.00 31.74 ? 16 GLU C N 1 ATOM 3033 C CA . GLU C 3 18 ? -89.551 -41.461 33.756 1.00 31.98 ? 16 GLU C CA 1 ATOM 3034 C C . GLU C 3 18 ? -88.421 -40.804 32.966 1.00 31.41 ? 16 GLU C C 1 ATOM 3035 O O . GLU C 3 18 ? -88.045 -41.291 31.891 1.00 30.17 ? 16 GLU C O 1 ATOM 3036 C CB . GLU C 3 18 ? -89.016 -42.450 34.839 1.00 32.21 ? 16 GLU C CB 1 ATOM 3037 C CG . GLU C 3 18 ? -90.089 -42.854 35.876 1.00 36.06 ? 16 GLU C CG 1 ATOM 3038 C CD . GLU C 3 18 ? -89.720 -44.005 36.912 1.00 44.13 ? 16 GLU C CD 1 ATOM 3039 O OE1 . GLU C 3 18 ? -88.569 -44.600 36.916 1.00 38.60 ? 16 GLU C OE1 1 ATOM 3040 O OE2 . GLU C 3 18 ? -90.654 -44.299 37.753 1.00 46.64 ? 16 GLU C OE2 1 ATOM 3041 N N . ASN C 3 19 ? -87.917 -39.678 33.463 1.00 31.10 ? 17 ASN C N 1 ATOM 3042 C CA . ASN C 3 19 ? -86.703 -39.094 32.913 1.00 32.18 ? 17 ASN C CA 1 ATOM 3043 C C . ASN C 3 19 ? -85.497 -39.786 33.517 1.00 31.89 ? 17 ASN C C 1 ATOM 3044 O O . ASN C 3 19 ? -85.586 -40.299 34.619 1.00 33.88 ? 17 ASN C O 1 ATOM 3045 C CB . ASN C 3 19 ? -86.619 -37.586 33.246 1.00 32.21 ? 17 ASN C CB 1 ATOM 3046 C CG . ASN C 3 19 ? -87.889 -36.839 32.868 1.00 34.59 ? 17 ASN C CG 1 ATOM 3047 O OD1 . ASN C 3 19 ? -88.491 -37.087 31.826 1.00 32.78 ? 17 ASN C OD1 1 ATOM 3048 N ND2 . ASN C 3 19 ? -88.306 -35.929 33.720 1.00 37.31 ? 17 ASN C ND2 1 ATOM 3049 N N . CYS C 3 20 ? -84.374 -39.796 32.818 1.00 31.23 ? 18 CYS C N 1 ATOM 3050 C CA . CYS C 3 20 ? -83.098 -40.031 33.483 1.00 31.71 ? 18 CYS C CA 1 ATOM 3051 C C . CYS C 3 20 ? -81.931 -39.182 32.941 1.00 30.97 ? 18 CYS C C 1 ATOM 3052 O O . CYS C 3 20 ? -82.025 -38.562 31.873 1.00 30.49 ? 18 CYS C O 1 ATOM 3053 C CB . CYS C 3 20 ? -82.728 -41.495 33.431 1.00 31.63 ? 18 CYS C CB 1 ATOM 3054 S SG . CYS C 3 20 ? -82.560 -42.095 31.747 1.00 35.02 ? 18 CYS C SG 1 ATOM 3055 N N . VAL C 3 21 ? -80.831 -39.190 33.701 1.00 30.32 ? 19 VAL C N 1 ATOM 3056 C CA . VAL C 3 21 ? -79.655 -38.385 33.438 1.00 29.87 ? 19 VAL C CA 1 ATOM 3057 C C . VAL C 3 21 ? -78.421 -39.287 33.527 1.00 28.42 ? 19 VAL C C 1 ATOM 3058 O O . VAL C 3 21 ? -78.260 -40.010 34.498 1.00 28.22 ? 19 VAL C O 1 ATOM 3059 C CB . VAL C 3 21 ? -79.533 -37.264 34.490 1.00 31.80 ? 19 VAL C CB 1 ATOM 3060 C CG1 . VAL C 3 21 ? -78.372 -36.369 34.179 1.00 32.55 ? 19 VAL C CG1 1 ATOM 3061 C CG2 . VAL C 3 21 ? -80.803 -36.414 34.500 1.00 33.53 ? 19 VAL C CG2 1 ATOM 3062 N N . LEU C 3 22 ? -77.568 -39.238 32.513 1.00 26.19 ? 20 LEU C N 1 ATOM 3063 C CA . LEU C 3 22 ? -76.322 -39.997 32.484 1.00 25.36 ? 20 LEU C CA 1 ATOM 3064 C C . LEU C 3 22 ? -75.160 -39.017 32.529 1.00 25.15 ? 20 LEU C C 1 ATOM 3065 O O . LEU C 3 22 ? -75.224 -37.952 31.927 1.00 24.82 ? 20 LEU C O 1 ATOM 3066 C CB . LEU C 3 22 ? -76.248 -40.825 31.181 1.00 23.80 ? 20 LEU C CB 1 ATOM 3067 C CG . LEU C 3 22 ? -77.530 -41.608 30.824 1.00 25.93 ? 20 LEU C CG 1 ATOM 3068 C CD1 . LEU C 3 22 ? -77.303 -42.549 29.694 1.00 26.38 ? 20 LEU C CD1 1 ATOM 3069 C CD2 . LEU C 3 22 ? -78.090 -42.398 31.984 1.00 24.15 ? 20 LEU C CD2 1 ATOM 3070 N N . GLN C 3 23 ? -74.075 -39.385 33.195 1.00 25.00 ? 21 GLN C N 1 ATOM 3071 C CA . GLN C 3 23 ? -72.950 -38.464 33.315 1.00 25.48 ? 21 GLN C CA 1 ATOM 3072 C C . GLN C 3 23 ? -71.699 -39.008 32.669 1.00 23.91 ? 21 GLN C C 1 ATOM 3073 O O . GLN C 3 23 ? -71.481 -40.228 32.620 1.00 23.25 ? 21 GLN C O 1 ATOM 3074 C CB . GLN C 3 23 ? -72.650 -38.167 34.776 1.00 26.62 ? 21 GLN C CB 1 ATOM 3075 C CG . GLN C 3 23 ? -73.872 -38.182 35.670 1.00 35.77 ? 21 GLN C CG 1 ATOM 3076 C CD . GLN C 3 23 ? -74.375 -36.792 36.027 1.00 45.31 ? 21 GLN C CD 1 ATOM 3077 O OE1 . GLN C 3 23 ? -73.725 -35.789 35.698 1.00 49.63 ? 21 GLN C OE1 1 ATOM 3078 N NE2 . GLN C 3 23 ? -75.533 -36.719 36.724 1.00 50.13 ? 21 GLN C NE2 1 ATOM 3079 N N . CYS C 3 24 ? -70.858 -38.088 32.224 1.00 23.91 ? 22 CYS C N 1 ATOM 3080 C CA . CYS C 3 24 ? -69.579 -38.422 31.628 1.00 25.27 ? 22 CYS C CA 1 ATOM 3081 C C . CYS C 3 24 ? -68.538 -37.461 32.194 1.00 25.98 ? 22 CYS C C 1 ATOM 3082 O O . CYS C 3 24 ? -68.764 -36.248 32.176 1.00 27.22 ? 22 CYS C O 1 ATOM 3083 C CB . CYS C 3 24 ? -69.674 -38.233 30.123 1.00 24.61 ? 22 CYS C CB 1 ATOM 3084 S SG . CYS C 3 24 ? -68.132 -38.592 29.283 1.00 31.99 ? 22 CYS C SG 1 ATOM 3085 N N . ASN C 3 25 ? -67.438 -37.977 32.742 1.00 25.50 ? 23 ASN C N 1 ATOM 3086 C CA . ASN C 3 25 ? -66.363 -37.122 33.225 1.00 26.66 ? 23 ASN C CA 1 ATOM 3087 C C . ASN C 3 25 ? -65.074 -37.550 32.561 1.00 25.95 ? 23 ASN C C 1 ATOM 3088 O O . ASN C 3 25 ? -64.839 -38.734 32.394 1.00 27.13 ? 23 ASN C O 1 ATOM 3089 C CB . ASN C 3 25 ? -66.240 -37.148 34.739 1.00 27.48 ? 23 ASN C CB 1 ATOM 3090 C CG . ASN C 3 25 ? -67.444 -36.444 35.433 1.00 32.67 ? 23 ASN C CG 1 ATOM 3091 O OD1 . ASN C 3 25 ? -67.425 -35.226 35.685 1.00 34.89 ? 23 ASN C OD1 1 ATOM 3092 N ND2 . ASN C 3 25 ? -68.473 -37.212 35.742 1.00 31.74 ? 23 ASN C ND2 1 ATOM 3093 N N . TYR C 3 26 ? -64.252 -36.602 32.146 1.00 24.66 ? 24 TYR C N 1 ATOM 3094 C CA . TYR C 3 26 ? -63.042 -36.965 31.434 1.00 24.34 ? 24 TYR C CA 1 ATOM 3095 C C . TYR C 3 26 ? -61.807 -36.183 31.888 1.00 24.55 ? 24 TYR C C 1 ATOM 3096 O O . TYR C 3 26 ? -61.932 -35.142 32.501 1.00 24.63 ? 24 TYR C O 1 ATOM 3097 C CB . TYR C 3 26 ? -63.275 -36.837 29.900 1.00 22.62 ? 24 TYR C CB 1 ATOM 3098 C CG . TYR C 3 26 ? -63.614 -35.419 29.431 1.00 21.28 ? 24 TYR C CG 1 ATOM 3099 C CD1 . TYR C 3 26 ? -62.616 -34.549 28.976 1.00 22.30 ? 24 TYR C CD1 1 ATOM 3100 C CD2 . TYR C 3 26 ? -64.939 -34.972 29.416 1.00 24.04 ? 24 TYR C CD2 1 ATOM 3101 C CE1 . TYR C 3 26 ? -62.928 -33.257 28.523 1.00 21.25 ? 24 TYR C CE1 1 ATOM 3102 C CE2 . TYR C 3 26 ? -65.280 -33.655 28.982 1.00 22.43 ? 24 TYR C CE2 1 ATOM 3103 C CZ . TYR C 3 26 ? -64.283 -32.837 28.517 1.00 23.52 ? 24 TYR C CZ 1 ATOM 3104 O OH . TYR C 3 26 ? -64.629 -31.578 28.131 1.00 25.02 ? 24 TYR C OH 1 ATOM 3105 N N . SER C 3 27 ? -60.626 -36.703 31.573 1.00 25.18 ? 25 SER C N 1 ATOM 3106 C CA . SER C 3 27 ? -59.372 -35.957 31.727 1.00 27.27 ? 25 SER C CA 1 ATOM 3107 C C . SER C 3 27 ? -58.624 -35.791 30.394 1.00 26.18 ? 25 SER C C 1 ATOM 3108 O O . SER C 3 27 ? -57.525 -35.272 30.381 1.00 28.14 ? 25 SER C O 1 ATOM 3109 C CB . SER C 3 27 ? -58.455 -36.634 32.747 1.00 29.18 ? 25 SER C CB 1 ATOM 3110 O OG . SER C 3 27 ? -58.315 -37.995 32.397 1.00 32.26 ? 25 SER C OG 1 ATOM 3111 N N . VAL C 3 28 ? -59.221 -36.213 29.284 1.00 24.38 ? 26 VAL C N 1 ATOM 3112 C CA . VAL C 3 28 ? -58.647 -36.031 27.949 1.00 23.79 ? 26 VAL C CA 1 ATOM 3113 C C . VAL C 3 28 ? -58.284 -34.562 27.731 1.00 25.26 ? 26 VAL C C 1 ATOM 3114 O O . VAL C 3 28 ? -59.080 -33.673 28.013 1.00 24.86 ? 26 VAL C O 1 ATOM 3115 C CB . VAL C 3 28 ? -59.653 -36.463 26.838 1.00 22.23 ? 26 VAL C CB 1 ATOM 3116 C CG1 . VAL C 3 28 ? -59.118 -36.167 25.454 1.00 20.86 ? 26 VAL C CG1 1 ATOM 3117 C CG2 . VAL C 3 28 ? -60.046 -37.951 26.956 1.00 20.41 ? 26 VAL C CG2 1 ATOM 3118 N N . THR C 3 29 ? -57.086 -34.319 27.206 1.00 26.75 ? 27 THR C N 1 ATOM 3119 C CA . THR C 3 29 ? -56.557 -32.973 26.988 1.00 28.41 ? 27 THR C CA 1 ATOM 3120 C C . THR C 3 29 ? -55.804 -32.967 25.655 1.00 28.41 ? 27 THR C C 1 ATOM 3121 O O . THR C 3 29 ? -55.011 -33.883 25.406 1.00 27.65 ? 27 THR C O 1 ATOM 3122 C CB . THR C 3 29 ? -55.561 -32.619 28.128 1.00 30.89 ? 27 THR C CB 1 ATOM 3123 O OG1 . THR C 3 29 ? -56.280 -32.581 29.370 1.00 35.02 ? 27 THR C OG1 1 ATOM 3124 C CG2 . THR C 3 29 ? -54.935 -31.261 27.918 1.00 32.59 ? 27 THR C CG2 1 ATOM 3125 N N . PRO C 3 30 ? -56.083 -31.986 24.767 1.00 28.32 ? 28 PRO C N 1 ATOM 3126 C CA . PRO C 3 30 ? -57.202 -31.036 24.810 1.00 27.13 ? 28 PRO C CA 1 ATOM 3127 C C . PRO C 3 30 ? -58.506 -31.756 24.444 1.00 26.32 ? 28 PRO C C 1 ATOM 3128 O O . PRO C 3 30 ? -58.482 -32.899 23.964 1.00 26.06 ? 28 PRO C O 1 ATOM 3129 C CB . PRO C 3 30 ? -56.837 -30.007 23.734 1.00 28.23 ? 28 PRO C CB 1 ATOM 3130 C CG . PRO C 3 30 ? -55.851 -30.654 22.844 1.00 26.88 ? 28 PRO C CG 1 ATOM 3131 C CD . PRO C 3 30 ? -55.159 -31.725 23.630 1.00 27.78 ? 28 PRO C CD 1 ATOM 3132 N N . ASP C 3 31 ? -59.635 -31.111 24.698 1.00 25.46 ? 29 ASP C N 1 ATOM 3133 C CA . ASP C 3 31 ? -60.956 -31.697 24.446 1.00 24.24 ? 29 ASP C CA 1 ATOM 3134 C C . ASP C 3 31 ? -61.688 -30.832 23.441 1.00 23.55 ? 29 ASP C C 1 ATOM 3135 O O . ASP C 3 31 ? -62.285 -29.808 23.804 1.00 24.75 ? 29 ASP C O 1 ATOM 3136 C CB . ASP C 3 31 ? -61.768 -31.808 25.742 1.00 24.88 ? 29 ASP C CB 1 ATOM 3137 C CG . ASP C 3 31 ? -61.738 -30.506 26.603 1.00 27.51 ? 29 ASP C CG 1 ATOM 3138 O OD1 . ASP C 3 31 ? -60.826 -29.665 26.423 1.00 29.60 ? 29 ASP C OD1 1 ATOM 3139 O OD2 . ASP C 3 31 ? -62.616 -30.340 27.481 1.00 28.63 ? 29 ASP C OD2 1 ATOM 3140 N N . ASN C 3 32 ? -61.596 -31.223 22.173 1.00 22.40 ? 30 ASN C N 1 ATOM 3141 C CA . ASN C 3 32 ? -62.229 -30.505 21.101 1.00 22.49 ? 30 ASN C CA 1 ATOM 3142 C C . ASN C 3 32 ? -63.744 -30.677 21.063 1.00 22.28 ? 30 ASN C C 1 ATOM 3143 O O . ASN C 3 32 ? -64.467 -29.687 20.930 1.00 23.00 ? 30 ASN C O 1 ATOM 3144 C CB . ASN C 3 32 ? -61.620 -30.858 19.734 1.00 21.68 ? 30 ASN C CB 1 ATOM 3145 C CG . ASN C 3 32 ? -62.401 -30.238 18.586 1.00 22.15 ? 30 ASN C CG 1 ATOM 3146 O OD1 . ASN C 3 32 ? -63.289 -30.872 17.996 1.00 24.88 ? 30 ASN C OD1 1 ATOM 3147 N ND2 . ASN C 3 32 ? -62.109 -28.995 18.287 1.00 20.97 ? 30 ASN C ND2 1 ATOM 3148 N N . HIS C 3 33 ? -64.222 -31.916 21.144 1.00 21.25 ? 31 HIS C N 1 ATOM 3149 C CA . HIS C 3 33 ? -65.689 -32.143 21.098 1.00 22.57 ? 31 HIS C CA 1 ATOM 3150 C C . HIS C 3 33 ? -66.018 -33.413 21.851 1.00 22.20 ? 31 HIS C C 1 ATOM 3151 O O . HIS C 3 33 ? -65.130 -34.261 22.114 1.00 22.70 ? 31 HIS C O 1 ATOM 3152 C CB . HIS C 3 33 ? -66.238 -32.244 19.669 1.00 21.20 ? 31 HIS C CB 1 ATOM 3153 C CG . HIS C 3 33 ? -65.614 -33.347 18.882 1.00 24.19 ? 31 HIS C CG 1 ATOM 3154 N ND1 . HIS C 3 33 ? -64.363 -33.226 18.304 1.00 24.34 ? 31 HIS C ND1 1 ATOM 3155 C CD2 . HIS C 3 33 ? -66.025 -34.619 18.639 1.00 23.57 ? 31 HIS C CD2 1 ATOM 3156 C CE1 . HIS C 3 33 ? -64.044 -34.369 17.720 1.00 24.75 ? 31 HIS C CE1 1 ATOM 3157 N NE2 . HIS C 3 33 ? -65.034 -35.228 17.905 1.00 24.91 ? 31 HIS C NE2 1 ATOM 3158 N N . LEU C 3 34 ? -67.294 -33.536 22.197 1.00 21.86 ? 32 LEU C N 1 ATOM 3159 C CA . LEU C 3 34 ? -67.755 -34.663 22.952 1.00 21.13 ? 32 LEU C CA 1 ATOM 3160 C C . LEU C 3 34 ? -68.997 -35.204 22.270 1.00 21.56 ? 32 LEU C C 1 ATOM 3161 O O . LEU C 3 34 ? -69.953 -34.450 22.002 1.00 22.16 ? 32 LEU C O 1 ATOM 3162 C CB . LEU C 3 34 ? -68.040 -34.244 24.387 1.00 20.66 ? 32 LEU C CB 1 ATOM 3163 C CG . LEU C 3 34 ? -68.358 -35.414 25.331 1.00 21.92 ? 32 LEU C CG 1 ATOM 3164 C CD1 . LEU C 3 34 ? -67.816 -35.194 26.810 1.00 19.57 ? 32 LEU C CD1 1 ATOM 3165 C CD2 . LEU C 3 34 ? -69.914 -35.738 25.299 1.00 21.97 ? 32 LEU C CD2 1 ATOM 3166 N N . ARG C 3 35 ? -69.000 -36.501 21.981 1.00 20.65 ? 33 ARG C N 1 ATOM 3167 C CA . ARG C 3 35 ? -70.154 -37.061 21.329 1.00 21.85 ? 33 ARG C CA 1 ATOM 3168 C C . ARG C 3 35 ? -70.856 -38.119 22.176 1.00 22.11 ? 33 ARG C C 1 ATOM 3169 O O . ARG C 3 35 ? -70.195 -38.886 22.887 1.00 22.09 ? 33 ARG C O 1 ATOM 3170 C CB . ARG C 3 35 ? -69.695 -37.634 19.987 1.00 23.29 ? 33 ARG C CB 1 ATOM 3171 C CG . ARG C 3 35 ? -70.823 -38.144 19.125 1.00 27.61 ? 33 ARG C CG 1 ATOM 3172 C CD . ARG C 3 35 ? -70.245 -38.907 17.932 1.00 33.21 ? 33 ARG C CD 1 ATOM 3173 N NE . ARG C 3 35 ? -69.379 -38.053 17.125 1.00 30.26 ? 33 ARG C NE 1 ATOM 3174 C CZ . ARG C 3 35 ? -69.826 -37.311 16.119 1.00 29.98 ? 33 ARG C CZ 1 ATOM 3175 N NH1 . ARG C 3 35 ? -71.128 -37.315 15.830 1.00 27.82 ? 33 ARG C NH1 1 ATOM 3176 N NH2 . ARG C 3 35 ? -68.974 -36.564 15.415 1.00 28.12 ? 33 ARG C NH2 1 ATOM 3177 N N . TRP C 3 36 ? -72.187 -38.179 22.112 1.00 21.55 ? 34 TRP C N 1 ATOM 3178 C CA . TRP C 3 36 ? -72.901 -39.312 22.718 1.00 20.31 ? 34 TRP C CA 1 ATOM 3179 C C . TRP C 3 36 ? -73.445 -40.270 21.681 1.00 21.28 ? 34 TRP C C 1 ATOM 3180 O O . TRP C 3 36 ? -74.056 -39.848 20.674 1.00 20.42 ? 34 TRP C O 1 ATOM 3181 C CB . TRP C 3 36 ? -74.042 -38.824 23.582 1.00 20.36 ? 34 TRP C CB 1 ATOM 3182 C CG . TRP C 3 36 ? -73.633 -38.216 24.902 1.00 19.15 ? 34 TRP C CG 1 ATOM 3183 C CD1 . TRP C 3 36 ? -73.369 -36.894 25.140 1.00 17.01 ? 34 TRP C CD1 1 ATOM 3184 C CD2 . TRP C 3 36 ? -73.491 -38.882 26.152 1.00 15.04 ? 34 TRP C CD2 1 ATOM 3185 N NE1 . TRP C 3 36 ? -73.062 -36.705 26.449 1.00 15.30 ? 34 TRP C NE1 1 ATOM 3186 C CE2 . TRP C 3 36 ? -73.134 -37.900 27.105 1.00 15.88 ? 34 TRP C CE2 1 ATOM 3187 C CE3 . TRP C 3 36 ? -73.656 -40.203 26.572 1.00 19.64 ? 34 TRP C CE3 1 ATOM 3188 C CZ2 . TRP C 3 36 ? -72.948 -38.189 28.469 1.00 17.36 ? 34 TRP C CZ2 1 ATOM 3189 C CZ3 . TRP C 3 36 ? -73.437 -40.507 27.922 1.00 18.83 ? 34 TRP C CZ3 1 ATOM 3190 C CH2 . TRP C 3 36 ? -73.089 -39.493 28.860 1.00 20.12 ? 34 TRP C CH2 1 ATOM 3191 N N . PHE C 3 37 ? -73.222 -41.566 21.920 1.00 21.11 ? 35 PHE C N 1 ATOM 3192 C CA . PHE C 3 37 ? -73.737 -42.593 21.057 1.00 22.27 ? 35 PHE C CA 1 ATOM 3193 C C . PHE C 3 37 ? -74.734 -43.453 21.860 1.00 23.37 ? 35 PHE C C 1 ATOM 3194 O O . PHE C 3 37 ? -74.557 -43.659 23.078 1.00 22.15 ? 35 PHE C O 1 ATOM 3195 C CB . PHE C 3 37 ? -72.624 -43.545 20.599 1.00 22.68 ? 35 PHE C CB 1 ATOM 3196 C CG . PHE C 3 37 ? -71.733 -43.020 19.490 1.00 24.77 ? 35 PHE C CG 1 ATOM 3197 C CD1 . PHE C 3 37 ? -72.125 -43.104 18.172 1.00 22.08 ? 35 PHE C CD1 1 ATOM 3198 C CD2 . PHE C 3 37 ? -70.449 -42.525 19.775 1.00 26.91 ? 35 PHE C CD2 1 ATOM 3199 C CE1 . PHE C 3 37 ? -71.267 -42.701 17.127 1.00 26.33 ? 35 PHE C CE1 1 ATOM 3200 C CE2 . PHE C 3 37 ? -69.590 -42.072 18.731 1.00 27.76 ? 35 PHE C CE2 1 ATOM 3201 C CZ . PHE C 3 37 ? -69.998 -42.176 17.414 1.00 28.14 ? 35 PHE C CZ 1 ATOM 3202 N N . LYS C 3 38 ? -75.716 -43.987 21.123 1.00 23.63 ? 36 LYS C N 1 ATOM 3203 C CA . LYS C 3 38 ? -76.609 -45.020 21.530 1.00 24.01 ? 36 LYS C CA 1 ATOM 3204 C C . LYS C 3 38 ? -76.256 -46.323 20.789 1.00 25.27 ? 36 LYS C C 1 ATOM 3205 O O . LYS C 3 38 ? -76.129 -46.338 19.553 1.00 26.82 ? 36 LYS C O 1 ATOM 3206 C CB . LYS C 3 38 ? -78.056 -44.611 21.184 1.00 24.69 ? 36 LYS C CB 1 ATOM 3207 C CG . LYS C 3 38 ? -79.107 -45.595 21.691 1.00 25.65 ? 36 LYS C CG 1 ATOM 3208 C CD . LYS C 3 38 ? -80.557 -45.160 21.370 1.00 29.09 ? 36 LYS C CD 1 ATOM 3209 C CE . LYS C 3 38 ? -81.489 -46.312 21.742 1.00 28.47 ? 36 LYS C CE 1 ATOM 3210 N NZ . LYS C 3 38 ? -82.760 -46.315 21.026 1.00 31.85 ? 36 LYS C NZ 1 ATOM 3211 N N . GLN C 3 39 ? -76.095 -47.408 21.544 1.00 25.39 ? 37 GLN C N 1 ATOM 3212 C CA . GLN C 3 39 ? -75.872 -48.739 20.995 1.00 27.25 ? 37 GLN C CA 1 ATOM 3213 C C . GLN C 3 39 ? -76.855 -49.783 21.565 1.00 29.39 ? 37 GLN C C 1 ATOM 3214 O O . GLN C 3 39 ? -76.757 -50.173 22.738 1.00 29.80 ? 37 GLN C O 1 ATOM 3215 C CB . GLN C 3 39 ? -74.416 -49.162 21.237 1.00 26.55 ? 37 GLN C CB 1 ATOM 3216 C CG . GLN C 3 39 ? -74.088 -50.615 20.814 1.00 28.16 ? 37 GLN C CG 1 ATOM 3217 C CD . GLN C 3 39 ? -72.640 -50.980 21.132 1.00 29.35 ? 37 GLN C CD 1 ATOM 3218 O OE1 . GLN C 3 39 ? -72.111 -50.566 22.157 1.00 28.94 ? 37 GLN C OE1 1 ATOM 3219 N NE2 . GLN C 3 39 ? -71.996 -51.715 20.253 1.00 27.31 ? 37 GLN C NE2 1 ATOM 3220 N N . ASP C 3 40 ? -77.809 -50.232 20.756 1.00 32.66 ? 38 ASP C N 1 ATOM 3221 C CA . ASP C 3 40 ? -78.735 -51.317 21.153 1.00 35.79 ? 38 ASP C CA 1 ATOM 3222 C C . ASP C 3 40 ? -77.963 -52.628 21.202 1.00 37.92 ? 38 ASP C C 1 ATOM 3223 O O . ASP C 3 40 ? -76.936 -52.809 20.534 1.00 37.84 ? 38 ASP C O 1 ATOM 3224 C CB . ASP C 3 40 ? -79.890 -51.505 20.146 1.00 38.43 ? 38 ASP C CB 1 ATOM 3225 C CG . ASP C 3 40 ? -80.762 -50.258 19.978 1.00 42.20 ? 38 ASP C CG 1 ATOM 3226 O OD1 . ASP C 3 40 ? -80.663 -49.302 20.791 1.00 44.73 ? 38 ASP C OD1 1 ATOM 3227 O OD2 . ASP C 3 40 ? -81.553 -50.231 19.009 1.00 47.34 ? 38 ASP C OD2 1 ATOM 3228 N N . THR C 3 41 ? -78.481 -53.554 21.983 1.00 40.12 ? 39 THR C N 1 ATOM 3229 C CA . THR C 3 41 ? -77.792 -54.802 22.244 1.00 43.61 ? 39 THR C CA 1 ATOM 3230 C C . THR C 3 41 ? -77.697 -55.571 20.927 1.00 46.20 ? 39 THR C C 1 ATOM 3231 O O . THR C 3 41 ? -78.709 -55.829 20.267 1.00 47.25 ? 39 THR C O 1 ATOM 3232 C CB . THR C 3 41 ? -78.585 -55.643 23.266 1.00 44.86 ? 39 THR C CB 1 ATOM 3233 O OG1 . THR C 3 41 ? -79.687 -56.249 22.588 1.00 48.27 ? 39 THR C OG1 1 ATOM 3234 C CG2 . THR C 3 41 ? -79.131 -54.761 24.387 1.00 43.08 ? 39 THR C CG2 1 ATOM 3235 N N . GLY C 3 42 ? -76.476 -55.915 20.546 1.00 47.13 ? 40 GLY C N 1 ATOM 3236 C CA . GLY C 3 42 ? -76.243 -56.573 19.272 1.00 49.69 ? 40 GLY C CA 1 ATOM 3237 C C . GLY C 3 42 ? -76.003 -55.635 18.098 1.00 49.38 ? 40 GLY C C 1 ATOM 3238 O O . GLY C 3 42 ? -75.759 -56.090 17.008 1.00 52.28 ? 40 GLY C O 1 ATOM 3239 N N . LYS C 3 43 ? -76.040 -54.327 18.312 1.00 46.81 ? 41 LYS C N 1 ATOM 3240 C CA . LYS C 3 43 ? -76.053 -53.419 17.195 1.00 46.72 ? 41 LYS C CA 1 ATOM 3241 C C . LYS C 3 43 ? -74.870 -52.468 17.162 1.00 43.77 ? 41 LYS C C 1 ATOM 3242 O O . LYS C 3 43 ? -73.915 -52.644 17.906 1.00 43.53 ? 41 LYS C O 1 ATOM 3243 C CB . LYS C 3 43 ? -77.408 -52.709 17.111 1.00 46.68 ? 41 LYS C CB 1 ATOM 3244 C CG . LYS C 3 43 ? -78.445 -53.653 16.488 1.00 53.69 ? 41 LYS C CG 1 ATOM 3245 C CD . LYS C 3 43 ? -79.869 -53.201 16.723 1.00 59.14 ? 41 LYS C CD 1 ATOM 3246 C CE . LYS C 3 43 ? -80.803 -53.840 15.705 1.00 63.94 ? 41 LYS C CE 1 ATOM 3247 N NZ . LYS C 3 43 ? -82.214 -53.852 16.214 1.00 66.22 ? 41 LYS C NZ 1 ATOM 3248 N N . GLY C 3 44 ? -74.928 -51.498 16.255 1.00 41.65 ? 42 GLY C N 1 ATOM 3249 C CA . GLY C 3 44 ? -73.879 -50.535 16.069 1.00 38.74 ? 42 GLY C CA 1 ATOM 3250 C C . GLY C 3 44 ? -74.128 -49.271 16.845 1.00 35.68 ? 42 GLY C C 1 ATOM 3251 O O . GLY C 3 44 ? -75.004 -49.214 17.709 1.00 33.27 ? 42 GLY C O 1 ATOM 3252 N N . LEU C 3 45 ? -73.341 -48.260 16.520 1.00 33.85 ? 43 LEU C N 1 ATOM 3253 C CA . LEU C 3 45 ? -73.341 -47.025 17.236 1.00 32.20 ? 43 LEU C CA 1 ATOM 3254 C C . LEU C 3 45 ? -74.156 -46.017 16.478 1.00 32.28 ? 43 LEU C C 1 ATOM 3255 O O . LEU C 3 45 ? -73.857 -45.748 15.333 1.00 34.29 ? 43 LEU C O 1 ATOM 3256 C CB . LEU C 3 45 ? -71.914 -46.507 17.324 1.00 31.21 ? 43 LEU C CB 1 ATOM 3257 C CG . LEU C 3 45 ? -70.917 -47.503 17.919 1.00 33.00 ? 43 LEU C CG 1 ATOM 3258 C CD1 . LEU C 3 45 ? -69.466 -47.092 17.540 1.00 34.64 ? 43 LEU C CD1 1 ATOM 3259 C CD2 . LEU C 3 45 ? -71.089 -47.512 19.405 1.00 28.11 ? 43 LEU C CD2 1 ATOM 3260 N N . VAL C 3 46 ? -75.202 -45.494 17.101 1.00 30.62 ? 44 VAL C N 1 ATOM 3261 C CA . VAL C 3 46 ? -75.950 -44.374 16.540 1.00 30.41 ? 44 VAL C CA 1 ATOM 3262 C C . VAL C 3 46 ? -75.574 -43.087 17.270 1.00 27.38 ? 44 VAL C C 1 ATOM 3263 O O . VAL C 3 46 ? -75.711 -42.987 18.492 1.00 24.83 ? 44 VAL C O 1 ATOM 3264 C CB . VAL C 3 46 ? -77.486 -44.664 16.656 1.00 32.51 ? 44 VAL C CB 1 ATOM 3265 C CG1 . VAL C 3 46 ? -78.319 -43.430 16.325 1.00 34.97 ? 44 VAL C CG1 1 ATOM 3266 C CG2 . VAL C 3 46 ? -77.841 -45.795 15.738 1.00 33.15 ? 44 VAL C CG2 1 ATOM 3267 N N . SER C 3 47 ? -75.048 -42.117 16.529 1.00 27.64 ? 45 SER C N 1 ATOM 3268 C CA . SER C 3 47 ? -74.717 -40.776 17.076 1.00 26.30 ? 45 SER C CA 1 ATOM 3269 C C . SER C 3 47 ? -75.989 -40.014 17.512 1.00 25.57 ? 45 SER C C 1 ATOM 3270 O O . SER C 3 47 ? -76.921 -39.893 16.722 1.00 26.95 ? 45 SER C O 1 ATOM 3271 C CB . SER C 3 47 ? -73.993 -39.959 16.009 1.00 27.17 ? 45 SER C CB 1 ATOM 3272 O OG . SER C 3 47 ? -73.600 -38.695 16.568 1.00 31.06 ? 45 SER C OG 1 ATOM 3273 N N . LEU C 3 48 ? -76.041 -39.540 18.752 1.00 23.84 ? 46 LEU C N 1 ATOM 3274 C CA . LEU C 3 48 ? -77.210 -38.786 19.286 1.00 24.50 ? 46 LEU C CA 1 ATOM 3275 C C . LEU C 3 48 ? -76.997 -37.263 19.193 1.00 25.39 ? 46 LEU C C 1 ATOM 3276 O O . LEU C 3 48 ? -77.920 -36.532 18.807 1.00 26.92 ? 46 LEU C O 1 ATOM 3277 C CB . LEU C 3 48 ? -77.499 -39.166 20.752 1.00 23.13 ? 46 LEU C CB 1 ATOM 3278 C CG . LEU C 3 48 ? -77.897 -40.641 20.986 1.00 24.44 ? 46 LEU C CG 1 ATOM 3279 C CD1 . LEU C 3 48 ? -78.190 -40.926 22.436 1.00 22.96 ? 46 LEU C CD1 1 ATOM 3280 C CD2 . LEU C 3 48 ? -79.108 -40.980 20.107 1.00 23.97 ? 46 LEU C CD2 1 ATOM 3281 N N . THR C 3 49 ? -75.786 -36.801 19.544 1.00 23.63 ? 47 THR C N 1 ATOM 3282 C CA . THR C 3 49 ? -75.474 -35.398 19.551 1.00 24.52 ? 47 THR C CA 1 ATOM 3283 C C . THR C 3 49 ? -73.973 -35.217 19.657 1.00 23.78 ? 47 THR C C 1 ATOM 3284 O O . THR C 3 49 ? -73.268 -36.135 20.100 1.00 23.17 ? 47 THR C O 1 ATOM 3285 C CB . THR C 3 49 ? -76.182 -34.674 20.775 1.00 25.68 ? 47 THR C CB 1 ATOM 3286 O OG1 . THR C 3 49 ? -76.082 -33.266 20.605 1.00 29.35 ? 47 THR C OG1 1 ATOM 3287 C CG2 . THR C 3 49 ? -75.570 -35.053 22.144 1.00 22.35 ? 47 THR C CG2 1 ATOM 3288 N N . VAL C 3 50 ? -73.480 -34.053 19.265 1.00 23.52 ? 48 VAL C N 1 ATOM 3289 C CA . VAL C 3 50 ? -72.090 -33.698 19.488 1.00 23.09 ? 48 VAL C CA 1 ATOM 3290 C C . VAL C 3 50 ? -72.072 -32.265 20.043 1.00 24.07 ? 48 VAL C C 1 ATOM 3291 O O . VAL C 3 50 ? -72.826 -31.403 19.581 1.00 23.24 ? 48 VAL C O 1 ATOM 3292 C CB . VAL C 3 50 ? -71.237 -33.810 18.194 1.00 24.39 ? 48 VAL C CB 1 ATOM 3293 C CG1 . VAL C 3 50 ? -71.867 -33.012 17.035 1.00 26.76 ? 48 VAL C CG1 1 ATOM 3294 C CG2 . VAL C 3 50 ? -69.812 -33.369 18.433 1.00 21.19 ? 48 VAL C CG2 1 ATOM 3295 N N . LEU C 3 51 ? -71.222 -32.052 21.054 1.00 22.39 ? 49 LEU C N 1 ATOM 3296 C CA . LEU C 3 51 ? -71.115 -30.794 21.745 1.00 23.21 ? 49 LEU C CA 1 ATOM 3297 C C . LEU C 3 51 ? -69.692 -30.326 21.494 1.00 23.89 ? 49 LEU C C 1 ATOM 3298 O O . LEU C 3 51 ? -68.761 -31.123 21.630 1.00 21.71 ? 49 LEU C O 1 ATOM 3299 C CB . LEU C 3 51 ? -71.312 -31.045 23.233 1.00 22.36 ? 49 LEU C CB 1 ATOM 3300 C CG . LEU C 3 51 ? -72.695 -31.603 23.589 1.00 21.42 ? 49 LEU C CG 1 ATOM 3301 C CD1 . LEU C 3 51 ? -72.522 -32.868 24.384 1.00 20.71 ? 49 LEU C CD1 1 ATOM 3302 C CD2 . LEU C 3 51 ? -73.539 -30.584 24.330 1.00 22.96 ? 49 LEU C CD2 1 ATOM 3303 N N . VAL C 3 52 ? -69.531 -29.044 21.149 1.00 25.49 ? 50 VAL C N 1 ATOM 3304 C CA . VAL C 3 52 ? -68.243 -28.525 20.649 1.00 26.23 ? 50 VAL C CA 1 ATOM 3305 C C . VAL C 3 52 ? -67.773 -27.231 21.378 1.00 28.21 ? 50 VAL C C 1 ATOM 3306 O O . VAL C 3 52 ? -66.625 -26.861 21.257 1.00 26.75 ? 50 VAL C O 1 ATOM 3307 C CB . VAL C 3 52 ? -68.304 -28.263 19.109 1.00 27.48 ? 50 VAL C CB 1 ATOM 3308 C CG1 . VAL C 3 52 ? -68.674 -29.525 18.341 1.00 25.86 ? 50 VAL C CG1 1 ATOM 3309 C CG2 . VAL C 3 52 ? -69.326 -27.117 18.753 1.00 28.37 ? 50 VAL C CG2 1 ATOM 3310 N N . ASP C 3 53 ? -68.673 -26.557 22.114 1.00 29.76 ? 51 ASP C N 1 ATOM 3311 C CA . ASP C 3 53 ? -68.335 -25.272 22.726 1.00 32.65 ? 51 ASP C CA 1 ATOM 3312 C C . ASP C 3 53 ? -67.903 -25.424 24.198 1.00 32.77 ? 51 ASP C C 1 ATOM 3313 O O . ASP C 3 53 ? -68.161 -26.454 24.853 1.00 31.10 ? 51 ASP C O 1 ATOM 3314 C CB . ASP C 3 53 ? -69.508 -24.290 22.614 1.00 35.14 ? 51 ASP C CB 1 ATOM 3315 C CG . ASP C 3 53 ? -69.674 -23.700 21.202 1.00 41.27 ? 51 ASP C CG 1 ATOM 3316 O OD1 . ASP C 3 53 ? -68.681 -23.675 20.418 1.00 43.77 ? 51 ASP C OD1 1 ATOM 3317 O OD2 . ASP C 3 53 ? -70.803 -23.208 20.889 1.00 46.85 ? 51 ASP C OD2 1 ATOM 3318 N N . GLN C 3 54 ? -67.235 -24.399 24.697 1.00 34.10 ? 52 GLN C N 1 ATOM 3319 C CA . GLN C 3 54 ? -66.735 -24.368 26.050 1.00 35.63 ? 52 GLN C CA 1 ATOM 3320 C C . GLN C 3 54 ? -67.825 -24.703 27.071 1.00 35.27 ? 52 GLN C C 1 ATOM 3321 O O . GLN C 3 54 ? -67.620 -25.549 27.951 1.00 33.58 ? 52 GLN C O 1 ATOM 3322 C CB . GLN C 3 54 ? -66.153 -22.977 26.315 1.00 38.56 ? 52 GLN C CB 1 ATOM 3323 C CG . GLN C 3 54 ? -65.330 -22.859 27.564 1.00 45.53 ? 52 GLN C CG 1 ATOM 3324 C CD . GLN C 3 54 ? -63.978 -23.557 27.440 1.00 52.25 ? 52 GLN C CD 1 ATOM 3325 O OE1 . GLN C 3 54 ? -63.464 -23.784 26.327 1.00 54.49 ? 52 GLN C OE1 1 ATOM 3326 N NE2 . GLN C 3 54 ? -63.389 -23.899 28.590 1.00 54.65 ? 52 GLN C NE2 1 ATOM 3327 N N . LYS C 3 55 ? -68.951 -23.991 26.957 1.00 36.40 ? 53 LYS C N 1 ATOM 3328 C CA . LYS C 3 55 ? -70.208 -24.254 27.658 1.00 37.00 ? 53 LYS C CA 1 ATOM 3329 C C . LYS C 3 55 ? -71.195 -24.495 26.529 1.00 36.28 ? 53 LYS C C 1 ATOM 3330 O O . LYS C 3 55 ? -71.401 -23.627 25.679 1.00 39.17 ? 53 LYS C O 1 ATOM 3331 C CB . LYS C 3 55 ? -70.679 -23.032 28.457 1.00 39.99 ? 53 LYS C CB 1 ATOM 3332 C CG . LYS C 3 55 ? -69.701 -22.477 29.481 1.00 43.38 ? 53 LYS C CG 1 ATOM 3333 C CD . LYS C 3 55 ? -69.683 -23.311 30.750 1.00 47.21 ? 53 LYS C CD 1 ATOM 3334 C CE . LYS C 3 55 ? -69.143 -22.504 31.939 1.00 53.03 ? 53 LYS C CE 1 ATOM 3335 N NZ . LYS C 3 55 ? -67.656 -22.530 31.975 1.00 54.70 ? 53 LYS C NZ 1 ATOM 3336 N N . ASP C 3 56 ? -71.777 -25.673 26.472 1.00 34.15 ? 54 ASP C N 1 ATOM 3337 C CA . ASP C 3 56 ? -72.615 -26.030 25.343 1.00 32.37 ? 54 ASP C CA 1 ATOM 3338 C C . ASP C 3 56 ? -73.841 -26.816 25.784 1.00 31.78 ? 54 ASP C C 1 ATOM 3339 O O . ASP C 3 56 ? -73.810 -27.483 26.837 1.00 31.09 ? 54 ASP C O 1 ATOM 3340 C CB . ASP C 3 56 ? -71.795 -26.815 24.334 1.00 30.18 ? 54 ASP C CB 1 ATOM 3341 C CG . ASP C 3 56 ? -72.297 -26.653 22.907 1.00 31.48 ? 54 ASP C CG 1 ATOM 3342 O OD1 . ASP C 3 56 ? -73.307 -25.959 22.705 1.00 34.82 ? 54 ASP C OD1 1 ATOM 3343 O OD2 . ASP C 3 56 ? -71.677 -27.214 21.976 1.00 35.02 ? 54 ASP C OD2 1 ATOM 3344 N N . LYS C 3 57 ? -74.907 -26.729 24.981 1.00 31.72 ? 55 LYS C N 1 ATOM 3345 C CA . LYS C 3 57 ? -76.173 -27.468 25.187 1.00 31.40 ? 55 LYS C CA 1 ATOM 3346 C C . LYS C 3 57 ? -76.725 -27.885 23.830 1.00 30.88 ? 55 LYS C C 1 ATOM 3347 O O . LYS C 3 57 ? -76.697 -27.110 22.880 1.00 31.81 ? 55 LYS C O 1 ATOM 3348 C CB . LYS C 3 57 ? -77.243 -26.600 25.841 1.00 33.53 ? 55 LYS C CB 1 ATOM 3349 C CG . LYS C 3 57 ? -76.908 -26.064 27.225 1.00 38.36 ? 55 LYS C CG 1 ATOM 3350 C CD . LYS C 3 57 ? -78.140 -25.467 27.897 1.00 43.09 ? 55 LYS C CD 1 ATOM 3351 C CE . LYS C 3 57 ? -77.881 -25.192 29.380 1.00 46.85 ? 55 LYS C CE 1 ATOM 3352 N NZ . LYS C 3 57 ? -77.101 -23.914 29.511 1.00 51.55 ? 55 LYS C NZ 1 ATOM 3353 N N . THR C 3 58 ? -77.245 -29.093 23.735 1.00 28.99 ? 56 THR C N 1 ATOM 3354 C CA . THR C 3 58 ? -77.818 -29.554 22.480 1.00 30.19 ? 56 THR C CA 1 ATOM 3355 C C . THR C 3 58 ? -79.058 -30.357 22.798 1.00 30.55 ? 56 THR C C 1 ATOM 3356 O O . THR C 3 58 ? -79.298 -30.721 23.949 1.00 28.83 ? 56 THR C O 1 ATOM 3357 C CB . THR C 3 58 ? -76.872 -30.506 21.721 1.00 28.45 ? 56 THR C CB 1 ATOM 3358 O OG1 . THR C 3 58 ? -76.488 -31.556 22.611 1.00 26.12 ? 56 THR C OG1 1 ATOM 3359 C CG2 . THR C 3 58 ? -75.602 -29.770 21.156 1.00 27.52 ? 56 THR C CG2 1 ATOM 3360 N N . SER C 3 59 ? -79.858 -30.613 21.767 1.00 32.51 ? 57 SER C N 1 ATOM 3361 C CA . SER C 3 59 ? -81.023 -31.472 21.906 1.00 32.78 ? 57 SER C CA 1 ATOM 3362 C C . SER C 3 59 ? -81.356 -32.145 20.595 1.00 33.21 ? 57 SER C C 1 ATOM 3363 O O . SER C 3 59 ? -80.900 -31.760 19.523 1.00 33.55 ? 57 SER C O 1 ATOM 3364 C CB . SER C 3 59 ? -82.220 -30.698 22.400 1.00 34.43 ? 57 SER C CB 1 ATOM 3365 O OG . SER C 3 59 ? -82.471 -29.614 21.538 1.00 39.17 ? 57 SER C OG 1 ATOM 3366 N N . ASN C 3 60 ? -82.164 -33.174 20.705 1.00 32.41 ? 58 ASN C N 1 ATOM 3367 C CA . ASN C 3 60 ? -82.448 -34.049 19.604 1.00 32.90 ? 58 ASN C CA 1 ATOM 3368 C C . ASN C 3 60 ? -83.622 -34.859 20.099 1.00 31.92 ? 58 ASN C C 1 ATOM 3369 O O . ASN C 3 60 ? -83.414 -35.899 20.724 1.00 30.01 ? 58 ASN C O 1 ATOM 3370 C CB . ASN C 3 60 ? -81.245 -34.995 19.327 1.00 31.01 ? 58 ASN C CB 1 ATOM 3371 C CG . ASN C 3 60 ? -81.529 -36.011 18.185 1.00 35.24 ? 58 ASN C CG 1 ATOM 3372 O OD1 . ASN C 3 60 ? -82.613 -35.998 17.584 1.00 38.43 ? 58 ASN C OD1 1 ATOM 3373 N ND2 . ASN C 3 60 ? -80.542 -36.887 17.883 1.00 33.34 ? 58 ASN C ND2 1 ATOM 3374 N N . GLY C 3 61 ? -84.827 -34.357 19.858 1.00 32.57 ? 59 GLY C N 1 ATOM 3375 C CA . GLY C 3 61 ? -86.030 -35.006 20.339 1.00 34.32 ? 59 GLY C CA 1 ATOM 3376 C C . GLY C 3 61 ? -86.056 -35.048 21.865 1.00 33.25 ? 59 GLY C C 1 ATOM 3377 O O . GLY C 3 61 ? -85.894 -34.038 22.528 1.00 33.65 ? 59 GLY C O 1 ATOM 3378 N N . ARG C 3 62 ? -86.204 -36.241 22.413 1.00 32.28 ? 60 ARG C N 1 ATOM 3379 C CA . ARG C 3 62 ? -86.341 -36.424 23.852 1.00 31.10 ? 60 ARG C CA 1 ATOM 3380 C C . ARG C 3 62 ? -84.943 -36.429 24.505 1.00 29.01 ? 60 ARG C C 1 ATOM 3381 O O . ARG C 3 62 ? -84.848 -36.529 25.724 1.00 28.51 ? 60 ARG C O 1 ATOM 3382 C CB . ARG C 3 62 ? -87.154 -37.712 24.134 1.00 30.89 ? 60 ARG C CB 1 ATOM 3383 C CG . ARG C 3 62 ? -88.654 -37.683 23.595 1.00 34.28 ? 60 ARG C CG 1 ATOM 3384 C CD . ARG C 3 62 ? -89.250 -39.124 23.263 1.00 38.44 ? 60 ARG C CD 1 ATOM 3385 N NE . ARG C 3 62 ? -88.644 -40.045 24.190 1.00 43.25 ? 60 ARG C NE 1 ATOM 3386 C CZ . ARG C 3 62 ? -87.678 -40.933 23.959 1.00 43.74 ? 60 ARG C CZ 1 ATOM 3387 N NH1 . ARG C 3 62 ? -87.239 -41.243 22.751 1.00 43.97 ? 60 ARG C NH1 1 ATOM 3388 N NH2 . ARG C 3 62 ? -87.197 -41.580 25.005 1.00 46.86 ? 60 ARG C NH2 1 ATOM 3389 N N . TYR C 3 63 ? -83.879 -36.320 23.694 1.00 27.71 ? 62 TYR C N 1 ATOM 3390 C CA . TYR C 3 63 ? -82.475 -36.242 24.193 1.00 26.84 ? 62 TYR C CA 1 ATOM 3391 C C . TYR C 3 63 ? -82.000 -34.793 24.303 1.00 26.78 ? 62 TYR C C 1 ATOM 3392 O O . TYR C 3 63 ? -82.192 -34.029 23.380 1.00 28.02 ? 62 TYR C O 1 ATOM 3393 C CB . TYR C 3 63 ? -81.468 -36.980 23.265 1.00 25.85 ? 62 TYR C CB 1 ATOM 3394 C CG . TYR C 3 63 ? -81.817 -38.440 22.991 1.00 30.43 ? 62 TYR C CG 1 ATOM 3395 C CD1 . TYR C 3 63 ? -82.097 -38.907 21.688 1.00 32.92 ? 62 TYR C CD1 1 ATOM 3396 C CD2 . TYR C 3 63 ? -81.904 -39.343 24.033 1.00 33.77 ? 62 TYR C CD2 1 ATOM 3397 C CE1 . TYR C 3 63 ? -82.429 -40.241 21.475 1.00 35.93 ? 62 TYR C CE1 1 ATOM 3398 C CE2 . TYR C 3 63 ? -82.238 -40.656 23.812 1.00 36.52 ? 62 TYR C CE2 1 ATOM 3399 C CZ . TYR C 3 63 ? -82.490 -41.102 22.555 1.00 36.17 ? 62 TYR C CZ 1 ATOM 3400 O OH . TYR C 3 63 ? -82.830 -42.432 22.442 1.00 42.29 ? 62 TYR C OH 1 ATOM 3401 N N . SER C 3 64 ? -81.398 -34.432 25.434 1.00 26.26 ? 63 SER C N 1 ATOM 3402 C CA . SER C 3 64 ? -80.608 -33.199 25.554 1.00 26.88 ? 63 SER C CA 1 ATOM 3403 C C . SER C 3 64 ? -79.287 -33.456 26.276 1.00 25.81 ? 63 SER C C 1 ATOM 3404 O O . SER C 3 64 ? -79.104 -34.459 26.995 1.00 25.90 ? 63 SER C O 1 ATOM 3405 C CB . SER C 3 64 ? -81.378 -32.028 26.207 1.00 28.46 ? 63 SER C CB 1 ATOM 3406 O OG . SER C 3 64 ? -82.215 -32.491 27.263 1.00 28.55 ? 63 SER C OG 1 ATOM 3407 N N . ALA C 3 65 ? -78.337 -32.559 26.061 1.00 25.35 ? 64 ALA C N 1 ATOM 3408 C CA . ALA C 3 65 ? -77.026 -32.775 26.589 1.00 23.55 ? 64 ALA C CA 1 ATOM 3409 C C . ALA C 3 65 ? -76.435 -31.442 26.948 1.00 24.23 ? 64 ALA C C 1 ATOM 3410 O O . ALA C 3 65 ? -76.779 -30.436 26.341 1.00 24.47 ? 64 ALA C O 1 ATOM 3411 C CB . ALA C 3 65 ? -76.141 -33.553 25.552 1.00 21.18 ? 64 ALA C CB 1 ATOM 3412 N N . THR C 3 66 ? -75.542 -31.449 27.939 1.00 24.02 ? 65 THR C N 1 ATOM 3413 C CA . THR C 3 66 ? -74.773 -30.256 28.308 1.00 25.88 ? 65 THR C CA 1 ATOM 3414 C C . THR C 3 66 ? -73.271 -30.617 28.249 1.00 25.15 ? 65 THR C C 1 ATOM 3415 O O . THR C 3 66 ? -72.891 -31.771 28.442 1.00 23.83 ? 65 THR C O 1 ATOM 3416 C CB . THR C 3 66 ? -75.099 -29.858 29.746 1.00 27.57 ? 65 THR C CB 1 ATOM 3417 O OG1 . THR C 3 66 ? -74.683 -30.953 30.591 1.00 28.17 ? 65 THR C OG1 1 ATOM 3418 C CG2 . THR C 3 66 ? -76.651 -29.599 29.938 1.00 25.18 ? 65 THR C CG2 1 ATOM 3419 N N . LEU C 3 67 ? -72.415 -29.636 28.010 1.00 25.98 ? 66 LEU C N 1 ATOM 3420 C CA . LEU C 3 67 ? -70.973 -29.858 28.134 1.00 25.05 ? 66 LEU C CA 1 ATOM 3421 C C . LEU C 3 67 ? -70.411 -28.661 28.823 1.00 27.81 ? 66 LEU C C 1 ATOM 3422 O O . LEU C 3 67 ? -70.754 -27.509 28.462 1.00 28.58 ? 66 LEU C O 1 ATOM 3423 C CB . LEU C 3 67 ? -70.299 -29.991 26.753 1.00 24.19 ? 66 LEU C CB 1 ATOM 3424 C CG . LEU C 3 67 ? -68.767 -29.967 26.674 1.00 22.92 ? 66 LEU C CG 1 ATOM 3425 C CD1 . LEU C 3 67 ? -68.163 -31.167 27.433 1.00 22.88 ? 66 LEU C CD1 1 ATOM 3426 C CD2 . LEU C 3 67 ? -68.319 -29.967 25.250 1.00 18.54 ? 66 LEU C CD2 1 ATOM 3427 N N . ASP C 3 68 ? -69.546 -28.923 29.808 1.00 28.24 ? 67 ASP C N 1 ATOM 3428 C CA . ASP C 3 68 ? -68.781 -27.880 30.481 1.00 29.72 ? 67 ASP C CA 1 ATOM 3429 C C . ASP C 3 68 ? -67.335 -28.317 30.400 1.00 28.94 ? 67 ASP C C 1 ATOM 3430 O O . ASP C 3 68 ? -66.929 -29.203 31.136 1.00 28.62 ? 67 ASP C O 1 ATOM 3431 C CB . ASP C 3 68 ? -69.218 -27.736 31.941 1.00 31.78 ? 67 ASP C CB 1 ATOM 3432 C CG . ASP C 3 68 ? -68.441 -26.658 32.690 1.00 36.58 ? 67 ASP C CG 1 ATOM 3433 O OD1 . ASP C 3 68 ? -67.374 -26.225 32.210 1.00 37.61 ? 67 ASP C OD1 1 ATOM 3434 O OD2 . ASP C 3 68 ? -68.928 -26.200 33.745 1.00 45.12 ? 67 ASP C OD2 1 ATOM 3435 N N . LYS C 3 69 ? -66.571 -27.702 29.495 1.00 29.29 ? 68 LYS C N 1 ATOM 3436 C CA . LYS C 3 69 ? -65.174 -28.021 29.294 1.00 28.64 ? 68 LYS C CA 1 ATOM 3437 C C . LYS C 3 69 ? -64.275 -27.629 30.469 1.00 32.35 ? 68 LYS C C 1 ATOM 3438 O O . LYS C 3 69 ? -63.270 -28.287 30.691 1.00 33.24 ? 68 LYS C O 1 ATOM 3439 C CB . LYS C 3 69 ? -64.651 -27.390 28.001 1.00 28.21 ? 68 LYS C CB 1 ATOM 3440 C CG . LYS C 3 69 ? -65.215 -27.994 26.714 1.00 24.17 ? 68 LYS C CG 1 ATOM 3441 C CD . LYS C 3 69 ? -64.338 -27.664 25.485 1.00 24.80 ? 68 LYS C CD 1 ATOM 3442 C CE . LYS C 3 69 ? -65.044 -28.058 24.181 1.00 23.19 ? 68 LYS C CE 1 ATOM 3443 N NZ . LYS C 3 69 ? -64.273 -27.749 22.913 1.00 22.58 ? 68 LYS C NZ 1 ATOM 3444 N N . ASP C 3 70 ? -64.604 -26.565 31.203 1.00 35.53 ? 69 ASP C N 1 ATOM 3445 C CA . ASP C 3 70 ? -63.837 -26.194 32.392 1.00 39.08 ? 69 ASP C CA 1 ATOM 3446 C C . ASP C 3 70 ? -63.889 -27.340 33.420 1.00 38.54 ? 69 ASP C C 1 ATOM 3447 O O . ASP C 3 70 ? -62.866 -27.710 33.992 1.00 39.71 ? 69 ASP C O 1 ATOM 3448 C CB . ASP C 3 70 ? -64.384 -24.924 33.050 1.00 42.79 ? 69 ASP C CB 1 ATOM 3449 C CG . ASP C 3 70 ? -64.233 -23.693 32.191 1.00 48.08 ? 69 ASP C CG 1 ATOM 3450 O OD1 . ASP C 3 70 ? -64.940 -22.699 32.478 1.00 55.88 ? 69 ASP C OD1 1 ATOM 3451 O OD2 . ASP C 3 70 ? -63.405 -23.676 31.252 1.00 50.97 ? 69 ASP C OD2 1 ATOM 3452 N N . ALA C 3 71 ? -65.072 -27.903 33.634 1.00 36.50 ? 70 ALA C N 1 ATOM 3453 C CA . ALA C 3 71 ? -65.214 -29.057 34.536 1.00 35.75 ? 70 ALA C CA 1 ATOM 3454 C C . ALA C 3 71 ? -64.996 -30.435 33.866 1.00 32.68 ? 70 ALA C C 1 ATOM 3455 O O . ALA C 3 71 ? -65.019 -31.461 34.526 1.00 32.89 ? 70 ALA C O 1 ATOM 3456 C CB . ALA C 3 71 ? -66.556 -29.012 35.240 1.00 35.40 ? 70 ALA C CB 1 ATOM 3457 N N . LYS C 3 72 ? -64.797 -30.463 32.561 1.00 30.53 ? 71 LYS C N 1 ATOM 3458 C CA . LYS C 3 72 ? -64.673 -31.737 31.840 1.00 28.49 ? 71 LYS C CA 1 ATOM 3459 C C . LYS C 3 72 ? -65.796 -32.721 32.226 1.00 28.26 ? 71 LYS C C 1 ATOM 3460 O O . LYS C 3 72 ? -65.582 -33.871 32.678 1.00 26.75 ? 71 LYS C O 1 ATOM 3461 C CB . LYS C 3 72 ? -63.276 -32.338 31.990 1.00 29.09 ? 71 LYS C CB 1 ATOM 3462 C CG . LYS C 3 72 ? -62.142 -31.347 31.749 1.00 30.35 ? 71 LYS C CG 1 ATOM 3463 C CD . LYS C 3 72 ? -60.864 -32.030 31.275 1.00 31.73 ? 71 LYS C CD 1 ATOM 3464 C CE . LYS C 3 72 ? -59.935 -31.005 30.648 1.00 32.01 ? 71 LYS C CE 1 ATOM 3465 N NZ . LYS C 3 72 ? -59.001 -31.637 29.691 1.00 34.74 ? 71 LYS C NZ 1 ATOM 3466 N N . HIS C 3 73 ? -67.016 -32.242 32.000 1.00 27.88 ? 72 HIS C N 1 ATOM 3467 C CA . HIS C 3 73 ? -68.205 -32.900 32.469 1.00 27.95 ? 72 HIS C CA 1 ATOM 3468 C C . HIS C 3 73 ? -69.337 -32.741 31.456 1.00 26.95 ? 72 HIS C C 1 ATOM 3469 O O . HIS C 3 73 ? -69.633 -31.627 30.991 1.00 27.65 ? 72 HIS C O 1 ATOM 3470 C CB . HIS C 3 73 ? -68.596 -32.276 33.810 1.00 30.13 ? 72 HIS C CB 1 ATOM 3471 C CG . HIS C 3 73 ? -69.853 -32.837 34.385 1.00 31.95 ? 72 HIS C CG 1 ATOM 3472 N ND1 . HIS C 3 73 ? -70.969 -32.065 34.641 1.00 35.26 ? 72 HIS C ND1 1 ATOM 3473 C CD2 . HIS C 3 73 ? -70.180 -34.101 34.729 1.00 33.11 ? 72 HIS C CD2 1 ATOM 3474 C CE1 . HIS C 3 73 ? -71.926 -32.835 35.125 1.00 37.03 ? 72 HIS C CE1 1 ATOM 3475 N NE2 . HIS C 3 73 ? -71.472 -34.076 35.188 1.00 35.89 ? 72 HIS C NE2 1 ATOM 3476 N N . SER C 3 74 ? -69.973 -33.848 31.125 1.00 25.32 ? 73 SER C N 1 ATOM 3477 C CA . SER C 3 74 ? -71.139 -33.808 30.282 1.00 25.35 ? 73 SER C CA 1 ATOM 3478 C C . SER C 3 74 ? -72.304 -34.623 30.875 1.00 24.97 ? 73 SER C C 1 ATOM 3479 O O . SER C 3 74 ? -72.080 -35.636 31.537 1.00 24.67 ? 73 SER C O 1 ATOM 3480 C CB . SER C 3 74 ? -70.774 -34.349 28.915 1.00 24.43 ? 73 SER C CB 1 ATOM 3481 O OG . SER C 3 74 ? -71.840 -34.179 27.995 1.00 28.29 ? 73 SER C OG 1 ATOM 3482 N N . THR C 3 75 ? -73.544 -34.202 30.613 1.00 25.09 ? 74 THR C N 1 ATOM 3483 C CA . THR C 3 75 ? -74.709 -35.021 30.950 1.00 25.27 ? 74 THR C CA 1 ATOM 3484 C C . THR C 3 75 ? -75.558 -35.266 29.709 1.00 24.69 ? 74 THR C C 1 ATOM 3485 O O . THR C 3 75 ? -75.630 -34.414 28.833 1.00 24.67 ? 74 THR C O 1 ATOM 3486 C CB . THR C 3 75 ? -75.619 -34.337 31.950 1.00 27.61 ? 74 THR C CB 1 ATOM 3487 O OG1 . THR C 3 75 ? -76.107 -33.120 31.348 1.00 32.10 ? 74 THR C OG1 1 ATOM 3488 C CG2 . THR C 3 75 ? -74.857 -34.008 33.260 1.00 28.54 ? 74 THR C CG2 1 ATOM 3489 N N . LEU C 3 76 ? -76.180 -36.443 29.641 1.00 23.41 ? 75 LEU C N 1 ATOM 3490 C CA . LEU C 3 76 ? -77.212 -36.736 28.670 1.00 23.46 ? 75 LEU C CA 1 ATOM 3491 C C . LEU C 3 76 ? -78.546 -36.978 29.416 1.00 23.71 ? 75 LEU C C 1 ATOM 3492 O O . LEU C 3 76 ? -78.646 -37.853 30.277 1.00 23.12 ? 75 LEU C O 1 ATOM 3493 C CB . LEU C 3 76 ? -76.820 -37.951 27.834 1.00 22.15 ? 75 LEU C CB 1 ATOM 3494 C CG . LEU C 3 76 ? -77.820 -38.522 26.820 1.00 24.26 ? 75 LEU C CG 1 ATOM 3495 C CD1 . LEU C 3 76 ? -77.924 -37.606 25.596 1.00 22.41 ? 75 LEU C CD1 1 ATOM 3496 C CD2 . LEU C 3 76 ? -77.424 -39.947 26.356 1.00 18.40 ? 75 LEU C CD2 1 ATOM 3497 N N . HIS C 3 77 ? -79.548 -36.182 29.060 1.00 23.76 ? 76 HIS C N 1 ATOM 3498 C CA A HIS C 3 77 ? -80.850 -36.249 29.669 0.50 24.40 ? 76 HIS C CA 1 ATOM 3499 C CA B HIS C 3 77 ? -80.879 -36.246 29.670 0.50 24.72 ? 76 HIS C CA 1 ATOM 3500 C C . HIS C 3 77 ? -81.782 -36.941 28.667 1.00 25.34 ? 76 HIS C C 1 ATOM 3501 O O . HIS C 3 77 ? -81.778 -36.598 27.466 1.00 25.35 ? 76 HIS C O 1 ATOM 3502 C CB A HIS C 3 77 ? -81.341 -34.828 29.991 0.50 25.12 ? 76 HIS C CB 1 ATOM 3503 C CB B HIS C 3 77 ? -81.426 -34.831 29.995 0.50 25.74 ? 76 HIS C CB 1 ATOM 3504 C CG A HIS C 3 77 ? -80.476 -34.077 30.967 0.50 24.52 ? 76 HIS C CG 1 ATOM 3505 C CG B HIS C 3 77 ? -82.688 -34.819 30.825 0.50 27.15 ? 76 HIS C CG 1 ATOM 3506 N ND1 A HIS C 3 77 ? -80.971 -33.547 32.138 0.50 25.55 ? 76 HIS C ND1 1 ATOM 3507 N ND1 B HIS C 3 77 ? -83.958 -34.895 30.273 0.50 28.35 ? 76 HIS C ND1 1 ATOM 3508 C CD2 A HIS C 3 77 ? -79.164 -33.729 30.929 0.50 20.78 ? 76 HIS C CD2 1 ATOM 3509 C CD2 B HIS C 3 77 ? -82.874 -34.734 32.166 0.50 26.46 ? 76 HIS C CD2 1 ATOM 3510 C CE1 A HIS C 3 77 ? -80.006 -32.928 32.791 0.50 22.04 ? 76 HIS C CE1 1 ATOM 3511 C CE1 B HIS C 3 77 ? -84.865 -34.860 31.237 0.50 25.71 ? 76 HIS C CE1 1 ATOM 3512 N NE2 A HIS C 3 77 ? -78.897 -33.034 32.083 0.50 21.83 ? 76 HIS C NE2 1 ATOM 3513 N NE2 B HIS C 3 77 ? -84.232 -34.763 32.393 0.50 28.48 ? 76 HIS C NE2 1 ATOM 3514 N N . ILE C 3 78 ? -82.546 -37.922 29.146 1.00 26.00 ? 77 ILE C N 1 ATOM 3515 C CA . ILE C 3 78 ? -83.538 -38.567 28.332 1.00 27.03 ? 77 ILE C CA 1 ATOM 3516 C C . ILE C 3 78 ? -84.835 -38.200 29.012 1.00 29.32 ? 77 ILE C C 1 ATOM 3517 O O . ILE C 3 78 ? -85.030 -38.531 30.182 1.00 30.01 ? 77 ILE C O 1 ATOM 3518 C CB . ILE C 3 78 ? -83.367 -40.078 28.305 1.00 26.89 ? 77 ILE C CB 1 ATOM 3519 C CG1 . ILE C 3 78 ? -82.012 -40.405 27.698 1.00 27.18 ? 77 ILE C CG1 1 ATOM 3520 C CG2 . ILE C 3 78 ? -84.517 -40.730 27.453 1.00 26.96 ? 77 ILE C CG2 1 ATOM 3521 C CD1 . ILE C 3 78 ? -81.509 -41.787 27.930 1.00 26.53 ? 77 ILE C CD1 1 ATOM 3522 N N . THR C 3 79 ? -85.685 -37.440 28.323 1.00 29.78 ? 78 THR C N 1 ATOM 3523 C CA . THR C 3 79 ? -86.994 -37.090 28.853 1.00 30.72 ? 78 THR C CA 1 ATOM 3524 C C . THR C 3 79 ? -88.029 -38.162 28.463 1.00 30.74 ? 78 THR C C 1 ATOM 3525 O O . THR C 3 79 ? -88.037 -38.637 27.325 1.00 30.12 ? 78 THR C O 1 ATOM 3526 C CB . THR C 3 79 ? -87.468 -35.718 28.313 1.00 32.82 ? 78 THR C CB 1 ATOM 3527 O OG1 . THR C 3 79 ? -86.533 -34.714 28.713 1.00 34.77 ? 78 THR C OG1 1 ATOM 3528 C CG2 . THR C 3 79 ? -88.861 -35.357 28.871 1.00 33.46 ? 78 THR C CG2 1 ATOM 3529 N N . ALA C 3 80 ? -88.898 -38.519 29.407 1.00 30.96 ? 79 ALA C N 1 ATOM 3530 C CA . ALA C 3 80 ? -89.986 -39.471 29.161 1.00 32.47 ? 79 ALA C CA 1 ATOM 3531 C C . ALA C 3 80 ? -89.481 -40.756 28.421 1.00 31.07 ? 79 ALA C C 1 ATOM 3532 O O . ALA C 3 80 ? -89.754 -40.957 27.240 1.00 32.62 ? 79 ALA C O 1 ATOM 3533 C CB . ALA C 3 80 ? -91.140 -38.766 28.378 1.00 32.40 ? 79 ALA C CB 1 ATOM 3534 N N . THR C 3 81 ? -88.742 -41.606 29.117 1.00 29.81 ? 80 THR C N 1 ATOM 3535 C CA . THR C 3 81 ? -88.140 -42.793 28.496 1.00 29.65 ? 80 THR C CA 1 ATOM 3536 C C . THR C 3 81 ? -89.180 -43.705 27.845 1.00 31.13 ? 80 THR C C 1 ATOM 3537 O O . THR C 3 81 ? -90.294 -43.847 28.341 1.00 32.28 ? 80 THR C O 1 ATOM 3538 C CB . THR C 3 81 ? -87.371 -43.642 29.516 1.00 28.81 ? 80 THR C CB 1 ATOM 3539 O OG1 . THR C 3 81 ? -88.209 -43.893 30.664 1.00 28.10 ? 80 THR C OG1 1 ATOM 3540 C CG2 . THR C 3 81 ? -86.098 -42.910 29.950 1.00 27.32 ? 80 THR C CG2 1 ATOM 3541 N N . LEU C 3 82 ? -88.794 -44.315 26.731 1.00 31.98 ? 81 LEU C N 1 ATOM 3542 C CA . LEU C 3 82 ? -89.593 -45.363 26.095 1.00 33.81 ? 81 LEU C CA 1 ATOM 3543 C C . LEU C 3 82 ? -88.783 -46.643 26.119 1.00 33.35 ? 81 LEU C C 1 ATOM 3544 O O . LEU C 3 82 ? -87.562 -46.620 26.289 1.00 30.77 ? 81 LEU C O 1 ATOM 3545 C CB . LEU C 3 82 ? -89.904 -44.994 24.647 1.00 35.68 ? 81 LEU C CB 1 ATOM 3546 C CG . LEU C 3 82 ? -90.679 -43.685 24.477 1.00 39.24 ? 81 LEU C CG 1 ATOM 3547 C CD1 . LEU C 3 82 ? -90.552 -43.210 23.034 1.00 42.89 ? 81 LEU C CD1 1 ATOM 3548 C CD2 . LEU C 3 82 ? -92.160 -43.862 24.896 1.00 39.96 ? 81 LEU C CD2 1 ATOM 3549 N N . LEU C 3 83 ? -89.497 -47.752 25.983 1.00 35.02 ? 82 LEU C N 1 ATOM 3550 C CA . LEU C 3 83 ? -88.953 -49.068 25.746 1.00 36.41 ? 82 LEU C CA 1 ATOM 3551 C C . LEU C 3 83 ? -87.754 -49.097 24.805 1.00 36.37 ? 82 LEU C C 1 ATOM 3552 O O . LEU C 3 83 ? -86.763 -49.744 25.129 1.00 36.42 ? 82 LEU C O 1 ATOM 3553 C CB . LEU C 3 83 ? -90.035 -49.950 25.155 1.00 38.74 ? 82 LEU C CB 1 ATOM 3554 C CG . LEU C 3 83 ? -89.998 -51.365 25.685 1.00 42.42 ? 82 LEU C CG 1 ATOM 3555 C CD1 . LEU C 3 83 ? -90.147 -51.251 27.210 1.00 44.27 ? 82 LEU C CD1 1 ATOM 3556 C CD2 . LEU C 3 83 ? -91.143 -52.202 25.080 1.00 44.61 ? 82 LEU C CD2 1 ATOM 3557 N N . ASP C 3 84 ? -87.849 -48.440 23.640 1.00 36.63 ? 83 ASP C N 1 ATOM 3558 C CA . ASP C 3 84 ? -86.738 -48.403 22.675 1.00 36.46 ? 83 ASP C CA 1 ATOM 3559 C C . ASP C 3 84 ? -85.503 -47.642 23.184 1.00 33.69 ? 83 ASP C C 1 ATOM 3560 O O . ASP C 3 84 ? -84.493 -47.567 22.459 1.00 32.71 ? 83 ASP C O 1 ATOM 3561 C CB . ASP C 3 84 ? -87.177 -47.813 21.311 1.00 39.20 ? 83 ASP C CB 1 ATOM 3562 C CG . ASP C 3 84 ? -88.066 -48.782 20.478 1.00 47.02 ? 83 ASP C CG 1 ATOM 3563 O OD1 . ASP C 3 84 ? -88.690 -49.733 21.029 1.00 50.96 ? 83 ASP C OD1 1 ATOM 3564 O OD2 . ASP C 3 84 ? -88.161 -48.578 19.243 1.00 55.80 ? 83 ASP C OD2 1 ATOM 3565 N N . ASP C 3 85 ? -85.562 -47.062 24.401 1.00 30.63 ? 84 ASP C N 1 ATOM 3566 C CA . ASP C 3 85 ? -84.388 -46.385 24.956 1.00 28.36 ? 84 ASP C CA 1 ATOM 3567 C C . ASP C 3 85 ? -83.440 -47.358 25.648 1.00 27.19 ? 84 ASP C C 1 ATOM 3568 O O . ASP C 3 85 ? -82.334 -46.983 25.984 1.00 26.50 ? 84 ASP C O 1 ATOM 3569 C CB . ASP C 3 85 ? -84.759 -45.277 25.947 1.00 27.86 ? 84 ASP C CB 1 ATOM 3570 C CG . ASP C 3 85 ? -85.474 -44.105 25.296 1.00 30.92 ? 84 ASP C CG 1 ATOM 3571 O OD1 . ASP C 3 85 ? -85.387 -43.863 24.083 1.00 35.55 ? 84 ASP C OD1 1 ATOM 3572 O OD2 . ASP C 3 85 ? -86.151 -43.389 26.020 1.00 34.08 ? 84 ASP C OD2 1 ATOM 3573 N N . THR C 3 86 ? -83.905 -48.578 25.912 1.00 27.63 ? 85 THR C N 1 ATOM 3574 C CA . THR C 3 86 ? -83.084 -49.660 26.455 1.00 27.04 ? 85 THR C CA 1 ATOM 3575 C C . THR C 3 86 ? -81.843 -49.857 25.558 1.00 27.11 ? 85 THR C C 1 ATOM 3576 O O . THR C 3 86 ? -81.974 -50.159 24.365 1.00 27.92 ? 85 THR C O 1 ATOM 3577 C CB . THR C 3 86 ? -83.936 -50.958 26.539 1.00 29.46 ? 85 THR C CB 1 ATOM 3578 O OG1 . THR C 3 86 ? -85.023 -50.742 27.442 1.00 29.74 ? 85 THR C OG1 1 ATOM 3579 C CG2 . THR C 3 86 ? -83.153 -52.173 27.042 1.00 28.14 ? 85 THR C CG2 1 ATOM 3580 N N . ALA C 3 87 ? -80.646 -49.669 26.127 1.00 24.73 ? 86 ALA C N 1 ATOM 3581 C CA . ALA C 3 87 ? -79.418 -49.696 25.350 1.00 24.29 ? 86 ALA C CA 1 ATOM 3582 C C . ALA C 3 87 ? -78.259 -49.259 26.225 1.00 24.21 ? 86 ALA C C 1 ATOM 3583 O O . ALA C 3 87 ? -78.442 -48.938 27.415 1.00 24.58 ? 86 ALA C O 1 ATOM 3584 C CB . ALA C 3 87 ? -79.523 -48.744 24.153 1.00 23.30 ? 86 ALA C CB 1 ATOM 3585 N N . THR C 3 88 ? -77.074 -49.236 25.627 1.00 23.63 ? 87 THR C N 1 ATOM 3586 C CA . THR C 3 88 ? -75.877 -48.740 26.270 1.00 23.81 ? 87 THR C CA 1 ATOM 3587 C C . THR C 3 88 ? -75.585 -47.363 25.661 1.00 21.84 ? 87 THR C C 1 ATOM 3588 O O . THR C 3 88 ? -75.580 -47.221 24.432 1.00 22.95 ? 87 THR C O 1 ATOM 3589 C CB . THR C 3 88 ? -74.728 -49.704 25.999 1.00 24.18 ? 87 THR C CB 1 ATOM 3590 O OG1 . THR C 3 88 ? -75.022 -50.955 26.610 1.00 27.54 ? 87 THR C OG1 1 ATOM 3591 C CG2 . THR C 3 88 ? -73.389 -49.170 26.533 1.00 25.52 ? 87 THR C CG2 1 ATOM 3592 N N . TYR C 3 89 ? -75.346 -46.364 26.499 1.00 21.10 ? 88 TYR C N 1 ATOM 3593 C CA . TYR C 3 89 ? -75.032 -44.987 26.030 1.00 19.33 ? 88 TYR C CA 1 ATOM 3594 C C . TYR C 3 89 ? -73.555 -44.747 26.271 1.00 20.04 ? 88 TYR C C 1 ATOM 3595 O O . TYR C 3 89 ? -73.086 -44.914 27.374 1.00 20.43 ? 88 TYR C O 1 ATOM 3596 C CB . TYR C 3 89 ? -75.891 -43.928 26.733 1.00 17.90 ? 88 TYR C CB 1 ATOM 3597 C CG . TYR C 3 89 ? -77.336 -44.107 26.365 1.00 20.74 ? 88 TYR C CG 1 ATOM 3598 C CD1 . TYR C 3 89 ? -78.134 -45.066 27.013 1.00 18.76 ? 88 TYR C CD1 1 ATOM 3599 C CD2 . TYR C 3 89 ? -77.882 -43.415 25.280 1.00 19.79 ? 88 TYR C CD2 1 ATOM 3600 C CE1 . TYR C 3 89 ? -79.458 -45.306 26.589 1.00 22.96 ? 88 TYR C CE1 1 ATOM 3601 C CE2 . TYR C 3 89 ? -79.167 -43.622 24.887 1.00 22.09 ? 88 TYR C CE2 1 ATOM 3602 C CZ . TYR C 3 89 ? -79.963 -44.566 25.540 1.00 23.23 ? 88 TYR C CZ 1 ATOM 3603 O OH . TYR C 3 89 ? -81.238 -44.773 25.078 1.00 24.47 ? 88 TYR C OH 1 ATOM 3604 N N . ILE C 3 90 ? -72.840 -44.343 25.223 1.00 20.80 ? 89 ILE C N 1 ATOM 3605 C CA . ILE C 3 90 ? -71.393 -44.221 25.245 1.00 20.60 ? 89 ILE C CA 1 ATOM 3606 C C . ILE C 3 90 ? -70.977 -42.756 25.010 1.00 21.46 ? 89 ILE C C 1 ATOM 3607 O O . ILE C 3 90 ? -71.432 -42.094 24.051 1.00 21.34 ? 89 ILE C O 1 ATOM 3608 C CB . ILE C 3 90 ? -70.731 -45.145 24.152 1.00 21.62 ? 89 ILE C CB 1 ATOM 3609 C CG1 . ILE C 3 90 ? -70.976 -46.626 24.494 1.00 21.81 ? 89 ILE C CG1 1 ATOM 3610 C CG2 . ILE C 3 90 ? -69.220 -44.846 24.044 1.00 19.66 ? 89 ILE C CG2 1 ATOM 3611 C CD1 . ILE C 3 90 ? -70.737 -47.635 23.355 1.00 24.07 ? 89 ILE C CD1 1 ATOM 3612 N N . CYS C 3 91 ? -70.109 -42.275 25.885 1.00 20.74 ? 90 CYS C N 1 ATOM 3613 C CA . CYS C 3 91 ? -69.554 -40.953 25.779 1.00 22.85 ? 90 CYS C CA 1 ATOM 3614 C C . CYS C 3 91 ? -68.205 -41.066 25.054 1.00 22.27 ? 90 CYS C C 1 ATOM 3615 O O . CYS C 3 91 ? -67.402 -41.967 25.364 1.00 22.38 ? 90 CYS C O 1 ATOM 3616 C CB . CYS C 3 91 ? -69.279 -40.456 27.208 1.00 23.95 ? 90 CYS C CB 1 ATOM 3617 S SG . CYS C 3 91 ? -68.756 -38.805 27.284 1.00 34.27 ? 90 CYS C SG 1 ATOM 3618 N N . VAL C 3 92 ? -67.942 -40.164 24.113 1.00 21.64 ? 91 VAL C N 1 ATOM 3619 C CA . VAL C 3 92 ? -66.663 -40.201 23.360 1.00 22.48 ? 91 VAL C CA 1 ATOM 3620 C C . VAL C 3 92 ? -66.068 -38.775 23.220 1.00 22.17 ? 91 VAL C C 1 ATOM 3621 O O . VAL C 3 92 ? -66.789 -37.836 22.844 1.00 22.11 ? 91 VAL C O 1 ATOM 3622 C CB . VAL C 3 92 ? -66.845 -40.827 21.972 1.00 22.40 ? 91 VAL C CB 1 ATOM 3623 C CG1 . VAL C 3 92 ? -65.473 -40.968 21.233 1.00 21.77 ? 91 VAL C CG1 1 ATOM 3624 C CG2 . VAL C 3 92 ? -67.516 -42.176 22.107 1.00 21.94 ? 91 VAL C CG2 1 ATOM 3625 N N . VAL C 3 93 ? -64.801 -38.610 23.601 1.00 20.98 ? 92 VAL C N 1 ATOM 3626 C CA . VAL C 3 93 ? -64.166 -37.298 23.512 1.00 20.59 ? 92 VAL C CA 1 ATOM 3627 C C . VAL C 3 93 ? -63.147 -37.269 22.374 1.00 20.85 ? 92 VAL C C 1 ATOM 3628 O O . VAL C 3 93 ? -62.245 -38.117 22.332 1.00 21.65 ? 92 VAL C O 1 ATOM 3629 C CB . VAL C 3 93 ? -63.483 -36.880 24.852 1.00 21.69 ? 92 VAL C CB 1 ATOM 3630 C CG1 . VAL C 3 93 ? -62.878 -35.439 24.761 1.00 20.46 ? 92 VAL C CG1 1 ATOM 3631 C CG2 . VAL C 3 93 ? -64.481 -36.947 26.010 1.00 18.77 ? 92 VAL C CG2 1 ATOM 3632 N N . GLY C 3 94 ? -63.311 -36.341 21.429 1.00 20.39 ? 93 GLY C N 1 ATOM 3633 C CA . GLY C 3 94 ? -62.288 -36.135 20.350 1.00 20.00 ? 93 GLY C CA 1 ATOM 3634 C C . GLY C 3 94 ? -61.240 -35.090 20.758 1.00 21.03 ? 93 GLY C C 1 ATOM 3635 O O . GLY C 3 94 ? -61.589 -33.945 21.146 1.00 21.17 ? 93 GLY C O 1 ATOM 3636 N N . ASP C 3 95 ? -59.963 -35.451 20.688 1.00 20.81 ? 94 ASP C N 1 ATOM 3637 C CA . ASP C 3 95 ? -58.929 -34.529 21.166 1.00 21.64 ? 94 ASP C CA 1 ATOM 3638 C C . ASP C 3 95 ? -58.399 -33.492 20.140 1.00 22.19 ? 94 ASP C C 1 ATOM 3639 O O . ASP C 3 95 ? -57.483 -32.746 20.475 1.00 23.68 ? 94 ASP C O 1 ATOM 3640 C CB . ASP C 3 95 ? -57.787 -35.251 21.940 1.00 20.99 ? 94 ASP C CB 1 ATOM 3641 C CG . ASP C 3 95 ? -57.015 -36.292 21.103 1.00 23.30 ? 94 ASP C CG 1 ATOM 3642 O OD1 . ASP C 3 95 ? -56.909 -36.184 19.870 1.00 21.74 ? 94 ASP C OD1 1 ATOM 3643 O OD2 . ASP C 3 95 ? -56.462 -37.240 21.716 1.00 24.13 ? 94 ASP C OD2 1 ATOM 3644 N N . ARG C 3 96 ? -58.973 -33.467 18.924 1.00 21.14 ? 95 ARG C N 1 ATOM 3645 C CA . ARG C 3 96 ? -58.660 -32.500 17.850 1.00 20.81 ? 95 ARG C CA 1 ATOM 3646 C C . ARG C 3 96 ? -59.902 -32.167 17.028 1.00 20.90 ? 95 ARG C C 1 ATOM 3647 O O . ARG C 3 96 ? -60.830 -33.004 16.903 1.00 20.46 ? 95 ARG C O 1 ATOM 3648 C CB . ARG C 3 96 ? -57.608 -33.038 16.847 1.00 21.58 ? 95 ARG C CB 1 ATOM 3649 C CG . ARG C 3 96 ? -56.250 -33.375 17.394 1.00 22.45 ? 95 ARG C CG 1 ATOM 3650 C CD . ARG C 3 96 ? -55.466 -32.179 17.934 1.00 19.84 ? 95 ARG C CD 1 ATOM 3651 N NE . ARG C 3 96 ? -54.098 -32.629 18.190 1.00 22.37 ? 95 ARG C NE 1 ATOM 3652 C CZ . ARG C 3 96 ? -53.704 -33.210 19.330 1.00 23.11 ? 95 ARG C CZ 1 ATOM 3653 N NH1 . ARG C 3 96 ? -52.444 -33.611 19.478 1.00 21.75 ? 95 ARG C NH1 1 ATOM 3654 N NH2 . ARG C 3 96 ? -54.566 -33.387 20.326 1.00 16.74 ? 95 ARG C NH2 1 ATOM 3655 N N . GLY C 3 97 ? -59.925 -30.970 16.436 1.00 21.67 ? 96 GLY C N 1 ATOM 3656 C CA . GLY C 3 97 ? -61.015 -30.632 15.485 1.00 22.38 ? 96 GLY C CA 1 ATOM 3657 C C . GLY C 3 97 ? -60.704 -31.079 14.040 1.00 24.29 ? 96 GLY C C 1 ATOM 3658 O O . GLY C 3 97 ? -61.173 -30.462 13.091 1.00 24.36 ? 96 GLY C O 1 ATOM 3659 N N . SER C 3 98 ? -59.886 -32.134 13.879 1.00 24.29 ? 97 SER C N 1 ATOM 3660 C CA . SER C 3 98 ? -59.535 -32.670 12.564 1.00 25.87 ? 97 SER C CA 1 ATOM 3661 C C . SER C 3 98 ? -59.200 -34.164 12.668 1.00 25.70 ? 97 SER C C 1 ATOM 3662 O O . SER C 3 98 ? -59.228 -34.733 13.740 1.00 25.59 ? 97 SER C O 1 ATOM 3663 C CB . SER C 3 98 ? -58.331 -31.909 11.977 1.00 27.25 ? 97 SER C CB 1 ATOM 3664 O OG . SER C 3 98 ? -57.118 -32.253 12.662 1.00 25.08 ? 97 SER C OG 1 ATOM 3665 N N . ALA C 3 99 ? -58.843 -34.770 11.542 1.00 26.58 ? 98 ALA C N 1 ATOM 3666 C CA . ALA C 3 99 ? -58.488 -36.165 11.472 1.00 26.93 ? 98 ALA C CA 1 ATOM 3667 C C . ALA C 3 99 ? -57.151 -36.510 12.174 1.00 26.71 ? 98 ALA C C 1 ATOM 3668 O O . ALA C 3 99 ? -56.783 -37.679 12.265 1.00 27.98 ? 98 ALA C O 1 ATOM 3669 C CB . ALA C 3 99 ? -58.432 -36.587 9.997 1.00 28.61 ? 98 ALA C CB 1 ATOM 3670 N N . LEU C 3 100 ? -56.411 -35.512 12.621 1.00 26.15 ? 99 LEU C N 1 ATOM 3671 C CA . LEU C 3 100 ? -55.196 -35.737 13.412 1.00 26.67 ? 99 LEU C CA 1 ATOM 3672 C C . LEU C 3 100 ? -55.575 -36.230 14.832 1.00 25.23 ? 99 LEU C C 1 ATOM 3673 O O . LEU C 3 100 ? -54.700 -36.640 15.620 1.00 24.81 ? 99 LEU C O 1 ATOM 3674 C CB . LEU C 3 100 ? -54.364 -34.442 13.508 1.00 25.35 ? 99 LEU C CB 1 ATOM 3675 C CG . LEU C 3 100 ? -53.712 -33.983 12.189 1.00 28.46 ? 99 LEU C CG 1 ATOM 3676 C CD1 . LEU C 3 100 ? -52.804 -32.765 12.380 1.00 25.28 ? 99 LEU C CD1 1 ATOM 3677 C CD2 . LEU C 3 100 ? -52.927 -35.094 11.465 1.00 29.37 ? 99 LEU C CD2 1 ATOM 3678 N N . GLY C 3 101 ? -56.869 -36.185 15.130 1.00 23.63 ? 100 GLY C N 1 ATOM 3679 C CA . GLY C 3 101 ? -57.366 -36.479 16.480 1.00 23.89 ? 100 GLY C CA 1 ATOM 3680 C C . GLY C 3 101 ? -57.516 -37.954 16.743 1.00 24.00 ? 100 GLY C C 1 ATOM 3681 O O . GLY C 3 101 ? -57.518 -38.764 15.822 1.00 26.10 ? 100 GLY C O 1 ATOM 3682 N N . ARG C 3 102 ? -57.578 -38.303 18.012 1.00 23.60 ? 103 ARG C N 1 ATOM 3683 C CA . ARG C 3 102 ? -57.920 -39.647 18.431 1.00 23.61 ? 103 ARG C CA 1 ATOM 3684 C C . ARG C 3 102 ? -59.224 -39.530 19.223 1.00 22.11 ? 103 ARG C C 1 ATOM 3685 O O . ARG C 3 102 ? -59.531 -38.451 19.805 1.00 20.25 ? 103 ARG C O 1 ATOM 3686 C CB . ARG C 3 102 ? -56.793 -40.291 19.262 1.00 24.38 ? 103 ARG C CB 1 ATOM 3687 C CG . ARG C 3 102 ? -55.444 -40.395 18.586 1.00 29.31 ? 103 ARG C CG 1 ATOM 3688 C CD . ARG C 3 102 ? -55.363 -41.435 17.416 1.00 36.10 ? 103 ARG C CD 1 ATOM 3689 N NE . ARG C 3 102 ? -54.659 -42.611 17.905 1.00 42.39 ? 103 ARG C NE 1 ATOM 3690 C CZ . ARG C 3 102 ? -53.388 -42.924 17.667 1.00 46.40 ? 103 ARG C CZ 1 ATOM 3691 N NH1 . ARG C 3 102 ? -52.622 -42.217 16.838 1.00 46.21 ? 103 ARG C NH1 1 ATOM 3692 N NH2 . ARG C 3 102 ? -52.898 -44.010 18.245 1.00 50.47 ? 103 ARG C NH2 1 ATOM 3693 N N . LEU C 3 103 ? -59.994 -40.623 19.215 1.00 22.19 ? 104 LEU C N 1 ATOM 3694 C CA . LEU C 3 103 ? -61.279 -40.690 19.910 1.00 21.89 ? 104 LEU C CA 1 ATOM 3695 C C . LEU C 3 103 ? -61.034 -41.457 21.193 1.00 22.54 ? 104 LEU C C 1 ATOM 3696 O O . LEU C 3 103 ? -60.296 -42.440 21.191 1.00 23.98 ? 104 LEU C O 1 ATOM 3697 C CB . LEU C 3 103 ? -62.352 -41.391 19.049 1.00 22.50 ? 104 LEU C CB 1 ATOM 3698 C CG . LEU C 3 103 ? -62.838 -40.692 17.761 1.00 24.90 ? 104 LEU C CG 1 ATOM 3699 C CD1 . LEU C 3 103 ? -63.942 -41.536 17.079 1.00 24.55 ? 104 LEU C CD1 1 ATOM 3700 C CD2 . LEU C 3 103 ? -63.335 -39.272 18.091 1.00 23.48 ? 104 LEU C CD2 1 ATOM 3701 N N . HIS C 3 104 ? -61.617 -40.983 22.287 1.00 21.59 ? 105 HIS C N 1 ATOM 3702 C CA . HIS C 3 104 ? -61.435 -41.623 23.591 1.00 22.57 ? 105 HIS C CA 1 ATOM 3703 C C . HIS C 3 104 ? -62.798 -42.064 24.073 1.00 21.51 ? 105 HIS C C 1 ATOM 3704 O O . HIS C 3 104 ? -63.664 -41.227 24.330 1.00 20.93 ? 105 HIS C O 1 ATOM 3705 C CB . HIS C 3 104 ? -60.818 -40.641 24.577 1.00 21.83 ? 105 HIS C CB 1 ATOM 3706 C CG . HIS C 3 104 ? -59.478 -40.132 24.141 1.00 23.62 ? 105 HIS C CG 1 ATOM 3707 N ND1 . HIS C 3 104 ? -58.295 -40.677 24.596 1.00 28.93 ? 105 HIS C ND1 1 ATOM 3708 C CD2 . HIS C 3 104 ? -59.131 -39.164 23.249 1.00 23.57 ? 105 HIS C CD2 1 ATOM 3709 C CE1 . HIS C 3 104 ? -57.277 -40.046 24.035 1.00 27.21 ? 105 HIS C CE1 1 ATOM 3710 N NE2 . HIS C 3 104 ? -57.757 -39.135 23.203 1.00 25.28 ? 105 HIS C NE2 1 ATOM 3711 N N . PHE C 3 105 ? -62.986 -43.369 24.183 1.00 21.74 ? 106 PHE C N 1 ATOM 3712 C CA . PHE C 3 105 ? -64.318 -43.917 24.392 1.00 21.82 ? 106 PHE C CA 1 ATOM 3713 C C . PHE C 3 105 ? -64.547 -44.217 25.849 1.00 22.43 ? 106 PHE C C 1 ATOM 3714 O O . PHE C 3 105 ? -63.728 -44.879 26.441 1.00 22.24 ? 106 PHE C O 1 ATOM 3715 C CB . PHE C 3 105 ? -64.500 -45.213 23.586 1.00 22.32 ? 106 PHE C CB 1 ATOM 3716 C CG . PHE C 3 105 ? -64.658 -44.995 22.088 1.00 22.40 ? 106 PHE C CG 1 ATOM 3717 C CD1 . PHE C 3 105 ? -63.548 -44.837 21.273 1.00 23.16 ? 106 PHE C CD1 1 ATOM 3718 C CD2 . PHE C 3 105 ? -65.922 -44.989 21.499 1.00 21.22 ? 106 PHE C CD2 1 ATOM 3719 C CE1 . PHE C 3 105 ? -63.702 -44.653 19.877 1.00 24.26 ? 106 PHE C CE1 1 ATOM 3720 C CE2 . PHE C 3 105 ? -66.074 -44.800 20.120 1.00 22.38 ? 106 PHE C CE2 1 ATOM 3721 C CZ . PHE C 3 105 ? -64.972 -44.626 19.310 1.00 19.44 ? 106 PHE C CZ 1 ATOM 3722 N N . GLY C 3 106 ? -65.665 -43.745 26.408 1.00 21.34 ? 107 GLY C N 1 ATOM 3723 C CA . GLY C 3 106 ? -66.137 -44.250 27.711 1.00 22.10 ? 107 GLY C CA 1 ATOM 3724 C C . GLY C 3 106 ? -66.535 -45.728 27.591 1.00 23.43 ? 107 GLY C C 1 ATOM 3725 O O . GLY C 3 106 ? -66.692 -46.241 26.491 1.00 23.69 ? 107 GLY C O 1 ATOM 3726 N N . ALA C 3 107 ? -66.680 -46.422 28.710 1.00 23.06 ? 108 ALA C N 1 ATOM 3727 C CA . ALA C 3 107 ? -67.091 -47.820 28.681 1.00 24.41 ? 108 ALA C CA 1 ATOM 3728 C C . ALA C 3 107 ? -68.613 -47.964 28.666 1.00 24.15 ? 108 ALA C C 1 ATOM 3729 O O . ALA C 3 107 ? -69.120 -49.042 28.701 1.00 25.93 ? 108 ALA C O 1 ATOM 3730 C CB . ALA C 3 107 ? -66.518 -48.560 29.856 1.00 24.76 ? 108 ALA C CB 1 ATOM 3731 N N . GLY C 3 108 ? -69.359 -46.882 28.638 1.00 23.27 ? 109 GLY C N 1 ATOM 3732 C CA . GLY C 3 108 ? -70.787 -47.037 28.528 1.00 22.86 ? 109 GLY C CA 1 ATOM 3733 C C . GLY C 3 108 ? -71.606 -47.006 29.807 1.00 24.19 ? 109 GLY C C 1 ATOM 3734 O O . GLY C 3 108 ? -71.119 -47.284 30.932 1.00 25.32 ? 109 GLY C O 1 ATOM 3735 N N . THR C 3 109 ? -72.873 -46.677 29.643 1.00 23.19 ? 110 THR C N 1 ATOM 3736 C CA . THR C 3 109 ? -73.800 -46.803 30.744 1.00 24.17 ? 110 THR C CA 1 ATOM 3737 C C . THR C 3 109 ? -74.927 -47.641 30.209 1.00 25.03 ? 110 THR C C 1 ATOM 3738 O O . THR C 3 109 ? -75.523 -47.306 29.159 1.00 25.38 ? 110 THR C O 1 ATOM 3739 C CB . THR C 3 109 ? -74.427 -45.461 31.132 1.00 22.93 ? 110 THR C CB 1 ATOM 3740 O OG1 . THR C 3 109 ? -73.484 -44.683 31.874 1.00 23.86 ? 110 THR C OG1 1 ATOM 3741 C CG2 . THR C 3 109 ? -75.685 -45.713 31.988 1.00 23.32 ? 110 THR C CG2 1 ATOM 3742 N N . GLN C 3 110 ? -75.286 -48.675 30.936 1.00 25.68 ? 111 GLN C N 1 ATOM 3743 C CA . GLN C 3 110 ? -76.402 -49.472 30.503 1.00 27.71 ? 111 GLN C CA 1 ATOM 3744 C C . GLN C 3 110 ? -77.797 -49.040 31.045 1.00 27.07 ? 111 GLN C C 1 ATOM 3745 O O . GLN C 3 110 ? -78.041 -49.069 32.241 1.00 27.52 ? 111 GLN C O 1 ATOM 3746 C CB . GLN C 3 110 ? -76.079 -50.867 30.926 1.00 29.83 ? 111 GLN C CB 1 ATOM 3747 C CG . GLN C 3 110 ? -76.901 -51.905 30.324 1.00 37.54 ? 111 GLN C CG 1 ATOM 3748 C CD . GLN C 3 110 ? -76.449 -53.233 30.852 1.00 46.95 ? 111 GLN C CD 1 ATOM 3749 O OE1 . GLN C 3 110 ? -77.219 -53.924 31.561 1.00 48.78 ? 111 GLN C OE1 1 ATOM 3750 N NE2 . GLN C 3 110 ? -75.149 -53.569 30.594 1.00 44.63 ? 111 GLN C NE2 1 ATOM 3751 N N . LEU C 3 111 ? -78.706 -48.654 30.165 1.00 26.11 ? 112 LEU C N 1 ATOM 3752 C CA . LEU C 3 111 ? -80.060 -48.300 30.576 1.00 25.85 ? 112 LEU C CA 1 ATOM 3753 C C . LEU C 3 111 ? -81.057 -49.422 30.287 1.00 27.45 ? 112 LEU C C 1 ATOM 3754 O O . LEU C 3 111 ? -81.079 -49.952 29.170 1.00 27.22 ? 112 LEU C O 1 ATOM 3755 C CB . LEU C 3 111 ? -80.525 -47.032 29.855 1.00 24.27 ? 112 LEU C CB 1 ATOM 3756 C CG . LEU C 3 111 ? -81.976 -46.587 30.083 1.00 26.06 ? 112 LEU C CG 1 ATOM 3757 C CD1 . LEU C 3 111 ? -82.181 -46.115 31.542 1.00 23.83 ? 112 LEU C CD1 1 ATOM 3758 C CD2 . LEU C 3 111 ? -82.376 -45.463 29.136 1.00 23.93 ? 112 LEU C CD2 1 ATOM 3759 N N . ILE C 3 112 ? -81.867 -49.784 31.296 1.00 27.86 ? 113 ILE C N 1 ATOM 3760 C CA . ILE C 3 112 ? -83.010 -50.644 31.073 1.00 28.10 ? 113 ILE C CA 1 ATOM 3761 C C . ILE C 3 112 ? -84.346 -49.927 31.398 1.00 28.01 ? 113 ILE C C 1 ATOM 3762 O O . ILE C 3 112 ? -84.508 -49.341 32.468 1.00 26.29 ? 113 ILE C O 1 ATOM 3763 C CB . ILE C 3 112 ? -82.907 -51.949 31.845 1.00 30.70 ? 113 ILE C CB 1 ATOM 3764 C CG1 . ILE C 3 112 ? -81.740 -52.796 31.323 1.00 30.69 ? 113 ILE C CG1 1 ATOM 3765 C CG2 . ILE C 3 112 ? -84.245 -52.771 31.745 1.00 30.54 ? 113 ILE C CG2 1 ATOM 3766 C CD1 . ILE C 3 112 ? -81.485 -54.035 32.212 1.00 35.46 ? 113 ILE C CD1 1 ATOM 3767 N N . VAL C 3 113 ? -85.302 -49.995 30.462 1.00 27.86 ? 114 VAL C N 1 ATOM 3768 C CA . VAL C 3 113 ? -86.602 -49.356 30.646 1.00 27.08 ? 114 VAL C CA 1 ATOM 3769 C C . VAL C 3 113 ? -87.679 -50.403 30.822 1.00 28.67 ? 114 VAL C C 1 ATOM 3770 O O . VAL C 3 113 ? -87.838 -51.264 29.970 1.00 29.75 ? 114 VAL C O 1 ATOM 3771 C CB . VAL C 3 113 ? -86.936 -48.412 29.465 1.00 26.83 ? 114 VAL C CB 1 ATOM 3772 C CG1 . VAL C 3 113 ? -88.269 -47.713 29.670 1.00 26.30 ? 114 VAL C CG1 1 ATOM 3773 C CG2 . VAL C 3 113 ? -85.821 -47.369 29.274 1.00 23.33 ? 114 VAL C CG2 1 ATOM 3774 N N . ILE C 3 114 ? -88.427 -50.325 31.929 1.00 29.12 ? 115 ILE C N 1 ATOM 3775 C CA . ILE C 3 114 ? -89.510 -51.263 32.215 1.00 29.97 ? 115 ILE C CA 1 ATOM 3776 C C . ILE C 3 114 ? -90.781 -50.811 31.537 1.00 29.81 ? 115 ILE C C 1 ATOM 3777 O O . ILE C 3 114 ? -91.203 -49.688 31.745 1.00 30.54 ? 115 ILE C O 1 ATOM 3778 C CB . ILE C 3 114 ? -89.791 -51.384 33.718 1.00 31.47 ? 115 ILE C CB 1 ATOM 3779 C CG1 . ILE C 3 114 ? -88.512 -51.752 34.500 1.00 31.70 ? 115 ILE C CG1 1 ATOM 3780 C CG2 . ILE C 3 114 ? -90.989 -52.360 34.001 1.00 31.58 ? 115 ILE C CG2 1 ATOM 3781 C CD1 . ILE C 3 114 ? -87.774 -53.005 33.979 1.00 31.44 ? 115 ILE C CD1 1 ATOM 3782 N N . PRO C 3 115 ? -91.388 -51.671 30.707 1.00 55.71 ? 116 PRO C N 1 ATOM 3783 C CA . PRO C 3 115 ? -92.597 -51.275 29.987 1.00 53.75 ? 116 PRO C CA 1 ATOM 3784 C C . PRO C 3 115 ? -93.797 -51.059 30.909 1.00 55.36 ? 116 PRO C C 1 ATOM 3785 O O . PRO C 3 115 ? -93.985 -51.811 31.864 1.00 54.40 ? 116 PRO C O 1 ATOM 3786 C CB . PRO C 3 115 ? -92.849 -52.461 29.068 1.00 48.91 ? 116 PRO C CB 1 ATOM 3787 C CG . PRO C 3 115 ? -92.197 -53.618 29.759 1.00 48.75 ? 116 PRO C CG 1 ATOM 3788 C CD . PRO C 3 115 ? -90.999 -53.063 30.447 1.00 51.13 ? 116 PRO C CD 1 ATOM 3789 N N . ASP C 3 116 ? -94.576 -50.019 30.637 1.00 57.97 ? 117 ASP C N 1 ATOM 3790 C CA . ASP C 3 116 ? -95.864 -49.808 31.328 1.00 61.70 ? 117 ASP C CA 1 ATOM 3791 C C . ASP C 3 116 ? -96.947 -50.733 30.708 1.00 58.47 ? 117 ASP C C 1 ATOM 3792 O O . ASP C 3 116 ? -97.276 -50.598 29.529 1.00 56.92 ? 117 ASP C O 1 ATOM 3793 C CB . ASP C 3 116 ? -96.285 -48.330 31.256 1.00 65.57 ? 117 ASP C CB 1 ATOM 3794 C CG . ASP C 3 116 ? -97.210 -47.923 32.394 1.00 72.08 ? 117 ASP C CG 1 ATOM 3795 O OD1 . ASP C 3 116 ? -97.763 -48.822 33.068 1.00 73.51 ? 117 ASP C OD1 1 ATOM 3796 O OD2 . ASP C 3 116 ? -97.384 -46.696 32.629 1.00 79.01 ? 117 ASP C OD2 1 ATOM 3797 N N . ILE C 3 117 ? -97.430 -51.717 31.463 1.00 58.74 ? 118 ILE C N 1 ATOM 3798 C CA . ILE C 3 117 ? -98.481 -52.624 30.952 1.00 57.61 ? 118 ILE C CA 1 ATOM 3799 C C . ILE C 3 117 ? -99.781 -52.212 31.636 1.00 62.08 ? 118 ILE C C 1 ATOM 3800 O O . ILE C 3 117 ? -99.938 -52.402 32.845 1.00 64.82 ? 118 ILE C O 1 ATOM 3801 C CB . ILE C 3 117 ? -98.176 -54.134 31.217 1.00 54.71 ? 118 ILE C CB 1 ATOM 3802 C CG1 . ILE C 3 117 ? -96.837 -54.561 30.606 1.00 51.23 ? 118 ILE C CG1 1 ATOM 3803 C CG2 . ILE C 3 117 ? -99.313 -55.025 30.708 1.00 53.58 ? 118 ILE C CG2 1 ATOM 3804 C CD1 . ILE C 3 117 ? -96.791 -54.515 29.096 1.00 45.60 ? 118 ILE C CD1 1 ATOM 3805 N N . GLN C 3 118 ? -100.687 -51.610 30.873 1.00 64.09 ? 119 GLN C N 1 ATOM 3806 C CA . GLN C 3 118 ? -101.821 -50.894 31.478 1.00 70.23 ? 119 GLN C CA 1 ATOM 3807 C C . GLN C 3 118 ? -103.043 -51.772 31.696 1.00 71.12 ? 119 GLN C C 1 ATOM 3808 O O . GLN C 3 118 ? -103.800 -51.568 32.654 1.00 75.44 ? 119 GLN C O 1 ATOM 3809 C CB . GLN C 3 118 ? -102.202 -49.637 30.670 1.00 72.52 ? 119 GLN C CB 1 ATOM 3810 C CG . GLN C 3 118 ? -101.501 -48.340 31.127 1.00 77.25 ? 119 GLN C CG 1 ATOM 3811 C CD . GLN C 3 118 ? -101.698 -47.173 30.153 1.00 80.41 ? 119 GLN C CD 1 ATOM 3812 O OE1 . GLN C 3 118 ? -101.782 -47.367 28.929 1.00 78.36 ? 119 GLN C OE1 1 ATOM 3813 N NE2 . GLN C 3 118 ? -101.771 -45.957 30.694 1.00 84.05 ? 119 GLN C NE2 1 ATOM 3814 N N . ASN C 3 119 ? -103.230 -52.742 30.807 1.00 68.07 ? 120 ASN C N 1 ATOM 3815 C CA . ASN C 3 119 ? -104.356 -53.658 30.905 1.00 69.54 ? 120 ASN C CA 1 ATOM 3816 C C . ASN C 3 119 ? -103.896 -55.111 30.858 1.00 66.26 ? 120 ASN C C 1 ATOM 3817 O O . ASN C 3 119 ? -103.990 -55.757 29.810 1.00 63.78 ? 120 ASN C O 1 ATOM 3818 C CB . ASN C 3 119 ? -105.369 -53.351 29.797 1.00 70.30 ? 120 ASN C CB 1 ATOM 3819 C CG . ASN C 3 119 ? -105.704 -51.875 29.724 1.00 74.43 ? 120 ASN C CG 1 ATOM 3820 O OD1 . ASN C 3 119 ? -106.356 -51.327 30.622 1.00 77.31 ? 120 ASN C OD1 1 ATOM 3821 N ND2 . ASN C 3 119 ? -105.226 -51.211 28.671 1.00 73.29 ? 120 ASN C ND2 1 ATOM 3822 N N . PRO C 3 120 ? -103.401 -55.637 31.998 1.00 67.00 ? 121 PRO C N 1 ATOM 3823 C CA . PRO C 3 120 ? -102.911 -57.020 32.004 1.00 64.54 ? 121 PRO C CA 1 ATOM 3824 C C . PRO C 3 120 ? -104.057 -58.047 31.924 1.00 66.03 ? 121 PRO C C 1 ATOM 3825 O O . PRO C 3 120 ? -105.151 -57.808 32.448 1.00 69.43 ? 121 PRO C O 1 ATOM 3826 C CB . PRO C 3 120 ? -102.148 -57.134 33.336 1.00 66.32 ? 121 PRO C CB 1 ATOM 3827 C CG . PRO C 3 120 ? -102.291 -55.783 34.028 1.00 70.26 ? 121 PRO C CG 1 ATOM 3828 C CD . PRO C 3 120 ? -103.402 -55.050 33.348 1.00 71.08 ? 121 PRO C CD 1 ATOM 3829 N N . ASP C 3 121 ? -103.792 -59.164 31.244 1.00 63.32 ? 122 ASP C N 1 ATOM 3830 C CA . ASP C 3 121 ? -104.770 -60.234 31.027 1.00 64.70 ? 122 ASP C CA 1 ATOM 3831 C C . ASP C 3 121 ? -104.042 -61.595 31.074 1.00 62.46 ? 122 ASP C C 1 ATOM 3832 O O . ASP C 3 121 ? -104.061 -62.336 30.089 1.00 60.63 ? 122 ASP C O 1 ATOM 3833 C CB . ASP C 3 121 ? -105.444 -60.029 29.660 1.00 63.85 ? 122 ASP C CB 1 ATOM 3834 C CG . ASP C 3 121 ? -106.717 -60.837 29.491 1.00 68.24 ? 122 ASP C CG 1 ATOM 3835 O OD1 . ASP C 3 121 ? -107.133 -61.553 30.434 1.00 73.27 ? 122 ASP C OD1 1 ATOM 3836 O OD2 . ASP C 3 121 ? -107.314 -60.750 28.399 1.00 69.65 ? 122 ASP C OD2 1 ATOM 3837 N N . PRO C 3 122 ? -103.421 -61.938 32.229 1.00 63.33 ? 123 PRO C N 1 ATOM 3838 C CA . PRO C 3 122 ? -102.487 -63.075 32.302 1.00 61.29 ? 123 PRO C CA 1 ATOM 3839 C C . PRO C 3 122 ? -103.098 -64.454 31.980 1.00 61.67 ? 123 PRO C C 1 ATOM 3840 O O . PRO C 3 122 ? -104.129 -64.840 32.550 1.00 65.70 ? 123 PRO C O 1 ATOM 3841 C CB . PRO C 3 122 ? -101.969 -63.019 33.749 1.00 64.17 ? 123 PRO C CB 1 ATOM 3842 C CG . PRO C 3 122 ? -103.027 -62.313 34.509 1.00 68.65 ? 123 PRO C CG 1 ATOM 3843 C CD . PRO C 3 122 ? -103.661 -61.339 33.559 1.00 67.27 ? 123 PRO C CD 1 ATOM 3844 N N . ALA C 3 123 ? -102.443 -65.177 31.070 1.00 58.04 ? 124 ALA C N 1 ATOM 3845 C CA . ALA C 3 123 ? -102.915 -66.482 30.608 1.00 58.36 ? 124 ALA C CA 1 ATOM 3846 C C . ALA C 3 123 ? -101.772 -67.412 30.250 1.00 55.95 ? 124 ALA C C 1 ATOM 3847 O O . ALA C 3 123 ? -100.655 -66.966 29.987 1.00 53.32 ? 124 ALA C O 1 ATOM 3848 C CB . ALA C 3 123 ? -103.826 -66.319 29.430 1.00 57.68 ? 124 ALA C CB 1 ATOM 3849 N N . VAL C 3 124 ? -102.063 -68.710 30.252 1.00 57.76 ? 125 VAL C N 1 ATOM 3850 C CA . VAL C 3 124 ? -101.120 -69.734 29.819 1.00 55.79 ? 125 VAL C CA 1 ATOM 3851 C C . VAL C 3 124 ? -101.772 -70.600 28.740 1.00 56.07 ? 125 VAL C C 1 ATOM 3852 O O . VAL C 3 124 ? -102.736 -71.341 28.999 1.00 59.58 ? 125 VAL C O 1 ATOM 3853 C CB . VAL C 3 124 ? -100.637 -70.621 30.987 1.00 59.58 ? 125 VAL C CB 1 ATOM 3854 C CG1 . VAL C 3 124 ? -99.681 -71.700 30.464 1.00 58.58 ? 125 VAL C CG1 1 ATOM 3855 C CG2 . VAL C 3 124 ? -99.975 -69.769 32.086 1.00 58.58 ? 125 VAL C CG2 1 ATOM 3856 N N . TYR C 3 125 ? -101.227 -70.492 27.530 1.00 52.44 ? 126 TYR C N 1 ATOM 3857 C CA . TYR C 3 125 ? -101.802 -71.116 26.331 1.00 52.56 ? 126 TYR C CA 1 ATOM 3858 C C . TYR C 3 125 ? -100.935 -72.248 25.817 1.00 52.15 ? 126 TYR C C 1 ATOM 3859 O O . TYR C 3 125 ? -99.704 -72.232 25.997 1.00 50.55 ? 126 TYR C O 1 ATOM 3860 C CB . TYR C 3 125 ? -101.939 -70.068 25.215 1.00 49.62 ? 126 TYR C CB 1 ATOM 3861 C CG . TYR C 3 125 ? -102.802 -68.877 25.561 1.00 48.84 ? 126 TYR C CG 1 ATOM 3862 C CD1 . TYR C 3 125 ? -104.163 -69.024 25.801 1.00 52.28 ? 126 TYR C CD1 1 ATOM 3863 C CD2 . TYR C 3 125 ? -102.258 -67.595 25.614 1.00 47.78 ? 126 TYR C CD2 1 ATOM 3864 C CE1 . TYR C 3 125 ? -104.973 -67.927 26.110 1.00 54.21 ? 126 TYR C CE1 1 ATOM 3865 C CE2 . TYR C 3 125 ? -103.055 -66.481 25.928 1.00 47.73 ? 126 TYR C CE2 1 ATOM 3866 C CZ . TYR C 3 125 ? -104.414 -66.660 26.178 1.00 51.15 ? 126 TYR C CZ 1 ATOM 3867 O OH . TYR C 3 125 ? -105.210 -65.580 26.467 1.00 49.45 ? 126 TYR C OH 1 ATOM 3868 N N . GLN C 3 126 ? -101.562 -73.209 25.152 1.00 54.38 ? 127 GLN C N 1 ATOM 3869 C CA . GLN C 3 126 ? -100.823 -74.295 24.526 1.00 54.82 ? 127 GLN C CA 1 ATOM 3870 C C . GLN C 3 126 ? -100.775 -74.128 23.008 1.00 53.02 ? 127 GLN C C 1 ATOM 3871 O O . GLN C 3 126 ? -101.814 -74.018 22.352 1.00 55.26 ? 127 GLN C O 1 ATOM 3872 C CB . GLN C 3 126 ? -101.430 -75.647 24.883 1.00 60.09 ? 127 GLN C CB 1 ATOM 3873 C CG . GLN C 3 126 ? -100.485 -76.812 24.607 1.00 62.75 ? 127 GLN C CG 1 ATOM 3874 C CD . GLN C 3 126 ? -100.958 -78.129 25.209 1.00 71.53 ? 127 GLN C CD 1 ATOM 3875 O OE1 . GLN C 3 126 ? -101.000 -79.158 24.523 1.00 74.13 ? 127 GLN C OE1 1 ATOM 3876 N NE2 . GLN C 3 126 ? -101.325 -78.103 26.497 1.00 75.33 ? 127 GLN C NE2 1 ATOM 3877 N N . LEU C 3 127 ? -99.568 -74.133 22.456 1.00 49.80 ? 128 LEU C N 1 ATOM 3878 C CA . LEU C 3 127 ? -99.367 -73.973 21.011 1.00 48.53 ? 128 LEU C CA 1 ATOM 3879 C C . LEU C 3 127 ? -98.890 -75.269 20.386 1.00 50.57 ? 128 LEU C C 1 ATOM 3880 O O . LEU C 3 127 ? -98.010 -75.924 20.928 1.00 51.03 ? 128 LEU C O 1 ATOM 3881 C CB . LEU C 3 127 ? -98.359 -72.834 20.745 1.00 44.06 ? 128 LEU C CB 1 ATOM 3882 C CG . LEU C 3 127 ? -98.900 -71.410 20.945 1.00 41.35 ? 128 LEU C CG 1 ATOM 3883 C CD1 . LEU C 3 127 ? -99.397 -71.117 22.366 1.00 40.98 ? 128 LEU C CD1 1 ATOM 3884 C CD2 . LEU C 3 127 ? -97.847 -70.398 20.553 1.00 38.79 ? 128 LEU C CD2 1 ATOM 3885 N N . ARG C 3 128 ? -99.457 -75.660 19.255 1.00 53.00 ? 129 ARG C N 1 ATOM 3886 C CA . ARG C 3 128 ? -98.986 -76.898 18.643 1.00 56.46 ? 129 ARG C CA 1 ATOM 3887 C C . ARG C 3 128 ? -98.077 -76.671 17.434 1.00 55.10 ? 129 ARG C C 1 ATOM 3888 O O . ARG C 3 128 ? -98.169 -75.658 16.748 1.00 52.31 ? 129 ARG C O 1 ATOM 3889 C CB . ARG C 3 128 ? -100.131 -77.907 18.388 1.00 62.24 ? 129 ARG C CB 1 ATOM 3890 C CG . ARG C 3 128 ? -100.626 -78.619 19.687 1.00 66.92 ? 129 ARG C CG 1 ATOM 3891 C CD . ARG C 3 128 ? -101.607 -79.788 19.406 1.00 79.05 ? 129 ARG C CD 1 ATOM 3892 N NE . ARG C 3 128 ? -101.852 -80.659 20.572 1.00 84.78 ? 129 ARG C NE 1 ATOM 3893 C CZ . ARG C 3 128 ? -101.824 -81.999 20.555 1.00 92.51 ? 129 ARG C CZ 1 ATOM 3894 N NH1 . ARG C 3 128 ? -101.572 -82.666 19.425 1.00 95.42 ? 129 ARG C NH1 1 ATOM 3895 N NH2 . ARG C 3 128 ? -102.066 -82.689 21.674 1.00 95.96 ? 129 ARG C NH2 1 ATOM 3896 N N . ASP C 3 129 ? -97.173 -77.619 17.222 1.00 57.38 ? 130 ASP C N 1 ATOM 3897 C CA . ASP C 3 129 ? -96.172 -77.554 16.175 1.00 57.63 ? 130 ASP C CA 1 ATOM 3898 C C . ASP C 3 129 ? -96.812 -77.621 14.797 1.00 60.65 ? 130 ASP C C 1 ATOM 3899 O O . ASP C 3 129 ? -97.665 -78.473 14.539 1.00 64.66 ? 130 ASP C O 1 ATOM 3900 C CB . ASP C 3 129 ? -95.182 -78.708 16.351 1.00 59.99 ? 130 ASP C CB 1 ATOM 3901 C CG . ASP C 3 129 ? -94.015 -78.666 15.361 1.00 60.99 ? 130 ASP C CG 1 ATOM 3902 O OD1 . ASP C 3 129 ? -94.208 -78.424 14.151 1.00 62.60 ? 130 ASP C OD1 1 ATOM 3903 O OD2 . ASP C 3 129 ? -92.884 -78.930 15.806 1.00 64.42 ? 130 ASP C OD2 1 ATOM 3904 N N . SER C 3 130 ? -96.347 -76.739 13.909 1.00 59.52 ? 131 SER C N 1 ATOM 3905 C CA . SER C 3 130 ? -96.867 -76.656 12.538 1.00 63.03 ? 131 SER C CA 1 ATOM 3906 C C . SER C 3 130 ? -96.749 -77.958 11.734 1.00 68.24 ? 131 SER C C 1 ATOM 3907 O O . SER C 3 130 ? -97.484 -78.141 10.775 1.00 72.24 ? 131 SER C O 1 ATOM 3908 C CB . SER C 3 130 ? -96.271 -75.454 11.772 1.00 60.43 ? 131 SER C CB 1 ATOM 3909 O OG . SER C 3 130 ? -94.975 -75.719 11.265 1.00 59.95 ? 131 SER C OG 1 ATOM 3910 N N . LYS C 3 131 ? -95.850 -78.858 12.132 1.00 69.41 ? 132 LYS C N 1 ATOM 3911 C CA . LYS C 3 131 ? -95.593 -80.070 11.342 1.00 75.02 ? 132 LYS C CA 1 ATOM 3912 C C . LYS C 3 131 ? -95.774 -81.384 12.116 1.00 78.67 ? 132 LYS C C 1 ATOM 3913 O O . LYS C 3 131 ? -95.922 -82.445 11.503 1.00 84.14 ? 132 LYS C O 1 ATOM 3914 C CB . LYS C 3 131 ? -94.214 -80.001 10.661 1.00 74.56 ? 132 LYS C CB 1 ATOM 3915 N N . SER C 3 132 ? -95.771 -81.320 13.448 1.00 76.67 ? 133 SER C N 1 ATOM 3916 C CA . SER C 3 132 ? -96.019 -82.516 14.276 1.00 80.92 ? 133 SER C CA 1 ATOM 3917 C C . SER C 3 132 ? -97.194 -82.286 15.216 1.00 81.10 ? 133 SER C C 1 ATOM 3918 O O . SER C 3 132 ? -97.192 -81.351 16.032 1.00 76.63 ? 133 SER C O 1 ATOM 3919 C CB . SER C 3 132 ? -94.792 -82.915 15.108 1.00 79.86 ? 133 SER C CB 1 ATOM 3920 O OG . SER C 3 132 ? -93.579 -82.760 14.393 1.00 79.26 ? 133 SER C OG 1 ATOM 3921 N N . SER C 3 133 ? -98.196 -83.148 15.108 1.00 86.89 ? 134 SER C N 1 ATOM 3922 C CA . SER C 3 133 ? -99.343 -83.069 16.002 1.00 88.36 ? 134 SER C CA 1 ATOM 3923 C C . SER C 3 133 ? -98.862 -83.073 17.464 1.00 85.86 ? 134 SER C C 1 ATOM 3924 O O . SER C 3 133 ? -99.205 -82.168 18.236 1.00 82.71 ? 134 SER C O 1 ATOM 3925 C CB . SER C 3 133 ? -100.319 -84.227 15.724 1.00 96.15 ? 134 SER C CB 1 ATOM 3926 O OG . SER C 3 133 ? -101.604 -83.971 16.279 1.00 99.04 ? 134 SER C OG 1 ATOM 3927 N N . ASP C 3 134 ? -98.010 -84.053 17.793 1.00 87.43 ? 135 ASP C N 1 ATOM 3928 C CA . ASP C 3 134 ? -97.612 -84.380 19.177 1.00 86.69 ? 135 ASP C CA 1 ATOM 3929 C C . ASP C 3 134 ? -96.740 -83.363 19.953 1.00 80.01 ? 135 ASP C C 1 ATOM 3930 O O . ASP C 3 134 ? -96.661 -83.439 21.185 1.00 80.30 ? 135 ASP C O 1 ATOM 3931 C CB . ASP C 3 134 ? -96.942 -85.764 19.208 1.00 92.05 ? 135 ASP C CB 1 ATOM 3932 N N . LYS C 3 135 ? -96.106 -82.420 19.255 1.00 73.75 ? 136 LYS C N 1 ATOM 3933 C CA . LYS C 3 135 ? -95.184 -81.480 19.900 1.00 67.81 ? 136 LYS C CA 1 ATOM 3934 C C . LYS C 3 135 ? -95.878 -80.168 20.261 1.00 62.88 ? 136 LYS C C 1 ATOM 3935 O O . LYS C 3 135 ? -96.677 -79.652 19.481 1.00 62.19 ? 136 LYS C O 1 ATOM 3936 C CB . LYS C 3 135 ? -93.986 -81.184 18.993 1.00 65.80 ? 136 LYS C CB 1 ATOM 3937 C CG . LYS C 3 135 ? -93.298 -82.415 18.383 1.00 71.58 ? 136 LYS C CG 1 ATOM 3938 C CD . LYS C 3 135 ? -92.441 -83.171 19.394 1.00 75.50 ? 136 LYS C CD 1 ATOM 3939 C CE . LYS C 3 135 ? -91.436 -84.083 18.692 1.00 80.14 ? 136 LYS C CE 1 ATOM 3940 N NZ . LYS C 3 135 ? -90.757 -84.993 19.660 1.00 84.06 ? 136 LYS C NZ 1 ATOM 3941 N N . SER C 3 136 ? -95.559 -79.622 21.430 1.00 59.48 ? 137 SER C N 1 ATOM 3942 C CA . SER C 3 136 ? -96.177 -78.375 21.893 1.00 55.86 ? 137 SER C CA 1 ATOM 3943 C C . SER C 3 136 ? -95.235 -77.520 22.719 1.00 52.28 ? 137 SER C C 1 ATOM 3944 O O . SER C 3 136 ? -94.202 -78.001 23.180 1.00 53.15 ? 137 SER C O 1 ATOM 3945 C CB . SER C 3 136 ? -97.421 -78.669 22.738 1.00 58.85 ? 137 SER C CB 1 ATOM 3946 O OG . SER C 3 136 ? -97.136 -79.628 23.755 1.00 62.82 ? 137 SER C OG 1 ATOM 3947 N N . VAL C 3 137 ? -95.605 -76.250 22.889 1.00 48.77 ? 138 VAL C N 1 ATOM 3948 C CA . VAL C 3 137 ? -94.987 -75.359 23.872 1.00 46.31 ? 138 VAL C CA 1 ATOM 3949 C C . VAL C 3 137 ? -96.088 -74.733 24.705 1.00 46.89 ? 138 VAL C C 1 ATOM 3950 O O . VAL C 3 137 ? -97.251 -74.707 24.284 1.00 47.08 ? 138 VAL C O 1 ATOM 3951 C CB . VAL C 3 137 ? -94.144 -74.221 23.219 1.00 42.49 ? 138 VAL C CB 1 ATOM 3952 C CG1 . VAL C 3 137 ? -92.987 -74.788 22.445 1.00 43.47 ? 138 VAL C CG1 1 ATOM 3953 C CG2 . VAL C 3 137 ? -95.001 -73.302 22.335 1.00 38.79 ? 138 VAL C CG2 1 ATOM 3954 N N . CYS C 3 138 ? -95.725 -74.228 25.880 1.00 47.59 ? 139 CYS C N 1 ATOM 3955 C CA . CYS C 3 138 ? -96.653 -73.443 26.681 1.00 49.24 ? 139 CYS C CA 1 ATOM 3956 C C . CYS C 3 138 ? -96.226 -71.969 26.745 1.00 45.36 ? 139 CYS C C 1 ATOM 3957 O O . CYS C 3 138 ? -95.074 -71.640 27.045 1.00 43.63 ? 139 CYS C O 1 ATOM 3958 C CB . CYS C 3 138 ? -96.800 -74.030 28.079 1.00 53.60 ? 139 CYS C CB 1 ATOM 3959 S SG . CYS C 3 138 ? -97.410 -75.764 28.099 1.00 66.10 ? 139 CYS C SG 1 ATOM 3960 N N . LEU C 3 139 ? -97.173 -71.087 26.462 1.00 44.23 ? 140 LEU C N 1 ATOM 3961 C CA . LEU C 3 139 ? -96.898 -69.661 26.408 1.00 42.20 ? 140 LEU C CA 1 ATOM 3962 C C . LEU C 3 139 ? -97.601 -68.974 27.554 1.00 43.39 ? 140 LEU C C 1 ATOM 3963 O O . LEU C 3 139 ? -98.826 -68.991 27.609 1.00 45.29 ? 140 LEU C O 1 ATOM 3964 C CB . LEU C 3 139 ? -97.422 -69.097 25.090 1.00 39.87 ? 140 LEU C CB 1 ATOM 3965 C CG . LEU C 3 139 ? -97.395 -67.594 24.805 1.00 40.71 ? 140 LEU C CG 1 ATOM 3966 C CD1 . LEU C 3 139 ? -95.966 -67.129 24.483 1.00 40.40 ? 140 LEU C CD1 1 ATOM 3967 C CD2 . LEU C 3 139 ? -98.297 -67.268 23.636 1.00 39.61 ? 140 LEU C CD2 1 ATOM 3968 N N . PHE C 3 140 ? -96.836 -68.377 28.461 1.00 43.47 ? 141 PHE C N 1 ATOM 3969 C CA . PHE C 3 140 ? -97.406 -67.582 29.562 1.00 45.04 ? 141 PHE C CA 1 ATOM 3970 C C . PHE C 3 140 ? -97.346 -66.134 29.110 1.00 43.16 ? 141 PHE C C 1 ATOM 3971 O O . PHE C 3 140 ? -96.269 -65.629 28.789 1.00 41.49 ? 141 PHE C O 1 ATOM 3972 C CB . PHE C 3 140 ? -96.587 -67.809 30.826 1.00 47.01 ? 141 PHE C CB 1 ATOM 3973 C CG . PHE C 3 140 ? -96.953 -66.940 31.988 1.00 49.68 ? 141 PHE C CG 1 ATOM 3974 C CD1 . PHE C 3 140 ? -98.295 -66.679 32.321 1.00 53.39 ? 141 PHE C CD1 1 ATOM 3975 C CD2 . PHE C 3 140 ? -95.958 -66.444 32.817 1.00 50.73 ? 141 PHE C CD2 1 ATOM 3976 C CE1 . PHE C 3 140 ? -98.628 -65.902 33.445 1.00 55.36 ? 141 PHE C CE1 1 ATOM 3977 C CE2 . PHE C 3 140 ? -96.284 -65.662 33.947 1.00 54.86 ? 141 PHE C CE2 1 ATOM 3978 C CZ . PHE C 3 140 ? -97.622 -65.393 34.254 1.00 54.83 ? 141 PHE C CZ 1 ATOM 3979 N N . THR C 3 141 ? -98.490 -65.462 29.042 1.00 44.04 ? 142 THR C N 1 ATOM 3980 C CA . THR C 3 141 ? -98.493 -64.149 28.404 1.00 42.75 ? 142 THR C CA 1 ATOM 3981 C C . THR C 3 141 ? -99.410 -63.129 29.049 1.00 44.84 ? 142 THR C C 1 ATOM 3982 O O . THR C 3 141 ? -100.304 -63.491 29.818 1.00 48.45 ? 142 THR C O 1 ATOM 3983 C CB . THR C 3 141 ? -98.766 -64.249 26.851 1.00 41.20 ? 142 THR C CB 1 ATOM 3984 O OG1 . THR C 3 141 ? -98.688 -62.946 26.256 1.00 40.86 ? 142 THR C OG1 1 ATOM 3985 C CG2 . THR C 3 141 ? -100.135 -64.874 26.547 1.00 40.98 ? 142 THR C CG2 1 ATOM 3986 N N . ASP C 3 142 ? -99.150 -61.858 28.731 1.00 43.72 ? 143 ASP C N 1 ATOM 3987 C CA . ASP C 3 142 ? -99.966 -60.698 29.109 1.00 45.44 ? 143 ASP C CA 1 ATOM 3988 C C . ASP C 3 142 ? -99.953 -60.393 30.607 1.00 48.73 ? 143 ASP C C 1 ATOM 3989 O O . ASP C 3 142 ? -100.891 -59.790 31.139 1.00 51.17 ? 143 ASP C O 1 ATOM 3990 C CB . ASP C 3 142 ? -101.410 -60.807 28.584 1.00 46.96 ? 143 ASP C CB 1 ATOM 3991 C CG . ASP C 3 142 ? -101.494 -60.997 27.058 1.00 46.93 ? 143 ASP C CG 1 ATOM 3992 O OD1 . ASP C 3 142 ? -100.535 -60.600 26.350 1.00 45.15 ? 143 ASP C OD1 1 ATOM 3993 O OD2 . ASP C 3 142 ? -102.536 -61.544 26.567 1.00 48.77 ? 143 ASP C OD2 1 ATOM 3994 N N . PHE C 3 143 ? -98.891 -60.792 31.298 1.00 49.02 ? 144 PHE C N 1 ATOM 3995 C CA . PHE C 3 143 ? -98.775 -60.454 32.715 1.00 52.61 ? 144 PHE C CA 1 ATOM 3996 C C . PHE C 3 143 ? -98.136 -59.061 32.846 1.00 54.26 ? 144 PHE C C 1 ATOM 3997 O O . PHE C 3 143 ? -97.464 -58.601 31.919 1.00 51.83 ? 144 PHE C O 1 ATOM 3998 C CB . PHE C 3 143 ? -98.005 -61.536 33.489 1.00 53.23 ? 144 PHE C CB 1 ATOM 3999 C CG . PHE C 3 143 ? -96.694 -61.942 32.856 1.00 48.86 ? 144 PHE C CG 1 ATOM 4000 C CD1 . PHE C 3 143 ? -95.502 -61.290 33.190 1.00 49.33 ? 144 PHE C CD1 1 ATOM 4001 C CD2 . PHE C 3 143 ? -96.643 -62.986 31.944 1.00 45.98 ? 144 PHE C CD2 1 ATOM 4002 C CE1 . PHE C 3 143 ? -94.276 -61.672 32.599 1.00 47.63 ? 144 PHE C CE1 1 ATOM 4003 C CE2 . PHE C 3 143 ? -95.434 -63.374 31.345 1.00 43.54 ? 144 PHE C CE2 1 ATOM 4004 C CZ . PHE C 3 143 ? -94.246 -62.718 31.682 1.00 43.52 ? 144 PHE C CZ 1 ATOM 4005 N N . ASP C 3 144 ? -98.344 -58.376 33.971 1.00 59.40 ? 145 ASP C N 1 ATOM 4006 C CA . ASP C 3 144 ? -97.698 -57.072 34.132 1.00 61.96 ? 145 ASP C CA 1 ATOM 4007 C C . ASP C 3 144 ? -96.242 -57.240 34.577 1.00 62.94 ? 145 ASP C C 1 ATOM 4008 O O . ASP C 3 144 ? -95.812 -58.349 34.889 1.00 62.45 ? 145 ASP C O 1 ATOM 4009 C CB . ASP C 3 144 ? -98.493 -56.126 35.043 1.00 66.16 ? 145 ASP C CB 1 ATOM 4010 C CG . ASP C 3 144 ? -98.572 -56.608 36.472 1.00 71.86 ? 145 ASP C CG 1 ATOM 4011 O OD1 . ASP C 3 144 ? -97.766 -57.476 36.869 1.00 73.93 ? 145 ASP C OD1 1 ATOM 4012 O OD2 . ASP C 3 144 ? -99.449 -56.106 37.210 1.00 77.09 ? 145 ASP C OD2 1 ATOM 4013 N N . SER C 3 145 ? -95.496 -56.141 34.617 1.00 65.29 ? 146 SER C N 1 ATOM 4014 C CA . SER C 3 145 ? -94.040 -56.238 34.765 1.00 66.89 ? 146 SER C CA 1 ATOM 4015 C C . SER C 3 145 ? -93.582 -56.490 36.195 1.00 72.15 ? 146 SER C C 1 ATOM 4016 O O . SER C 3 145 ? -92.405 -56.719 36.451 1.00 74.09 ? 146 SER C O 1 ATOM 4017 C CB . SER C 3 145 ? -93.339 -55.038 34.122 1.00 67.16 ? 146 SER C CB 1 ATOM 4018 O OG . SER C 3 145 ? -93.594 -55.013 32.711 1.00 62.86 ? 146 SER C OG 1 ATOM 4019 N N . GLN C 3 146 ? -94.527 -56.498 37.120 1.00 75.48 ? 147 GLN C N 1 ATOM 4020 C CA . GLN C 3 146 ? -94.224 -56.892 38.479 1.00 81.19 ? 147 GLN C CA 1 ATOM 4021 C C . GLN C 3 146 ? -93.988 -58.414 38.576 1.00 79.96 ? 147 GLN C C 1 ATOM 4022 O O . GLN C 3 146 ? -93.269 -58.887 39.459 1.00 83.98 ? 147 GLN C O 1 ATOM 4023 C CB . GLN C 3 146 ? -95.324 -56.401 39.433 1.00 85.54 ? 147 GLN C CB 1 ATOM 4024 C CG . GLN C 3 146 ? -95.501 -54.876 39.435 1.00 88.24 ? 147 GLN C CG 1 ATOM 4025 C CD . GLN C 3 146 ? -96.820 -54.425 40.074 1.00 93.03 ? 147 GLN C CD 1 ATOM 4026 O OE1 . GLN C 3 146 ? -96.846 -53.977 41.227 1.00 97.19 ? 147 GLN C OE1 1 ATOM 4027 N NE2 . GLN C 3 146 ? -97.924 -54.559 39.325 1.00 89.67 ? 147 GLN C NE2 1 ATOM 4028 N N . THR C 3 147 ? -94.573 -59.174 37.658 1.00 75.18 ? 148 THR C N 1 ATOM 4029 C CA . THR C 3 147 ? -94.384 -60.624 37.638 1.00 74.35 ? 148 THR C CA 1 ATOM 4030 C C . THR C 3 147 ? -92.985 -61.017 37.152 1.00 72.88 ? 148 THR C C 1 ATOM 4031 O O . THR C 3 147 ? -92.492 -60.499 36.149 1.00 70.03 ? 148 THR C O 1 ATOM 4032 C CB . THR C 3 147 ? -95.501 -61.326 36.825 1.00 70.66 ? 148 THR C CB 1 ATOM 4033 O OG1 . THR C 3 147 ? -96.734 -61.249 37.558 1.00 74.94 ? 148 THR C OG1 1 ATOM 4034 C CG2 . THR C 3 147 ? -95.166 -62.794 36.560 1.00 68.93 ? 148 THR C CG2 1 ATOM 4035 N N . ASN C 3 148 ? -92.352 -61.921 37.893 1.00 76.28 ? 149 ASN C N 1 ATOM 4036 C CA . ASN C 3 148 ? -91.053 -62.489 37.537 1.00 75.71 ? 149 ASN C CA 1 ATOM 4037 C C . ASN C 3 148 ? -91.194 -63.925 37.070 1.00 73.71 ? 149 ASN C C 1 ATOM 4038 O O . ASN C 3 148 ? -91.973 -64.693 37.625 1.00 75.08 ? 149 ASN C O 1 ATOM 4039 C CB . ASN C 3 148 ? -90.103 -62.447 38.745 1.00 82.25 ? 149 ASN C CB 1 ATOM 4040 C CG . ASN C 3 148 ? -89.457 -61.091 38.933 1.00 84.22 ? 149 ASN C CG 1 ATOM 4041 O OD1 . ASN C 3 148 ? -88.921 -60.500 37.988 1.00 82.54 ? 149 ASN C OD1 1 ATOM 4042 N ND2 . ASN C 3 148 ? -89.500 -60.593 40.152 1.00 89.72 ? 149 ASN C ND2 1 ATOM 4043 N N . VAL C 3 149 ? -90.444 -64.297 36.041 1.00 70.92 ? 150 VAL C N 1 ATOM 4044 C CA . VAL C 3 149 ? -90.476 -65.678 35.590 1.00 70.04 ? 150 VAL C CA 1 ATOM 4045 C C . VAL C 3 149 ? -89.289 -66.429 36.179 1.00 74.52 ? 150 VAL C C 1 ATOM 4046 O O . VAL C 3 149 ? -88.137 -66.053 35.969 1.00 75.48 ? 150 VAL C O 1 ATOM 4047 C CB . VAL C 3 149 ? -90.539 -65.784 34.058 1.00 64.68 ? 150 VAL C CB 1 ATOM 4048 C CG1 . VAL C 3 149 ? -90.378 -67.223 33.609 1.00 63.37 ? 150 VAL C CG1 1 ATOM 4049 C CG2 . VAL C 3 149 ? -91.868 -65.232 33.570 1.00 62.11 ? 150 VAL C CG2 1 ATOM 4050 N N . SER C 3 150 ? -89.583 -67.475 36.943 1.00 78.43 ? 151 SER C N 1 ATOM 4051 C CA . SER C 3 150 ? -88.540 -68.304 37.527 1.00 83.35 ? 151 SER C CA 1 ATOM 4052 C C . SER C 3 150 ? -88.195 -69.504 36.644 1.00 81.67 ? 151 SER C C 1 ATOM 4053 O O . SER C 3 150 ? -89.059 -70.060 35.957 1.00 78.25 ? 151 SER C O 1 ATOM 4054 C CB . SER C 3 150 ? -88.935 -68.760 38.930 1.00 89.68 ? 151 SER C CB 1 ATOM 4055 O OG . SER C 3 150 ? -88.601 -67.771 39.894 1.00 94.32 ? 151 SER C OG 1 ATOM 4056 N N . GLN C 3 151 ? -86.920 -69.884 36.674 1.00 84.44 ? 152 GLN C N 1 ATOM 4057 C CA . GLN C 3 151 ? -86.429 -71.045 35.946 1.00 84.58 ? 152 GLN C CA 1 ATOM 4058 C C . GLN C 3 151 ? -87.001 -72.346 36.521 1.00 88.08 ? 152 GLN C C 1 ATOM 4059 O O . GLN C 3 151 ? -87.388 -72.407 37.689 1.00 92.62 ? 152 GLN C O 1 ATOM 4060 C CB . GLN C 3 151 ? -84.891 -71.055 35.913 1.00 87.80 ? 152 GLN C CB 1 ATOM 4061 C CG . GLN C 3 151 ? -84.264 -69.801 35.256 1.00 86.37 ? 152 GLN C CG 1 ATOM 4062 C CD . GLN C 3 151 ? -84.730 -69.569 33.814 1.00 81.43 ? 152 GLN C CD 1 ATOM 4063 O OE1 . GLN C 3 151 ? -84.397 -70.341 32.916 1.00 81.28 ? 152 GLN C OE1 1 ATOM 4064 N NE2 . GLN C 3 151 ? -85.487 -68.494 33.592 1.00 77.96 ? 152 GLN C NE2 1 ATOM 4065 N N . SER C 3 152 ? -87.067 -73.378 35.682 1.00 86.55 ? 153 SER C N 1 ATOM 4066 C CA . SER C 3 152 ? -87.759 -74.630 36.016 1.00 89.30 ? 153 SER C CA 1 ATOM 4067 C C . SER C 3 152 ? -87.151 -75.409 37.185 1.00 96.33 ? 153 SER C C 1 ATOM 4068 O O . SER C 3 152 ? -85.959 -75.290 37.469 1.00 99.04 ? 153 SER C O 1 ATOM 4069 C CB . SER C 3 152 ? -87.815 -75.543 34.787 1.00 86.91 ? 153 SER C CB 1 ATOM 4070 O OG . SER C 3 152 ? -88.314 -76.819 35.158 1.00 91.96 ? 153 SER C OG 1 ATOM 4071 N N . LYS C 3 153 ? -87.984 -76.223 37.835 1.00 99.52 ? 154 LYS C N 1 ATOM 4072 C CA . LYS C 3 153 ? -87.525 -77.129 38.889 1.00 106.98 ? 154 LYS C CA 1 ATOM 4073 C C . LYS C 3 153 ? -87.119 -78.495 38.324 1.00 108.44 ? 154 LYS C C 1 ATOM 4074 O O . LYS C 3 153 ? -86.928 -79.453 39.073 1.00 115.30 ? 154 LYS C O 1 ATOM 4075 C CB . LYS C 3 153 ? -88.592 -77.294 39.980 1.00 111.69 ? 154 LYS C CB 1 ATOM 4076 N N . ASP C 3 154 ? -86.971 -78.576 37.004 1.00 101.95 ? 155 ASP C N 1 ATOM 4077 C CA . ASP C 3 154 ? -86.633 -79.837 36.355 1.00 103.08 ? 155 ASP C CA 1 ATOM 4078 C C . ASP C 3 154 ? -85.693 -79.599 35.174 1.00 98.05 ? 155 ASP C C 1 ATOM 4079 O O . ASP C 3 154 ? -85.954 -78.734 34.333 1.00 91.46 ? 155 ASP C O 1 ATOM 4080 C CB . ASP C 3 154 ? -87.916 -80.564 35.917 1.00 102.42 ? 155 ASP C CB 1 ATOM 4081 C CG . ASP C 3 154 ? -87.710 -82.059 35.710 1.00 107.89 ? 155 ASP C CG 1 ATOM 4082 O OD1 . ASP C 3 154 ? -87.046 -82.446 34.722 1.00 106.59 ? 155 ASP C OD1 1 ATOM 4083 O OD2 . ASP C 3 154 ? -88.228 -82.848 36.530 1.00 114.55 ? 155 ASP C OD2 1 ATOM 4084 N N . SER C 3 155 ? -84.601 -80.365 35.123 1.00 101.31 ? 156 SER C N 1 ATOM 4085 C CA . SER C 3 155 ? -83.600 -80.232 34.056 1.00 97.68 ? 156 SER C CA 1 ATOM 4086 C C . SER C 3 155 ? -84.151 -80.621 32.685 1.00 92.32 ? 156 SER C C 1 ATOM 4087 O O . SER C 3 155 ? -83.619 -80.199 31.659 1.00 88.36 ? 156 SER C O 1 ATOM 4088 C CB . SER C 3 155 ? -82.355 -81.065 34.363 1.00 104.60 ? 156 SER C CB 1 ATOM 4089 O OG . SER C 3 155 ? -82.530 -82.415 33.970 1.00 107.14 ? 156 SER C OG 1 ATOM 4090 N N . ASP C 3 156 ? -85.207 -81.435 32.679 1.00 92.59 ? 157 ASP C N 1 ATOM 4091 C CA . ASP C 3 156 ? -85.891 -81.842 31.441 1.00 88.22 ? 157 ASP C CA 1 ATOM 4092 C C . ASP C 3 156 ? -86.879 -80.787 30.920 1.00 80.61 ? 157 ASP C C 1 ATOM 4093 O O . ASP C 3 156 ? -87.296 -80.835 29.755 1.00 77.05 ? 157 ASP C O 1 ATOM 4094 C CB . ASP C 3 156 ? -86.598 -83.197 31.624 1.00 93.22 ? 157 ASP C CB 1 ATOM 4095 C CG . ASP C 3 156 ? -85.793 -84.362 31.060 1.00 97.71 ? 157 ASP C CG 1 ATOM 4096 O OD1 . ASP C 3 156 ? -85.897 -85.483 31.612 1.00 104.02 ? 157 ASP C OD1 1 ATOM 4097 O OD2 . ASP C 3 156 ? -85.064 -84.161 30.060 1.00 95.25 ? 157 ASP C OD2 1 ATOM 4098 N N . VAL C 3 157 ? -87.241 -79.846 31.791 1.00 78.55 ? 158 VAL C N 1 ATOM 4099 C CA . VAL C 3 157 ? -88.157 -78.758 31.455 1.00 72.09 ? 158 VAL C CA 1 ATOM 4100 C C . VAL C 3 157 ? -87.364 -77.481 31.191 1.00 68.07 ? 158 VAL C C 1 ATOM 4101 O O . VAL C 3 157 ? -86.401 -77.190 31.899 1.00 71.00 ? 158 VAL C O 1 ATOM 4102 C CB . VAL C 3 157 ? -89.179 -78.530 32.595 1.00 73.91 ? 158 VAL C CB 1 ATOM 4103 C CG1 . VAL C 3 157 ? -90.083 -77.342 32.305 1.00 67.86 ? 158 VAL C CG1 1 ATOM 4104 C CG2 . VAL C 3 157 ? -90.008 -79.787 32.834 1.00 77.96 ? 158 VAL C CG2 1 ATOM 4105 N N . TYR C 3 158 ? -87.774 -76.724 30.178 1.00 62.05 ? 159 TYR C N 1 ATOM 4106 C CA . TYR C 3 158 ? -87.095 -75.485 29.800 1.00 58.74 ? 159 TYR C CA 1 ATOM 4107 C C . TYR C 3 158 ? -88.022 -74.287 29.866 1.00 55.40 ? 159 TYR C C 1 ATOM 4108 O O . TYR C 3 158 ? -89.114 -74.301 29.301 1.00 53.27 ? 159 TYR C O 1 ATOM 4109 C CB . TYR C 3 158 ? -86.529 -75.607 28.377 1.00 56.19 ? 159 TYR C CB 1 ATOM 4110 C CG . TYR C 3 158 ? -85.595 -76.774 28.241 1.00 59.80 ? 159 TYR C CG 1 ATOM 4111 C CD1 . TYR C 3 158 ? -84.279 -76.692 28.705 1.00 62.93 ? 159 TYR C CD1 1 ATOM 4112 C CD2 . TYR C 3 158 ? -86.028 -77.980 27.692 1.00 60.69 ? 159 TYR C CD2 1 ATOM 4113 C CE1 . TYR C 3 158 ? -83.418 -77.772 28.608 1.00 66.23 ? 159 TYR C CE1 1 ATOM 4114 C CE2 . TYR C 3 158 ? -85.165 -79.071 27.593 1.00 65.21 ? 159 TYR C CE2 1 ATOM 4115 C CZ . TYR C 3 158 ? -83.864 -78.954 28.050 1.00 67.56 ? 159 TYR C CZ 1 ATOM 4116 O OH . TYR C 3 158 ? -83.000 -80.016 27.953 1.00 73.07 ? 159 TYR C OH 1 ATOM 4117 N N . ILE C 3 159 ? -87.587 -73.236 30.548 1.00 55.97 ? 160 ILE C N 1 ATOM 4118 C CA . ILE C 3 159 ? -88.384 -72.011 30.630 1.00 53.02 ? 160 ILE C CA 1 ATOM 4119 C C . ILE C 3 159 ? -87.499 -70.828 30.319 1.00 51.95 ? 160 ILE C C 1 ATOM 4120 O O . ILE C 3 159 ? -86.434 -70.670 30.908 1.00 54.61 ? 160 ILE C O 1 ATOM 4121 C CB . ILE C 3 159 ? -89.036 -71.846 32.038 1.00 55.97 ? 160 ILE C CB 1 ATOM 4122 C CG1 . ILE C 3 159 ? -89.812 -73.116 32.412 1.00 58.21 ? 160 ILE C CG1 1 ATOM 4123 C CG2 . ILE C 3 159 ? -89.942 -70.627 32.073 1.00 51.94 ? 160 ILE C CG2 1 ATOM 4124 C CD1 . ILE C 3 159 ? -90.410 -73.138 33.825 1.00 63.05 ? 160 ILE C CD1 1 ATOM 4125 N N . THR C 3 160 ? -87.950 -70.008 29.386 1.00 49.41 ? 161 THR C N 1 ATOM 4126 C CA . THR C 3 160 ? -87.231 -68.807 28.967 1.00 50.20 ? 161 THR C CA 1 ATOM 4127 C C . THR C 3 160 ? -87.592 -67.659 29.891 1.00 51.79 ? 161 THR C C 1 ATOM 4128 O O . THR C 3 160 ? -88.541 -67.771 30.676 1.00 52.51 ? 161 THR C O 1 ATOM 4129 C CB . THR C 3 160 ? -87.581 -68.395 27.524 1.00 46.26 ? 161 THR C CB 1 ATOM 4130 O OG1 . THR C 3 160 ? -88.882 -67.791 27.505 1.00 46.96 ? 161 THR C OG1 1 ATOM 4131 C CG2 . THR C 3 160 ? -87.551 -69.595 26.587 1.00 45.70 ? 161 THR C CG2 1 ATOM 4132 N N . ASP C 3 161 ? -86.820 -66.574 29.832 1.00 53.65 ? 162 ASP C N 1 ATOM 4133 C CA . ASP C 3 161 ? -87.120 -65.411 30.667 1.00 56.31 ? 162 ASP C CA 1 ATOM 4134 C C . ASP C 3 161 ? -88.239 -64.634 29.980 1.00 52.82 ? 162 ASP C C 1 ATOM 4135 O O . ASP C 3 161 ? -88.617 -64.953 28.854 1.00 49.31 ? 162 ASP C O 1 ATOM 4136 C CB . ASP C 3 161 ? -85.875 -64.552 30.929 1.00 59.79 ? 162 ASP C CB 1 ATOM 4137 C CG . ASP C 3 161 ? -85.994 -63.693 32.212 1.00 66.28 ? 162 ASP C CG 1 ATOM 4138 O OD1 . ASP C 3 161 ? -86.982 -63.844 32.990 1.00 68.98 ? 162 ASP C OD1 1 ATOM 4139 O OD2 . ASP C 3 161 ? -85.078 -62.863 32.451 1.00 70.55 ? 162 ASP C OD2 1 ATOM 4140 N N . LYS C 3 162 ? -88.816 -63.666 30.682 1.00 54.23 ? 163 LYS C N 1 ATOM 4141 C CA . LYS C 3 162 ? -89.897 -62.872 30.107 1.00 51.47 ? 163 LYS C CA 1 ATOM 4142 C C . LYS C 3 162 ? -89.258 -61.975 29.072 1.00 50.34 ? 163 LYS C C 1 ATOM 4143 O O . LYS C 3 162 ? -88.063 -61.707 29.145 1.00 52.06 ? 163 LYS C O 1 ATOM 4144 C CB . LYS C 3 162 ? -90.595 -62.029 31.169 1.00 53.58 ? 163 LYS C CB 1 ATOM 4145 C CG . LYS C 3 162 ? -89.670 -61.127 31.994 1.00 56.91 ? 163 LYS C CG 1 ATOM 4146 C CD . LYS C 3 162 ? -90.480 -60.174 32.875 1.00 59.58 ? 163 LYS C CD 1 ATOM 4147 C CE . LYS C 3 162 ? -89.638 -59.536 33.946 1.00 64.79 ? 163 LYS C CE 1 ATOM 4148 N NZ . LYS C 3 162 ? -90.501 -58.813 34.926 1.00 70.56 ? 163 LYS C NZ 1 ATOM 4149 N N . CYS C 3 163 ? -90.049 -61.514 28.117 1.00 47.40 ? 164 CYS C N 1 ATOM 4150 C CA . CYS C 3 163 ? -89.542 -60.658 27.074 1.00 47.62 ? 164 CYS C CA 1 ATOM 4151 C C . CYS C 3 163 ? -90.744 -59.826 26.614 1.00 44.57 ? 164 CYS C C 1 ATOM 4152 O O . CYS C 3 163 ? -91.875 -60.278 26.726 1.00 43.78 ? 164 CYS C O 1 ATOM 4153 C CB . CYS C 3 163 ? -88.932 -61.580 26.004 1.00 47.64 ? 164 CYS C CB 1 ATOM 4154 S SG . CYS C 3 163 ? -88.601 -60.968 24.363 1.00 53.65 ? 164 CYS C SG 1 ATOM 4155 N N . VAL C 3 164 ? -90.535 -58.588 26.192 1.00 43.42 ? 165 VAL C N 1 ATOM 4156 C CA . VAL C 3 164 ? -91.668 -57.758 25.781 1.00 41.92 ? 165 VAL C CA 1 ATOM 4157 C C . VAL C 3 164 ? -91.757 -57.503 24.284 1.00 39.44 ? 165 VAL C C 1 ATOM 4158 O O . VAL C 3 164 ? -90.794 -57.061 23.664 1.00 40.21 ? 165 VAL C O 1 ATOM 4159 C CB . VAL C 3 164 ? -91.628 -56.326 26.365 1.00 44.92 ? 165 VAL C CB 1 ATOM 4160 C CG1 . VAL C 3 164 ? -93.020 -55.884 26.757 1.00 43.79 ? 165 VAL C CG1 1 ATOM 4161 C CG2 . VAL C 3 164 ? -90.628 -56.182 27.472 1.00 49.21 ? 165 VAL C CG2 1 ATOM 4162 N N . LEU C 3 165 ? -92.937 -57.671 23.721 1.00 36.65 ? 166 LEU C N 1 ATOM 4163 C CA . LEU C 3 165 ? -93.117 -57.322 22.320 1.00 35.93 ? 166 LEU C CA 1 ATOM 4164 C C . LEU C 3 165 ? -94.018 -56.091 22.183 1.00 37.74 ? 166 LEU C C 1 ATOM 4165 O O . LEU C 3 165 ? -94.941 -55.863 22.990 1.00 38.61 ? 166 LEU C O 1 ATOM 4166 C CB . LEU C 3 165 ? -93.675 -58.500 21.520 1.00 33.80 ? 166 LEU C CB 1 ATOM 4167 C CG . LEU C 3 165 ? -95.028 -59.087 21.950 1.00 33.07 ? 166 LEU C CG 1 ATOM 4168 C CD1 . LEU C 3 165 ? -96.207 -58.266 21.361 1.00 34.36 ? 166 LEU C CD1 1 ATOM 4169 C CD2 . LEU C 3 165 ? -95.121 -60.567 21.515 1.00 30.23 ? 166 LEU C CD2 1 ATOM 4170 N N . ASP C 3 166 ? -93.747 -55.313 21.145 1.00 38.58 ? 167 ASP C N 1 ATOM 4171 C CA . ASP C 3 166 ? -94.473 -54.089 20.868 1.00 40.21 ? 167 ASP C CA 1 ATOM 4172 C C . ASP C 3 166 ? -95.103 -54.209 19.485 1.00 40.11 ? 167 ASP C C 1 ATOM 4173 O O . ASP C 3 166 ? -94.392 -54.202 18.466 1.00 39.10 ? 167 ASP C O 1 ATOM 4174 C CB . ASP C 3 166 ? -93.518 -52.875 20.945 1.00 42.27 ? 167 ASP C CB 1 ATOM 4175 C CG . ASP C 3 166 ? -94.241 -51.552 20.822 1.00 46.18 ? 167 ASP C CG 1 ATOM 4176 O OD1 . ASP C 3 166 ? -95.480 -51.551 20.657 1.00 49.06 ? 167 ASP C OD1 1 ATOM 4177 O OD2 . ASP C 3 166 ? -93.588 -50.490 20.905 1.00 51.80 ? 167 ASP C OD2 1 ATOM 4178 N N . MET C 3 167 ? -96.433 -54.342 19.473 1.00 40.63 ? 168 MET C N 1 ATOM 4179 C CA . MET C 3 167 ? -97.245 -54.243 18.248 1.00 43.40 ? 168 MET C CA 1 ATOM 4180 C C . MET C 3 167 ? -97.512 -52.777 17.922 1.00 47.89 ? 168 MET C C 1 ATOM 4181 O O . MET C 3 167 ? -98.512 -52.209 18.379 1.00 50.10 ? 168 MET C O 1 ATOM 4182 C CB . MET C 3 167 ? -98.572 -54.984 18.423 1.00 42.59 ? 168 MET C CB 1 ATOM 4183 C CG . MET C 3 167 ? -98.407 -56.450 18.819 1.00 40.35 ? 168 MET C CG 1 ATOM 4184 S SD . MET C 3 167 ? -99.974 -57.319 19.141 1.00 41.41 ? 168 MET C SD 1 ATOM 4185 C CE . MET C 3 167 ? -100.619 -57.429 17.451 1.00 43.81 ? 168 MET C CE 1 ATOM 4186 N N . ARG C 3 168 ? -96.626 -52.164 17.145 1.00 50.85 ? 169 ARG C N 1 ATOM 4187 C CA . ARG C 3 168 ? -96.623 -50.697 16.990 1.00 56.95 ? 169 ARG C CA 1 ATOM 4188 C C . ARG C 3 168 ? -97.904 -50.111 16.381 1.00 60.74 ? 169 ARG C C 1 ATOM 4189 O O . ARG C 3 168 ? -98.392 -49.080 16.833 1.00 63.39 ? 169 ARG C O 1 ATOM 4190 C CB . ARG C 3 168 ? -95.397 -50.238 16.205 1.00 59.21 ? 169 ARG C CB 1 ATOM 4191 C CG . ARG C 3 168 ? -94.134 -50.528 16.931 1.00 60.27 ? 169 ARG C CG 1 ATOM 4192 C CD . ARG C 3 168 ? -92.906 -50.217 16.101 1.00 69.67 ? 169 ARG C CD 1 ATOM 4193 N NE . ARG C 3 168 ? -91.830 -51.090 16.558 1.00 73.37 ? 169 ARG C NE 1 ATOM 4194 C CZ . ARG C 3 168 ? -91.039 -50.835 17.601 1.00 75.90 ? 169 ARG C CZ 1 ATOM 4195 N NH1 . ARG C 3 168 ? -91.169 -49.697 18.293 1.00 78.54 ? 169 ARG C NH1 1 ATOM 4196 N NH2 . ARG C 3 168 ? -90.106 -51.722 17.939 1.00 74.44 ? 169 ARG C NH2 1 ATOM 4197 N N . SER C 3 169 ? -98.424 -50.791 15.360 1.00 61.93 ? 170 SER C N 1 ATOM 4198 C CA . SER C 3 169 ? -99.681 -50.458 14.704 1.00 66.32 ? 170 SER C CA 1 ATOM 4199 C C . SER C 3 169 ? -100.854 -50.342 15.690 1.00 67.03 ? 170 SER C C 1 ATOM 4200 O O . SER C 3 169 ? -101.737 -49.492 15.521 1.00 71.25 ? 170 SER C O 1 ATOM 4201 C CB . SER C 3 169 ? -99.999 -51.530 13.664 1.00 65.99 ? 170 SER C CB 1 ATOM 4202 O OG . SER C 3 169 ? -100.876 -51.019 12.685 1.00 72.03 ? 170 SER C OG 1 ATOM 4203 N N . MET C 3 170 ? -100.853 -51.196 16.714 1.00 63.57 ? 171 MET C N 1 ATOM 4204 C CA . MET C 3 170 ? -101.926 -51.227 17.702 1.00 64.77 ? 171 MET C CA 1 ATOM 4205 C C . MET C 3 170 ? -101.657 -50.395 18.975 1.00 64.62 ? 171 MET C C 1 ATOM 4206 O O . MET C 3 170 ? -102.543 -50.260 19.813 1.00 65.47 ? 171 MET C O 1 ATOM 4207 C CB . MET C 3 170 ? -102.268 -52.685 18.062 1.00 61.63 ? 171 MET C CB 1 ATOM 4208 C CG . MET C 3 170 ? -103.409 -53.285 17.224 1.00 67.09 ? 171 MET C CG 1 ATOM 4209 S SD . MET C 3 170 ? -103.380 -55.102 17.188 1.00 70.21 ? 171 MET C SD 1 ATOM 4210 C CE . MET C 3 170 ? -104.907 -55.474 16.320 1.00 74.15 ? 171 MET C CE 1 ATOM 4211 N N . ASP C 3 171 ? -100.451 -49.833 19.098 1.00 64.13 ? 172 ASP C N 1 ATOM 4212 C CA . ASP C 3 171 ? -99.938 -49.271 20.368 1.00 64.43 ? 172 ASP C CA 1 ATOM 4213 C C . ASP C 3 171 ? -100.180 -50.227 21.555 1.00 60.67 ? 172 ASP C C 1 ATOM 4214 O O . ASP C 3 171 ? -100.886 -49.914 22.521 1.00 62.73 ? 172 ASP C O 1 ATOM 4215 C CB . ASP C 3 171 ? -100.481 -47.848 20.636 1.00 69.72 ? 172 ASP C CB 1 ATOM 4216 C CG . ASP C 3 171 ? -99.481 -46.964 21.406 1.00 73.25 ? 172 ASP C CG 1 ATOM 4217 O OD1 . ASP C 3 171 ? -98.348 -47.434 21.673 1.00 71.68 ? 172 ASP C OD1 1 ATOM 4218 O OD2 . ASP C 3 171 ? -99.826 -45.792 21.733 1.00 78.36 ? 172 ASP C OD2 1 ATOM 4219 N N . PHE C 3 172 ? -99.584 -51.407 21.457 1.00 56.03 ? 173 PHE C N 1 ATOM 4220 C CA . PHE C 3 172 ? -99.865 -52.492 22.378 1.00 52.68 ? 173 PHE C CA 1 ATOM 4221 C C . PHE C 3 172 ? -98.608 -53.306 22.716 1.00 48.85 ? 173 PHE C C 1 ATOM 4222 O O . PHE C 3 172 ? -97.963 -53.877 21.838 1.00 46.93 ? 173 PHE C O 1 ATOM 4223 C CB . PHE C 3 172 ? -100.945 -53.403 21.790 1.00 52.25 ? 173 PHE C CB 1 ATOM 4224 C CG . PHE C 3 172 ? -101.206 -54.621 22.616 1.00 51.18 ? 173 PHE C CG 1 ATOM 4225 C CD1 . PHE C 3 172 ? -102.243 -54.630 23.556 1.00 53.78 ? 173 PHE C CD1 1 ATOM 4226 C CD2 . PHE C 3 172 ? -100.412 -55.756 22.470 1.00 48.08 ? 173 PHE C CD2 1 ATOM 4227 C CE1 . PHE C 3 172 ? -102.481 -55.748 24.346 1.00 52.61 ? 173 PHE C CE1 1 ATOM 4228 C CE2 . PHE C 3 172 ? -100.639 -56.879 23.249 1.00 48.44 ? 173 PHE C CE2 1 ATOM 4229 C CZ . PHE C 3 172 ? -101.682 -56.877 24.195 1.00 49.87 ? 173 PHE C CZ 1 ATOM 4230 N N . LYS C 3 173 ? -98.297 -53.380 24.000 1.00 47.92 ? 174 LYS C N 1 ATOM 4231 C CA . LYS C 3 173 ? -97.153 -54.127 24.498 1.00 45.17 ? 174 LYS C CA 1 ATOM 4232 C C . LYS C 3 173 ? -97.612 -55.300 25.346 1.00 43.79 ? 174 LYS C C 1 ATOM 4233 O O . LYS C 3 173 ? -98.593 -55.194 26.079 1.00 45.44 ? 174 LYS C O 1 ATOM 4234 C CB . LYS C 3 173 ? -96.247 -53.198 25.319 1.00 47.30 ? 174 LYS C CB 1 ATOM 4235 C CG . LYS C 3 173 ? -95.642 -52.093 24.466 1.00 49.26 ? 174 LYS C CG 1 ATOM 4236 C CD . LYS C 3 173 ? -94.568 -51.298 25.185 1.00 52.69 ? 174 LYS C CD 1 ATOM 4237 C CE . LYS C 3 173 ? -94.172 -50.052 24.395 1.00 53.76 ? 174 LYS C CE 1 ATOM 4238 N NZ . LYS C 3 173 ? -95.314 -49.114 24.326 1.00 54.85 ? 174 LYS C NZ 1 ATOM 4239 N N . SER C 3 174 ? -96.911 -56.424 25.243 1.00 41.97 ? 175 SER C N 1 ATOM 4240 C CA . SER C 3 174 ? -97.161 -57.576 26.128 1.00 41.22 ? 175 SER C CA 1 ATOM 4241 C C . SER C 3 174 ? -95.896 -58.354 26.453 1.00 39.92 ? 175 SER C C 1 ATOM 4242 O O . SER C 3 174 ? -95.018 -58.524 25.617 1.00 39.12 ? 175 SER C O 1 ATOM 4243 C CB . SER C 3 174 ? -98.234 -58.513 25.569 1.00 39.75 ? 175 SER C CB 1 ATOM 4244 O OG . SER C 3 174 ? -97.904 -58.963 24.250 1.00 40.95 ? 175 SER C OG 1 ATOM 4245 N N . ASN C 3 175 ? -95.830 -58.807 27.692 1.00 41.47 ? 176 ASN C N 1 ATOM 4246 C CA . ASN C 3 175 ? -94.784 -59.685 28.196 1.00 41.49 ? 176 ASN C CA 1 ATOM 4247 C C . ASN C 3 175 ? -95.175 -61.130 27.851 1.00 39.79 ? 176 ASN C C 1 ATOM 4248 O O . ASN C 3 175 ? -96.360 -61.468 27.850 1.00 40.96 ? 176 ASN C O 1 ATOM 4249 C CB . ASN C 3 175 ? -94.682 -59.544 29.738 1.00 43.83 ? 176 ASN C CB 1 ATOM 4250 C CG . ASN C 3 175 ? -94.040 -58.222 30.194 1.00 46.26 ? 176 ASN C CG 1 ATOM 4251 O OD1 . ASN C 3 175 ? -93.229 -57.634 29.485 1.00 47.68 ? 176 ASN C OD1 1 ATOM 4252 N ND2 . ASN C 3 175 ? -94.373 -57.783 31.406 1.00 47.71 ? 176 ASN C ND2 1 ATOM 4253 N N . SER C 3 176 ? -94.187 -61.987 27.624 1.00 38.11 ? 177 SER C N 1 ATOM 4254 C CA . SER C 3 176 ? -94.435 -63.409 27.443 1.00 37.52 ? 177 SER C CA 1 ATOM 4255 C C . SER C 3 176 ? -93.212 -64.179 27.910 1.00 38.22 ? 177 SER C C 1 ATOM 4256 O O . SER C 3 176 ? -92.101 -63.636 27.960 1.00 38.11 ? 177 SER C O 1 ATOM 4257 C CB . SER C 3 176 ? -94.723 -63.735 25.964 1.00 35.83 ? 177 SER C CB 1 ATOM 4258 O OG . SER C 3 176 ? -93.668 -63.225 25.140 1.00 37.80 ? 177 SER C OG 1 ATOM 4259 N N . ALA C 3 177 ? -93.421 -65.448 28.261 1.00 38.77 ? 178 ALA C N 1 ATOM 4260 C CA . ALA C 3 177 ? -92.326 -66.388 28.476 1.00 39.33 ? 178 ALA C CA 1 ATOM 4261 C C . ALA C 3 177 ? -92.832 -67.752 28.028 1.00 39.24 ? 178 ALA C C 1 ATOM 4262 O O . ALA C 3 177 ? -94.033 -68.019 28.059 1.00 40.17 ? 178 ALA C O 1 ATOM 4263 C CB . ALA C 3 177 ? -91.899 -66.406 29.956 1.00 42.95 ? 178 ALA C CB 1 ATOM 4264 N N . VAL C 3 178 ? -91.913 -68.608 27.609 1.00 38.76 ? 179 VAL C N 1 ATOM 4265 C CA . VAL C 3 178 ? -92.246 -69.846 26.927 1.00 37.96 ? 179 VAL C CA 1 ATOM 4266 C C . VAL C 3 178 ? -91.627 -70.996 27.710 1.00 41.15 ? 179 VAL C C 1 ATOM 4267 O O . VAL C 3 178 ? -90.503 -70.882 28.174 1.00 42.82 ? 179 VAL C O 1 ATOM 4268 C CB . VAL C 3 178 ? -91.639 -69.811 25.516 1.00 36.70 ? 179 VAL C CB 1 ATOM 4269 C CG1 . VAL C 3 178 ? -91.917 -71.076 24.720 1.00 35.73 ? 179 VAL C CG1 1 ATOM 4270 C CG2 . VAL C 3 178 ? -92.116 -68.567 24.772 1.00 34.06 ? 179 VAL C CG2 1 ATOM 4271 N N . ALA C 3 179 ? -92.371 -72.078 27.897 1.00 42.74 ? 180 ALA C N 1 ATOM 4272 C CA . ALA C 3 179 ? -91.837 -73.298 28.483 1.00 45.96 ? 180 ALA C CA 1 ATOM 4273 C C . ALA C 3 179 ? -92.153 -74.488 27.586 1.00 46.89 ? 180 ALA C C 1 ATOM 4274 O O . ALA C 3 179 ? -93.179 -74.487 26.891 1.00 45.34 ? 180 ALA C O 1 ATOM 4275 C CB . ALA C 3 179 ? -92.412 -73.517 29.862 1.00 49.87 ? 180 ALA C CB 1 ATOM 4276 N N . TRP C 3 180 ? -91.266 -75.483 27.597 1.00 49.64 ? 181 TRP C N 1 ATOM 4277 C CA . TRP C 3 180 ? -91.486 -76.768 26.920 1.00 53.13 ? 181 TRP C CA 1 ATOM 4278 C C . TRP C 3 180 ? -90.653 -77.873 27.559 1.00 59.06 ? 181 TRP C C 1 ATOM 4279 O O . TRP C 3 180 ? -89.798 -77.605 28.403 1.00 60.49 ? 181 TRP C O 1 ATOM 4280 C CB . TRP C 3 180 ? -91.181 -76.691 25.419 1.00 50.15 ? 181 TRP C CB 1 ATOM 4281 C CG . TRP C 3 180 ? -89.722 -76.559 25.124 1.00 48.99 ? 181 TRP C CG 1 ATOM 4282 C CD1 . TRP C 3 180 ? -88.844 -77.568 24.795 1.00 50.62 ? 181 TRP C CD1 1 ATOM 4283 C CD2 . TRP C 3 180 ? -88.955 -75.353 25.156 1.00 45.14 ? 181 TRP C CD2 1 ATOM 4284 N NE1 . TRP C 3 180 ? -87.584 -77.056 24.620 1.00 48.69 ? 181 TRP C NE1 1 ATOM 4285 C CE2 . TRP C 3 180 ? -87.621 -75.700 24.836 1.00 46.02 ? 181 TRP C CE2 1 ATOM 4286 C CE3 . TRP C 3 180 ? -89.265 -74.008 25.427 1.00 43.64 ? 181 TRP C CE3 1 ATOM 4287 C CZ2 . TRP C 3 180 ? -86.594 -74.750 24.775 1.00 45.24 ? 181 TRP C CZ2 1 ATOM 4288 C CZ3 . TRP C 3 180 ? -88.237 -73.053 25.354 1.00 42.92 ? 181 TRP C CZ3 1 ATOM 4289 C CH2 . TRP C 3 180 ? -86.924 -73.433 25.025 1.00 43.63 ? 181 TRP C CH2 1 ATOM 4290 N N . SER C 3 181 ? -90.914 -79.114 27.150 1.00 64.27 ? 182 SER C N 1 ATOM 4291 C CA . SER C 3 181 ? -90.216 -80.278 27.695 1.00 71.54 ? 182 SER C CA 1 ATOM 4292 C C . SER C 3 181 ? -90.264 -81.483 26.768 1.00 75.71 ? 182 SER C C 1 ATOM 4293 O O . SER C 3 181 ? -91.327 -81.829 26.253 1.00 76.32 ? 182 SER C O 1 ATOM 4294 C CB . SER C 3 181 ? -90.796 -80.671 29.053 1.00 75.36 ? 182 SER C CB 1 ATOM 4295 O OG . SER C 3 181 ? -90.023 -81.701 29.633 1.00 80.22 ? 182 SER C OG 1 ATOM 4296 N N . ASN C 3 182 ? -89.112 -82.139 26.595 1.00 80.54 ? 183 ASN C N 1 ATOM 4297 C CA . ASN C 3 182 ? -88.984 -83.305 25.702 1.00 85.33 ? 183 ASN C CA 1 ATOM 4298 C C . ASN C 3 182 ? -89.640 -84.558 26.268 1.00 92.10 ? 183 ASN C C 1 ATOM 4299 O O . ASN C 3 182 ? -89.399 -85.666 25.786 1.00 96.46 ? 183 ASN C O 1 ATOM 4300 C CB . ASN C 3 182 ? -87.514 -83.574 25.329 1.00 86.96 ? 183 ASN C CB 1 ATOM 4301 C CG . ASN C 3 182 ? -87.032 -82.708 24.158 1.00 84.04 ? 183 ASN C CG 1 ATOM 4302 O OD1 . ASN C 3 182 ? -87.075 -81.473 24.219 1.00 80.34 ? 183 ASN C OD1 1 ATOM 4303 N ND2 . ASN C 3 182 ? -86.557 -83.359 23.091 1.00 86.40 ? 183 ASN C ND2 1 ATOM 4304 N N . LYS C 3 183 ? -90.454 -84.378 27.304 1.00 94.29 ? 184 LYS C N 1 ATOM 4305 C CA . LYS C 3 183 ? -91.340 -85.434 27.787 1.00 100.92 ? 184 LYS C CA 1 ATOM 4306 C C . LYS C 3 183 ? -92.715 -85.312 27.100 1.00 100.03 ? 184 LYS C C 1 ATOM 4307 O O . LYS C 3 183 ? -92.951 -84.364 26.333 1.00 94.79 ? 184 LYS C O 1 ATOM 4308 C CB . LYS C 3 183 ? -91.448 -85.402 29.319 1.00 104.32 ? 184 LYS C CB 1 ATOM 4309 C CG . LYS C 3 183 ? -90.263 -86.059 30.024 1.00 109.64 ? 184 LYS C CG 1 ATOM 4310 C CD . LYS C 3 183 ? -90.677 -86.653 31.369 1.00 117.16 ? 184 LYS C CD 1 ATOM 4311 C CE . LYS C 3 183 ? -89.823 -87.869 31.751 1.00 123.90 ? 184 LYS C CE 1 ATOM 4312 N NZ . LYS C 3 183 ? -90.330 -88.539 32.975 1.00 130.04 ? 184 LYS C NZ 1 ATOM 4313 N N . SER C 3 184 ? -93.596 -86.285 27.340 1.00 106.43 ? 185 SER C N 1 ATOM 4314 C CA . SER C 3 184 ? -94.985 -86.224 26.851 1.00 106.83 ? 185 SER C CA 1 ATOM 4315 C C . SER C 3 184 ? -96.006 -86.125 28.009 1.00 110.11 ? 185 SER C C 1 ATOM 4316 O O . SER C 3 184 ? -97.102 -85.585 27.820 1.00 108.82 ? 185 SER C O 1 ATOM 4317 C CB . SER C 3 184 ? -95.306 -87.381 25.871 1.00 111.42 ? 185 SER C CB 1 ATOM 4318 O OG . SER C 3 184 ? -95.553 -88.624 26.523 1.00 118.98 ? 185 SER C OG 1 ATOM 4319 N N . ASP C 3 185 ? -95.632 -86.622 29.197 1.00 114.73 ? 186 ASP C N 1 ATOM 4320 C CA . ASP C 3 185 ? -96.445 -86.484 30.419 1.00 118.06 ? 186 ASP C CA 1 ATOM 4321 C C . ASP C 3 185 ? -96.159 -85.179 31.194 1.00 113.42 ? 186 ASP C C 1 ATOM 4322 O O . ASP C 3 185 ? -96.026 -85.175 32.422 1.00 117.11 ? 186 ASP C O 1 ATOM 4323 C CB . ASP C 3 185 ? -96.303 -87.728 31.319 1.00 127.17 ? 186 ASP C CB 1 ATOM 4324 C CG . ASP C 3 185 ? -94.871 -87.966 31.806 1.00 128.19 ? 186 ASP C CG 1 ATOM 4325 O OD1 . ASP C 3 185 ? -93.919 -87.400 31.231 1.00 123.01 ? 186 ASP C OD1 1 ATOM 4326 O OD2 . ASP C 3 185 ? -94.704 -88.735 32.775 1.00 134.82 ? 186 ASP C OD2 1 ATOM 4327 N N . PHE C 3 186 ? -96.082 -84.081 30.442 1.00 105.97 ? 187 PHE C N 1 ATOM 4328 C CA . PHE C 3 186 ? -95.810 -82.727 30.940 1.00 100.79 ? 187 PHE C CA 1 ATOM 4329 C C . PHE C 3 186 ? -96.898 -81.771 30.424 1.00 96.51 ? 187 PHE C C 1 ATOM 4330 O O . PHE C 3 186 ? -97.258 -81.815 29.243 1.00 94.17 ? 187 PHE C O 1 ATOM 4331 C CB . PHE C 3 186 ? -94.410 -82.282 30.480 1.00 96.20 ? 187 PHE C CB 1 ATOM 4332 C CG . PHE C 3 186 ? -94.251 -80.785 30.298 1.00 89.45 ? 187 PHE C CG 1 ATOM 4333 C CD1 . PHE C 3 186 ? -94.516 -80.182 29.066 1.00 84.38 ? 187 PHE C CD1 1 ATOM 4334 C CD2 . PHE C 3 186 ? -93.803 -79.987 31.344 1.00 88.53 ? 187 PHE C CD2 1 ATOM 4335 C CE1 . PHE C 3 186 ? -94.361 -78.799 28.890 1.00 79.51 ? 187 PHE C CE1 1 ATOM 4336 C CE2 . PHE C 3 186 ? -93.645 -78.611 31.179 1.00 82.78 ? 187 PHE C CE2 1 ATOM 4337 C CZ . PHE C 3 186 ? -93.918 -78.017 29.947 1.00 78.67 ? 187 PHE C CZ 1 ATOM 4338 N N . ALA C 3 187 ? -97.411 -80.907 31.303 1.00 95.90 ? 188 ALA C N 1 ATOM 4339 C CA . ALA C 3 187 ? -98.576 -80.074 30.976 1.00 93.06 ? 188 ALA C CA 1 ATOM 4340 C C . ALA C 3 187 ? -98.402 -78.591 31.281 1.00 87.94 ? 188 ALA C C 1 ATOM 4341 O O . ALA C 3 187 ? -97.576 -78.199 32.109 1.00 87.59 ? 188 ALA C O 1 ATOM 4342 C CB . ALA C 3 187 ? -99.831 -80.618 31.673 1.00 99.36 ? 188 ALA C CB 1 ATOM 4343 N N . CYS C 3 188 ? -99.207 -77.780 30.603 1.00 84.48 ? 189 CYS C N 1 ATOM 4344 C CA . CYS C 3 188 ? -99.200 -76.335 30.768 1.00 80.40 ? 189 CYS C CA 1 ATOM 4345 C C . CYS C 3 188 ? -99.584 -75.872 32.176 1.00 83.38 ? 189 CYS C C 1 ATOM 4346 O O . CYS C 3 188 ? -98.939 -74.978 32.735 1.00 81.88 ? 189 CYS C O 1 ATOM 4347 C CB . CYS C 3 188 ? -100.121 -75.690 29.740 1.00 77.45 ? 189 CYS C CB 1 ATOM 4348 S SG . CYS C 3 188 ? -99.481 -75.646 28.024 1.00 75.24 ? 189 CYS C SG 1 ATOM 4349 N N . ALA C 3 189 ? -100.625 -76.479 32.746 1.00 88.13 ? 190 ALA C N 1 ATOM 4350 C CA . ALA C 3 189 ? -101.047 -76.158 34.102 1.00 91.87 ? 190 ALA C CA 1 ATOM 4351 C C . ALA C 3 189 ? -99.915 -76.356 35.119 1.00 93.59 ? 190 ALA C C 1 ATOM 4352 O O . ALA C 3 189 ? -99.874 -75.684 36.154 1.00 95.33 ? 190 ALA C O 1 ATOM 4353 C CB . ALA C 3 189 ? -102.278 -76.985 34.490 1.00 98.63 ? 190 ALA C CB 1 ATOM 4354 N N . ASN C 3 190 ? -99.004 -77.280 34.818 1.00 93.49 ? 191 ASN C N 1 ATOM 4355 C CA . ASN C 3 190 ? -97.866 -77.573 35.687 1.00 95.57 ? 191 ASN C CA 1 ATOM 4356 C C . ASN C 3 190 ? -96.644 -76.741 35.310 1.00 89.70 ? 191 ASN C C 1 ATOM 4357 O O . ASN C 3 190 ? -95.733 -76.556 36.124 1.00 91.43 ? 191 ASN C O 1 ATOM 4358 C CB . ASN C 3 190 ? -97.502 -79.064 35.624 1.00 100.13 ? 191 ASN C CB 1 ATOM 4359 C CG . ASN C 3 190 ? -98.714 -79.987 35.777 1.00 106.51 ? 191 ASN C CG 1 ATOM 4360 O OD1 . ASN C 3 190 ? -98.920 -80.883 34.958 1.00 108.46 ? 191 ASN C OD1 1 ATOM 4361 N ND2 . ASN C 3 190 ? -99.510 -79.779 36.826 1.00 110.54 ? 191 ASN C ND2 1 ATOM 4362 N N . ALA C 3 191 ? -96.642 -76.238 34.078 1.00 82.99 ? 192 ALA C N 1 ATOM 4363 C CA . ALA C 3 191 ? -95.458 -75.631 33.475 1.00 77.87 ? 192 ALA C CA 1 ATOM 4364 C C . ALA C 3 191 ? -94.857 -74.516 34.301 1.00 77.15 ? 192 ALA C C 1 ATOM 4365 O O . ALA C 3 191 ? -93.669 -74.536 34.584 1.00 78.14 ? 192 ALA C O 1 ATOM 4366 C CB . ALA C 3 191 ? -95.768 -75.135 32.076 1.00 72.24 ? 192 ALA C CB 1 ATOM 4367 N N . PHE C 3 192 ? -95.679 -73.555 34.701 1.00 76.71 ? 193 PHE C N 1 ATOM 4368 C CA . PHE C 3 192 ? -95.173 -72.370 35.386 1.00 76.26 ? 193 PHE C CA 1 ATOM 4369 C C . PHE C 3 192 ? -95.391 -72.378 36.882 1.00 82.78 ? 193 PHE C C 1 ATOM 4370 O O . PHE C 3 192 ? -95.309 -71.324 37.525 1.00 83.53 ? 193 PHE C O 1 ATOM 4371 C CB . PHE C 3 192 ? -95.769 -71.107 34.774 1.00 71.47 ? 193 PHE C CB 1 ATOM 4372 C CG . PHE C 3 192 ? -95.346 -70.885 33.376 1.00 64.19 ? 193 PHE C CG 1 ATOM 4373 C CD1 . PHE C 3 192 ? -96.145 -71.315 32.320 1.00 60.70 ? 193 PHE C CD1 1 ATOM 4374 C CD2 . PHE C 3 192 ? -94.127 -70.279 33.102 1.00 61.41 ? 193 PHE C CD2 1 ATOM 4375 C CE1 . PHE C 3 192 ? -95.736 -71.123 30.998 1.00 57.65 ? 193 PHE C CE1 1 ATOM 4376 C CE2 . PHE C 3 192 ? -93.706 -70.087 31.787 1.00 57.36 ? 193 PHE C CE2 1 ATOM 4377 C CZ . PHE C 3 192 ? -94.508 -70.514 30.731 1.00 54.64 ? 193 PHE C CZ 1 ATOM 4378 N N . ASN C 3 193 ? -95.659 -73.567 37.427 1.00 88.34 ? 194 ASN C N 1 ATOM 4379 C CA . ASN C 3 193 ? -95.854 -73.769 38.869 1.00 95.78 ? 194 ASN C CA 1 ATOM 4380 C C . ASN C 3 193 ? -94.773 -73.104 39.710 1.00 97.97 ? 194 ASN C C 1 ATOM 4381 O O . ASN C 3 193 ? -95.058 -72.519 40.759 1.00 102.04 ? 194 ASN C O 1 ATOM 4382 C CB . ASN C 3 193 ? -95.885 -75.271 39.207 1.00 101.35 ? 194 ASN C CB 1 ATOM 4383 C CG . ASN C 3 193 ? -97.270 -75.881 39.077 1.00 103.65 ? 194 ASN C CG 1 ATOM 4384 O OD1 . ASN C 3 193 ? -98.212 -75.236 38.609 1.00 100.90 ? 194 ASN C OD1 1 ATOM 4385 N ND2 . ASN C 3 193 ? -97.399 -77.136 39.494 1.00 108.70 ? 194 ASN C ND2 1 ATOM 4386 N N . ASN C 3 194 ? -93.531 -73.210 39.240 1.00 95.90 ? 195 ASN C N 1 ATOM 4387 C CA . ASN C 3 194 ? -92.367 -72.735 39.978 1.00 98.87 ? 195 ASN C CA 1 ATOM 4388 C C . ASN C 3 194 ? -92.248 -71.202 40.092 1.00 96.28 ? 195 ASN C C 1 ATOM 4389 O O . ASN C 3 194 ? -91.479 -70.702 40.915 1.00 100.07 ? 195 ASN C O 1 ATOM 4390 C CB . ASN C 3 194 ? -91.085 -73.368 39.412 1.00 98.13 ? 195 ASN C CB 1 ATOM 4391 C CG . ASN C 3 194 ? -89.931 -73.376 40.419 1.00 104.70 ? 195 ASN C CG 1 ATOM 4392 O OD1 . ASN C 3 194 ? -90.112 -73.641 41.617 1.00 110.38 ? 195 ASN C OD1 1 ATOM 4393 N ND2 . ASN C 3 194 ? -88.732 -73.086 39.926 1.00 103.79 ? 195 ASN C ND2 1 ATOM 4394 N N . SER C 3 195 ? -93.018 -70.466 39.289 1.00 90.60 ? 196 SER C N 1 ATOM 4395 C CA . SER C 3 195 ? -93.048 -68.999 39.365 1.00 88.53 ? 196 SER C CA 1 ATOM 4396 C C . SER C 3 195 ? -94.228 -68.524 40.208 1.00 92.05 ? 196 SER C C 1 ATOM 4397 O O . SER C 3 195 ? -95.267 -69.197 40.267 1.00 93.35 ? 196 SER C O 1 ATOM 4398 C CB . SER C 3 195 ? -93.141 -68.375 37.963 1.00 81.04 ? 196 SER C CB 1 ATOM 4399 O OG . SER C 3 195 ? -92.050 -68.761 37.141 1.00 77.11 ? 196 SER C OG 1 ATOM 4400 N N . ILE C 3 196 ? -94.061 -67.373 40.862 1.00 94.12 ? 197 ILE C N 1 ATOM 4401 C CA . ILE C 3 196 ? -95.198 -66.642 41.430 1.00 96.46 ? 197 ILE C CA 1 ATOM 4402 C C . ILE C 3 196 ? -95.928 -65.948 40.256 1.00 90.39 ? 197 ILE C C 1 ATOM 4403 O O . ILE C 3 196 ? -95.513 -64.873 39.777 1.00 87.67 ? 197 ILE C O 1 ATOM 4404 C CB . ILE C 3 196 ? -94.782 -65.656 42.577 1.00 101.58 ? 197 ILE C CB 1 ATOM 4405 C CG1 . ILE C 3 196 ? -93.998 -66.403 43.676 1.00 108.74 ? 197 ILE C CG1 1 ATOM 4406 C CG2 . ILE C 3 196 ? -96.014 -64.967 43.181 1.00 104.67 ? 197 ILE C CG2 1 ATOM 4407 C CD1 . ILE C 3 196 ? -93.587 -65.561 44.901 1.00 113.97 ? 197 ILE C CD1 1 ATOM 4408 N N . ILE C 3 197 ? -96.969 -66.624 39.757 1.00 88.78 ? 198 ILE C N 1 ATOM 4409 C CA . ILE C 3 197 ? -97.820 -66.119 38.671 1.00 83.35 ? 198 ILE C CA 1 ATOM 4410 C C . ILE C 3 197 ? -99.100 -65.570 39.315 1.00 86.37 ? 198 ILE C C 1 ATOM 4411 O O . ILE C 3 197 ? -99.485 -66.035 40.383 1.00 92.14 ? 198 ILE C O 1 ATOM 4412 C CB . ILE C 3 197 ? -98.132 -67.209 37.577 1.00 79.97 ? 198 ILE C CB 1 ATOM 4413 C CG1 . ILE C 3 197 ? -99.177 -68.233 38.060 1.00 84.93 ? 198 ILE C CG1 1 ATOM 4414 C CG2 . ILE C 3 197 ? -96.859 -67.906 37.125 1.00 77.29 ? 198 ILE C CG2 1 ATOM 4415 C CD1 . ILE C 3 197 ? -99.682 -69.176 36.949 1.00 81.75 ? 198 ILE C CD1 1 ATOM 4416 N N . PRO C 3 198 ? -99.753 -64.578 38.676 1.00 83.02 ? 199 PRO C N 1 ATOM 4417 C CA . PRO C 3 198 ? -100.879 -63.861 39.297 1.00 86.52 ? 199 PRO C CA 1 ATOM 4418 C C . PRO C 3 198 ? -102.034 -64.759 39.734 1.00 90.52 ? 199 PRO C C 1 ATOM 4419 O O . PRO C 3 198 ? -102.261 -65.817 39.147 1.00 89.17 ? 199 PRO C O 1 ATOM 4420 C CB . PRO C 3 198 ? -101.349 -62.923 38.181 1.00 82.09 ? 199 PRO C CB 1 ATOM 4421 C CG . PRO C 3 198 ? -100.153 -62.755 37.299 1.00 76.59 ? 199 PRO C CG 1 ATOM 4422 C CD . PRO C 3 198 ? -99.465 -64.072 37.323 1.00 76.54 ? 199 PRO C CD 1 ATOM 4423 N N . GLU C 3 199 ? -102.754 -64.318 40.756 1.00 96.09 ? 200 GLU C N 1 ATOM 4424 C CA . GLU C 3 199 ? -103.918 -65.031 41.280 1.00 101.45 ? 200 GLU C CA 1 ATOM 4425 C C . GLU C 3 199 ? -104.921 -65.452 40.190 1.00 98.76 ? 200 GLU C C 1 ATOM 4426 O O . GLU C 3 199 ? -105.429 -66.575 40.211 1.00 101.35 ? 200 GLU C O 1 ATOM 4427 C CB . GLU C 3 199 ? -104.617 -64.186 42.350 1.00 107.33 ? 200 GLU C CB 1 ATOM 4428 N N . ASP C 3 200 ? -105.181 -64.564 39.230 1.00 94.09 ? 201 ASP C N 1 ATOM 4429 C CA . ASP C 3 200 ? -106.246 -64.803 38.246 1.00 92.82 ? 201 ASP C CA 1 ATOM 4430 C C . ASP C 3 200 ? -105.825 -65.214 36.822 1.00 86.00 ? 201 ASP C C 1 ATOM 4431 O O . ASP C 3 200 ? -106.541 -64.915 35.864 1.00 83.96 ? 201 ASP C O 1 ATOM 4432 C CB . ASP C 3 200 ? -107.262 -63.637 38.216 1.00 95.09 ? 201 ASP C CB 1 ATOM 4433 C CG . ASP C 3 200 ? -106.625 -62.264 37.918 1.00 91.67 ? 201 ASP C CG 1 ATOM 4434 O OD1 . ASP C 3 200 ? -107.345 -61.257 38.122 1.00 96.44 ? 201 ASP C OD1 1 ATOM 4435 O OD2 . ASP C 3 200 ? -105.447 -62.169 37.505 1.00 85.22 ? 201 ASP C OD2 1 ATOM 4436 N N . THR C 3 201 ? -104.686 -65.899 36.689 1.00 82.79 ? 202 THR C N 1 ATOM 4437 C CA . THR C 3 201 ? -104.227 -66.396 35.384 1.00 77.17 ? 202 THR C CA 1 ATOM 4438 C C . THR C 3 201 ? -105.281 -67.290 34.735 1.00 78.99 ? 202 THR C C 1 ATOM 4439 O O . THR C 3 201 ? -105.874 -68.161 35.394 1.00 83.97 ? 202 THR C O 1 ATOM 4440 C CB . THR C 3 201 ? -102.897 -67.157 35.490 1.00 75.25 ? 202 THR C CB 1 ATOM 4441 O OG1 . THR C 3 201 ? -101.911 -66.298 36.065 1.00 74.87 ? 202 THR C OG1 1 ATOM 4442 C CG2 . THR C 3 201 ? -102.406 -67.610 34.122 1.00 69.07 ? 202 THR C CG2 1 ATOM 4443 N N . PHE C 3 202 ? -105.518 -67.037 33.450 1.00 75.12 ? 203 PHE C N 1 ATOM 4444 C CA . PHE C 3 202 ? -106.495 -67.776 32.671 1.00 76.91 ? 203 PHE C CA 1 ATOM 4445 C C . PHE C 3 202 ? -105.876 -69.058 32.118 1.00 75.58 ? 203 PHE C C 1 ATOM 4446 O O . PHE C 3 202 ? -104.905 -68.999 31.357 1.00 70.43 ? 203 PHE C O 1 ATOM 4447 C CB . PHE C 3 202 ? -107.017 -66.887 31.534 1.00 74.47 ? 203 PHE C CB 1 ATOM 4448 C CG . PHE C 3 202 ? -108.014 -67.563 30.637 1.00 77.28 ? 203 PHE C CG 1 ATOM 4449 C CD1 . PHE C 3 202 ? -109.230 -68.031 31.145 1.00 84.28 ? 203 PHE C CD1 1 ATOM 4450 C CD2 . PHE C 3 202 ? -107.747 -67.727 29.281 1.00 74.28 ? 203 PHE C CD2 1 ATOM 4451 C CE1 . PHE C 3 202 ? -110.157 -68.661 30.310 1.00 87.26 ? 203 PHE C CE1 1 ATOM 4452 C CE2 . PHE C 3 202 ? -108.675 -68.358 28.437 1.00 77.43 ? 203 PHE C CE2 1 ATOM 4453 C CZ . PHE C 3 202 ? -109.872 -68.824 28.951 1.00 82.94 ? 203 PHE C CZ 1 ATOM 4454 N N . PHE C 3 203 ? -106.433 -70.202 32.519 1.00 80.34 ? 204 PHE C N 1 ATOM 4455 C CA . PHE C 3 203 ? -106.012 -71.526 32.037 1.00 80.81 ? 204 PHE C CA 1 ATOM 4456 C C . PHE C 3 203 ? -107.155 -72.212 31.290 1.00 84.63 ? 204 PHE C C 1 ATOM 4457 O O . PHE C 3 203 ? -107.962 -72.930 31.899 1.00 90.42 ? 204 PHE C O 1 ATOM 4458 C CB . PHE C 3 203 ? -105.599 -72.444 33.197 1.00 84.98 ? 204 PHE C CB 1 ATOM 4459 C CG . PHE C 3 203 ? -104.324 -72.046 33.881 1.00 82.24 ? 204 PHE C CG 1 ATOM 4460 C CD1 . PHE C 3 203 ? -104.348 -71.185 34.981 1.00 83.33 ? 204 PHE C CD1 1 ATOM 4461 C CD2 . PHE C 3 203 ? -103.101 -72.556 33.451 1.00 77.63 ? 204 PHE C CD2 1 ATOM 4462 C CE1 . PHE C 3 203 ? -103.168 -70.825 35.629 1.00 81.64 ? 204 PHE C CE1 1 ATOM 4463 C CE2 . PHE C 3 203 ? -101.912 -72.205 34.097 1.00 75.45 ? 204 PHE C CE2 1 ATOM 4464 C CZ . PHE C 3 203 ? -101.942 -71.336 35.181 1.00 77.17 ? 204 PHE C CZ 1 ATOM 4465 N N . PRO C 3 204 ? -107.229 -72.009 29.966 1.00 81.86 ? 205 PRO C N 1 ATOM 4466 C CA . PRO C 3 204 ? -108.289 -72.657 29.182 1.00 86.18 ? 205 PRO C CA 1 ATOM 4467 C C . PRO C 3 204 ? -108.026 -74.152 28.975 1.00 88.95 ? 205 PRO C C 1 ATOM 4468 O O . PRO C 3 204 ? -106.864 -74.578 28.948 1.00 85.96 ? 205 PRO C O 1 ATOM 4469 C CB . PRO C 3 204 ? -108.220 -71.919 27.847 1.00 81.69 ? 205 PRO C CB 1 ATOM 4470 C CG . PRO C 3 204 ? -106.800 -71.506 27.738 1.00 75.52 ? 205 PRO C CG 1 ATOM 4471 C CD . PRO C 3 204 ? -106.331 -71.204 29.124 1.00 75.17 ? 205 PRO C CD 1 ATOM 4472 N N . SER C 3 205 ? -109.090 -74.931 28.820 1.00 95.14 ? 206 SER C N 1 ATOM 4473 C CA . SER C 3 205 ? -108.944 -76.364 28.581 1.00 99.01 ? 206 SER C CA 1 ATOM 4474 C C . SER C 3 205 ? -109.447 -76.780 27.197 1.00 100.44 ? 206 SER C C 1 ATOM 4475 O O . SER C 3 205 ? -110.302 -77.667 27.071 1.00 107.34 ? 206 SER C O 1 ATOM 4476 C CB . SER C 3 205 ? -109.630 -77.174 29.692 1.00 106.62 ? 206 SER C CB 1 ATOM 4477 O OG . SER C 3 205 ? -110.867 -76.593 30.061 1.00 110.78 ? 206 SER C OG 1 ATOM 4478 N N . ALA D 4 3 ? -72.882 -41.006 4.340 1.00 46.78 ? 2 ALA D N 1 ATOM 4479 C CA . ALA D 4 3 ? -71.565 -41.696 4.312 1.00 46.29 ? 2 ALA D CA 1 ATOM 4480 C C . ALA D 4 3 ? -71.687 -43.140 4.839 1.00 45.60 ? 2 ALA D C 1 ATOM 4481 O O . ALA D 4 3 ? -71.861 -43.351 6.045 1.00 46.98 ? 2 ALA D O 1 ATOM 4482 C CB . ALA D 4 3 ? -70.543 -40.909 5.106 1.00 47.04 ? 2 ALA D CB 1 ATOM 4483 N N . ALA D 4 4 ? -71.596 -44.117 3.922 1.00 71.02 ? 3 ALA D N 1 ATOM 4484 C CA . ALA D 4 4 ? -71.920 -45.525 4.191 1.00 67.11 ? 3 ALA D CA 1 ATOM 4485 C C . ALA D 4 4 ? -70.703 -46.469 4.267 1.00 61.91 ? 3 ALA D C 1 ATOM 4486 O O . ALA D 4 4 ? -69.868 -46.516 3.340 1.00 63.08 ? 3 ALA D O 1 ATOM 4487 C CB . ALA D 4 4 ? -72.914 -46.038 3.147 1.00 71.58 ? 3 ALA D CB 1 ATOM 4488 N N . VAL D 4 5 ? -70.647 -47.241 5.356 1.00 54.84 ? 4 VAL D N 1 ATOM 4489 C CA . VAL D 4 5 ? -69.564 -48.160 5.632 1.00 47.75 ? 4 VAL D CA 1 ATOM 4490 C C . VAL D 4 5 ? -70.134 -49.571 5.852 1.00 45.97 ? 4 VAL D C 1 ATOM 4491 O O . VAL D 4 5 ? -71.084 -49.742 6.610 1.00 44.98 ? 4 VAL D O 1 ATOM 4492 C CB . VAL D 4 5 ? -68.801 -47.692 6.884 1.00 45.17 ? 4 VAL D CB 1 ATOM 4493 C CG1 . VAL D 4 5 ? -67.608 -48.581 7.192 1.00 39.73 ? 4 VAL D CG1 1 ATOM 4494 C CG2 . VAL D 4 5 ? -68.381 -46.215 6.741 1.00 45.20 ? 4 VAL D CG2 1 ATOM 4495 N N . THR D 4 6 ? -69.546 -50.571 5.195 1.00 43.65 ? 5 THR D N 1 ATOM 4496 C CA . THR D 4 6 ? -69.990 -51.969 5.317 1.00 42.34 ? 5 THR D CA 1 ATOM 4497 C C . THR D 4 6 ? -68.871 -52.891 5.835 1.00 38.71 ? 5 THR D C 1 ATOM 4498 O O . THR D 4 6 ? -67.697 -52.576 5.721 1.00 37.43 ? 5 THR D O 1 ATOM 4499 C CB . THR D 4 6 ? -70.581 -52.513 3.975 1.00 46.39 ? 5 THR D CB 1 ATOM 4500 O OG1 . THR D 4 6 ? -69.565 -52.528 2.963 1.00 47.95 ? 5 THR D OG1 1 ATOM 4501 C CG2 . THR D 4 6 ? -71.782 -51.643 3.483 1.00 47.76 ? 5 THR D CG2 1 ATOM 4502 N N . GLN D 4 7 ? -69.234 -54.033 6.398 1.00 36.61 ? 6 GLN D N 1 ATOM 4503 C CA . GLN D 4 7 ? -68.258 -54.910 7.000 1.00 33.92 ? 6 GLN D CA 1 ATOM 4504 C C . GLN D 4 7 ? -68.596 -56.314 6.658 1.00 35.76 ? 6 GLN D C 1 ATOM 4505 O O . GLN D 4 7 ? -69.767 -56.701 6.669 1.00 38.49 ? 6 GLN D O 1 ATOM 4506 C CB . GLN D 4 7 ? -68.278 -54.765 8.533 1.00 31.46 ? 6 GLN D CB 1 ATOM 4507 C CG . GLN D 4 7 ? -67.375 -53.683 9.064 1.00 28.59 ? 6 GLN D CG 1 ATOM 4508 C CD . GLN D 4 7 ? -67.470 -53.493 10.580 1.00 27.47 ? 6 GLN D CD 1 ATOM 4509 O OE1 . GLN D 4 7 ? -67.906 -52.451 11.043 1.00 27.47 ? 6 GLN D OE1 1 ATOM 4510 N NE2 . GLN D 4 7 ? -67.033 -54.492 11.348 1.00 28.45 ? 6 GLN D NE2 1 ATOM 4511 N N . SER D 4 8 ? -67.595 -57.117 6.361 1.00 35.52 ? 7 SER D N 1 ATOM 4512 C CA . SER D 4 8 ? -67.863 -58.533 6.240 1.00 36.78 ? 7 SER D CA 1 ATOM 4513 C C . SER D 4 8 ? -66.667 -59.344 6.645 1.00 35.35 ? 7 SER D C 1 ATOM 4514 O O . SER D 4 8 ? -65.533 -58.867 6.510 1.00 34.24 ? 7 SER D O 1 ATOM 4515 C CB . SER D 4 8 ? -68.321 -58.914 4.834 1.00 40.54 ? 7 SER D CB 1 ATOM 4516 O OG . SER D 4 8 ? -67.370 -58.457 3.920 1.00 43.86 ? 7 SER D OG 1 ATOM 4517 N N . PRO D 4 9 ? -66.924 -60.560 7.194 1.00 35.24 ? 8 PRO D N 1 ATOM 4518 C CA . PRO D 4 9 ? -68.291 -61.029 7.500 1.00 35.07 ? 8 PRO D CA 1 ATOM 4519 C C . PRO D 4 9 ? -68.890 -60.243 8.661 1.00 33.38 ? 8 PRO D C 1 ATOM 4520 O O . PRO D 4 9 ? -68.195 -59.494 9.336 1.00 33.18 ? 8 PRO D O 1 ATOM 4521 C CB . PRO D 4 9 ? -68.071 -62.490 7.914 1.00 35.09 ? 8 PRO D CB 1 ATOM 4522 C CG . PRO D 4 9 ? -66.701 -62.490 8.503 1.00 34.23 ? 8 PRO D CG 1 ATOM 4523 C CD . PRO D 4 9 ? -65.907 -61.547 7.599 1.00 34.34 ? 8 PRO D CD 1 ATOM 4524 N N . ARG D 4 10 ? -70.179 -60.385 8.873 1.00 34.46 ? 9 ARG D N 1 ATOM 4525 C CA . ARG D 4 10 ? -70.849 -59.772 10.003 1.00 33.89 ? 9 ARG D CA 1 ATOM 4526 C C . ARG D 4 10 ? -70.738 -60.607 11.278 1.00 32.70 ? 9 ARG D C 1 ATOM 4527 O O . ARG D 4 10 ? -70.921 -60.098 12.401 1.00 31.09 ? 9 ARG D O 1 ATOM 4528 C CB . ARG D 4 10 ? -72.305 -59.552 9.633 1.00 36.49 ? 9 ARG D CB 1 ATOM 4529 C CG . ARG D 4 10 ? -72.390 -58.448 8.564 1.00 42.40 ? 9 ARG D CG 1 ATOM 4530 C CD . ARG D 4 10 ? -72.127 -57.011 9.141 1.00 43.10 ? 9 ARG D CD 1 ATOM 4531 N NE . ARG D 4 10 ? -73.445 -56.377 9.227 1.00 52.53 ? 9 ARG D NE 1 ATOM 4532 C CZ . ARG D 4 10 ? -74.140 -56.229 10.354 1.00 56.41 ? 9 ARG D CZ 1 ATOM 4533 N NH1 . ARG D 4 10 ? -73.615 -56.609 11.537 1.00 55.36 ? 9 ARG D NH1 1 ATOM 4534 N NH2 . ARG D 4 10 ? -75.356 -55.682 10.300 1.00 56.72 ? 9 ARG D NH2 1 ATOM 4535 N N . ASN D 4 11 ? -70.430 -61.884 11.096 1.00 31.85 ? 10 ASN D N 1 ATOM 4536 C CA . ASN D 4 11 ? -70.411 -62.799 12.195 1.00 32.15 ? 10 ASN D CA 1 ATOM 4537 C C . ASN D 4 11 ? -69.553 -63.987 11.782 1.00 31.14 ? 10 ASN D C 1 ATOM 4538 O O . ASN D 4 11 ? -69.664 -64.491 10.676 1.00 32.50 ? 10 ASN D O 1 ATOM 4539 C CB . ASN D 4 11 ? -71.844 -63.216 12.513 1.00 34.77 ? 10 ASN D CB 1 ATOM 4540 C CG . ASN D 4 11 ? -71.990 -63.819 13.894 1.00 37.98 ? 10 ASN D CG 1 ATOM 4541 O OD1 . ASN D 4 11 ? -71.309 -64.816 14.252 1.00 37.94 ? 10 ASN D OD1 1 ATOM 4542 N ND2 . ASN D 4 11 ? -72.917 -63.252 14.677 1.00 37.64 ? 10 ASN D ND2 1 ATOM 4543 N N . LYS D 4 12 ? -68.663 -64.411 12.657 1.00 29.27 ? 11 LYS D N 1 ATOM 4544 C CA . LYS D 4 12 ? -67.681 -65.402 12.284 1.00 29.30 ? 11 LYS D CA 1 ATOM 4545 C C . LYS D 4 12 ? -67.313 -66.249 13.482 1.00 29.25 ? 11 LYS D C 1 ATOM 4546 O O . LYS D 4 12 ? -67.008 -65.706 14.548 1.00 27.35 ? 11 LYS D O 1 ATOM 4547 C CB . LYS D 4 12 ? -66.426 -64.726 11.713 1.00 28.72 ? 11 LYS D CB 1 ATOM 4548 C CG . LYS D 4 12 ? -65.283 -65.676 11.334 1.00 30.32 ? 11 LYS D CG 1 ATOM 4549 C CD . LYS D 4 12 ? -65.687 -66.731 10.299 1.00 33.14 ? 11 LYS D CD 1 ATOM 4550 C CE . LYS D 4 12 ? -64.484 -67.031 9.394 1.00 37.49 ? 11 LYS D CE 1 ATOM 4551 N NZ . LYS D 4 12 ? -64.608 -68.328 8.661 1.00 40.67 ? 11 LYS D NZ 1 ATOM 4552 N N . VAL D 4 13 ? -67.421 -67.567 13.291 1.00 30.15 ? 12 VAL D N 1 ATOM 4553 C CA . VAL D 4 13 ? -66.877 -68.553 14.193 1.00 31.17 ? 12 VAL D CA 1 ATOM 4554 C C . VAL D 4 13 ? -65.578 -69.130 13.564 1.00 31.94 ? 12 VAL D C 1 ATOM 4555 O O . VAL D 4 13 ? -65.569 -69.563 12.410 1.00 32.60 ? 12 VAL D O 1 ATOM 4556 C CB . VAL D 4 13 ? -67.920 -69.688 14.499 1.00 33.29 ? 12 VAL D CB 1 ATOM 4557 C CG1 . VAL D 4 13 ? -67.327 -70.758 15.416 1.00 32.94 ? 12 VAL D CG1 1 ATOM 4558 C CG2 . VAL D 4 13 ? -69.215 -69.114 15.118 1.00 31.31 ? 12 VAL D CG2 1 ATOM 4559 N N . ALA D 4 14 ? -64.494 -69.116 14.339 1.00 31.75 ? 13 ALA D N 1 ATOM 4560 C CA . ALA D 4 14 ? -63.157 -69.504 13.884 1.00 32.05 ? 13 ALA D CA 1 ATOM 4561 C C . ALA D 4 14 ? -62.459 -70.391 14.921 1.00 33.25 ? 13 ALA D C 1 ATOM 4562 O O . ALA D 4 14 ? -62.865 -70.425 16.068 1.00 33.00 ? 13 ALA D O 1 ATOM 4563 C CB . ALA D 4 14 ? -62.341 -68.255 13.637 1.00 31.61 ? 13 ALA D CB 1 ATOM 4564 N N . VAL D 4 15 ? -61.410 -71.109 14.513 1.00 35.22 ? 14 VAL D N 1 ATOM 4565 C CA . VAL D 4 15 ? -60.669 -72.014 15.410 1.00 36.50 ? 14 VAL D CA 1 ATOM 4566 C C . VAL D 4 15 ? -59.305 -71.408 15.707 1.00 37.10 ? 14 VAL D C 1 ATOM 4567 O O . VAL D 4 15 ? -58.751 -70.702 14.870 1.00 37.12 ? 14 VAL D O 1 ATOM 4568 C CB . VAL D 4 15 ? -60.508 -73.431 14.796 1.00 38.56 ? 14 VAL D CB 1 ATOM 4569 C CG1 . VAL D 4 15 ? -59.430 -73.457 13.666 1.00 39.07 ? 14 VAL D CG1 1 ATOM 4570 C CG2 . VAL D 4 15 ? -60.173 -74.492 15.880 1.00 39.54 ? 14 VAL D CG2 1 ATOM 4571 N N . THR D 4 16 ? -58.773 -71.664 16.896 1.00 38.75 ? 15 THR D N 1 ATOM 4572 C CA . THR D 4 16 ? -57.412 -71.203 17.276 1.00 40.51 ? 15 THR D CA 1 ATOM 4573 C C . THR D 4 16 ? -56.370 -71.586 16.236 1.00 41.74 ? 15 THR D C 1 ATOM 4574 O O . THR D 4 16 ? -56.300 -72.732 15.814 1.00 43.92 ? 15 THR D O 1 ATOM 4575 C CB . THR D 4 16 ? -56.973 -71.801 18.628 1.00 42.89 ? 15 THR D CB 1 ATOM 4576 O OG1 . THR D 4 16 ? -57.826 -71.276 19.646 1.00 44.41 ? 15 THR D OG1 1 ATOM 4577 C CG2 . THR D 4 16 ? -55.530 -71.432 18.953 1.00 43.69 ? 15 THR D CG2 1 ATOM 4578 N N . GLY D 4 17 ? -55.588 -70.615 15.809 1.00 41.48 ? 16 GLY D N 1 ATOM 4579 C CA . GLY D 4 17 ? -54.539 -70.858 14.828 1.00 44.35 ? 16 GLY D CA 1 ATOM 4580 C C . GLY D 4 17 ? -54.967 -70.739 13.371 1.00 44.12 ? 16 GLY D C 1 ATOM 4581 O O . GLY D 4 17 ? -54.147 -70.912 12.488 1.00 46.92 ? 16 GLY D O 1 ATOM 4582 N N . GLY D 4 18 ? -56.246 -70.480 13.116 1.00 42.32 ? 17 GLY D N 1 ATOM 4583 C CA . GLY D 4 18 ? -56.721 -70.211 11.757 1.00 43.32 ? 17 GLY D CA 1 ATOM 4584 C C . GLY D 4 18 ? -56.468 -68.752 11.347 1.00 42.94 ? 17 GLY D C 1 ATOM 4585 O O . GLY D 4 18 ? -56.241 -67.875 12.192 1.00 41.16 ? 17 GLY D O 1 ATOM 4586 N N . LYS D 4 19 ? -56.480 -68.505 10.043 1.00 43.95 ? 18 LYS D N 1 ATOM 4587 C CA . LYS D 4 19 ? -56.346 -67.183 9.522 1.00 43.48 ? 18 LYS D CA 1 ATOM 4588 C C . LYS D 4 19 ? -57.755 -66.656 9.444 1.00 40.73 ? 18 LYS D C 1 ATOM 4589 O O . LYS D 4 19 ? -58.628 -67.356 8.983 1.00 40.90 ? 18 LYS D O 1 ATOM 4590 C CB . LYS D 4 19 ? -55.716 -67.220 8.136 1.00 46.57 ? 18 LYS D CB 1 ATOM 4591 C CG . LYS D 4 19 ? -55.402 -65.827 7.576 1.00 49.66 ? 18 LYS D CG 1 ATOM 4592 C CD . LYS D 4 19 ? -54.907 -65.951 6.138 1.00 56.29 ? 18 LYS D CD 1 ATOM 4593 C CE . LYS D 4 19 ? -54.337 -64.642 5.624 1.00 58.78 ? 18 LYS D CE 1 ATOM 4594 N NZ . LYS D 4 19 ? -53.468 -65.008 4.466 1.00 63.46 ? 18 LYS D NZ 1 ATOM 4595 N N . VAL D 4 20 ? -57.969 -65.430 9.918 1.00 37.92 ? 19 VAL D N 1 ATOM 4596 C CA . VAL D 4 20 ? -59.245 -64.758 9.778 1.00 35.77 ? 19 VAL D CA 1 ATOM 4597 C C . VAL D 4 20 ? -59.007 -63.363 9.184 1.00 35.45 ? 19 VAL D C 1 ATOM 4598 O O . VAL D 4 20 ? -58.134 -62.611 9.643 1.00 34.21 ? 19 VAL D O 1 ATOM 4599 C CB . VAL D 4 20 ? -59.985 -64.664 11.153 1.00 34.53 ? 19 VAL D CB 1 ATOM 4600 C CG1 . VAL D 4 20 ? -61.203 -63.797 11.059 1.00 31.10 ? 19 VAL D CG1 1 ATOM 4601 C CG2 . VAL D 4 20 ? -60.367 -66.063 11.653 1.00 35.79 ? 19 VAL D CG2 1 ATOM 4602 N N . THR D 4 21 ? -59.798 -63.018 8.171 1.00 35.95 ? 20 THR D N 1 ATOM 4603 C CA . THR D 4 21 ? -59.739 -61.703 7.562 1.00 35.83 ? 20 THR D CA 1 ATOM 4604 C C . THR D 4 21 ? -61.078 -61.011 7.750 1.00 34.69 ? 20 THR D C 1 ATOM 4605 O O . THR D 4 21 ? -62.109 -61.578 7.414 1.00 35.41 ? 20 THR D O 1 ATOM 4606 C CB . THR D 4 21 ? -59.415 -61.784 6.049 1.00 38.61 ? 20 THR D CB 1 ATOM 4607 O OG1 . THR D 4 21 ? -58.277 -62.641 5.844 1.00 41.31 ? 20 THR D OG1 1 ATOM 4608 C CG2 . THR D 4 21 ? -59.173 -60.381 5.445 1.00 37.08 ? 20 THR D CG2 1 ATOM 4609 N N . LEU D 4 22 ? -61.046 -59.774 8.244 1.00 32.69 ? 21 LEU D N 1 ATOM 4610 C CA . LEU D 4 22 ? -62.245 -58.993 8.385 1.00 31.98 ? 21 LEU D CA 1 ATOM 4611 C C . LEU D 4 22 ? -62.111 -57.790 7.470 1.00 33.23 ? 21 LEU D C 1 ATOM 4612 O O . LEU D 4 22 ? -61.160 -57.023 7.595 1.00 33.12 ? 21 LEU D O 1 ATOM 4613 C CB . LEU D 4 22 ? -62.417 -58.523 9.843 1.00 30.16 ? 21 LEU D CB 1 ATOM 4614 C CG . LEU D 4 22 ? -62.377 -59.546 10.979 1.00 28.90 ? 21 LEU D CG 1 ATOM 4615 C CD1 . LEU D 4 22 ? -62.673 -58.826 12.299 1.00 26.34 ? 21 LEU D CD1 1 ATOM 4616 C CD2 . LEU D 4 22 ? -63.371 -60.734 10.732 1.00 27.94 ? 21 LEU D CD2 1 ATOM 4617 N N . SER D 4 23 ? -63.071 -57.622 6.563 1.00 34.66 ? 22 SER D N 1 ATOM 4618 C CA . SER D 4 23 ? -63.014 -56.562 5.592 1.00 36.57 ? 22 SER D CA 1 ATOM 4619 C C . SER D 4 23 ? -63.975 -55.443 5.892 1.00 35.65 ? 22 SER D C 1 ATOM 4620 O O . SER D 4 23 ? -65.102 -55.661 6.379 1.00 35.19 ? 22 SER D O 1 ATOM 4621 C CB . SER D 4 23 ? -63.357 -57.061 4.209 1.00 39.41 ? 22 SER D CB 1 ATOM 4622 O OG . SER D 4 23 ? -62.590 -58.198 3.910 1.00 45.24 ? 22 SER D OG 1 ATOM 4623 N N . CYS D 4 24 ? -63.530 -54.250 5.513 1.00 35.48 ? 23 CYS D N 1 ATOM 4624 C CA . CYS D 4 24 ? -64.341 -53.079 5.561 1.00 35.28 ? 23 CYS D CA 1 ATOM 4625 C C . CYS D 4 24 ? -64.304 -52.346 4.220 1.00 36.92 ? 23 CYS D C 1 ATOM 4626 O O . CYS D 4 24 ? -63.241 -52.053 3.714 1.00 38.19 ? 23 CYS D O 1 ATOM 4627 C CB . CYS D 4 24 ? -63.808 -52.216 6.678 1.00 32.95 ? 23 CYS D CB 1 ATOM 4628 S SG . CYS D 4 24 ? -64.557 -50.623 6.789 1.00 36.70 ? 23 CYS D SG 1 ATOM 4629 N N . ASN D 4 25 ? -65.467 -52.054 3.655 1.00 38.49 ? 24 ASN D N 1 ATOM 4630 C CA . ASN D 4 25 ? -65.600 -51.271 2.415 1.00 41.44 ? 24 ASN D CA 1 ATOM 4631 C C . ASN D 4 25 ? -66.367 -49.958 2.654 1.00 40.76 ? 24 ASN D C 1 ATOM 4632 O O . ASN D 4 25 ? -67.417 -49.973 3.317 1.00 39.32 ? 24 ASN D O 1 ATOM 4633 C CB . ASN D 4 25 ? -66.286 -52.103 1.306 1.00 44.48 ? 24 ASN D CB 1 ATOM 4634 C CG . ASN D 4 25 ? -66.845 -51.221 0.117 1.00 51.66 ? 24 ASN D CG 1 ATOM 4635 O OD1 . ASN D 4 25 ? -67.694 -50.334 0.303 1.00 55.60 ? 24 ASN D OD1 1 ATOM 4636 N ND2 . ASN D 4 25 ? -66.383 -51.503 -1.093 1.00 56.02 ? 24 ASN D ND2 1 ATOM 4637 N N . GLN D 4 26 ? -65.840 -48.851 2.118 1.00 41.31 ? 25 GLN D N 1 ATOM 4638 C CA . GLN D 4 26 ? -66.559 -47.550 2.049 1.00 42.99 ? 25 GLN D CA 1 ATOM 4639 C C . GLN D 4 26 ? -66.460 -46.828 0.701 1.00 46.79 ? 25 GLN D C 1 ATOM 4640 O O . GLN D 4 26 ? -65.386 -46.762 0.089 1.00 48.40 ? 25 GLN D O 1 ATOM 4641 C CB . GLN D 4 26 ? -66.154 -46.602 3.164 1.00 39.82 ? 25 GLN D CB 1 ATOM 4642 C CG . GLN D 4 26 ? -64.667 -46.254 3.219 1.00 39.65 ? 25 GLN D CG 1 ATOM 4643 C CD . GLN D 4 26 ? -64.219 -45.116 2.300 1.00 39.92 ? 25 GLN D CD 1 ATOM 4644 O OE1 . GLN D 4 26 ? -65.018 -44.273 1.843 1.00 39.86 ? 25 GLN D OE1 1 ATOM 4645 N NE2 . GLN D 4 26 ? -62.909 -45.062 2.065 1.00 40.28 ? 25 GLN D NE2 1 ATOM 4646 N N . THR D 4 27 ? -67.576 -46.265 0.252 1.00 49.44 ? 26 THR D N 1 ATOM 4647 C CA . THR D 4 27 ? -67.626 -45.619 -1.058 1.00 53.97 ? 26 THR D CA 1 ATOM 4648 C C . THR D 4 27 ? -67.653 -44.100 -0.981 1.00 54.74 ? 26 THR D C 1 ATOM 4649 O O . THR D 4 27 ? -68.082 -43.448 -1.930 1.00 58.32 ? 26 THR D O 1 ATOM 4650 C CB . THR D 4 27 ? -68.861 -46.072 -1.844 1.00 57.79 ? 26 THR D CB 1 ATOM 4651 O OG1 . THR D 4 27 ? -69.998 -46.021 -0.978 1.00 57.64 ? 26 THR D OG1 1 ATOM 4652 C CG2 . THR D 4 27 ? -68.685 -47.496 -2.367 1.00 58.36 ? 26 THR D CG2 1 ATOM 4653 N N . ASN D 4 28 ? -67.165 -43.550 0.130 1.00 51.61 ? 27 ASN D N 1 ATOM 4654 C CA . ASN D 4 28 ? -67.314 -42.127 0.443 1.00 52.48 ? 27 ASN D CA 1 ATOM 4655 C C . ASN D 4 28 ? -66.152 -41.345 -0.081 1.00 53.05 ? 27 ASN D C 1 ATOM 4656 O O . ASN D 4 28 ? -66.086 -40.132 0.091 1.00 53.76 ? 27 ASN D O 1 ATOM 4657 C CB . ASN D 4 28 ? -67.339 -41.932 1.966 1.00 49.04 ? 27 ASN D CB 1 ATOM 4658 C CG . ASN D 4 28 ? -68.452 -42.686 2.625 1.00 49.28 ? 27 ASN D CG 1 ATOM 4659 O OD1 . ASN D 4 28 ? -69.605 -42.549 2.225 1.00 53.91 ? 27 ASN D OD1 1 ATOM 4660 N ND2 . ASN D 4 28 ? -68.125 -43.486 3.649 1.00 46.73 ? 27 ASN D ND2 1 ATOM 4661 N N . ASN D 4 29 ? -65.213 -42.064 -0.680 1.00 54.01 ? 28 ASN D N 1 ATOM 4662 C CA . ASN D 4 29 ? -63.901 -41.531 -1.044 1.00 54.94 ? 28 ASN D CA 1 ATOM 4663 C C . ASN D 4 29 ? -63.140 -40.932 0.157 1.00 50.86 ? 28 ASN D C 1 ATOM 4664 O O . ASN D 4 29 ? -62.378 -39.964 0.029 1.00 51.92 ? 28 ASN D O 1 ATOM 4665 C CB . ASN D 4 29 ? -63.975 -40.549 -2.231 1.00 59.35 ? 28 ASN D CB 1 ATOM 4666 C CG . ASN D 4 29 ? -62.635 -40.409 -2.945 1.00 63.08 ? 28 ASN D CG 1 ATOM 4667 O OD1 . ASN D 4 29 ? -61.883 -41.387 -3.067 1.00 63.64 ? 28 ASN D OD1 1 ATOM 4668 N ND2 . ASN D 4 29 ? -62.321 -39.196 -3.405 1.00 65.41 ? 28 ASN D ND2 1 ATOM 4669 N N . HIS D 4 30 ? -63.346 -41.530 1.319 1.00 46.78 ? 29 HIS D N 1 ATOM 4670 C CA . HIS D 4 30 ? -62.628 -41.132 2.525 1.00 42.65 ? 29 HIS D CA 1 ATOM 4671 C C . HIS D 4 30 ? -61.203 -41.677 2.527 1.00 41.56 ? 29 HIS D C 1 ATOM 4672 O O . HIS D 4 30 ? -60.974 -42.874 2.275 1.00 42.18 ? 29 HIS D O 1 ATOM 4673 C CB . HIS D 4 30 ? -63.395 -41.589 3.763 1.00 39.41 ? 29 HIS D CB 1 ATOM 4674 C CG . HIS D 4 30 ? -64.617 -40.769 4.034 1.00 39.94 ? 29 HIS D CG 1 ATOM 4675 N ND1 . HIS D 4 30 ? -65.535 -41.096 5.009 1.00 36.15 ? 29 HIS D ND1 1 ATOM 4676 C CD2 . HIS D 4 30 ? -65.070 -39.624 3.459 1.00 42.61 ? 29 HIS D CD2 1 ATOM 4677 C CE1 . HIS D 4 30 ? -66.506 -40.197 5.018 1.00 40.39 ? 29 HIS D CE1 1 ATOM 4678 N NE2 . HIS D 4 30 ? -66.244 -39.286 4.095 1.00 42.85 ? 29 HIS D NE2 1 ATOM 4679 N N . ASN D 4 31 ? -60.258 -40.786 2.797 1.00 40.57 ? 30 ASN D N 1 ATOM 4680 C CA . ASN D 4 31 ? -58.840 -41.119 2.859 1.00 39.94 ? 30 ASN D CA 1 ATOM 4681 C C . ASN D 4 31 ? -58.567 -42.038 4.035 1.00 36.67 ? 30 ASN D C 1 ATOM 4682 O O . ASN D 4 31 ? -57.715 -42.938 3.942 1.00 37.39 ? 30 ASN D O 1 ATOM 4683 C CB . ASN D 4 31 ? -57.959 -39.853 2.998 1.00 39.73 ? 30 ASN D CB 1 ATOM 4684 C CG . ASN D 4 31 ? -57.474 -39.292 1.643 1.00 44.69 ? 30 ASN D CG 1 ATOM 4685 O OD1 . ASN D 4 31 ? -57.870 -39.762 0.564 1.00 44.34 ? 30 ASN D OD1 1 ATOM 4686 N ND2 . ASN D 4 31 ? -56.612 -38.263 1.710 1.00 43.37 ? 30 ASN D ND2 1 ATOM 4687 N N . ASN D 4 32 ? -59.302 -41.827 5.124 1.00 32.97 ? 31 ASN D N 1 ATOM 4688 C CA . ASN D 4 32 ? -58.911 -42.390 6.420 1.00 30.24 ? 31 ASN D CA 1 ATOM 4689 C C . ASN D 4 32 ? -59.771 -43.543 6.901 1.00 28.11 ? 31 ASN D C 1 ATOM 4690 O O . ASN D 4 32 ? -61.007 -43.437 6.890 1.00 28.20 ? 31 ASN D O 1 ATOM 4691 C CB . ASN D 4 32 ? -58.922 -41.269 7.466 1.00 28.05 ? 31 ASN D CB 1 ATOM 4692 C CG . ASN D 4 32 ? -58.118 -40.063 7.010 1.00 31.51 ? 31 ASN D CG 1 ATOM 4693 O OD1 . ASN D 4 32 ? -57.044 -40.224 6.442 1.00 31.38 ? 31 ASN D OD1 1 ATOM 4694 N ND2 . ASN D 4 32 ? -58.645 -38.855 7.221 1.00 32.64 ? 31 ASN D ND2 1 ATOM 4695 N N . MET D 4 33 ? -59.134 -44.601 7.402 1.00 26.17 ? 32 MET D N 1 ATOM 4696 C CA . MET D 4 33 ? -59.906 -45.748 7.916 1.00 25.65 ? 32 MET D CA 1 ATOM 4697 C C . MET D 4 33 ? -59.330 -46.339 9.197 1.00 24.44 ? 32 MET D C 1 ATOM 4698 O O . MET D 4 33 ? -58.139 -46.267 9.418 1.00 25.82 ? 32 MET D O 1 ATOM 4699 C CB . MET D 4 33 ? -60.096 -46.799 6.827 1.00 26.09 ? 32 MET D CB 1 ATOM 4700 C CG . MET D 4 33 ? -60.835 -46.249 5.578 1.00 27.25 ? 32 MET D CG 1 ATOM 4701 S SD . MET D 4 33 ? -61.097 -47.469 4.278 1.00 32.96 ? 32 MET D SD 1 ATOM 4702 C CE . MET D 4 33 ? -62.419 -48.476 4.984 1.00 27.18 ? 32 MET D CE 1 ATOM 4703 N N . TYR D 4 34 ? -60.181 -46.885 10.045 1.00 22.98 ? 33 TYR D N 1 ATOM 4704 C CA . TYR D 4 34 ? -59.794 -47.208 11.396 1.00 22.99 ? 33 TYR D CA 1 ATOM 4705 C C . TYR D 4 34 ? -60.448 -48.506 11.806 1.00 23.95 ? 33 TYR D C 1 ATOM 4706 O O . TYR D 4 34 ? -61.650 -48.707 11.509 1.00 25.00 ? 33 TYR D O 1 ATOM 4707 C CB . TYR D 4 34 ? -60.307 -46.136 12.355 1.00 22.80 ? 33 TYR D CB 1 ATOM 4708 C CG . TYR D 4 34 ? -59.963 -44.735 11.962 1.00 22.88 ? 33 TYR D CG 1 ATOM 4709 C CD1 . TYR D 4 34 ? -60.757 -44.031 11.076 1.00 26.03 ? 33 TYR D CD1 1 ATOM 4710 C CD2 . TYR D 4 34 ? -58.827 -44.113 12.477 1.00 25.68 ? 33 TYR D CD2 1 ATOM 4711 C CE1 . TYR D 4 34 ? -60.420 -42.726 10.685 1.00 24.92 ? 33 TYR D CE1 1 ATOM 4712 C CE2 . TYR D 4 34 ? -58.482 -42.836 12.120 1.00 25.71 ? 33 TYR D CE2 1 ATOM 4713 C CZ . TYR D 4 34 ? -59.284 -42.139 11.216 1.00 27.03 ? 33 TYR D CZ 1 ATOM 4714 O OH . TYR D 4 34 ? -58.943 -40.849 10.873 1.00 25.92 ? 33 TYR D OH 1 ATOM 4715 N N . TRP D 4 35 ? -59.706 -49.347 12.541 1.00 22.98 ? 34 TRP D N 1 ATOM 4716 C CA . TRP D 4 35 ? -60.272 -50.574 13.076 1.00 22.39 ? 34 TRP D CA 1 ATOM 4717 C C . TRP D 4 35 ? -60.207 -50.556 14.580 1.00 21.13 ? 34 TRP D C 1 ATOM 4718 O O . TRP D 4 35 ? -59.146 -50.360 15.124 1.00 22.20 ? 34 TRP D O 1 ATOM 4719 C CB . TRP D 4 35 ? -59.533 -51.819 12.570 1.00 21.99 ? 34 TRP D CB 1 ATOM 4720 C CG . TRP D 4 35 ? -60.037 -52.374 11.295 1.00 23.13 ? 34 TRP D CG 1 ATOM 4721 C CD1 . TRP D 4 35 ? -59.413 -52.324 10.069 1.00 24.24 ? 34 TRP D CD1 1 ATOM 4722 C CD2 . TRP D 4 35 ? -61.237 -53.129 11.099 1.00 21.61 ? 34 TRP D CD2 1 ATOM 4723 N NE1 . TRP D 4 35 ? -60.176 -52.973 9.122 1.00 25.77 ? 34 TRP D NE1 1 ATOM 4724 C CE2 . TRP D 4 35 ? -61.290 -53.489 9.734 1.00 22.63 ? 34 TRP D CE2 1 ATOM 4725 C CE3 . TRP D 4 35 ? -62.264 -53.567 11.952 1.00 23.14 ? 34 TRP D CE3 1 ATOM 4726 C CZ2 . TRP D 4 35 ? -62.347 -54.236 9.196 1.00 24.82 ? 34 TRP D CZ2 1 ATOM 4727 C CZ3 . TRP D 4 35 ? -63.321 -54.308 11.416 1.00 22.12 ? 34 TRP D CZ3 1 ATOM 4728 C CH2 . TRP D 4 35 ? -63.364 -54.612 10.042 1.00 22.83 ? 34 TRP D CH2 1 ATOM 4729 N N . TYR D 4 36 ? -61.342 -50.844 15.216 1.00 20.09 ? 35 TYR D N 1 ATOM 4730 C CA . TYR D 4 36 ? -61.493 -50.929 16.633 1.00 20.32 ? 35 TYR D CA 1 ATOM 4731 C C . TYR D 4 36 ? -62.064 -52.295 17.091 1.00 21.41 ? 35 TYR D C 1 ATOM 4732 O O . TYR D 4 36 ? -62.736 -53.012 16.334 1.00 21.65 ? 35 TYR D O 1 ATOM 4733 C CB . TYR D 4 36 ? -62.487 -49.880 17.113 1.00 20.87 ? 35 TYR D CB 1 ATOM 4734 C CG . TYR D 4 36 ? -62.154 -48.407 16.845 1.00 20.91 ? 35 TYR D CG 1 ATOM 4735 C CD1 . TYR D 4 36 ? -62.530 -47.810 15.659 1.00 18.45 ? 35 TYR D CD1 1 ATOM 4736 C CD2 . TYR D 4 36 ? -61.555 -47.613 17.813 1.00 20.63 ? 35 TYR D CD2 1 ATOM 4737 C CE1 . TYR D 4 36 ? -62.259 -46.502 15.394 1.00 21.07 ? 35 TYR D CE1 1 ATOM 4738 C CE2 . TYR D 4 36 ? -61.285 -46.258 17.557 1.00 20.86 ? 35 TYR D CE2 1 ATOM 4739 C CZ . TYR D 4 36 ? -61.652 -45.722 16.346 1.00 20.83 ? 35 TYR D CZ 1 ATOM 4740 O OH . TYR D 4 36 ? -61.457 -44.388 16.061 1.00 23.39 ? 35 TYR D OH 1 ATOM 4741 N N . ARG D 4 37 ? -61.797 -52.640 18.341 1.00 20.88 ? 36 ARG D N 1 ATOM 4742 C CA . ARG D 4 37 ? -62.519 -53.712 18.960 1.00 21.29 ? 36 ARG D CA 1 ATOM 4743 C C . ARG D 4 37 ? -63.142 -53.212 20.230 1.00 21.86 ? 36 ARG D C 1 ATOM 4744 O O . ARG D 4 37 ? -62.586 -52.342 20.925 1.00 21.35 ? 36 ARG D O 1 ATOM 4745 C CB . ARG D 4 37 ? -61.625 -54.937 19.219 1.00 22.13 ? 36 ARG D CB 1 ATOM 4746 C CG . ARG D 4 37 ? -60.498 -54.715 20.152 1.00 23.16 ? 36 ARG D CG 1 ATOM 4747 C CD . ARG D 4 37 ? -59.752 -56.069 20.401 1.00 28.10 ? 36 ARG D CD 1 ATOM 4748 N NE . ARG D 4 37 ? -60.418 -56.931 21.364 1.00 26.95 ? 36 ARG D NE 1 ATOM 4749 C CZ . ARG D 4 37 ? -59.987 -58.148 21.719 1.00 30.13 ? 36 ARG D CZ 1 ATOM 4750 N NH1 . ARG D 4 37 ? -58.868 -58.673 21.189 1.00 27.25 ? 36 ARG D NH1 1 ATOM 4751 N NH2 . ARG D 4 37 ? -60.667 -58.845 22.629 1.00 28.06 ? 36 ARG D NH2 1 ATOM 4752 N N . GLN D 4 38 ? -64.314 -53.757 20.501 1.00 22.79 ? 37 GLN D N 1 ATOM 4753 C CA . GLN D 4 38 ? -65.092 -53.450 21.677 1.00 25.06 ? 37 GLN D CA 1 ATOM 4754 C C . GLN D 4 38 ? -65.310 -54.723 22.505 1.00 28.28 ? 37 GLN D C 1 ATOM 4755 O O . GLN D 4 38 ? -65.931 -55.652 22.032 1.00 28.46 ? 37 GLN D O 1 ATOM 4756 C CB . GLN D 4 38 ? -66.454 -52.901 21.264 1.00 23.29 ? 37 GLN D CB 1 ATOM 4757 C CG . GLN D 4 38 ? -67.396 -52.681 22.467 1.00 25.87 ? 37 GLN D CG 1 ATOM 4758 C CD . GLN D 4 38 ? -68.823 -52.326 22.035 1.00 28.19 ? 37 GLN D CD 1 ATOM 4759 O OE1 . GLN D 4 38 ? -69.437 -53.042 21.235 1.00 28.03 ? 37 GLN D OE1 1 ATOM 4760 N NE2 . GLN D 4 38 ? -69.344 -51.211 22.545 1.00 25.43 ? 37 GLN D NE2 1 ATOM 4761 N N . ASP D 4 39 ? -64.827 -54.740 23.738 1.00 31.80 ? 38 ASP D N 1 ATOM 4762 C CA . ASP D 4 39 ? -65.111 -55.825 24.665 1.00 36.07 ? 38 ASP D CA 1 ATOM 4763 C C . ASP D 4 39 ? -65.838 -55.297 25.877 1.00 38.93 ? 38 ASP D C 1 ATOM 4764 O O . ASP D 4 39 ? -65.634 -54.154 26.303 1.00 39.08 ? 38 ASP D O 1 ATOM 4765 C CB . ASP D 4 39 ? -63.816 -56.510 25.122 1.00 37.24 ? 38 ASP D CB 1 ATOM 4766 C CG . ASP D 4 39 ? -62.960 -56.944 23.943 1.00 38.71 ? 38 ASP D CG 1 ATOM 4767 O OD1 . ASP D 4 39 ? -63.157 -58.090 23.449 1.00 38.40 ? 38 ASP D OD1 1 ATOM 4768 O OD2 . ASP D 4 39 ? -62.141 -56.105 23.473 1.00 41.44 ? 38 ASP D OD2 1 ATOM 4769 N N . THR D 4 40 ? -66.677 -56.143 26.458 1.00 42.65 ? 39 THR D N 1 ATOM 4770 C CA . THR D 4 40 ? -67.375 -55.769 27.692 1.00 47.04 ? 39 THR D CA 1 ATOM 4771 C C . THR D 4 40 ? -66.444 -55.096 28.730 1.00 48.62 ? 39 THR D C 1 ATOM 4772 O O . THR D 4 40 ? -65.273 -55.471 28.896 1.00 48.53 ? 39 THR D O 1 ATOM 4773 C CB . THR D 4 40 ? -68.025 -56.991 28.331 1.00 50.19 ? 39 THR D CB 1 ATOM 4774 O OG1 . THR D 4 40 ? -67.053 -57.627 29.167 1.00 53.31 ? 39 THR D OG1 1 ATOM 4775 C CG2 . THR D 4 40 ? -68.534 -57.984 27.245 1.00 49.73 ? 39 THR D CG2 1 ATOM 4776 N N . GLY D 4 41 ? -66.964 -54.092 29.427 1.00 50.66 ? 40 GLY D N 1 ATOM 4777 C CA . GLY D 4 41 ? -66.166 -53.401 30.427 1.00 52.64 ? 40 GLY D CA 1 ATOM 4778 C C . GLY D 4 41 ? -65.213 -52.344 29.878 1.00 50.36 ? 40 GLY D C 1 ATOM 4779 O O . GLY D 4 41 ? -64.600 -51.600 30.654 1.00 52.02 ? 40 GLY D O 1 ATOM 4780 N N . HIS D 4 42 ? -65.097 -52.256 28.554 1.00 46.39 ? 41 HIS D N 1 ATOM 4781 C CA . HIS D 4 42 ? -64.102 -51.374 27.934 1.00 44.58 ? 41 HIS D CA 1 ATOM 4782 C C . HIS D 4 42 ? -64.724 -50.450 26.907 1.00 40.87 ? 41 HIS D C 1 ATOM 4783 O O . HIS D 4 42 ? -65.718 -50.807 26.278 1.00 39.52 ? 41 HIS D O 1 ATOM 4784 C CB . HIS D 4 42 ? -63.033 -52.223 27.229 1.00 43.96 ? 41 HIS D CB 1 ATOM 4785 C CG . HIS D 4 42 ? -61.971 -52.721 28.149 1.00 51.40 ? 41 HIS D CG 1 ATOM 4786 N ND1 . HIS D 4 42 ? -61.983 -53.995 28.680 1.00 56.41 ? 41 HIS D ND1 1 ATOM 4787 C CD2 . HIS D 4 42 ? -60.888 -52.097 28.675 1.00 56.24 ? 41 HIS D CD2 1 ATOM 4788 C CE1 . HIS D 4 42 ? -60.944 -54.138 29.484 1.00 60.51 ? 41 HIS D CE1 1 ATOM 4789 N NE2 . HIS D 4 42 ? -60.265 -53.002 29.500 1.00 60.15 ? 41 HIS D NE2 1 ATOM 4790 N N . GLY D 4 43 ? -64.116 -49.289 26.700 1.00 38.71 ? 42 GLY D N 1 ATOM 4791 C CA . GLY D 4 43 ? -64.470 -48.462 25.569 1.00 35.30 ? 42 GLY D CA 1 ATOM 4792 C C . GLY D 4 43 ? -63.889 -49.111 24.305 1.00 32.29 ? 42 GLY D C 1 ATOM 4793 O O . GLY D 4 43 ? -62.963 -49.925 24.409 1.00 32.33 ? 42 GLY D O 1 ATOM 4794 N N . LEU D 4 44 ? -64.409 -48.772 23.125 1.00 29.11 ? 43 LEU D N 1 ATOM 4795 C CA . LEU D 4 44 ? -63.718 -49.127 21.873 1.00 26.70 ? 43 LEU D CA 1 ATOM 4796 C C . LEU D 4 44 ? -62.204 -48.803 21.935 1.00 25.00 ? 43 LEU D C 1 ATOM 4797 O O . LEU D 4 44 ? -61.808 -47.814 22.486 1.00 25.18 ? 43 LEU D O 1 ATOM 4798 C CB . LEU D 4 44 ? -64.351 -48.439 20.661 1.00 25.20 ? 43 LEU D CB 1 ATOM 4799 C CG . LEU D 4 44 ? -65.417 -49.223 19.875 1.00 26.09 ? 43 LEU D CG 1 ATOM 4800 C CD1 . LEU D 4 44 ? -66.704 -49.393 20.719 1.00 24.98 ? 43 LEU D CD1 1 ATOM 4801 C CD2 . LEU D 4 44 ? -65.745 -48.495 18.574 1.00 21.52 ? 43 LEU D CD2 1 ATOM 4802 N N . ARG D 4 45 ? -61.370 -49.685 21.416 1.00 23.79 ? 44 ARG D N 1 ATOM 4803 C CA . ARG D 4 45 ? -59.929 -49.487 21.490 1.00 24.45 ? 44 ARG D CA 1 ATOM 4804 C C . ARG D 4 45 ? -59.331 -49.631 20.106 1.00 22.20 ? 44 ARG D C 1 ATOM 4805 O O . ARG D 4 45 ? -59.585 -50.609 19.418 1.00 22.04 ? 44 ARG D O 1 ATOM 4806 C CB . ARG D 4 45 ? -59.283 -50.486 22.470 1.00 25.65 ? 44 ARG D CB 1 ATOM 4807 C CG . ARG D 4 45 ? -59.421 -50.081 23.924 1.00 31.26 ? 44 ARG D CG 1 ATOM 4808 C CD . ARG D 4 45 ? -58.948 -51.190 24.881 1.00 34.89 ? 44 ARG D CD 1 ATOM 4809 N NE . ARG D 4 45 ? -59.538 -52.483 24.555 1.00 35.81 ? 44 ARG D NE 1 ATOM 4810 C CZ . ARG D 4 45 ? -59.177 -53.635 25.117 1.00 41.14 ? 44 ARG D CZ 1 ATOM 4811 N NH1 . ARG D 4 45 ? -58.224 -53.666 26.056 1.00 44.07 ? 44 ARG D NH1 1 ATOM 4812 N NH2 . ARG D 4 45 ? -59.768 -54.757 24.734 1.00 40.82 ? 44 ARG D NH2 1 ATOM 4813 N N . LEU D 4 46 ? -58.485 -48.694 19.728 1.00 22.42 ? 45 LEU D N 1 ATOM 4814 C CA . LEU D 4 46 ? -57.982 -48.608 18.342 1.00 22.33 ? 45 LEU D CA 1 ATOM 4815 C C . LEU D 4 46 ? -56.877 -49.602 18.067 1.00 22.57 ? 45 LEU D C 1 ATOM 4816 O O . LEU D 4 46 ? -55.915 -49.670 18.842 1.00 24.47 ? 45 LEU D O 1 ATOM 4817 C CB . LEU D 4 46 ? -57.499 -47.190 18.029 1.00 21.44 ? 45 LEU D CB 1 ATOM 4818 C CG . LEU D 4 46 ? -56.995 -46.966 16.608 1.00 22.67 ? 45 LEU D CG 1 ATOM 4819 C CD1 . LEU D 4 46 ? -58.125 -46.984 15.556 1.00 23.40 ? 45 LEU D CD1 1 ATOM 4820 C CD2 . LEU D 4 46 ? -56.231 -45.675 16.572 1.00 24.63 ? 45 LEU D CD2 1 ATOM 4821 N N . ILE D 4 47 ? -57.024 -50.383 16.988 1.00 21.72 ? 46 ILE D N 1 ATOM 4822 C CA . ILE D 4 47 ? -56.076 -51.465 16.690 1.00 22.06 ? 46 ILE D CA 1 ATOM 4823 C C . ILE D 4 47 ? -55.071 -51.030 15.612 1.00 23.37 ? 46 ILE D C 1 ATOM 4824 O O . ILE D 4 47 ? -53.859 -50.996 15.847 1.00 24.50 ? 46 ILE D O 1 ATOM 4825 C CB . ILE D 4 47 ? -56.810 -52.744 16.184 1.00 22.31 ? 46 ILE D CB 1 ATOM 4826 C CG1 . ILE D 4 47 ? -57.858 -53.249 17.191 1.00 22.34 ? 46 ILE D CG1 1 ATOM 4827 C CG2 . ILE D 4 47 ? -55.807 -53.872 15.848 1.00 21.58 ? 46 ILE D CG2 1 ATOM 4828 C CD1 . ILE D 4 47 ? -58.812 -54.249 16.571 1.00 23.00 ? 46 ILE D CD1 1 ATOM 4829 N N . HIS D 4 48 ? -55.593 -50.740 14.421 1.00 22.46 ? 47 HIS D N 1 ATOM 4830 C CA . HIS D 4 48 ? -54.817 -50.235 13.301 1.00 24.17 ? 47 HIS D CA 1 ATOM 4831 C C . HIS D 4 48 ? -55.642 -49.110 12.632 1.00 23.77 ? 47 HIS D C 1 ATOM 4832 O O . HIS D 4 48 ? -56.888 -49.033 12.788 1.00 22.35 ? 47 HIS D O 1 ATOM 4833 C CB . HIS D 4 48 ? -54.536 -51.344 12.288 1.00 24.91 ? 47 HIS D CB 1 ATOM 4834 C CG . HIS D 4 48 ? -53.505 -52.346 12.723 1.00 26.30 ? 47 HIS D CG 1 ATOM 4835 N ND1 . HIS D 4 48 ? -52.172 -52.040 12.861 1.00 29.84 ? 47 HIS D ND1 1 ATOM 4836 C CD2 . HIS D 4 48 ? -53.610 -53.666 13.008 1.00 27.81 ? 47 HIS D CD2 1 ATOM 4837 C CE1 . HIS D 4 48 ? -51.501 -53.118 13.229 1.00 30.08 ? 47 HIS D CE1 1 ATOM 4838 N NE2 . HIS D 4 48 ? -52.351 -54.124 13.317 1.00 28.61 ? 47 HIS D NE2 1 ATOM 4839 N N . TYR D 4 49 ? -54.961 -48.220 11.923 1.00 24.02 ? 48 TYR D N 1 ATOM 4840 C CA . TYR D 4 49 ? -55.669 -47.212 11.119 1.00 23.92 ? 48 TYR D CA 1 ATOM 4841 C C . TYR D 4 49 ? -54.920 -46.960 9.858 1.00 25.19 ? 48 TYR D C 1 ATOM 4842 O O . TYR D 4 49 ? -53.842 -47.527 9.658 1.00 26.94 ? 48 TYR D O 1 ATOM 4843 C CB . TYR D 4 49 ? -55.968 -45.932 11.896 1.00 23.33 ? 48 TYR D CB 1 ATOM 4844 C CG . TYR D 4 49 ? -54.747 -45.182 12.403 1.00 24.42 ? 48 TYR D CG 1 ATOM 4845 C CD1 . TYR D 4 49 ? -54.061 -45.623 13.528 1.00 22.40 ? 48 TYR D CD1 1 ATOM 4846 C CD2 . TYR D 4 49 ? -54.322 -43.980 11.785 1.00 24.89 ? 48 TYR D CD2 1 ATOM 4847 C CE1 . TYR D 4 49 ? -52.956 -44.914 14.038 1.00 23.91 ? 48 TYR D CE1 1 ATOM 4848 C CE2 . TYR D 4 49 ? -53.218 -43.254 12.288 1.00 25.12 ? 48 TYR D CE2 1 ATOM 4849 C CZ . TYR D 4 49 ? -52.535 -43.739 13.418 1.00 24.23 ? 48 TYR D CZ 1 ATOM 4850 O OH . TYR D 4 49 ? -51.422 -43.083 13.918 1.00 24.80 ? 48 TYR D OH 1 ATOM 4851 N N . SER D 4 50 ? -55.492 -46.157 8.968 1.00 26.07 ? 49 SER D N 1 ATOM 4852 C CA . SER D 4 50 ? -54.845 -45.927 7.649 1.00 28.12 ? 49 SER D CA 1 ATOM 4853 C C . SER D 4 50 ? -55.180 -44.555 7.125 1.00 29.02 ? 49 SER D C 1 ATOM 4854 O O . SER D 4 50 ? -56.315 -44.127 7.209 1.00 28.31 ? 49 SER D O 1 ATOM 4855 C CB . SER D 4 50 ? -55.255 -46.988 6.633 1.00 28.97 ? 49 SER D CB 1 ATOM 4856 O OG . SER D 4 50 ? -54.762 -46.697 5.341 1.00 32.15 ? 49 SER D OG 1 ATOM 4857 N N . TYR D 4 51 ? -54.174 -43.875 6.587 1.00 31.36 ? 50 TYR D N 1 ATOM 4858 C CA . TYR D 4 51 ? -54.339 -42.528 6.014 1.00 33.54 ? 50 TYR D CA 1 ATOM 4859 C C . TYR D 4 51 ? -54.426 -42.517 4.476 1.00 36.03 ? 50 TYR D C 1 ATOM 4860 O O . TYR D 4 51 ? -54.631 -41.492 3.891 1.00 36.49 ? 50 TYR D O 1 ATOM 4861 C CB . TYR D 4 51 ? -53.192 -41.612 6.435 1.00 33.28 ? 50 TYR D CB 1 ATOM 4862 C CG . TYR D 4 51 ? -53.236 -41.148 7.853 1.00 33.14 ? 50 TYR D CG 1 ATOM 4863 C CD1 . TYR D 4 51 ? -54.413 -40.636 8.418 1.00 30.80 ? 50 TYR D CD1 1 ATOM 4864 C CD2 . TYR D 4 51 ? -52.080 -41.171 8.637 1.00 32.62 ? 50 TYR D CD2 1 ATOM 4865 C CE1 . TYR D 4 51 ? -54.432 -40.178 9.736 1.00 31.32 ? 50 TYR D CE1 1 ATOM 4866 C CE2 . TYR D 4 51 ? -52.086 -40.674 9.940 1.00 31.94 ? 50 TYR D CE2 1 ATOM 4867 C CZ . TYR D 4 51 ? -53.258 -40.191 10.488 1.00 31.51 ? 50 TYR D CZ 1 ATOM 4868 O OH . TYR D 4 51 ? -53.247 -39.709 11.783 1.00 30.67 ? 50 TYR D OH 1 ATOM 4869 N N . GLY D 4 52 ? -54.268 -43.664 3.836 1.00 38.82 ? 51 GLY D N 1 ATOM 4870 C CA . GLY D 4 52 ? -54.682 -43.801 2.446 1.00 42.75 ? 51 GLY D CA 1 ATOM 4871 C C . GLY D 4 52 ? -54.175 -45.110 1.958 1.00 46.06 ? 51 GLY D C 1 ATOM 4872 O O . GLY D 4 52 ? -53.585 -45.860 2.731 1.00 45.60 ? 51 GLY D O 1 ATOM 4873 N N . ALA D 4 53 ? -54.395 -45.382 0.671 1.00 50.42 ? 52 ALA D N 1 ATOM 4874 C CA . ALA D 4 53 ? -53.974 -46.612 0.037 1.00 53.36 ? 52 ALA D CA 1 ATOM 4875 C C . ALA D 4 53 ? -52.480 -46.892 0.242 1.00 55.87 ? 52 ALA D C 1 ATOM 4876 O O . ALA D 4 53 ? -51.639 -46.022 0.008 1.00 57.63 ? 52 ALA D O 1 ATOM 4877 C CB . ALA D 4 53 ? -54.280 -46.545 -1.463 1.00 57.58 ? 52 ALA D CB 1 ATOM 4878 N N . GLY D 4 54 ? -52.154 -48.126 0.642 1.00 56.38 ? 53 GLY D N 1 ATOM 4879 C CA . GLY D 4 54 ? -50.755 -48.541 0.836 1.00 58.03 ? 53 GLY D CA 1 ATOM 4880 C C . GLY D 4 54 ? -50.216 -48.160 2.218 1.00 55.45 ? 53 GLY D C 1 ATOM 4881 O O . GLY D 4 54 ? -49.114 -48.588 2.568 1.00 57.98 ? 53 GLY D O 1 ATOM 4882 N N . SER D 4 55 ? -50.979 -47.364 2.981 1.00 50.38 ? 54 SER D N 1 ATOM 4883 C CA . SER D 4 55 ? -50.584 -46.889 4.311 1.00 46.83 ? 54 SER D CA 1 ATOM 4884 C C . SER D 4 55 ? -51.367 -47.705 5.329 1.00 42.54 ? 54 SER D C 1 ATOM 4885 O O . SER D 4 55 ? -52.567 -47.904 5.179 1.00 41.09 ? 54 SER D O 1 ATOM 4886 C CB . SER D 4 55 ? -50.922 -45.376 4.550 1.00 45.58 ? 54 SER D CB 1 ATOM 4887 O OG . SER D 4 55 ? -51.469 -45.093 5.918 1.00 39.56 ? 54 SER D OG 1 ATOM 4888 N N . THR D 4 56 ? -50.683 -48.115 6.383 1.00 40.09 ? 55 THR D N 1 ATOM 4889 C CA . THR D 4 56 ? -51.308 -48.685 7.551 1.00 36.93 ? 55 THR D CA 1 ATOM 4890 C C . THR D 4 56 ? -50.435 -48.234 8.706 1.00 35.66 ? 55 THR D C 1 ATOM 4891 O O . THR D 4 56 ? -49.216 -48.085 8.563 1.00 36.93 ? 55 THR D O 1 ATOM 4892 C CB . THR D 4 56 ? -51.376 -50.240 7.506 1.00 37.40 ? 55 THR D CB 1 ATOM 4893 O OG1 . THR D 4 56 ? -50.158 -50.740 6.951 1.00 43.35 ? 55 THR D OG1 1 ATOM 4894 C CG2 . THR D 4 56 ? -52.464 -50.691 6.577 1.00 38.45 ? 55 THR D CG2 1 ATOM 4895 N N . GLU D 4 57 ? -51.068 -47.996 9.847 1.00 31.69 ? 56 GLU D N 1 ATOM 4896 C CA . GLU D 4 57 ? -50.349 -47.547 10.989 1.00 31.70 ? 56 GLU D CA 1 ATOM 4897 C C . GLU D 4 57 ? -50.845 -48.318 12.166 1.00 29.80 ? 56 GLU D C 1 ATOM 4898 O O . GLU D 4 57 ? -52.033 -48.609 12.257 1.00 27.20 ? 56 GLU D O 1 ATOM 4899 C CB . GLU D 4 57 ? -50.607 -46.040 11.228 1.00 30.98 ? 56 GLU D CB 1 ATOM 4900 C CG . GLU D 4 57 ? -50.104 -45.127 10.111 1.00 34.28 ? 56 GLU D CG 1 ATOM 4901 C CD . GLU D 4 57 ? -48.581 -45.078 10.028 1.00 40.89 ? 56 GLU D CD 1 ATOM 4902 O OE1 . GLU D 4 57 ? -47.924 -45.560 10.978 1.00 44.34 ? 56 GLU D OE1 1 ATOM 4903 O OE2 . GLU D 4 57 ? -48.038 -44.539 9.030 1.00 43.52 ? 56 GLU D OE2 1 ATOM 4904 N N . LYS D 4 58 ? -49.948 -48.575 13.108 1.00 31.20 ? 57 LYS D N 1 ATOM 4905 C CA . LYS D 4 58 ? -50.320 -49.129 14.412 1.00 30.74 ? 57 LYS D CA 1 ATOM 4906 C C . LYS D 4 58 ? -51.145 -48.176 15.299 1.00 29.47 ? 57 LYS D C 1 ATOM 4907 O O . LYS D 4 58 ? -50.815 -46.989 15.459 1.00 29.45 ? 57 LYS D O 1 ATOM 4908 C CB . LYS D 4 58 ? -49.072 -49.600 15.147 1.00 33.06 ? 57 LYS D CB 1 ATOM 4909 C CG . LYS D 4 58 ? -48.480 -50.801 14.460 1.00 34.87 ? 57 LYS D CG 1 ATOM 4910 C CD . LYS D 4 58 ? -47.183 -51.250 15.083 1.00 42.23 ? 57 LYS D CD 1 ATOM 4911 C CE . LYS D 4 58 ? -46.825 -52.652 14.558 1.00 45.20 ? 57 LYS D CE 1 ATOM 4912 N NZ . LYS D 4 58 ? -45.365 -52.847 14.644 1.00 52.13 ? 57 LYS D NZ 1 ATOM 4913 N N . GLY D 4 59 ? -52.226 -48.719 15.858 1.00 28.01 ? 58 GLY D N 1 ATOM 4914 C CA . GLY D 4 59 ? -53.059 -48.017 16.844 1.00 27.68 ? 58 GLY D CA 1 ATOM 4915 C C . GLY D 4 59 ? -52.589 -48.368 18.253 1.00 30.01 ? 58 GLY D C 1 ATOM 4916 O O . GLY D 4 59 ? -51.400 -48.607 18.470 1.00 31.42 ? 58 GLY D O 1 ATOM 4917 N N . ASP D 4 60 ? -53.520 -48.440 19.210 1.00 29.60 ? 59 ASP D N 1 ATOM 4918 C CA . ASP D 4 60 ? -53.141 -48.588 20.624 1.00 31.69 ? 59 ASP D CA 1 ATOM 4919 C C . ASP D 4 60 ? -52.861 -50.016 21.043 1.00 31.93 ? 59 ASP D C 1 ATOM 4920 O O . ASP D 4 60 ? -52.000 -50.254 21.867 1.00 33.17 ? 59 ASP D O 1 ATOM 4921 C CB . ASP D 4 60 ? -54.155 -47.889 21.522 1.00 31.42 ? 59 ASP D CB 1 ATOM 4922 C CG . ASP D 4 60 ? -54.143 -46.358 21.322 1.00 37.08 ? 59 ASP D CG 1 ATOM 4923 O OD1 . ASP D 4 60 ? -53.036 -45.733 21.212 1.00 43.47 ? 59 ASP D OD1 1 ATOM 4924 O OD2 . ASP D 4 60 ? -55.235 -45.752 21.289 1.00 39.68 ? 59 ASP D OD2 1 ATOM 4925 N N . ILE D 4 61 ? -53.562 -50.956 20.411 1.00 30.85 ? 60 ILE D N 1 ATOM 4926 C CA . ILE D 4 61 ? -53.440 -52.384 20.697 1.00 31.23 ? 60 ILE D CA 1 ATOM 4927 C C . ILE D 4 61 ? -53.232 -53.207 19.416 1.00 31.39 ? 60 ILE D C 1 ATOM 4928 O O . ILE D 4 61 ? -54.089 -54.024 19.042 1.00 31.11 ? 60 ILE D O 1 ATOM 4929 C CB . ILE D 4 61 ? -54.655 -52.921 21.468 1.00 30.47 ? 60 ILE D CB 1 ATOM 4930 C CG1 . ILE D 4 61 ? -55.980 -52.504 20.818 1.00 27.55 ? 60 ILE D CG1 1 ATOM 4931 C CG2 . ILE D 4 61 ? -54.607 -52.485 22.922 1.00 32.89 ? 60 ILE D CG2 1 ATOM 4932 C CD1 . ILE D 4 61 ? -57.129 -53.436 21.235 1.00 26.08 ? 60 ILE D CD1 1 ATOM 4933 N N . PRO D 4 62 ? -52.082 -53.005 18.736 1.00 32.24 ? 61 PRO D N 1 ATOM 4934 C CA . PRO D 4 62 ? -51.854 -53.694 17.439 1.00 31.89 ? 61 PRO D CA 1 ATOM 4935 C C . PRO D 4 62 ? -51.451 -55.185 17.497 1.00 33.27 ? 61 PRO D C 1 ATOM 4936 O O . PRO D 4 62 ? -51.570 -55.885 16.488 1.00 32.60 ? 61 PRO D O 1 ATOM 4937 C CB . PRO D 4 62 ? -50.715 -52.879 16.816 1.00 33.33 ? 61 PRO D CB 1 ATOM 4938 C CG . PRO D 4 62 ? -49.960 -52.307 18.013 1.00 34.38 ? 61 PRO D CG 1 ATOM 4939 C CD . PRO D 4 62 ? -50.998 -52.054 19.068 1.00 32.71 ? 61 PRO D CD 1 ATOM 4940 N N . ASP D 4 63 ? -50.997 -55.668 18.651 1.00 35.32 ? 62 ASP D N 1 ATOM 4941 C CA . ASP D 4 63 ? -50.442 -57.027 18.751 1.00 37.55 ? 62 ASP D CA 1 ATOM 4942 C C . ASP D 4 63 ? -51.412 -58.147 18.362 1.00 36.33 ? 62 ASP D C 1 ATOM 4943 O O . ASP D 4 63 ? -52.558 -58.226 18.863 1.00 34.09 ? 62 ASP D O 1 ATOM 4944 C CB . ASP D 4 63 ? -49.904 -57.291 20.146 1.00 40.48 ? 62 ASP D CB 1 ATOM 4945 C CG . ASP D 4 63 ? -48.616 -56.553 20.431 1.00 46.95 ? 62 ASP D CG 1 ATOM 4946 O OD1 . ASP D 4 63 ? -47.996 -56.855 21.474 1.00 53.59 ? 62 ASP D OD1 1 ATOM 4947 O OD2 . ASP D 4 63 ? -48.226 -55.651 19.642 1.00 51.96 ? 62 ASP D OD2 1 ATOM 4948 N N . GLY D 4 64 ? -50.939 -59.015 17.475 1.00 36.83 ? 63 GLY D N 1 ATOM 4949 C CA . GLY D 4 64 ? -51.726 -60.158 17.020 1.00 36.34 ? 63 GLY D CA 1 ATOM 4950 C C . GLY D 4 64 ? -52.539 -59.861 15.768 1.00 34.24 ? 63 GLY D C 1 ATOM 4951 O O . GLY D 4 64 ? -53.208 -60.755 15.240 1.00 33.81 ? 63 GLY D O 1 ATOM 4952 N N . TYR D 4 65 ? -52.474 -58.621 15.287 1.00 32.20 ? 64 TYR D N 1 ATOM 4953 C CA . TYR D 4 65 ? -53.245 -58.212 14.104 1.00 31.16 ? 64 TYR D CA 1 ATOM 4954 C C . TYR D 4 65 ? -52.335 -57.596 13.062 1.00 33.62 ? 64 TYR D C 1 ATOM 4955 O O . TYR D 4 65 ? -51.340 -56.911 13.389 1.00 34.99 ? 64 TYR D O 1 ATOM 4956 C CB . TYR D 4 65 ? -54.270 -57.137 14.450 1.00 27.91 ? 64 TYR D CB 1 ATOM 4957 C CG . TYR D 4 65 ? -55.278 -57.516 15.505 1.00 27.44 ? 64 TYR D CG 1 ATOM 4958 C CD1 . TYR D 4 65 ? -56.461 -58.216 15.164 1.00 23.90 ? 64 TYR D CD1 1 ATOM 4959 C CD2 . TYR D 4 65 ? -55.072 -57.173 16.834 1.00 27.00 ? 64 TYR D CD2 1 ATOM 4960 C CE1 . TYR D 4 65 ? -57.386 -58.547 16.113 1.00 24.34 ? 64 TYR D CE1 1 ATOM 4961 C CE2 . TYR D 4 65 ? -56.017 -57.522 17.821 1.00 26.52 ? 64 TYR D CE2 1 ATOM 4962 C CZ . TYR D 4 65 ? -57.154 -58.194 17.444 1.00 26.38 ? 64 TYR D CZ 1 ATOM 4963 O OH . TYR D 4 65 ? -58.059 -58.524 18.402 1.00 26.70 ? 64 TYR D OH 1 ATOM 4964 N N . LYS D 4 66 ? -52.717 -57.767 11.808 1.00 34.63 ? 65 LYS D N 1 ATOM 4965 C CA . LYS D 4 66 ? -52.031 -57.082 10.716 1.00 38.13 ? 65 LYS D CA 1 ATOM 4966 C C . LYS D 4 66 ? -53.100 -56.331 9.919 1.00 36.35 ? 65 LYS D C 1 ATOM 4967 O O . LYS D 4 66 ? -54.254 -56.715 9.927 1.00 35.60 ? 65 LYS D O 1 ATOM 4968 C CB . LYS D 4 66 ? -51.285 -58.108 9.873 1.00 41.36 ? 65 LYS D CB 1 ATOM 4969 C CG . LYS D 4 66 ? -50.127 -57.603 9.066 1.00 49.15 ? 65 LYS D CG 1 ATOM 4970 C CD . LYS D 4 66 ? -49.349 -58.787 8.457 1.00 57.65 ? 65 LYS D CD 1 ATOM 4971 C CE . LYS D 4 66 ? -49.744 -59.089 7.001 1.00 63.02 ? 65 LYS D CE 1 ATOM 4972 N NZ . LYS D 4 66 ? -48.750 -58.540 6.008 1.00 67.84 ? 65 LYS D NZ 1 ATOM 4973 N N . ALA D 4 67 ? -52.728 -55.237 9.266 1.00 37.08 ? 66 ALA D N 1 ATOM 4974 C CA . ALA D 4 67 ? -53.704 -54.438 8.532 1.00 34.89 ? 66 ALA D CA 1 ATOM 4975 C C . ALA D 4 67 ? -53.303 -54.354 7.073 1.00 37.28 ? 66 ALA D C 1 ATOM 4976 O O . ALA D 4 67 ? -52.131 -54.481 6.749 1.00 39.50 ? 66 ALA D O 1 ATOM 4977 C CB . ALA D 4 67 ? -53.808 -53.059 9.133 1.00 33.57 ? 66 ALA D CB 1 ATOM 4978 N N . SER D 4 68 ? -54.284 -54.179 6.195 1.00 36.40 ? 67 SER D N 1 ATOM 4979 C CA . SER D 4 68 ? -54.042 -54.083 4.754 1.00 38.55 ? 67 SER D CA 1 ATOM 4980 C C . SER D 4 68 ? -54.927 -52.994 4.137 1.00 37.41 ? 67 SER D C 1 ATOM 4981 O O . SER D 4 68 ? -56.150 -52.958 4.350 1.00 35.04 ? 67 SER D O 1 ATOM 4982 C CB . SER D 4 68 ? -54.321 -55.444 4.096 1.00 39.56 ? 67 SER D CB 1 ATOM 4983 O OG . SER D 4 68 ? -54.157 -55.376 2.698 1.00 44.64 ? 67 SER D OG 1 ATOM 4984 N N . ARG D 4 69 ? -54.314 -52.111 3.373 1.00 38.90 ? 68 ARG D N 1 ATOM 4985 C CA . ARG D 4 69 ? -55.072 -51.088 2.688 1.00 39.77 ? 68 ARG D CA 1 ATOM 4986 C C . ARG D 4 69 ? -54.687 -51.082 1.210 1.00 43.91 ? 68 ARG D C 1 ATOM 4987 O O . ARG D 4 69 ? -53.860 -50.263 0.785 1.00 45.98 ? 68 ARG D O 1 ATOM 4988 C CB . ARG D 4 69 ? -54.847 -49.711 3.323 1.00 38.07 ? 68 ARG D CB 1 ATOM 4989 C CG . ARG D 4 69 ? -55.714 -48.598 2.741 1.00 36.95 ? 68 ARG D CG 1 ATOM 4990 C CD . ARG D 4 69 ? -57.075 -48.514 3.425 1.00 34.36 ? 68 ARG D CD 1 ATOM 4991 N NE . ARG D 4 69 ? -57.928 -47.515 2.803 1.00 32.84 ? 68 ARG D NE 1 ATOM 4992 C CZ . ARG D 4 69 ? -57.952 -46.228 3.124 1.00 34.21 ? 68 ARG D CZ 1 ATOM 4993 N NH1 . ARG D 4 69 ? -57.175 -45.752 4.096 1.00 33.96 ? 68 ARG D NH1 1 ATOM 4994 N NH2 . ARG D 4 69 ? -58.779 -45.411 2.489 1.00 35.03 ? 68 ARG D NH2 1 ATOM 4995 N N . PRO D 4 70 ? -55.280 -52.003 0.426 1.00 45.60 ? 69 PRO D N 1 ATOM 4996 C CA . PRO D 4 70 ? -54.924 -52.131 -0.986 1.00 50.43 ? 69 PRO D CA 1 ATOM 4997 C C . PRO D 4 70 ? -55.522 -51.047 -1.884 1.00 52.81 ? 69 PRO D C 1 ATOM 4998 O O . PRO D 4 70 ? -55.059 -50.881 -2.999 1.00 56.42 ? 69 PRO D O 1 ATOM 4999 C CB . PRO D 4 70 ? -55.481 -53.501 -1.362 1.00 51.15 ? 69 PRO D CB 1 ATOM 5000 C CG . PRO D 4 70 ? -56.575 -53.744 -0.433 1.00 46.32 ? 69 PRO D CG 1 ATOM 5001 C CD . PRO D 4 70 ? -56.215 -53.060 0.849 1.00 43.99 ? 69 PRO D CD 1 ATOM 5002 N N . SER D 4 71 ? -56.525 -50.309 -1.394 1.00 50.73 ? 70 SER D N 1 ATOM 5003 C CA . SER D 4 71 ? -57.266 -49.357 -2.236 1.00 52.66 ? 70 SER D CA 1 ATOM 5004 C C . SER D 4 71 ? -57.945 -48.351 -1.344 1.00 49.08 ? 70 SER D C 1 ATOM 5005 O O . SER D 4 71 ? -58.055 -48.570 -0.135 1.00 45.63 ? 70 SER D O 1 ATOM 5006 C CB . SER D 4 71 ? -58.351 -50.099 -3.039 1.00 54.94 ? 70 SER D CB 1 ATOM 5007 O OG . SER D 4 71 ? -59.313 -50.642 -2.128 1.00 52.71 ? 70 SER D OG 1 ATOM 5008 N N . GLN D 4 72 ? -58.417 -47.258 -1.938 1.00 50.49 ? 71 GLN D N 1 ATOM 5009 C CA . GLN D 4 72 ? -59.122 -46.229 -1.201 1.00 48.08 ? 71 GLN D CA 1 ATOM 5010 C C . GLN D 4 72 ? -60.313 -46.828 -0.476 1.00 45.45 ? 71 GLN D C 1 ATOM 5011 O O . GLN D 4 72 ? -60.582 -46.433 0.662 1.00 42.30 ? 71 GLN D O 1 ATOM 5012 C CB . GLN D 4 72 ? -59.555 -45.073 -2.114 1.00 51.31 ? 71 GLN D CB 1 ATOM 5013 C CG . GLN D 4 72 ? -60.227 -43.905 -1.398 1.00 51.79 ? 71 GLN D CG 1 ATOM 5014 C CD . GLN D 4 72 ? -59.261 -42.823 -0.880 1.00 55.10 ? 71 GLN D CD 1 ATOM 5015 O OE1 . GLN D 4 72 ? -58.120 -43.097 -0.468 1.00 55.88 ? 71 GLN D OE1 1 ATOM 5016 N NE2 . GLN D 4 72 ? -59.746 -41.580 -0.864 1.00 54.30 ? 71 GLN D NE2 1 ATOM 5017 N N . GLU D 4 73 ? -60.968 -47.813 -1.101 1.00 46.80 ? 72 GLU D N 1 ATOM 5018 C CA . GLU D 4 73 ? -62.245 -48.372 -0.635 1.00 46.55 ? 72 GLU D CA 1 ATOM 5019 C C . GLU D 4 73 ? -62.163 -49.370 0.531 1.00 43.28 ? 72 GLU D C 1 ATOM 5020 O O . GLU D 4 73 ? -63.037 -49.379 1.382 1.00 41.01 ? 72 GLU D O 1 ATOM 5021 C CB . GLU D 4 73 ? -62.990 -49.067 -1.774 1.00 50.33 ? 72 GLU D CB 1 ATOM 5022 C CG . GLU D 4 73 ? -63.903 -48.183 -2.609 1.00 57.80 ? 72 GLU D CG 1 ATOM 5023 C CD . GLU D 4 73 ? -64.672 -49.002 -3.658 1.00 67.77 ? 72 GLU D CD 1 ATOM 5024 O OE1 . GLU D 4 73 ? -65.137 -50.133 -3.322 1.00 69.23 ? 72 GLU D OE1 1 ATOM 5025 O OE2 . GLU D 4 73 ? -64.793 -48.538 -4.820 1.00 73.15 ? 72 GLU D OE2 1 ATOM 5026 N N . ASN D 4 74 ? -61.132 -50.218 0.527 1.00 43.32 ? 73 ASN D N 1 ATOM 5027 C CA . ASN D 4 74 ? -61.043 -51.375 1.386 1.00 41.06 ? 73 ASN D CA 1 ATOM 5028 C C . ASN D 4 74 ? -59.918 -51.286 2.415 1.00 37.95 ? 73 ASN D C 1 ATOM 5029 O O . ASN D 4 74 ? -58.785 -50.960 2.072 1.00 38.92 ? 73 ASN D O 1 ATOM 5030 C CB . ASN D 4 74 ? -60.866 -52.642 0.531 1.00 43.70 ? 73 ASN D CB 1 ATOM 5031 C CG . ASN D 4 74 ? -62.067 -52.890 -0.408 1.00 50.48 ? 73 ASN D CG 1 ATOM 5032 O OD1 . ASN D 4 74 ? -63.233 -52.750 0.026 1.00 53.74 ? 73 ASN D OD1 1 ATOM 5033 N ND2 . ASN D 4 74 ? -61.797 -53.272 -1.693 1.00 50.97 ? 73 ASN D ND2 1 ATOM 5034 N N . PHE D 4 75 ? -60.249 -51.629 3.654 1.00 34.27 ? 74 PHE D N 1 ATOM 5035 C CA . PHE D 4 75 ? -59.318 -51.734 4.760 1.00 32.71 ? 74 PHE D CA 1 ATOM 5036 C C . PHE D 4 75 ? -59.601 -53.082 5.433 1.00 32.49 ? 74 PHE D C 1 ATOM 5037 O O . PHE D 4 75 ? -60.717 -53.317 5.932 1.00 32.01 ? 74 PHE D O 1 ATOM 5038 C CB . PHE D 4 75 ? -59.562 -50.571 5.741 1.00 30.55 ? 74 PHE D CB 1 ATOM 5039 C CG . PHE D 4 75 ? -58.472 -50.377 6.801 1.00 27.98 ? 74 PHE D CG 1 ATOM 5040 C CD1 . PHE D 4 75 ? -57.128 -50.735 6.548 1.00 26.60 ? 74 PHE D CD1 1 ATOM 5041 C CD2 . PHE D 4 75 ? -58.805 -49.802 8.047 1.00 22.12 ? 74 PHE D CD2 1 ATOM 5042 C CE1 . PHE D 4 75 ? -56.123 -50.525 7.517 1.00 28.31 ? 74 PHE D CE1 1 ATOM 5043 C CE2 . PHE D 4 75 ? -57.826 -49.574 9.035 1.00 22.68 ? 74 PHE D CE2 1 ATOM 5044 C CZ . PHE D 4 75 ? -56.489 -49.931 8.801 1.00 25.42 ? 74 PHE D CZ 1 ATOM 5045 N N . SER D 4 76 ? -58.607 -53.975 5.423 1.00 33.14 ? 75 SER D N 1 ATOM 5046 C CA . SER D 4 76 ? -58.712 -55.288 6.062 1.00 32.35 ? 75 SER D CA 1 ATOM 5047 C C . SER D 4 76 ? -57.931 -55.447 7.348 1.00 31.30 ? 75 SER D C 1 ATOM 5048 O O . SER D 4 76 ? -56.819 -54.946 7.492 1.00 31.54 ? 75 SER D O 1 ATOM 5049 C CB . SER D 4 76 ? -58.228 -56.356 5.128 1.00 35.16 ? 75 SER D CB 1 ATOM 5050 O OG . SER D 4 76 ? -59.231 -56.552 4.185 1.00 39.67 ? 75 SER D OG 1 ATOM 5051 N N . LEU D 4 77 ? -58.532 -56.194 8.265 1.00 30.06 ? 76 LEU D N 1 ATOM 5052 C CA . LEU D 4 77 ? -57.900 -56.600 9.485 1.00 29.59 ? 76 LEU D CA 1 ATOM 5053 C C . LEU D 4 77 ? -57.672 -58.112 9.345 1.00 30.48 ? 76 LEU D C 1 ATOM 5054 O O . LEU D 4 77 ? -58.590 -58.878 9.084 1.00 30.27 ? 76 LEU D O 1 ATOM 5055 C CB . LEU D 4 77 ? -58.805 -56.255 10.679 1.00 27.01 ? 76 LEU D CB 1 ATOM 5056 C CG . LEU D 4 77 ? -58.141 -56.350 12.044 1.00 28.20 ? 76 LEU D CG 1 ATOM 5057 C CD1 . LEU D 4 77 ? -57.039 -55.324 12.189 1.00 27.00 ? 76 LEU D CD1 1 ATOM 5058 C CD2 . LEU D 4 77 ? -59.159 -56.263 13.213 1.00 22.93 ? 76 LEU D CD2 1 ATOM 5059 N N . ILE D 4 78 ? -56.430 -58.525 9.503 1.00 32.07 ? 77 ILE D N 1 ATOM 5060 C CA . ILE D 4 78 ? -56.050 -59.904 9.304 1.00 34.73 ? 77 ILE D CA 1 ATOM 5061 C C . ILE D 4 78 ? -55.439 -60.430 10.590 1.00 35.01 ? 77 ILE D C 1 ATOM 5062 O O . ILE D 4 78 ? -54.524 -59.829 11.161 1.00 35.74 ? 77 ILE D O 1 ATOM 5063 C CB . ILE D 4 78 ? -55.044 -60.027 8.139 1.00 38.12 ? 77 ILE D CB 1 ATOM 5064 C CG1 . ILE D 4 78 ? -55.523 -59.223 6.910 1.00 39.86 ? 77 ILE D CG1 1 ATOM 5065 C CG2 . ILE D 4 78 ? -54.813 -61.468 7.767 1.00 40.96 ? 77 ILE D CG2 1 ATOM 5066 C CD1 . ILE D 4 78 ? -54.452 -59.038 5.802 1.00 46.78 ? 77 ILE D CD1 1 ATOM 5067 N N . LEU D 4 79 ? -55.988 -61.548 11.049 1.00 35.48 ? 78 LEU D N 1 ATOM 5068 C CA . LEU D 4 79 ? -55.513 -62.264 12.222 1.00 36.16 ? 78 LEU D CA 1 ATOM 5069 C C . LEU D 4 79 ? -54.890 -63.528 11.702 1.00 38.40 ? 78 LEU D C 1 ATOM 5070 O O . LEU D 4 79 ? -55.599 -64.475 11.375 1.00 38.52 ? 78 LEU D O 1 ATOM 5071 C CB . LEU D 4 79 ? -56.681 -62.633 13.131 1.00 35.18 ? 78 LEU D CB 1 ATOM 5072 C CG . LEU D 4 79 ? -57.484 -61.584 13.906 1.00 34.78 ? 78 LEU D CG 1 ATOM 5073 C CD1 . LEU D 4 79 ? -58.063 -60.482 13.009 1.00 33.98 ? 78 LEU D CD1 1 ATOM 5074 C CD2 . LEU D 4 79 ? -58.593 -62.309 14.697 1.00 30.55 ? 78 LEU D CD2 1 ATOM 5075 N N . GLU D 4 80 ? -53.563 -63.533 11.604 1.00 41.21 ? 79 GLU D N 1 ATOM 5076 C CA . GLU D 4 80 ? -52.836 -64.613 10.970 1.00 45.13 ? 79 GLU D CA 1 ATOM 5077 C C . GLU D 4 80 ? -52.935 -65.917 11.780 1.00 45.84 ? 79 GLU D C 1 ATOM 5078 O O . GLU D 4 80 ? -52.898 -66.985 11.218 1.00 47.84 ? 79 GLU D O 1 ATOM 5079 C CB . GLU D 4 80 ? -51.368 -64.228 10.758 1.00 47.98 ? 79 GLU D CB 1 ATOM 5080 C CG . GLU D 4 80 ? -51.148 -62.944 9.950 1.00 51.77 ? 79 GLU D CG 1 ATOM 5081 C CD . GLU D 4 80 ? -50.959 -63.186 8.454 1.00 59.30 ? 79 GLU D CD 1 ATOM 5082 O OE1 . GLU D 4 80 ? -51.205 -64.321 7.980 1.00 61.25 ? 79 GLU D OE1 1 ATOM 5083 O OE2 . GLU D 4 80 ? -50.559 -62.231 7.743 1.00 63.56 ? 79 GLU D OE2 1 ATOM 5084 N N . LEU D 4 81 ? -53.057 -65.808 13.097 1.00 44.85 ? 80 LEU D N 1 ATOM 5085 C CA . LEU D 4 81 ? -53.089 -66.956 13.987 1.00 46.64 ? 80 LEU D CA 1 ATOM 5086 C C . LEU D 4 81 ? -54.104 -66.677 15.089 1.00 43.91 ? 80 LEU D C 1 ATOM 5087 O O . LEU D 4 81 ? -53.736 -66.262 16.199 1.00 44.13 ? 80 LEU D O 1 ATOM 5088 C CB . LEU D 4 81 ? -51.695 -67.199 14.605 1.00 50.01 ? 80 LEU D CB 1 ATOM 5089 C CG . LEU D 4 81 ? -50.588 -67.835 13.757 1.00 55.39 ? 80 LEU D CG 1 ATOM 5090 C CD1 . LEU D 4 81 ? -49.262 -67.961 14.551 1.00 60.93 ? 80 LEU D CD1 1 ATOM 5091 C CD2 . LEU D 4 81 ? -51.006 -69.192 13.163 1.00 54.01 ? 80 LEU D CD2 1 ATOM 5092 N N . ALA D 4 82 ? -55.381 -66.894 14.789 1.00 41.15 ? 81 ALA D N 1 ATOM 5093 C CA . ALA D 4 82 ? -56.418 -66.441 15.708 1.00 38.47 ? 81 ALA D CA 1 ATOM 5094 C C . ALA D 4 82 ? -56.230 -67.089 17.085 1.00 38.93 ? 81 ALA D C 1 ATOM 5095 O O . ALA D 4 82 ? -55.859 -68.262 17.185 1.00 40.01 ? 81 ALA D O 1 ATOM 5096 C CB . ALA D 4 82 ? -57.807 -66.740 15.138 1.00 36.87 ? 81 ALA D CB 1 ATOM 5097 N N . THR D 4 83 ? -56.457 -66.312 18.133 1.00 37.07 ? 82 THR D N 1 ATOM 5098 C CA . THR D 4 83 ? -56.444 -66.843 19.495 1.00 38.43 ? 82 THR D CA 1 ATOM 5099 C C . THR D 4 83 ? -57.771 -66.504 20.183 1.00 36.08 ? 82 THR D C 1 ATOM 5100 O O . THR D 4 83 ? -58.366 -65.502 19.853 1.00 34.17 ? 82 THR D O 1 ATOM 5101 C CB . THR D 4 83 ? -55.343 -66.179 20.356 1.00 39.70 ? 82 THR D CB 1 ATOM 5102 O OG1 . THR D 4 83 ? -55.704 -64.813 20.584 1.00 36.86 ? 82 THR D OG1 1 ATOM 5103 C CG2 . THR D 4 83 ? -53.930 -66.277 19.717 1.00 41.86 ? 82 THR D CG2 1 ATOM 5104 N N . PRO D 4 84 ? -58.188 -67.293 21.193 1.00 37.62 ? 83 PRO D N 1 ATOM 5105 C CA . PRO D 4 84 ? -59.423 -66.992 21.932 1.00 36.63 ? 83 PRO D CA 1 ATOM 5106 C C . PRO D 4 84 ? -59.491 -65.555 22.473 1.00 35.56 ? 83 PRO D C 1 ATOM 5107 O O . PRO D 4 84 ? -60.581 -65.001 22.623 1.00 34.58 ? 83 PRO D O 1 ATOM 5108 C CB . PRO D 4 84 ? -59.404 -68.011 23.063 1.00 39.35 ? 83 PRO D CB 1 ATOM 5109 C CG . PRO D 4 84 ? -58.661 -69.180 22.492 1.00 40.01 ? 83 PRO D CG 1 ATOM 5110 C CD . PRO D 4 84 ? -57.567 -68.554 21.664 1.00 40.17 ? 83 PRO D CD 1 ATOM 5111 N N . SER D 4 85 ? -58.354 -64.925 22.712 1.00 35.46 ? 84 SER D N 1 ATOM 5112 C CA . SER D 4 85 ? -58.385 -63.565 23.243 1.00 34.58 ? 84 SER D CA 1 ATOM 5113 C C . SER D 4 85 ? -58.845 -62.562 22.174 1.00 31.91 ? 84 SER D C 1 ATOM 5114 O O . SER D 4 85 ? -59.116 -61.418 22.469 1.00 30.07 ? 84 SER D O 1 ATOM 5115 C CB . SER D 4 85 ? -57.015 -63.172 23.820 1.00 36.82 ? 84 SER D CB 1 ATOM 5116 O OG . SER D 4 85 ? -56.171 -62.596 22.827 1.00 36.26 ? 84 SER D OG 1 ATOM 5117 N N . GLN D 4 86 ? -58.969 -63.011 20.931 1.00 31.44 ? 85 GLN D N 1 ATOM 5118 C CA . GLN D 4 86 ? -59.436 -62.127 19.865 1.00 30.07 ? 85 GLN D CA 1 ATOM 5119 C C . GLN D 4 86 ? -60.931 -62.242 19.662 1.00 28.98 ? 85 GLN D C 1 ATOM 5120 O O . GLN D 4 86 ? -61.494 -61.619 18.780 1.00 28.91 ? 85 GLN D O 1 ATOM 5121 C CB . GLN D 4 86 ? -58.651 -62.382 18.581 1.00 30.09 ? 85 GLN D CB 1 ATOM 5122 C CG . GLN D 4 86 ? -57.186 -62.003 18.782 1.00 33.53 ? 85 GLN D CG 1 ATOM 5123 C CD . GLN D 4 86 ? -56.356 -62.348 17.605 1.00 36.95 ? 85 GLN D CD 1 ATOM 5124 O OE1 . GLN D 4 86 ? -56.412 -63.464 17.115 1.00 39.36 ? 85 GLN D OE1 1 ATOM 5125 N NE2 . GLN D 4 86 ? -55.586 -61.388 17.121 1.00 38.41 ? 85 GLN D NE2 1 ATOM 5126 N N . THR D 4 87 ? -61.582 -63.023 20.508 1.00 30.01 ? 86 THR D N 1 ATOM 5127 C CA . THR D 4 87 ? -63.045 -63.026 20.560 1.00 29.40 ? 86 THR D CA 1 ATOM 5128 C C . THR D 4 87 ? -63.539 -61.638 20.933 1.00 28.39 ? 86 THR D C 1 ATOM 5129 O O . THR D 4 87 ? -63.170 -61.122 21.971 1.00 29.55 ? 86 THR D O 1 ATOM 5130 C CB . THR D 4 87 ? -63.558 -64.120 21.534 1.00 30.57 ? 86 THR D CB 1 ATOM 5131 O OG1 . THR D 4 87 ? -63.318 -65.410 20.938 1.00 33.23 ? 86 THR D OG1 1 ATOM 5132 C CG2 . THR D 4 87 ? -65.058 -63.970 21.851 1.00 30.48 ? 86 THR D CG2 1 ATOM 5133 N N . SER D 4 88 ? -64.402 -61.044 20.111 1.00 27.65 ? 87 SER D N 1 ATOM 5134 C CA . SER D 4 88 ? -64.766 -59.637 20.299 1.00 27.00 ? 87 SER D CA 1 ATOM 5135 C C . SER D 4 88 ? -65.753 -59.163 19.233 1.00 26.31 ? 87 SER D C 1 ATOM 5136 O O . SER D 4 88 ? -66.118 -59.923 18.314 1.00 25.90 ? 87 SER D O 1 ATOM 5137 C CB . SER D 4 88 ? -63.494 -58.761 20.182 1.00 26.32 ? 87 SER D CB 1 ATOM 5138 O OG . SER D 4 88 ? -63.596 -57.586 20.958 1.00 27.22 ? 87 SER D OG 1 ATOM 5139 N N . VAL D 4 89 ? -66.178 -57.908 19.375 1.00 25.38 ? 88 VAL D N 1 ATOM 5140 C CA . VAL D 4 89 ? -66.876 -57.217 18.317 1.00 25.38 ? 88 VAL D CA 1 ATOM 5141 C C . VAL D 4 89 ? -65.932 -56.164 17.715 1.00 25.15 ? 88 VAL D C 1 ATOM 5142 O O . VAL D 4 89 ? -65.396 -55.297 18.446 1.00 24.86 ? 88 VAL D O 1 ATOM 5143 C CB . VAL D 4 89 ? -68.164 -56.572 18.832 1.00 26.30 ? 88 VAL D CB 1 ATOM 5144 C CG1 . VAL D 4 89 ? -68.918 -55.953 17.684 1.00 27.55 ? 88 VAL D CG1 1 ATOM 5145 C CG2 . VAL D 4 89 ? -69.048 -57.628 19.552 1.00 26.18 ? 88 VAL D CG2 1 ATOM 5146 N N . TYR D 4 90 ? -65.737 -56.252 16.392 1.00 24.10 ? 89 TYR D N 1 ATOM 5147 C CA . TYR D 4 90 ? -64.894 -55.320 15.651 1.00 23.13 ? 89 TYR D CA 1 ATOM 5148 C C . TYR D 4 90 ? -65.663 -54.264 14.887 1.00 23.81 ? 89 TYR D C 1 ATOM 5149 O O . TYR D 4 90 ? -66.645 -54.581 14.211 1.00 24.97 ? 89 TYR D O 1 ATOM 5150 C CB . TYR D 4 90 ? -64.009 -56.075 14.679 1.00 22.07 ? 89 TYR D CB 1 ATOM 5151 C CG . TYR D 4 90 ? -63.061 -56.941 15.427 1.00 22.39 ? 89 TYR D CG 1 ATOM 5152 C CD1 . TYR D 4 90 ? -63.464 -58.208 15.884 1.00 20.84 ? 89 TYR D CD1 1 ATOM 5153 C CD2 . TYR D 4 90 ? -61.764 -56.504 15.711 1.00 22.12 ? 89 TYR D CD2 1 ATOM 5154 C CE1 . TYR D 4 90 ? -62.620 -59.009 16.607 1.00 21.30 ? 89 TYR D CE1 1 ATOM 5155 C CE2 . TYR D 4 90 ? -60.877 -57.321 16.436 1.00 25.11 ? 89 TYR D CE2 1 ATOM 5156 C CZ . TYR D 4 90 ? -61.336 -58.588 16.877 1.00 23.79 ? 89 TYR D CZ 1 ATOM 5157 O OH . TYR D 4 90 ? -60.514 -59.418 17.596 1.00 24.52 ? 89 TYR D OH 1 ATOM 5158 N N . PHE D 4 91 ? -65.203 -53.013 14.979 1.00 23.67 ? 90 PHE D N 1 ATOM 5159 C CA . PHE D 4 91 ? -65.844 -51.919 14.239 1.00 24.78 ? 90 PHE D CA 1 ATOM 5160 C C . PHE D 4 91 ? -64.830 -51.227 13.401 1.00 25.26 ? 90 PHE D C 1 ATOM 5161 O O . PHE D 4 91 ? -63.747 -50.860 13.888 1.00 25.70 ? 90 PHE D O 1 ATOM 5162 C CB . PHE D 4 91 ? -66.477 -50.873 15.132 1.00 23.85 ? 90 PHE D CB 1 ATOM 5163 C CG . PHE D 4 91 ? -67.648 -51.356 15.896 1.00 25.21 ? 90 PHE D CG 1 ATOM 5164 C CD1 . PHE D 4 91 ? -67.494 -51.839 17.195 1.00 26.30 ? 90 PHE D CD1 1 ATOM 5165 C CD2 . PHE D 4 91 ? -68.920 -51.295 15.351 1.00 26.51 ? 90 PHE D CD2 1 ATOM 5166 C CE1 . PHE D 4 91 ? -68.616 -52.266 17.937 1.00 25.84 ? 90 PHE D CE1 1 ATOM 5167 C CE2 . PHE D 4 91 ? -70.030 -51.745 16.058 1.00 26.83 ? 90 PHE D CE2 1 ATOM 5168 C CZ . PHE D 4 91 ? -69.882 -52.218 17.359 1.00 27.98 ? 90 PHE D CZ 1 ATOM 5169 N N . CYS D 4 92 ? -65.207 -51.044 12.147 1.00 25.49 ? 91 CYS D N 1 ATOM 5170 C CA . CYS D 4 92 ? -64.451 -50.311 11.180 1.00 27.29 ? 91 CYS D CA 1 ATOM 5171 C C . CYS D 4 92 ? -65.043 -48.889 11.125 1.00 26.20 ? 91 CYS D C 1 ATOM 5172 O O . CYS D 4 92 ? -66.247 -48.714 11.323 1.00 27.08 ? 91 CYS D O 1 ATOM 5173 C CB . CYS D 4 92 ? -64.670 -50.954 9.798 1.00 29.19 ? 91 CYS D CB 1 ATOM 5174 S SG . CYS D 4 92 ? -63.765 -50.013 8.567 1.00 43.52 ? 91 CYS D SG 1 ATOM 5175 N N . ALA D 4 93 ? -64.230 -47.884 10.804 1.00 25.16 ? 92 ALA D N 1 ATOM 5176 C CA . ALA D 4 93 ? -64.761 -46.534 10.539 1.00 25.38 ? 92 ALA D CA 1 ATOM 5177 C C . ALA D 4 93 ? -63.961 -45.856 9.455 1.00 26.37 ? 92 ALA D C 1 ATOM 5178 O O . ALA D 4 93 ? -62.801 -46.201 9.207 1.00 27.41 ? 92 ALA D O 1 ATOM 5179 C CB . ALA D 4 93 ? -64.815 -45.657 11.817 1.00 23.29 ? 92 ALA D CB 1 ATOM 5180 N N . SER D 4 94 ? -64.578 -44.905 8.789 1.00 27.33 ? 93 SER D N 1 ATOM 5181 C CA . SER D 4 94 ? -63.843 -44.110 7.827 1.00 29.14 ? 93 SER D CA 1 ATOM 5182 C C . SER D 4 94 ? -64.099 -42.622 8.103 1.00 29.12 ? 93 SER D C 1 ATOM 5183 O O . SER D 4 94 ? -64.972 -42.300 8.898 1.00 30.36 ? 93 SER D O 1 ATOM 5184 C CB . SER D 4 94 ? -64.278 -44.451 6.424 1.00 30.32 ? 93 SER D CB 1 ATOM 5185 O OG . SER D 4 94 ? -65.387 -43.650 6.114 1.00 33.25 ? 93 SER D OG 1 ATOM 5186 N N . GLY D 4 95 ? -63.330 -41.743 7.463 1.00 29.44 ? 94 GLY D N 1 ATOM 5187 C CA . GLY D 4 95 ? -63.470 -40.282 7.614 1.00 29.33 ? 94 GLY D CA 1 ATOM 5188 C C . GLY D 4 95 ? -62.593 -39.502 6.654 1.00 30.46 ? 94 GLY D C 1 ATOM 5189 O O . GLY D 4 95 ? -61.663 -40.042 6.047 1.00 30.80 ? 94 GLY D O 1 ATOM 5190 N N . ASP D 4 96 ? -62.886 -38.218 6.491 1.00 31.96 ? 95 ASP D N 1 ATOM 5191 C CA . ASP D 4 96 ? -62.034 -37.369 5.662 1.00 33.17 ? 95 ASP D CA 1 ATOM 5192 C C . ASP D 4 96 ? -61.124 -36.552 6.582 1.00 31.47 ? 95 ASP D C 1 ATOM 5193 O O . ASP D 4 96 ? -60.735 -37.032 7.662 1.00 28.45 ? 95 ASP D O 1 ATOM 5194 C CB . ASP D 4 96 ? -62.854 -36.514 4.667 1.00 36.26 ? 95 ASP D CB 1 ATOM 5195 C CG . ASP D 4 96 ? -63.927 -35.640 5.354 1.00 39.85 ? 95 ASP D CG 1 ATOM 5196 O OD1 . ASP D 4 96 ? -64.926 -35.305 4.665 1.00 43.06 ? 95 ASP D OD1 1 ATOM 5197 O OD2 . ASP D 4 96 ? -63.782 -35.258 6.560 1.00 38.77 ? 95 ASP D OD2 1 ATOM 5198 N N . GLU D 4 97 ? -60.778 -35.334 6.179 1.00 32.97 ? 96 GLU D N 1 ATOM 5199 C CA . GLU D 4 97 ? -59.906 -34.511 7.009 1.00 32.84 ? 96 GLU D CA 1 ATOM 5200 C C . GLU D 4 97 ? -60.559 -33.954 8.311 1.00 32.05 ? 96 GLU D C 1 ATOM 5201 O O . GLU D 4 97 ? -59.833 -33.577 9.227 1.00 31.05 ? 96 GLU D O 1 ATOM 5202 C CB . GLU D 4 97 ? -59.267 -33.411 6.171 1.00 35.13 ? 96 GLU D CB 1 ATOM 5203 C CG . GLU D 4 97 ? -60.218 -32.264 5.758 1.00 38.53 ? 96 GLU D CG 1 ATOM 5204 C CD . GLU D 4 97 ? -61.058 -32.557 4.494 1.00 43.48 ? 96 GLU D CD 1 ATOM 5205 O OE1 . GLU D 4 97 ? -61.501 -31.577 3.841 1.00 45.64 ? 96 GLU D OE1 1 ATOM 5206 O OE2 . GLU D 4 97 ? -61.258 -33.757 4.158 1.00 42.91 ? 96 GLU D OE2 1 ATOM 5207 N N . GLY D 4 98 ? -61.903 -33.911 8.377 1.00 32.82 ? 97 GLY D N 1 ATOM 5208 C CA . GLY D 4 98 ? -62.668 -33.379 9.519 1.00 32.30 ? 97 GLY D CA 1 ATOM 5209 C C . GLY D 4 98 ? -62.607 -34.340 10.710 1.00 31.97 ? 97 GLY D C 1 ATOM 5210 O O . GLY D 4 98 ? -61.943 -35.365 10.628 1.00 30.77 ? 97 GLY D O 1 ATOM 5211 N N . TYR D 4 99 ? -63.320 -34.067 11.798 1.00 32.42 ? 98 TYR D N 1 ATOM 5212 C CA . TYR D 4 99 ? -63.179 -34.912 12.994 1.00 32.72 ? 98 TYR D CA 1 ATOM 5213 C C . TYR D 4 99 ? -64.107 -36.148 13.089 1.00 33.22 ? 98 TYR D C 1 ATOM 5214 O O . TYR D 4 99 ? -63.824 -37.056 13.873 1.00 33.49 ? 98 TYR D O 1 ATOM 5215 C CB . TYR D 4 99 ? -63.213 -34.075 14.289 1.00 32.67 ? 98 TYR D CB 1 ATOM 5216 C CG . TYR D 4 99 ? -64.466 -33.281 14.470 1.00 34.18 ? 98 TYR D CG 1 ATOM 5217 C CD1 . TYR D 4 99 ? -64.479 -31.922 14.275 1.00 34.06 ? 98 TYR D CD1 1 ATOM 5218 C CD2 . TYR D 4 99 ? -65.657 -33.910 14.847 1.00 37.08 ? 98 TYR D CD2 1 ATOM 5219 C CE1 . TYR D 4 99 ? -65.631 -31.196 14.440 1.00 38.47 ? 98 TYR D CE1 1 ATOM 5220 C CE2 . TYR D 4 99 ? -66.814 -33.196 15.018 1.00 37.37 ? 98 TYR D CE2 1 ATOM 5221 C CZ . TYR D 4 99 ? -66.798 -31.849 14.828 1.00 40.20 ? 98 TYR D CZ 1 ATOM 5222 O OH . TYR D 4 99 ? -67.967 -31.156 15.000 1.00 44.06 ? 98 TYR D OH 1 ATOM 5223 N N . THR D 4 100 ? -65.150 -36.207 12.261 1.00 33.41 ? 99 THR D N 1 ATOM 5224 C CA . THR D 4 100 ? -66.158 -37.244 12.362 1.00 33.14 ? 99 THR D CA 1 ATOM 5225 C C . THR D 4 100 ? -65.692 -38.582 11.811 1.00 31.07 ? 99 THR D C 1 ATOM 5226 O O . THR D 4 100 ? -65.195 -38.635 10.708 1.00 31.43 ? 99 THR D O 1 ATOM 5227 C CB . THR D 4 100 ? -67.432 -36.862 11.591 1.00 34.70 ? 99 THR D CB 1 ATOM 5228 O OG1 . THR D 4 100 ? -67.878 -35.611 12.059 1.00 37.09 ? 99 THR D OG1 1 ATOM 5229 C CG2 . THR D 4 100 ? -68.547 -37.878 11.844 1.00 35.89 ? 99 THR D CG2 1 ATOM 5230 N N . GLN D 4 101 ? -65.886 -39.660 12.568 1.00 28.95 ? 100 GLN D N 1 ATOM 5231 C CA . GLN D 4 101 ? -65.654 -41.007 12.035 1.00 27.43 ? 100 GLN D CA 1 ATOM 5232 C C . GLN D 4 101 ? -66.990 -41.711 11.776 1.00 28.55 ? 100 GLN D C 1 ATOM 5233 O O . GLN D 4 101 ? -67.912 -41.628 12.571 1.00 29.01 ? 100 GLN D O 1 ATOM 5234 C CB . GLN D 4 101 ? -64.755 -41.795 12.980 1.00 26.59 ? 100 GLN D CB 1 ATOM 5235 C CG . GLN D 4 101 ? -63.307 -41.216 13.017 1.00 26.55 ? 100 GLN D CG 1 ATOM 5236 C CD . GLN D 4 101 ? -62.325 -42.119 13.755 1.00 27.97 ? 100 GLN D CD 1 ATOM 5237 O OE1 . GLN D 4 101 ? -62.617 -43.280 14.022 1.00 25.45 ? 100 GLN D OE1 1 ATOM 5238 N NE2 . GLN D 4 101 ? -61.153 -41.582 14.087 1.00 25.97 ? 100 GLN D NE2 1 ATOM 5239 N N . TYR D 4 102 ? -67.125 -42.363 10.632 1.00 28.46 ? 101 TYR D N 1 ATOM 5240 C CA . TYR D 4 102 ? -68.402 -42.964 10.290 1.00 29.28 ? 101 TYR D CA 1 ATOM 5241 C C . TYR D 4 102 ? -68.313 -44.471 10.546 1.00 28.09 ? 101 TYR D C 1 ATOM 5242 O O . TYR D 4 102 ? -67.554 -45.168 9.861 1.00 27.68 ? 101 TYR D O 1 ATOM 5243 C CB . TYR D 4 102 ? -68.760 -42.616 8.844 1.00 31.02 ? 101 TYR D CB 1 ATOM 5244 C CG . TYR D 4 102 ? -68.968 -41.127 8.644 1.00 32.73 ? 101 TYR D CG 1 ATOM 5245 C CD1 . TYR D 4 102 ? -70.249 -40.553 8.774 1.00 32.75 ? 101 TYR D CD1 1 ATOM 5246 C CD2 . TYR D 4 102 ? -67.890 -40.275 8.345 1.00 31.47 ? 101 TYR D CD2 1 ATOM 5247 C CE1 . TYR D 4 102 ? -70.436 -39.195 8.622 1.00 34.37 ? 101 TYR D CE1 1 ATOM 5248 C CE2 . TYR D 4 102 ? -68.087 -38.897 8.191 1.00 32.07 ? 101 TYR D CE2 1 ATOM 5249 C CZ . TYR D 4 102 ? -69.365 -38.374 8.336 1.00 34.72 ? 101 TYR D CZ 1 ATOM 5250 O OH . TYR D 4 102 ? -69.583 -37.009 8.175 1.00 40.23 ? 101 TYR D OH 1 ATOM 5251 N N . PHE D 4 103 ? -69.041 -44.985 11.539 1.00 27.81 ? 102 PHE D N 1 ATOM 5252 C CA . PHE D 4 103 ? -68.834 -46.411 11.937 1.00 27.05 ? 102 PHE D CA 1 ATOM 5253 C C . PHE D 4 103 ? -69.571 -47.430 11.099 1.00 28.37 ? 102 PHE D C 1 ATOM 5254 O O . PHE D 4 103 ? -70.673 -47.182 10.689 1.00 29.35 ? 102 PHE D O 1 ATOM 5255 C CB . PHE D 4 103 ? -69.089 -46.632 13.427 1.00 25.98 ? 102 PHE D CB 1 ATOM 5256 C CG . PHE D 4 103 ? -68.003 -46.026 14.275 1.00 27.31 ? 102 PHE D CG 1 ATOM 5257 C CD1 . PHE D 4 103 ? -68.026 -44.675 14.581 1.00 25.25 ? 102 PHE D CD1 1 ATOM 5258 C CD2 . PHE D 4 103 ? -66.900 -46.784 14.663 1.00 24.86 ? 102 PHE D CD2 1 ATOM 5259 C CE1 . PHE D 4 103 ? -66.993 -44.106 15.300 1.00 24.81 ? 102 PHE D CE1 1 ATOM 5260 C CE2 . PHE D 4 103 ? -65.867 -46.205 15.394 1.00 25.27 ? 102 PHE D CE2 1 ATOM 5261 C CZ . PHE D 4 103 ? -65.926 -44.870 15.713 1.00 24.54 ? 102 PHE D CZ 1 ATOM 5262 N N . GLY D 4 104 ? -68.897 -48.549 10.803 1.00 28.17 ? 103 GLY D N 1 ATOM 5263 C CA . GLY D 4 104 ? -69.551 -49.739 10.272 1.00 29.67 ? 103 GLY D CA 1 ATOM 5264 C C . GLY D 4 104 ? -70.469 -50.344 11.329 1.00 30.85 ? 103 GLY D C 1 ATOM 5265 O O . GLY D 4 104 ? -70.522 -49.844 12.450 1.00 30.99 ? 103 GLY D O 1 ATOM 5266 N N . PRO D 4 105 ? -71.182 -51.438 10.992 1.00 31.60 ? 104 PRO D N 1 ATOM 5267 C CA . PRO D 4 105 ? -72.170 -52.001 11.912 1.00 32.24 ? 104 PRO D CA 1 ATOM 5268 C C . PRO D 4 105 ? -71.643 -53.069 12.855 1.00 30.96 ? 104 PRO D C 1 ATOM 5269 O O . PRO D 4 105 ? -72.396 -53.589 13.687 1.00 32.01 ? 104 PRO D O 1 ATOM 5270 C CB . PRO D 4 105 ? -73.214 -52.617 10.958 1.00 34.56 ? 104 PRO D CB 1 ATOM 5271 C CG . PRO D 4 105 ? -72.467 -52.969 9.772 1.00 34.02 ? 104 PRO D CG 1 ATOM 5272 C CD . PRO D 4 105 ? -71.341 -51.971 9.628 1.00 33.07 ? 104 PRO D CD 1 ATOM 5273 N N . GLY D 4 106 ? -70.382 -53.445 12.693 1.00 29.44 ? 105 GLY D N 1 ATOM 5274 C CA . GLY D 4 106 ? -69.790 -54.403 13.591 1.00 28.58 ? 105 GLY D CA 1 ATOM 5275 C C . GLY D 4 106 ? -69.740 -55.823 13.069 1.00 29.65 ? 105 GLY D C 1 ATOM 5276 O O . GLY D 4 106 ? -70.638 -56.268 12.360 1.00 30.54 ? 105 GLY D O 1 ATOM 5277 N N . THR D 4 107 ? -68.679 -56.533 13.459 1.00 27.93 ? 106 THR D N 1 ATOM 5278 C CA . THR D 4 107 ? -68.527 -57.924 13.155 1.00 28.17 ? 106 THR D CA 1 ATOM 5279 C C . THR D 4 107 ? -68.296 -58.665 14.455 1.00 27.45 ? 106 THR D C 1 ATOM 5280 O O . THR D 4 107 ? -67.391 -58.324 15.191 1.00 27.19 ? 106 THR D O 1 ATOM 5281 C CB . THR D 4 107 ? -67.271 -58.134 12.245 1.00 27.95 ? 106 THR D CB 1 ATOM 5282 O OG1 . THR D 4 107 ? -67.466 -57.473 10.988 1.00 32.27 ? 106 THR D OG1 1 ATOM 5283 C CG2 . THR D 4 107 ? -67.014 -59.601 11.989 1.00 26.85 ? 106 THR D CG2 1 ATOM 5284 N N . ARG D 4 108 ? -69.052 -59.718 14.698 1.00 28.26 ? 107 ARG D N 1 ATOM 5285 C CA . ARG D 4 108 ? -68.875 -60.521 15.897 1.00 29.66 ? 107 ARG D CA 1 ATOM 5286 C C . ARG D 4 108 ? -67.961 -61.683 15.599 1.00 28.47 ? 107 ARG D C 1 ATOM 5287 O O . ARG D 4 108 ? -68.253 -62.515 14.739 1.00 29.27 ? 107 ARG D O 1 ATOM 5288 C CB . ARG D 4 108 ? -70.224 -61.018 16.433 1.00 31.19 ? 107 ARG D CB 1 ATOM 5289 C CG . ARG D 4 108 ? -71.296 -59.933 16.507 1.00 39.23 ? 107 ARG D CG 1 ATOM 5290 C CD . ARG D 4 108 ? -72.712 -60.481 16.900 1.00 51.73 ? 107 ARG D CD 1 ATOM 5291 N NE . ARG D 4 108 ? -73.251 -59.762 18.066 1.00 61.01 ? 107 ARG D NE 1 ATOM 5292 C CZ . ARG D 4 108 ? -72.787 -59.906 19.317 1.00 65.11 ? 107 ARG D CZ 1 ATOM 5293 N NH1 . ARG D 4 108 ? -71.778 -60.754 19.584 1.00 64.77 ? 107 ARG D NH1 1 ATOM 5294 N NH2 . ARG D 4 108 ? -73.324 -59.203 20.308 1.00 66.61 ? 107 ARG D NH2 1 ATOM 5295 N N . LEU D 4 109 ? -66.839 -61.740 16.297 1.00 27.11 ? 108 LEU D N 1 ATOM 5296 C CA . LEU D 4 109 ? -65.945 -62.866 16.123 1.00 26.53 ? 108 LEU D CA 1 ATOM 5297 C C . LEU D 4 109 ? -65.823 -63.737 17.380 1.00 27.44 ? 108 LEU D C 1 ATOM 5298 O O . LEU D 4 109 ? -65.600 -63.254 18.489 1.00 28.03 ? 108 LEU D O 1 ATOM 5299 C CB . LEU D 4 109 ? -64.578 -62.399 15.631 1.00 24.88 ? 108 LEU D CB 1 ATOM 5300 C CG . LEU D 4 109 ? -63.539 -63.520 15.560 1.00 26.54 ? 108 LEU D CG 1 ATOM 5301 C CD1 . LEU D 4 109 ? -63.818 -64.420 14.354 1.00 23.96 ? 108 LEU D CD1 1 ATOM 5302 C CD2 . LEU D 4 109 ? -62.112 -62.911 15.506 1.00 26.03 ? 108 LEU D CD2 1 ATOM 5303 N N . LEU D 4 110 ? -65.968 -65.040 17.192 1.00 28.17 ? 109 LEU D N 1 ATOM 5304 C CA . LEU D 4 110 ? -65.726 -65.991 18.254 1.00 28.40 ? 109 LEU D CA 1 ATOM 5305 C C . LEU D 4 110 ? -64.663 -66.936 17.769 1.00 29.46 ? 109 LEU D C 1 ATOM 5306 O O . LEU D 4 110 ? -64.842 -67.574 16.734 1.00 30.22 ? 109 LEU D O 1 ATOM 5307 C CB . LEU D 4 110 ? -67.006 -66.757 18.610 1.00 29.01 ? 109 LEU D CB 1 ATOM 5308 C CG . LEU D 4 110 ? -66.854 -67.968 19.544 1.00 31.68 ? 109 LEU D CG 1 ATOM 5309 C CD1 . LEU D 4 110 ? -66.390 -67.574 20.956 1.00 31.32 ? 109 LEU D CD1 1 ATOM 5310 C CD2 . LEU D 4 110 ? -68.163 -68.737 19.628 1.00 27.72 ? 109 LEU D CD2 1 ATOM 5311 N N . VAL D 4 111 ? -63.541 -66.996 18.497 1.00 30.01 ? 110 VAL D N 1 ATOM 5312 C CA . VAL D 4 111 ? -62.484 -67.978 18.257 1.00 30.83 ? 110 VAL D CA 1 ATOM 5313 C C . VAL D 4 111 ? -62.571 -69.088 19.287 1.00 33.08 ? 110 VAL D C 1 ATOM 5314 O O . VAL D 4 111 ? -62.290 -68.852 20.452 1.00 34.37 ? 110 VAL D O 1 ATOM 5315 C CB . VAL D 4 111 ? -61.105 -67.333 18.408 1.00 31.19 ? 110 VAL D CB 1 ATOM 5316 C CG1 . VAL D 4 111 ? -60.024 -68.190 17.828 1.00 30.17 ? 110 VAL D CG1 1 ATOM 5317 C CG2 . VAL D 4 111 ? -61.084 -65.926 17.779 1.00 29.17 ? 110 VAL D CG2 1 ATOM 5318 N N . LEU D 4 112 ? -62.975 -70.286 18.870 1.00 34.57 ? 111 LEU D N 1 ATOM 5319 C CA . LEU D 4 112 ? -63.008 -71.459 19.756 1.00 37.46 ? 111 LEU D CA 1 ATOM 5320 C C . LEU D 4 112 ? -61.701 -72.234 19.736 1.00 39.67 ? 111 LEU D C 1 ATOM 5321 O O . LEU D 4 112 ? -60.958 -72.201 18.753 1.00 39.83 ? 111 LEU D O 1 ATOM 5322 C CB . LEU D 4 112 ? -64.137 -72.415 19.385 1.00 37.91 ? 111 LEU D CB 1 ATOM 5323 C CG . LEU D 4 112 ? -65.548 -71.839 19.492 1.00 37.81 ? 111 LEU D CG 1 ATOM 5324 C CD1 . LEU D 4 112 ? -66.563 -72.664 18.666 1.00 35.76 ? 111 LEU D CD1 1 ATOM 5325 C CD2 . LEU D 4 112 ? -65.967 -71.722 20.937 1.00 37.41 ? 111 LEU D CD2 1 ATOM 5326 N N . GLU D 4 113 ? -61.410 -72.936 20.823 1.00 42.20 ? 112 GLU D N 1 ATOM 5327 C CA . GLU D 4 113 ? -60.206 -73.726 20.848 1.00 45.15 ? 112 GLU D CA 1 ATOM 5328 C C . GLU D 4 113 ? -60.346 -74.979 20.019 1.00 45.34 ? 112 GLU D C 1 ATOM 5329 O O . GLU D 4 113 ? -59.352 -75.568 19.599 1.00 46.33 ? 112 GLU D O 1 ATOM 5330 C CB . GLU D 4 113 ? -59.766 -74.031 22.280 1.00 49.16 ? 112 GLU D CB 1 ATOM 5331 C CG . GLU D 4 113 ? -58.528 -73.147 22.653 1.00 54.75 ? 112 GLU D CG 1 ATOM 5332 C CD . GLU D 4 113 ? -58.450 -72.782 24.130 1.00 61.62 ? 112 GLU D CD 1 ATOM 5333 O OE1 . GLU D 4 113 ? -58.719 -73.667 24.973 1.00 63.81 ? 112 GLU D OE1 1 ATOM 5334 O OE2 . GLU D 4 113 ? -58.115 -71.604 24.437 1.00 64.43 ? 112 GLU D OE2 1 ATOM 5335 N N . ASP D 4 114 ? -61.586 -75.356 19.748 1.00 43.88 ? 113 ASP D N 1 ATOM 5336 C CA . ASP D 4 114 ? -61.834 -76.559 19.004 1.00 45.50 ? 113 ASP D CA 1 ATOM 5337 C C . ASP D 4 114 ? -63.248 -76.568 18.417 1.00 43.22 ? 113 ASP D C 1 ATOM 5338 O O . ASP D 4 114 ? -64.199 -76.083 19.034 1.00 42.24 ? 113 ASP D O 1 ATOM 5339 C CB . ASP D 4 114 ? -61.511 -77.751 19.915 1.00 48.54 ? 113 ASP D CB 1 ATOM 5340 C CG . ASP D 4 114 ? -62.019 -79.041 19.402 1.00 54.64 ? 113 ASP D CG 1 ATOM 5341 O OD1 . ASP D 4 114 ? -63.159 -79.369 19.780 1.00 60.22 ? 113 ASP D OD1 1 ATOM 5342 O OD2 . ASP D 4 114 ? -61.284 -79.772 18.690 1.00 61.18 ? 113 ASP D OD2 1 ATOM 5343 N N . LEU D 4 115 ? -63.365 -77.112 17.212 1.00 43.51 ? 114 LEU D N 1 ATOM 5344 C CA . LEU D 4 115 ? -64.606 -77.039 16.457 1.00 40.14 ? 114 LEU D CA 1 ATOM 5345 C C . LEU D 4 115 ? -65.507 -78.244 16.662 1.00 39.82 ? 114 LEU D C 1 ATOM 5346 O O . LEU D 4 115 ? -66.592 -78.304 16.094 1.00 37.99 ? 114 LEU D O 1 ATOM 5347 C CB . LEU D 4 115 ? -64.320 -76.805 14.968 1.00 38.58 ? 114 LEU D CB 1 ATOM 5348 C CG . LEU D 4 115 ? -63.655 -75.453 14.642 1.00 40.15 ? 114 LEU D CG 1 ATOM 5349 C CD1 . LEU D 4 115 ? -63.390 -75.301 13.144 1.00 42.04 ? 114 LEU D CD1 1 ATOM 5350 C CD2 . LEU D 4 115 ? -64.477 -74.261 15.120 1.00 36.86 ? 114 LEU D CD2 1 ATOM 5351 N N . ARG D 4 116 ? -65.066 -79.187 17.491 1.00 42.18 ? 115 ARG D N 1 ATOM 5352 C CA . ARG D 4 116 ? -65.713 -80.498 17.578 1.00 43.19 ? 115 ARG D CA 1 ATOM 5353 C C . ARG D 4 116 ? -67.196 -80.504 17.982 1.00 41.75 ? 115 ARG D C 1 ATOM 5354 O O . ARG D 4 116 ? -67.914 -81.423 17.605 1.00 41.81 ? 115 ARG D O 1 ATOM 5355 C CB . ARG D 4 116 ? -64.913 -81.455 18.467 1.00 46.83 ? 115 ARG D CB 1 ATOM 5356 C CG . ARG D 4 116 ? -65.130 -81.234 19.949 1.00 49.89 ? 115 ARG D CG 1 ATOM 5357 C CD . ARG D 4 116 ? -64.088 -81.983 20.845 1.00 56.51 ? 115 ARG D CD 1 ATOM 5358 N NE . ARG D 4 116 ? -63.771 -81.150 22.015 1.00 59.31 ? 115 ARG D NE 1 ATOM 5359 C CZ . ARG D 4 116 ? -64.497 -81.112 23.128 1.00 60.32 ? 115 ARG D CZ 1 ATOM 5360 N NH1 . ARG D 4 116 ? -65.561 -81.893 23.254 1.00 62.17 ? 115 ARG D NH1 1 ATOM 5361 N NH2 . ARG D 4 116 ? -64.155 -80.301 24.116 1.00 62.19 ? 115 ARG D NH2 1 ATOM 5362 N N . ASN D 4 117 ? -67.660 -79.491 18.719 1.00 40.70 ? 116 ASN D N 1 ATOM 5363 C CA . ASN D 4 117 ? -69.055 -79.483 19.193 1.00 39.86 ? 116 ASN D CA 1 ATOM 5364 C C . ASN D 4 117 ? -69.984 -78.593 18.358 1.00 36.48 ? 116 ASN D C 1 ATOM 5365 O O . ASN D 4 117 ? -71.194 -78.510 18.630 1.00 35.36 ? 116 ASN D O 1 ATOM 5366 C CB . ASN D 4 117 ? -69.125 -79.081 20.670 1.00 41.96 ? 116 ASN D CB 1 ATOM 5367 C CG . ASN D 4 117 ? -68.650 -80.189 21.612 1.00 47.96 ? 116 ASN D CG 1 ATOM 5368 O OD1 . ASN D 4 117 ? -67.937 -79.924 22.597 1.00 53.27 ? 116 ASN D OD1 1 ATOM 5369 N ND2 . ASN D 4 117 ? -69.034 -81.440 21.314 1.00 49.79 ? 116 ASN D ND2 1 ATOM 5370 N N . VAL D 4 118 ? -69.437 -77.949 17.324 1.00 34.41 ? 117 VAL D N 1 ATOM 5371 C CA . VAL D 4 118 ? -70.261 -77.059 16.479 1.00 32.08 ? 117 VAL D CA 1 ATOM 5372 C C . VAL D 4 118 ? -71.425 -77.879 15.909 1.00 31.99 ? 117 VAL D C 1 ATOM 5373 O O . VAL D 4 118 ? -71.222 -78.994 15.465 1.00 32.32 ? 117 VAL D O 1 ATOM 5374 C CB . VAL D 4 118 ? -69.397 -76.350 15.383 1.00 30.96 ? 117 VAL D CB 1 ATOM 5375 C CG1 . VAL D 4 118 ? -70.257 -75.519 14.446 1.00 28.26 ? 117 VAL D CG1 1 ATOM 5376 C CG2 . VAL D 4 118 ? -68.313 -75.465 16.063 1.00 30.27 ? 117 VAL D CG2 1 ATOM 5377 N N . THR D 4 119 ? -72.642 -77.325 15.965 1.00 31.50 ? 118 THR D N 1 ATOM 5378 C CA . THR D 4 119 ? -73.859 -78.041 15.603 1.00 31.62 ? 118 THR D CA 1 ATOM 5379 C C . THR D 4 119 ? -74.941 -77.032 15.213 1.00 29.54 ? 118 THR D C 1 ATOM 5380 O O . THR D 4 119 ? -75.203 -76.096 15.964 1.00 28.94 ? 118 THR D O 1 ATOM 5381 C CB . THR D 4 119 ? -74.403 -78.880 16.803 1.00 33.43 ? 118 THR D CB 1 ATOM 5382 O OG1 . THR D 4 119 ? -73.325 -79.598 17.416 1.00 38.67 ? 118 THR D OG1 1 ATOM 5383 C CG2 . THR D 4 119 ? -75.447 -79.852 16.344 1.00 33.10 ? 118 THR D CG2 1 ATOM 5384 N N . PRO D 4 120 ? -75.588 -77.229 14.052 1.00 29.39 ? 119 PRO D N 1 ATOM 5385 C CA . PRO D 4 120 ? -76.606 -76.252 13.669 1.00 28.04 ? 119 PRO D CA 1 ATOM 5386 C C . PRO D 4 120 ? -77.929 -76.518 14.408 1.00 28.95 ? 119 PRO D C 1 ATOM 5387 O O . PRO D 4 120 ? -78.118 -77.612 14.950 1.00 30.27 ? 119 PRO D O 1 ATOM 5388 C CB . PRO D 4 120 ? -76.747 -76.473 12.171 1.00 26.88 ? 119 PRO D CB 1 ATOM 5389 C CG . PRO D 4 120 ? -76.514 -77.924 11.990 1.00 29.00 ? 119 PRO D CG 1 ATOM 5390 C CD . PRO D 4 120 ? -75.412 -78.265 13.007 1.00 30.42 ? 119 PRO D CD 1 ATOM 5391 N N . PRO D 4 121 ? -78.827 -75.513 14.449 1.00 28.28 ? 120 PRO D N 1 ATOM 5392 C CA . PRO D 4 121 ? -80.085 -75.681 15.198 1.00 29.76 ? 120 PRO D CA 1 ATOM 5393 C C . PRO D 4 121 ? -81.115 -76.522 14.493 1.00 30.99 ? 120 PRO D C 1 ATOM 5394 O O . PRO D 4 121 ? -81.076 -76.651 13.253 1.00 32.02 ? 120 PRO D O 1 ATOM 5395 C CB . PRO D 4 121 ? -80.625 -74.249 15.308 1.00 28.27 ? 120 PRO D CB 1 ATOM 5396 C CG . PRO D 4 121 ? -80.039 -73.526 14.083 1.00 26.84 ? 120 PRO D CG 1 ATOM 5397 C CD . PRO D 4 121 ? -78.672 -74.162 13.888 1.00 25.89 ? 120 PRO D CD 1 ATOM 5398 N N . LYS D 4 122 ? -82.027 -77.100 15.271 1.00 32.79 ? 121 LYS D N 1 ATOM 5399 C CA . LYS D 4 122 ? -83.341 -77.503 14.751 1.00 33.84 ? 121 LYS D CA 1 ATOM 5400 C C . LYS D 4 122 ? -84.315 -76.341 14.973 1.00 31.82 ? 121 LYS D C 1 ATOM 5401 O O . LYS D 4 122 ? -84.237 -75.636 15.991 1.00 31.11 ? 121 LYS D O 1 ATOM 5402 C CB . LYS D 4 122 ? -83.883 -78.749 15.445 1.00 36.52 ? 121 LYS D CB 1 ATOM 5403 C CG . LYS D 4 122 ? -83.115 -80.029 15.039 1.00 43.81 ? 121 LYS D CG 1 ATOM 5404 C CD . LYS D 4 122 ? -83.791 -81.307 15.631 1.00 50.26 ? 121 LYS D CD 1 ATOM 5405 C CE . LYS D 4 122 ? -82.761 -82.362 16.080 1.00 55.37 ? 121 LYS D CE 1 ATOM 5406 N NZ . LYS D 4 122 ? -83.403 -83.552 16.773 1.00 60.61 ? 121 LYS D NZ 1 ATOM 5407 N N . VAL D 4 123 ? -85.226 -76.135 14.035 1.00 30.14 ? 122 VAL D N 1 ATOM 5408 C CA . VAL D 4 123 ? -86.141 -75.050 14.169 1.00 28.74 ? 122 VAL D CA 1 ATOM 5409 C C . VAL D 4 123 ? -87.566 -75.538 13.998 1.00 30.43 ? 122 VAL D C 1 ATOM 5410 O O . VAL D 4 123 ? -87.881 -76.232 13.035 1.00 30.68 ? 122 VAL D O 1 ATOM 5411 C CB . VAL D 4 123 ? -85.826 -73.958 13.140 1.00 27.62 ? 122 VAL D CB 1 ATOM 5412 C CG1 . VAL D 4 123 ? -86.859 -72.819 13.222 1.00 26.42 ? 122 VAL D CG1 1 ATOM 5413 C CG2 . VAL D 4 123 ? -84.395 -73.421 13.342 1.00 27.12 ? 122 VAL D CG2 1 ATOM 5414 N N . SER D 4 124 ? -88.424 -75.164 14.945 1.00 30.53 ? 123 SER D N 1 ATOM 5415 C CA . SER D 4 124 ? -89.829 -75.504 14.900 1.00 31.85 ? 123 SER D CA 1 ATOM 5416 C C . SER D 4 124 ? -90.661 -74.235 15.070 1.00 31.70 ? 123 SER D C 1 ATOM 5417 O O . SER D 4 124 ? -90.306 -73.310 15.841 1.00 31.68 ? 123 SER D O 1 ATOM 5418 C CB . SER D 4 124 ? -90.175 -76.493 16.010 1.00 34.67 ? 123 SER D CB 1 ATOM 5419 O OG . SER D 4 124 ? -89.247 -77.546 16.063 1.00 35.09 ? 123 SER D OG 1 ATOM 5420 N N . LEU D 4 125 ? -91.775 -74.190 14.359 1.00 32.43 ? 124 LEU D N 1 ATOM 5421 C CA . LEU D 4 125 ? -92.698 -73.082 14.444 1.00 32.08 ? 124 LEU D CA 1 ATOM 5422 C C . LEU D 4 125 ? -93.968 -73.615 15.079 1.00 34.32 ? 124 LEU D C 1 ATOM 5423 O O . LEU D 4 125 ? -94.485 -74.656 14.668 1.00 36.80 ? 124 LEU D O 1 ATOM 5424 C CB . LEU D 4 125 ? -92.935 -72.508 13.056 1.00 31.35 ? 124 LEU D CB 1 ATOM 5425 C CG . LEU D 4 125 ? -93.958 -71.376 12.963 1.00 34.34 ? 124 LEU D CG 1 ATOM 5426 C CD1 . LEU D 4 125 ? -93.558 -70.220 13.858 1.00 33.98 ? 124 LEU D CD1 1 ATOM 5427 C CD2 . LEU D 4 125 ? -94.098 -70.929 11.529 1.00 34.43 ? 124 LEU D CD2 1 ATOM 5428 N N . PHE D 4 126 ? -94.438 -72.938 16.127 1.00 34.79 ? 125 PHE D N 1 ATOM 5429 C CA . PHE D 4 126 ? -95.682 -73.314 16.824 1.00 35.68 ? 125 PHE D CA 1 ATOM 5430 C C . PHE D 4 126 ? -96.801 -72.330 16.538 1.00 36.37 ? 125 PHE D C 1 ATOM 5431 O O . PHE D 4 126 ? -96.611 -71.105 16.599 1.00 34.18 ? 125 PHE D O 1 ATOM 5432 C CB . PHE D 4 126 ? -95.446 -73.442 18.329 1.00 37.19 ? 125 PHE D CB 1 ATOM 5433 C CG . PHE D 4 126 ? -94.416 -74.459 18.664 1.00 36.29 ? 125 PHE D CG 1 ATOM 5434 C CD1 . PHE D 4 126 ? -93.072 -74.144 18.580 1.00 32.09 ? 125 PHE D CD1 1 ATOM 5435 C CD2 . PHE D 4 126 ? -94.789 -75.757 18.964 1.00 37.13 ? 125 PHE D CD2 1 ATOM 5436 C CE1 . PHE D 4 126 ? -92.114 -75.090 18.842 1.00 33.97 ? 125 PHE D CE1 1 ATOM 5437 C CE2 . PHE D 4 126 ? -93.844 -76.726 19.218 1.00 38.25 ? 125 PHE D CE2 1 ATOM 5438 C CZ . PHE D 4 126 ? -92.497 -76.397 19.154 1.00 38.45 ? 125 PHE D CZ 1 ATOM 5439 N N . GLU D 4 127 ? -97.983 -72.875 16.269 1.00 39.13 ? 126 GLU D N 1 ATOM 5440 C CA . GLU D 4 127 ? -99.112 -72.080 15.793 1.00 40.62 ? 126 GLU D CA 1 ATOM 5441 C C . GLU D 4 127 ? -100.068 -71.674 16.922 1.00 42.30 ? 126 GLU D C 1 ATOM 5442 O O . GLU D 4 127 ? -100.389 -72.498 17.784 1.00 45.92 ? 126 GLU D O 1 ATOM 5443 C CB . GLU D 4 127 ? -99.904 -72.849 14.729 1.00 42.28 ? 126 GLU D CB 1 ATOM 5444 C CG . GLU D 4 127 ? -99.110 -73.133 13.453 1.00 43.21 ? 126 GLU D CG 1 ATOM 5445 C CD . GLU D 4 127 ? -99.950 -73.829 12.406 1.00 47.30 ? 126 GLU D CD 1 ATOM 5446 O OE1 . GLU D 4 127 ? -101.189 -73.661 12.381 1.00 50.74 ? 126 GLU D OE1 1 ATOM 5447 O OE2 . GLU D 4 127 ? -99.360 -74.546 11.595 1.00 51.19 ? 126 GLU D OE2 1 ATOM 5448 N N . PRO D 4 128 ? -100.540 -70.412 16.886 1.00 40.94 ? 127 PRO D N 1 ATOM 5449 C CA . PRO D 4 128 ? -101.503 -69.787 17.759 1.00 42.18 ? 127 PRO D CA 1 ATOM 5450 C C . PRO D 4 128 ? -102.541 -70.728 18.328 1.00 45.32 ? 127 PRO D C 1 ATOM 5451 O O . PRO D 4 128 ? -103.119 -71.536 17.618 1.00 45.72 ? 127 PRO D O 1 ATOM 5452 C CB . PRO D 4 128 ? -102.187 -68.785 16.842 1.00 41.81 ? 127 PRO D CB 1 ATOM 5453 C CG . PRO D 4 128 ? -101.205 -68.580 15.657 1.00 39.50 ? 127 PRO D CG 1 ATOM 5454 C CD . PRO D 4 128 ? -100.042 -69.450 15.891 1.00 37.99 ? 127 PRO D CD 1 ATOM 5455 N N . SER D 4 129 ? -102.737 -70.594 19.634 1.00 47.41 ? 128 SER D N 1 ATOM 5456 C CA . SER D 4 129 ? -103.803 -71.221 20.393 1.00 51.10 ? 128 SER D CA 1 ATOM 5457 C C . SER D 4 129 ? -105.123 -70.622 19.972 1.00 52.01 ? 128 SER D C 1 ATOM 5458 O O . SER D 4 129 ? -105.259 -69.402 19.908 1.00 51.13 ? 128 SER D O 1 ATOM 5459 C CB . SER D 4 129 ? -103.554 -70.967 21.881 1.00 52.62 ? 128 SER D CB 1 ATOM 5460 O OG . SER D 4 129 ? -104.716 -71.193 22.651 1.00 58.23 ? 128 SER D OG 1 ATOM 5461 N N . LYS D 4 130 ? -106.092 -71.485 19.670 1.00 54.98 ? 129 LYS D N 1 ATOM 5462 C CA . LYS D 4 130 ? -107.460 -71.049 19.344 1.00 56.66 ? 129 LYS D CA 1 ATOM 5463 C C . LYS D 4 130 ? -108.054 -70.310 20.538 1.00 58.39 ? 129 LYS D C 1 ATOM 5464 O O . LYS D 4 130 ? -108.829 -69.364 20.379 1.00 59.09 ? 129 LYS D O 1 ATOM 5465 C CB . LYS D 4 130 ? -108.348 -72.249 18.972 1.00 60.20 ? 129 LYS D CB 1 ATOM 5466 N N . ALA D 4 131 ? -107.674 -70.754 21.733 1.00 59.32 ? 130 ALA D N 1 ATOM 5467 C CA . ALA D 4 131 ? -108.106 -70.114 22.966 1.00 61.51 ? 130 ALA D CA 1 ATOM 5468 C C . ALA D 4 131 ? -107.572 -68.687 23.103 1.00 58.86 ? 130 ALA D C 1 ATOM 5469 O O . ALA D 4 131 ? -108.304 -67.815 23.552 1.00 60.38 ? 130 ALA D O 1 ATOM 5470 C CB . ALA D 4 131 ? -107.745 -70.965 24.175 1.00 64.22 ? 130 ALA D CB 1 ATOM 5471 N N . GLU D 4 132 ? -106.313 -68.443 22.717 1.00 55.16 ? 131 GLU D N 1 ATOM 5472 C CA . GLU D 4 132 ? -105.787 -67.079 22.681 1.00 53.15 ? 131 GLU D CA 1 ATOM 5473 C C . GLU D 4 132 ? -106.603 -66.230 21.711 1.00 52.45 ? 131 GLU D C 1 ATOM 5474 O O . GLU D 4 132 ? -107.008 -65.122 22.042 1.00 53.23 ? 131 GLU D O 1 ATOM 5475 C CB . GLU D 4 132 ? -104.305 -67.036 22.259 1.00 50.18 ? 131 GLU D CB 1 ATOM 5476 C CG . GLU D 4 132 ? -103.772 -65.611 22.207 1.00 48.96 ? 131 GLU D CG 1 ATOM 5477 C CD . GLU D 4 132 ? -102.387 -65.456 21.595 1.00 48.14 ? 131 GLU D CD 1 ATOM 5478 O OE1 . GLU D 4 132 ? -101.829 -66.415 21.000 1.00 49.07 ? 131 GLU D OE1 1 ATOM 5479 O OE2 . GLU D 4 132 ? -101.852 -64.333 21.712 1.00 46.80 ? 131 GLU D OE2 1 ATOM 5480 N N . ILE D 4 133 ? -106.820 -66.754 20.504 1.00 51.03 ? 132 ILE D N 1 ATOM 5481 C CA . ILE D 4 133 ? -107.573 -66.039 19.476 1.00 50.19 ? 132 ILE D CA 1 ATOM 5482 C C . ILE D 4 133 ? -108.950 -65.571 19.971 1.00 54.13 ? 132 ILE D C 1 ATOM 5483 O O . ILE D 4 133 ? -109.334 -64.433 19.710 1.00 54.42 ? 132 ILE D O 1 ATOM 5484 C CB . ILE D 4 133 ? -107.680 -66.874 18.167 1.00 48.96 ? 132 ILE D CB 1 ATOM 5485 C CG1 . ILE D 4 133 ? -106.282 -66.939 17.516 1.00 45.72 ? 132 ILE D CG1 1 ATOM 5486 C CG2 . ILE D 4 133 ? -108.713 -66.268 17.211 1.00 46.06 ? 132 ILE D CG2 1 ATOM 5487 C CD1 . ILE D 4 133 ? -106.120 -67.978 16.424 1.00 45.42 ? 132 ILE D CD1 1 ATOM 5488 N N . SER D 4 134 ? -109.677 -66.432 20.686 1.00 57.14 ? 133 SER D N 1 ATOM 5489 C CA . SER D 4 134 ? -111.007 -66.067 21.137 1.00 60.98 ? 133 SER D CA 1 ATOM 5490 C C . SER D 4 134 ? -110.990 -65.154 22.372 1.00 62.53 ? 133 SER D C 1 ATOM 5491 O O . SER D 4 134 ? -111.926 -64.380 22.598 1.00 64.15 ? 133 SER D O 1 ATOM 5492 C CB . SER D 4 134 ? -111.905 -67.304 21.357 1.00 65.02 ? 133 SER D CB 1 ATOM 5493 O OG . SER D 4 134 ? -111.275 -68.301 22.143 1.00 67.17 ? 133 SER D OG 1 ATOM 5494 N N . HIS D 4 135 ? -109.929 -65.234 23.166 1.00 61.53 ? 134 HIS D N 1 ATOM 5495 C CA . HIS D 4 135 ? -109.873 -64.444 24.395 1.00 63.89 ? 134 HIS D CA 1 ATOM 5496 C C . HIS D 4 135 ? -109.386 -63.007 24.168 1.00 62.10 ? 134 HIS D C 1 ATOM 5497 O O . HIS D 4 135 ? -109.881 -62.086 24.824 1.00 64.02 ? 134 HIS D O 1 ATOM 5498 C CB . HIS D 4 135 ? -109.021 -65.138 25.455 1.00 64.83 ? 134 HIS D CB 1 ATOM 5499 C CG . HIS D 4 135 ? -109.059 -64.465 26.788 1.00 67.87 ? 134 HIS D CG 1 ATOM 5500 N ND1 . HIS D 4 135 ? -110.202 -64.401 27.553 1.00 71.41 ? 134 HIS D ND1 1 ATOM 5501 C CD2 . HIS D 4 135 ? -108.095 -63.828 27.498 1.00 67.10 ? 134 HIS D CD2 1 ATOM 5502 C CE1 . HIS D 4 135 ? -109.947 -63.746 28.670 1.00 74.02 ? 134 HIS D CE1 1 ATOM 5503 N NE2 . HIS D 4 135 ? -108.676 -63.385 28.662 1.00 72.54 ? 134 HIS D NE2 1 ATOM 5504 N N . THR D 4 136 ? -108.444 -62.827 23.236 1.00 57.83 ? 135 THR D N 1 ATOM 5505 C CA . THR D 4 136 ? -107.755 -61.543 23.061 1.00 57.00 ? 135 THR D CA 1 ATOM 5506 C C . THR D 4 136 ? -107.901 -60.921 21.663 1.00 54.80 ? 135 THR D C 1 ATOM 5507 O O . THR D 4 136 ? -107.614 -59.737 21.480 1.00 54.24 ? 135 THR D O 1 ATOM 5508 C CB . THR D 4 136 ? -106.217 -61.664 23.340 1.00 54.61 ? 135 THR D CB 1 ATOM 5509 O OG1 . THR D 4 136 ? -105.632 -62.544 22.381 1.00 51.93 ? 135 THR D OG1 1 ATOM 5510 C CG2 . THR D 4 136 ? -105.912 -62.184 24.767 1.00 57.62 ? 135 THR D CG2 1 ATOM 5511 N N . GLN D 4 137 ? -108.330 -61.727 20.690 1.00 54.17 ? 136 GLN D N 1 ATOM 5512 C CA . GLN D 4 137 ? -108.310 -61.367 19.249 1.00 52.28 ? 136 GLN D CA 1 ATOM 5513 C C . GLN D 4 137 ? -106.902 -61.169 18.698 1.00 48.70 ? 136 GLN D C 1 ATOM 5514 O O . GLN D 4 137 ? -106.689 -60.486 17.693 1.00 47.13 ? 136 GLN D O 1 ATOM 5515 C CB . GLN D 4 137 ? -109.241 -60.180 18.926 1.00 54.59 ? 136 GLN D CB 1 ATOM 5516 C CG . GLN D 4 137 ? -110.723 -60.577 18.952 1.00 60.18 ? 136 GLN D CG 1 ATOM 5517 C CD . GLN D 4 137 ? -111.013 -61.786 18.044 1.00 62.57 ? 136 GLN D CD 1 ATOM 5518 O OE1 . GLN D 4 137 ? -110.728 -61.765 16.836 1.00 61.18 ? 136 GLN D OE1 1 ATOM 5519 N NE2 . GLN D 4 137 ? -111.577 -62.841 18.627 1.00 64.73 ? 136 GLN D NE2 1 ATOM 5520 N N . LYS D 4 138 ? -105.923 -61.764 19.366 1.00 47.55 ? 137 LYS D N 1 ATOM 5521 C CA . LYS D 4 138 ? -104.586 -61.795 18.809 1.00 44.49 ? 137 LYS D CA 1 ATOM 5522 C C . LYS D 4 138 ? -104.121 -63.243 18.680 1.00 42.81 ? 137 LYS D C 1 ATOM 5523 O O . LYS D 4 138 ? -104.675 -64.142 19.309 1.00 44.43 ? 137 LYS D O 1 ATOM 5524 C CB . LYS D 4 138 ? -103.605 -60.962 19.648 1.00 44.24 ? 137 LYS D CB 1 ATOM 5525 C CG . LYS D 4 138 ? -104.231 -59.791 20.378 1.00 47.59 ? 137 LYS D CG 1 ATOM 5526 C CD . LYS D 4 138 ? -103.421 -58.518 20.183 1.00 48.20 ? 137 LYS D CD 1 ATOM 5527 C CE . LYS D 4 138 ? -103.593 -57.533 21.326 1.00 51.78 ? 137 LYS D CE 1 ATOM 5528 N NZ . LYS D 4 138 ? -104.997 -57.278 21.794 1.00 55.59 ? 137 LYS D NZ 1 ATOM 5529 N N . ALA D 4 139 ? -103.076 -63.436 17.884 1.00 39.89 ? 138 ALA D N 1 ATOM 5530 C CA . ALA D 4 139 ? -102.519 -64.735 17.582 1.00 38.18 ? 138 ALA D CA 1 ATOM 5531 C C . ALA D 4 139 ? -101.015 -64.657 17.773 1.00 36.14 ? 138 ALA D C 1 ATOM 5532 O O . ALA D 4 139 ? -100.343 -63.836 17.110 1.00 33.67 ? 138 ALA D O 1 ATOM 5533 C CB . ALA D 4 139 ? -102.818 -65.078 16.161 1.00 37.33 ? 138 ALA D CB 1 ATOM 5534 N N . THR D 4 140 ? -100.484 -65.517 18.654 1.00 36.16 ? 139 THR D N 1 ATOM 5535 C CA . THR D 4 140 ? -99.034 -65.557 18.879 1.00 34.28 ? 139 THR D CA 1 ATOM 5536 C C . THR D 4 140 ? -98.388 -66.788 18.297 1.00 33.46 ? 139 THR D C 1 ATOM 5537 O O . THR D 4 140 ? -98.663 -67.882 18.736 1.00 34.63 ? 139 THR D O 1 ATOM 5538 C CB . THR D 4 140 ? -98.651 -65.510 20.386 1.00 34.97 ? 139 THR D CB 1 ATOM 5539 O OG1 . THR D 4 140 ? -99.358 -64.447 21.014 1.00 38.15 ? 139 THR D OG1 1 ATOM 5540 C CG2 . THR D 4 140 ? -97.171 -65.265 20.559 1.00 30.93 ? 139 THR D CG2 1 ATOM 5541 N N . LEU D 4 141 ? -97.468 -66.582 17.378 1.00 31.99 ? 140 LEU D N 1 ATOM 5542 C CA . LEU D 4 141 ? -96.600 -67.650 16.905 1.00 32.73 ? 140 LEU D CA 1 ATOM 5543 C C . LEU D 4 141 ? -95.320 -67.737 17.744 1.00 32.40 ? 140 LEU D C 1 ATOM 5544 O O . LEU D 4 141 ? -94.701 -66.710 18.061 1.00 32.85 ? 140 LEU D O 1 ATOM 5545 C CB . LEU D 4 141 ? -96.207 -67.410 15.415 1.00 30.87 ? 140 LEU D CB 1 ATOM 5546 C CG . LEU D 4 141 ? -97.349 -67.365 14.388 1.00 34.13 ? 140 LEU D CG 1 ATOM 5547 C CD1 . LEU D 4 141 ? -98.249 -66.147 14.583 1.00 36.49 ? 140 LEU D CD1 1 ATOM 5548 C CD2 . LEU D 4 141 ? -96.814 -67.326 12.967 1.00 35.66 ? 140 LEU D CD2 1 ATOM 5549 N N . VAL D 4 142 ? -94.885 -68.956 18.041 1.00 32.94 ? 141 VAL D N 1 ATOM 5550 C CA . VAL D 4 142 ? -93.605 -69.174 18.710 1.00 32.08 ? 141 VAL D CA 1 ATOM 5551 C C . VAL D 4 142 ? -92.664 -69.990 17.822 1.00 31.92 ? 141 VAL D C 1 ATOM 5552 O O . VAL D 4 142 ? -93.060 -71.023 17.230 1.00 32.18 ? 141 VAL D O 1 ATOM 5553 C CB . VAL D 4 142 ? -93.794 -69.922 20.053 1.00 35.11 ? 141 VAL D CB 1 ATOM 5554 C CG1 . VAL D 4 142 ? -92.445 -70.254 20.706 1.00 33.75 ? 141 VAL D CG1 1 ATOM 5555 C CG2 . VAL D 4 142 ? -94.695 -69.141 21.008 1.00 35.41 ? 141 VAL D CG2 1 ATOM 5556 N N . CYS D 4 143 ? -91.418 -69.530 17.755 1.00 31.05 ? 142 CYS D N 1 ATOM 5557 C CA . CYS D 4 143 ? -90.340 -70.224 17.058 1.00 31.19 ? 142 CYS D CA 1 ATOM 5558 C C . CYS D 4 143 ? -89.354 -70.737 18.097 1.00 31.64 ? 142 CYS D C 1 ATOM 5559 O O . CYS D 4 143 ? -88.954 -69.954 18.967 1.00 31.30 ? 142 CYS D O 1 ATOM 5560 C CB . CYS D 4 143 ? -89.616 -69.232 16.153 1.00 30.31 ? 142 CYS D CB 1 ATOM 5561 S SG . CYS D 4 143 ? -88.283 -69.959 15.197 1.00 34.16 ? 142 CYS D SG 1 ATOM 5562 N N . LEU D 4 144 ? -89.012 -72.037 18.045 1.00 31.41 ? 143 LEU D N 1 ATOM 5563 C CA . LEU D 4 144 ? -87.926 -72.595 18.855 1.00 32.72 ? 143 LEU D CA 1 ATOM 5564 C C . LEU D 4 144 ? -86.756 -73.030 17.986 1.00 31.13 ? 143 LEU D C 1 ATOM 5565 O O . LEU D 4 144 ? -86.939 -73.736 17.010 1.00 31.60 ? 143 LEU D O 1 ATOM 5566 C CB . LEU D 4 144 ? -88.357 -73.827 19.661 1.00 35.31 ? 143 LEU D CB 1 ATOM 5567 C CG . LEU D 4 144 ? -89.159 -73.720 20.947 1.00 39.63 ? 143 LEU D CG 1 ATOM 5568 C CD1 . LEU D 4 144 ? -89.410 -75.121 21.552 1.00 41.53 ? 143 LEU D CD1 1 ATOM 5569 C CD2 . LEU D 4 144 ? -88.441 -72.839 21.943 1.00 43.19 ? 143 LEU D CD2 1 ATOM 5570 N N . ALA D 4 145 ? -85.558 -72.614 18.352 1.00 30.49 ? 144 ALA D N 1 ATOM 5571 C CA . ALA D 4 145 ? -84.326 -73.130 17.751 1.00 29.45 ? 144 ALA D CA 1 ATOM 5572 C C . ALA D 4 145 ? -83.637 -73.925 18.845 1.00 31.37 ? 144 ALA D C 1 ATOM 5573 O O . ALA D 4 145 ? -83.480 -73.432 19.967 1.00 33.18 ? 144 ALA D O 1 ATOM 5574 C CB . ALA D 4 145 ? -83.452 -71.984 17.261 1.00 27.27 ? 144 ALA D CB 1 ATOM 5575 N N . THR D 4 146 ? -83.259 -75.173 18.562 1.00 32.20 ? 145 THR D N 1 ATOM 5576 C CA . THR D 4 146 ? -82.639 -76.005 19.591 1.00 33.47 ? 145 THR D CA 1 ATOM 5577 C C . THR D 4 146 ? -81.416 -76.798 19.113 1.00 32.70 ? 145 THR D C 1 ATOM 5578 O O . THR D 4 146 ? -81.228 -77.050 17.921 1.00 30.46 ? 145 THR D O 1 ATOM 5579 C CB . THR D 4 146 ? -83.653 -77.020 20.203 1.00 37.07 ? 145 THR D CB 1 ATOM 5580 O OG1 . THR D 4 146 ? -84.030 -77.969 19.199 1.00 38.80 ? 145 THR D OG1 1 ATOM 5581 C CG2 . THR D 4 146 ? -84.920 -76.338 20.814 1.00 37.33 ? 145 THR D CG2 1 ATOM 5582 N N . GLY D 4 147 ? -80.618 -77.223 20.083 1.00 34.37 ? 146 GLY D N 1 ATOM 5583 C CA . GLY D 4 147 ? -79.474 -78.103 19.870 1.00 35.96 ? 146 GLY D CA 1 ATOM 5584 C C . GLY D 4 147 ? -78.301 -77.476 19.138 1.00 34.11 ? 146 GLY D C 1 ATOM 5585 O O . GLY D 4 147 ? -77.505 -78.190 18.547 1.00 36.08 ? 146 GLY D O 1 ATOM 5586 N N . PHE D 4 148 ? -78.171 -76.153 19.165 1.00 31.10 ? 147 PHE D N 1 ATOM 5587 C CA . PHE D 4 148 ? -77.106 -75.530 18.421 1.00 28.36 ? 147 PHE D CA 1 ATOM 5588 C C . PHE D 4 148 ? -75.909 -75.160 19.290 1.00 29.90 ? 147 PHE D C 1 ATOM 5589 O O . PHE D 4 148 ? -76.018 -75.025 20.505 1.00 30.48 ? 147 PHE D O 1 ATOM 5590 C CB . PHE D 4 148 ? -77.600 -74.344 17.608 1.00 26.07 ? 147 PHE D CB 1 ATOM 5591 C CG . PHE D 4 148 ? -78.193 -73.223 18.425 1.00 26.82 ? 147 PHE D CG 1 ATOM 5592 C CD1 . PHE D 4 148 ? -79.558 -73.225 18.768 1.00 28.15 ? 147 PHE D CD1 1 ATOM 5593 C CD2 . PHE D 4 148 ? -77.414 -72.147 18.827 1.00 26.03 ? 147 PHE D CD2 1 ATOM 5594 C CE1 . PHE D 4 148 ? -80.124 -72.146 19.505 1.00 24.87 ? 147 PHE D CE1 1 ATOM 5595 C CE2 . PHE D 4 148 ? -77.986 -71.091 19.546 1.00 27.10 ? 147 PHE D CE2 1 ATOM 5596 C CZ . PHE D 4 148 ? -79.340 -71.105 19.891 1.00 23.99 ? 147 PHE D CZ 1 ATOM 5597 N N . TYR D 4 149 ? -74.754 -75.027 18.638 1.00 28.96 ? 148 TYR D N 1 ATOM 5598 C CA . TYR D 4 149 ? -73.546 -74.658 19.313 1.00 30.40 ? 148 TYR D CA 1 ATOM 5599 C C . TYR D 4 149 ? -72.643 -74.111 18.252 1.00 29.72 ? 148 TYR D C 1 ATOM 5600 O O . TYR D 4 149 ? -72.566 -74.686 17.177 1.00 29.65 ? 148 TYR D O 1 ATOM 5601 C CB . TYR D 4 149 ? -72.851 -75.862 19.991 1.00 32.27 ? 148 TYR D CB 1 ATOM 5602 C CG . TYR D 4 149 ? -71.628 -75.428 20.759 1.00 32.27 ? 148 TYR D CG 1 ATOM 5603 C CD1 . TYR D 4 149 ? -71.740 -74.961 22.062 1.00 34.27 ? 148 TYR D CD1 1 ATOM 5604 C CD2 . TYR D 4 149 ? -70.360 -75.424 20.165 1.00 32.72 ? 148 TYR D CD2 1 ATOM 5605 C CE1 . TYR D 4 149 ? -70.605 -74.543 22.786 1.00 36.28 ? 148 TYR D CE1 1 ATOM 5606 C CE2 . TYR D 4 149 ? -69.220 -75.008 20.877 1.00 33.23 ? 148 TYR D CE2 1 ATOM 5607 C CZ . TYR D 4 149 ? -69.371 -74.564 22.181 1.00 35.41 ? 148 TYR D CZ 1 ATOM 5608 O OH . TYR D 4 149 ? -68.303 -74.147 22.892 1.00 40.84 ? 148 TYR D OH 1 ATOM 5609 N N . PRO D 4 150 ? -71.949 -73.007 18.544 1.00 31.13 ? 149 PRO D N 1 ATOM 5610 C CA . PRO D 4 150 ? -72.027 -72.141 19.740 1.00 33.05 ? 149 PRO D CA 1 ATOM 5611 C C . PRO D 4 150 ? -73.243 -71.187 19.641 1.00 32.23 ? 149 PRO D C 1 ATOM 5612 O O . PRO D 4 150 ? -74.124 -71.411 18.817 1.00 30.47 ? 149 PRO D O 1 ATOM 5613 C CB . PRO D 4 150 ? -70.698 -71.367 19.675 1.00 33.68 ? 149 PRO D CB 1 ATOM 5614 C CG . PRO D 4 150 ? -70.476 -71.205 18.163 1.00 31.19 ? 149 PRO D CG 1 ATOM 5615 C CD . PRO D 4 150 ? -70.881 -72.558 17.616 1.00 31.48 ? 149 PRO D CD 1 ATOM 5616 N N . ASP D 4 151 ? -73.299 -70.142 20.454 1.00 34.90 ? 150 ASP D N 1 ATOM 5617 C CA . ASP D 4 151 ? -74.486 -69.262 20.484 1.00 36.01 ? 150 ASP D CA 1 ATOM 5618 C C . ASP D 4 151 ? -74.574 -68.153 19.400 1.00 35.13 ? 150 ASP D C 1 ATOM 5619 O O . ASP D 4 151 ? -75.222 -67.125 19.617 1.00 36.22 ? 150 ASP D O 1 ATOM 5620 C CB . ASP D 4 151 ? -74.618 -68.629 21.867 1.00 38.82 ? 150 ASP D CB 1 ATOM 5621 C CG . ASP D 4 151 ? -73.399 -67.784 22.246 1.00 42.56 ? 150 ASP D CG 1 ATOM 5622 O OD1 . ASP D 4 151 ? -72.427 -67.739 21.450 1.00 44.01 ? 150 ASP D OD1 1 ATOM 5623 O OD2 . ASP D 4 151 ? -73.410 -67.181 23.347 1.00 46.77 ? 150 ASP D OD2 1 ATOM 5624 N N . HIS D 4 152 ? -73.946 -68.347 18.247 1.00 34.41 ? 151 HIS D N 1 ATOM 5625 C CA . HIS D 4 152 ? -73.964 -67.308 17.200 1.00 34.41 ? 151 HIS D CA 1 ATOM 5626 C C . HIS D 4 152 ? -75.093 -67.518 16.199 1.00 32.49 ? 151 HIS D C 1 ATOM 5627 O O . HIS D 4 152 ? -74.890 -68.081 15.094 1.00 32.73 ? 151 HIS D O 1 ATOM 5628 C CB . HIS D 4 152 ? -72.594 -67.169 16.524 1.00 34.51 ? 151 HIS D CB 1 ATOM 5629 C CG . HIS D 4 152 ? -71.616 -66.400 17.345 1.00 37.67 ? 151 HIS D CG 1 ATOM 5630 N ND1 . HIS D 4 152 ? -70.827 -65.404 16.822 1.00 40.09 ? 151 HIS D ND1 1 ATOM 5631 C CD2 . HIS D 4 152 ? -71.332 -66.450 18.670 1.00 40.91 ? 151 HIS D CD2 1 ATOM 5632 C CE1 . HIS D 4 152 ? -70.091 -64.877 17.786 1.00 43.52 ? 151 HIS D CE1 1 ATOM 5633 N NE2 . HIS D 4 152 ? -70.386 -65.489 18.920 1.00 43.22 ? 151 HIS D NE2 1 ATOM 5634 N N . VAL D 4 153 ? -76.291 -67.099 16.603 1.00 31.41 ? 152 VAL D N 1 ATOM 5635 C CA . VAL D 4 153 ? -77.457 -67.202 15.733 1.00 28.53 ? 152 VAL D CA 1 ATOM 5636 C C . VAL D 4 153 ? -78.197 -65.892 15.620 1.00 28.76 ? 152 VAL D C 1 ATOM 5637 O O . VAL D 4 153 ? -78.173 -65.066 16.518 1.00 28.58 ? 152 VAL D O 1 ATOM 5638 C CB . VAL D 4 153 ? -78.454 -68.313 16.194 1.00 28.65 ? 152 VAL D CB 1 ATOM 5639 C CG1 . VAL D 4 153 ? -77.793 -69.671 16.131 1.00 24.64 ? 152 VAL D CG1 1 ATOM 5640 C CG2 . VAL D 4 153 ? -79.034 -67.993 17.592 1.00 28.23 ? 152 VAL D CG2 1 ATOM 5641 N N . GLU D 4 154 ? -78.865 -65.726 14.492 1.00 28.04 ? 153 GLU D N 1 ATOM 5642 C CA . GLU D 4 154 ? -79.681 -64.555 14.236 1.00 29.22 ? 153 GLU D CA 1 ATOM 5643 C C . GLU D 4 154 ? -81.013 -65.080 13.853 1.00 27.23 ? 153 GLU D C 1 ATOM 5644 O O . GLU D 4 154 ? -81.158 -65.761 12.849 1.00 26.99 ? 153 GLU D O 1 ATOM 5645 C CB . GLU D 4 154 ? -79.115 -63.693 13.109 1.00 31.03 ? 153 GLU D CB 1 ATOM 5646 C CG . GLU D 4 154 ? -77.775 -62.986 13.446 1.00 38.95 ? 153 GLU D CG 1 ATOM 5647 C CD . GLU D 4 154 ? -77.100 -62.289 12.231 1.00 48.23 ? 153 GLU D CD 1 ATOM 5648 O OE1 . GLU D 4 154 ? -77.656 -62.350 11.107 1.00 51.08 ? 153 GLU D OE1 1 ATOM 5649 O OE2 . GLU D 4 154 ? -76.003 -61.675 12.400 1.00 53.17 ? 153 GLU D OE2 1 ATOM 5650 N N . LEU D 4 155 ? -81.989 -64.811 14.687 1.00 27.94 ? 154 LEU D N 1 ATOM 5651 C CA . LEU D 4 155 ? -83.348 -65.268 14.464 1.00 27.49 ? 154 LEU D CA 1 ATOM 5652 C C . LEU D 4 155 ? -84.097 -64.125 13.860 1.00 27.19 ? 154 LEU D C 1 ATOM 5653 O O . LEU D 4 155 ? -83.991 -63.018 14.351 1.00 28.72 ? 154 LEU D O 1 ATOM 5654 C CB . LEU D 4 155 ? -83.998 -65.662 15.789 1.00 28.69 ? 154 LEU D CB 1 ATOM 5655 C CG . LEU D 4 155 ? -85.265 -66.527 15.698 1.00 29.50 ? 154 LEU D CG 1 ATOM 5656 C CD1 . LEU D 4 155 ? -85.418 -67.472 16.900 1.00 31.70 ? 154 LEU D CD1 1 ATOM 5657 C CD2 . LEU D 4 155 ? -86.467 -65.612 15.576 1.00 30.33 ? 154 LEU D CD2 1 ATOM 5658 N N . SER D 4 156 ? -84.850 -64.376 12.787 1.00 26.03 ? 155 SER D N 1 ATOM 5659 C CA . SER D 4 156 ? -85.696 -63.319 12.200 1.00 25.54 ? 155 SER D CA 1 ATOM 5660 C C . SER D 4 156 ? -87.047 -63.843 11.682 1.00 24.66 ? 155 SER D C 1 ATOM 5661 O O . SER D 4 156 ? -87.198 -65.037 11.405 1.00 23.86 ? 155 SER D O 1 ATOM 5662 C CB . SER D 4 156 ? -84.931 -62.519 11.127 1.00 26.06 ? 155 SER D CB 1 ATOM 5663 O OG . SER D 4 156 ? -84.594 -63.332 10.022 1.00 24.96 ? 155 SER D OG 1 ATOM 5664 N N . TRP D 4 157 ? -88.028 -62.955 11.565 1.00 24.34 ? 156 TRP D N 1 ATOM 5665 C CA . TRP D 4 157 ? -89.363 -63.370 11.110 1.00 23.83 ? 156 TRP D CA 1 ATOM 5666 C C . TRP D 4 157 ? -89.728 -62.762 9.752 1.00 24.41 ? 156 TRP D C 1 ATOM 5667 O O . TRP D 4 157 ? -89.470 -61.571 9.488 1.00 24.37 ? 156 TRP D O 1 ATOM 5668 C CB . TRP D 4 157 ? -90.423 -62.924 12.100 1.00 24.38 ? 156 TRP D CB 1 ATOM 5669 C CG . TRP D 4 157 ? -90.449 -63.676 13.390 1.00 24.16 ? 156 TRP D CG 1 ATOM 5670 C CD1 . TRP D 4 157 ? -89.775 -63.373 14.525 1.00 24.65 ? 156 TRP D CD1 1 ATOM 5671 C CD2 . TRP D 4 157 ? -91.227 -64.842 13.678 1.00 23.02 ? 156 TRP D CD2 1 ATOM 5672 N NE1 . TRP D 4 157 ? -90.057 -64.308 15.506 1.00 26.20 ? 156 TRP D NE1 1 ATOM 5673 C CE2 . TRP D 4 157 ? -90.973 -65.193 15.015 1.00 22.83 ? 156 TRP D CE2 1 ATOM 5674 C CE3 . TRP D 4 157 ? -92.137 -65.605 12.936 1.00 21.63 ? 156 TRP D CE3 1 ATOM 5675 C CZ2 . TRP D 4 157 ? -91.593 -66.273 15.638 1.00 25.25 ? 156 TRP D CZ2 1 ATOM 5676 C CZ3 . TRP D 4 157 ? -92.722 -66.691 13.533 1.00 23.09 ? 156 TRP D CZ3 1 ATOM 5677 C CH2 . TRP D 4 157 ? -92.459 -67.018 14.878 1.00 26.41 ? 156 TRP D CH2 1 ATOM 5678 N N . TRP D 4 158 ? -90.377 -63.575 8.908 1.00 23.87 ? 157 TRP D N 1 ATOM 5679 C CA . TRP D 4 158 ? -90.711 -63.156 7.560 1.00 24.89 ? 157 TRP D CA 1 ATOM 5680 C C . TRP D 4 158 ? -92.185 -63.427 7.273 1.00 25.35 ? 157 TRP D C 1 ATOM 5681 O O . TRP D 4 158 ? -92.688 -64.508 7.544 1.00 25.79 ? 157 TRP D O 1 ATOM 5682 C CB . TRP D 4 158 ? -89.757 -63.807 6.523 1.00 23.63 ? 157 TRP D CB 1 ATOM 5683 C CG . TRP D 4 158 ? -88.325 -63.427 6.742 1.00 23.26 ? 157 TRP D CG 1 ATOM 5684 C CD1 . TRP D 4 158 ? -87.510 -63.845 7.796 1.00 20.53 ? 157 TRP D CD1 1 ATOM 5685 C CD2 . TRP D 4 158 ? -87.503 -62.532 5.934 1.00 23.04 ? 157 TRP D CD2 1 ATOM 5686 N NE1 . TRP D 4 158 ? -86.262 -63.282 7.658 1.00 22.94 ? 157 TRP D NE1 1 ATOM 5687 C CE2 . TRP D 4 158 ? -86.231 -62.459 6.556 1.00 22.30 ? 157 TRP D CE2 1 ATOM 5688 C CE3 . TRP D 4 158 ? -87.715 -61.813 4.749 1.00 25.15 ? 157 TRP D CE3 1 ATOM 5689 C CZ2 . TRP D 4 158 ? -85.171 -61.702 6.028 1.00 23.85 ? 157 TRP D CZ2 1 ATOM 5690 C CZ3 . TRP D 4 158 ? -86.663 -61.023 4.229 1.00 27.11 ? 157 TRP D CZ3 1 ATOM 5691 C CH2 . TRP D 4 158 ? -85.401 -60.983 4.869 1.00 28.01 ? 157 TRP D CH2 1 ATOM 5692 N N . VAL D 4 159 ? -92.884 -62.424 6.769 1.00 26.08 ? 158 VAL D N 1 ATOM 5693 C CA . VAL D 4 159 ? -94.264 -62.607 6.367 1.00 26.66 ? 158 VAL D CA 1 ATOM 5694 C C . VAL D 4 159 ? -94.309 -62.237 4.897 1.00 28.54 ? 158 VAL D C 1 ATOM 5695 O O . VAL D 4 159 ? -93.912 -61.137 4.527 1.00 30.50 ? 158 VAL D O 1 ATOM 5696 C CB . VAL D 4 159 ? -95.259 -61.771 7.210 1.00 27.08 ? 158 VAL D CB 1 ATOM 5697 C CG1 . VAL D 4 159 ? -96.657 -61.949 6.700 1.00 27.56 ? 158 VAL D CG1 1 ATOM 5698 C CG2 . VAL D 4 159 ? -95.189 -62.158 8.671 1.00 24.80 ? 158 VAL D CG2 1 ATOM 5699 N N . ASN D 4 160 ? -94.732 -63.190 4.066 1.00 29.39 ? 159 ASN D N 1 ATOM 5700 C CA . ASN D 4 160 ? -94.775 -63.026 2.628 1.00 32.25 ? 159 ASN D CA 1 ATOM 5701 C C . ASN D 4 160 ? -93.466 -62.550 2.043 1.00 32.62 ? 159 ASN D C 1 ATOM 5702 O O . ASN D 4 160 ? -93.437 -61.706 1.158 1.00 35.36 ? 159 ASN D O 1 ATOM 5703 C CB . ASN D 4 160 ? -95.935 -62.133 2.234 1.00 34.05 ? 159 ASN D CB 1 ATOM 5704 C CG . ASN D 4 160 ? -97.252 -62.694 2.707 1.00 37.23 ? 159 ASN D CG 1 ATOM 5705 O OD1 . ASN D 4 160 ? -97.441 -63.922 2.731 1.00 35.87 ? 159 ASN D OD1 1 ATOM 5706 N ND2 . ASN D 4 160 ? -98.163 -61.808 3.143 1.00 39.93 ? 159 ASN D ND2 1 ATOM 5707 N N . GLY D 4 161 ? -92.381 -63.089 2.574 1.00 31.31 ? 160 GLY D N 1 ATOM 5708 C CA . GLY D 4 161 ? -91.046 -62.835 2.052 1.00 32.77 ? 160 GLY D CA 1 ATOM 5709 C C . GLY D 4 161 ? -90.483 -61.476 2.450 1.00 33.64 ? 160 GLY D C 1 ATOM 5710 O O . GLY D 4 161 ? -89.512 -61.025 1.854 1.00 34.32 ? 160 GLY D O 1 ATOM 5711 N N . LYS D 4 162 ? -91.102 -60.820 3.436 1.00 33.11 ? 161 LYS D N 1 ATOM 5712 C CA . LYS D 4 162 ? -90.544 -59.571 3.984 1.00 34.56 ? 161 LYS D CA 1 ATOM 5713 C C . LYS D 4 162 ? -90.403 -59.619 5.483 1.00 32.04 ? 161 LYS D C 1 ATOM 5714 O O . LYS D 4 162 ? -91.320 -60.033 6.199 1.00 30.29 ? 161 LYS D O 1 ATOM 5715 C CB . LYS D 4 162 ? -91.361 -58.348 3.574 1.00 37.67 ? 161 LYS D CB 1 ATOM 5716 C CG . LYS D 4 162 ? -91.182 -58.002 2.113 1.00 43.01 ? 161 LYS D CG 1 ATOM 5717 C CD . LYS D 4 162 ? -92.324 -57.148 1.614 1.00 48.31 ? 161 LYS D CD 1 ATOM 5718 C CE . LYS D 4 162 ? -92.047 -56.685 0.191 1.00 53.30 ? 161 LYS D CE 1 ATOM 5719 N NZ . LYS D 4 162 ? -93.160 -55.839 -0.325 1.00 57.36 ? 161 LYS D NZ 1 ATOM 5720 N N . GLU D 4 163 ? -89.226 -59.210 5.933 1.00 32.16 ? 162 GLU D N 1 ATOM 5721 C CA . GLU D 4 163 ? -88.870 -59.230 7.330 1.00 31.24 ? 162 GLU D CA 1 ATOM 5722 C C . GLU D 4 163 ? -89.779 -58.327 8.148 1.00 32.35 ? 162 GLU D C 1 ATOM 5723 O O . GLU D 4 163 ? -90.061 -57.212 7.740 1.00 34.07 ? 162 GLU D O 1 ATOM 5724 C CB . GLU D 4 163 ? -87.411 -58.852 7.512 1.00 31.04 ? 162 GLU D CB 1 ATOM 5725 C CG . GLU D 4 163 ? -87.042 -58.833 8.982 1.00 34.11 ? 162 GLU D CG 1 ATOM 5726 C CD . GLU D 4 163 ? -85.551 -58.822 9.265 1.00 37.45 ? 162 GLU D CD 1 ATOM 5727 O OE1 . GLU D 4 163 ? -84.747 -58.351 8.436 1.00 40.36 ? 162 GLU D OE1 1 ATOM 5728 O OE2 . GLU D 4 163 ? -85.199 -59.305 10.355 1.00 40.75 ? 162 GLU D OE2 1 ATOM 5729 N N . VAL D 4 164 ? -90.305 -58.851 9.258 1.00 32.08 ? 163 VAL D N 1 ATOM 5730 C CA . VAL D 4 164 ? -91.112 -58.033 10.186 1.00 34.36 ? 163 VAL D CA 1 ATOM 5731 C C . VAL D 4 164 ? -90.371 -57.826 11.536 1.00 34.63 ? 163 VAL D C 1 ATOM 5732 O O . VAL D 4 164 ? -89.649 -58.703 12.004 1.00 33.69 ? 163 VAL D O 1 ATOM 5733 C CB . VAL D 4 164 ? -92.542 -58.582 10.405 1.00 34.12 ? 163 VAL D CB 1 ATOM 5734 C CG1 . VAL D 4 164 ? -93.357 -58.546 9.113 1.00 36.90 ? 163 VAL D CG1 1 ATOM 5735 C CG2 . VAL D 4 164 ? -92.527 -59.959 10.912 1.00 32.09 ? 163 VAL D CG2 1 ATOM 5736 N N . HIS D 4 165 ? -90.526 -56.652 12.119 1.00 36.89 ? 164 HIS D N 1 ATOM 5737 C CA . HIS D 4 165 ? -89.950 -56.337 13.431 1.00 37.91 ? 164 HIS D CA 1 ATOM 5738 C C . HIS D 4 165 ? -91.034 -56.062 14.474 1.00 38.14 ? 164 HIS D C 1 ATOM 5739 O O . HIS D 4 165 ? -90.866 -56.363 15.662 1.00 38.61 ? 164 HIS D O 1 ATOM 5740 C CB . HIS D 4 165 ? -89.031 -55.123 13.279 1.00 40.68 ? 164 HIS D CB 1 ATOM 5741 C CG . HIS D 4 165 ? -87.866 -55.397 12.381 1.00 44.37 ? 164 HIS D CG 1 ATOM 5742 N ND1 . HIS D 4 165 ? -86.856 -56.284 12.724 1.00 44.58 ? 164 HIS D ND1 1 ATOM 5743 C CD2 . HIS D 4 165 ? -87.584 -54.968 11.126 1.00 47.52 ? 164 HIS D CD2 1 ATOM 5744 C CE1 . HIS D 4 165 ? -85.984 -56.352 11.734 1.00 45.00 ? 164 HIS D CE1 1 ATOM 5745 N NE2 . HIS D 4 165 ? -86.401 -55.565 10.754 1.00 49.28 ? 164 HIS D NE2 1 ATOM 5746 N N . SER D 4 166 ? -92.156 -55.517 14.026 1.00 37.08 ? 165 SER D N 1 ATOM 5747 C CA . SER D 4 166 ? -93.195 -55.140 14.935 1.00 38.25 ? 165 SER D CA 1 ATOM 5748 C C . SER D 4 166 ? -93.878 -56.381 15.498 1.00 35.94 ? 165 SER D C 1 ATOM 5749 O O . SER D 4 166 ? -94.134 -57.326 14.756 1.00 33.71 ? 165 SER D O 1 ATOM 5750 C CB . SER D 4 166 ? -94.212 -54.263 14.220 1.00 40.28 ? 165 SER D CB 1 ATOM 5751 O OG . SER D 4 166 ? -95.293 -53.993 15.088 1.00 43.53 ? 165 SER D OG 1 ATOM 5752 N N . GLY D 4 167 ? -94.176 -56.374 16.805 1.00 35.60 ? 166 GLY D N 1 ATOM 5753 C CA . GLY D 4 167 ? -94.826 -57.506 17.440 1.00 33.55 ? 166 GLY D CA 1 ATOM 5754 C C . GLY D 4 167 ? -93.897 -58.692 17.686 1.00 31.81 ? 166 GLY D C 1 ATOM 5755 O O . GLY D 4 167 ? -94.361 -59.777 18.064 1.00 30.40 ? 166 GLY D O 1 ATOM 5756 N N . VAL D 4 168 ? -92.589 -58.482 17.509 1.00 30.77 ? 167 VAL D N 1 ATOM 5757 C CA . VAL D 4 168 ? -91.604 -59.545 17.678 1.00 29.83 ? 167 VAL D CA 1 ATOM 5758 C C . VAL D 4 168 ? -90.835 -59.404 18.982 1.00 32.55 ? 167 VAL D C 1 ATOM 5759 O O . VAL D 4 168 ? -90.424 -58.307 19.357 1.00 34.51 ? 167 VAL D O 1 ATOM 5760 C CB . VAL D 4 168 ? -90.565 -59.563 16.506 1.00 28.95 ? 167 VAL D CB 1 ATOM 5761 C CG1 . VAL D 4 168 ? -89.302 -60.383 16.878 1.00 24.74 ? 167 VAL D CG1 1 ATOM 5762 C CG2 . VAL D 4 168 ? -91.236 -60.031 15.174 1.00 25.84 ? 167 VAL D CG2 1 ATOM 5763 N N . CYS D 4 169 ? -90.592 -60.513 19.662 1.00 33.23 ? 168 CYS D N 1 ATOM 5764 C CA . CYS D 4 169 ? -89.644 -60.464 20.774 1.00 37.57 ? 168 CYS D CA 1 ATOM 5765 C C . CYS D 4 169 ? -88.840 -61.746 20.872 1.00 35.66 ? 168 CYS D C 1 ATOM 5766 O O . CYS D 4 169 ? -89.401 -62.830 20.979 1.00 36.21 ? 168 CYS D O 1 ATOM 5767 C CB . CYS D 4 169 ? -90.362 -60.100 22.082 1.00 42.06 ? 168 CYS D CB 1 ATOM 5768 S SG . CYS D 4 169 ? -90.377 -61.326 23.396 1.00 52.35 ? 168 CYS D SG 1 ATOM 5769 N N . THR D 4 170 ? -87.521 -61.615 20.781 1.00 35.27 ? 169 THR D N 1 ATOM 5770 C CA . THR D 4 170 ? -86.601 -62.748 20.788 1.00 33.34 ? 169 THR D CA 1 ATOM 5771 C C . THR D 4 170 ? -85.849 -62.738 22.124 1.00 36.25 ? 169 THR D C 1 ATOM 5772 O O . THR D 4 170 ? -85.452 -61.668 22.561 1.00 37.65 ? 169 THR D O 1 ATOM 5773 C CB . THR D 4 170 ? -85.682 -62.623 19.545 1.00 31.07 ? 169 THR D CB 1 ATOM 5774 O OG1 . THR D 4 170 ? -86.462 -62.945 18.377 1.00 30.70 ? 169 THR D OG1 1 ATOM 5775 C CG2 . THR D 4 170 ? -84.491 -63.573 19.597 1.00 28.94 ? 169 THR D CG2 1 ATOM 5776 N N . ASP D 4 171 ? -85.691 -63.890 22.794 1.00 37.67 ? 170 ASP D N 1 ATOM 5777 C CA . ASP D 4 171 ? -84.895 -63.950 24.039 1.00 41.81 ? 170 ASP D CA 1 ATOM 5778 C C . ASP D 4 171 ? -83.562 -63.241 23.803 1.00 43.10 ? 170 ASP D C 1 ATOM 5779 O O . ASP D 4 171 ? -82.944 -63.429 22.758 1.00 40.40 ? 170 ASP D O 1 ATOM 5780 C CB . ASP D 4 171 ? -84.604 -65.388 24.511 1.00 42.42 ? 170 ASP D CB 1 ATOM 5781 C CG . ASP D 4 171 ? -85.856 -66.252 24.631 1.00 43.73 ? 170 ASP D CG 1 ATOM 5782 O OD1 . ASP D 4 171 ? -86.924 -65.712 24.961 1.00 46.34 ? 170 ASP D OD1 1 ATOM 5783 O OD2 . ASP D 4 171 ? -85.770 -67.485 24.392 1.00 43.26 ? 170 ASP D OD2 1 ATOM 5784 N N . PRO D 4 172 ? -83.139 -62.387 24.750 1.00 47.51 ? 171 PRO D N 1 ATOM 5785 C CA . PRO D 4 172 ? -81.854 -61.704 24.633 1.00 49.67 ? 171 PRO D CA 1 ATOM 5786 C C . PRO D 4 172 ? -80.713 -62.695 24.755 1.00 50.82 ? 171 PRO D C 1 ATOM 5787 O O . PRO D 4 172 ? -79.715 -62.571 24.053 1.00 50.57 ? 171 PRO D O 1 ATOM 5788 C CB . PRO D 4 172 ? -81.859 -60.731 25.822 1.00 53.89 ? 171 PRO D CB 1 ATOM 5789 C CG . PRO D 4 172 ? -82.836 -61.320 26.800 1.00 54.62 ? 171 PRO D CG 1 ATOM 5790 C CD . PRO D 4 172 ? -83.886 -61.975 25.950 1.00 51.14 ? 171 PRO D CD 1 ATOM 5791 N N . GLN D 4 173 ? -80.868 -63.682 25.628 1.00 53.55 ? 172 GLN D N 1 ATOM 5792 C CA . GLN D 4 173 ? -79.846 -64.718 25.815 1.00 55.55 ? 172 GLN D CA 1 ATOM 5793 C C . GLN D 4 173 ? -80.395 -66.088 25.389 1.00 53.19 ? 172 GLN D C 1 ATOM 5794 O O . GLN D 4 173 ? -81.524 -66.438 25.729 1.00 53.33 ? 172 GLN D O 1 ATOM 5795 C CB . GLN D 4 173 ? -79.404 -64.805 27.294 1.00 60.23 ? 172 GLN D CB 1 ATOM 5796 C CG . GLN D 4 173 ? -79.586 -63.529 28.154 1.00 66.63 ? 172 GLN D CG 1 ATOM 5797 C CD . GLN D 4 173 ? -78.307 -62.678 28.282 1.00 71.53 ? 172 GLN D CD 1 ATOM 5798 O OE1 . GLN D 4 173 ? -77.575 -62.465 27.302 1.00 68.78 ? 172 GLN D OE1 1 ATOM 5799 N NE2 . GLN D 4 173 ? -78.044 -62.181 29.504 1.00 76.90 ? 172 GLN D NE2 1 ATOM 5800 N N . PRO D 4 174 ? -79.588 -66.889 24.685 1.00 52.06 ? 173 PRO D N 1 ATOM 5801 C CA . PRO D 4 174 ? -80.022 -68.262 24.417 1.00 51.14 ? 173 PRO D CA 1 ATOM 5802 C C . PRO D 4 174 ? -79.840 -69.064 25.690 1.00 54.45 ? 173 PRO D C 1 ATOM 5803 O O . PRO D 4 174 ? -78.984 -68.712 26.491 1.00 57.43 ? 173 PRO D O 1 ATOM 5804 C CB . PRO D 4 174 ? -79.038 -68.733 23.334 1.00 49.42 ? 173 PRO D CB 1 ATOM 5805 C CG . PRO D 4 174 ? -78.348 -67.415 22.809 1.00 48.64 ? 173 PRO D CG 1 ATOM 5806 C CD . PRO D 4 174 ? -78.267 -66.620 24.089 1.00 51.92 ? 173 PRO D CD 1 ATOM 5807 N N . LEU D 4 175 ? -80.635 -70.098 25.928 1.00 54.48 ? 174 LEU D N 1 ATOM 5808 C CA . LEU D 4 175 ? -80.449 -70.808 27.185 1.00 58.49 ? 174 LEU D CA 1 ATOM 5809 C C . LEU D 4 175 ? -79.660 -72.115 27.015 1.00 58.25 ? 174 LEU D C 1 ATOM 5810 O O . LEU D 4 175 ? -79.586 -72.659 25.909 1.00 55.06 ? 174 LEU D O 1 ATOM 5811 C CB . LEU D 4 175 ? -81.777 -70.988 27.908 1.00 60.83 ? 174 LEU D CB 1 ATOM 5812 C CG . LEU D 4 175 ? -82.762 -72.026 27.405 1.00 61.80 ? 174 LEU D CG 1 ATOM 5813 C CD1 . LEU D 4 175 ? -82.404 -73.357 28.072 1.00 65.92 ? 174 LEU D CD1 1 ATOM 5814 C CD2 . LEU D 4 175 ? -84.193 -71.614 27.768 1.00 64.08 ? 174 LEU D CD2 1 ATOM 5815 N N . LYS D 4 176 ? -79.053 -72.600 28.096 1.00 61.03 ? 175 LYS D N 1 ATOM 5816 C CA . LYS D 4 176 ? -78.270 -73.839 28.030 1.00 61.31 ? 175 LYS D CA 1 ATOM 5817 C C . LYS D 4 176 ? -79.131 -75.073 28.267 1.00 62.56 ? 175 LYS D C 1 ATOM 5818 O O . LYS D 4 176 ? -79.855 -75.147 29.244 1.00 65.55 ? 175 LYS D O 1 ATOM 5819 C CB . LYS D 4 176 ? -77.108 -73.811 29.015 1.00 64.27 ? 175 LYS D CB 1 ATOM 5820 C CG . LYS D 4 176 ? -75.976 -72.904 28.598 1.00 63.17 ? 175 LYS D CG 1 ATOM 5821 C CD . LYS D 4 176 ? -74.838 -72.973 29.619 1.00 69.60 ? 175 LYS D CD 1 ATOM 5822 C CE . LYS D 4 176 ? -73.525 -72.504 29.016 1.00 69.08 ? 175 LYS D CE 1 ATOM 5823 N NZ . LYS D 4 176 ? -72.414 -72.715 29.968 1.00 73.93 ? 175 LYS D NZ 1 ATOM 5824 N N . GLU D 4 177 ? -79.037 -76.039 27.362 1.00 60.69 ? 176 GLU D N 1 ATOM 5825 C CA . GLU D 4 177 ? -79.846 -77.256 27.432 1.00 63.02 ? 176 GLU D CA 1 ATOM 5826 C C . GLU D 4 177 ? -79.395 -78.184 28.561 1.00 68.11 ? 176 GLU D C 1 ATOM 5827 O O . GLU D 4 177 ? -80.197 -78.907 29.151 1.00 71.10 ? 176 GLU D O 1 ATOM 5828 C CB . GLU D 4 177 ? -79.818 -78.008 26.093 1.00 60.06 ? 176 GLU D CB 1 ATOM 5829 C CG . GLU D 4 177 ? -80.224 -77.147 24.907 1.00 56.66 ? 176 GLU D CG 1 ATOM 5830 C CD . GLU D 4 177 ? -80.661 -77.933 23.681 1.00 56.98 ? 176 GLU D CD 1 ATOM 5831 O OE1 . GLU D 4 177 ? -80.362 -79.148 23.574 1.00 60.11 ? 176 GLU D OE1 1 ATOM 5832 O OE2 . GLU D 4 177 ? -81.308 -77.314 22.807 1.00 54.08 ? 176 GLU D OE2 1 ATOM 5833 N N . GLN D 4 178 ? -78.097 -78.162 28.832 1.00 69.61 ? 177 GLN D N 1 ATOM 5834 C CA . GLN D 4 178 ? -77.480 -78.990 29.851 1.00 75.20 ? 177 GLN D CA 1 ATOM 5835 C C . GLN D 4 178 ? -76.391 -78.171 30.558 1.00 76.73 ? 177 GLN D C 1 ATOM 5836 O O . GLN D 4 178 ? -75.200 -78.374 30.310 1.00 76.19 ? 177 GLN D O 1 ATOM 5837 C CB . GLN D 4 178 ? -76.945 -80.299 29.230 1.00 75.69 ? 177 GLN D CB 1 ATOM 5838 C CG . GLN D 4 178 ? -78.075 -81.218 28.687 1.00 76.97 ? 177 GLN D CG 1 ATOM 5839 C CD . GLN D 4 178 ? -77.578 -82.538 28.115 1.00 80.41 ? 177 GLN D CD 1 ATOM 5840 O OE1 . GLN D 4 178 ? -76.850 -82.563 27.116 1.00 76.88 ? 177 GLN D OE1 1 ATOM 5841 N NE2 . GLN D 4 178 ? -77.985 -83.655 28.747 1.00 85.25 ? 177 GLN D NE2 1 ATOM 5842 N N . PRO D 4 179 ? -76.815 -77.237 31.443 1.00 78.90 ? 178 PRO D N 1 ATOM 5843 C CA . PRO D 4 179 ? -75.967 -76.284 32.169 1.00 81.30 ? 178 PRO D CA 1 ATOM 5844 C C . PRO D 4 179 ? -74.757 -76.911 32.864 1.00 85.74 ? 178 PRO D C 1 ATOM 5845 O O . PRO D 4 179 ? -73.697 -76.289 32.916 1.00 85.70 ? 178 PRO D O 1 ATOM 5846 C CB . PRO D 4 179 ? -76.922 -75.699 33.219 1.00 84.41 ? 178 PRO D CB 1 ATOM 5847 C CG . PRO D 4 179 ? -78.241 -75.795 32.601 1.00 81.53 ? 178 PRO D CG 1 ATOM 5848 C CD . PRO D 4 179 ? -78.222 -77.108 31.865 1.00 80.13 ? 178 PRO D CD 1 ATOM 5849 N N . ALA D 4 180 ? -74.913 -78.130 33.373 1.00 89.86 ? 179 ALA D N 1 ATOM 5850 C CA . ALA D 4 180 ? -73.818 -78.825 34.053 1.00 95.26 ? 179 ALA D CA 1 ATOM 5851 C C . ALA D 4 180 ? -72.606 -79.071 33.136 1.00 92.92 ? 179 ALA D C 1 ATOM 5852 O O . ALA D 4 180 ? -71.539 -79.496 33.602 1.00 96.60 ? 179 ALA D O 1 ATOM 5853 C CB . ALA D 4 180 ? -74.313 -80.150 34.671 1.00 99.39 ? 179 ALA D CB 1 ATOM 5854 N N . LEU D 4 181 ? -72.764 -78.781 31.845 1.00 87.49 ? 180 LEU D N 1 ATOM 5855 C CA . LEU D 4 181 ? -71.751 -79.148 30.856 1.00 85.58 ? 180 LEU D CA 1 ATOM 5856 C C . LEU D 4 181 ? -71.088 -77.959 30.136 1.00 82.05 ? 180 LEU D C 1 ATOM 5857 O O . LEU D 4 181 ? -71.753 -76.984 29.766 1.00 79.03 ? 180 LEU D O 1 ATOM 5858 C CB . LEU D 4 181 ? -72.323 -80.173 29.858 1.00 83.41 ? 180 LEU D CB 1 ATOM 5859 C CG . LEU D 4 181 ? -72.586 -81.581 30.430 1.00 87.88 ? 180 LEU D CG 1 ATOM 5860 C CD1 . LEU D 4 181 ? -73.688 -82.335 29.673 1.00 86.35 ? 180 LEU D CD1 1 ATOM 5861 C CD2 . LEU D 4 181 ? -71.293 -82.401 30.480 1.00 91.44 ? 180 LEU D CD2 1 ATOM 5862 N N . ASN D 4 182 ? -69.761 -78.058 29.970 1.00 83.09 ? 181 ASN D N 1 ATOM 5863 C CA . ASN D 4 182 ? -68.952 -77.063 29.242 1.00 79.88 ? 181 ASN D CA 1 ATOM 5864 C C . ASN D 4 182 ? -69.307 -77.055 27.756 1.00 73.85 ? 181 ASN D C 1 ATOM 5865 O O . ASN D 4 182 ? -69.323 -75.994 27.110 1.00 70.56 ? 181 ASN D O 1 ATOM 5866 C CB . ASN D 4 182 ? -67.443 -77.329 29.420 1.00 82.71 ? 181 ASN D CB 1 ATOM 5867 C CG . ASN D 4 182 ? -67.002 -77.366 30.899 1.00 90.47 ? 181 ASN D CG 1 ATOM 5868 O OD1 . ASN D 4 182 ? -67.336 -76.482 31.694 1.00 94.06 ? 181 ASN D OD1 1 ATOM 5869 N ND2 . ASN D 4 182 ? -66.225 -78.387 31.257 1.00 94.23 ? 181 ASN D ND2 1 ATOM 5870 N N . ASP D 4 183 ? -69.600 -78.246 27.231 1.00 72.29 ? 182 ASP D N 1 ATOM 5871 C CA . ASP D 4 183 ? -69.886 -78.445 25.803 1.00 67.25 ? 182 ASP D CA 1 ATOM 5872 C C . ASP D 4 183 ? -71.341 -78.081 25.389 1.00 63.21 ? 182 ASP D C 1 ATOM 5873 O O . ASP D 4 183 ? -71.718 -78.185 24.212 1.00 59.77 ? 182 ASP D O 1 ATOM 5874 C CB . ASP D 4 183 ? -69.580 -79.910 25.447 1.00 69.07 ? 182 ASP D CB 1 ATOM 5875 N N . SER D 4 184 ? -72.131 -77.638 26.366 1.00 63.07 ? 183 SER D N 1 ATOM 5876 C CA . SER D 4 184 ? -73.585 -77.602 26.267 1.00 59.67 ? 183 SER D CA 1 ATOM 5877 C C . SER D 4 184 ? -74.131 -76.899 25.050 1.00 54.16 ? 183 SER D C 1 ATOM 5878 O O . SER D 4 184 ? -73.670 -75.826 24.657 1.00 52.48 ? 183 SER D O 1 ATOM 5879 C CB . SER D 4 184 ? -74.206 -76.978 27.514 1.00 62.32 ? 183 SER D CB 1 ATOM 5880 O OG . SER D 4 184 ? -75.617 -76.881 27.363 1.00 59.68 ? 183 SER D OG 1 ATOM 5881 N N . ARG D 4 185 ? -75.142 -77.523 24.474 1.00 51.44 ? 184 ARG D N 1 ATOM 5882 C CA . ARG D 4 185 ? -75.900 -76.943 23.397 1.00 46.89 ? 184 ARG D CA 1 ATOM 5883 C C . ARG D 4 185 ? -76.864 -75.878 23.936 1.00 45.25 ? 184 ARG D C 1 ATOM 5884 O O . ARG D 4 185 ? -77.079 -75.781 25.152 1.00 47.48 ? 184 ARG D O 1 ATOM 5885 C CB . ARG D 4 185 ? -76.606 -78.059 22.627 1.00 46.95 ? 184 ARG D CB 1 ATOM 5886 C CG . ARG D 4 185 ? -75.674 -78.705 21.622 1.00 50.15 ? 184 ARG D CG 1 ATOM 5887 C CD . ARG D 4 185 ? -75.911 -80.189 21.349 1.00 58.34 ? 184 ARG D CD 1 ATOM 5888 N NE . ARG D 4 185 ? -74.635 -80.780 20.910 1.00 65.98 ? 184 ARG D NE 1 ATOM 5889 C CZ . ARG D 4 185 ? -74.492 -81.751 20.000 1.00 69.43 ? 184 ARG D CZ 1 ATOM 5890 N NH1 . ARG D 4 185 ? -75.553 -82.275 19.379 1.00 68.45 ? 184 ARG D NH1 1 ATOM 5891 N NH2 . ARG D 4 185 ? -73.272 -82.192 19.699 1.00 70.42 ? 184 ARG D NH2 1 ATOM 5892 N N . TYR D 4 186 ? -77.402 -75.060 23.029 1.00 40.88 ? 185 TYR D N 1 ATOM 5893 C CA . TYR D 4 186 ? -78.270 -73.931 23.375 1.00 39.47 ? 185 TYR D CA 1 ATOM 5894 C C . TYR D 4 186 ? -79.656 -74.022 22.778 1.00 37.39 ? 185 TYR D C 1 ATOM 5895 O O . TYR D 4 186 ? -79.828 -74.620 21.736 1.00 35.61 ? 185 TYR D O 1 ATOM 5896 C CB . TYR D 4 186 ? -77.665 -72.637 22.869 1.00 36.90 ? 185 TYR D CB 1 ATOM 5897 C CG . TYR D 4 186 ? -76.376 -72.277 23.542 1.00 39.21 ? 185 TYR D CG 1 ATOM 5898 C CD1 . TYR D 4 186 ? -76.373 -71.597 24.761 1.00 39.08 ? 185 TYR D CD1 1 ATOM 5899 C CD2 . TYR D 4 186 ? -75.154 -72.590 22.948 1.00 38.68 ? 185 TYR D CD2 1 ATOM 5900 C CE1 . TYR D 4 186 ? -75.211 -71.246 25.366 1.00 43.21 ? 185 TYR D CE1 1 ATOM 5901 C CE2 . TYR D 4 186 ? -73.958 -72.249 23.573 1.00 42.96 ? 185 TYR D CE2 1 ATOM 5902 C CZ . TYR D 4 186 ? -73.998 -71.578 24.785 1.00 44.28 ? 185 TYR D CZ 1 ATOM 5903 O OH . TYR D 4 186 ? -72.819 -71.240 25.427 1.00 48.52 ? 185 TYR D OH 1 ATOM 5904 N N . SER D 4 187 ? -80.623 -73.379 23.425 1.00 38.00 ? 186 SER D N 1 ATOM 5905 C CA . SER D 4 187 ? -81.947 -73.144 22.831 1.00 36.78 ? 186 SER D CA 1 ATOM 5906 C C . SER D 4 187 ? -82.290 -71.673 22.819 1.00 35.72 ? 186 SER D C 1 ATOM 5907 O O . SER D 4 187 ? -81.716 -70.903 23.547 1.00 37.05 ? 186 SER D O 1 ATOM 5908 C CB . SER D 4 187 ? -83.043 -73.905 23.565 1.00 38.85 ? 186 SER D CB 1 ATOM 5909 O OG . SER D 4 187 ? -82.862 -75.288 23.396 1.00 39.98 ? 186 SER D OG 1 ATOM 5910 N N . LEU D 4 188 ? -83.242 -71.296 21.978 1.00 34.04 ? 187 LEU D N 1 ATOM 5911 C CA . LEU D 4 188 ? -83.581 -69.917 21.824 1.00 33.59 ? 187 LEU D CA 1 ATOM 5912 C C . LEU D 4 188 ? -85.011 -69.845 21.324 1.00 33.34 ? 187 LEU D C 1 ATOM 5913 O O . LEU D 4 188 ? -85.345 -70.475 20.307 1.00 31.90 ? 187 LEU D O 1 ATOM 5914 C CB . LEU D 4 188 ? -82.665 -69.282 20.781 1.00 31.04 ? 187 LEU D CB 1 ATOM 5915 C CG . LEU D 4 188 ? -82.861 -67.770 20.694 1.00 31.85 ? 187 LEU D CG 1 ATOM 5916 C CD1 . LEU D 4 188 ? -82.209 -67.069 21.917 1.00 34.09 ? 187 LEU D CD1 1 ATOM 5917 C CD2 . LEU D 4 188 ? -82.295 -67.209 19.416 1.00 28.96 ? 187 LEU D CD2 1 ATOM 5918 N N . SER D 4 189 ? -85.842 -69.052 21.998 1.00 34.53 ? 188 SER D N 1 ATOM 5919 C CA . SER D 4 189 ? -87.224 -68.839 21.530 1.00 33.30 ? 188 SER D CA 1 ATOM 5920 C C . SER D 4 189 ? -87.451 -67.399 21.089 1.00 31.53 ? 188 SER D C 1 ATOM 5921 O O . SER D 4 189 ? -86.721 -66.511 21.492 1.00 32.50 ? 188 SER D O 1 ATOM 5922 C CB . SER D 4 189 ? -88.215 -69.204 22.629 1.00 35.22 ? 188 SER D CB 1 ATOM 5923 O OG . SER D 4 189 ? -88.193 -68.225 23.638 1.00 38.49 ? 188 SER D OG 1 ATOM 5924 N N . SER D 4 190 ? -88.501 -67.185 20.303 1.00 30.49 ? 189 SER D N 1 ATOM 5925 C CA . SER D 4 190 ? -88.886 -65.887 19.792 1.00 29.15 ? 189 SER D CA 1 ATOM 5926 C C . SER D 4 190 ? -90.384 -65.887 19.643 1.00 30.33 ? 189 SER D C 1 ATOM 5927 O O . SER D 4 190 ? -90.982 -66.935 19.440 1.00 30.43 ? 189 SER D O 1 ATOM 5928 C CB . SER D 4 190 ? -88.292 -65.708 18.407 1.00 27.47 ? 189 SER D CB 1 ATOM 5929 O OG . SER D 4 190 ? -88.427 -64.377 17.930 1.00 25.33 ? 189 SER D OG 1 ATOM 5930 N N . ARG D 4 191 ? -91.008 -64.714 19.731 1.00 31.47 ? 190 ARG D N 1 ATOM 5931 C CA . ARG D 4 191 ? -92.444 -64.645 19.525 1.00 32.72 ? 190 ARG D CA 1 ATOM 5932 C C . ARG D 4 191 ? -92.816 -63.601 18.463 1.00 32.38 ? 190 ARG D C 1 ATOM 5933 O O . ARG D 4 191 ? -92.201 -62.537 18.375 1.00 32.31 ? 190 ARG D O 1 ATOM 5934 C CB . ARG D 4 191 ? -93.153 -64.437 20.859 1.00 35.22 ? 190 ARG D CB 1 ATOM 5935 C CG . ARG D 4 191 ? -92.825 -65.615 21.819 1.00 39.86 ? 190 ARG D CG 1 ATOM 5936 C CD . ARG D 4 191 ? -92.676 -65.286 23.284 1.00 49.34 ? 190 ARG D CD 1 ATOM 5937 N NE . ARG D 4 191 ? -91.499 -64.486 23.649 1.00 54.30 ? 190 ARG D NE 1 ATOM 5938 C CZ . ARG D 4 191 ? -90.258 -64.948 23.829 1.00 58.25 ? 190 ARG D CZ 1 ATOM 5939 N NH1 . ARG D 4 191 ? -89.288 -64.104 24.169 1.00 62.14 ? 190 ARG D NH1 1 ATOM 5940 N NH2 . ARG D 4 191 ? -89.951 -66.225 23.641 1.00 57.53 ? 190 ARG D NH2 1 ATOM 5941 N N . LEU D 4 192 ? -93.801 -63.957 17.642 1.00 31.17 ? 191 LEU D N 1 ATOM 5942 C CA . LEU D 4 192 ? -94.426 -63.056 16.707 1.00 31.07 ? 191 LEU D CA 1 ATOM 5943 C C . LEU D 4 192 ? -95.932 -63.026 16.992 1.00 32.39 ? 191 LEU D C 1 ATOM 5944 O O . LEU D 4 192 ? -96.634 -64.054 16.879 1.00 33.03 ? 191 LEU D O 1 ATOM 5945 C CB . LEU D 4 192 ? -94.153 -63.471 15.243 1.00 28.82 ? 191 LEU D CB 1 ATOM 5946 C CG . LEU D 4 192 ? -94.972 -62.673 14.203 1.00 30.59 ? 191 LEU D CG 1 ATOM 5947 C CD1 . LEU D 4 192 ? -94.693 -61.159 14.259 1.00 27.26 ? 191 LEU D CD1 1 ATOM 5948 C CD2 . LEU D 4 192 ? -94.799 -63.208 12.756 1.00 26.51 ? 191 LEU D CD2 1 ATOM 5949 N N . ARG D 4 193 ? -96.417 -61.847 17.345 1.00 32.70 ? 192 ARG D N 1 ATOM 5950 C CA . ARG D 4 193 ? -97.815 -61.664 17.680 1.00 34.58 ? 192 ARG D CA 1 ATOM 5951 C C . ARG D 4 193 ? -98.463 -60.714 16.682 1.00 34.99 ? 192 ARG D C 1 ATOM 5952 O O . ARG D 4 193 ? -97.995 -59.583 16.496 1.00 34.33 ? 192 ARG D O 1 ATOM 5953 C CB . ARG D 4 193 ? -97.954 -61.110 19.109 1.00 36.87 ? 192 ARG D CB 1 ATOM 5954 C CG . ARG D 4 193 ? -99.373 -61.120 19.653 1.00 37.71 ? 192 ARG D CG 1 ATOM 5955 C CD . ARG D 4 193 ? -99.366 -60.902 21.152 1.00 38.53 ? 192 ARG D CD 1 ATOM 5956 N NE . ARG D 4 193 ? -100.547 -61.495 21.758 1.00 39.74 ? 192 ARG D NE 1 ATOM 5957 C CZ . ARG D 4 193 ? -100.955 -61.297 23.012 1.00 43.32 ? 192 ARG D CZ 1 ATOM 5958 N NH1 . ARG D 4 193 ? -102.058 -61.911 23.453 1.00 44.62 ? 192 ARG D NH1 1 ATOM 5959 N NH2 . ARG D 4 193 ? -100.279 -60.487 23.829 1.00 42.66 ? 192 ARG D NH2 1 ATOM 5960 N N . VAL D 4 194 ? -99.552 -61.190 16.076 1.00 35.21 ? 193 VAL D N 1 ATOM 5961 C CA . VAL D 4 194 ? -100.313 -60.458 15.068 1.00 36.01 ? 193 VAL D CA 1 ATOM 5962 C C . VAL D 4 194 ? -101.799 -60.402 15.482 1.00 38.98 ? 193 VAL D C 1 ATOM 5963 O O . VAL D 4 194 ? -102.205 -61.073 16.427 1.00 39.17 ? 193 VAL D O 1 ATOM 5964 C CB . VAL D 4 194 ? -100.198 -61.159 13.725 1.00 34.95 ? 193 VAL D CB 1 ATOM 5965 C CG1 . VAL D 4 194 ? -98.723 -61.212 13.258 1.00 32.03 ? 193 VAL D CG1 1 ATOM 5966 C CG2 . VAL D 4 194 ? -100.760 -62.572 13.823 1.00 34.84 ? 193 VAL D CG2 1 ATOM 5967 N N . SER D 4 195 ? -102.603 -59.586 14.800 1.00 40.32 ? 194 SER D N 1 ATOM 5968 C CA . SER D 4 195 ? -104.052 -59.625 14.986 1.00 42.83 ? 194 SER D CA 1 ATOM 5969 C C . SER D 4 195 ? -104.603 -60.977 14.544 1.00 42.56 ? 194 SER D C 1 ATOM 5970 O O . SER D 4 195 ? -104.085 -61.580 13.615 1.00 41.49 ? 194 SER D O 1 ATOM 5971 C CB . SER D 4 195 ? -104.724 -58.511 14.176 1.00 45.02 ? 194 SER D CB 1 ATOM 5972 O OG . SER D 4 195 ? -104.673 -58.780 12.782 1.00 44.30 ? 194 SER D OG 1 ATOM 5973 N N . ALA D 4 196 ? -105.660 -61.448 15.195 1.00 44.92 ? 195 ALA D N 1 ATOM 5974 C CA . ALA D 4 196 ? -106.237 -62.741 14.857 1.00 45.24 ? 195 ALA D CA 1 ATOM 5975 C C . ALA D 4 196 ? -106.537 -62.823 13.366 1.00 45.32 ? 195 ALA D C 1 ATOM 5976 O O . ALA D 4 196 ? -106.187 -63.807 12.695 1.00 45.34 ? 195 ALA D O 1 ATOM 5977 C CB . ALA D 4 196 ? -107.508 -62.987 15.677 1.00 48.23 ? 195 ALA D CB 1 ATOM 5978 N N . THR D 4 197 ? -107.169 -61.785 12.835 1.00 46.43 ? 196 THR D N 1 ATOM 5979 C CA . THR D 4 197 ? -107.558 -61.784 11.432 1.00 47.26 ? 196 THR D CA 1 ATOM 5980 C C . THR D 4 197 ? -106.360 -61.828 10.504 1.00 44.89 ? 196 THR D C 1 ATOM 5981 O O . THR D 4 197 ? -106.454 -62.316 9.387 1.00 45.49 ? 196 THR D O 1 ATOM 5982 C CB . THR D 4 197 ? -108.454 -60.580 11.085 1.00 49.60 ? 196 THR D CB 1 ATOM 5983 O OG1 . THR D 4 197 ? -107.813 -59.378 11.510 1.00 50.60 ? 196 THR D OG1 1 ATOM 5984 C CG2 . THR D 4 197 ? -109.827 -60.695 11.796 1.00 52.49 ? 196 THR D CG2 1 ATOM 5985 N N . PHE D 4 198 ? -105.225 -61.307 10.954 1.00 43.01 ? 197 PHE D N 1 ATOM 5986 C CA . PHE D 4 198 ? -104.039 -61.445 10.155 1.00 41.60 ? 197 PHE D CA 1 ATOM 5987 C C . PHE D 4 198 ? -103.659 -62.936 10.045 1.00 40.56 ? 197 PHE D C 1 ATOM 5988 O O . PHE D 4 198 ? -103.423 -63.438 8.928 1.00 39.60 ? 197 PHE D O 1 ATOM 5989 C CB . PHE D 4 198 ? -102.874 -60.610 10.701 1.00 40.64 ? 197 PHE D CB 1 ATOM 5990 C CG . PHE D 4 198 ? -101.777 -60.383 9.685 1.00 40.95 ? 197 PHE D CG 1 ATOM 5991 C CD1 . PHE D 4 198 ? -100.648 -61.200 9.662 1.00 39.98 ? 197 PHE D CD1 1 ATOM 5992 C CD2 . PHE D 4 198 ? -101.897 -59.375 8.726 1.00 43.63 ? 197 PHE D CD2 1 ATOM 5993 C CE1 . PHE D 4 198 ? -99.638 -60.994 8.715 1.00 41.11 ? 197 PHE D CE1 1 ATOM 5994 C CE2 . PHE D 4 198 ? -100.909 -59.167 7.782 1.00 44.29 ? 197 PHE D CE2 1 ATOM 5995 C CZ . PHE D 4 198 ? -99.772 -59.981 7.771 1.00 43.53 ? 197 PHE D CZ 1 ATOM 5996 N N . TRP D 4 199 ? -103.618 -63.623 11.199 1.00 39.36 ? 198 TRP D N 1 ATOM 5997 C CA . TRP D 4 199 ? -103.303 -65.049 11.239 1.00 38.74 ? 198 TRP D CA 1 ATOM 5998 C C . TRP D 4 199 ? -104.366 -65.871 10.526 1.00 41.04 ? 198 TRP D C 1 ATOM 5999 O O . TRP D 4 199 ? -104.083 -66.931 10.024 1.00 41.19 ? 198 TRP D O 1 ATOM 6000 C CB . TRP D 4 199 ? -103.116 -65.572 12.683 1.00 38.08 ? 198 TRP D CB 1 ATOM 6001 C CG . TRP D 4 199 ? -103.157 -67.094 12.742 1.00 37.91 ? 198 TRP D CG 1 ATOM 6002 C CD1 . TRP D 4 199 ? -104.199 -67.869 13.180 1.00 38.69 ? 198 TRP D CD1 1 ATOM 6003 C CD2 . TRP D 4 199 ? -102.147 -68.015 12.267 1.00 34.01 ? 198 TRP D CD2 1 ATOM 6004 N NE1 . TRP D 4 199 ? -103.885 -69.205 13.039 1.00 39.08 ? 198 TRP D NE1 1 ATOM 6005 C CE2 . TRP D 4 199 ? -102.639 -69.324 12.478 1.00 35.81 ? 198 TRP D CE2 1 ATOM 6006 C CE3 . TRP D 4 199 ? -100.894 -67.860 11.681 1.00 32.15 ? 198 TRP D CE3 1 ATOM 6007 C CZ2 . TRP D 4 199 ? -101.912 -70.469 12.131 1.00 35.34 ? 198 TRP D CZ2 1 ATOM 6008 C CZ3 . TRP D 4 199 ? -100.153 -69.017 11.343 1.00 32.73 ? 198 TRP D CZ3 1 ATOM 6009 C CH2 . TRP D 4 199 ? -100.675 -70.296 11.563 1.00 34.26 ? 198 TRP D CH2 1 ATOM 6010 N N . GLN D 4 200 ? -105.594 -65.381 10.492 1.00 43.78 ? 199 GLN D N 1 ATOM 6011 C CA . GLN D 4 200 ? -106.678 -66.144 9.898 1.00 46.80 ? 199 GLN D CA 1 ATOM 6012 C C . GLN D 4 200 ? -106.655 -66.114 8.372 1.00 48.10 ? 199 GLN D C 1 ATOM 6013 O O . GLN D 4 200 ? -107.256 -66.989 7.712 1.00 50.68 ? 199 GLN D O 1 ATOM 6014 C CB . GLN D 4 200 ? -108.041 -65.695 10.463 1.00 49.44 ? 199 GLN D CB 1 ATOM 6015 C CG . GLN D 4 200 ? -108.280 -66.245 11.884 1.00 50.11 ? 199 GLN D CG 1 ATOM 6016 C CD . GLN D 4 200 ? -109.386 -65.568 12.696 1.00 52.89 ? 199 GLN D CD 1 ATOM 6017 O OE1 . GLN D 4 200 ? -109.963 -64.538 12.318 1.00 53.24 ? 199 GLN D OE1 1 ATOM 6018 N NE2 . GLN D 4 200 ? -109.689 -66.171 13.835 1.00 54.74 ? 199 GLN D NE2 1 ATOM 6019 N N . ASN D 4 201 ? -105.961 -65.127 7.808 1.00 46.51 ? 200 ASN D N 1 ATOM 6020 C CA . ASN D 4 201 ? -105.867 -64.994 6.348 1.00 47.68 ? 200 ASN D CA 1 ATOM 6021 C C . ASN D 4 201 ? -104.960 -66.070 5.712 1.00 46.15 ? 200 ASN D C 1 ATOM 6022 O O . ASN D 4 201 ? -103.756 -66.064 5.954 1.00 43.59 ? 200 ASN D O 1 ATOM 6023 C CB . ASN D 4 201 ? -105.365 -63.590 5.992 1.00 47.41 ? 200 ASN D CB 1 ATOM 6024 C CG . ASN D 4 201 ? -105.367 -63.318 4.489 1.00 50.97 ? 200 ASN D CG 1 ATOM 6025 O OD1 . ASN D 4 201 ? -105.481 -64.230 3.662 1.00 50.85 ? 200 ASN D OD1 1 ATOM 6026 N ND2 . ASN D 4 201 ? -105.237 -62.047 4.136 1.00 53.89 ? 200 ASN D ND2 1 ATOM 6027 N N . PRO D 4 202 ? -105.533 -66.992 4.901 1.00 47.90 ? 201 PRO D N 1 ATOM 6028 C CA . PRO D 4 202 ? -104.722 -68.096 4.364 1.00 47.55 ? 201 PRO D CA 1 ATOM 6029 C C . PRO D 4 202 ? -103.727 -67.690 3.255 1.00 47.49 ? 201 PRO D C 1 ATOM 6030 O O . PRO D 4 202 ? -102.988 -68.533 2.730 1.00 46.56 ? 201 PRO D O 1 ATOM 6031 C CB . PRO D 4 202 ? -105.770 -69.094 3.839 1.00 51.11 ? 201 PRO D CB 1 ATOM 6032 C CG . PRO D 4 202 ? -107.007 -68.293 3.624 1.00 52.95 ? 201 PRO D CG 1 ATOM 6033 C CD . PRO D 4 202 ? -106.964 -67.112 4.537 1.00 51.39 ? 201 PRO D CD 1 ATOM 6034 N N . ARG D 4 203 ? -103.713 -66.406 2.909 1.00 48.00 ? 202 ARG D N 1 ATOM 6035 C CA . ARG D 4 203 ? -102.766 -65.900 1.931 1.00 48.87 ? 202 ARG D CA 1 ATOM 6036 C C . ARG D 4 203 ? -101.478 -65.371 2.553 1.00 45.71 ? 202 ARG D C 1 ATOM 6037 O O . ARG D 4 203 ? -100.562 -64.966 1.819 1.00 46.03 ? 202 ARG D O 1 ATOM 6038 C CB . ARG D 4 203 ? -103.416 -64.857 1.036 1.00 51.61 ? 202 ARG D CB 1 ATOM 6039 C CG . ARG D 4 203 ? -104.497 -65.451 0.133 1.00 57.81 ? 202 ARG D CG 1 ATOM 6040 C CD . ARG D 4 203 ? -105.182 -64.356 -0.605 1.00 63.96 ? 202 ARG D CD 1 ATOM 6041 N NE . ARG D 4 203 ? -104.317 -63.883 -1.680 1.00 68.94 ? 202 ARG D NE 1 ATOM 6042 C CZ . ARG D 4 203 ? -104.758 -63.320 -2.801 1.00 75.16 ? 202 ARG D CZ 1 ATOM 6043 N NH1 . ARG D 4 203 ? -106.067 -63.151 -3.003 1.00 76.84 ? 202 ARG D NH1 1 ATOM 6044 N NH2 . ARG D 4 203 ? -103.884 -62.933 -3.724 1.00 77.35 ? 202 ARG D NH2 1 ATOM 6045 N N . ASN D 4 204 ? -101.406 -65.401 3.883 1.00 42.80 ? 203 ASN D N 1 ATOM 6046 C CA . ASN D 4 204 ? -100.196 -64.993 4.602 1.00 40.28 ? 203 ASN D CA 1 ATOM 6047 C C . ASN D 4 204 ? -99.304 -66.143 4.980 1.00 39.24 ? 203 ASN D C 1 ATOM 6048 O O . ASN D 4 204 ? -99.701 -67.049 5.733 1.00 39.35 ? 203 ASN D O 1 ATOM 6049 C CB . ASN D 4 204 ? -100.545 -64.208 5.871 1.00 38.67 ? 203 ASN D CB 1 ATOM 6050 C CG . ASN D 4 204 ? -101.149 -62.882 5.570 1.00 39.03 ? 203 ASN D CG 1 ATOM 6051 O OD1 . ASN D 4 204 ? -100.775 -62.220 4.591 1.00 38.84 ? 203 ASN D OD1 1 ATOM 6052 N ND2 . ASN D 4 204 ? -102.107 -62.479 6.392 1.00 38.67 ? 203 ASN D ND2 1 ATOM 6053 N N . HIS D 4 205 ? -98.076 -66.084 4.480 1.00 39.08 ? 204 HIS D N 1 ATOM 6054 C CA . HIS D 4 205 ? -97.082 -67.116 4.711 1.00 37.76 ? 204 HIS D CA 1 ATOM 6055 C C . HIS D 4 205 ? -96.118 -66.633 5.794 1.00 34.70 ? 204 HIS D C 1 ATOM 6056 O O . HIS D 4 205 ? -95.464 -65.592 5.642 1.00 34.78 ? 204 HIS D O 1 ATOM 6057 C CB . HIS D 4 205 ? -96.358 -67.425 3.394 1.00 39.50 ? 204 HIS D CB 1 ATOM 6058 C CG . HIS D 4 205 ? -95.515 -68.665 3.428 1.00 42.44 ? 204 HIS D CG 1 ATOM 6059 N ND1 . HIS D 4 205 ? -94.634 -68.988 2.419 1.00 47.32 ? 204 HIS D ND1 1 ATOM 6060 C CD2 . HIS D 4 205 ? -95.419 -69.663 4.341 1.00 44.34 ? 204 HIS D CD2 1 ATOM 6061 C CE1 . HIS D 4 205 ? -94.038 -70.133 2.702 1.00 47.59 ? 204 HIS D CE1 1 ATOM 6062 N NE2 . HIS D 4 205 ? -94.486 -70.557 3.869 1.00 45.70 ? 204 HIS D NE2 1 ATOM 6063 N N . PHE D 4 206 ? -96.056 -67.366 6.897 1.00 32.35 ? 205 PHE D N 1 ATOM 6064 C CA . PHE D 4 206 ? -95.237 -66.960 8.048 1.00 29.26 ? 205 PHE D CA 1 ATOM 6065 C C . PHE D 4 206 ? -94.014 -67.852 8.074 1.00 28.48 ? 205 PHE D C 1 ATOM 6066 O O . PHE D 4 206 ? -94.118 -69.065 7.850 1.00 29.27 ? 205 PHE D O 1 ATOM 6067 C CB . PHE D 4 206 ? -96.001 -67.138 9.351 1.00 28.55 ? 205 PHE D CB 1 ATOM 6068 C CG . PHE D 4 206 ? -97.245 -66.298 9.445 1.00 29.77 ? 205 PHE D CG 1 ATOM 6069 C CD1 . PHE D 4 206 ? -98.432 -66.689 8.791 1.00 31.42 ? 205 PHE D CD1 1 ATOM 6070 C CD2 . PHE D 4 206 ? -97.237 -65.120 10.176 1.00 28.51 ? 205 PHE D CD2 1 ATOM 6071 C CE1 . PHE D 4 206 ? -99.585 -65.893 8.868 1.00 32.33 ? 205 PHE D CE1 1 ATOM 6072 C CE2 . PHE D 4 206 ? -98.382 -64.329 10.291 1.00 30.74 ? 205 PHE D CE2 1 ATOM 6073 C CZ . PHE D 4 206 ? -99.568 -64.717 9.637 1.00 33.48 ? 205 PHE D CZ 1 ATOM 6074 N N . ARG D 4 207 ? -92.849 -67.263 8.328 1.00 27.22 ? 206 ARG D N 1 ATOM 6075 C CA . ARG D 4 207 ? -91.620 -68.056 8.375 1.00 27.07 ? 206 ARG D CA 1 ATOM 6076 C C . ARG D 4 207 ? -90.709 -67.534 9.479 1.00 26.73 ? 206 ARG D C 1 ATOM 6077 O O . ARG D 4 207 ? -90.470 -66.330 9.586 1.00 26.01 ? 206 ARG D O 1 ATOM 6078 C CB . ARG D 4 207 ? -90.878 -68.106 7.009 1.00 25.98 ? 206 ARG D CB 1 ATOM 6079 C CG . ARG D 4 207 ? -89.684 -69.102 7.024 1.00 26.06 ? 206 ARG D CG 1 ATOM 6080 C CD . ARG D 4 207 ? -88.939 -69.161 5.708 1.00 25.64 ? 206 ARG D CD 1 ATOM 6081 N NE . ARG D 4 207 ? -89.801 -69.588 4.601 1.00 26.92 ? 206 ARG D NE 1 ATOM 6082 C CZ . ARG D 4 207 ? -89.914 -70.862 4.232 1.00 29.17 ? 206 ARG D CZ 1 ATOM 6083 N NH1 . ARG D 4 207 ? -90.698 -71.195 3.208 1.00 29.33 ? 206 ARG D NH1 1 ATOM 6084 N NH2 . ARG D 4 207 ? -89.246 -71.806 4.909 1.00 26.73 ? 206 ARG D NH2 1 ATOM 6085 N N . CYS D 4 208 ? -90.209 -68.471 10.274 1.00 26.98 ? 207 CYS D N 1 ATOM 6086 C CA . CYS D 4 208 ? -89.219 -68.193 11.299 1.00 28.62 ? 207 CYS D CA 1 ATOM 6087 C C . CYS D 4 208 ? -87.872 -68.631 10.717 1.00 26.23 ? 207 CYS D C 1 ATOM 6088 O O . CYS D 4 208 ? -87.746 -69.784 10.328 1.00 27.83 ? 207 CYS D O 1 ATOM 6089 C CB . CYS D 4 208 ? -89.494 -69.031 12.570 1.00 28.71 ? 207 CYS D CB 1 ATOM 6090 S SG . CYS D 4 208 ? -88.162 -68.598 13.687 1.00 43.01 ? 207 CYS D SG 1 ATOM 6091 N N . GLN D 4 209 ? -86.878 -67.757 10.678 1.00 24.70 ? 208 GLN D N 1 ATOM 6092 C CA . GLN D 4 209 ? -85.578 -68.077 10.063 1.00 24.11 ? 208 GLN D CA 1 ATOM 6093 C C . GLN D 4 209 ? -84.451 -67.942 11.084 1.00 24.13 ? 208 GLN D C 1 ATOM 6094 O O . GLN D 4 209 ? -84.351 -66.936 11.801 1.00 24.01 ? 208 GLN D O 1 ATOM 6095 C CB . GLN D 4 209 ? -85.310 -67.115 8.903 1.00 24.83 ? 208 GLN D CB 1 ATOM 6096 C CG . GLN D 4 209 ? -83.868 -67.010 8.472 1.00 26.58 ? 208 GLN D CG 1 ATOM 6097 C CD . GLN D 4 209 ? -83.621 -66.087 7.301 1.00 26.97 ? 208 GLN D CD 1 ATOM 6098 O OE1 . GLN D 4 209 ? -84.118 -66.322 6.211 1.00 29.83 ? 208 GLN D OE1 1 ATOM 6099 N NE2 . GLN D 4 209 ? -82.791 -65.056 7.505 1.00 28.22 ? 208 GLN D NE2 1 ATOM 6100 N N . VAL D 4 210 ? -83.572 -68.931 11.131 1.00 23.90 ? 209 VAL D N 1 ATOM 6101 C CA . VAL D 4 210 ? -82.390 -68.790 11.949 1.00 23.59 ? 209 VAL D CA 1 ATOM 6102 C C . VAL D 4 210 ? -81.160 -68.899 11.100 1.00 23.55 ? 209 VAL D C 1 ATOM 6103 O O . VAL D 4 210 ? -80.907 -69.952 10.504 1.00 24.14 ? 209 VAL D O 1 ATOM 6104 C CB . VAL D 4 210 ? -82.313 -69.849 13.077 1.00 23.62 ? 209 VAL D CB 1 ATOM 6105 C CG1 . VAL D 4 210 ? -81.060 -69.670 13.859 1.00 25.25 ? 209 VAL D CG1 1 ATOM 6106 C CG2 . VAL D 4 210 ? -83.532 -69.763 14.017 1.00 23.92 ? 209 VAL D CG2 1 ATOM 6107 N N . GLN D 4 211 ? -80.373 -67.825 11.071 1.00 23.08 ? 210 GLN D N 1 ATOM 6108 C CA . GLN D 4 211 ? -79.075 -67.859 10.434 1.00 23.53 ? 210 GLN D CA 1 ATOM 6109 C C . GLN D 4 211 ? -78.071 -68.362 11.485 1.00 24.06 ? 210 GLN D C 1 ATOM 6110 O O . GLN D 4 211 ? -77.873 -67.732 12.546 1.00 24.00 ? 210 GLN D O 1 ATOM 6111 C CB . GLN D 4 211 ? -78.655 -66.484 9.923 1.00 23.17 ? 210 GLN D CB 1 ATOM 6112 C CG . GLN D 4 211 ? -77.211 -66.490 9.448 1.00 25.88 ? 210 GLN D CG 1 ATOM 6113 C CD . GLN D 4 211 ? -77.022 -67.136 8.039 1.00 28.14 ? 210 GLN D CD 1 ATOM 6114 O OE1 . GLN D 4 211 ? -76.403 -68.200 7.879 1.00 29.49 ? 210 GLN D OE1 1 ATOM 6115 N NE2 . GLN D 4 211 ? -77.570 -66.499 7.045 1.00 26.28 ? 210 GLN D NE2 1 ATOM 6116 N N . PHE D 4 212 ? -77.444 -69.500 11.186 1.00 23.69 ? 211 PHE D N 1 ATOM 6117 C CA . PHE D 4 212 ? -76.484 -70.093 12.085 1.00 22.73 ? 211 PHE D CA 1 ATOM 6118 C C . PHE D 4 212 ? -75.098 -69.799 11.559 1.00 24.41 ? 211 PHE D C 1 ATOM 6119 O O . PHE D 4 212 ? -74.825 -69.977 10.366 1.00 26.81 ? 211 PHE D O 1 ATOM 6120 C CB . PHE D 4 212 ? -76.741 -71.604 12.169 1.00 22.87 ? 211 PHE D CB 1 ATOM 6121 C CG . PHE D 4 212 ? -75.669 -72.374 12.901 1.00 21.89 ? 211 PHE D CG 1 ATOM 6122 C CD1 . PHE D 4 212 ? -75.537 -72.275 14.282 1.00 20.97 ? 211 PHE D CD1 1 ATOM 6123 C CD2 . PHE D 4 212 ? -74.792 -73.186 12.199 1.00 20.63 ? 211 PHE D CD2 1 ATOM 6124 C CE1 . PHE D 4 212 ? -74.521 -72.995 14.950 1.00 24.69 ? 211 PHE D CE1 1 ATOM 6125 C CE2 . PHE D 4 212 ? -73.769 -73.928 12.862 1.00 24.57 ? 211 PHE D CE2 1 ATOM 6126 C CZ . PHE D 4 212 ? -73.630 -73.822 14.240 1.00 22.84 ? 211 PHE D CZ 1 ATOM 6127 N N . TYR D 4 213 ? -74.200 -69.371 12.423 1.00 25.25 ? 212 TYR D N 1 ATOM 6128 C CA . TYR D 4 213 ? -72.800 -69.283 12.030 1.00 26.91 ? 212 TYR D CA 1 ATOM 6129 C C . TYR D 4 213 ? -71.981 -70.485 12.522 1.00 27.81 ? 212 TYR D C 1 ATOM 6130 O O . TYR D 4 213 ? -72.008 -70.826 13.684 1.00 27.72 ? 212 TYR D O 1 ATOM 6131 C CB . TYR D 4 213 ? -72.239 -67.953 12.499 1.00 27.84 ? 212 TYR D CB 1 ATOM 6132 C CG . TYR D 4 213 ? -72.968 -66.834 11.808 1.00 28.73 ? 212 TYR D CG 1 ATOM 6133 C CD1 . TYR D 4 213 ? -74.102 -66.237 12.384 1.00 27.18 ? 212 TYR D CD1 1 ATOM 6134 C CD2 . TYR D 4 213 ? -72.581 -66.433 10.531 1.00 29.83 ? 212 TYR D CD2 1 ATOM 6135 C CE1 . TYR D 4 213 ? -74.780 -65.248 11.730 1.00 29.15 ? 212 TYR D CE1 1 ATOM 6136 C CE2 . TYR D 4 213 ? -73.255 -65.438 9.862 1.00 32.22 ? 212 TYR D CE2 1 ATOM 6137 C CZ . TYR D 4 213 ? -74.347 -64.853 10.462 1.00 32.76 ? 212 TYR D CZ 1 ATOM 6138 O OH . TYR D 4 213 ? -74.994 -63.861 9.781 1.00 37.81 ? 212 TYR D OH 1 ATOM 6139 N N . GLY D 4 214 ? -71.259 -71.124 11.608 1.00 29.51 ? 213 GLY D N 1 ATOM 6140 C CA . GLY D 4 214 ? -70.505 -72.350 11.901 1.00 28.95 ? 213 GLY D CA 1 ATOM 6141 C C . GLY D 4 214 ? -69.255 -72.414 11.057 1.00 31.42 ? 213 GLY D C 1 ATOM 6142 O O . GLY D 4 214 ? -68.571 -71.388 10.801 1.00 32.22 ? 213 GLY D O 1 ATOM 6143 N N . LEU D 4 215 ? -68.974 -73.617 10.582 1.00 32.01 ? 214 LEU D N 1 ATOM 6144 C CA . LEU D 4 215 ? -67.790 -73.869 9.787 1.00 33.91 ? 214 LEU D CA 1 ATOM 6145 C C . LEU D 4 215 ? -67.896 -73.253 8.391 1.00 35.64 ? 214 LEU D C 1 ATOM 6146 O O . LEU D 4 215 ? -68.988 -72.933 7.906 1.00 34.41 ? 214 LEU D O 1 ATOM 6147 C CB . LEU D 4 215 ? -67.551 -75.373 9.705 1.00 34.06 ? 214 LEU D CB 1 ATOM 6148 C CG . LEU D 4 215 ? -66.751 -75.984 10.855 1.00 33.16 ? 214 LEU D CG 1 ATOM 6149 C CD1 . LEU D 4 215 ? -67.410 -75.773 12.225 1.00 30.92 ? 214 LEU D CD1 1 ATOM 6150 C CD2 . LEU D 4 215 ? -66.468 -77.457 10.604 1.00 32.86 ? 214 LEU D CD2 1 ATOM 6151 N N . SER D 4 216 ? -66.753 -73.055 7.755 1.00 39.21 ? 215 SER D N 1 ATOM 6152 C CA . SER D 4 216 ? -66.754 -72.637 6.378 1.00 42.97 ? 215 SER D CA 1 ATOM 6153 C C . SER D 4 216 ? -66.483 -73.872 5.539 1.00 45.95 ? 215 SER D C 1 ATOM 6154 O O . SER D 4 216 ? -66.140 -74.929 6.069 1.00 46.08 ? 215 SER D O 1 ATOM 6155 C CB . SER D 4 216 ? -65.705 -71.567 6.120 1.00 44.37 ? 215 SER D CB 1 ATOM 6156 O OG . SER D 4 216 ? -64.450 -72.167 6.220 1.00 48.18 ? 215 SER D OG 1 ATOM 6157 N N . GLU D 4 217 ? -66.666 -73.721 4.234 1.00 49.67 ? 216 GLU D N 1 ATOM 6158 C CA . GLU D 4 217 ? -66.546 -74.805 3.267 1.00 54.01 ? 216 GLU D CA 1 ATOM 6159 C C . GLU D 4 217 ? -65.126 -75.314 3.308 1.00 55.99 ? 216 GLU D C 1 ATOM 6160 O O . GLU D 4 217 ? -64.849 -76.436 2.912 1.00 58.01 ? 216 GLU D O 1 ATOM 6161 C CB . GLU D 4 217 ? -66.899 -74.299 1.853 1.00 56.71 ? 216 GLU D CB 1 ATOM 6162 C CG . GLU D 4 217 ? -68.186 -73.408 1.809 1.00 59.31 ? 216 GLU D CG 1 ATOM 6163 C CD . GLU D 4 217 ? -69.334 -73.958 0.927 1.00 65.15 ? 216 GLU D CD 1 ATOM 6164 O OE1 . GLU D 4 217 ? -70.517 -73.836 1.361 1.00 63.72 ? 216 GLU D OE1 1 ATOM 6165 O OE2 . GLU D 4 217 ? -69.056 -74.480 -0.195 1.00 67.31 ? 216 GLU D OE2 1 ATOM 6166 N N . ASN D 4 218 ? -64.233 -74.494 3.845 1.00 56.33 ? 217 ASN D N 1 ATOM 6167 C CA . ASN D 4 218 ? -62.826 -74.828 3.870 1.00 58.24 ? 217 ASN D CA 1 ATOM 6168 C C . ASN D 4 218 ? -62.204 -75.300 5.219 1.00 57.41 ? 217 ASN D C 1 ATOM 6169 O O . ASN D 4 218 ? -61.009 -75.613 5.281 1.00 59.32 ? 217 ASN D O 1 ATOM 6170 C CB . ASN D 4 218 ? -62.054 -73.698 3.196 1.00 60.98 ? 217 ASN D CB 1 ATOM 6171 C CG . ASN D 4 218 ? -62.039 -73.853 1.666 1.00 64.66 ? 217 ASN D CG 1 ATOM 6172 O OD1 . ASN D 4 218 ? -61.052 -74.323 1.083 1.00 68.05 ? 217 ASN D OD1 1 ATOM 6173 N ND2 . ASN D 4 218 ? -63.157 -73.531 1.028 1.00 63.98 ? 217 ASN D ND2 1 ATOM 6174 N N . ASP D 4 219 ? -63.021 -75.371 6.276 1.00 53.64 ? 218 ASP D N 1 ATOM 6175 C CA . ASP D 4 219 ? -62.603 -75.942 7.552 1.00 52.48 ? 218 ASP D CA 1 ATOM 6176 C C . ASP D 4 219 ? -62.551 -77.476 7.384 1.00 52.58 ? 218 ASP D C 1 ATOM 6177 O O . ASP D 4 219 ? -63.358 -78.053 6.661 1.00 52.64 ? 218 ASP D O 1 ATOM 6178 C CB . ASP D 4 219 ? -63.602 -75.541 8.672 1.00 50.01 ? 218 ASP D CB 1 ATOM 6179 C CG . ASP D 4 219 ? -63.281 -74.158 9.334 1.00 50.87 ? 218 ASP D CG 1 ATOM 6180 O OD1 . ASP D 4 219 ? -62.120 -73.946 9.802 1.00 52.03 ? 218 ASP D OD1 1 ATOM 6181 O OD2 . ASP D 4 219 ? -64.204 -73.292 9.424 1.00 48.96 ? 218 ASP D OD2 1 ATOM 6182 N N . GLU D 4 220 ? -61.601 -78.134 8.031 1.00 52.95 ? 219 GLU D N 1 ATOM 6183 C CA . GLU D 4 220 ? -61.534 -79.589 8.006 1.00 53.28 ? 219 GLU D CA 1 ATOM 6184 C C . GLU D 4 220 ? -62.569 -80.219 8.942 1.00 50.97 ? 219 GLU D C 1 ATOM 6185 O O . GLU D 4 220 ? -62.888 -79.661 9.979 1.00 48.90 ? 219 GLU D O 1 ATOM 6186 C CB . GLU D 4 220 ? -60.127 -80.059 8.388 1.00 56.45 ? 219 GLU D CB 1 ATOM 6187 N N . TRP D 4 221 ? -63.077 -81.395 8.586 1.00 51.19 ? 220 TRP D N 1 ATOM 6188 C CA . TRP D 4 221 ? -64.087 -82.067 9.398 1.00 49.86 ? 220 TRP D CA 1 ATOM 6189 C C . TRP D 4 221 ? -63.847 -83.568 9.468 1.00 53.01 ? 220 TRP D C 1 ATOM 6190 O O . TRP D 4 221 ? -63.894 -84.251 8.451 1.00 54.75 ? 220 TRP D O 1 ATOM 6191 C CB . TRP D 4 221 ? -65.468 -81.787 8.831 1.00 46.92 ? 220 TRP D CB 1 ATOM 6192 C CG . TRP D 4 221 ? -66.590 -82.232 9.708 1.00 45.09 ? 220 TRP D CG 1 ATOM 6193 C CD1 . TRP D 4 221 ? -67.540 -83.166 9.412 1.00 44.99 ? 220 TRP D CD1 1 ATOM 6194 C CD2 . TRP D 4 221 ? -66.902 -81.746 11.015 1.00 41.48 ? 220 TRP D CD2 1 ATOM 6195 N NE1 . TRP D 4 221 ? -68.423 -83.294 10.455 1.00 43.46 ? 220 TRP D NE1 1 ATOM 6196 C CE2 . TRP D 4 221 ? -68.053 -82.436 11.454 1.00 42.04 ? 220 TRP D CE2 1 ATOM 6197 C CE3 . TRP D 4 221 ? -66.319 -80.798 11.860 1.00 39.07 ? 220 TRP D CE3 1 ATOM 6198 C CZ2 . TRP D 4 221 ? -68.632 -82.210 12.710 1.00 40.73 ? 220 TRP D CZ2 1 ATOM 6199 C CZ3 . TRP D 4 221 ? -66.895 -80.565 13.101 1.00 40.05 ? 220 TRP D CZ3 1 ATOM 6200 C CH2 . TRP D 4 221 ? -68.041 -81.273 13.518 1.00 38.23 ? 220 TRP D CH2 1 ATOM 6201 N N . THR D 4 222 ? -63.605 -84.087 10.664 1.00 54.55 ? 221 THR D N 1 ATOM 6202 C CA . THR D 4 222 ? -63.227 -85.511 10.806 1.00 58.80 ? 221 THR D CA 1 ATOM 6203 C C . THR D 4 222 ? -64.341 -86.446 11.280 1.00 59.62 ? 221 THR D C 1 ATOM 6204 O O . THR D 4 222 ? -64.162 -87.651 11.278 1.00 63.32 ? 221 THR D O 1 ATOM 6205 C CB . THR D 4 222 ? -62.054 -85.699 11.787 1.00 60.90 ? 221 THR D CB 1 ATOM 6206 O OG1 . THR D 4 222 ? -62.468 -85.311 13.107 1.00 59.31 ? 221 THR D OG1 1 ATOM 6207 C CG2 . THR D 4 222 ? -60.825 -84.893 11.347 1.00 61.33 ? 221 THR D CG2 1 ATOM 6208 N N . GLN D 4 223 ? -65.467 -85.886 11.710 1.00 57.32 ? 222 GLN D N 1 ATOM 6209 C CA . GLN D 4 223 ? -66.563 -86.677 12.265 1.00 58.40 ? 222 GLN D CA 1 ATOM 6210 C C . GLN D 4 223 ? -67.494 -87.219 11.185 1.00 59.35 ? 222 GLN D C 1 ATOM 6211 O O . GLN D 4 223 ? -67.563 -86.676 10.078 1.00 57.91 ? 222 GLN D O 1 ATOM 6212 C CB . GLN D 4 223 ? -67.354 -85.863 13.303 1.00 55.56 ? 222 GLN D CB 1 ATOM 6213 C CG . GLN D 4 223 ? -66.583 -85.539 14.584 1.00 55.50 ? 222 GLN D CG 1 ATOM 6214 C CD . GLN D 4 223 ? -67.278 -84.495 15.437 1.00 52.95 ? 222 GLN D CD 1 ATOM 6215 O OE1 . GLN D 4 223 ? -68.498 -84.507 15.574 1.00 55.23 ? 222 GLN D OE1 1 ATOM 6216 N NE2 . GLN D 4 223 ? -66.508 -83.582 16.012 1.00 50.32 ? 222 GLN D NE2 1 ATOM 6217 N N . ASP D 4 224 ? -68.198 -88.296 11.534 1.00 62.66 ? 223 ASP D N 1 ATOM 6218 C CA . ASP D 4 224 ? -69.180 -88.949 10.670 1.00 64.68 ? 223 ASP D CA 1 ATOM 6219 C C . ASP D 4 224 ? -70.370 -88.025 10.384 1.00 60.98 ? 223 ASP D C 1 ATOM 6220 O O . ASP D 4 224 ? -70.869 -88.020 9.262 1.00 61.58 ? 223 ASP D O 1 ATOM 6221 C CB . ASP D 4 224 ? -69.636 -90.286 11.301 1.00 69.15 ? 223 ASP D CB 1 ATOM 6222 C CG . ASP D 4 224 ? -70.448 -91.201 10.324 1.00 74.71 ? 223 ASP D CG 1 ATOM 6223 O OD1 . ASP D 4 224 ? -71.355 -90.704 9.612 1.00 75.47 ? 223 ASP D OD1 1 ATOM 6224 O OD2 . ASP D 4 224 ? -70.214 -92.441 10.296 1.00 78.61 ? 223 ASP D OD2 1 ATOM 6225 N N . ARG D 4 225 ? -70.821 -87.236 11.366 1.00 57.60 ? 224 ARG D N 1 ATOM 6226 C CA . ARG D 4 225 ? -72.016 -86.392 11.162 1.00 54.27 ? 224 ARG D CA 1 ATOM 6227 C C . ARG D 4 225 ? -71.791 -85.338 10.051 1.00 51.26 ? 224 ARG D C 1 ATOM 6228 O O . ARG D 4 225 ? -70.645 -85.090 9.675 1.00 51.75 ? 224 ARG D O 1 ATOM 6229 C CB . ARG D 4 225 ? -72.501 -85.750 12.482 1.00 52.88 ? 224 ARG D CB 1 ATOM 6230 C CG . ARG D 4 225 ? -71.500 -84.793 13.178 1.00 49.66 ? 224 ARG D CG 1 ATOM 6231 C CD . ARG D 4 225 ? -71.980 -84.446 14.581 1.00 47.44 ? 224 ARG D CD 1 ATOM 6232 N NE . ARG D 4 225 ? -71.100 -83.533 15.325 1.00 45.71 ? 224 ARG D NE 1 ATOM 6233 C CZ . ARG D 4 225 ? -71.195 -82.193 15.307 1.00 39.97 ? 224 ARG D CZ 1 ATOM 6234 N NH1 . ARG D 4 225 ? -72.107 -81.583 14.556 1.00 32.81 ? 224 ARG D NH1 1 ATOM 6235 N NH2 . ARG D 4 225 ? -70.349 -81.460 16.029 1.00 36.04 ? 224 ARG D NH2 1 ATOM 6236 N N . ALA D 4 226 ? -72.865 -84.758 9.502 1.00 48.39 ? 225 ALA D N 1 ATOM 6237 C CA . ALA D 4 226 ? -72.731 -83.745 8.460 1.00 45.69 ? 225 ALA D CA 1 ATOM 6238 C C . ALA D 4 226 ? -71.945 -82.551 9.003 1.00 43.27 ? 225 ALA D C 1 ATOM 6239 O O . ALA D 4 226 ? -72.107 -82.156 10.164 1.00 41.82 ? 225 ALA D O 1 ATOM 6240 C CB . ALA D 4 226 ? -74.085 -83.286 7.972 1.00 44.79 ? 225 ALA D CB 1 ATOM 6241 N N . LYS D 4 227 ? -71.098 -81.983 8.155 1.00 42.58 ? 226 LYS D N 1 ATOM 6242 C CA . LYS D 4 227 ? -70.303 -80.810 8.494 1.00 40.68 ? 226 LYS D CA 1 ATOM 6243 C C . LYS D 4 227 ? -71.171 -79.600 8.882 1.00 37.47 ? 226 LYS D C 1 ATOM 6244 O O . LYS D 4 227 ? -72.023 -79.186 8.091 1.00 37.26 ? 226 LYS D O 1 ATOM 6245 C CB . LYS D 4 227 ? -69.418 -80.483 7.310 1.00 41.96 ? 226 LYS D CB 1 ATOM 6246 C CG . LYS D 4 227 ? -68.275 -79.570 7.608 1.00 42.94 ? 226 LYS D CG 1 ATOM 6247 C CD . LYS D 4 227 ? -67.424 -79.451 6.370 1.00 48.44 ? 226 LYS D CD 1 ATOM 6248 C CE . LYS D 4 227 ? -66.640 -78.163 6.400 1.00 51.09 ? 226 LYS D CE 1 ATOM 6249 N NZ . LYS D 4 227 ? -66.072 -77.869 5.055 1.00 56.89 ? 226 LYS D NZ 1 ATOM 6250 N N . PRO D 4 228 ? -70.975 -79.038 10.111 1.00 35.43 ? 227 PRO D N 1 ATOM 6251 C CA . PRO D 4 228 ? -71.854 -77.988 10.635 1.00 32.57 ? 227 PRO D CA 1 ATOM 6252 C C . PRO D 4 228 ? -71.531 -76.601 10.096 1.00 31.61 ? 227 PRO D C 1 ATOM 6253 O O . PRO D 4 228 ? -71.040 -75.729 10.835 1.00 30.68 ? 227 PRO D O 1 ATOM 6254 C CB . PRO D 4 228 ? -71.637 -78.072 12.153 1.00 32.70 ? 227 PRO D CB 1 ATOM 6255 C CG . PRO D 4 228 ? -70.288 -78.638 12.318 1.00 33.65 ? 227 PRO D CG 1 ATOM 6256 C CD . PRO D 4 228 ? -70.026 -79.510 11.133 1.00 36.37 ? 227 PRO D CD 1 ATOM 6257 N N . VAL D 4 229 ? -71.812 -76.402 8.805 1.00 31.47 ? 228 VAL D N 1 ATOM 6258 C CA . VAL D 4 229 ? -71.479 -75.157 8.129 1.00 29.98 ? 228 VAL D CA 1 ATOM 6259 C C . VAL D 4 229 ? -72.460 -74.057 8.493 1.00 27.77 ? 228 VAL D C 1 ATOM 6260 O O . VAL D 4 229 ? -73.600 -74.299 8.883 1.00 27.14 ? 228 VAL D O 1 ATOM 6261 C CB . VAL D 4 229 ? -71.432 -75.319 6.545 1.00 32.42 ? 228 VAL D CB 1 ATOM 6262 C CG1 . VAL D 4 229 ? -70.269 -76.191 6.124 1.00 33.53 ? 228 VAL D CG1 1 ATOM 6263 C CG2 . VAL D 4 229 ? -72.759 -75.859 5.964 1.00 30.79 ? 228 VAL D CG2 1 ATOM 6264 N N . THR D 4 230 ? -72.001 -72.837 8.346 1.00 26.94 ? 229 THR D N 1 ATOM 6265 C CA . THR D 4 230 ? -72.862 -71.667 8.306 1.00 25.70 ? 229 THR D CA 1 ATOM 6266 C C . THR D 4 230 ? -74.029 -71.954 7.351 1.00 24.83 ? 229 THR D C 1 ATOM 6267 O O . THR D 4 230 ? -73.772 -72.368 6.259 1.00 25.29 ? 229 THR D O 1 ATOM 6268 C CB . THR D 4 230 ? -72.010 -70.510 7.802 1.00 26.32 ? 229 THR D CB 1 ATOM 6269 O OG1 . THR D 4 230 ? -70.961 -70.311 8.766 1.00 28.74 ? 229 THR D OG1 1 ATOM 6270 C CG2 . THR D 4 230 ? -72.824 -69.243 7.590 1.00 24.58 ? 229 THR D CG2 1 ATOM 6271 N N . GLN D 4 231 ? -75.278 -71.761 7.792 1.00 23.37 ? 230 GLN D N 1 ATOM 6272 C CA . GLN D 4 231 ? -76.473 -72.123 7.021 1.00 24.13 ? 230 GLN D CA 1 ATOM 6273 C C . GLN D 4 231 ? -77.711 -71.480 7.652 1.00 23.69 ? 230 GLN D C 1 ATOM 6274 O O . GLN D 4 231 ? -77.696 -71.057 8.794 1.00 24.20 ? 230 GLN D O 1 ATOM 6275 C CB . GLN D 4 231 ? -76.667 -73.659 7.011 1.00 24.64 ? 230 GLN D CB 1 ATOM 6276 C CG . GLN D 4 231 ? -76.912 -74.268 8.429 1.00 22.81 ? 230 GLN D CG 1 ATOM 6277 C CD . GLN D 4 231 ? -76.780 -75.778 8.465 1.00 24.67 ? 230 GLN D CD 1 ATOM 6278 O OE1 . GLN D 4 231 ? -77.758 -76.490 8.267 1.00 23.41 ? 230 GLN D OE1 1 ATOM 6279 N NE2 . GLN D 4 231 ? -75.561 -76.274 8.678 1.00 22.92 ? 230 GLN D NE2 1 ATOM 6280 N N . ILE D 4 232 ? -78.785 -71.397 6.894 1.00 24.70 ? 231 ILE D N 1 ATOM 6281 C CA . ILE D 4 232 ? -80.065 -70.986 7.418 1.00 23.63 ? 231 ILE D CA 1 ATOM 6282 C C . ILE D 4 232 ? -80.880 -72.244 7.678 1.00 23.96 ? 231 ILE D C 1 ATOM 6283 O O . ILE D 4 232 ? -80.934 -73.130 6.836 1.00 25.56 ? 231 ILE D O 1 ATOM 6284 C CB . ILE D 4 232 ? -80.776 -70.114 6.386 1.00 24.27 ? 231 ILE D CB 1 ATOM 6285 C CG1 . ILE D 4 232 ? -80.108 -68.736 6.316 1.00 24.98 ? 231 ILE D CG1 1 ATOM 6286 C CG2 . ILE D 4 232 ? -82.304 -70.020 6.687 1.00 21.88 ? 231 ILE D CG2 1 ATOM 6287 C CD1 . ILE D 4 232 ? -80.446 -67.936 5.069 1.00 24.09 ? 231 ILE D CD1 1 ATOM 6288 N N . VAL D 4 233 ? -81.448 -72.341 8.873 1.00 24.48 ? 232 VAL D N 1 ATOM 6289 C CA . VAL D 4 233 ? -82.518 -73.307 9.162 1.00 24.86 ? 232 VAL D CA 1 ATOM 6290 C C . VAL D 4 233 ? -83.816 -72.515 9.466 1.00 24.73 ? 232 VAL D C 1 ATOM 6291 O O . VAL D 4 233 ? -83.803 -71.477 10.122 1.00 23.39 ? 232 VAL D O 1 ATOM 6292 C CB . VAL D 4 233 ? -82.148 -74.261 10.338 1.00 26.22 ? 232 VAL D CB 1 ATOM 6293 C CG1 . VAL D 4 233 ? -83.192 -75.373 10.503 1.00 24.06 ? 232 VAL D CG1 1 ATOM 6294 C CG2 . VAL D 4 233 ? -80.688 -74.850 10.162 1.00 25.03 ? 232 VAL D CG2 1 ATOM 6295 N N . SER D 4 234 ? -84.935 -73.043 9.015 1.00 25.98 ? 233 SER D N 1 ATOM 6296 C CA . SER D 4 234 ? -86.148 -72.275 8.966 1.00 27.62 ? 233 SER D CA 1 ATOM 6297 C C . SER D 4 234 ? -87.383 -73.171 9.136 1.00 27.44 ? 233 SER D C 1 ATOM 6298 O O . SER D 4 234 ? -87.366 -74.350 8.813 1.00 28.50 ? 233 SER D O 1 ATOM 6299 C CB . SER D 4 234 ? -86.120 -71.563 7.600 1.00 28.81 ? 233 SER D CB 1 ATOM 6300 O OG . SER D 4 234 ? -87.350 -71.144 7.197 1.00 35.63 ? 233 SER D OG 1 ATOM 6301 N N . ALA D 4 235 ? -88.456 -72.598 9.650 1.00 26.89 ? 234 ALA D N 1 ATOM 6302 C CA . ALA D 4 235 ? -89.754 -73.285 9.706 1.00 27.69 ? 234 ALA D CA 1 ATOM 6303 C C . ALA D 4 235 ? -90.842 -72.291 9.332 1.00 27.43 ? 234 ALA D C 1 ATOM 6304 O O . ALA D 4 235 ? -90.704 -71.064 9.541 1.00 26.91 ? 234 ALA D O 1 ATOM 6305 C CB . ALA D 4 235 ? -90.026 -73.867 11.123 1.00 26.91 ? 234 ALA D CB 1 ATOM 6306 N N . GLU D 4 236 ? -91.963 -72.820 8.883 1.00 28.45 ? 235 GLU D N 1 ATOM 6307 C CA . GLU D 4 236 ? -92.872 -72.049 8.088 1.00 30.15 ? 235 GLU D CA 1 ATOM 6308 C C . GLU D 4 236 ? -94.321 -72.509 8.368 1.00 32.04 ? 235 GLU D C 1 ATOM 6309 O O . GLU D 4 236 ? -94.536 -73.656 8.727 1.00 33.50 ? 235 GLU D O 1 ATOM 6310 C CB . GLU D 4 236 ? -92.404 -72.244 6.631 1.00 30.46 ? 235 GLU D CB 1 ATOM 6311 C CG . GLU D 4 236 ? -93.425 -72.256 5.562 1.00 39.64 ? 235 GLU D CG 1 ATOM 6312 C CD . GLU D 4 236 ? -93.975 -73.620 5.267 1.00 45.88 ? 235 GLU D CD 1 ATOM 6313 O OE1 . GLU D 4 236 ? -93.225 -74.607 5.404 1.00 50.28 ? 235 GLU D OE1 1 ATOM 6314 O OE2 . GLU D 4 236 ? -95.158 -73.706 4.874 1.00 50.33 ? 235 GLU D OE2 1 ATOM 6315 N N . ALA D 4 237 ? -95.308 -71.614 8.228 1.00 32.84 ? 236 ALA D N 1 ATOM 6316 C CA . ALA D 4 237 ? -96.733 -72.011 8.163 1.00 34.76 ? 236 ALA D CA 1 ATOM 6317 C C . ALA D 4 237 ? -97.547 -70.904 7.523 1.00 35.78 ? 236 ALA D C 1 ATOM 6318 O O . ALA D 4 237 ? -97.160 -69.721 7.581 1.00 34.41 ? 236 ALA D O 1 ATOM 6319 C CB . ALA D 4 237 ? -97.291 -72.295 9.538 1.00 34.71 ? 236 ALA D CB 1 ATOM 6320 N N . TRP D 4 238 ? -98.683 -71.297 6.955 1.00 38.05 ? 237 TRP D N 1 ATOM 6321 C CA . TRP D 4 238 ? -99.667 -70.387 6.381 1.00 40.04 ? 237 TRP D CA 1 ATOM 6322 C C . TRP D 4 238 ? -100.775 -70.121 7.376 1.00 41.17 ? 237 TRP D C 1 ATOM 6323 O O . TRP D 4 238 ? -101.167 -71.004 8.141 1.00 41.92 ? 237 TRP D O 1 ATOM 6324 C CB . TRP D 4 238 ? -100.301 -71.007 5.133 1.00 42.20 ? 237 TRP D CB 1 ATOM 6325 C CG . TRP D 4 238 ? -99.329 -71.221 4.017 1.00 43.40 ? 237 TRP D CG 1 ATOM 6326 C CD1 . TRP D 4 238 ? -98.484 -72.292 3.849 1.00 43.71 ? 237 TRP D CD1 1 ATOM 6327 C CD2 . TRP D 4 238 ? -99.090 -70.341 2.907 1.00 43.51 ? 237 TRP D CD2 1 ATOM 6328 N NE1 . TRP D 4 238 ? -97.746 -72.136 2.695 1.00 44.74 ? 237 TRP D NE1 1 ATOM 6329 C CE2 . TRP D 4 238 ? -98.093 -70.950 2.097 1.00 44.58 ? 237 TRP D CE2 1 ATOM 6330 C CE3 . TRP D 4 238 ? -99.640 -69.110 2.503 1.00 42.52 ? 237 TRP D CE3 1 ATOM 6331 C CZ2 . TRP D 4 238 ? -97.620 -70.361 0.914 1.00 45.35 ? 237 TRP D CZ2 1 ATOM 6332 C CZ3 . TRP D 4 238 ? -99.177 -68.522 1.328 1.00 44.65 ? 237 TRP D CZ3 1 ATOM 6333 C CH2 . TRP D 4 238 ? -98.174 -69.153 0.539 1.00 46.87 ? 237 TRP D CH2 1 ATOM 6334 N N . GLY D 4 239 ? -101.302 -68.911 7.344 1.00 41.86 ? 238 GLY D N 1 ATOM 6335 C CA . GLY D 4 239 ? -102.490 -68.600 8.109 1.00 45.46 ? 238 GLY D CA 1 ATOM 6336 C C . GLY D 4 239 ? -103.663 -69.477 7.686 1.00 50.06 ? 238 GLY D C 1 ATOM 6337 O O . GLY D 4 239 ? -103.669 -70.033 6.583 1.00 51.36 ? 238 GLY D O 1 ATOM 6338 N N . ARG D 4 240 ? -104.651 -69.595 8.573 1.00 53.33 ? 239 ARG D N 1 ATOM 6339 C CA . ARG D 4 240 ? -105.828 -70.475 8.371 1.00 58.55 ? 239 ARG D CA 1 ATOM 6340 C C . ARG D 4 240 ? -107.041 -69.885 9.083 1.00 60.69 ? 239 ARG D C 1 ATOM 6341 O O . ARG D 4 240 ? -106.920 -69.403 10.212 1.00 59.49 ? 239 ARG D O 1 ATOM 6342 C CB . ARG D 4 240 ? -105.551 -71.876 8.926 1.00 59.55 ? 239 ARG D CB 1 ATOM 6343 C CG . ARG D 4 240 ? -104.542 -71.862 10.081 1.00 60.85 ? 239 ARG D CG 1 ATOM 6344 C CD . ARG D 4 240 ? -104.620 -73.106 10.925 1.00 68.71 ? 239 ARG D CD 1 ATOM 6345 N NE . ARG D 4 240 ? -103.647 -74.131 10.530 1.00 71.57 ? 239 ARG D NE 1 ATOM 6346 C CZ . ARG D 4 240 ? -103.865 -75.443 10.672 1.00 75.81 ? 239 ARG D CZ 1 ATOM 6347 N NH1 . ARG D 4 240 ? -105.019 -75.871 11.185 1.00 76.40 ? 239 ARG D NH1 1 ATOM 6348 N NH2 . ARG D 4 240 ? -102.936 -76.328 10.299 1.00 76.44 ? 239 ARG D NH2 1 ATOM 6349 N N . ALA D 4 241 ? -108.201 -69.933 8.424 1.00 64.72 ? 240 ALA D N 1 ATOM 6350 C CA . ALA D 4 241 ? -109.461 -69.435 8.989 1.00 67.63 ? 240 ALA D CA 1 ATOM 6351 C C . ALA D 4 241 ? -110.099 -70.454 9.945 1.00 70.49 ? 240 ALA D C 1 ATOM 6352 O O . ALA D 4 241 ? -109.413 -71.038 10.797 1.00 69.73 ? 240 ALA D O 1 ATOM 6353 C CB . ALA D 4 241 ? -110.443 -69.058 7.870 1.00 69.76 ? 240 ALA D CB 1 HETATM 6354 C C1 . NAG E 5 . ? -34.409 -42.488 17.346 1.00 57.45 ? 500 NAG A C1 1 HETATM 6355 C C2 . NAG E 5 . ? -33.771 -43.800 17.903 1.00 67.56 ? 500 NAG A C2 1 HETATM 6356 C C3 . NAG E 5 . ? -32.882 -43.604 19.141 1.00 67.89 ? 500 NAG A C3 1 HETATM 6357 C C4 . NAG E 5 . ? -31.910 -42.464 18.906 1.00 66.86 ? 500 NAG A C4 1 HETATM 6358 C C5 . NAG E 5 . ? -32.727 -41.189 18.634 1.00 62.03 ? 500 NAG A C5 1 HETATM 6359 C C6 . NAG E 5 . ? -31.850 -39.938 18.489 1.00 60.17 ? 500 NAG A C6 1 HETATM 6360 C C7 . NAG E 5 . ? -35.265 -45.649 17.206 1.00 74.74 ? 500 NAG A C7 1 HETATM 6361 C C8 . NAG E 5 . ? -36.224 -46.731 17.646 1.00 76.70 ? 500 NAG A C8 1 HETATM 6362 N N2 . NAG E 5 . ? -34.725 -44.883 18.169 1.00 70.59 ? 500 NAG A N2 1 HETATM 6363 O O3 . NAG E 5 . ? -32.141 -44.777 19.419 1.00 73.58 ? 500 NAG A O3 1 HETATM 6364 O O4 . NAG E 5 . ? -31.060 -42.345 20.032 1.00 69.41 ? 500 NAG A O4 1 HETATM 6365 O O5 . NAG E 5 . ? -33.559 -41.348 17.483 1.00 58.13 ? 500 NAG A O5 1 HETATM 6366 O O6 . NAG E 5 . ? -30.944 -40.042 17.409 1.00 59.92 ? 500 NAG A O6 1 HETATM 6367 O O7 . NAG E 5 . ? -35.027 -45.507 16.000 1.00 74.96 ? 500 NAG A O7 1 HETATM 6368 C C1 . NAG F 5 . ? -38.649 -33.679 25.458 1.00 37.34 ? 501 NAG A C1 1 HETATM 6369 C C2 . NAG F 5 . ? -38.059 -35.087 25.612 1.00 40.64 ? 501 NAG A C2 1 HETATM 6370 C C3 . NAG F 5 . ? -39.110 -36.223 25.522 1.00 41.77 ? 501 NAG A C3 1 HETATM 6371 C C4 . NAG F 5 . ? -40.214 -36.010 26.559 1.00 43.68 ? 501 NAG A C4 1 HETATM 6372 C C5 . NAG F 5 . ? -40.795 -34.610 26.260 1.00 41.95 ? 501 NAG A C5 1 HETATM 6373 C C6 . NAG F 5 . ? -42.027 -34.298 27.126 1.00 40.51 ? 501 NAG A C6 1 HETATM 6374 C C7 . NAG F 5 . ? -35.752 -35.451 24.873 1.00 41.80 ? 501 NAG A C7 1 HETATM 6375 C C8 . NAG F 5 . ? -34.868 -35.733 23.689 1.00 41.01 ? 501 NAG A C8 1 HETATM 6376 N N2 . NAG F 5 . ? -37.048 -35.319 24.606 1.00 39.91 ? 501 NAG A N2 1 HETATM 6377 O O3 . NAG F 5 . ? -38.484 -37.461 25.776 1.00 44.90 ? 501 NAG A O3 1 HETATM 6378 O O4 . NAG F 5 . ? -41.164 -37.096 26.646 1.00 48.06 ? 501 NAG A O4 1 HETATM 6379 O O5 . NAG F 5 . ? -39.768 -33.578 26.352 1.00 38.62 ? 501 NAG A O5 1 HETATM 6380 O O6 . NAG F 5 . ? -41.614 -34.249 28.473 1.00 44.61 ? 501 NAG A O6 1 HETATM 6381 O O7 . NAG F 5 . ? -35.252 -35.353 25.994 1.00 44.63 ? 501 NAG A O7 1 HETATM 6382 C C1 . NAG G 5 . ? -57.734 -11.326 12.755 1.00 35.46 ? 511 NAG A C1 1 HETATM 6383 C C2 . NAG G 5 . ? -59.235 -11.496 12.546 1.00 37.55 ? 511 NAG A C2 1 HETATM 6384 C C3 . NAG G 5 . ? -59.547 -11.963 11.121 1.00 38.65 ? 511 NAG A C3 1 HETATM 6385 C C4 . NAG G 5 . ? -58.911 -11.052 10.061 1.00 42.37 ? 511 NAG A C4 1 HETATM 6386 C C5 . NAG G 5 . ? -57.410 -10.891 10.378 1.00 42.78 ? 511 NAG A C5 1 HETATM 6387 C C6 . NAG G 5 . ? -56.670 -9.970 9.378 1.00 47.44 ? 511 NAG A C6 1 HETATM 6388 C C7 . NAG G 5 . ? -60.249 -12.125 14.667 1.00 37.82 ? 511 NAG A C7 1 HETATM 6389 C C8 . NAG G 5 . ? -60.891 -13.191 15.521 1.00 32.93 ? 511 NAG A C8 1 HETATM 6390 N N2 . NAG G 5 . ? -59.816 -12.459 13.450 1.00 36.80 ? 511 NAG A N2 1 HETATM 6391 O O3 . NAG G 5 . ? -60.933 -12.094 10.902 1.00 34.61 ? 511 NAG A O3 1 HETATM 6392 O O4 . NAG G 5 . ? -59.051 -11.710 8.815 1.00 45.91 ? 511 NAG A O4 1 HETATM 6393 O O5 . NAG G 5 . ? -57.153 -10.516 11.757 1.00 39.28 ? 511 NAG A O5 1 HETATM 6394 O O6 . NAG G 5 . ? -55.362 -9.659 9.876 1.00 52.57 ? 511 NAG A O6 1 HETATM 6395 O O7 . NAG G 5 . ? -60.117 -10.985 15.093 1.00 39.84 ? 511 NAG A O7 1 HETATM 6396 C C1 . NAG H 5 . ? -60.053 -11.198 7.918 1.00 54.01 ? 512 NAG A C1 1 HETATM 6397 C C2 . NAG H 5 . ? -59.604 -11.530 6.488 1.00 56.32 ? 512 NAG A C2 1 HETATM 6398 C C3 . NAG H 5 . ? -60.683 -11.269 5.419 1.00 61.15 ? 512 NAG A C3 1 HETATM 6399 C C4 . NAG H 5 . ? -62.035 -11.855 5.845 1.00 63.89 ? 512 NAG A C4 1 HETATM 6400 C C5 . NAG H 5 . ? -62.350 -11.302 7.246 1.00 64.60 ? 512 NAG A C5 1 HETATM 6401 C C6 . NAG H 5 . ? -63.735 -11.695 7.766 1.00 67.02 ? 512 NAG A C6 1 HETATM 6402 C C7 . NAG H 5 . ? -57.332 -11.372 5.551 1.00 49.96 ? 512 NAG A C7 1 HETATM 6403 C C8 . NAG H 5 . ? -56.161 -10.481 5.291 1.00 50.64 ? 512 NAG A C8 1 HETATM 6404 N N2 . NAG H 5 . ? -58.381 -10.805 6.157 1.00 54.26 ? 512 NAG A N2 1 HETATM 6405 O O3 . NAG H 5 . ? -60.256 -11.881 4.222 1.00 61.84 ? 512 NAG A O3 1 HETATM 6406 O O4 . NAG H 5 . ? -63.053 -11.622 4.874 1.00 67.38 ? 512 NAG A O4 1 HETATM 6407 O O5 . NAG H 5 . ? -61.333 -11.754 8.158 1.00 58.59 ? 512 NAG A O5 1 HETATM 6408 O O6 . NAG H 5 . ? -63.533 -12.709 8.736 1.00 67.27 ? 512 NAG A O6 1 HETATM 6409 O O7 . NAG H 5 . ? -57.280 -12.548 5.205 1.00 47.32 ? 512 NAG A O7 1 HETATM 6410 C C1 . FUC I 6 . ? -54.215 -10.331 9.260 1.00 52.10 ? 513 FUC A C1 1 HETATM 6411 C C2 . FUC I 6 . ? -52.919 -9.532 9.519 1.00 52.52 ? 513 FUC A C2 1 HETATM 6412 C C3 . FUC I 6 . ? -52.598 -9.527 11.030 1.00 52.06 ? 513 FUC A C3 1 HETATM 6413 C C4 . FUC I 6 . ? -52.444 -10.981 11.512 1.00 49.11 ? 513 FUC A C4 1 HETATM 6414 C C5 . FUC I 6 . ? -53.717 -11.753 11.137 1.00 49.62 ? 513 FUC A C5 1 HETATM 6415 C C6 . FUC I 6 . ? -53.703 -13.228 11.557 1.00 46.48 ? 513 FUC A C6 1 HETATM 6416 O O2 . FUC I 6 . ? -53.053 -8.221 9.022 1.00 56.99 ? 513 FUC A O2 1 HETATM 6417 O O3 . FUC I 6 . ? -51.503 -8.691 11.404 1.00 49.25 ? 513 FUC A O3 1 HETATM 6418 O O4 . FUC I 6 . ? -51.309 -11.601 10.926 1.00 49.75 ? 513 FUC A O4 1 HETATM 6419 O O5 . FUC I 6 . ? -53.989 -11.645 9.736 1.00 51.19 ? 513 FUC A O5 1 HETATM 6420 C C1 . QUV J 7 . ? -54.531 -28.394 19.765 1.00 20.16 ? 286 QUV A C1 1 HETATM 6421 C C2 . QUV J 7 . ? -53.522 -27.725 18.834 1.00 19.83 ? 286 QUV A C2 1 HETATM 6422 N N2 . QUV J 7 . ? -53.873 -26.310 18.622 1.00 19.80 ? 286 QUV A N2 1 HETATM 6423 C C3 . QUV J 7 . ? -53.451 -28.435 17.483 1.00 23.22 ? 286 QUV A C3 1 HETATM 6424 O O3 . QUV J 7 . ? -53.001 -29.750 17.715 1.00 28.23 ? 286 QUV A O3 1 HETATM 6425 C C4 . QUV J 7 . ? -52.470 -27.774 16.505 1.00 24.87 ? 286 QUV A C4 1 HETATM 6426 O O4 . QUV J 7 . ? -52.469 -28.523 15.233 1.00 25.48 ? 286 QUV A O4 1 HETATM 6427 C C5 . QUV J 7 . ? -51.037 -27.643 17.092 1.00 23.67 ? 286 QUV A C5 1 HETATM 6428 C C6 . QUV J 7 . ? -49.970 -27.245 16.006 1.00 25.43 ? 286 QUV A C6 1 HETATM 6429 C C7 . QUV J 7 . ? -50.066 -25.773 15.566 1.00 28.57 ? 286 QUV A C7 1 HETATM 6430 C C8 . QUV J 7 . ? -48.825 -25.265 14.747 1.00 28.04 ? 286 QUV A C8 1 HETATM 6431 C C9 . QUV J 7 . ? -48.845 -25.744 13.273 1.00 30.72 ? 286 QUV A C9 1 HETATM 6432 C C10 . QUV J 7 . ? -47.616 -25.199 12.487 1.00 30.08 ? 286 QUV A C10 1 HETATM 6433 C C11 . QUV J 7 . ? -47.670 -25.624 11.000 1.00 32.73 ? 286 QUV A C11 1 HETATM 6434 C C12 . QUV J 7 . ? -46.880 -26.921 10.785 1.00 32.13 ? 286 QUV A C12 1 HETATM 6435 C C13 . QUV J 7 . ? -46.817 -27.370 9.319 1.00 33.58 ? 286 QUV A C13 1 HETATM 6436 C C14 . QUV J 7 . ? -46.300 -28.837 9.293 1.00 34.05 ? 286 QUV A C14 1 HETATM 6437 C C15 . QUV J 7 . ? -45.565 -29.236 8.007 1.00 32.98 ? 286 QUV A C15 1 HETATM 6438 C C16 . QUV J 7 . ? -45.848 -30.721 7.633 1.00 33.51 ? 286 QUV A C16 1 HETATM 6439 C C17 . QUV J 7 . ? -44.883 -31.728 8.244 1.00 31.83 ? 286 QUV A C17 1 HETATM 6440 C C18 . QUV J 7 . ? -44.996 -33.117 7.594 1.00 33.92 ? 286 QUV A C18 1 HETATM 6441 C C1A . QUV J 7 . ? -56.866 -28.890 19.751 1.00 22.87 ? 286 QUV A C1A 1 HETATM 6442 O O1A . QUV J 7 . ? -55.777 -28.354 19.087 1.00 21.91 ? 286 QUV A O1A 1 HETATM 6443 C C2A . QUV J 7 . ? -58.094 -28.838 18.809 1.00 26.09 ? 286 QUV A C2A 1 HETATM 6444 O O2A . QUV J 7 . ? -57.789 -29.518 17.600 1.00 22.67 ? 286 QUV A O2A 1 HETATM 6445 C C3A . QUV J 7 . ? -58.571 -27.374 18.539 1.00 22.67 ? 286 QUV A C3A 1 HETATM 6446 O O3A . QUV J 7 . ? -59.802 -27.418 17.863 1.00 22.91 ? 286 QUV A O3A 1 HETATM 6447 C C4A . QUV J 7 . ? -58.830 -26.687 19.867 1.00 26.44 ? 286 QUV A C4A 1 HETATM 6448 O O4A . QUV J 7 . ? -59.933 -27.328 20.526 1.00 25.04 ? 286 QUV A O4A 1 HETATM 6449 C C5M . QUV J 7 . ? -57.553 -26.776 20.721 1.00 28.25 ? 286 QUV A C5M 1 HETATM 6450 C C6A . QUV J 7 . ? -57.789 -26.280 22.147 1.00 31.86 ? 286 QUV A C6A 1 HETATM 6451 O O6A . QUV J 7 . ? -57.161 -28.149 20.923 1.00 25.88 ? 286 QUV A O6A 1 HETATM 6452 C CAA . QUV J 7 . ? -53.466 -25.399 19.515 1.00 23.27 ? 286 QUV A CAA 1 HETATM 6453 O OAA . QUV J 7 . ? -52.809 -25.673 20.524 1.00 24.34 ? 286 QUV A OAA 1 HETATM 6454 C CAB . QUV J 7 . ? -53.895 -23.952 19.237 1.00 25.09 ? 286 QUV A CAB 1 HETATM 6455 C CAC . QUV J 7 . ? -52.794 -22.940 19.429 1.00 22.98 ? 286 QUV A CAC 1 HETATM 6456 C CAD . QUV J 7 . ? -51.789 -22.935 18.289 1.00 23.97 ? 286 QUV A CAD 1 HETATM 6457 C CAE . QUV J 7 . ? -50.588 -22.125 18.759 1.00 26.32 ? 286 QUV A CAE 1 HETATM 6458 C CAF . QUV J 7 . ? -49.690 -21.749 17.596 1.00 32.03 ? 286 QUV A CAF 1 HETATM 6459 C CAG . QUV J 7 . ? -48.712 -20.635 18.075 1.00 35.24 ? 286 QUV A CAG 1 HETATM 6460 C CAH . QUV J 7 . ? -47.295 -21.186 17.968 1.00 35.36 ? 286 QUV A CAH 1 HETATM 6461 C CAI . QUV J 7 . ? -46.225 -20.161 18.373 1.00 37.23 ? 286 QUV A CAI 1 HETATM 6462 C CAJ . QUV J 7 . ? -45.459 -20.688 19.579 1.00 35.74 ? 286 QUV A CAJ 1 HETATM 6463 C CAK . QUV J 7 . ? -43.999 -20.331 19.598 1.00 35.83 ? 286 QUV A CAK 1 HETATM 6464 C CAL . QUV J 7 . ? -43.394 -20.967 20.865 1.00 35.79 ? 286 QUV A CAL 1 HETATM 6465 C CAM . QUV J 7 . ? -43.034 -19.913 21.930 1.00 37.53 ? 286 QUV A CAM 1 HETATM 6466 C CAN . QUV J 7 . ? -43.387 -20.421 23.347 1.00 37.30 ? 286 QUV A CAN 1 HETATM 6467 C CAO . QUV J 7 . ? -43.110 -19.362 24.429 1.00 36.21 ? 286 QUV A CAO 1 HETATM 6468 C CAP . QUV J 7 . ? -44.322 -18.442 24.606 1.00 36.61 ? 286 QUV A CAP 1 HETATM 6469 C CAQ . QUV J 7 . ? -44.182 -17.643 25.904 1.00 36.84 ? 286 QUV A CAQ 1 HETATM 6470 C CAR . QUV J 7 . ? -44.374 -16.142 25.739 1.00 37.18 ? 286 QUV A CAR 1 HETATM 6471 C CAS . QUV J 7 . ? -45.821 -15.702 26.015 1.00 39.54 ? 286 QUV A CAS 1 HETATM 6472 C CAT . QUV J 7 . ? -46.233 -14.659 24.975 1.00 40.09 ? 286 QUV A CAT 1 HETATM 6473 C CAU . QUV J 7 . ? -47.735 -14.608 24.734 1.00 42.01 ? 286 QUV A CAU 1 HETATM 6474 C CAV . QUV J 7 . ? -48.035 -13.974 23.360 1.00 43.25 ? 286 QUV A CAV 1 HETATM 6475 C CAW . QUV J 7 . ? -48.049 -15.059 22.287 1.00 43.94 ? 286 QUV A CAW 1 HETATM 6476 C CAX . QUV J 7 . ? -48.094 -14.460 20.899 1.00 46.54 ? 286 QUV A CAX 1 HETATM 6477 C CAY . QUV J 7 . ? -47.497 -15.420 19.856 1.00 47.30 ? 286 QUV A CAY 1 HETATM 6478 C CAZ . QUV J 7 . ? -48.534 -16.395 19.299 1.00 48.72 ? 286 QUV A CAZ 1 HETATM 6479 N NAZ . QUV J 7 . ? -56.571 -25.629 22.699 1.00 35.74 ? 286 QUV A NAZ 1 HETATM 6480 C CCI . QUV J 7 . ? -56.373 -24.297 22.604 1.00 37.70 ? 286 QUV A CCI 1 HETATM 6481 N NCJ . QUV J 7 . ? -55.246 -23.822 23.133 1.00 36.77 ? 286 QUV A NCJ 1 HETATM 6482 O OCK . QUV J 7 . ? -57.173 -23.545 22.019 1.00 39.70 ? 286 QUV A OCK 1 HETATM 6483 C CCL . QUV J 7 . ? -53.750 -21.905 23.381 1.00 35.60 ? 286 QUV A CCL 1 HETATM 6484 C CCM . QUV J 7 . ? -52.623 -22.638 23.022 1.00 34.81 ? 286 QUV A CCM 1 HETATM 6485 C CCN . QUV J 7 . ? -51.380 -22.004 22.996 1.00 35.62 ? 286 QUV A CCN 1 HETATM 6486 C CCO . QUV J 7 . ? -51.289 -20.642 23.337 1.00 35.64 ? 286 QUV A CCO 1 HETATM 6487 C CCP . QUV J 7 . ? -52.400 -19.907 23.672 1.00 31.79 ? 286 QUV A CCP 1 HETATM 6488 C CCQ . QUV J 7 . ? -53.632 -20.529 23.707 1.00 35.71 ? 286 QUV A CCQ 1 HETATM 6489 C CCR . QUV J 7 . ? -54.749 -19.761 24.078 1.00 39.03 ? 286 QUV A CCR 1 HETATM 6490 C CCS . QUV J 7 . ? -56.022 -20.364 24.124 1.00 42.18 ? 286 QUV A CCS 1 HETATM 6491 C CCT . QUV J 7 . ? -56.137 -21.732 23.788 1.00 41.02 ? 286 QUV A CCT 1 HETATM 6492 C CCU . QUV J 7 . ? -55.021 -22.512 23.366 1.00 37.95 ? 286 QUV A CCU 1 HETATM 6493 O O . HOH K 8 . ? -39.859 -26.280 24.873 1.00 24.41 ? 287 HOH A O 1 HETATM 6494 O O . HOH K 8 . ? -37.304 -15.051 12.896 1.00 39.85 ? 288 HOH A O 1 HETATM 6495 O O . HOH K 8 . ? -52.194 -35.703 16.265 1.00 20.62 ? 289 HOH A O 1 HETATM 6496 O O . HOH K 8 . ? -46.919 -35.568 22.073 1.00 23.67 ? 290 HOH A O 1 HETATM 6497 O O . HOH K 8 . ? -53.465 -25.685 24.362 1.00 34.53 ? 291 HOH A O 1 HETATM 6498 O O . HOH K 8 . ? -21.327 0.226 11.740 1.00 46.37 ? 292 HOH A O 1 HETATM 6499 O O . HOH K 8 . ? -29.914 -2.538 20.222 1.00 42.48 ? 293 HOH A O 1 HETATM 6500 O O . HOH K 8 . ? -39.172 0.110 33.867 1.00 51.81 ? 294 HOH A O 1 HETATM 6501 O O . HOH K 8 . ? -42.425 -10.060 35.414 1.00 32.66 ? 295 HOH A O 1 HETATM 6502 O O . HOH K 8 . ? -35.821 -33.117 27.429 1.00 31.11 ? 296 HOH A O 1 HETATM 6503 O O . HOH K 8 . ? -36.975 -9.532 18.256 1.00 25.74 ? 297 HOH A O 1 HETATM 6504 O O . HOH K 8 . ? -60.898 -16.274 17.429 1.00 34.97 ? 298 HOH A O 1 HETATM 6505 O O . HOH K 8 . ? -44.403 -40.313 12.649 1.00 23.82 ? 299 HOH A O 1 HETATM 6506 O O . HOH K 8 . ? -41.386 -32.063 23.488 1.00 36.11 ? 300 HOH A O 1 HETATM 6507 O O . HOH K 8 . ? -36.861 -25.951 9.638 1.00 26.87 ? 301 HOH A O 1 HETATM 6508 O O . HOH K 8 . ? -38.515 -43.752 12.619 1.00 40.87 ? 302 HOH A O 1 HETATM 6509 O O . HOH K 8 . ? -54.430 -4.373 19.567 1.00 56.13 ? 303 HOH A O 1 HETATM 6510 O O . HOH K 8 . ? -48.111 -14.628 9.102 1.00 26.37 ? 304 HOH A O 1 HETATM 6511 O O . HOH K 8 . ? -36.862 -23.624 30.307 1.00 36.78 ? 305 HOH A O 1 HETATM 6512 O O . HOH K 8 . ? -44.719 -20.824 -6.465 1.00 51.32 ? 306 HOH A O 1 HETATM 6513 O O . HOH K 8 . ? -48.208 -7.384 29.373 1.00 34.73 ? 307 HOH A O 1 HETATM 6514 O O . HOH K 8 . ? -29.435 -17.302 26.136 1.00 36.65 ? 308 HOH A O 1 HETATM 6515 O O . HOH K 8 . ? -52.848 -27.529 22.345 1.00 28.63 ? 309 HOH A O 1 HETATM 6516 O O . HOH K 8 . ? -26.260 -11.520 25.718 1.00 44.85 ? 310 HOH A O 1 HETATM 6517 O O . HOH K 8 . ? -52.664 -30.273 -4.474 1.00 36.15 ? 311 HOH A O 1 HETATM 6518 O O . HOH K 8 . ? -37.098 -5.136 17.185 1.00 36.47 ? 312 HOH A O 1 HETATM 6519 O O . HOH K 8 . ? -52.097 -22.690 0.728 1.00 35.96 ? 313 HOH A O 1 HETATM 6520 O O . HOH K 8 . ? -45.745 -29.346 27.451 1.00 34.14 ? 314 HOH A O 1 HETATM 6521 O O . HOH K 8 . ? -49.040 -43.828 6.824 1.00 38.06 ? 315 HOH A O 1 HETATM 6522 O O . HOH K 8 . ? -47.385 -25.632 35.545 1.00 50.68 ? 316 HOH A O 1 HETATM 6523 O O . HOH K 8 . ? -33.128 -31.315 13.068 1.00 44.62 ? 317 HOH A O 1 HETATM 6524 O O . HOH K 8 . ? -54.817 -28.318 13.937 1.00 28.53 ? 318 HOH A O 1 HETATM 6525 O O . HOH K 8 . ? -50.228 -25.551 34.412 1.00 53.88 ? 319 HOH A O 1 HETATM 6526 O O . HOH K 8 . ? -44.506 -13.785 3.710 1.00 36.70 ? 320 HOH A O 1 HETATM 6527 O O . HOH K 8 . ? -49.151 -22.979 34.257 1.00 48.73 ? 321 HOH A O 1 HETATM 6528 O O . HOH K 8 . ? -5.029 -0.135 21.923 1.00 57.71 ? 322 HOH A O 1 HETATM 6529 O O . HOH K 8 . ? -46.764 -12.721 7.311 1.00 41.26 ? 323 HOH A O 1 HETATM 6530 O O . HOH K 8 . ? -36.526 -20.033 3.450 1.00 36.88 ? 324 HOH A O 1 HETATM 6531 O O . HOH K 8 . ? -45.080 -28.983 30.241 1.00 40.77 ? 325 HOH A O 1 HETATM 6532 O O . HOH K 8 . ? -42.675 -31.072 31.074 1.00 46.62 ? 326 HOH A O 1 HETATM 6533 O O . HOH K 8 . ? -54.662 -27.090 0.709 1.00 47.37 ? 327 HOH A O 1 HETATM 6534 O O . HOH K 8 . ? -31.465 1.284 24.510 1.00 43.23 ? 328 HOH A O 1 HETATM 6535 O O . HOH K 8 . ? -41.127 -43.227 9.752 1.00 40.04 ? 329 HOH A O 1 HETATM 6536 O O . HOH K 8 . ? -37.662 -15.816 10.616 1.00 46.30 ? 330 HOH A O 1 HETATM 6537 O O . HOH K 8 . ? -41.714 -17.308 -0.268 1.00 41.15 ? 331 HOH A O 1 HETATM 6538 O O . HOH K 8 . ? -41.332 -32.137 20.561 1.00 35.62 ? 332 HOH A O 1 HETATM 6539 O O . HOH K 8 . ? -25.940 -9.139 23.113 1.00 35.26 ? 333 HOH A O 1 HETATM 6540 O O . HOH K 8 . ? -30.045 -13.635 25.866 1.00 42.43 ? 334 HOH A O 1 HETATM 6541 O O . HOH K 8 . ? -43.729 -11.734 37.251 1.00 37.17 ? 335 HOH A O 1 HETATM 6542 O O . HOH K 8 . ? -44.458 -31.643 -4.114 1.00 34.41 ? 336 HOH A O 1 HETATM 6543 O O . HOH K 8 . ? -16.747 -2.779 27.472 1.00 41.45 ? 337 HOH A O 1 HETATM 6544 O O . HOH K 8 . ? -34.154 -20.728 4.042 1.00 41.41 ? 338 HOH A O 1 HETATM 6545 O O . HOH K 8 . ? -28.405 -9.226 23.048 1.00 57.45 ? 339 HOH A O 1 HETATM 6546 O O . HOH K 8 . ? -31.673 -22.418 6.625 1.00 45.62 ? 340 HOH A O 1 HETATM 6547 O O . HOH K 8 . ? -36.857 -2.592 33.236 1.00 62.78 ? 341 HOH A O 1 HETATM 6548 O O . HOH K 8 . ? -35.065 -28.091 19.553 1.00 37.74 ? 342 HOH A O 1 HETATM 6549 O O . HOH K 8 . ? -44.796 -34.923 23.712 1.00 31.60 ? 343 HOH A O 1 HETATM 6550 O O . HOH K 8 . ? -26.250 -9.010 14.593 1.00 44.99 ? 344 HOH A O 1 HETATM 6551 O O . HOH K 8 . ? -46.466 -37.681 20.575 1.00 31.89 ? 345 HOH A O 1 HETATM 6552 O O . HOH K 8 . ? -37.218 -24.869 34.761 1.00 50.52 ? 346 HOH A O 1 HETATM 6553 O O . HOH K 8 . ? -48.295 -26.060 -1.628 1.00 45.09 ? 347 HOH A O 1 HETATM 6554 O O . HOH K 8 . ? -29.842 -39.678 22.053 1.00 51.83 ? 348 HOH A O 1 HETATM 6555 O O . HOH K 8 . ? -59.597 -27.655 5.238 1.00 39.54 ? 349 HOH A O 1 HETATM 6556 O O . HOH K 8 . ? -51.712 -32.323 23.569 1.00 35.03 ? 350 HOH A O 1 HETATM 6557 O O . HOH K 8 . ? -34.427 -28.412 17.059 1.00 37.78 ? 351 HOH A O 1 HETATM 6558 O O . HOH K 8 . ? -23.322 -11.395 13.556 1.00 39.46 ? 352 HOH A O 1 HETATM 6559 O O . HOH K 8 . ? -58.854 -19.211 22.294 1.00 50.82 ? 353 HOH A O 1 HETATM 6560 O O . HOH K 8 . ? -44.049 -32.753 24.540 1.00 33.64 ? 354 HOH A O 1 HETATM 6561 O O . HOH K 8 . ? -44.148 -31.442 27.347 1.00 39.14 ? 355 HOH A O 1 HETATM 6562 O O . HOH K 8 . ? -35.753 -6.912 14.503 1.00 62.09 ? 356 HOH A O 1 HETATM 6563 O O . HOH K 8 . ? -34.845 -4.492 22.395 1.00 50.12 ? 357 HOH A O 1 HETATM 6564 O O . HOH K 8 . ? -40.764 -37.980 16.477 1.00 41.83 ? 358 HOH A O 1 HETATM 6565 O O . HOH K 8 . ? -21.525 -12.983 12.319 1.00 41.17 ? 359 HOH A O 1 HETATM 6566 O O . HOH K 8 . ? -50.814 -7.118 15.257 1.00 41.79 ? 360 HOH A O 1 HETATM 6567 O O . HOH K 8 . ? -41.212 -24.991 23.270 1.00 34.48 ? 361 HOH A O 1 HETATM 6568 O O . HOH K 8 . ? -44.320 -41.177 15.231 1.00 35.47 ? 362 HOH A O 1 HETATM 6569 O O . HOH K 8 . ? -20.350 -2.416 29.043 1.00 39.79 ? 363 HOH A O 1 HETATM 6570 O O . HOH K 8 . ? -23.890 -7.699 11.962 1.00 45.71 ? 364 HOH A O 1 HETATM 6571 O O . HOH K 8 . ? -62.335 -26.299 20.225 1.00 30.45 ? 365 HOH A O 1 HETATM 6572 O O . HOH K 8 . ? -40.135 -28.954 34.955 1.00 49.12 ? 366 HOH A O 1 HETATM 6573 O O . HOH K 8 . ? -24.527 4.705 12.916 1.00 61.01 ? 367 HOH A O 1 HETATM 6574 O O . HOH K 8 . ? -16.689 -7.734 13.938 1.00 45.45 ? 368 HOH A O 1 HETATM 6575 O O . HOH K 8 . ? -47.884 -16.130 0.911 1.00 49.22 ? 369 HOH A O 1 HETATM 6576 O O . HOH K 8 . ? -40.982 -22.192 -0.076 1.00 43.65 ? 370 HOH A O 1 HETATM 6577 O O . HOH K 8 . ? -56.301 -25.570 2.574 1.00 47.19 ? 371 HOH A O 1 HETATM 6578 O O . HOH L 8 . ? -24.664 -31.945 13.490 1.00 38.62 ? 100 HOH B O 1 HETATM 6579 O O . HOH L 8 . ? -12.228 -15.247 15.541 1.00 38.95 ? 101 HOH B O 1 HETATM 6580 O O . HOH L 8 . ? -30.615 -31.671 14.649 1.00 43.21 ? 102 HOH B O 1 HETATM 6581 O O . HOH L 8 . ? -0.863 -28.552 25.652 1.00 50.47 ? 103 HOH B O 1 HETATM 6582 O O . HOH L 8 . ? -31.542 -12.205 12.198 1.00 48.06 ? 104 HOH B O 1 HETATM 6583 O O . HOH L 8 . ? -37.815 -16.250 5.509 1.00 51.93 ? 105 HOH B O 1 HETATM 6584 O O . HOH L 8 . ? -19.829 -17.019 13.933 1.00 29.92 ? 106 HOH B O 1 HETATM 6585 O O . HOH L 8 . ? -32.726 -29.337 8.091 1.00 58.73 ? 107 HOH B O 1 HETATM 6586 O O . HOH L 8 . ? -27.081 -17.799 12.139 1.00 27.16 ? 108 HOH B O 1 HETATM 6587 O O . HOH L 8 . ? -7.516 -18.886 31.892 1.00 36.99 ? 109 HOH B O 1 HETATM 6588 O O . HOH L 8 . ? -15.281 -27.160 26.656 1.00 40.36 ? 110 HOH B O 1 HETATM 6589 O O . HOH L 8 . ? -22.669 -17.653 26.432 1.00 41.53 ? 112 HOH B O 1 HETATM 6590 O O . HOH L 8 . ? -7.443 -9.538 30.065 1.00 38.71 ? 121 HOH B O 1 HETATM 6591 O O . HOH L 8 . ? -19.071 -11.976 26.788 1.00 30.92 ? 122 HOH B O 1 HETATM 6592 O O . HOH L 8 . ? -0.523 -7.774 27.973 1.00 64.07 ? 145 HOH B O 1 HETATM 6593 O O . HOH L 8 . ? -4.812 -18.475 21.486 1.00 39.88 ? 160 HOH B O 1 HETATM 6594 O O . HOH L 8 . ? 1.802 -19.235 23.164 1.00 66.90 ? 162 HOH B O 1 HETATM 6595 O O . HOH L 8 . ? -35.210 -14.745 14.111 1.00 32.21 ? 165 HOH B O 1 HETATM 6596 O O . HOH L 8 . ? -17.500 -32.216 12.430 1.00 51.63 ? 178 HOH B O 1 HETATM 6597 O O . HOH L 8 . ? -21.886 -28.254 23.017 1.00 44.39 ? 202 HOH B O 1 HETATM 6598 O O . HOH L 8 . ? -9.468 -8.208 35.290 1.00 53.93 ? 204 HOH B O 1 HETATM 6599 O O . HOH L 8 . ? -9.635 -14.777 17.186 1.00 41.11 ? 213 HOH B O 1 HETATM 6600 O O . HOH L 8 . ? -33.252 -22.783 22.277 1.00 40.55 ? 265 HOH B O 1 HETATM 6601 O O . HOH L 8 . ? -27.662 -24.079 25.454 1.00 46.10 ? 272 HOH B O 1 HETATM 6602 O O . HOH L 8 . ? -15.134 -19.813 10.692 1.00 51.07 ? 310 HOH B O 1 HETATM 6603 O O . HOH L 8 . ? -10.198 -7.829 31.783 1.00 48.63 ? 311 HOH B O 1 HETATM 6604 O O . HOH L 8 . ? -7.592 -20.347 14.158 1.00 41.04 ? 315 HOH B O 1 HETATM 6605 O O . HOH L 8 . ? -29.700 -24.181 23.740 1.00 50.59 ? 318 HOH B O 1 HETATM 6606 O O . HOH M 8 . ? -77.247 -40.190 13.953 1.00 41.59 ? 102 HOH C O 1 HETATM 6607 O O . HOH M 8 . ? -60.696 -35.999 17.432 1.00 22.28 ? 211 HOH C O 1 HETATM 6608 O O . HOH M 8 . ? -67.117 -47.632 23.908 1.00 26.93 ? 212 HOH C O 1 HETATM 6609 O O . HOH M 8 . ? -89.579 -48.110 40.273 1.00 44.22 ? 213 HOH C O 1 HETATM 6610 O O . HOH M 8 . ? -86.312 -38.459 20.671 1.00 36.47 ? 214 HOH C O 1 HETATM 6611 O O . HOH M 8 . ? -73.171 -42.071 31.152 1.00 25.32 ? 215 HOH C O 1 HETATM 6612 O O . HOH M 8 . ? -84.241 -34.140 27.418 1.00 29.36 ? 216 HOH C O 1 HETATM 6613 O O . HOH M 8 . ? -66.145 -37.566 16.484 1.00 29.61 ? 217 HOH C O 1 HETATM 6614 O O . HOH M 8 . ? -57.118 -47.863 30.076 1.00 53.81 ? 218 HOH C O 1 HETATM 6615 O O . HOH M 8 . ? -75.114 -36.537 16.254 1.00 46.28 ? 219 HOH C O 1 HETATM 6616 O O . HOH M 8 . ? -72.213 -30.356 31.517 1.00 27.90 ? 220 HOH C O 1 HETATM 6617 O O . HOH M 8 . ? -79.390 -52.101 28.256 1.00 43.73 ? 221 HOH C O 1 HETATM 6618 O O . HOH M 8 . ? -78.021 -32.667 18.788 1.00 39.74 ? 222 HOH C O 1 HETATM 6619 O O . HOH M 8 . ? -62.915 -28.472 13.609 1.00 27.36 ? 223 HOH C O 1 HETATM 6620 O O . HOH M 8 . ? -66.797 -21.762 23.259 1.00 44.72 ? 224 HOH C O 1 HETATM 6621 O O . HOH M 8 . ? -65.321 -29.193 17.374 1.00 37.90 ? 225 HOH C O 1 HETATM 6622 O O . HOH M 8 . ? -82.056 -37.723 14.771 1.00 49.04 ? 226 HOH C O 1 HETATM 6623 O O . HOH M 8 . ? -62.806 -27.409 15.925 1.00 22.51 ? 227 HOH C O 1 HETATM 6624 O O . HOH M 8 . ? -53.925 -39.364 15.683 1.00 46.82 ? 228 HOH C O 1 HETATM 6625 O O . HOH M 8 . ? -58.431 -43.995 19.712 1.00 30.40 ? 229 HOH C O 1 HETATM 6626 O O . HOH M 8 . ? -68.993 -47.398 32.493 1.00 33.32 ? 230 HOH C O 1 HETATM 6627 O O . HOH M 8 . ? -55.733 -43.026 31.887 1.00 53.01 ? 231 HOH C O 1 HETATM 6628 O O . HOH M 8 . ? -93.409 -44.478 36.963 1.00 51.18 ? 232 HOH C O 1 HETATM 6629 O O . HOH M 8 . ? -68.812 -21.268 25.111 1.00 43.81 ? 233 HOH C O 1 HETATM 6630 O O . HOH M 8 . ? -66.944 -45.649 32.608 1.00 36.21 ? 234 HOH C O 1 HETATM 6631 O O . HOH M 8 . ? -51.555 -34.823 21.965 1.00 30.80 ? 235 HOH C O 1 HETATM 6632 O O . HOH M 8 . ? -72.949 -55.226 18.425 1.00 48.08 ? 236 HOH C O 1 HETATM 6633 O O . HOH M 8 . ? -64.977 -45.689 31.051 1.00 35.49 ? 237 HOH C O 1 HETATM 6634 O O . HOH M 8 . ? -77.447 -49.202 18.063 1.00 33.62 ? 238 HOH C O 1 HETATM 6635 O O . HOH M 8 . ? -66.296 -22.106 34.450 1.00 50.26 ? 239 HOH C O 1 HETATM 6636 O O . HOH M 8 . ? -78.962 -47.228 18.648 1.00 53.06 ? 240 HOH C O 1 HETATM 6637 O O . HOH M 8 . ? -74.376 -54.526 23.059 1.00 49.13 ? 241 HOH C O 1 HETATM 6638 O O . HOH M 8 . ? -51.007 -45.127 19.459 1.00 43.20 ? 242 HOH C O 1 HETATM 6639 O O . HOH M 8 . ? -55.599 -30.410 12.050 1.00 37.07 ? 243 HOH C O 1 HETATM 6640 O O . HOH M 8 . ? -64.804 -27.044 19.234 1.00 27.61 ? 244 HOH C O 1 HETATM 6641 O O . HOH M 8 . ? -68.706 -39.967 35.524 1.00 33.56 ? 245 HOH C O 1 HETATM 6642 O O . HOH M 8 . ? -81.381 -27.073 21.093 1.00 53.26 ? 246 HOH C O 1 HETATM 6643 O O . HOH M 8 . ? -58.083 -41.546 15.387 1.00 26.91 ? 247 HOH C O 1 HETATM 6644 O O . HOH M 8 . ? -60.769 -45.269 23.661 1.00 45.38 ? 248 HOH C O 1 HETATM 6645 O O . HOH M 8 . ? -64.193 -25.030 22.900 1.00 38.34 ? 249 HOH C O 1 HETATM 6646 O O . HOH M 8 . ? -92.212 -40.187 25.646 1.00 45.64 ? 253 HOH C O 1 HETATM 6647 O O . HOH M 8 . ? -74.038 -41.659 38.848 1.00 37.29 ? 254 HOH C O 1 HETATM 6648 O O . HOH M 8 . ? -55.338 -36.834 26.933 1.00 39.75 ? 257 HOH C O 1 HETATM 6649 O O . HOH M 8 . ? -71.414 -37.526 37.336 1.00 44.02 ? 266 HOH C O 1 HETATM 6650 O O . HOH M 8 . ? -74.003 -25.999 29.770 1.00 54.78 ? 279 HOH C O 1 HETATM 6651 O O . HOH M 8 . ? -90.354 -33.933 32.129 1.00 53.84 ? 280 HOH C O 1 HETATM 6652 O O . HOH M 8 . ? -90.493 -47.807 22.601 1.00 32.06 ? 286 HOH C O 1 HETATM 6653 O O . HOH M 8 . ? -78.727 -29.243 19.222 1.00 37.45 ? 287 HOH C O 1 HETATM 6654 O O . HOH M 8 . ? -78.780 -52.082 36.524 1.00 37.42 ? 307 HOH C O 1 HETATM 6655 O O . HOH M 8 . ? -72.192 -50.750 32.009 1.00 38.01 ? 319 HOH C O 1 HETATM 6656 O O . HOH N 8 . ? -62.487 -52.626 23.916 1.00 31.87 ? 241 HOH D O 1 HETATM 6657 O O . HOH N 8 . ? -59.400 -42.894 17.386 1.00 21.19 ? 242 HOH D O 1 HETATM 6658 O O . HOH N 8 . ? -50.764 -54.427 21.174 1.00 44.01 ? 243 HOH D O 1 HETATM 6659 O O . HOH N 8 . ? -72.957 -70.403 16.222 1.00 35.52 ? 244 HOH D O 1 HETATM 6660 O O . HOH N 8 . ? -70.785 -40.584 13.936 1.00 42.60 ? 245 HOH D O 1 HETATM 6661 O O . HOH N 8 . ? -55.915 -51.174 26.323 1.00 52.65 ? 246 HOH D O 1 HETATM 6662 O O . HOH N 8 . ? -67.877 -62.281 19.948 1.00 45.98 ? 247 HOH D O 1 HETATM 6663 O O . HOH N 8 . ? -76.025 -68.920 5.224 1.00 31.18 ? 248 HOH D O 1 HETATM 6664 O O . HOH N 8 . ? -73.680 -81.872 12.185 1.00 45.63 ? 249 HOH D O 1 HETATM 6665 O O . HOH N 8 . ? -54.226 -60.126 19.866 1.00 37.38 ? 250 HOH D O 1 HETATM 6666 O O . HOH N 8 . ? -56.010 -66.540 23.521 1.00 52.22 ? 251 HOH D O 1 HETATM 6667 O O . HOH N 8 . ? -49.713 -45.156 17.704 1.00 50.78 ? 252 HOH D O 1 HETATM 6668 O O . HOH N 8 . ? -57.144 -36.321 5.587 1.00 41.76 ? 253 HOH D O 1 HETATM 6669 O O . HOH N 8 . ? -57.955 -46.649 21.542 1.00 33.86 ? 254 HOH D O 1 HETATM 6670 O O . HOH N 8 . ? -54.041 -56.470 20.421 1.00 31.39 ? 255 HOH D O 1 HETATM 6671 O O . HOH N 8 . ? -56.124 -60.191 22.105 1.00 40.79 ? 256 HOH D O 1 HETATM 6672 O O . HOH N 8 . ? -72.932 -58.489 13.647 1.00 43.70 ? 257 HOH D O 1 HETATM 6673 O O . HOH N 8 . ? -68.701 -68.612 10.921 1.00 27.80 ? 258 HOH D O 1 HETATM 6674 O O . HOH N 8 . ? -71.187 -43.094 12.683 1.00 37.27 ? 259 HOH D O 1 HETATM 6675 O O . HOH N 8 . ? -61.028 -71.018 11.517 1.00 43.96 ? 260 HOH D O 1 HETATM 6676 O O . HOH N 8 . ? -72.897 -63.744 20.250 1.00 59.12 ? 261 HOH D O 1 HETATM 6677 O O . HOH N 8 . ? -78.997 -80.110 15.005 1.00 48.28 ? 262 HOH D O 1 HETATM 6678 O O . HOH N 8 . ? -62.632 -81.784 13.280 1.00 62.10 ? 263 HOH D O 1 HETATM 6679 O O . HOH N 8 . ? -78.872 -78.510 9.286 1.00 34.84 ? 264 HOH D O 1 HETATM 6680 O O . HOH N 8 . ? -48.842 -45.785 14.325 1.00 36.80 ? 265 HOH D O 1 HETATM 6681 O O . HOH N 8 . ? -72.380 -48.691 13.709 1.00 32.75 ? 266 HOH D O 1 HETATM 6682 O O . HOH N 8 . ? -50.481 -51.214 10.588 1.00 36.89 ? 267 HOH D O 1 HETATM 6683 O O . HOH N 8 . ? -66.828 -39.605 15.265 1.00 38.77 ? 268 HOH D O 1 HETATM 6684 O O . HOH N 8 . ? -55.674 -42.535 14.202 1.00 36.18 ? 269 HOH D O 1 HETATM 6685 O O . HOH N 8 . ? -77.803 -81.241 18.796 1.00 52.20 ? 270 HOH D O 1 HETATM 6686 O O . HOH N 8 . ? -55.852 -43.683 20.190 1.00 32.83 ? 271 HOH D O 1 HETATM 6687 O O . HOH N 8 . ? -70.873 -69.860 22.926 1.00 49.83 ? 272 HOH D O 1 HETATM 6688 O O . HOH N 8 . ? -66.525 -77.058 19.644 1.00 47.52 ? 273 HOH D O 1 HETATM 6689 O O . HOH N 8 . ? -69.056 -66.023 8.276 1.00 47.64 ? 274 HOH D O 1 HETATM 6690 O O . HOH N 8 . ? -78.488 -72.192 4.074 1.00 31.16 ? 275 HOH D O 1 HETATM 6691 O O . HOH N 8 . ? -60.803 -39.260 9.495 1.00 38.56 ? 276 HOH D O 1 HETATM 6692 O O . HOH N 8 . ? -58.698 -35.747 3.552 1.00 52.62 ? 277 HOH D O 1 HETATM 6693 O O . HOH N 8 . ? -55.285 -40.028 13.605 1.00 38.63 ? 278 HOH D O 1 HETATM 6694 O O . HOH N 8 . ? -52.866 -63.465 14.923 1.00 53.40 ? 279 HOH D O 1 HETATM 6695 O O . HOH N 8 . ? -62.077 -38.217 11.120 1.00 29.52 ? 280 HOH D O 1 HETATM 6696 O O . HOH N 8 . ? -51.469 -51.989 3.068 1.00 46.97 ? 281 HOH D O 1 HETATM 6697 O O . HOH N 8 . ? -68.926 -64.520 21.320 1.00 52.22 ? 282 HOH D O 1 HETATM 6698 O O . HOH N 8 . ? -75.511 -53.340 13.263 1.00 49.60 ? 283 HOH D O 1 HETATM 6699 O O . HOH N 8 . ? -74.096 -64.148 17.660 1.00 58.98 ? 284 HOH D O 1 HETATM 6700 O O . HOH N 8 . ? -77.747 -81.510 11.981 1.00 52.46 ? 285 HOH D O 1 HETATM 6701 O O . HOH N 8 . ? -49.355 -55.322 14.808 1.00 44.82 ? 286 HOH D O 1 HETATM 6702 O O . HOH N 8 . ? -70.083 -55.205 21.662 1.00 40.46 ? 287 HOH D O 1 HETATM 6703 O O . HOH N 8 . ? -78.882 -64.175 7.033 1.00 37.32 ? 288 HOH D O 1 HETATM 6704 O O . HOH N 8 . ? -68.592 -70.362 23.884 1.00 57.98 ? 289 HOH D O 1 HETATM 6705 O O . HOH N 8 . ? -72.047 -40.630 12.285 1.00 42.85 ? 290 HOH D O 1 HETATM 6706 O O . HOH N 8 . ? -61.032 -37.261 15.360 1.00 32.95 ? 291 HOH D O 1 HETATM 6707 O O . HOH N 8 . ? -67.815 -49.865 24.709 1.00 37.70 ? 292 HOH D O 1 HETATM 6708 O O . HOH N 8 . ? -66.261 -33.871 10.137 1.00 54.82 ? 293 HOH D O 1 HETATM 6709 O O . HOH N 8 . ? -75.970 -60.077 9.401 1.00 59.18 ? 294 HOH D O 1 HETATM 6710 O O . HOH N 8 . ? -50.166 -54.017 10.193 1.00 40.23 ? 295 HOH D O 1 HETATM 6711 O O . HOH N 8 . ? -61.913 -64.877 6.925 1.00 45.56 ? 296 HOH D O 1 HETATM 6712 O O . HOH N 8 . ? -74.853 -79.181 8.462 1.00 39.60 ? 313 HOH D O 1 HETATM 6713 O O . HOH N 8 . ? -55.986 -49.019 24.604 1.00 50.39 ? 314 HOH D O 1 HETATM 6714 O O . HOH N 8 . ? -87.452 -60.320 12.341 1.00 31.15 ? 331 HOH D O 1 HETATM 6715 O O . HOH N 8 . ? -92.597 -54.645 10.990 1.00 35.05 ? 332 HOH D O 1 HETATM 6716 O O . HOH N 8 . ? -83.667 -68.422 25.924 1.00 48.47 ? 333 HOH D O 1 HETATM 6717 O O . HOH N 8 . ? -101.249 -57.876 12.861 1.00 50.12 ? 334 HOH D O 1 HETATM 6718 O O . HOH N 8 . ? -60.954 -38.571 13.415 1.00 33.20 ? 335 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 ? 0.8287 0.3560 0.6521 -0.0901 -0.1057 0.0532 7 ASN A N 2 C CA . ASN A 7 ? 0.8008 0.3730 0.6436 -0.0766 -0.0956 0.0544 7 ASN A CA 3 C C . ASN A 7 ? 0.7433 0.3690 0.6029 -0.0826 -0.0769 0.0480 7 ASN A C 4 O O . ASN A 7 ? 0.7546 0.3911 0.6075 -0.1058 -0.0711 0.0524 7 ASN A O 5 C CB . ASN A 7 ? 0.8115 0.3779 0.6387 -0.0883 -0.1004 0.0733 7 ASN A CB 6 C CG . ASN A 7 ? 0.9133 0.4201 0.7188 -0.0851 -0.1233 0.0834 7 ASN A CG 7 O OD1 . ASN A 7 ? 0.9605 0.4344 0.7705 -0.0665 -0.1357 0.0738 7 ASN A OD1 8 N ND2 . ASN A 7 ? 0.9621 0.4532 0.7426 -0.1036 -0.1298 0.1024 7 ASN A ND2 9 N N . TYR A 8 ? 0.6864 0.3449 0.5683 -0.0622 -0.0683 0.0375 8 TYR A N 10 C CA . TYR A 8 ? 0.6286 0.3346 0.5257 -0.0656 -0.0531 0.0327 8 TYR A CA 11 C C . TYR A 8 ? 0.5944 0.3327 0.5055 -0.0549 -0.0457 0.0358 8 TYR A C 12 O O . TYR A 8 ? 0.6067 0.3376 0.5233 -0.0372 -0.0507 0.0343 8 TYR A O 13 C CB . TYR A 8 ? 0.6227 0.3361 0.5287 -0.0548 -0.0491 0.0163 8 TYR A CB 14 C CG . TYR A 8 ? 0.6614 0.3526 0.5545 -0.0692 -0.0538 0.0117 8 TYR A CG 15 C CD1 . TYR A 8 ? 0.7025 0.3488 0.5836 -0.0638 -0.0648 0.0046 8 TYR A CD1 16 C CD2 . TYR A 8 ? 0.6601 0.3747 0.5545 -0.0880 -0.0485 0.0135 8 TYR A CD2 17 C CE1 . TYR A 8 ? 0.7642 0.3872 0.6313 -0.0786 -0.0698 -0.0003 8 TYR A CE1 18 C CE2 . TYR A 8 ? 0.7026 0.3977 0.5853 -0.1035 -0.0540 0.0092 8 TYR A CE2 19 C CZ . TYR A 8 ? 0.7584 0.4067 0.6258 -0.0995 -0.0644 0.0024 8 TYR A CZ 20 O OH . TYR A 8 ? 0.8217 0.4489 0.6759 -0.1159 -0.0703 -0.0025 8 TYR A OH 21 N N . THR A 9 ? 0.5370 0.3112 0.4556 -0.0649 -0.0347 0.0390 9 THR A N 22 C CA . THR A 9 ? 0.4828 0.2878 0.4149 -0.0551 -0.0271 0.0397 9 THR A CA 23 C C . THR A 9 ? 0.4370 0.2726 0.3852 -0.0479 -0.0179 0.0299 9 THR A C 24 O O . THR A 9 ? 0.4254 0.2743 0.3764 -0.0577 -0.0143 0.0275 9 THR A O 25 C CB . THR A 9 ? 0.4844 0.3038 0.4113 -0.0706 -0.0222 0.0503 9 THR A CB 26 O OG1 . THR A 9 ? 0.5277 0.3133 0.4329 -0.0812 -0.0321 0.0610 9 THR A OG1 27 C CG2 . THR A 9 ? 0.4444 0.2887 0.3819 -0.0604 -0.0162 0.0508 9 THR A CG2 28 N N . PHE A 10 ? 0.4110 0.2570 0.3693 -0.0310 -0.0153 0.0245 10 PHE A N 29 C CA . PHE A 10 ? 0.3729 0.2449 0.3423 -0.0249 -0.0073 0.0173 10 PHE A CA 30 C C . PHE A 10 ? 0.3443 0.2429 0.3229 -0.0246 -0.0006 0.0224 10 PHE A C 31 O O . PHE A 10 ? 0.3491 0.2471 0.3292 -0.0187 -0.0018 0.0259 10 PHE A O 32 C CB . PHE A 10 ? 0.3764 0.2420 0.3493 -0.0093 -0.0076 0.0068 10 PHE A CB 33 C CG . PHE A 10 ? 0.3409 0.2309 0.3209 -0.0043 0.0009 -0.0001 10 PHE A CG 34 C CD1 . PHE A 10 ? 0.3638 0.2567 0.3377 -0.0099 0.0028 -0.0056 10 PHE A CD1 35 C CD2 . PHE A 10 ? 0.3240 0.2319 0.3142 0.0044 0.0060 -0.0007 10 PHE A CD2 36 C CE1 . PHE A 10 ? 0.3083 0.2195 0.2832 -0.0074 0.0094 -0.0104 10 PHE A CE1 37 C CE2 . PHE A 10 ? 0.3389 0.2661 0.3318 0.0062 0.0138 -0.0061 10 PHE A CE2 38 C CZ . PHE A 10 ? 0.3378 0.2651 0.3213 -0.0001 0.0153 -0.0103 10 PHE A CZ 39 N N . ARG A 11 ? 0.3175 0.2380 0.3027 -0.0305 0.0047 0.0223 11 ARG A N 40 C CA . ARG A 11 ? 0.3083 0.2518 0.3028 -0.0303 0.0108 0.0254 11 ARG A CA 41 C C . ARG A 11 ? 0.2914 0.2529 0.2945 -0.0250 0.0144 0.0210 11 ARG A C 42 O O . ARG A 11 ? 0.2900 0.2558 0.2946 -0.0292 0.0126 0.0187 11 ARG A O 43 C CB . ARG A 11 ? 0.3051 0.2585 0.3014 -0.0440 0.0132 0.0296 11 ARG A CB 44 C CG . ARG A 11 ? 0.3453 0.2843 0.3294 -0.0538 0.0112 0.0363 11 ARG A CG 45 C CD . ARG A 11 ? 0.4015 0.3555 0.3885 -0.0706 0.0163 0.0376 11 ARG A CD 46 N NE . ARG A 11 ? 0.4331 0.3717 0.4025 -0.0838 0.0153 0.0454 11 ARG A NE 47 C CZ . ARG A 11 ? 0.5093 0.4260 0.4640 -0.0976 0.0100 0.0501 11 ARG A CZ 48 N NH1 . ARG A 11 ? 0.5297 0.4389 0.4870 -0.1001 0.0057 0.0464 11 ARG A NH1 49 N NH2 . ARG A 11 ? 0.5647 0.4648 0.4992 -0.1109 0.0083 0.0590 11 ARG A NH2 50 N N . CYS A 12 ? 0.2774 0.2474 0.2846 -0.0171 0.0180 0.0205 12 CYS A N 51 C CA . CYS A 12 ? 0.2808 0.2649 0.2936 -0.0141 0.0208 0.0189 12 CYS A CA 52 C C . CYS A 12 ? 0.2673 0.2649 0.2888 -0.0161 0.0238 0.0216 12 CYS A C 53 O O . CYS A 12 ? 0.2714 0.2702 0.2927 -0.0152 0.0263 0.0235 12 CYS A O 54 C CB . CYS A 12 ? 0.2703 0.2551 0.2816 -0.0066 0.0238 0.0161 12 CYS A CB 55 S SG . CYS A 12 ? 0.3741 0.3457 0.3778 -0.0024 0.0228 0.0086 12 CYS A SG 56 N N . LEU A 13 ? 0.2600 0.2682 0.2899 -0.0186 0.0227 0.0208 13 LEU A N 57 C CA . LEU A 13 ? 0.2474 0.2701 0.2889 -0.0197 0.0264 0.0202 13 LEU A CA 58 C C . LEU A 13 ? 0.2513 0.2790 0.2992 -0.0130 0.0245 0.0189 13 LEU A C 59 O O . LEU A 13 ? 0.2782 0.3056 0.3283 -0.0118 0.0182 0.0187 13 LEU A O 60 C CB . LEU A 13 ? 0.2348 0.2685 0.2862 -0.0275 0.0260 0.0185 13 LEU A CB 61 C CG . LEU A 13 ? 0.2443 0.2687 0.2860 -0.0377 0.0261 0.0209 13 LEU A CG 62 C CD1 . LEU A 13 ? 0.2293 0.2706 0.2838 -0.0477 0.0274 0.0182 13 LEU A CD1 63 C CD2 . LEU A 13 ? 0.2442 0.2596 0.2740 -0.0405 0.0299 0.0248 13 LEU A CD2 64 N N . GLN A 14 ? 0.2397 0.2693 0.2886 -0.0096 0.0285 0.0185 14 GLN A N 65 C CA . GLN A 14 ? 0.2363 0.2656 0.2891 -0.0043 0.0262 0.0178 14 GLN A CA 66 C C . GLN A 14 ? 0.2387 0.2803 0.3072 -0.0023 0.0289 0.0127 14 GLN A C 67 O O . GLN A 14 ? 0.2373 0.2854 0.3061 -0.0058 0.0361 0.0103 14 GLN A O 68 C CB . GLN A 14 ? 0.2191 0.2411 0.2616 -0.0031 0.0290 0.0196 14 GLN A CB 69 C CG . GLN A 14 ? 0.2691 0.2863 0.3122 -0.0001 0.0265 0.0197 14 GLN A CG 70 C CD . GLN A 14 ? 0.2939 0.3068 0.3280 -0.0019 0.0302 0.0208 14 GLN A CD 71 O OE1 . GLN A 14 ? 0.3204 0.3346 0.3488 -0.0037 0.0331 0.0214 14 GLN A OE1 72 N NE2 . GLN A 14 ? 0.2762 0.2848 0.3111 -0.0012 0.0298 0.0200 14 GLN A NE2 73 N N . MET A 15 ? 0.2275 0.2716 0.3082 0.0031 0.0226 0.0103 15 MET A N 74 C CA . MET A 15 ? 0.2417 0.2979 0.3413 0.0079 0.0248 0.0024 15 MET A CA 75 C C . MET A 15 ? 0.2384 0.2803 0.3369 0.0154 0.0184 0.0030 15 MET A C 76 O O . MET A 15 ? 0.2425 0.2735 0.3383 0.0185 0.0074 0.0077 15 MET A O 77 C CB . MET A 15 ? 0.2465 0.3192 0.3687 0.0103 0.0196 -0.0024 15 MET A CB 78 C CG . MET A 15 ? 0.3269 0.4116 0.4498 0.0008 0.0241 -0.0024 15 MET A CG 79 S SD . MET A 15 ? 0.4053 0.5010 0.5433 -0.0003 0.0131 -0.0026 15 MET A SD 80 C CE . MET A 15 ? 0.3492 0.4217 0.4571 -0.0072 0.0095 0.0073 15 MET A CE 81 N N . SER A 16 ? 0.2364 0.2761 0.3344 0.0169 0.0242 -0.0015 16 SER A N 82 C CA . SER A 16 ? 0.2459 0.2679 0.3417 0.0229 0.0174 -0.0012 16 SER A CA 83 C C . SER A 16 ? 0.2530 0.2815 0.3679 0.0307 0.0196 -0.0134 16 SER A C 84 O O . SER A 16 ? 0.2463 0.2876 0.3637 0.0274 0.0311 -0.0210 16 SER A O 85 C CB . SER A 16 ? 0.2479 0.2568 0.3226 0.0165 0.0212 0.0039 16 SER A CB 86 O OG . SER A 16 ? 0.2709 0.2769 0.3308 0.0103 0.0209 0.0121 16 SER A OG 87 N N . SER A 17 ? 0.2656 0.2847 0.3937 0.0410 0.0079 -0.0158 17 SER A N 88 C CA . SER A 17 ? 0.2842 0.3062 0.4337 0.0518 0.0078 -0.0295 17 SER A CA 89 C C . SER A 17 ? 0.2973 0.2875 0.4337 0.0550 -0.0004 -0.0265 17 SER A C 90 O O . SER A 17 ? 0.3232 0.2902 0.4440 0.0534 -0.0131 -0.0141 17 SER A O 91 C CB . SER A 17 ? 0.2861 0.3187 0.4654 0.0643 -0.0037 -0.0352 17 SER A CB 92 O OG . SER A 17 ? 0.3119 0.3755 0.5061 0.0601 0.0036 -0.0392 17 SER A OG 93 N N . PHE A 18 ? 0.2803 0.2682 0.4213 0.0581 0.0062 -0.0383 18 PHE A N 94 C CA . PHE A 18 ? 0.3005 0.2560 0.4293 0.0601 -0.0014 -0.0374 18 PHE A CA 95 C C . PHE A 18 ? 0.3110 0.2685 0.4667 0.0753 -0.0027 -0.0558 18 PHE A C 96 O O . PHE A 18 ? 0.2890 0.2661 0.4532 0.0746 0.0121 -0.0704 18 PHE A O 97 C CB . PHE A 18 ? 0.2925 0.2438 0.3981 0.0470 0.0099 -0.0359 18 PHE A CB 98 C CG . PHE A 18 ? 0.2779 0.2298 0.3616 0.0340 0.0119 -0.0210 18 PHE A CG 99 C CD1 . PHE A 18 ? 0.2765 0.2536 0.3605 0.0284 0.0214 -0.0191 18 PHE A CD1 100 C CD2 . PHE A 18 ? 0.2945 0.2214 0.3567 0.0263 0.0047 -0.0097 18 PHE A CD2 101 C CE1 . PHE A 18 ? 0.2804 0.2579 0.3472 0.0186 0.0227 -0.0074 18 PHE A CE1 102 C CE2 . PHE A 18 ? 0.2999 0.2315 0.3451 0.0147 0.0083 0.0010 18 PHE A CE2 103 C CZ . PHE A 18 ? 0.3064 0.2634 0.3554 0.0124 0.0169 0.0015 18 PHE A CZ 104 N N . ALA A 19 ? 0.3456 0.2848 0.5158 0.0891 -0.0206 -0.0559 19 ALA A N 105 C CA . ALA A 19 ? 0.3779 0.3221 0.5819 0.1077 -0.0238 -0.0759 19 ALA A CA 106 C C . ALA A 19 ? 0.4213 0.3359 0.6171 0.1111 -0.0244 -0.0852 19 ALA A C 107 O O . ALA A 19 ? 0.4415 0.3663 0.6620 0.1233 -0.0186 -0.1070 19 ALA A O 108 C CB . ALA A 19 ? 0.3966 0.3330 0.6236 0.1239 -0.0464 -0.0730 19 ALA A CB 109 N N . ASN A 20 ? 0.4451 0.3236 0.6070 0.0998 -0.0313 -0.0701 20 ASN A N 110 C CA . ASN A 20 ? 0.4887 0.3335 0.6370 0.0991 -0.0335 -0.0763 20 ASN A CA 111 C C . ASN A 20 ? 0.5057 0.3237 0.6143 0.0793 -0.0370 -0.0557 20 ASN A C 112 O O . ASN A 20 ? 0.4704 0.3034 0.5661 0.0678 -0.0332 -0.0413 20 ASN A O 113 C CB . ASN A 20 ? 0.5217 0.3352 0.6896 0.1196 -0.0531 -0.0852 20 ASN A CB 114 C CG . ASN A 20 ? 0.5790 0.3704 0.7448 0.1249 -0.0771 -0.0672 20 ASN A CG 115 O OD1 . ASN A 20 ? 0.5793 0.3508 0.7115 0.1085 -0.0830 -0.0453 20 ASN A OD1 116 N ND2 . ASN A 20 ? 0.6054 0.4020 0.8070 0.1471 -0.0912 -0.0767 20 ASN A ND2 117 N N . ARG A 21 ? 0.5559 0.3350 0.6467 0.0752 -0.0440 -0.0555 21 ARG A N 118 C CA . ARG A 21 ? 0.5870 0.3426 0.6416 0.0541 -0.0457 -0.0386 21 ARG A CA 119 C C . ARG A 21 ? 0.5952 0.3372 0.6320 0.0462 -0.0582 -0.0163 21 ARG A C 120 O O . ARG A 21 ? 0.5937 0.3389 0.6063 0.0270 -0.0519 -0.0037 21 ARG A O 121 C CB . ARG A 21 ? 0.6378 0.3500 0.6779 0.0509 -0.0533 -0.0435 21 ARG A CB 122 C CG . ARG A 21 ? 0.7138 0.4132 0.7205 0.0256 -0.0484 -0.0320 21 ARG A CG 123 C CD . ARG A 21 ? 0.8467 0.4978 0.8360 0.0196 -0.0581 -0.0353 21 ARG A CD 124 N NE . ARG A 21 ? 0.8994 0.5586 0.8970 0.0226 -0.0467 -0.0566 21 ARG A NE 125 C CZ . ARG A 21 ? 0.8953 0.5670 0.8780 0.0049 -0.0344 -0.0591 21 ARG A CZ 126 N NH1 . ARG A 21 ? 0.8463 0.5261 0.8092 -0.0159 -0.0313 -0.0427 21 ARG A NH1 127 N NH2 . ARG A 21 ? 0.9236 0.6003 0.9116 0.0079 -0.0255 -0.0793 21 ARG A NH2 128 N N . SER A 22 ? 0.6072 0.3367 0.6562 0.0603 -0.0755 -0.0125 22 SER A N 129 C CA . SER A 22 ? 0.6269 0.3382 0.6538 0.0516 -0.0895 0.0085 22 SER A CA 130 C C . SER A 22 ? 0.6023 0.3483 0.6400 0.0540 -0.0866 0.0134 22 SER A C 131 O O . SER A 22 ? 0.6217 0.3730 0.6359 0.0379 -0.0826 0.0272 22 SER A O 132 C CB . SER A 22 ? 0.6913 0.3516 0.7117 0.0604 -0.1168 0.0154 22 SER A CB 133 O OG . SER A 22 ? 0.6941 0.3447 0.7451 0.0833 -0.1248 -0.0025 22 SER A OG 134 N N . TRP A 23 ? 0.5636 0.3356 0.6372 0.0728 -0.0869 0.0004 23 TRP A N 135 C CA . TRP A 23 ? 0.5148 0.3162 0.6029 0.0773 -0.0885 0.0036 23 TRP A CA 136 C C . TRP A 23 ? 0.4723 0.3175 0.5652 0.0690 -0.0656 -0.0007 23 TRP A C 137 O O . TRP A 23 ? 0.4504 0.3188 0.5592 0.0718 -0.0498 -0.0152 23 TRP A O 138 C CB . TRP A 23 ? 0.5159 0.3271 0.6447 0.1009 -0.0995 -0.0105 23 TRP A CB 139 C CG . TRP A 23 ? 0.4977 0.3292 0.6442 0.1079 -0.1098 -0.0068 23 TRP A CG 140 C CD1 . TRP A 23 ? 0.4966 0.3045 0.6440 0.1164 -0.1364 0.0027 23 TRP A CD1 141 C CD2 . TRP A 23 ? 0.4396 0.3185 0.6060 0.1067 -0.0957 -0.0130 23 TRP A CD2 142 N NE1 . TRP A 23 ? 0.4838 0.3233 0.6517 0.1208 -0.1399 0.0022 23 TRP A NE1 143 C CE2 . TRP A 23 ? 0.4527 0.3358 0.6327 0.1145 -0.1147 -0.0074 23 TRP A CE2 144 C CE3 . TRP A 23 ? 0.4144 0.3296 0.5858 0.0985 -0.0706 -0.0216 23 TRP A CE3 145 C CZ2 . TRP A 23 ? 0.3807 0.3049 0.5810 0.1137 -0.1082 -0.0114 23 TRP A CZ2 146 C CZ3 . TRP A 23 ? 0.3652 0.3181 0.5544 0.0973 -0.0641 -0.0243 23 TRP A CZ3 147 C CH2 . TRP A 23 ? 0.3912 0.3488 0.5952 0.1045 -0.0823 -0.0197 23 TRP A CH2 148 N N . SER A 24 ? 0.4586 0.3132 0.5357 0.0581 -0.0644 0.0117 24 SER A N 149 C CA . SER A 24 ? 0.4120 0.3039 0.4949 0.0523 -0.0471 0.0085 24 SER A CA 150 C C . SER A 24 ? 0.3997 0.2977 0.4748 0.0479 -0.0538 0.0192 24 SER A C 151 O O . SER A 24 ? 0.4126 0.2849 0.4674 0.0437 -0.0685 0.0314 24 SER A O 152 C CB . SER A 24 ? 0.4060 0.3013 0.4683 0.0377 -0.0312 0.0106 24 SER A CB 153 O OG . SER A 24 ? 0.4673 0.3433 0.5003 0.0247 -0.0358 0.0249 24 SER A OG 154 N N . ARG A 25 ? 0.3631 0.2931 0.4518 0.0475 -0.0436 0.0144 25 ARG A N 155 C CA . ARG A 25 ? 0.3582 0.2933 0.4350 0.0404 -0.0473 0.0235 25 ARG A CA 156 C C . ARG A 25 ? 0.3245 0.2843 0.4000 0.0325 -0.0295 0.0206 25 ARG A C 157 O O . ARG A 25 ? 0.2984 0.2772 0.3896 0.0348 -0.0175 0.0109 25 ARG A O 158 C CB . ARG A 25 ? 0.3565 0.2980 0.4538 0.0505 -0.0633 0.0226 25 ARG A CB 159 C CG . ARG A 25 ? 0.3826 0.3573 0.5173 0.0600 -0.0566 0.0081 25 ARG A CG 160 C CD . ARG A 25 ? 0.3950 0.3799 0.5525 0.0689 -0.0743 0.0074 25 ARG A CD 161 N NE . ARG A 25 ? 0.3632 0.3494 0.5017 0.0579 -0.0778 0.0173 25 ARG A NE 162 C CZ . ARG A 25 ? 0.3881 0.3624 0.5195 0.0583 -0.0979 0.0259 25 ARG A CZ 163 N NH1 . ARG A 25 ? 0.4075 0.3647 0.5493 0.0704 -0.1198 0.0280 25 ARG A NH1 164 N NH2 . ARG A 25 ? 0.3786 0.3550 0.4897 0.0463 -0.0973 0.0326 25 ARG A NH2 165 N N . THR A 26 ? 0.3172 0.2749 0.3722 0.0227 -0.0284 0.0286 26 THR A N 166 C CA . THR A 26 ? 0.3001 0.2765 0.3533 0.0165 -0.0147 0.0263 26 THR A CA 167 C C . THR A 26 ? 0.3012 0.2829 0.3514 0.0137 -0.0204 0.0294 26 THR A C 168 O O . THR A 26 ? 0.2977 0.2639 0.3294 0.0095 -0.0298 0.0367 26 THR A O 169 C CB . THR A 26 ? 0.3037 0.2740 0.3366 0.0075 -0.0044 0.0294 26 THR A CB 170 O OG1 . THR A 26 ? 0.3380 0.3058 0.3755 0.0093 0.0004 0.0252 26 THR A OG1 171 C CG2 . THR A 26 ? 0.2814 0.2670 0.3133 0.0035 0.0060 0.0273 26 THR A CG2 172 N N . ASP A 27 ? 0.2841 0.2864 0.3501 0.0142 -0.0149 0.0238 27 ASP A N 173 C CA . ASP A 27 ? 0.2879 0.2963 0.3527 0.0103 -0.0197 0.0251 27 ASP A CA 174 C C . ASP A 27 ? 0.2768 0.2942 0.3376 0.0040 -0.0073 0.0227 27 ASP A C 175 O O . ASP A 27 ? 0.2716 0.2994 0.3420 0.0044 0.0022 0.0184 27 ASP A O 176 C CB . ASP A 27 ? 0.2782 0.3022 0.3704 0.0166 -0.0289 0.0203 27 ASP A CB 177 C CG . ASP A 27 ? 0.3507 0.3626 0.4492 0.0256 -0.0454 0.0228 27 ASP A CG 178 O OD1 . ASP A 27 ? 0.3830 0.4001 0.5027 0.0351 -0.0454 0.0163 27 ASP A OD1 179 O OD2 . ASP A 27 ? 0.3740 0.3682 0.4538 0.0228 -0.0588 0.0311 27 ASP A OD2 180 N N . SER A 28 ? 0.2704 0.2816 0.3152 -0.0020 -0.0086 0.0252 28 SER A N 181 C CA . SER A 28 ? 0.2728 0.2875 0.3135 -0.0068 0.0000 0.0229 28 SER A CA 182 C C . SER A 28 ? 0.2673 0.2820 0.3047 -0.0120 -0.0052 0.0221 28 SER A C 183 O O . SER A 28 ? 0.2855 0.2935 0.3138 -0.0137 -0.0148 0.0241 28 SER A O 184 C CB . SER A 28 ? 0.2752 0.2797 0.2976 -0.0085 0.0072 0.0238 28 SER A CB 185 O OG . SER A 28 ? 0.3052 0.3096 0.3296 -0.0055 0.0112 0.0247 28 SER A OG 186 N N . VAL A 29 ? 0.2664 0.2851 0.3070 -0.0161 0.0003 0.0196 29 VAL A N 187 C CA . VAL A 29 ? 0.2859 0.3007 0.3208 -0.0230 -0.0034 0.0181 29 VAL A CA 188 C C . VAL A 29 ? 0.2931 0.2969 0.3171 -0.0251 0.0037 0.0170 29 VAL A C 189 O O . VAL A 29 ? 0.2986 0.3037 0.3256 -0.0229 0.0105 0.0179 29 VAL A O 190 C CB . VAL A 29 ? 0.2896 0.3215 0.3446 -0.0279 -0.0066 0.0160 29 VAL A CB 191 C CG1 . VAL A 29 ? 0.2936 0.3386 0.3657 -0.0229 -0.0172 0.0157 29 VAL A CG1 192 C CG2 . VAL A 29 ? 0.2718 0.3143 0.3380 -0.0294 0.0032 0.0148 29 VAL A CG2 193 N N . VAL A 30 ? 0.2997 0.2911 0.3108 -0.0293 0.0009 0.0146 30 VAL A N 194 C CA . VAL A 30 ? 0.2811 0.2584 0.2834 -0.0295 0.0050 0.0125 30 VAL A CA 195 C C . VAL A 30 ? 0.2991 0.2688 0.2990 -0.0385 0.0005 0.0112 30 VAL A C 196 O O . VAL A 30 ? 0.2995 0.2699 0.2967 -0.0439 -0.0059 0.0092 30 VAL A O 197 C CB . VAL A 30 ? 0.2988 0.2654 0.2866 -0.0246 0.0074 0.0079 30 VAL A CB 198 C CG1 . VAL A 30 ? 0.2789 0.2309 0.2623 -0.0214 0.0101 0.0039 30 VAL A CG1 199 C CG2 . VAL A 30 ? 0.2502 0.2258 0.2401 -0.0190 0.0120 0.0099 30 VAL A CG2 200 N N . TRP A 31 ? 0.3057 0.2669 0.3052 -0.0417 0.0027 0.0132 31 TRP A N 201 C CA . TRP A 31 ? 0.3170 0.2655 0.3110 -0.0529 -0.0014 0.0131 31 TRP A CA 202 C C . TRP A 31 ? 0.3372 0.2571 0.3169 -0.0502 -0.0030 0.0115 31 TRP A C 203 O O . TRP A 31 ? 0.3436 0.2572 0.3224 -0.0416 -0.0005 0.0131 31 TRP A O 204 C CB . TRP A 31 ? 0.3119 0.2733 0.3160 -0.0633 0.0013 0.0180 31 TRP A CB 205 C CG . TRP A 31 ? 0.3146 0.3063 0.3385 -0.0647 0.0025 0.0170 31 TRP A CG 206 C CD1 . TRP A 31 ? 0.3078 0.3178 0.3444 -0.0564 0.0073 0.0173 31 TRP A CD1 207 C CD2 . TRP A 31 ? 0.2985 0.3057 0.3343 -0.0736 -0.0026 0.0143 31 TRP A CD2 208 N NE1 . TRP A 31 ? 0.2977 0.3318 0.3541 -0.0580 0.0051 0.0144 31 TRP A NE1 209 C CE2 . TRP A 31 ? 0.2914 0.3267 0.3495 -0.0681 -0.0012 0.0126 31 TRP A CE2 210 C CE3 . TRP A 31 ? 0.2900 0.2899 0.3209 -0.0853 -0.0093 0.0123 31 TRP A CE3 211 C CZ2 . TRP A 31 ? 0.2825 0.3417 0.3616 -0.0725 -0.0073 0.0089 31 TRP A CZ2 212 C CZ3 . TRP A 31 ? 0.3153 0.3406 0.3658 -0.0923 -0.0149 0.0092 31 TRP A CZ3 213 C CH2 . TRP A 31 ? 0.2787 0.3346 0.3547 -0.0850 -0.0141 0.0074 31 TRP A CH2 214 N N . LEU A 32 ? 0.3560 0.2576 0.3254 -0.0572 -0.0086 0.0077 32 LEU A N 215 C CA . LEU A 32 ? 0.3771 0.2471 0.3339 -0.0562 -0.0127 0.0060 32 LEU A CA 216 C C . LEU A 32 ? 0.3943 0.2531 0.3457 -0.0743 -0.0176 0.0109 32 LEU A C 217 O O . LEU A 32 ? 0.3945 0.2541 0.3437 -0.0847 -0.0213 0.0073 32 LEU A O 218 C CB . LEU A 32 ? 0.3870 0.2409 0.3339 -0.0489 -0.0145 -0.0054 32 LEU A CB 219 C CG . LEU A 32 ? 0.4198 0.2368 0.3558 -0.0454 -0.0205 -0.0096 32 LEU A CG 220 C CD1 . LEU A 32 ? 0.3954 0.2047 0.3367 -0.0333 -0.0208 -0.0054 32 LEU A CD1 221 C CD2 . LEU A 32 ? 0.4102 0.2127 0.3372 -0.0386 -0.0208 -0.0245 32 LEU A CD2 222 N N . GLY A 33 ? 0.4086 0.2571 0.3560 -0.0799 -0.0180 0.0193 33 GLY A N 223 C CA . GLY A 33 ? 0.4288 0.2745 0.3715 -0.1012 -0.0195 0.0258 33 GLY A CA 224 C C . GLY A 33 ? 0.4033 0.2900 0.3650 -0.1092 -0.0133 0.0249 33 GLY A C 225 O O . GLY A 33 ? 0.3823 0.2958 0.3581 -0.1010 -0.0066 0.0254 33 GLY A O 226 N N . ASP A 34 ? 0.4141 0.3053 0.3778 -0.1244 -0.0168 0.0224 34 ASP A N 227 C CA . ASP A 34 ? 0.4026 0.3331 0.3885 -0.1306 -0.0141 0.0193 34 ASP A CA 228 C C . ASP A 34 ? 0.3949 0.3336 0.3865 -0.1227 -0.0206 0.0120 34 ASP A C 229 O O . ASP A 34 ? 0.3983 0.3640 0.4070 -0.1298 -0.0237 0.0092 34 ASP A O 230 C CB . ASP A 34 ? 0.4175 0.3554 0.4059 -0.1557 -0.0138 0.0213 34 ASP A CB 231 C CG . ASP A 34 ? 0.4846 0.3925 0.4561 -0.1682 -0.0234 0.0194 34 ASP A CG 232 O OD1 . ASP A 34 ? 0.4984 0.3807 0.4569 -0.1561 -0.0298 0.0149 34 ASP A OD1 233 O OD2 . ASP A 34 ? 0.5396 0.4491 0.5099 -0.1915 -0.0239 0.0213 34 ASP A OD2 234 N N . LEU A 35 ? 0.3854 0.3027 0.3630 -0.1088 -0.0231 0.0085 35 LEU A N 235 C CA . LEU A 35 ? 0.3748 0.2997 0.3524 -0.1020 -0.0280 0.0025 35 LEU A CA 236 C C . LEU A 35 ? 0.3472 0.2844 0.3294 -0.0851 -0.0234 0.0029 35 LEU A C 237 O O . LEU A 35 ? 0.3338 0.2591 0.3095 -0.0743 -0.0177 0.0034 35 LEU A O 238 C CB . LEU A 35 ? 0.4036 0.2968 0.3588 -0.1034 -0.0336 -0.0045 35 LEU A CB 239 C CG . LEU A 35 ? 0.4549 0.3285 0.4013 -0.1212 -0.0396 -0.0053 35 LEU A CG 240 C CD1 . LEU A 35 ? 0.4988 0.3378 0.4224 -0.1191 -0.0444 -0.0146 35 LEU A CD1 241 C CD2 . LEU A 35 ? 0.4428 0.3431 0.4040 -0.1377 -0.0454 -0.0049 35 LEU A CD2 242 N N . GLN A 36 ? 0.3246 0.2846 0.3182 -0.0832 -0.0274 0.0028 36 GLN A N 243 C CA . GLN A 36 ? 0.3055 0.2740 0.3008 -0.0700 -0.0249 0.0041 36 GLN A CA 244 C C . GLN A 36 ? 0.3286 0.2781 0.3009 -0.0656 -0.0260 -0.0007 36 GLN A C 245 O O . GLN A 36 ? 0.3562 0.2986 0.3165 -0.0724 -0.0336 -0.0048 36 GLN A O 246 C CB . GLN A 36 ? 0.2972 0.2923 0.3118 -0.0690 -0.0316 0.0062 36 GLN A CB 247 C CG . GLN A 36 ? 0.2579 0.2590 0.2749 -0.0560 -0.0292 0.0094 36 GLN A CG 248 C CD . GLN A 36 ? 0.3015 0.3248 0.3398 -0.0523 -0.0382 0.0114 36 GLN A CD 249 O OE1 . GLN A 36 ? 0.2668 0.3072 0.3231 -0.0581 -0.0462 0.0096 36 GLN A OE1 250 N NE2 . GLN A 36 ? 0.2982 0.3206 0.3353 -0.0424 -0.0379 0.0145 36 GLN A NE2 251 N N . THR A 37 ? 0.3259 0.2698 0.2924 -0.0552 -0.0180 -0.0012 37 THR A N 252 C CA . THR A 37 ? 0.3526 0.2836 0.2988 -0.0518 -0.0159 -0.0079 37 THR A CA 253 C C . THR A 37 ? 0.3477 0.2889 0.2895 -0.0473 -0.0144 -0.0051 37 THR A C 254 O O . THR A 37 ? 0.3707 0.3047 0.2923 -0.0494 -0.0141 -0.0099 37 THR A O 255 C CB . THR A 37 ? 0.3661 0.2809 0.3074 -0.0444 -0.0078 -0.0141 37 THR A CB 256 O OG1 . THR A 37 ? 0.3442 0.2684 0.2997 -0.0366 -0.0020 -0.0084 37 THR A OG1 257 C CG2 . THR A 37 ? 0.3641 0.2589 0.3020 -0.0500 -0.0121 -0.0172 37 THR A CG2 258 N N . HIS A 38 ? 0.3314 0.2874 0.2895 -0.0423 -0.0130 0.0020 38 HIS A N 259 C CA . HIS A 38 ? 0.3252 0.2861 0.2775 -0.0390 -0.0125 0.0057 38 HIS A CA 260 C C . HIS A 38 ? 0.3186 0.2939 0.2902 -0.0363 -0.0186 0.0131 38 HIS A C 261 O O . HIS A 38 ? 0.3000 0.2861 0.2921 -0.0355 -0.0184 0.0140 38 HIS A O 262 C CB . HIS A 38 ? 0.3155 0.2756 0.2655 -0.0325 -0.0006 0.0036 38 HIS A CB 263 C CG . HIS A 38 ? 0.3407 0.2904 0.2784 -0.0317 0.0065 -0.0062 38 HIS A CG 264 N ND1 . HIS A 38 ? 0.3510 0.2919 0.2946 -0.0291 0.0078 -0.0111 38 HIS A ND1 265 C CD2 . HIS A 38 ? 0.3271 0.2740 0.2481 -0.0327 0.0134 -0.0133 38 HIS A CD2 266 C CE1 . HIS A 38 ? 0.3487 0.2812 0.2824 -0.0261 0.0138 -0.0217 38 HIS A CE1 267 N NE2 . HIS A 38 ? 0.3743 0.3128 0.2949 -0.0287 0.0186 -0.0242 38 HIS A NE2 268 N N . ARG A 39 ? 0.3136 0.2881 0.2778 -0.0352 -0.0237 0.0177 39 ARG A N 269 C CA . ARG A 39 ? 0.3314 0.3157 0.3134 -0.0305 -0.0314 0.0233 39 ARG A CA 270 C C . ARG A 39 ? 0.3329 0.3084 0.3010 -0.0285 -0.0300 0.0279 39 ARG A C 271 O O . ARG A 39 ? 0.3597 0.3229 0.3012 -0.0348 -0.0305 0.0286 39 ARG A O 272 C CB . ARG A 39 ? 0.3570 0.3432 0.3400 -0.0345 -0.0483 0.0252 39 ARG A CB 273 C CG . ARG A 39 ? 0.4519 0.4436 0.4497 -0.0280 -0.0609 0.0307 39 ARG A CG 274 C CD . ARG A 39 ? 0.5164 0.5047 0.5070 -0.0325 -0.0813 0.0339 39 ARG A CD 275 N NE . ARG A 39 ? 0.5851 0.5877 0.5907 -0.0376 -0.0849 0.0284 39 ARG A NE 276 C CZ . ARG A 39 ? 0.6572 0.6529 0.6449 -0.0473 -0.0946 0.0275 39 ARG A CZ 277 N NH1 . ARG A 39 ? 0.7000 0.6748 0.6517 -0.0532 -0.1004 0.0313 39 ARG A NH1 278 N NH2 . ARG A 39 ? 0.6574 0.6667 0.6608 -0.0533 -0.0978 0.0223 39 ARG A NH2 279 N N . TRP A 40 ? 0.3047 0.2856 0.2884 -0.0216 -0.0279 0.0305 40 TRP A N 280 C CA . TRP A 40 ? 0.3171 0.2870 0.2869 -0.0217 -0.0284 0.0357 40 TRP A CA 281 C C . TRP A 40 ? 0.3142 0.2862 0.3031 -0.0137 -0.0365 0.0391 40 TRP A C 282 O O . TRP A 40 ? 0.3042 0.2833 0.3087 -0.0082 -0.0287 0.0367 40 TRP A O 283 C CB . TRP A 40 ? 0.2876 0.2577 0.2506 -0.0227 -0.0127 0.0328 40 TRP A CB 284 C CG . TRP A 40 ? 0.3187 0.2778 0.2630 -0.0274 -0.0114 0.0374 40 TRP A CG 285 C CD1 . TRP A 40 ? 0.3689 0.3121 0.2914 -0.0340 -0.0224 0.0448 40 TRP A CD1 286 C CD2 . TRP A 40 ? 0.2970 0.2593 0.2399 -0.0286 0.0010 0.0355 40 TRP A CD2 287 N NE1 . TRP A 40 ? 0.3848 0.3202 0.2908 -0.0407 -0.0160 0.0477 40 TRP A NE1 288 C CE2 . TRP A 40 ? 0.3440 0.2932 0.2642 -0.0374 -0.0011 0.0413 40 TRP A CE2 289 C CE3 . TRP A 40 ? 0.2991 0.2738 0.2566 -0.0241 0.0126 0.0298 40 TRP A CE3 290 C CZ2 . TRP A 40 ? 0.3709 0.3221 0.2853 -0.0426 0.0093 0.0407 40 TRP A CZ2 291 C CZ3 . TRP A 40 ? 0.3148 0.2926 0.2683 -0.0275 0.0216 0.0289 40 TRP A CZ3 292 C CH2 . TRP A 40 ? 0.3422 0.3098 0.2758 -0.0370 0.0207 0.0338 40 TRP A CH2 293 N N . SER A 41 ? 0.3402 0.3048 0.3268 -0.0131 -0.0535 0.0440 41 SER A N 294 C CA . SER A 41 ? 0.3656 0.3287 0.3705 -0.0037 -0.0652 0.0465 41 SER A CA 295 C C . SER A 41 ? 0.3785 0.3217 0.3679 -0.0039 -0.0646 0.0523 41 SER A C 296 O O . SER A 41 ? 0.3979 0.3244 0.3557 -0.0143 -0.0632 0.0580 41 SER A O 297 C CB . SER A 41 ? 0.3861 0.3432 0.3889 -0.0035 -0.0872 0.0513 41 SER A CB 298 O OG . SER A 41 ? 0.4342 0.3823 0.4499 0.0064 -0.1016 0.0549 41 SER A OG 299 N N . ASN A 42 ? 0.3777 0.3226 0.3886 0.0060 -0.0656 0.0498 42 ASN A N 300 C CA . ASN A 42 ? 0.4053 0.3270 0.4022 0.0055 -0.0691 0.0555 42 ASN A CA 301 C C . ASN A 42 ? 0.4585 0.3506 0.4235 -0.0021 -0.0862 0.0679 42 ASN A C 302 O O . ASN A 42 ? 0.4837 0.3556 0.4218 -0.0119 -0.0834 0.0743 42 ASN A O 303 C CB . ASN A 42 ? 0.3920 0.3152 0.4176 0.0194 -0.0734 0.0500 42 ASN A CB 304 C CG . ASN A 42 ? 0.4210 0.3212 0.4310 0.0165 -0.0713 0.0538 42 ASN A CG 305 O OD1 . ASN A 42 ? 0.3718 0.2790 0.3781 0.0114 -0.0545 0.0502 42 ASN A OD1 306 N ND2 . ASN A 42 ? 0.4449 0.3156 0.4435 0.0184 -0.0898 0.0618 42 ASN A ND2 307 N N . ASP A 43 ? 0.4923 0.3825 0.4599 0.0007 -0.1044 0.0711 43 ASP A N 308 C CA . ASP A 43 ? 0.5647 0.4259 0.5018 -0.0062 -0.1254 0.0838 43 ASP A CA 309 C C . ASP A 43 ? 0.5758 0.4262 0.4685 -0.0259 -0.1182 0.0897 43 ASP A C 310 O O . ASP A 43 ? 0.6315 0.4534 0.4888 -0.0368 -0.1312 0.1013 43 ASP A O 311 C CB . ASP A 43 ? 0.5862 0.4551 0.5432 0.0028 -0.1471 0.0838 43 ASP A CB 312 C CG . ASP A 43 ? 0.6430 0.5285 0.6496 0.0233 -0.1536 0.0749 43 ASP A CG 313 O OD1 . ASP A 43 ? 0.6962 0.5629 0.7082 0.0318 -0.1608 0.0767 43 ASP A OD1 314 O OD2 . ASP A 43 ? 0.6975 0.6149 0.7374 0.0300 -0.1507 0.0649 43 ASP A OD2 315 N N . SER A 44 ? 0.5373 0.4093 0.4312 -0.0309 -0.0976 0.0809 44 SER A N 316 C CA . SER A 44 ? 0.5489 0.4172 0.4073 -0.0473 -0.0895 0.0817 44 SER A CA 317 C C . SER A 44 ? 0.5404 0.4103 0.3833 -0.0571 -0.0677 0.0788 44 SER A C 318 O O . SER A 44 ? 0.5030 0.3902 0.3704 -0.0499 -0.0525 0.0710 44 SER A O 319 C CB . SER A 44 ? 0.5228 0.4132 0.3948 -0.0452 -0.0838 0.0720 44 SER A CB 320 O OG . SER A 44 ? 0.5491 0.4368 0.3893 -0.0593 -0.0735 0.0693 44 SER A OG 321 N N . ALA A 45 ? 0.5640 0.4177 0.3660 -0.0747 -0.0659 0.0844 45 ALA A N 322 C CA . ALA A 45 ? 0.5545 0.4148 0.3444 -0.0856 -0.0443 0.0800 45 ALA A CA 323 C C . ALA A 45 ? 0.5201 0.4077 0.3230 -0.0833 -0.0245 0.0654 45 ALA A C 324 O O . ALA A 45 ? 0.4998 0.4025 0.3123 -0.0841 -0.0070 0.0583 45 ALA A O 325 C CB . ALA A 45 ? 0.6005 0.4388 0.3418 -0.1082 -0.0456 0.0890 45 ALA A CB 326 N N . THR A 46 ? 0.5127 0.4053 0.3167 -0.0804 -0.0292 0.0608 46 THR A N 327 C CA . THR A 46 ? 0.5014 0.4122 0.3103 -0.0800 -0.0132 0.0471 46 THR A CA 328 C C . THR A 46 ? 0.4627 0.3855 0.3037 -0.0656 -0.0168 0.0415 46 THR A C 329 O O . THR A 46 ? 0.4476 0.3661 0.2994 -0.0600 -0.0331 0.0473 46 THR A O 330 C CB . THR A 46 ? 0.5333 0.4363 0.3047 -0.0950 -0.0122 0.0438 46 THR A CB 331 O OG1 . THR A 46 ? 0.5959 0.4833 0.3547 -0.0968 -0.0340 0.0525 46 THR A OG1 332 C CG2 . THR A 46 ? 0.5818 0.4770 0.3180 -0.1134 -0.0033 0.0466 46 THR A CG2 333 N N . ILE A 47 ? 0.4311 0.3688 0.2867 -0.0607 -0.0023 0.0300 47 ILE A N 334 C CA . ILE A 47 ? 0.4208 0.3668 0.3006 -0.0510 -0.0041 0.0248 47 ILE A CA 335 C C . ILE A 47 ? 0.4416 0.3801 0.3047 -0.0572 -0.0128 0.0223 47 ILE A C 336 O O . ILE A 47 ? 0.4758 0.4079 0.3109 -0.0672 -0.0080 0.0175 47 ILE A O 337 C CB . ILE A 47 ? 0.3992 0.3572 0.2942 -0.0448 0.0117 0.0144 47 ILE A CB 338 C CG1 . ILE A 47 ? 0.3586 0.3246 0.2685 -0.0403 0.0185 0.0172 47 ILE A CG1 339 C CG2 . ILE A 47 ? 0.3939 0.3556 0.3094 -0.0373 0.0092 0.0106 47 ILE A CG2 340 C CD1 . ILE A 47 ? 0.3390 0.3166 0.2570 -0.0371 0.0329 0.0076 47 ILE A CD1 341 N N . SER A 48 ? 0.4214 0.3618 0.3001 -0.0532 -0.0254 0.0246 48 SER A N 342 C CA . SER A 48 ? 0.4343 0.3684 0.2975 -0.0605 -0.0340 0.0210 48 SER A CA 343 C C . SER A 48 ? 0.4135 0.3521 0.2896 -0.0577 -0.0271 0.0108 48 SER A C 344 O O . SER A 48 ? 0.3827 0.3308 0.2864 -0.0499 -0.0241 0.0107 48 SER A O 345 C CB . SER A 48 ? 0.4274 0.3615 0.2989 -0.0603 -0.0546 0.0289 48 SER A CB 346 O OG . SER A 48 ? 0.5015 0.4281 0.3660 -0.0600 -0.0644 0.0394 48 SER A OG 347 N N . PHE A 49 ? 0.4310 0.3604 0.2847 -0.0655 -0.0261 0.0025 49 PHE A N 348 C CA . PHE A 49 ? 0.4294 0.3559 0.2899 -0.0650 -0.0237 -0.0070 49 PHE A CA 349 C C . PHE A 49 ? 0.4312 0.3603 0.3023 -0.0688 -0.0397 -0.0026 49 PHE A C 350 O O . PHE A 49 ? 0.4530 0.3790 0.3093 -0.0761 -0.0533 0.0016 49 PHE A O 351 C CB . PHE A 49 ? 0.4476 0.3616 0.2781 -0.0727 -0.0179 -0.0193 49 PHE A CB 352 C CG . PHE A 49 ? 0.4779 0.3939 0.3010 -0.0695 -0.0003 -0.0280 49 PHE A CG 353 C CD1 . PHE A 49 ? 0.4585 0.3852 0.3063 -0.0583 0.0092 -0.0266 49 PHE A CD1 354 C CD2 . PHE A 49 ? 0.4914 0.4012 0.2831 -0.0786 0.0070 -0.0388 49 PHE A CD2 355 C CE1 . PHE A 49 ? 0.4778 0.4110 0.3232 -0.0554 0.0250 -0.0358 49 PHE A CE1 356 C CE2 . PHE A 49 ? 0.4977 0.4151 0.2862 -0.0763 0.0251 -0.0492 49 PHE A CE2 357 C CZ . PHE A 49 ? 0.4876 0.4179 0.3054 -0.0641 0.0337 -0.0479 49 PHE A CZ 358 N N . THR A 50 ? 0.4064 0.3411 0.3015 -0.0656 -0.0390 -0.0039 50 THR A N 359 C CA . THR A 50 ? 0.4139 0.3550 0.3211 -0.0718 -0.0526 -0.0019 50 THR A CA 360 C C . THR A 50 ? 0.4327 0.3592 0.3270 -0.0802 -0.0527 -0.0116 50 THR A C 361 O O . THR A 50 ? 0.4356 0.3656 0.3367 -0.0885 -0.0635 -0.0118 50 THR A O 362 C CB . THR A 50 ? 0.3870 0.3475 0.3301 -0.0663 -0.0527 0.0035 50 THR A CB 363 O OG1 . THR A 50 ? 0.3922 0.3490 0.3424 -0.0622 -0.0393 0.0007 50 THR A OG1 364 C CG2 . THR A 50 ? 0.3560 0.3278 0.3108 -0.0576 -0.0544 0.0113 50 THR A CG2 365 N N . LYS A 51 ? 0.4375 0.3479 0.3142 -0.0781 -0.0412 -0.0210 51 LYS A N 366 C CA . LYS A 51 ? 0.4554 0.3467 0.3159 -0.0855 -0.0422 -0.0324 51 LYS A CA 367 C C . LYS A 51 ? 0.4701 0.3486 0.2988 -0.0876 -0.0360 -0.0433 51 LYS A C 368 O O . LYS A 51 ? 0.4558 0.3402 0.2789 -0.0822 -0.0267 -0.0429 51 LYS A O 369 C CB . LYS A 51 ? 0.4512 0.3318 0.3251 -0.0802 -0.0348 -0.0365 51 LYS A CB 370 C CG . LYS A 51 ? 0.4456 0.3366 0.3453 -0.0836 -0.0399 -0.0273 51 LYS A CG 371 C CD . LYS A 51 ? 0.4592 0.3471 0.3572 -0.0988 -0.0521 -0.0286 51 LYS A CD 372 C CE . LYS A 51 ? 0.4594 0.3613 0.3833 -0.1048 -0.0542 -0.0211 51 LYS A CE 373 N NZ . LYS A 51 ? 0.4433 0.3768 0.3927 -0.0982 -0.0533 -0.0119 51 LYS A NZ 374 N N . PRO A 52 ? 0.4971 0.3586 0.3040 -0.0970 -0.0401 -0.0543 52 PRO A N 375 C CA . PRO A 52 ? 0.5213 0.3723 0.2979 -0.0988 -0.0303 -0.0680 52 PRO A CA 376 C C . PRO A 52 ? 0.5171 0.3651 0.3028 -0.0852 -0.0127 -0.0788 52 PRO A C 377 O O . PRO A 52 ? 0.5307 0.3813 0.3001 -0.0842 -0.0004 -0.0888 52 PRO A O 378 C CB . PRO A 52 ? 0.5575 0.3885 0.3108 -0.1110 -0.0381 -0.0800 52 PRO A CB 379 C CG . PRO A 52 ? 0.5568 0.3921 0.3262 -0.1188 -0.0554 -0.0692 52 PRO A CG 380 C CD . PRO A 52 ? 0.5082 0.3612 0.3150 -0.1081 -0.0531 -0.0558 52 PRO A CD 381 N N . TRP A 53 ? 0.4857 0.3299 0.2974 -0.0758 -0.0119 -0.0768 53 TRP A N 382 C CA . TRP A 53 ? 0.4815 0.3197 0.3043 -0.0617 0.0002 -0.0875 53 TRP A CA 383 C C . TRP A 53 ? 0.4575 0.3144 0.3052 -0.0502 0.0065 -0.0771 53 TRP A C 384 O O . TRP A 53 ? 0.4497 0.3037 0.3124 -0.0377 0.0130 -0.0828 53 TRP A O 385 C CB . TRP A 53 ? 0.5037 0.3157 0.3319 -0.0596 -0.0053 -0.0941 53 TRP A CB 386 C CG . TRP A 53 ? 0.4491 0.2589 0.2883 -0.0684 -0.0182 -0.0796 53 TRP A CG 387 C CD1 . TRP A 53 ? 0.4456 0.2487 0.2736 -0.0840 -0.0299 -0.0781 53 TRP A CD1 388 C CD2 . TRP A 53 ? 0.4042 0.2217 0.2674 -0.0642 -0.0199 -0.0656 53 TRP A CD2 389 N NE1 . TRP A 53 ? 0.4361 0.2452 0.2831 -0.0896 -0.0375 -0.0646 53 TRP A NE1 390 C CE2 . TRP A 53 ? 0.4148 0.2318 0.2815 -0.0781 -0.0309 -0.0570 53 TRP A CE2 391 C CE3 . TRP A 53 ? 0.4226 0.2483 0.3042 -0.0512 -0.0131 -0.0602 53 TRP A CE3 392 C CZ2 . TRP A 53 ? 0.4101 0.2345 0.2963 -0.0800 -0.0331 -0.0443 53 TRP A CZ2 393 C CZ3 . TRP A 53 ? 0.3858 0.2164 0.2845 -0.0529 -0.0170 -0.0464 53 TRP A CZ3 394 C CH2 . TRP A 53 ? 0.4075 0.2376 0.3076 -0.0677 -0.0259 -0.0390 53 TRP A CH2 395 N N . SER A 54 ? 0.4456 0.3208 0.2969 -0.0541 0.0035 -0.0628 54 SER A N 396 C CA . SER A 54 ? 0.4323 0.3240 0.3054 -0.0454 0.0080 -0.0525 54 SER A CA 397 C C . SER A 54 ? 0.4310 0.3327 0.3065 -0.0369 0.0221 -0.0603 54 SER A C 398 O O . SER A 54 ? 0.4137 0.3266 0.3082 -0.0289 0.0257 -0.0541 54 SER A O 399 C CB . SER A 54 ? 0.4177 0.3238 0.2935 -0.0512 0.0005 -0.0373 54 SER A CB 400 O OG . SER A 54 ? 0.4256 0.3294 0.3068 -0.0580 -0.0121 -0.0311 54 SER A OG 401 N N . GLN A 55 ? 0.4590 0.3587 0.3150 -0.0401 0.0304 -0.0746 55 GLN A N 402 C CA . GLN A 55 ? 0.4585 0.3725 0.3202 -0.0331 0.0455 -0.0848 55 GLN A CA 403 C C . GLN A 55 ? 0.4597 0.3665 0.3410 -0.0180 0.0493 -0.0986 55 GLN A C 404 O O . GLN A 55 ? 0.4650 0.3863 0.3611 -0.0085 0.0602 -0.1081 55 GLN A O 405 C CB . GLN A 55 ? 0.4807 0.3981 0.3128 -0.0443 0.0552 -0.0970 55 GLN A CB 406 C CG . GLN A 55 ? 0.4768 0.4171 0.3124 -0.0436 0.0714 -0.1027 55 GLN A CG 407 C CD . GLN A 55 ? 0.5273 0.4713 0.3283 -0.0592 0.0818 -0.1130 55 GLN A CD 408 O OE1 . GLN A 55 ? 0.5558 0.4926 0.3284 -0.0744 0.0740 -0.1014 55 GLN A OE1 409 N NE2 . GLN A 55 ? 0.5064 0.4616 0.3090 -0.0559 0.0988 -0.1356 55 GLN A NE2 410 N N . GLY A 56 ? 0.4630 0.3465 0.3441 -0.0165 0.0396 -0.1005 56 GLY A N 411 C CA . GLY A 56 ? 0.4757 0.3447 0.3732 -0.0019 0.0392 -0.1120 56 GLY A CA 412 C C . GLY A 56 ? 0.4978 0.3692 0.3913 0.0044 0.0517 -0.1367 56 GLY A C 413 O O . GLY A 56 ? 0.5076 0.3743 0.3759 -0.0059 0.0559 -0.1475 56 GLY A O 414 N N . LYS A 57 ? 0.5060 0.3863 0.4249 0.0213 0.0575 -0.1470 57 LYS A N 415 C CA . LYS A 57 ? 0.5433 0.4314 0.4648 0.0294 0.0713 -0.1743 57 LYS A CA 416 C C . LYS A 57 ? 0.5243 0.4514 0.4549 0.0286 0.0884 -0.1802 57 LYS A C 417 O O . LYS A 57 ? 0.5322 0.4741 0.4703 0.0352 0.1024 -0.2039 57 LYS A O 418 C CB . LYS A 57 ? 0.5624 0.4300 0.5065 0.0502 0.0652 -0.1891 57 LYS A CB 419 C CG . LYS A 57 ? 0.6249 0.4495 0.5541 0.0480 0.0503 -0.1881 57 LYS A CG 420 C CD . LYS A 57 ? 0.7139 0.5248 0.6161 0.0397 0.0567 -0.2091 57 LYS A CD 421 C CE . LYS A 57 ? 0.7510 0.5168 0.6385 0.0359 0.0406 -0.2080 57 LYS A CE 422 N NZ . LYS A 57 ? 0.8475 0.5963 0.7135 0.0332 0.0467 -0.2345 57 LYS A NZ 423 N N . LEU A 58 ? 0.5033 0.4468 0.4320 0.0190 0.0876 -0.1597 58 LEU A N 424 C CA . LEU A 58 ? 0.4925 0.4698 0.4230 0.0126 0.1032 -0.1626 58 LEU A CA 425 C C . LEU A 58 ? 0.5209 0.5050 0.4184 -0.0043 0.1168 -0.1749 58 LEU A C 426 O O . LEU A 58 ? 0.5432 0.5076 0.4092 -0.0175 0.1101 -0.1689 58 LEU A O 427 C CB . LEU A 58 ? 0.4603 0.4459 0.3916 0.0049 0.0970 -0.1371 58 LEU A CB 428 C CG . LEU A 58 ? 0.4363 0.4192 0.3957 0.0176 0.0851 -0.1231 58 LEU A CG 429 C CD1 . LEU A 58 ? 0.3976 0.3891 0.3529 0.0075 0.0813 -0.1006 58 LEU A CD1 430 C CD2 . LEU A 58 ? 0.3966 0.3955 0.3906 0.0358 0.0892 -0.1360 58 LEU A CD2 431 N N . SER A 59 ? 0.5295 0.5426 0.4336 -0.0052 0.1359 -0.1929 59 SER A N 432 C CA . SER A 59 ? 0.5614 0.5845 0.4292 -0.0264 0.1508 -0.2015 59 SER A CA 433 C C . SER A 59 ? 0.5557 0.5804 0.3986 -0.0463 0.1465 -0.1761 59 SER A C 434 O O . SER A 59 ? 0.5148 0.5425 0.3756 -0.0421 0.1373 -0.1565 59 SER A O 435 C CB . SER A 59 ? 0.5734 0.6324 0.4571 -0.0244 0.1744 -0.2273 59 SER A CB 436 O OG . SER A 59 ? 0.5593 0.6453 0.4717 -0.0209 0.1775 -0.2183 59 SER A OG 437 N N . ASN A 60 ? 0.5982 0.6189 0.3982 -0.0680 0.1523 -0.1770 60 ASN A N 438 C CA . ASN A 60 ? 0.6162 0.6360 0.3887 -0.0880 0.1483 -0.1549 60 ASN A CA 439 C C . ASN A 60 ? 0.6065 0.6535 0.4000 -0.0891 0.1581 -0.1496 60 ASN A C 440 O O . ASN A 60 ? 0.5979 0.6393 0.3950 -0.0909 0.1464 -0.1270 60 ASN A O 441 C CB . ASN A 60 ? 0.6561 0.6680 0.3759 -0.1126 0.1545 -0.1597 60 ASN A CB 442 C CG . ASN A 60 ? 0.6838 0.6646 0.3791 -0.1147 0.1379 -0.1567 60 ASN A CG 443 O OD1 . ASN A 60 ? 0.6540 0.6186 0.3681 -0.1022 0.1194 -0.1441 60 ASN A OD1 444 N ND2 . ASN A 60 ? 0.7154 0.6894 0.3688 -0.1318 0.1450 -0.1697 60 ASN A ND2 445 N N . GLN A 61 ? 0.6354 0.7129 0.4464 -0.0870 0.1790 -0.1718 61 GLN A N 446 C CA . GLN A 61 ? 0.6309 0.7385 0.4645 -0.0895 0.1894 -0.1696 61 GLN A CA 447 C C . GLN A 61 ? 0.5858 0.6915 0.4599 -0.0691 0.1743 -0.1556 61 GLN A C 448 O O . GLN A 61 ? 0.5795 0.6879 0.4557 -0.0754 0.1693 -0.1372 61 GLN A O 449 C CB . GLN A 61 ? 0.6576 0.8038 0.5106 -0.0882 0.2150 -0.2007 61 GLN A CB 450 C CG . GLN A 61 ? 0.6924 0.8765 0.5639 -0.0979 0.2298 -0.2017 61 GLN A CG 451 C CD . GLN A 61 ? 0.7901 1.0180 0.6769 -0.1018 0.2584 -0.2352 61 GLN A CD 452 O OE1 . GLN A 61 ? 0.8037 1.0686 0.7342 -0.0928 0.2674 -0.2461 61 GLN A OE1 453 N NE2 . GLN A 61 ? 0.8075 1.0332 0.6590 -0.1158 0.2725 -0.2525 61 GLN A NE2 454 N N . GLN A 62 ? 0.5670 0.6645 0.4694 -0.0460 0.1659 -0.1633 62 GLN A N 455 C CA . GLN A 62 ? 0.5263 0.6227 0.4645 -0.0282 0.1525 -0.1513 62 GLN A CA 456 C C . GLN A 62 ? 0.5051 0.5765 0.4288 -0.0330 0.1343 -0.1237 62 GLN A C 457 O O . GLN A 62 ? 0.4698 0.5457 0.4132 -0.0276 0.1273 -0.1104 62 GLN A O 458 C CB . GLN A 62 ? 0.5278 0.6132 0.4926 -0.0047 0.1447 -0.1633 62 GLN A CB 459 C CG . GLN A 62 ? 0.5843 0.6933 0.5742 0.0074 0.1593 -0.1930 62 GLN A CG 460 C CD . GLN A 62 ? 0.6366 0.7231 0.6458 0.0300 0.1473 -0.2024 62 GLN A CD 461 O OE1 . GLN A 62 ? 0.6459 0.7053 0.6330 0.0287 0.1433 -0.2077 62 GLN A OE1 462 N NE2 . GLN A 62 ? 0.6528 0.7466 0.7010 0.0496 0.1388 -0.2024 62 GLN A NE2 463 N N . TRP A 63 ? 0.5106 0.5566 0.4022 -0.0421 0.1264 -0.1171 63 TRP A N 464 C CA . TRP A 63 ? 0.4942 0.5190 0.3741 -0.0462 0.1091 -0.0937 63 TRP A CA 465 C C . TRP A 63 ? 0.4954 0.5244 0.3579 -0.0624 0.1097 -0.0783 63 TRP A C 466 O O . TRP A 63 ? 0.4633 0.4881 0.3368 -0.0593 0.0996 -0.0619 63 TRP A O 467 C CB . TRP A 63 ? 0.5012 0.5006 0.3549 -0.0515 0.0987 -0.0918 63 TRP A CB 468 C CG . TRP A 63 ? 0.4928 0.4767 0.3390 -0.0559 0.0814 -0.0693 63 TRP A CG 469 C CD1 . TRP A 63 ? 0.5126 0.4861 0.3283 -0.0713 0.0742 -0.0573 63 TRP A CD1 470 C CD2 . TRP A 63 ? 0.4423 0.4212 0.3134 -0.0445 0.0692 -0.0568 63 TRP A CD2 471 N NE1 . TRP A 63 ? 0.4999 0.4637 0.3245 -0.0678 0.0578 -0.0397 63 TRP A NE1 472 C CE2 . TRP A 63 ? 0.4485 0.4171 0.3065 -0.0524 0.0562 -0.0398 63 TRP A CE2 473 C CE3 . TRP A 63 ? 0.4603 0.4417 0.3619 -0.0290 0.0674 -0.0587 63 TRP A CE3 474 C CZ2 . TRP A 63 ? 0.4446 0.4095 0.3218 -0.0452 0.0443 -0.0272 63 TRP A CZ2 475 C CZ3 . TRP A 63 ? 0.4512 0.4263 0.3665 -0.0244 0.0554 -0.0441 63 TRP A CZ3 476 C CH2 . TRP A 63 ? 0.4417 0.4108 0.3461 -0.0325 0.0455 -0.0298 63 TRP A CH2 477 N N . GLU A 64 ? 0.5233 0.5584 0.3564 -0.0805 0.1214 -0.0841 64 GLU A N 478 C CA . GLU A 64 ? 0.5465 0.5793 0.3563 -0.0987 0.1207 -0.0688 64 GLU A CA 479 C C . GLU A 64 ? 0.5236 0.5763 0.3632 -0.0939 0.1258 -0.0655 64 GLU A C 480 O O . GLU A 64 ? 0.5108 0.5537 0.3472 -0.0984 0.1162 -0.0477 64 GLU A O 481 C CB . GLU A 64 ? 0.5692 0.6042 0.3370 -0.1226 0.1336 -0.0757 64 GLU A CB 482 N N . LYS A 65 ? 0.5202 0.5996 0.3905 -0.0832 0.1389 -0.0837 65 LYS A N 483 C CA . LYS A 65 ? 0.5091 0.6113 0.4114 -0.0777 0.1433 -0.0835 65 LYS A CA 484 C C . LYS A 65 ? 0.4805 0.5696 0.4045 -0.0624 0.1262 -0.0688 65 LYS A C 485 O O . LYS A 65 ? 0.4725 0.5632 0.4019 -0.0663 0.1223 -0.0567 65 LYS A O 486 C CB . LYS A 65 ? 0.5094 0.6435 0.4440 -0.0663 0.1579 -0.1077 65 LYS A CB 487 C CG . LYS A 65 ? 0.5368 0.7007 0.5029 -0.0648 0.1638 -0.1096 65 LYS A CG 488 C CD . LYS A 65 ? 0.6394 0.8427 0.6179 -0.0716 0.1863 -0.1335 65 LYS A CD 489 C CE . LYS A 65 ? 0.6702 0.9016 0.6649 -0.0826 0.1934 -0.1307 65 LYS A CE 490 N NZ . LYS A 65 ? 0.6782 0.8978 0.6940 -0.0692 0.1749 -0.1140 65 LYS A NZ 491 N N . LEU A 66 ? 0.4600 0.5355 0.3947 -0.0465 0.1166 -0.0707 66 LEU A N 492 C CA . LEU A 66 ? 0.4312 0.4949 0.3838 -0.0338 0.1019 -0.0582 66 LEU A CA 493 C C . LEU A 66 ? 0.4210 0.4651 0.3548 -0.0424 0.0904 -0.0386 66 LEU A C 494 O O . LEU A 66 ? 0.3943 0.4378 0.3409 -0.0387 0.0841 -0.0285 66 LEU A O 495 C CB . LEU A 66 ? 0.4247 0.4750 0.3866 -0.0194 0.0945 -0.0637 66 LEU A CB 496 C CG . LEU A 66 ? 0.4351 0.4749 0.4154 -0.0073 0.0813 -0.0535 66 LEU A CG 497 C CD1 . LEU A 66 ? 0.4071 0.4659 0.4136 -0.0002 0.0831 -0.0539 66 LEU A CD1 498 C CD2 . LEU A 66 ? 0.4088 0.4332 0.3940 0.0037 0.0755 -0.0613 66 LEU A CD2 499 N N . GLN A 67 ? 0.4406 0.4687 0.3449 -0.0530 0.0868 -0.0345 67 GLN A N 500 C CA . GLN A 67 ? 0.4458 0.4551 0.3341 -0.0596 0.0738 -0.0173 67 GLN A CA 501 C C . GLN A 67 ? 0.4579 0.4702 0.3399 -0.0702 0.0765 -0.0090 67 GLN A C 502 O O . GLN A 67 ? 0.4444 0.4467 0.3317 -0.0678 0.0662 0.0032 67 GLN A O 503 C CB . GLN A 67 ? 0.4616 0.4542 0.3173 -0.0705 0.0682 -0.0152 67 GLN A CB 504 C CG . GLN A 67 ? 0.4890 0.4624 0.3312 -0.0754 0.0520 0.0022 67 GLN A CG 505 C CD . GLN A 67 ? 0.5476 0.5042 0.3584 -0.0857 0.0428 0.0056 67 GLN A CD 506 O OE1 . GLN A 67 ? 0.5440 0.4902 0.3582 -0.0802 0.0283 0.0110 67 GLN A OE1 507 N NE2 . GLN A 67 ? 0.6088 0.5640 0.3873 -0.1024 0.0515 0.0019 67 GLN A NE2 508 N N . HIS A 68 ? 0.4732 0.4999 0.3447 -0.0825 0.0909 -0.0170 68 HIS A N 509 C CA . HIS A 68 ? 0.4957 0.5250 0.3594 -0.0958 0.0944 -0.0097 68 HIS A CA 510 C C . HIS A 68 ? 0.4667 0.5067 0.3629 -0.0847 0.0926 -0.0076 68 HIS A C 511 O O . HIS A 68 ? 0.4756 0.5027 0.3678 -0.0887 0.0847 0.0044 68 HIS A O 512 C CB . HIS A 68 ? 0.5201 0.5681 0.3682 -0.1138 0.1129 -0.0205 68 HIS A CB 513 C CG . HIS A 68 ? 0.5898 0.6376 0.4257 -0.1317 0.1161 -0.0116 68 HIS A CG 514 N ND1 . HIS A 68 ? 0.6230 0.6987 0.4830 -0.1338 0.1279 -0.0193 68 HIS A ND1 515 C CD2 . HIS A 68 ? 0.6668 0.6872 0.4698 -0.1480 0.1067 0.0050 68 HIS A CD2 516 C CE1 . HIS A 68 ? 0.6634 0.7293 0.5039 -0.1529 0.1274 -0.0082 68 HIS A CE1 517 N NE2 . HIS A 68 ? 0.6900 0.7201 0.4951 -0.1613 0.1142 0.0070 68 HIS A NE2 518 N N . MET A 69 ? 0.4396 0.5008 0.3660 -0.0710 0.0985 -0.0195 69 MET A N 519 C CA . MET A 69 ? 0.4141 0.4844 0.3688 -0.0605 0.0947 -0.0174 69 MET A CA 520 C C . MET A 69 ? 0.3966 0.4449 0.3524 -0.0523 0.0795 -0.0044 69 MET A C 521 O O . MET A 69 ? 0.3761 0.4230 0.3405 -0.0518 0.0754 0.0019 69 MET A O 522 C CB . MET A 69 ? 0.3985 0.4889 0.3829 -0.0449 0.0986 -0.0310 69 MET A CB 523 C CG . MET A 69 ? 0.4603 0.5802 0.4554 -0.0486 0.1143 -0.0481 69 MET A CG 524 S SD . MET A 69 ? 0.5321 0.6751 0.5280 -0.0675 0.1253 -0.0482 69 MET A SD 525 C CE . MET A 69 ? 0.5941 0.7340 0.5514 -0.0904 0.1384 -0.0515 69 MET A CE 526 N N . PHE A 70 ? 0.3735 0.4067 0.3224 -0.0463 0.0719 -0.0022 70 PHE A N 527 C CA . PHE A 70 ? 0.3516 0.3694 0.3047 -0.0396 0.0593 0.0078 70 PHE A CA 528 C C . PHE A 70 ? 0.3644 0.3656 0.2999 -0.0491 0.0525 0.0188 70 PHE A C 529 O O . PHE A 70 ? 0.3511 0.3455 0.2953 -0.0445 0.0456 0.0248 70 PHE A O 530 C CB . PHE A 70 ? 0.3495 0.3581 0.3019 -0.0328 0.0526 0.0072 70 PHE A CB 531 C CG . PHE A 70 ? 0.3294 0.3451 0.3018 -0.0212 0.0532 0.0014 70 PHE A CG 532 C CD1 . PHE A 70 ? 0.3259 0.3427 0.3142 -0.0145 0.0489 0.0058 70 PHE A CD1 533 C CD2 . PHE A 70 ? 0.3359 0.3552 0.3097 -0.0175 0.0579 -0.0090 70 PHE A CD2 534 C CE1 . PHE A 70 ? 0.3480 0.3677 0.3504 -0.0058 0.0479 0.0022 70 PHE A CE1 535 C CE2 . PHE A 70 ? 0.3359 0.3559 0.3264 -0.0067 0.0557 -0.0131 70 PHE A CE2 536 C CZ . PHE A 70 ? 0.3321 0.3514 0.3354 -0.0015 0.0501 -0.0063 70 PHE A CZ 537 N N . GLN A 71 ? 0.3784 0.3717 0.2877 -0.0626 0.0542 0.0210 71 GLN A N 538 C CA . GLN A 71 ? 0.4047 0.3762 0.2932 -0.0721 0.0447 0.0328 71 GLN A CA 539 C C . GLN A 71 ? 0.4099 0.3823 0.3054 -0.0758 0.0470 0.0359 71 GLN A C 540 O O . GLN A 71 ? 0.4144 0.3695 0.3110 -0.0727 0.0360 0.0438 71 GLN A O 541 C CB . GLN A 71 ? 0.4302 0.3917 0.2837 -0.0896 0.0467 0.0354 71 GLN A CB 542 C CG . GLN A 71 ? 0.4800 0.4297 0.3184 -0.0884 0.0374 0.0369 71 GLN A CG 543 C CD . GLN A 71 ? 0.5398 0.4852 0.3426 -0.1064 0.0432 0.0353 71 GLN A CD 544 O OE1 . GLN A 71 ? 0.6018 0.5611 0.3969 -0.1181 0.0590 0.0286 71 GLN A OE1 545 N NE2 . GLN A 71 ? 0.5998 0.5274 0.3800 -0.1100 0.0307 0.0409 71 GLN A NE2 546 N N . VAL A 72 ? 0.3993 0.3928 0.3017 -0.0819 0.0606 0.0282 72 VAL A N 547 C CA . VAL A 72 ? 0.3976 0.3950 0.3079 -0.0869 0.0631 0.0296 72 VAL A CA 548 C C . VAL A 72 ? 0.3700 0.3707 0.3068 -0.0710 0.0575 0.0288 72 VAL A C 549 O O . VAL A 72 ? 0.3805 0.3680 0.3174 -0.0719 0.0513 0.0341 72 VAL A O 550 C CB . VAL A 72 ? 0.4099 0.4338 0.3241 -0.0983 0.0786 0.0205 72 VAL A CB 551 C CG1 . VAL A 72 ? 0.3793 0.4070 0.3017 -0.1053 0.0795 0.0225 72 VAL A CG1 552 C CG2 . VAL A 72 ? 0.4288 0.4478 0.3102 -0.1186 0.0857 0.0216 72 VAL A CG2 553 N N . TYR A 73 ? 0.3402 0.3557 0.2963 -0.0576 0.0593 0.0220 73 TYR A N 554 C CA . TYR A 73 ? 0.3042 0.3227 0.2802 -0.0450 0.0549 0.0213 73 TYR A CA 555 C C . TYR A 73 ? 0.3189 0.3164 0.2914 -0.0407 0.0441 0.0284 73 TYR A C 556 O O . TYR A 73 ? 0.3072 0.3023 0.2881 -0.0378 0.0417 0.0288 73 TYR A O 557 C CB . TYR A 73 ? 0.2802 0.3092 0.2694 -0.0337 0.0560 0.0154 73 TYR A CB 558 C CG . TYR A 73 ? 0.2880 0.3131 0.2891 -0.0236 0.0495 0.0175 73 TYR A CG 559 C CD1 . TYR A 73 ? 0.2693 0.3029 0.2830 -0.0204 0.0497 0.0161 73 TYR A CD1 560 C CD2 . TYR A 73 ? 0.3059 0.3200 0.3045 -0.0191 0.0434 0.0205 73 TYR A CD2 561 C CE1 . TYR A 73 ? 0.2751 0.3048 0.2950 -0.0142 0.0452 0.0177 73 TYR A CE1 562 C CE2 . TYR A 73 ? 0.3013 0.3148 0.3104 -0.0126 0.0397 0.0213 73 TYR A CE2 563 C CZ . TYR A 73 ? 0.2904 0.3112 0.3083 -0.0108 0.0414 0.0199 73 TYR A CZ 564 O OH . TYR A 73 ? 0.3023 0.3228 0.3262 -0.0072 0.0393 0.0202 73 TYR A OH 565 N N . ARG A 74 ? 0.3163 0.3001 0.2776 -0.0401 0.0374 0.0326 74 ARG A N 566 C CA . ARG A 74 ? 0.3220 0.2901 0.2860 -0.0338 0.0264 0.0372 74 ARG A CA 567 C C . ARG A 74 ? 0.3242 0.2751 0.2811 -0.0388 0.0216 0.0417 74 ARG A C 568 O O . ARG A 74 ? 0.3123 0.2585 0.2815 -0.0311 0.0172 0.0402 74 ARG A O 569 C CB . ARG A 74 ? 0.3324 0.2903 0.2867 -0.0327 0.0176 0.0410 74 ARG A CB 570 C CG . ARG A 74 ? 0.3398 0.2882 0.3051 -0.0234 0.0054 0.0434 74 ARG A CG 571 C CD . ARG A 74 ? 0.3615 0.3051 0.3209 -0.0223 -0.0042 0.0462 74 ARG A CD 572 N NE . ARG A 74 ? 0.3796 0.3028 0.3117 -0.0323 -0.0127 0.0544 74 ARG A NE 573 C CZ . ARG A 74 ? 0.4101 0.3236 0.3320 -0.0331 -0.0252 0.0590 74 ARG A CZ 574 N NH1 . ARG A 74 ? 0.3552 0.2800 0.2951 -0.0244 -0.0303 0.0553 74 ARG A NH1 575 N NH2 . ARG A 74 ? 0.4641 0.3561 0.3560 -0.0442 -0.0335 0.0677 74 ARG A NH2 576 N N . VAL A 75 ? 0.3468 0.2877 0.2829 -0.0528 0.0229 0.0464 75 VAL A N 577 C CA . VAL A 75 ? 0.3532 0.2747 0.2792 -0.0608 0.0187 0.0510 75 VAL A CA 578 C C . VAL A 75 ? 0.3544 0.2902 0.2955 -0.0609 0.0265 0.0446 75 VAL A C 579 O O . VAL A 75 ? 0.3736 0.2943 0.3162 -0.0601 0.0214 0.0450 75 VAL A O 580 C CB . VAL A 75 ? 0.4090 0.3170 0.3049 -0.0804 0.0196 0.0582 75 VAL A CB 581 C CG1 . VAL A 75 ? 0.3985 0.2816 0.2806 -0.0919 0.0144 0.0642 75 VAL A CG1 582 C CG2 . VAL A 75 ? 0.4002 0.2907 0.2746 -0.0826 0.0095 0.0658 75 VAL A CG2 583 N N . SER A 76 ? 0.3258 0.2893 0.2784 -0.0612 0.0374 0.0382 76 SER A N 584 C CA . SER A 76 ? 0.3160 0.2940 0.2813 -0.0630 0.0427 0.0329 76 SER A CA 585 C C . SER A 76 ? 0.3002 0.2784 0.2807 -0.0499 0.0389 0.0294 76 SER A C 586 O O . SER A 76 ? 0.3193 0.2923 0.3020 -0.0515 0.0375 0.0274 76 SER A O 587 C CB . SER A 76 ? 0.2857 0.2941 0.2629 -0.0642 0.0527 0.0264 76 SER A CB 588 O OG . SER A 76 ? 0.3279 0.3412 0.2923 -0.0778 0.0593 0.0268 76 SER A OG 589 N N . PHE A 77 ? 0.2893 0.2730 0.2781 -0.0386 0.0376 0.0281 77 PHE A N 590 C CA . PHE A 77 ? 0.2797 0.2668 0.2814 -0.0279 0.0359 0.0244 77 PHE A CA 591 C C . PHE A 77 ? 0.2906 0.2588 0.2914 -0.0252 0.0298 0.0240 77 PHE A C 592 O O . PHE A 77 ? 0.2836 0.2530 0.2906 -0.0228 0.0310 0.0186 77 PHE A O 593 C CB . PHE A 77 ? 0.2665 0.2594 0.2738 -0.0199 0.0350 0.0244 77 PHE A CB 594 C CG . PHE A 77 ? 0.2633 0.2600 0.2821 -0.0121 0.0343 0.0207 77 PHE A CG 595 C CD1 . PHE A 77 ? 0.2328 0.2207 0.2567 -0.0066 0.0291 0.0197 77 PHE A CD1 596 C CD2 . PHE A 77 ? 0.2627 0.2726 0.2873 -0.0109 0.0384 0.0179 77 PHE A CD2 597 C CE1 . PHE A 77 ? 0.2428 0.2393 0.2790 -0.0011 0.0311 0.0138 77 PHE A CE1 598 C CE2 . PHE A 77 ? 0.2494 0.2632 0.2801 -0.0075 0.0394 0.0145 77 PHE A CE2 599 C CZ . PHE A 77 ? 0.2512 0.2604 0.2887 -0.0030 0.0373 0.0115 77 PHE A CZ 600 N N . THR A 78 ? 0.3030 0.2525 0.2950 -0.0255 0.0224 0.0291 78 THR A N 601 C CA . THR A 78 ? 0.3252 0.2539 0.3189 -0.0198 0.0136 0.0283 78 THR A CA 602 C C . THR A 78 ? 0.3410 0.2551 0.3284 -0.0261 0.0133 0.0263 78 THR A C 603 O O . THR A 78 ? 0.3398 0.2480 0.3363 -0.0192 0.0117 0.0189 78 THR A O 604 C CB . THR A 78 ? 0.3592 0.2681 0.3419 -0.0198 0.0023 0.0364 78 THR A CB 605 O OG1 . THR A 78 ? 0.3208 0.2441 0.3111 -0.0137 0.0020 0.0364 78 THR A OG1 606 C CG2 . THR A 78 ? 0.3434 0.2267 0.3300 -0.0116 -0.0105 0.0356 78 THR A CG2 607 N N . ARG A 79 ? 0.3493 0.2601 0.3219 -0.0404 0.0159 0.0311 79 ARG A N 608 C CA . ARG A 79 ? 0.3730 0.2701 0.3380 -0.0498 0.0155 0.0296 79 ARG A CA 609 C C . ARG A 79 ? 0.3536 0.2726 0.3303 -0.0495 0.0234 0.0211 79 ARG A C 610 O O . ARG A 79 ? 0.3576 0.2658 0.3332 -0.0514 0.0220 0.0158 79 ARG A O 611 C CB . ARG A 79 ? 0.3802 0.2703 0.3255 -0.0684 0.0168 0.0375 79 ARG A CB 612 C CG . ARG A 79 ? 0.4653 0.3284 0.3962 -0.0810 0.0120 0.0393 79 ARG A CG 613 C CD . ARG A 79 ? 0.5098 0.3958 0.4418 -0.0963 0.0221 0.0363 79 ARG A CD 614 N NE . ARG A 79 ? 0.5015 0.3838 0.4148 -0.1157 0.0248 0.0440 79 ARG A NE 615 C CZ . ARG A 79 ? 0.4883 0.3968 0.4033 -0.1312 0.0351 0.0421 79 ARG A CZ 616 N NH1 . ARG A 79 ? 0.4045 0.3467 0.3410 -0.1283 0.0420 0.0334 79 ARG A NH1 617 N NH2 . ARG A 79 ? 0.4253 0.3269 0.3196 -0.1505 0.0380 0.0490 79 ARG A NH2 618 N N . ASP A 80 ? 0.3234 0.2707 0.3098 -0.0469 0.0303 0.0196 80 ASP A N 619 C CA . ASP A 80 ? 0.3186 0.2842 0.3136 -0.0465 0.0347 0.0132 80 ASP A CA 620 C C . ASP A 80 ? 0.3104 0.2717 0.3113 -0.0366 0.0339 0.0059 80 ASP A C 621 O O . ASP A 80 ? 0.3121 0.2710 0.3110 -0.0399 0.0346 -0.0001 80 ASP A O 622 C CB . ASP A 80 ? 0.2877 0.2802 0.2910 -0.0455 0.0394 0.0139 80 ASP A CB 623 C CG . ASP A 80 ? 0.3552 0.3604 0.3574 -0.0574 0.0428 0.0158 80 ASP A CG 624 O OD1 . ASP A 80 ? 0.3196 0.3124 0.3107 -0.0700 0.0425 0.0184 80 ASP A OD1 625 O OD2 . ASP A 80 ? 0.3751 0.4034 0.3883 -0.0544 0.0457 0.0140 80 ASP A OD2 626 N N . ILE A 81 ? 0.2999 0.2611 0.3079 -0.0259 0.0330 0.0055 81 ILE A N 627 C CA . ILE A 81 ? 0.2843 0.2442 0.3001 -0.0176 0.0341 -0.0033 81 ILE A CA 628 C C . ILE A 81 ? 0.3132 0.2497 0.3257 -0.0173 0.0299 -0.0094 81 ILE A C 629 O O . ILE A 81 ? 0.3216 0.2583 0.3341 -0.0175 0.0333 -0.0192 81 ILE A O 630 C CB . ILE A 81 ? 0.2806 0.2456 0.3080 -0.0072 0.0330 -0.0036 81 ILE A CB 631 C CG1 . ILE A 81 ? 0.2352 0.2200 0.2646 -0.0079 0.0369 0.0009 81 ILE A CG1 632 C CG2 . ILE A 81 ? 0.2963 0.2637 0.3353 0.0006 0.0358 -0.0161 81 ILE A CG2 633 C CD1 . ILE A 81 ? 0.2013 0.2010 0.2269 -0.0134 0.0426 -0.0008 81 ILE A CD1 634 N N . GLN A 82 ? 0.3270 0.2402 0.3339 -0.0176 0.0216 -0.0037 82 GLN A N 635 C CA . GLN A 82 ? 0.3502 0.2343 0.3531 -0.0163 0.0149 -0.0088 82 GLN A CA 636 C C . GLN A 82 ? 0.3648 0.2434 0.3563 -0.0286 0.0178 -0.0126 82 GLN A C 637 O O . GLN A 82 ? 0.3905 0.2539 0.3821 -0.0259 0.0166 -0.0233 82 GLN A O 638 C CB . GLN A 82 ? 0.3808 0.2364 0.3735 -0.0179 0.0031 0.0015 82 GLN A CB 639 C CG . GLN A 82 ? 0.4014 0.2553 0.4057 -0.0043 -0.0042 0.0034 82 GLN A CG 640 C CD . GLN A 82 ? 0.4626 0.2939 0.4503 -0.0103 -0.0155 0.0177 82 GLN A CD 641 O OE1 . GLN A 82 ? 0.4911 0.3148 0.4582 -0.0267 -0.0140 0.0265 82 GLN A OE1 642 N NE2 . GLN A 82 ? 0.4571 0.2782 0.4530 0.0017 -0.0273 0.0198 82 GLN A NE2 643 N N . GLU A 83 ? 0.3455 0.2372 0.3288 -0.0420 0.0212 -0.0053 83 GLU A N 644 C CA . GLU A 83 ? 0.3626 0.2555 0.3380 -0.0548 0.0234 -0.0091 83 GLU A CA 645 C C . GLU A 83 ? 0.3438 0.2566 0.3247 -0.0517 0.0293 -0.0188 83 GLU A C 646 O O . GLU A 83 ? 0.3643 0.2679 0.3387 -0.0568 0.0290 -0.0274 83 GLU A O 647 C CB . GLU A 83 ? 0.3467 0.2520 0.3160 -0.0705 0.0250 -0.0004 83 GLU A CB 648 C CG . GLU A 83 ? 0.3911 0.2711 0.3466 -0.0798 0.0197 0.0089 83 GLU A CG 649 C CD . GLU A 83 ? 0.4433 0.2855 0.3854 -0.0865 0.0121 0.0067 83 GLU A CD 650 O OE1 . GLU A 83 ? 0.4956 0.3068 0.4288 -0.0835 0.0035 0.0122 83 GLU A OE1 651 O OE2 . GLU A 83 ? 0.4589 0.2997 0.3979 -0.0952 0.0130 0.0000 83 GLU A OE2 652 N N . LEU A 84 ? 0.3196 0.2566 0.3092 -0.0449 0.0338 -0.0174 84 LEU A N 653 C CA . LEU A 84 ? 0.3251 0.2782 0.3152 -0.0438 0.0387 -0.0249 84 LEU A CA 654 C C . LEU A 84 ? 0.3470 0.2884 0.3376 -0.0373 0.0413 -0.0383 84 LEU A C 655 O O . LEU A 84 ? 0.3754 0.3200 0.3579 -0.0424 0.0446 -0.0473 84 LEU A O 656 C CB . LEU A 84 ? 0.3114 0.2870 0.3084 -0.0384 0.0419 -0.0197 84 LEU A CB 657 C CG . LEU A 84 ? 0.3037 0.2957 0.3017 -0.0441 0.0400 -0.0109 84 LEU A CG 658 C CD1 . LEU A 84 ? 0.2754 0.2821 0.2798 -0.0373 0.0415 -0.0058 84 LEU A CD1 659 C CD2 . LEU A 84 ? 0.3285 0.3285 0.3197 -0.0541 0.0377 -0.0136 84 LEU A CD2 660 N N . VAL A 85 ? 0.3469 0.2752 0.3471 -0.0261 0.0394 -0.0409 85 VAL A N 661 C CA . VAL A 85 ? 0.3598 0.2781 0.3659 -0.0175 0.0419 -0.0568 85 VAL A CA 662 C C . VAL A 85 ? 0.3955 0.2876 0.3905 -0.0232 0.0381 -0.0648 85 VAL A C 663 O O . VAL A 85 ? 0.4062 0.2967 0.3988 -0.0224 0.0434 -0.0804 85 VAL A O 664 C CB . VAL A 85 ? 0.3613 0.2733 0.3851 -0.0023 0.0379 -0.0581 85 VAL A CB 665 C CG1 . VAL A 85 ? 0.4083 0.3074 0.4428 0.0086 0.0386 -0.0767 85 VAL A CG1 666 C CG2 . VAL A 85 ? 0.3218 0.2618 0.3571 0.0021 0.0433 -0.0544 85 VAL A CG2 667 N N . LYS A 86 ? 0.4072 0.2782 0.3933 -0.0308 0.0296 -0.0549 86 LYS A N 668 C CA . LYS A 86 ? 0.4375 0.2792 0.4111 -0.0385 0.0246 -0.0612 86 LYS A CA 669 C C . LYS A 86 ? 0.4497 0.3057 0.4116 -0.0521 0.0297 -0.0664 86 LYS A C 670 O O . LYS A 86 ? 0.4657 0.3057 0.4186 -0.0561 0.0297 -0.0791 86 LYS A O 671 C CB . LYS A 86 ? 0.4455 0.2639 0.4083 -0.0492 0.0152 -0.0472 86 LYS A CB 672 C CG . LYS A 86 ? 0.4392 0.2348 0.4065 -0.0391 0.0062 -0.0403 86 LYS A CG 673 C CD . LYS A 86 ? 0.4509 0.2262 0.4012 -0.0546 -0.0011 -0.0249 86 LYS A CD 674 C CE . LYS A 86 ? 0.4622 0.2215 0.4137 -0.0462 -0.0103 -0.0141 86 LYS A CE 675 N NZ . LYS A 86 ? 0.5096 0.2399 0.4379 -0.0641 -0.0186 0.0001 86 LYS A NZ 676 N N . MET A 87 ? 0.4377 0.3224 0.3995 -0.0589 0.0326 -0.0567 87 MET A N 677 C CA . MET A 87 ? 0.4716 0.3726 0.4235 -0.0709 0.0345 -0.0596 87 MET A CA 678 C C . MET A 87 ? 0.5012 0.4105 0.4481 -0.0675 0.0415 -0.0736 87 MET A C 679 O O . MET A 87 ? 0.5118 0.4212 0.4445 -0.0782 0.0414 -0.0810 87 MET A O 680 C CB . MET A 87 ? 0.4398 0.3695 0.3972 -0.0741 0.0344 -0.0466 87 MET A CB 681 C CG . MET A 87 ? 0.4758 0.4213 0.4262 -0.0872 0.0314 -0.0458 87 MET A CG 682 S SD . MET A 87 ? 0.5217 0.4989 0.4847 -0.0875 0.0291 -0.0319 87 MET A SD 683 C CE . MET A 87 ? 0.4307 0.4009 0.4005 -0.0931 0.0279 -0.0240 87 MET A CE 684 N N . MET A 88 ? 0.5096 0.4281 0.4671 -0.0546 0.0479 -0.0774 88 MET A N 685 C CA . MET A 88 ? 0.5434 0.4746 0.4952 -0.0540 0.0572 -0.0907 88 MET A CA 686 C C . MET A 88 ? 0.5894 0.5024 0.5437 -0.0467 0.0617 -0.1108 88 MET A C 687 O O . MET A 88 ? 0.6084 0.5296 0.5553 -0.0484 0.0712 -0.1261 88 MET A O 688 C CB . MET A 88 ? 0.5077 0.4617 0.4703 -0.0465 0.0632 -0.0855 88 MET A CB 689 C CG . MET A 88 ? 0.5262 0.4965 0.4860 -0.0523 0.0586 -0.0679 88 MET A CG 690 S SD . MET A 88 ? 0.6118 0.5897 0.5482 -0.0686 0.0554 -0.0674 88 MET A SD 691 C CE . MET A 88 ? 0.5640 0.5346 0.5011 -0.0765 0.0442 -0.0592 88 MET A CE 692 N N . SER A 89 ? 0.6207 0.5083 0.5850 -0.0385 0.0547 -0.1109 89 SER A N 693 C CA . SER A 89 ? 0.6701 0.5353 0.6417 -0.0275 0.0557 -0.1299 89 SER A CA 694 C C . SER A 89 ? 0.7076 0.5632 0.6609 -0.0368 0.0604 -0.1482 89 SER A C 695 O O . SER A 89 ? 0.7143 0.5643 0.6480 -0.0531 0.0558 -0.1425 89 SER A O 696 C CB . SER A 89 ? 0.6858 0.5169 0.6624 -0.0224 0.0423 -0.1223 89 SER A CB 697 O OG . SER A 89 ? 0.7603 0.5685 0.7492 -0.0072 0.0404 -0.1397 89 SER A OG 698 N N . PRO A 90 ? 0.7362 0.5923 0.6967 -0.0270 0.0700 -0.1717 90 PRO A N 699 C CA . PRO A 90 ? 0.7357 0.6061 0.7240 -0.0081 0.0768 -0.1819 90 PRO A CA 700 C C . PRO A 90 ? 0.7173 0.6287 0.7078 -0.0111 0.0917 -0.1844 90 PRO A C 701 O O . PRO A 90 ? 0.7197 0.6477 0.7322 0.0012 0.1010 -0.1994 90 PRO A O 702 C CB . PRO A 90 ? 0.7724 0.6215 0.7675 0.0025 0.0799 -0.2099 90 PRO A CB 703 C CG . PRO A 90 ? 0.7976 0.6369 0.7613 -0.0156 0.0834 -0.2188 90 PRO A CG 704 C CD . PRO A 90 ? 0.7769 0.6155 0.7201 -0.0338 0.0737 -0.1928 90 PRO A CD 705 N N . LYS A 91 ? 0.7090 0.6363 0.6779 -0.0278 0.0930 -0.1702 91 LYS A N 706 C CA . LYS A 91 ? 0.7006 0.6608 0.6642 -0.0347 0.1053 -0.1701 91 LYS A CA 707 C C . LYS A 91 ? 0.6653 0.6449 0.6566 -0.0221 0.1077 -0.1641 91 LYS A C 708 O O . LYS A 91 ? 0.6545 0.6575 0.6559 -0.0199 0.1213 -0.1777 91 LYS A O 709 C CB . LYS A 91 ? 0.7026 0.6691 0.6388 -0.0529 0.1002 -0.1520 91 LYS A CB 710 C CG . LYS A 91 ? 0.7313 0.7249 0.6580 -0.0616 0.1072 -0.1435 91 LYS A CG 711 C CD . LYS A 91 ? 0.7807 0.7827 0.6783 -0.0773 0.1182 -0.1571 91 LYS A CD 712 C CE . LYS A 91 ? 0.7836 0.8110 0.6774 -0.0834 0.1301 -0.1560 91 LYS A CE 713 N NZ . LYS A 91 ? 0.8622 0.8972 0.7248 -0.1004 0.1432 -0.1720 91 LYS A NZ 714 N N . GLU A 92 ? 0.6300 0.6014 0.6328 -0.0158 0.0953 -0.1449 92 GLU A N 715 C CA . GLU A 92 ? 0.6078 0.5942 0.6359 -0.0043 0.0949 -0.1388 92 GLU A CA 716 C C . GLU A 92 ? 0.6074 0.5728 0.6582 0.0128 0.0840 -0.1405 92 GLU A C 717 O O . GLU A 92 ? 0.6284 0.5650 0.6704 0.0119 0.0721 -0.1323 92 GLU A O 718 C CB . GLU A 92 ? 0.5888 0.5833 0.6097 -0.0112 0.0888 -0.1146 92 GLU A CB 719 C CG . GLU A 92 ? 0.6194 0.6314 0.6181 -0.0270 0.0955 -0.1091 92 GLU A CG 720 C CD . GLU A 92 ? 0.6515 0.6850 0.6502 -0.0307 0.1115 -0.1258 92 GLU A CD 721 O OE1 . GLU A 92 ? 0.6205 0.6716 0.6409 -0.0236 0.1170 -0.1291 92 GLU A OE1 722 O OE2 . GLU A 92 ? 0.6955 0.7293 0.6721 -0.0421 0.1186 -0.1363 92 GLU A OE2 723 N N . ASP A 93 ? 0.5810 0.5594 0.6607 0.0274 0.0865 -0.1505 93 ASP A N 724 C CA . ASP A 93 ? 0.5743 0.5301 0.6730 0.0433 0.0712 -0.1465 93 ASP A CA 725 C C . ASP A 93 ? 0.5156 0.4900 0.6393 0.0533 0.0671 -0.1392 93 ASP A C 726 O O . ASP A 93 ? 0.4921 0.4986 0.6212 0.0482 0.0779 -0.1396 93 ASP A O 727 C CB . ASP A 93 ? 0.6245 0.5571 0.7354 0.0568 0.0680 -0.1680 93 ASP A CB 728 C CG . ASP A 93 ? 0.6931 0.5824 0.8032 0.0648 0.0468 -0.1564 93 ASP A CG 729 O OD1 . ASP A 93 ? 0.7236 0.6014 0.8597 0.0841 0.0371 -0.1653 93 ASP A OD1 730 O OD2 . ASP A 93 ? 0.7296 0.5976 0.8136 0.0512 0.0391 -0.1380 93 ASP A OD2 731 N N . TYR A 94 ? 0.4827 0.4345 0.6175 0.0650 0.0503 -0.1308 94 TYR A N 732 C CA . TYR A 94 ? 0.4456 0.4112 0.6044 0.0755 0.0427 -0.1244 94 TYR A CA 733 C C . TYR A 94 ? 0.4347 0.4292 0.6303 0.0897 0.0504 -0.1472 94 TYR A C 734 O O . TYR A 94 ? 0.4545 0.4457 0.6592 0.0969 0.0563 -0.1685 94 TYR A O 735 C CB . TYR A 94 ? 0.4562 0.3843 0.6140 0.0842 0.0209 -0.1122 94 TYR A CB 736 C CG . TYR A 94 ? 0.4311 0.3361 0.5548 0.0682 0.0152 -0.0906 94 TYR A CG 737 C CD1 . TYR A 94 ? 0.4164 0.2846 0.5201 0.0632 0.0080 -0.0884 94 TYR A CD1 738 C CD2 . TYR A 94 ? 0.3843 0.3056 0.4968 0.0574 0.0178 -0.0739 94 TYR A CD2 739 C CE1 . TYR A 94 ? 0.4116 0.2639 0.4864 0.0465 0.0043 -0.0697 94 TYR A CE1 740 C CE2 . TYR A 94 ? 0.4043 0.3096 0.4896 0.0433 0.0140 -0.0566 94 TYR A CE2 741 C CZ . TYR A 94 ? 0.4212 0.2943 0.4887 0.0374 0.0079 -0.0546 94 TYR A CZ 742 O OH . TYR A 94 ? 0.4323 0.2967 0.4762 0.0218 0.0062 -0.0388 94 TYR A OH 743 N N . PRO A 95 ? 0.4009 0.4240 0.6196 0.0941 0.0501 -0.1447 95 PRO A N 744 C CA . PRO A 95 ? 0.3738 0.4023 0.5858 0.0876 0.0427 -0.1228 95 PRO A CA 745 C C . PRO A 95 ? 0.3558 0.4006 0.5422 0.0675 0.0566 -0.1130 95 PRO A C 746 O O . PRO A 95 ? 0.3571 0.4257 0.5427 0.0596 0.0737 -0.1255 95 PRO A O 747 C CB . PRO A 95 ? 0.3571 0.4166 0.6085 0.0995 0.0408 -0.1321 95 PRO A CB 748 C CG . PRO A 95 ? 0.3751 0.4579 0.6535 0.1081 0.0546 -0.1608 95 PRO A CG 749 C CD . PRO A 95 ? 0.4033 0.4539 0.6643 0.1103 0.0546 -0.1686 95 PRO A CD 750 N N . ILE A 96 ? 0.3250 0.3560 0.4894 0.0589 0.0489 -0.0916 96 ILE A N 751 C CA . ILE A 96 ? 0.3136 0.3564 0.4559 0.0424 0.0586 -0.0817 96 ILE A CA 752 C C . ILE A 96 ? 0.2956 0.3485 0.4409 0.0400 0.0536 -0.0681 96 ILE A C 753 O O . ILE A 96 ? 0.3019 0.3405 0.4506 0.0465 0.0398 -0.0588 96 ILE A O 754 C CB . ILE A 96 ? 0.3193 0.3385 0.4308 0.0325 0.0569 -0.0719 96 ILE A CB 755 C CG1 . ILE A 96 ? 0.3351 0.3503 0.4408 0.0307 0.0651 -0.0875 96 ILE A CG1 756 C CG2 . ILE A 96 ? 0.2865 0.3134 0.3782 0.0191 0.0602 -0.0575 96 ILE A CG2 757 C CD1 . ILE A 96 ? 0.3505 0.3449 0.4297 0.0207 0.0625 -0.0805 96 ILE A CD1 758 N N . GLU A 97 ? 0.2927 0.3675 0.4335 0.0293 0.0642 -0.0669 97 GLU A N 759 C CA . GLU A 97 ? 0.2808 0.3620 0.4187 0.0239 0.0604 -0.0538 97 GLU A CA 760 C C . GLU A 97 ? 0.2734 0.3493 0.3835 0.0106 0.0645 -0.0423 97 GLU A C 761 O O . GLU A 97 ? 0.2733 0.3580 0.3726 0.0012 0.0749 -0.0466 97 GLU A O 762 C CB . GLU A 97 ? 0.2832 0.3940 0.4436 0.0229 0.0668 -0.0623 97 GLU A CB 763 C CG . GLU A 97 ? 0.3235 0.4382 0.4791 0.0158 0.0622 -0.0493 97 GLU A CG 764 C CD . GLU A 97 ? 0.3735 0.4771 0.5386 0.0257 0.0460 -0.0420 97 GLU A CD 765 O OE1 . GLU A 97 ? 0.3766 0.4775 0.5616 0.0391 0.0374 -0.0488 97 GLU A OE1 766 O OE2 . GLU A 97 ? 0.3660 0.4616 0.5168 0.0199 0.0411 -0.0298 97 GLU A OE2 767 N N . ILE A 98 ? 0.2703 0.3307 0.3681 0.0099 0.0557 -0.0286 98 ILE A N 768 C CA . ILE A 98 ? 0.2677 0.3235 0.3447 0.0006 0.0568 -0.0181 98 ILE A CA 769 C C . ILE A 98 ? 0.2578 0.3183 0.3372 -0.0012 0.0535 -0.0110 98 ILE A C 770 O O . ILE A 98 ? 0.2560 0.3135 0.3444 0.0045 0.0461 -0.0089 98 ILE A O 771 C CB . ILE A 98 ? 0.2826 0.3203 0.3459 0.0009 0.0506 -0.0101 98 ILE A CB 772 C CG1 . ILE A 98 ? 0.2964 0.3239 0.3570 0.0026 0.0507 -0.0160 98 ILE A CG1 773 C CG2 . ILE A 98 ? 0.2489 0.2859 0.2970 -0.0060 0.0511 -0.0020 98 ILE A CG2 774 C CD1 . ILE A 98 ? 0.3130 0.3458 0.3647 -0.0037 0.0581 -0.0221 98 ILE A CD1 775 N N . GLN A 99 ? 0.2572 0.3222 0.3263 -0.0102 0.0575 -0.0070 99 GLN A N 776 C CA . GLN A 99 ? 0.2396 0.3027 0.3065 -0.0130 0.0533 0.0001 99 GLN A CA 777 C C . GLN A 99 ? 0.2487 0.2996 0.2971 -0.0170 0.0511 0.0084 99 GLN A C 778 O O . GLN A 99 ? 0.2551 0.3046 0.2923 -0.0220 0.0541 0.0090 99 GLN A O 779 C CB . GLN A 99 ? 0.2362 0.3150 0.3108 -0.0207 0.0587 -0.0036 99 GLN A CB 780 C CG . GLN A 99 ? 0.1958 0.2929 0.2959 -0.0154 0.0601 -0.0138 99 GLN A CG 781 C CD . GLN A 99 ? 0.2227 0.3419 0.3307 -0.0259 0.0706 -0.0214 99 GLN A CD 782 O OE1 . GLN A 99 ? 0.2853 0.4160 0.3957 -0.0283 0.0805 -0.0309 99 GLN A OE1 783 N NE2 . GLN A 99 ? 0.2171 0.3426 0.3274 -0.0340 0.0696 -0.0181 99 GLN A NE2 784 N N . LEU A 100 ? 0.2485 0.2906 0.2939 -0.0145 0.0452 0.0139 100 LEU A N 785 C CA . LEU A 100 ? 0.2694 0.3011 0.3026 -0.0158 0.0421 0.0196 100 LEU A CA 786 C C . LEU A 100 ? 0.2694 0.2959 0.3001 -0.0192 0.0392 0.0224 100 LEU A C 787 O O . LEU A 100 ? 0.2659 0.2942 0.3032 -0.0178 0.0372 0.0210 100 LEU A O 788 C CB . LEU A 100 ? 0.2664 0.2924 0.2986 -0.0095 0.0389 0.0207 100 LEU A CB 789 C CG . LEU A 100 ? 0.3278 0.3547 0.3573 -0.0086 0.0398 0.0203 100 LEU A CG 790 C CD1 . LEU A 100 ? 0.3137 0.3437 0.3476 -0.0082 0.0425 0.0161 100 LEU A CD1 791 C CD2 . LEU A 100 ? 0.3471 0.3721 0.3761 -0.0053 0.0377 0.0211 100 LEU A CD2 792 N N . SER A 101 ? 0.2790 0.2965 0.2984 -0.0243 0.0373 0.0268 101 SER A N 793 C CA . SER A 101 ? 0.2970 0.3023 0.3106 -0.0274 0.0326 0.0300 101 SER A CA 794 C C . SER A 101 ? 0.3100 0.3001 0.3162 -0.0213 0.0260 0.0331 101 SER A C 795 O O . SER A 101 ? 0.3209 0.3052 0.3186 -0.0231 0.0230 0.0372 101 SER A O 796 C CB . SER A 101 ? 0.3089 0.3133 0.3144 -0.0404 0.0348 0.0328 101 SER A CB 797 O OG . SER A 101 ? 0.3503 0.3386 0.3482 -0.0449 0.0291 0.0364 101 SER A OG 798 N N . ALA A 102 ? 0.2937 0.2783 0.3033 -0.0143 0.0233 0.0302 102 ALA A N 799 C CA . ALA A 102 ? 0.3017 0.2766 0.3108 -0.0058 0.0181 0.0292 102 ALA A CA 800 C C . ALA A 102 ? 0.3196 0.2790 0.3254 -0.0040 0.0139 0.0266 102 ALA A C 801 O O . ALA A 102 ? 0.3251 0.2861 0.3307 -0.0076 0.0161 0.0241 102 ALA A O 802 C CB . ALA A 102 ? 0.2612 0.2493 0.2793 0.0014 0.0219 0.0243 102 ALA A CB 803 N N . GLY A 103 ? 0.3252 0.2692 0.3293 0.0023 0.0066 0.0264 103 GLY A N 804 C CA . GLY A 103 ? 0.3492 0.2747 0.3497 0.0051 0.0020 0.0221 103 GLY A CA 805 C C . GLY A 103 ? 0.3845 0.2861 0.3800 0.0095 -0.0095 0.0256 103 GLY A C 806 O O . GLY A 103 ? 0.3914 0.2947 0.3904 0.0147 -0.0145 0.0290 103 GLY A O 807 N N . CYS A 104 ? 0.4063 0.2831 0.3931 0.0075 -0.0157 0.0248 104 CYS A N 808 C CA . CYS A 104 ? 0.4631 0.3107 0.4441 0.0129 -0.0296 0.0284 104 CYS A CA 809 C C . CYS A 104 ? 0.4967 0.3137 0.4599 0.0012 -0.0360 0.0331 104 CYS A C 810 O O . CYS A 104 ? 0.4795 0.2982 0.4404 -0.0056 -0.0303 0.0282 104 CYS A O 811 C CB . CYS A 104 ? 0.4708 0.3167 0.4681 0.0326 -0.0334 0.0160 104 CYS A CB 812 S SG . CYS A 104 ? 0.5392 0.3921 0.5426 0.0373 -0.0230 -0.0010 104 CYS A SG 813 N N . GLU A 105 ? 0.5446 0.3325 0.4936 -0.0025 -0.0491 0.0434 105 GLU A N 814 C CA . GLU A 105 ? 0.6038 0.3550 0.5338 -0.0136 -0.0579 0.0480 105 GLU A CA 815 C C . GLU A 105 ? 0.6387 0.3576 0.5724 0.0035 -0.0716 0.0406 105 GLU A C 816 O O . GLU A 105 ? 0.6537 0.3646 0.5950 0.0184 -0.0825 0.0413 105 GLU A O 817 C CB . GLU A 105 ? 0.6302 0.3648 0.5362 -0.0336 -0.0636 0.0648 105 GLU A CB 818 C CG . GLU A 105 ? 0.7204 0.4216 0.6048 -0.0522 -0.0691 0.0701 105 GLU A CG 819 C CD . GLU A 105 ? 0.7831 0.4750 0.6416 -0.0785 -0.0697 0.0859 105 GLU A CD 820 O OE1 . GLU A 105 ? 0.7592 0.4723 0.6158 -0.0827 -0.0644 0.0918 105 GLU A OE1 821 O OE2 . GLU A 105 ? 0.8535 0.5162 0.6921 -0.0967 -0.0749 0.0918 105 GLU A OE2 822 N N . MET A 106 ? 0.6744 0.3764 0.6047 0.0021 -0.0714 0.0319 106 MET A N 823 C CA . MET A 106 ? 0.7240 0.3936 0.6580 0.0186 -0.0830 0.0211 106 MET A CA 824 C C . MET A 106 ? 0.7832 0.3996 0.6929 0.0085 -0.1007 0.0317 106 MET A C 825 O O . MET A 106 ? 0.7941 0.3976 0.6839 -0.0137 -0.0991 0.0390 106 MET A O 826 C CB . MET A 106 ? 0.7168 0.3972 0.6584 0.0224 -0.0721 0.0033 106 MET A CB 827 C CG . MET A 106 ? 0.7005 0.4305 0.6595 0.0268 -0.0547 -0.0043 106 MET A CG 828 S SD . MET A 106 ? 0.7641 0.5162 0.7513 0.0532 -0.0535 -0.0165 106 MET A SD 829 C CE . MET A 106 ? 0.7453 0.4630 0.7379 0.0710 -0.0628 -0.0351 106 MET A CE 830 N N . TYR A 107 ? 0.8393 0.4245 0.7515 0.0251 -0.1186 0.0321 107 TYR A N 831 C CA . TYR A 107 ? 0.9149 0.4419 0.8017 0.0173 -0.1397 0.0442 107 TYR A CA 832 C C . TYR A 107 ? 0.9656 0.4561 0.8594 0.0356 -0.1507 0.0280 107 TYR A C 833 O O . TYR A 107 ? 0.9403 0.4559 0.8610 0.0563 -0.1416 0.0073 107 TYR A O 834 C CB . TYR A 107 ? 0.9343 0.4473 0.8140 0.0208 -0.1565 0.0606 107 TYR A CB 835 C CG . TYR A 107 ? 0.9152 0.4598 0.7832 0.0002 -0.1453 0.0756 107 TYR A CG 836 C CD1 . TYR A 107 ? 0.9347 0.4667 0.7718 -0.0308 -0.1419 0.0903 107 TYR A CD1 837 C CD2 . TYR A 107 ? 0.8692 0.4575 0.7577 0.0111 -0.1373 0.0732 107 TYR A CD2 838 C CE1 . TYR A 107 ? 0.9243 0.4875 0.7525 -0.0488 -0.1300 0.1006 107 TYR A CE1 839 C CE2 . TYR A 107 ? 0.8611 0.4767 0.7389 -0.0068 -0.1268 0.0844 107 TYR A CE2 840 C CZ . TYR A 107 ? 0.8872 0.4908 0.7355 -0.0358 -0.1227 0.0972 107 TYR A CZ 841 O OH . TYR A 107 ? 0.8822 0.5149 0.7215 -0.0527 -0.1108 0.1054 107 TYR A OH 842 N N . PRO A 108 ? 1.0357 0.4662 0.9038 0.0267 -0.1695 0.0365 108 PRO A N 843 C CA . PRO A 108 ? 1.0851 0.4748 0.9585 0.0446 -0.1814 0.0199 108 PRO A CA 844 C C . PRO A 108 ? 1.1001 0.4892 1.0039 0.0800 -0.1937 0.0078 108 PRO A C 845 O O . PRO A 108 ? 1.1143 0.4932 1.0188 0.0873 -0.2104 0.0216 108 PRO A O 846 C CB . PRO A 108 ? 1.1521 0.4741 0.9879 0.0249 -0.2024 0.0372 108 PRO A CB 847 C CG . PRO A 108 ? 1.1527 0.4773 0.9680 0.0058 -0.2073 0.0634 108 PRO A CG 848 C CD . PRO A 108 ? 1.0745 0.4703 0.9056 -0.0016 -0.1803 0.0611 108 PRO A CD 849 N N . GLY A 109 ? 1.0960 0.4987 1.0250 0.1007 -0.1849 -0.0189 109 GLY A N 850 C CA . GLY A 109 ? 1.1008 0.5108 1.0656 0.1354 -0.1924 -0.0371 109 GLY A CA 851 C C . GLY A 109 ? 1.0350 0.5168 1.0304 0.1440 -0.1690 -0.0493 109 GLY A C 852 O O . GLY A 109 ? 0.9962 0.5136 0.9906 0.1327 -0.1453 -0.0582 109 GLY A O 853 N N . ASN A 110 ? 1.0194 0.5203 1.0407 0.1632 -0.1777 -0.0485 110 ASN A N 854 C CA . ASN A 110 ? 0.9564 0.5222 1.0100 0.1736 -0.1590 -0.0607 110 ASN A CA 855 C C . ASN A 110 ? 0.8950 0.4909 0.9390 0.1561 -0.1541 -0.0383 110 ASN A C 856 O O . ASN A 110 ? 0.8630 0.5087 0.9318 0.1632 -0.1425 -0.0443 110 ASN A O 857 C CB . ASN A 110 ? 0.9844 0.5554 1.0789 0.2078 -0.1729 -0.0776 110 ASN A CB 858 C CG . ASN A 110 ? 1.0670 0.5773 1.1532 0.2186 -0.2086 -0.0636 110 ASN A CG 859 O OD1 . ASN A 110 ? 1.1050 0.5734 1.1517 0.1969 -0.2213 -0.0384 110 ASN A OD1 860 N ND2 . ASN A 110 ? 1.0978 0.6034 1.2213 0.2515 -0.2251 -0.0805 110 ASN A ND2 861 N N . ALA A 111 ? 0.8755 0.4415 0.8834 0.1324 -0.1624 -0.0138 111 ALA A N 862 C CA . ALA A 111 ? 0.8216 0.4063 0.8185 0.1181 -0.1633 0.0075 111 ALA A CA 863 C C . ALA A 111 ? 0.7549 0.3771 0.7396 0.0942 -0.1387 0.0130 111 ALA A C 864 O O . ALA A 111 ? 0.7453 0.3620 0.7155 0.0799 -0.1276 0.0101 111 ALA A O 865 C CB . ALA A 111 ? 0.8687 0.3997 0.8336 0.1068 -0.1888 0.0314 111 ALA A CB 866 N N . SER A 112 ? 0.6913 0.3510 0.6833 0.0909 -0.1319 0.0202 112 SER A N 867 C CA . SER A 112 ? 0.6287 0.3211 0.6098 0.0698 -0.1122 0.0271 112 SER A CA 868 C C . SER A 112 ? 0.5967 0.3107 0.5765 0.0647 -0.1138 0.0401 112 SER A C 869 O O . SER A 112 ? 0.5871 0.3005 0.5801 0.0794 -0.1280 0.0410 112 SER A O 870 C CB . SER A 112 ? 0.5891 0.3212 0.5897 0.0745 -0.0903 0.0092 112 SER A CB 871 O OG . SER A 112 ? 0.5818 0.3448 0.6130 0.0939 -0.0877 -0.0030 112 SER A OG 872 N N . GLU A 113 ? 0.5589 0.2915 0.5235 0.0439 -0.1000 0.0488 113 GLU A N 873 C CA . GLU A 113 ? 0.5392 0.2995 0.5040 0.0382 -0.0958 0.0564 113 GLU A CA 874 C C . GLU A 113 ? 0.4754 0.2774 0.4500 0.0315 -0.0725 0.0492 113 GLU A C 875 O O . GLU A 113 ? 0.4701 0.2727 0.4357 0.0193 -0.0620 0.0484 113 GLU A O 876 C CB . GLU A 113 ? 0.5673 0.3056 0.4988 0.0165 -0.1027 0.0755 113 GLU A CB 877 C CG . GLU A 113 ? 0.7234 0.4184 0.6375 0.0189 -0.1284 0.0879 113 GLU A CG 878 C CD . GLU A 113 ? 0.8641 0.5455 0.7420 -0.0057 -0.1325 0.1071 113 GLU A CD 879 O OE1 . GLU A 113 ? 0.8583 0.5739 0.7351 -0.0163 -0.1171 0.1075 113 GLU A OE1 880 O OE2 . GLU A 113 ? 0.9223 0.5575 0.7716 -0.0149 -0.1510 0.1209 113 GLU A OE2 881 N N . SER A 114 ? 0.4189 0.2537 0.4107 0.0383 -0.0664 0.0449 114 SER A N 882 C CA . SER A 114 ? 0.3784 0.2468 0.3772 0.0322 -0.0474 0.0395 114 SER A CA 883 C C . SER A 114 ? 0.3661 0.2471 0.3530 0.0186 -0.0434 0.0493 114 SER A C 884 O O . SER A 114 ? 0.3818 0.2507 0.3573 0.0159 -0.0552 0.0588 114 SER A O 885 C CB . SER A 114 ? 0.3503 0.2467 0.3759 0.0471 -0.0405 0.0254 114 SER A CB 886 O OG . SER A 114 ? 0.3415 0.2270 0.3778 0.0598 -0.0432 0.0139 114 SER A OG 887 N N . PHE A 115 ? 0.3198 0.2234 0.3085 0.0106 -0.0280 0.0464 115 PHE A N 888 C CA . PHE A 115 ? 0.3192 0.2353 0.2984 -0.0010 -0.0225 0.0522 115 PHE A CA 889 C C . PHE A 115 ? 0.2910 0.2353 0.2838 -0.0001 -0.0082 0.0443 115 PHE A C 890 O O . PHE A 115 ? 0.2656 0.2157 0.2680 0.0043 -0.0022 0.0373 115 PHE A O 891 C CB . PHE A 115 ? 0.3313 0.2332 0.2889 -0.0186 -0.0210 0.0603 115 PHE A CB 892 C CG . PHE A 115 ? 0.3481 0.2505 0.3088 -0.0228 -0.0133 0.0557 115 PHE A CG 893 C CD1 . PHE A 115 ? 0.3526 0.2297 0.3076 -0.0222 -0.0211 0.0564 115 PHE A CD1 894 C CD2 . PHE A 115 ? 0.2957 0.2228 0.2661 -0.0265 -0.0001 0.0500 115 PHE A CD2 895 C CE1 . PHE A 115 ? 0.3706 0.2483 0.3279 -0.0269 -0.0155 0.0517 115 PHE A CE1 896 C CE2 . PHE A 115 ? 0.3278 0.2567 0.3025 -0.0299 0.0043 0.0459 115 PHE A CE2 897 C CZ . PHE A 115 ? 0.3921 0.2975 0.3598 -0.0310 -0.0029 0.0467 115 PHE A CZ 898 N N . LEU A 116 ? 0.2863 0.2450 0.2775 -0.0049 -0.0040 0.0457 116 LEU A N 899 C CA . LEU A 116 ? 0.2493 0.2292 0.2497 -0.0059 0.0078 0.0397 116 LEU A CA 900 C C . LEU A 116 ? 0.2559 0.2409 0.2450 -0.0169 0.0119 0.0427 116 LEU A C 901 O O . LEU A 116 ? 0.2569 0.2442 0.2411 -0.0181 0.0080 0.0447 116 LEU A O 902 C CB . LEU A 116 ? 0.2265 0.2205 0.2422 0.0036 0.0083 0.0339 116 LEU A CB 903 C CG . LEU A 116 ? 0.2250 0.2343 0.2489 0.0033 0.0186 0.0281 116 LEU A CG 904 C CD1 . LEU A 116 ? 0.1866 0.2096 0.2231 0.0090 0.0195 0.0228 116 LEU A CD1 905 C CD2 . LEU A 116 ? 0.2173 0.2319 0.2353 -0.0045 0.0239 0.0292 116 LEU A CD2 906 N N . HIS A 117 ? 0.2583 0.2454 0.2430 -0.0257 0.0193 0.0422 117 HIS A N 907 C CA . HIS A 117 ? 0.2669 0.2621 0.2427 -0.0365 0.0263 0.0415 117 HIS A CA 908 C C . HIS A 117 ? 0.2539 0.2668 0.2438 -0.0338 0.0363 0.0329 117 HIS A C 909 O O . HIS A 117 ? 0.2486 0.2658 0.2513 -0.0287 0.0384 0.0295 117 HIS A O 910 C CB . HIS A 117 ? 0.2883 0.2758 0.2506 -0.0498 0.0279 0.0458 117 HIS A CB 911 C CG . HIS A 117 ? 0.3407 0.3044 0.2838 -0.0543 0.0158 0.0560 117 HIS A CG 912 N ND1 . HIS A 117 ? 0.3961 0.3462 0.3204 -0.0694 0.0150 0.0625 117 HIS A ND1 913 C CD2 . HIS A 117 ? 0.3435 0.2935 0.2833 -0.0459 0.0028 0.0609 117 HIS A CD2 914 C CE1 . HIS A 117 ? 0.4666 0.3909 0.3742 -0.0699 0.0005 0.0723 117 HIS A CE1 915 N NE2 . HIS A 117 ? 0.4526 0.3775 0.3713 -0.0543 -0.0075 0.0710 117 HIS A NE2 916 N N . VAL A 118 ? 0.2520 0.2727 0.2382 -0.0372 0.0407 0.0292 118 VAL A N 917 C CA . VAL A 118 ? 0.2406 0.2733 0.2394 -0.0335 0.0481 0.0204 118 VAL A CA 918 C C . VAL A 118 ? 0.2625 0.3052 0.2575 -0.0423 0.0577 0.0137 118 VAL A C 919 O O . VAL A 118 ? 0.2861 0.3271 0.2637 -0.0516 0.0589 0.0147 118 VAL A O 920 C CB . VAL A 118 ? 0.2460 0.2787 0.2466 -0.0284 0.0455 0.0186 118 VAL A CB 921 C CG1 . VAL A 118 ? 0.2032 0.2419 0.2140 -0.0252 0.0515 0.0099 118 VAL A CG1 922 C CG2 . VAL A 118 ? 0.2027 0.2315 0.2108 -0.0202 0.0389 0.0224 118 VAL A CG2 923 N N . ALA A 119 ? 0.2510 0.3054 0.2624 -0.0399 0.0640 0.0062 119 ALA A N 924 C CA . ALA A 119 ? 0.2635 0.3327 0.2783 -0.0458 0.0748 -0.0043 119 ALA A CA 925 C C . ALA A 119 ? 0.2658 0.3399 0.2959 -0.0357 0.0774 -0.0150 119 ALA A C 926 O O . ALA A 119 ? 0.2568 0.3261 0.3006 -0.0248 0.0714 -0.0143 119 ALA A O 927 C CB . ALA A 119 ? 0.2630 0.3457 0.2878 -0.0518 0.0803 -0.0070 119 ALA A CB 928 N N . PHE A 120 ? 0.2787 0.3589 0.3029 -0.0405 0.0855 -0.0248 120 PHE A N 929 C CA . PHE A 120 ? 0.2788 0.3610 0.3164 -0.0316 0.0885 -0.0377 120 PHE A CA 930 C C . PHE A 120 ? 0.2868 0.3906 0.3391 -0.0334 0.1012 -0.0540 120 PHE A C 931 O O . PHE A 120 ? 0.2987 0.4133 0.3375 -0.0468 0.1114 -0.0580 120 PHE A O 932 C CB . PHE A 120 ? 0.2839 0.3543 0.3025 -0.0352 0.0870 -0.0381 120 PHE A CB 933 C CG . PHE A 120 ? 0.2835 0.3510 0.3110 -0.0283 0.0899 -0.0520 120 PHE A CG 934 C CD1 . PHE A 120 ? 0.2712 0.3241 0.3082 -0.0178 0.0812 -0.0500 120 PHE A CD1 935 C CD2 . PHE A 120 ? 0.2833 0.3601 0.3066 -0.0335 0.1013 -0.0675 120 PHE A CD2 936 C CE1 . PHE A 120 ? 0.3171 0.3612 0.3602 -0.0117 0.0819 -0.0623 120 PHE A CE1 937 C CE2 . PHE A 120 ? 0.3206 0.3912 0.3522 -0.0259 0.1034 -0.0824 120 PHE A CE2 938 C CZ . PHE A 120 ? 0.2845 0.3370 0.3262 -0.0146 0.0927 -0.0792 120 PHE A CZ 939 N N . GLN A 121 ? 0.2881 0.3994 0.3689 -0.0203 0.1001 -0.0630 121 GLN A N 940 C CA . GLN A 121 ? 0.2863 0.4236 0.3902 -0.0191 0.1114 -0.0804 121 GLN A CA 941 C C . GLN A 121 ? 0.2904 0.4474 0.3907 -0.0343 0.1198 -0.0778 121 GLN A C 942 O O . GLN A 121 ? 0.3099 0.4898 0.4135 -0.0437 0.1346 -0.0913 121 GLN A O 943 C CB . GLN A 121 ? 0.3129 0.4547 0.4131 -0.0203 0.1225 -0.0982 121 GLN A CB 944 C CG . GLN A 121 ? 0.2974 0.4143 0.3945 -0.0091 0.1138 -0.0997 121 GLN A CG 945 C CD . GLN A 121 ? 0.3381 0.4507 0.4673 0.0107 0.1044 -0.1062 121 GLN A CD 946 O OE1 . GLN A 121 ? 0.2897 0.4024 0.4325 0.0169 0.0946 -0.0964 121 GLN A OE1 947 N NE2 . GLN A 121 ? 0.2985 0.4053 0.4383 0.0203 0.1062 -0.1229 121 GLN A NE2 948 N N . GLY A 122 ? 0.2670 0.4146 0.3598 -0.0377 0.1108 -0.0613 122 GLY A N 949 C CA . GLY A 122 ? 0.2681 0.4295 0.3581 -0.0522 0.1160 -0.0573 122 GLY A CA 950 C C . GLY A 122 ? 0.2979 0.4519 0.3522 -0.0725 0.1218 -0.0495 122 GLY A C 951 O O . GLY A 122 ? 0.3063 0.4713 0.3549 -0.0882 0.1282 -0.0477 122 GLY A O 952 N N . LYS A 123 ? 0.3026 0.4376 0.3323 -0.0734 0.1185 -0.0448 123 LYS A N 953 C CA . LYS A 123 ? 0.3279 0.4514 0.3211 -0.0914 0.1197 -0.0356 123 LYS A CA 954 C C . LYS A 123 ? 0.3083 0.4041 0.2852 -0.0862 0.1034 -0.0187 123 LYS A C 955 O O . LYS A 123 ? 0.2871 0.3742 0.2696 -0.0736 0.0967 -0.0190 123 LYS A O 956 C CB . LYS A 123 ? 0.3637 0.4927 0.3391 -0.1003 0.1306 -0.0471 123 LYS A CB 957 C CG . LYS A 123 ? 0.4250 0.5847 0.4156 -0.1060 0.1501 -0.0686 123 LYS A CG 958 C CD . LYS A 123 ? 0.5147 0.6961 0.5126 -0.1204 0.1598 -0.0697 123 LYS A CD 959 C CE . LYS A 123 ? 0.5551 0.7742 0.5784 -0.1222 0.1800 -0.0955 123 LYS A CE 960 N NZ . LYS A 123 ? 0.5515 0.7707 0.5618 -0.1222 0.1892 -0.1105 123 LYS A NZ 961 N N . TYR A 124 ? 0.3191 0.4013 0.2750 -0.0975 0.0972 -0.0049 124 TYR A N 962 C CA . TYR A 124 ? 0.3228 0.3804 0.2652 -0.0926 0.0813 0.0099 124 TYR A CA 963 C C . TYR A 124 ? 0.3297 0.3779 0.2507 -0.0952 0.0770 0.0116 124 TYR A C 964 O O . TYR A 124 ? 0.3495 0.3956 0.2441 -0.1115 0.0808 0.0126 124 TYR A O 965 C CB . TYR A 124 ? 0.3507 0.3943 0.2743 -0.1058 0.0761 0.0225 124 TYR A CB 966 C CG . TYR A 124 ? 0.3738 0.3906 0.2817 -0.1019 0.0589 0.0369 124 TYR A CG 967 C CD1 . TYR A 124 ? 0.3181 0.3301 0.2430 -0.0833 0.0497 0.0379 124 TYR A CD1 968 C CD2 . TYR A 124 ? 0.4171 0.4131 0.2934 -0.1170 0.0512 0.0493 124 TYR A CD2 969 C CE1 . TYR A 124 ? 0.3797 0.3716 0.2958 -0.0778 0.0342 0.0484 124 TYR A CE1 970 C CE2 . TYR A 124 ? 0.4404 0.4109 0.3065 -0.1102 0.0325 0.0618 124 TYR A CE2 971 C CZ . TYR A 124 ? 0.4105 0.3818 0.2995 -0.0895 0.0248 0.0598 124 TYR A CZ 972 O OH . TYR A 124 ? 0.4294 0.3812 0.3150 -0.0806 0.0075 0.0687 124 TYR A OH 973 N N . VAL A 125 ? 0.3120 0.3549 0.2429 -0.0814 0.0691 0.0118 125 VAL A N 974 C CA . VAL A 125 ? 0.3188 0.3564 0.2335 -0.0841 0.0648 0.0115 125 VAL A CA 975 C C . VAL A 125 ? 0.3191 0.3437 0.2327 -0.0762 0.0484 0.0219 125 VAL A C 976 O O . VAL A 125 ? 0.3274 0.3464 0.2241 -0.0812 0.0410 0.0248 125 VAL A O 977 C CB . VAL A 125 ? 0.3140 0.3629 0.2423 -0.0780 0.0738 -0.0039 125 VAL A CB 978 C CG1 . VAL A 125 ? 0.3142 0.3778 0.2395 -0.0875 0.0901 -0.0176 125 VAL A CG1 979 C CG2 . VAL A 125 ? 0.2640 0.3150 0.2219 -0.0613 0.0718 -0.0064 125 VAL A CG2 980 N N . VAL A 126 ? 0.2877 0.3097 0.2203 -0.0642 0.0428 0.0261 126 VAL A N 981 C CA . VAL A 126 ? 0.2860 0.3031 0.2258 -0.0546 0.0306 0.0313 126 VAL A CA 982 C C . VAL A 126 ? 0.2948 0.3035 0.2431 -0.0471 0.0229 0.0386 126 VAL A C 983 O O . VAL A 126 ? 0.2972 0.3074 0.2548 -0.0449 0.0288 0.0368 126 VAL A O 984 C CB . VAL A 126 ? 0.2751 0.3019 0.2345 -0.0458 0.0349 0.0229 126 VAL A CB 985 C CG1 . VAL A 126 ? 0.2583 0.2856 0.2315 -0.0361 0.0258 0.0265 126 VAL A CG1 986 C CG2 . VAL A 126 ? 0.2863 0.3168 0.2356 -0.0526 0.0390 0.0152 126 VAL A CG2 987 N N . ARG A 127 ? 0.3040 0.3044 0.2508 -0.0422 0.0091 0.0455 127 ARG A N 988 C CA . ARG A 127 ? 0.3006 0.2933 0.2591 -0.0322 0.0021 0.0490 127 ARG A CA 989 C C . ARG A 127 ? 0.2932 0.2916 0.2673 -0.0210 -0.0074 0.0480 127 ARG A C 990 O O . ARG A 127 ? 0.2988 0.3026 0.2694 -0.0232 -0.0131 0.0483 127 ARG A O 991 C CB . ARG A 127 ? 0.3348 0.3059 0.2742 -0.0383 -0.0076 0.0590 127 ARG A CB 992 C CG . ARG A 127 ? 0.3554 0.3152 0.2782 -0.0415 -0.0230 0.0671 127 ARG A CG 993 C CD . ARG A 127 ? 0.4034 0.3365 0.3053 -0.0475 -0.0348 0.0785 127 ARG A CD 994 N NE . ARG A 127 ? 0.4749 0.3934 0.3570 -0.0515 -0.0529 0.0881 127 ARG A NE 995 C CZ . ARG A 127 ? 0.5367 0.4252 0.3989 -0.0547 -0.0701 0.1006 127 ARG A CZ 996 N NH1 . ARG A 127 ? 0.5543 0.4249 0.4146 -0.0550 -0.0700 0.1037 127 ARG A NH1 997 N NH2 . ARG A 127 ? 0.5482 0.4222 0.3910 -0.0583 -0.0891 0.1104 127 ARG A NH2 998 N N . PHE A 128 ? 0.2758 0.2744 0.2669 -0.0098 -0.0091 0.0457 128 PHE A N 999 C CA . PHE A 128 ? 0.2682 0.2733 0.2767 0.0015 -0.0189 0.0436 128 PHE A CA 1000 C C . PHE A 128 ? 0.3059 0.2913 0.3078 0.0059 -0.0352 0.0510 128 PHE A C 1001 O O . PHE A 128 ? 0.3230 0.2898 0.3159 0.0051 -0.0363 0.0546 128 PHE A O 1002 C CB . PHE A 128 ? 0.2503 0.2669 0.2801 0.0109 -0.0116 0.0352 128 PHE A CB 1003 C CG . PHE A 128 ? 0.2175 0.2525 0.2696 0.0198 -0.0162 0.0290 128 PHE A CG 1004 C CD1 . PHE A 128 ? 0.2107 0.2657 0.2705 0.0151 -0.0094 0.0243 128 PHE A CD1 1005 C CD2 . PHE A 128 ? 0.1936 0.2260 0.2599 0.0323 -0.0281 0.0272 128 PHE A CD2 1006 C CE1 . PHE A 128 ? 0.1989 0.2762 0.2818 0.0208 -0.0126 0.0176 128 PHE A CE1 1007 C CE2 . PHE A 128 ? 0.2469 0.3020 0.3389 0.0409 -0.0318 0.0194 128 PHE A CE2 1008 C CZ . PHE A 128 ? 0.2660 0.3464 0.3670 0.0340 -0.0232 0.0144 128 PHE A CZ 1009 N N . TRP A 129 ? 0.3220 0.3096 0.3284 0.0105 -0.0497 0.0533 129 TRP A N 1010 C CA . TRP A 129 ? 0.3786 0.3429 0.3757 0.0145 -0.0689 0.0621 129 TRP A CA 1011 C C . TRP A 129 ? 0.3778 0.3549 0.3998 0.0287 -0.0843 0.0585 129 TRP A C 1012 O O . TRP A 129 ? 0.3672 0.3625 0.3933 0.0253 -0.0869 0.0573 129 TRP A O 1013 C CB . TRP A 129 ? 0.4242 0.3712 0.3860 -0.0023 -0.0746 0.0738 129 TRP A CB 1014 C CG . TRP A 129 ? 0.5248 0.4403 0.4688 -0.0017 -0.0965 0.0861 129 TRP A CG 1015 C CD1 . TRP A 129 ? 0.5864 0.4922 0.5200 -0.0018 -0.1180 0.0946 129 TRP A CD1 1016 C CD2 . TRP A 129 ? 0.5847 0.4710 0.5179 -0.0014 -0.1015 0.0919 129 TRP A CD2 1017 N NE1 . TRP A 129 ? 0.6618 0.5319 0.5778 -0.0010 -0.1369 0.1063 129 TRP A NE1 1018 C CE2 . TRP A 129 ? 0.6677 0.5243 0.5829 -0.0011 -0.1267 0.1047 129 TRP A CE2 1019 C CE3 . TRP A 129 ? 0.6296 0.5103 0.5653 -0.0023 -0.0885 0.0878 129 TRP A CE3 1020 C CZ2 . TRP A 129 ? 0.7272 0.5455 0.6253 -0.0023 -0.1390 0.1139 129 TRP A CZ2 1021 C CZ3 . TRP A 129 ? 0.6892 0.5352 0.6096 -0.0038 -0.0995 0.0958 129 TRP A CZ3 1022 C CH2 . TRP A 129 ? 0.7382 0.5518 0.6394 -0.0040 -0.1244 0.1088 129 TRP A CH2 1023 N N . GLY A 130 ? 0.3767 0.3451 0.4164 0.0446 -0.0948 0.0555 130 GLY A N 1024 C CA . GLY A 130 ? 0.3764 0.3617 0.4481 0.0615 -0.1096 0.0489 130 GLY A CA 1025 C C . GLY A 130 ? 0.3420 0.3676 0.4455 0.0660 -0.0932 0.0335 130 GLY A C 1026 O O . GLY A 130 ? 0.3150 0.3483 0.4343 0.0732 -0.0809 0.0229 130 GLY A O 1027 N N . THR A 131 ? 0.3353 0.3847 0.4445 0.0592 -0.0928 0.0324 131 THR A N 1028 C CA . THR A 131 ? 0.3234 0.4106 0.4597 0.0593 -0.0784 0.0193 131 THR A CA 1029 C C . THR A 131 ? 0.3124 0.4080 0.4316 0.0413 -0.0646 0.0212 131 THR A C 1030 O O . THR A 131 ? 0.2898 0.4134 0.4266 0.0376 -0.0552 0.0126 131 THR A O 1031 C CB . THR A 131 ? 0.3335 0.4486 0.5029 0.0691 -0.0928 0.0128 131 THR A CB 1032 O OG1 . THR A 131 ? 0.3530 0.4616 0.5049 0.0603 -0.1082 0.0234 131 THR A OG1 1033 C CG2 . THR A 131 ? 0.3700 0.4801 0.5645 0.0909 -0.1092 0.0080 131 THR A CG2 1034 N N . SER A 132 ? 0.3239 0.3955 0.4092 0.0294 -0.0631 0.0312 132 SER A N 1035 C CA . SER A 132 ? 0.3173 0.3942 0.3871 0.0144 -0.0515 0.0312 132 SER A CA 1036 C C . SER A 132 ? 0.3159 0.3701 0.3557 0.0045 -0.0422 0.0372 132 SER A C 1037 O O . SER A 132 ? 0.3370 0.3701 0.3640 0.0064 -0.0467 0.0435 132 SER A O 1038 C CB . SER A 132 ? 0.3308 0.4156 0.3967 0.0080 -0.0646 0.0340 132 SER A CB 1039 O OG . SER A 132 ? 0.3873 0.4472 0.4252 0.0036 -0.0781 0.0452 132 SER A OG 1040 N N . TRP A 133 ? 0.2781 0.3374 0.3095 -0.0057 -0.0289 0.0337 133 TRP A N 1041 C CA . TRP A 133 ? 0.2701 0.3148 0.2777 -0.0154 -0.0197 0.0363 133 TRP A CA 1042 C C . TRP A 133 ? 0.2896 0.3245 0.2721 -0.0257 -0.0283 0.0420 133 TRP A C 1043 O O . TRP A 133 ? 0.2865 0.3291 0.2690 -0.0286 -0.0381 0.0420 133 TRP A O 1044 C CB . TRP A 133 ? 0.2437 0.2967 0.2541 -0.0205 -0.0052 0.0290 133 TRP A CB 1045 C CG . TRP A 133 ? 0.2635 0.3246 0.2923 -0.0141 0.0029 0.0243 133 TRP A CG 1046 C CD1 . TRP A 133 ? 0.2478 0.3259 0.2949 -0.0123 0.0042 0.0191 133 TRP A CD1 1047 C CD2 . TRP A 133 ? 0.2351 0.2888 0.2640 -0.0108 0.0111 0.0240 133 TRP A CD2 1048 N NE1 . TRP A 133 ? 0.2369 0.3165 0.2917 -0.0089 0.0132 0.0161 133 TRP A NE1 1049 C CE2 . TRP A 133 ? 0.2313 0.2954 0.2751 -0.0073 0.0165 0.0193 133 TRP A CE2 1050 C CE3 . TRP A 133 ? 0.2516 0.2921 0.2691 -0.0119 0.0140 0.0272 133 TRP A CE3 1051 C CZ2 . TRP A 133 ? 0.2110 0.2703 0.2559 -0.0045 0.0234 0.0182 133 TRP A CZ2 1052 C CZ3 . TRP A 133 ? 0.2619 0.2999 0.2845 -0.0085 0.0205 0.0256 133 TRP A CZ3 1053 C CH2 . TRP A 133 ? 0.2190 0.2651 0.2539 -0.0045 0.0244 0.0215 133 TRP A CH2 1054 N N . GLN A 134 ? 0.3025 0.3216 0.2625 -0.0332 -0.0245 0.0465 134 GLN A N 1055 C CA . GLN A 134 ? 0.3432 0.3522 0.2732 -0.0466 -0.0295 0.0514 134 GLN A CA 1056 C C . GLN A 134 ? 0.3509 0.3552 0.2633 -0.0574 -0.0133 0.0483 134 GLN A C 1057 O O . GLN A 134 ? 0.3406 0.3440 0.2620 -0.0538 -0.0039 0.0468 134 GLN A O 1058 C CB . GLN A 134 ? 0.3788 0.3704 0.2950 -0.0462 -0.0495 0.0637 134 GLN A CB 1059 C CG . GLN A 134 ? 0.4219 0.3960 0.3330 -0.0442 -0.0501 0.0701 134 GLN A CG 1060 C CD . GLN A 134 ? 0.5487 0.4968 0.4382 -0.0467 -0.0718 0.0841 134 GLN A CD 1061 O OE1 . GLN A 134 ? 0.5788 0.5064 0.4494 -0.0539 -0.0713 0.0913 134 GLN A OE1 1062 N NE2 . GLN A 134 ? 0.5667 0.5147 0.4598 -0.0411 -0.0920 0.0883 134 GLN A NE2 1063 N N . THR A 135 ? 0.3700 0.3733 0.2589 -0.0709 -0.0096 0.0457 135 THR A N 1064 C CA . THR A 135 ? 0.3790 0.3816 0.2522 -0.0821 0.0063 0.0408 135 THR A CA 1065 C C . THR A 135 ? 0.4059 0.3919 0.2526 -0.0930 0.0001 0.0523 135 THR A C 1066 O O . THR A 135 ? 0.4311 0.4035 0.2645 -0.0941 -0.0177 0.0633 135 THR A O 1067 C CB . THR A 135 ? 0.3904 0.3994 0.2486 -0.0927 0.0154 0.0301 135 THR A CB 1068 O OG1 . THR A 135 ? 0.4269 0.4283 0.2601 -0.1022 0.0013 0.0363 135 THR A OG1 1069 C CG2 . THR A 135 ? 0.3595 0.3798 0.2425 -0.0830 0.0214 0.0191 135 THR A CG2 1070 N N . VAL A 136 ? 0.4138 0.4005 0.2538 -0.1013 0.0136 0.0499 136 VAL A N 1071 C CA . VAL A 136 ? 0.4554 0.4248 0.2677 -0.1153 0.0091 0.0613 136 VAL A CA 1072 C C . VAL A 136 ? 0.4931 0.4638 0.2701 -0.1377 0.0185 0.0581 136 VAL A C 1073 O O . VAL A 136 ? 0.4801 0.4670 0.2605 -0.1393 0.0310 0.0442 136 VAL A O 1074 C CB . VAL A 136 ? 0.4446 0.4152 0.2723 -0.1128 0.0177 0.0611 136 VAL A CB 1075 C CG1 . VAL A 136 ? 0.4255 0.3979 0.2873 -0.0912 0.0115 0.0605 136 VAL A CG1 1076 C CG2 . VAL A 136 ? 0.4407 0.4337 0.2786 -0.1180 0.0400 0.0464 136 VAL A CG2 1077 N N . PRO A 137 ? 0.5381 0.4898 0.2787 -0.1561 0.0124 0.0704 137 PRO A N 1078 C CA . PRO A 137 ? 0.5714 0.5268 0.2753 -0.1803 0.0243 0.0655 137 PRO A CA 1079 C C . PRO A 137 ? 0.5443 0.5276 0.2640 -0.1847 0.0524 0.0463 137 PRO A C 1080 O O . PRO A 137 ? 0.5230 0.5155 0.2673 -0.1792 0.0612 0.0435 137 PRO A O 1081 C CB . PRO A 137 ? 0.6143 0.5431 0.2777 -0.2010 0.0145 0.0833 137 PRO A CB 1082 C CG . PRO A 137 ? 0.6241 0.5308 0.3023 -0.1849 -0.0070 0.0980 137 PRO A CG 1083 C CD . PRO A 137 ? 0.5563 0.4818 0.2855 -0.1580 -0.0033 0.0875 137 PRO A CD 1084 N N . GLY A 138 ? 0.5491 0.5459 0.2555 -0.1943 0.0653 0.0323 138 GLY A N 1085 C CA . GLY A 138 ? 0.5181 0.5432 0.2422 -0.1964 0.0914 0.0106 138 GLY A CA 1086 C C . GLY A 138 ? 0.4656 0.5056 0.2312 -0.1727 0.0958 -0.0044 138 GLY A C 1087 O O . GLY A 138 ? 0.4527 0.5141 0.2362 -0.1705 0.1145 -0.0241 138 GLY A O 1088 N N . ALA A 139 ? 0.4261 0.4546 0.2073 -0.1555 0.0784 0.0041 139 ALA A N 1089 C CA . ALA A 139 ? 0.4054 0.4433 0.2209 -0.1359 0.0805 -0.0072 139 ALA A CA 1090 C C . ALA A 139 ? 0.4252 0.4664 0.2285 -0.1405 0.0862 -0.0215 139 ALA A C 1091 O O . ALA A 139 ? 0.4541 0.4862 0.2222 -0.1556 0.0804 -0.0175 139 ALA A O 1092 C CB . ALA A 139 ? 0.3890 0.4161 0.2228 -0.1194 0.0620 0.0052 139 ALA A CB 1093 N N . PRO A 140 ? 0.4103 0.4622 0.2408 -0.1282 0.0964 -0.0384 140 PRO A N 1094 C CA . PRO A 140 ? 0.4228 0.4741 0.2414 -0.1322 0.1011 -0.0535 140 PRO A CA 1095 C C . PRO A 140 ? 0.4105 0.4483 0.2263 -0.1276 0.0830 -0.0448 140 PRO A C 1096 O O . PRO A 140 ? 0.3903 0.4248 0.2280 -0.1147 0.0721 -0.0343 140 PRO A O 1097 C CB . PRO A 140 ? 0.3967 0.4596 0.2486 -0.1182 0.1151 -0.0733 140 PRO A CB 1098 C CG . PRO A 140 ? 0.3740 0.4385 0.2585 -0.1022 0.1091 -0.0629 140 PRO A CG 1099 C CD . PRO A 140 ? 0.3675 0.4313 0.2359 -0.1129 0.1049 -0.0462 140 PRO A CD 1100 N N . SER A 141 ? 0.4325 0.4645 0.2209 -0.1394 0.0801 -0.0498 141 SER A N 1101 C CA . SER A 141 ? 0.4333 0.4561 0.2189 -0.1379 0.0622 -0.0422 141 SER A CA 1102 C C . SER A 141 ? 0.4187 0.4409 0.2363 -0.1225 0.0599 -0.0479 141 SER A C 1103 O O . SER A 141 ? 0.4214 0.4407 0.2458 -0.1195 0.0448 -0.0385 141 SER A O 1104 C CB . SER A 141 ? 0.4646 0.4821 0.2132 -0.1554 0.0607 -0.0496 141 SER A CB 1105 O OG . SER A 141 ? 0.5054 0.5200 0.2177 -0.1727 0.0600 -0.0415 141 SER A OG 1106 N N . TRP A 142 ? 0.4059 0.4305 0.2432 -0.1136 0.0737 -0.0630 142 TRP A N 1107 C CA . TRP A 142 ? 0.3874 0.4052 0.2483 -0.1022 0.0698 -0.0670 142 TRP A CA 1108 C C . TRP A 142 ? 0.3594 0.3791 0.2429 -0.0916 0.0596 -0.0506 142 TRP A C 1109 O O . TRP A 142 ? 0.3694 0.3846 0.2651 -0.0875 0.0520 -0.0479 142 TRP A O 1110 C CB . TRP A 142 ? 0.3712 0.3864 0.2482 -0.0934 0.0834 -0.0863 142 TRP A CB 1111 C CG . TRP A 142 ? 0.3547 0.3806 0.2521 -0.0837 0.0924 -0.0869 142 TRP A CG 1112 C CD1 . TRP A 142 ? 0.3399 0.3794 0.2330 -0.0881 0.1067 -0.0968 142 TRP A CD1 1113 C CD2 . TRP A 142 ? 0.3143 0.3404 0.2390 -0.0698 0.0879 -0.0775 142 TRP A CD2 1114 N NE1 . TRP A 142 ? 0.3207 0.3698 0.2399 -0.0771 0.1102 -0.0942 142 TRP A NE1 1115 C CE2 . TRP A 142 ? 0.3259 0.3656 0.2630 -0.0657 0.0981 -0.0818 142 TRP A CE2 1116 C CE3 . TRP A 142 ? 0.3213 0.3387 0.2596 -0.0623 0.0765 -0.0662 142 TRP A CE3 1117 C CZ2 . TRP A 142 ? 0.3395 0.3827 0.3017 -0.0536 0.0956 -0.0749 142 TRP A CZ2 1118 C CZ3 . TRP A 142 ? 0.3451 0.3650 0.3057 -0.0508 0.0754 -0.0594 142 TRP A CZ3 1119 C CH2 . TRP A 142 ? 0.3238 0.3555 0.2958 -0.0462 0.0839 -0.0636 142 TRP A CH2 1120 N N . LEU A 143 ? 0.3528 0.3789 0.2396 -0.0891 0.0597 -0.0404 143 LEU A N 1121 C CA . LEU A 143 ? 0.3361 0.3640 0.2427 -0.0791 0.0515 -0.0268 143 LEU A CA 1122 C C . LEU A 143 ? 0.3465 0.3747 0.2519 -0.0808 0.0360 -0.0164 143 LEU A C 1123 O O . LEU A 143 ? 0.3432 0.3745 0.2685 -0.0723 0.0307 -0.0099 143 LEU A O 1124 C CB . LEU A 143 ? 0.3318 0.3638 0.2379 -0.0783 0.0541 -0.0190 143 LEU A CB 1125 C CG . LEU A 143 ? 0.3486 0.3858 0.2744 -0.0699 0.0660 -0.0265 143 LEU A CG 1126 C CD1 . LEU A 143 ? 0.2929 0.3358 0.2131 -0.0748 0.0713 -0.0224 143 LEU A CD1 1127 C CD2 . LEU A 143 ? 0.2959 0.3309 0.2472 -0.0564 0.0616 -0.0222 143 LEU A CD2 1128 N N . ASP A 144 ? 0.3695 0.3960 0.2523 -0.0923 0.0290 -0.0161 144 ASP A N 1129 C CA . ASP A 144 ? 0.3818 0.4119 0.2660 -0.0940 0.0127 -0.0080 144 ASP A CA 1130 C C . ASP A 144 ? 0.3782 0.4126 0.2839 -0.0900 0.0109 -0.0119 144 ASP A C 1131 O O . ASP A 144 ? 0.3828 0.4269 0.3032 -0.0869 -0.0002 -0.0048 144 ASP A O 1132 C CB . ASP A 144 ? 0.4134 0.4398 0.2669 -0.1087 0.0046 -0.0086 144 ASP A CB 1133 C CG . ASP A 144 ? 0.4845 0.5050 0.3118 -0.1160 0.0006 0.0006 144 ASP A CG 1134 O OD1 . ASP A 144 ? 0.4911 0.5101 0.3254 -0.1097 0.0027 0.0084 144 ASP A OD1 1135 O OD2 . ASP A 144 ? 0.5754 0.5903 0.3708 -0.1305 -0.0051 0.0005 144 ASP A OD2 1136 N N . LEU A 145 ? 0.3853 0.4125 0.2929 -0.0907 0.0208 -0.0234 145 LEU A N 1137 C CA . LEU A 145 ? 0.3835 0.4112 0.3082 -0.0896 0.0186 -0.0251 145 LEU A CA 1138 C C . LEU A 145 ? 0.3521 0.3841 0.3003 -0.0783 0.0212 -0.0184 145 LEU A C 1139 O O . LEU A 145 ? 0.3493 0.3924 0.3119 -0.0775 0.0148 -0.0128 145 LEU A O 1140 C CB . LEU A 145 ? 0.3994 0.4122 0.3166 -0.0948 0.0250 -0.0385 145 LEU A CB 1141 C CG . LEU A 145 ? 0.4364 0.4451 0.3644 -0.0991 0.0213 -0.0396 145 LEU A CG 1142 C CD1 . LEU A 145 ? 0.4374 0.4619 0.3686 -0.1087 0.0089 -0.0345 145 LEU A CD1 1143 C CD2 . LEU A 145 ? 0.4375 0.4243 0.3547 -0.1035 0.0265 -0.0534 145 LEU A CD2 1144 N N . PRO A 146 ? 0.3481 0.3737 0.3007 -0.0700 0.0303 -0.0198 146 PRO A N 1145 C CA . PRO A 146 ? 0.3271 0.3573 0.2977 -0.0608 0.0309 -0.0124 146 PRO A CA 1146 C C . PRO A 146 ? 0.3289 0.3724 0.3065 -0.0577 0.0231 -0.0028 146 PRO A C 1147 O O . PRO A 146 ? 0.3240 0.3755 0.3173 -0.0540 0.0212 0.0005 146 PRO A O 1148 C CB . PRO A 146 ? 0.3226 0.3467 0.2942 -0.0536 0.0395 -0.0151 146 PRO A CB 1149 C CG . PRO A 146 ? 0.3312 0.3467 0.2924 -0.0572 0.0456 -0.0269 146 PRO A CG 1150 C CD . PRO A 146 ? 0.3562 0.3717 0.3012 -0.0686 0.0405 -0.0301 146 PRO A CD 1151 N N . ILE A 147 ? 0.3421 0.3869 0.3074 -0.0595 0.0181 0.0009 147 ILE A N 1152 C CA . ILE A 147 ? 0.3424 0.3957 0.3148 -0.0551 0.0072 0.0098 147 ILE A CA 1153 C C . ILE A 147 ? 0.3346 0.4021 0.3205 -0.0569 -0.0021 0.0096 147 ILE A C 1154 O O . ILE A 147 ? 0.3274 0.4071 0.3338 -0.0496 -0.0059 0.0121 147 ILE A O 1155 C CB . ILE A 147 ? 0.3739 0.4207 0.3259 -0.0590 0.0000 0.0159 147 ILE A CB 1156 C CG1 . ILE A 147 ? 0.3912 0.4291 0.3350 -0.0578 0.0093 0.0171 147 ILE A CG1 1157 C CG2 . ILE A 147 ? 0.3747 0.4266 0.3352 -0.0531 -0.0158 0.0248 147 ILE A CG2 1158 C CD1 . ILE A 147 ? 0.3933 0.4327 0.3571 -0.0468 0.0138 0.0190 147 ILE A CD1 1159 N N . LYS A 148 ? 0.3364 0.4041 0.3120 -0.0671 -0.0053 0.0050 148 LYS A N 1160 C CA . LYS A 148 ? 0.3415 0.4254 0.3307 -0.0713 -0.0145 0.0039 148 LYS A CA 1161 C C . LYS A 148 ? 0.3197 0.4128 0.3306 -0.0697 -0.0066 0.0008 148 LYS A C 1162 O O . LYS A 148 ? 0.3027 0.4166 0.3357 -0.0674 -0.0114 0.0012 148 LYS A O 1163 C CB . LYS A 148 ? 0.3594 0.4390 0.3305 -0.0849 -0.0184 -0.0016 148 LYS A CB 1164 C CG . LYS A 148 ? 0.4115 0.5087 0.3993 -0.0921 -0.0251 -0.0049 148 LYS A CG 1165 C CD . LYS A 148 ? 0.5113 0.5995 0.4811 -0.1070 -0.0255 -0.0126 148 LYS A CD 1166 C CE . LYS A 148 ? 0.5878 0.6808 0.5428 -0.1146 -0.0412 -0.0113 148 LYS A CE 1167 N NZ . LYS A 148 ? 0.6179 0.7322 0.5899 -0.1234 -0.0524 -0.0137 148 LYS A NZ 1168 N N . VAL A 149 ? 0.3076 0.3855 0.3120 -0.0709 0.0050 -0.0025 149 VAL A N 1169 C CA . VAL A 149 ? 0.3133 0.3943 0.3305 -0.0727 0.0116 -0.0039 149 VAL A CA 1170 C C . VAL A 149 ? 0.2906 0.3815 0.3235 -0.0622 0.0145 0.0002 149 VAL A C 1171 O O . VAL A 149 ? 0.2868 0.3948 0.3362 -0.0637 0.0158 -0.0006 149 VAL A O 1172 C CB . VAL A 149 ? 0.3252 0.3817 0.3292 -0.0762 0.0199 -0.0078 149 VAL A CB 1173 C CG1 . VAL A 149 ? 0.3210 0.3754 0.3324 -0.0794 0.0250 -0.0064 149 VAL A CG1 1174 C CG2 . VAL A 149 ? 0.3261 0.3720 0.3157 -0.0869 0.0174 -0.0144 149 VAL A CG2 1175 N N . LEU A 150 ? 0.2952 0.3761 0.3225 -0.0529 0.0165 0.0034 150 LEU A N 1176 C CA . LEU A 150 ? 0.2861 0.3740 0.3260 -0.0429 0.0180 0.0065 150 LEU A CA 1177 C C . LEU A 150 ? 0.2750 0.3837 0.3326 -0.0380 0.0093 0.0069 150 LEU A C 1178 O O . LEU A 150 ? 0.2703 0.3929 0.3449 -0.0335 0.0122 0.0047 150 LEU A O 1179 C CB . LEU A 150 ? 0.2821 0.3556 0.3119 -0.0357 0.0196 0.0100 150 LEU A CB 1180 C CG . LEU A 150 ? 0.3203 0.3779 0.3409 -0.0366 0.0280 0.0083 150 LEU A CG 1181 C CD1 . LEU A 150 ? 0.3215 0.3709 0.3339 -0.0322 0.0292 0.0103 150 LEU A CD1 1182 C CD2 . LEU A 150 ? 0.3220 0.3783 0.3497 -0.0351 0.0335 0.0086 150 LEU A CD2 1183 N N . ASN A 151 ? 0.2671 0.3785 0.3210 -0.0389 -0.0020 0.0086 151 ASN A N 1184 C CA . ASN A 151 ? 0.2687 0.3994 0.3425 -0.0319 -0.0140 0.0089 151 ASN A CA 1185 C C . ASN A 151 ? 0.2582 0.4159 0.3544 -0.0371 -0.0147 0.0025 151 ASN A C 1186 O O . ASN A 151 ? 0.2632 0.4423 0.3836 -0.0292 -0.0232 0.0000 151 ASN A O 1187 C CB . ASN A 151 ? 0.2817 0.4044 0.3421 -0.0316 -0.0297 0.0147 151 ASN A CB 1188 C CG . ASN A 151 ? 0.2997 0.4011 0.3445 -0.0252 -0.0312 0.0216 151 ASN A CG 1189 O OD1 . ASN A 151 ? 0.3114 0.4103 0.3650 -0.0169 -0.0249 0.0213 151 ASN A OD1 1190 N ND2 . ASN A 151 ? 0.3240 0.4098 0.3437 -0.0310 -0.0389 0.0275 151 ASN A ND2 1191 N N . ALA A 152 ? 0.2449 0.4017 0.3342 -0.0504 -0.0068 -0.0007 152 ALA A N 1192 C CA . ALA A 152 ? 0.2430 0.4268 0.3533 -0.0590 -0.0052 -0.0071 152 ALA A CA 1193 C C . ALA A 152 ? 0.2238 0.4213 0.3510 -0.0551 0.0064 -0.0109 152 ALA A C 1194 O O . ALA A 152 ? 0.2114 0.4389 0.3625 -0.0592 0.0086 -0.0176 152 ALA A O 1195 C CB . ALA A 152 ? 0.2462 0.4200 0.3410 -0.0766 -0.0004 -0.0090 152 ALA A CB 1196 N N . ASP A 153 ? 0.2177 0.3949 0.3322 -0.0484 0.0143 -0.0075 153 ASP A N 1197 C CA . ASP A 153 ? 0.2266 0.4125 0.3497 -0.0476 0.0265 -0.0112 153 ASP A CA 1198 C C . ASP A 153 ? 0.2173 0.4219 0.3639 -0.0323 0.0236 -0.0159 153 ASP A C 1199 O O . ASP A 153 ? 0.2172 0.4052 0.3568 -0.0210 0.0225 -0.0128 153 ASP A O 1200 C CB . ASP A 153 ? 0.2184 0.3745 0.3179 -0.0473 0.0342 -0.0060 153 ASP A CB 1201 C CG . ASP A 153 ? 0.2530 0.4152 0.3538 -0.0519 0.0466 -0.0090 153 ASP A CG 1202 O OD1 . ASP A 153 ? 0.2087 0.4004 0.3302 -0.0536 0.0512 -0.0167 153 ASP A OD1 1203 O OD2 . ASP A 153 ? 0.2338 0.3724 0.3149 -0.0541 0.0514 -0.0043 153 ASP A OD2 1204 N N . GLN A 154 ? 0.2240 0.4633 0.4000 -0.0318 0.0218 -0.0245 154 GLN A N 1205 C CA . GLN A 154 ? 0.2271 0.4859 0.4309 -0.0148 0.0171 -0.0317 154 GLN A CA 1206 C C . GLN A 154 ? 0.2188 0.4742 0.4216 -0.0091 0.0301 -0.0365 154 GLN A C 1207 O O . GLN A 154 ? 0.2080 0.4578 0.4189 0.0074 0.0247 -0.0385 154 GLN A O 1208 C CB . GLN A 154 ? 0.2342 0.5367 0.4752 -0.0155 0.0134 -0.0426 154 GLN A CB 1209 C CG . GLN A 154 ? 0.3284 0.6350 0.5734 -0.0172 -0.0049 -0.0381 154 GLN A CG 1210 C CD . GLN A 154 ? 0.4240 0.7763 0.7132 -0.0122 -0.0138 -0.0494 154 GLN A CD 1211 O OE1 . GLN A 154 ? 0.4422 0.8263 0.7484 -0.0268 -0.0055 -0.0574 154 GLN A OE1 1212 N NE2 . GLN A 154 ? 0.4769 0.8324 0.7858 0.0081 -0.0317 -0.0501 154 GLN A NE2 1213 N N . GLY A 155 ? 0.2147 0.4710 0.4051 -0.0238 0.0460 -0.0381 155 GLY A N 1214 C CA . GLY A 155 ? 0.2039 0.4577 0.3889 -0.0220 0.0590 -0.0431 155 GLY A CA 1215 C C . GLY A 155 ? 0.2061 0.4230 0.3672 -0.0134 0.0550 -0.0341 155 GLY A C 1216 O O . GLY A 155 ? 0.2139 0.4265 0.3768 -0.0032 0.0577 -0.0386 155 GLY A O 1217 N N . THR A 156 ? 0.2075 0.3984 0.3469 -0.0177 0.0488 -0.0227 156 THR A N 1218 C CA . THR A 156 ? 0.2021 0.3626 0.3222 -0.0106 0.0453 -0.0151 156 THR A CA 1219 C C . THR A 156 ? 0.2095 0.3664 0.3399 0.0048 0.0335 -0.0148 156 THR A C 1220 O O . THR A 156 ? 0.2185 0.3602 0.3432 0.0130 0.0328 -0.0140 156 THR A O 1221 C CB . THR A 156 ? 0.2049 0.3419 0.3022 -0.0187 0.0432 -0.0058 156 THR A CB 1222 O OG1 . THR A 156 ? 0.2291 0.3609 0.3135 -0.0314 0.0524 -0.0050 156 THR A OG1 1223 C CG2 . THR A 156 ? 0.1533 0.2652 0.2361 -0.0110 0.0391 0.0005 156 THR A CG2 1224 N N . SER A 157 ? 0.2076 0.3771 0.3526 0.0082 0.0228 -0.0152 157 SER A N 1225 C CA . SER A 157 ? 0.2155 0.3761 0.3662 0.0217 0.0083 -0.0126 157 SER A CA 1226 C C . SER A 157 ? 0.2137 0.3842 0.3858 0.0360 0.0090 -0.0227 157 SER A C 1227 O O . SER A 157 ? 0.2193 0.3684 0.3852 0.0459 0.0025 -0.0199 157 SER A O 1228 C CB . SER A 157 ? 0.2175 0.3889 0.3775 0.0215 -0.0059 -0.0102 157 SER A CB 1229 O OG . SER A 157 ? 0.2590 0.4219 0.4266 0.0357 -0.0224 -0.0078 157 SER A OG 1230 N N . ALA A 158 ? 0.1900 0.3924 0.3865 0.0358 0.0176 -0.0353 158 ALA A N 1231 C CA . ALA A 158 ? 0.2094 0.4253 0.4293 0.0499 0.0203 -0.0489 158 ALA A CA 1232 C C . ALA A 158 ? 0.2171 0.4119 0.4164 0.0490 0.0312 -0.0496 158 ALA A C 1233 O O . ALA A 158 ? 0.2464 0.4295 0.4509 0.0626 0.0268 -0.0545 158 ALA A O 1234 C CB . ALA A 158 ? 0.1861 0.4474 0.4380 0.0472 0.0308 -0.0650 158 ALA A CB 1235 N N . THR A 159 ? 0.2084 0.3967 0.3842 0.0332 0.0436 -0.0448 159 THR A N 1236 C CA . THR A 159 ? 0.2219 0.3890 0.3756 0.0307 0.0514 -0.0437 159 THR A CA 1237 C C . THR A 159 ? 0.2275 0.3612 0.3657 0.0381 0.0398 -0.0336 159 THR A C 1238 O O . THR A 159 ? 0.2453 0.3660 0.3808 0.0457 0.0395 -0.0378 159 THR A O 1239 C CB . THR A 159 ? 0.2188 0.3815 0.3488 0.0123 0.0624 -0.0377 159 THR A CB 1240 O OG1 . THR A 159 ? 0.2451 0.4361 0.3848 0.0025 0.0752 -0.0478 159 THR A OG1 1241 C CG2 . THR A 159 ? 0.2218 0.3601 0.3275 0.0099 0.0661 -0.0340 159 THR A CG2 1242 N N . VAL A 160 ? 0.2221 0.3421 0.3487 0.0342 0.0313 -0.0212 160 VAL A N 1243 C CA . VAL A 160 ? 0.2243 0.3153 0.3347 0.0373 0.0221 -0.0117 160 VAL A CA 1244 C C . VAL A 160 ? 0.2508 0.3324 0.3728 0.0520 0.0091 -0.0140 160 VAL A C 1245 O O . VAL A 160 ? 0.2550 0.3135 0.3662 0.0556 0.0055 -0.0117 160 VAL A O 1246 C CB . VAL A 160 ? 0.2374 0.3189 0.3323 0.0283 0.0178 -0.0001 160 VAL A CB 1247 C CG1 . VAL A 160 ? 0.2033 0.2593 0.2823 0.0292 0.0093 0.0087 160 VAL A CG1 1248 C CG2 . VAL A 160 ? 0.1949 0.2776 0.2775 0.0163 0.0288 0.0015 160 VAL A CG2 1249 N N . GLN A 161 ? 0.2483 0.3470 0.3932 0.0606 0.0007 -0.0188 161 GLN A N 1250 C CA . GLN A 161 ? 0.2694 0.3570 0.4272 0.0766 -0.0142 -0.0213 161 GLN A CA 1251 C C . GLN A 161 ? 0.2950 0.3804 0.4620 0.0864 -0.0075 -0.0347 161 GLN A C 1252 O O . GLN A 161 ? 0.3061 0.3648 0.4693 0.0961 -0.0180 -0.0339 161 GLN A O 1253 C CB . GLN A 161 ? 0.2676 0.3786 0.4544 0.0862 -0.0259 -0.0263 161 GLN A CB 1254 C CG . GLN A 161 ? 0.2249 0.3336 0.4016 0.0785 -0.0376 -0.0136 161 GLN A CG 1255 C CD . GLN A 161 ? 0.2094 0.3485 0.4178 0.0860 -0.0474 -0.0205 161 GLN A CD 1256 O OE1 . GLN A 161 ? 0.2019 0.3456 0.4357 0.1033 -0.0594 -0.0280 161 GLN A OE1 1257 N NE2 . GLN A 161 ? 0.1741 0.3349 0.3833 0.0733 -0.0426 -0.0193 161 GLN A NE2 1258 N N . MET A 162 ? 0.2862 0.3971 0.4622 0.0821 0.0097 -0.0469 162 MET A N 1259 C CA . MET A 162 ? 0.3163 0.4292 0.4993 0.0893 0.0188 -0.0622 162 MET A CA 1260 C C . MET A 162 ? 0.3064 0.3878 0.4580 0.0817 0.0223 -0.0554 162 MET A C 1261 O O . MET A 162 ? 0.3326 0.3950 0.4823 0.0901 0.0189 -0.0615 162 MET A O 1262 C CB . MET A 162 ? 0.3043 0.4556 0.5026 0.0835 0.0372 -0.0773 162 MET A CB 1263 C CG . MET A 162 ? 0.4064 0.5647 0.6107 0.0889 0.0500 -0.0967 162 MET A CG 1264 S SD . MET A 162 ? 0.4876 0.6814 0.6878 0.0706 0.0764 -0.1092 162 MET A SD 1265 C CE . MET A 162 ? 0.5212 0.6823 0.6747 0.0514 0.0780 -0.0887 162 MET A CE 1266 N N . LEU A 163 ? 0.2880 0.3642 0.4170 0.0662 0.0277 -0.0435 163 LEU A N 1267 C CA . LEU A 163 ? 0.3000 0.3506 0.4034 0.0587 0.0286 -0.0361 163 LEU A CA 1268 C C . LEU A 163 ? 0.3059 0.3258 0.4010 0.0639 0.0143 -0.0279 163 LEU A C 1269 O O . LEU A 163 ? 0.3212 0.3216 0.4070 0.0654 0.0133 -0.0310 163 LEU A O 1270 C CB . LEU A 163 ? 0.2851 0.3363 0.3714 0.0440 0.0333 -0.0244 163 LEU A CB 1271 C CG . LEU A 163 ? 0.3212 0.3883 0.4016 0.0337 0.0467 -0.0283 163 LEU A CG 1272 C CD1 . LEU A 163 ? 0.3194 0.3811 0.3849 0.0221 0.0468 -0.0156 163 LEU A CD1 1273 C CD2 . LEU A 163 ? 0.3508 0.4098 0.4198 0.0324 0.0529 -0.0359 163 LEU A CD2 1274 N N . LEU A 164 ? 0.3017 0.3163 0.3973 0.0644 0.0031 -0.0174 164 LEU A N 1275 C CA . LEU A 164 ? 0.3086 0.2926 0.3911 0.0651 -0.0109 -0.0071 164 LEU A CA 1276 C C . LEU A 164 ? 0.3290 0.2970 0.4239 0.0811 -0.0236 -0.0138 164 LEU A C 1277 O O . LEU A 164 ? 0.3449 0.2829 0.4265 0.0811 -0.0306 -0.0108 164 LEU A O 1278 C CB . LEU A 164 ? 0.2946 0.2778 0.3685 0.0578 -0.0179 0.0061 164 LEU A CB 1279 C CG . LEU A 164 ? 0.2888 0.2817 0.3495 0.0431 -0.0073 0.0124 164 LEU A CG 1280 C CD1 . LEU A 164 ? 0.2793 0.2705 0.3320 0.0375 -0.0152 0.0225 164 LEU A CD1 1281 C CD2 . LEU A 164 ? 0.2934 0.2703 0.3365 0.0340 -0.0027 0.0165 164 LEU A CD2 1282 N N . ASN A 165 ? 0.3286 0.3164 0.4504 0.0946 -0.0274 -0.0237 165 ASN A N 1283 C CA . ASN A 165 ? 0.3662 0.3381 0.5039 0.1129 -0.0423 -0.0309 165 ASN A CA 1284 C C . ASN A 165 ? 0.3916 0.3615 0.5390 0.1226 -0.0344 -0.0493 165 ASN A C 1285 O O . ASN A 165 ? 0.4230 0.3677 0.5766 0.1365 -0.0476 -0.0545 165 ASN A O 1286 C CB . ASN A 165 ? 0.3651 0.3615 0.5348 0.1270 -0.0523 -0.0369 165 ASN A CB 1287 C CG . ASN A 165 ? 0.3740 0.3682 0.5343 0.1200 -0.0653 -0.0198 165 ASN A CG 1288 O OD1 . ASN A 165 ? 0.3529 0.3299 0.4831 0.1040 -0.0646 -0.0045 165 ASN A OD1 1289 N ND2 . ASN A 165 ? 0.3562 0.3702 0.5437 0.1318 -0.0772 -0.0240 165 ASN A ND2 1290 N N . ASP A 166 ? 0.3828 0.3786 0.5324 0.1162 -0.0140 -0.0606 166 ASP A N 1291 C CA . ASP A 166 ? 0.4118 0.4122 0.5729 0.1257 -0.0049 -0.0818 166 ASP A CA 1292 C C . ASP A 166 ? 0.4075 0.4021 0.5426 0.1108 0.0098 -0.0830 166 ASP A C 1293 O O . ASP A 166 ? 0.4228 0.3912 0.5462 0.1128 0.0076 -0.0882 166 ASP A O 1294 C CB . ASP A 166 ? 0.4100 0.4541 0.6053 0.1351 0.0053 -0.1009 166 ASP A CB 1295 C CG . ASP A 166 ? 0.4541 0.5088 0.6807 0.1515 -0.0112 -0.1015 166 ASP A CG 1296 O OD1 . ASP A 166 ? 0.5345 0.5573 0.7621 0.1639 -0.0319 -0.0960 166 ASP A OD1 1297 O OD2 . ASP A 166 ? 0.5031 0.5975 0.7528 0.1510 -0.0051 -0.1069 166 ASP A OD2 1298 N N . THR A 167 ? 0.3890 0.4051 0.5138 0.0953 0.0228 -0.0772 167 THR A N 1299 C CA . THR A 167 ? 0.3937 0.4077 0.4956 0.0817 0.0355 -0.0791 167 THR A CA 1300 C C . THR A 167 ? 0.4109 0.3909 0.4883 0.0743 0.0270 -0.0667 167 THR A C 1301 O O . THR A 167 ? 0.4348 0.4004 0.4983 0.0713 0.0302 -0.0738 167 THR A O 1302 C CB . THR A 167 ? 0.3780 0.4153 0.4722 0.0668 0.0465 -0.0719 167 THR A CB 1303 O OG1 . THR A 167 ? 0.3862 0.4559 0.5047 0.0713 0.0524 -0.0805 167 THR A OG1 1304 C CG2 . THR A 167 ? 0.3604 0.3977 0.4319 0.0538 0.0588 -0.0763 167 THR A CG2 1305 N N . CYS A 168 ? 0.3989 0.3679 0.4701 0.0696 0.0172 -0.0493 168 CYS A N 1306 C CA . CYS A 168 ? 0.4132 0.3557 0.4629 0.0597 0.0110 -0.0377 168 CYS A CA 1307 C C . CYS A 168 ? 0.4290 0.3388 0.4736 0.0660 0.0011 -0.0426 168 CYS A C 1308 O O . CYS A 168 ? 0.4318 0.3290 0.4618 0.0592 0.0039 -0.0464 168 CYS A O 1309 C CB . CYS A 168 ? 0.4137 0.3544 0.4573 0.0516 0.0051 -0.0201 168 CYS A CB 1310 S SG . CYS A 168 ? 0.4984 0.4165 0.5193 0.0362 0.0013 -0.0078 168 CYS A SG 1311 N N . PRO A 169 ? 0.4393 0.3334 0.4950 0.0789 -0.0120 -0.0428 169 PRO A N 1312 C CA . PRO A 169 ? 0.4643 0.3222 0.5143 0.0856 -0.0225 -0.0486 169 PRO A CA 1313 C C . PRO A 169 ? 0.4749 0.3351 0.5296 0.0929 -0.0133 -0.0706 169 PRO A C 1314 O O . PRO A 169 ? 0.4906 0.3234 0.5293 0.0885 -0.0162 -0.0741 169 PRO A O 1315 C CB . PRO A 169 ? 0.4774 0.3213 0.5424 0.1012 -0.0396 -0.0462 169 PRO A CB 1316 C CG . PRO A 169 ? 0.4679 0.3476 0.5498 0.1034 -0.0358 -0.0424 169 PRO A CG 1317 C CD . PRO A 169 ? 0.4334 0.3354 0.5023 0.0855 -0.0209 -0.0347 169 PRO A CD 1318 N N . LEU A 170 ? 0.4542 0.3472 0.5289 0.1018 -0.0015 -0.0859 170 LEU A N 1319 C CA . LEU A 170 ? 0.4780 0.3772 0.5543 0.1059 0.0103 -0.1082 170 LEU A CA 1320 C C . LEU A 170 ? 0.4695 0.3636 0.5165 0.0870 0.0192 -0.1058 170 LEU A C 1321 O O . LEU A 170 ? 0.4905 0.3620 0.5241 0.0860 0.0186 -0.1162 170 LEU A O 1322 C CB . LEU A 170 ? 0.4712 0.4133 0.5720 0.1134 0.0245 -0.1238 170 LEU A CB 1323 C CG . LEU A 170 ? 0.5431 0.4947 0.6489 0.1196 0.0381 -0.1512 170 LEU A CG 1324 C CD1 . LEU A 170 ? 0.5999 0.5119 0.7015 0.1307 0.0280 -0.1631 170 LEU A CD1 1325 C CD2 . LEU A 170 ? 0.5851 0.5781 0.7262 0.1325 0.0484 -0.1696 170 LEU A CD2 1326 N N . PHE A 171 ? 0.4383 0.3519 0.4759 0.0726 0.0255 -0.0921 171 PHE A N 1327 C CA . PHE A 171 ? 0.4242 0.3356 0.4368 0.0552 0.0306 -0.0866 171 PHE A CA 1328 C C . PHE A 171 ? 0.4294 0.3076 0.4250 0.0478 0.0190 -0.0785 171 PHE A C 1329 O O . PHE A 171 ? 0.4528 0.3192 0.4322 0.0412 0.0207 -0.0863 171 PHE A O 1330 C CB . PHE A 171 ? 0.3831 0.3167 0.3928 0.0442 0.0350 -0.0717 171 PHE A CB 1331 C CG . PHE A 171 ? 0.4087 0.3406 0.3959 0.0283 0.0372 -0.0655 171 PHE A CG 1332 C CD1 . PHE A 171 ? 0.4288 0.3654 0.4009 0.0222 0.0459 -0.0773 171 PHE A CD1 1333 C CD2 . PHE A 171 ? 0.3929 0.3199 0.3742 0.0191 0.0301 -0.0488 171 PHE A CD2 1334 C CE1 . PHE A 171 ? 0.4207 0.3545 0.3709 0.0077 0.0448 -0.0707 171 PHE A CE1 1335 C CE2 . PHE A 171 ? 0.4113 0.3387 0.3763 0.0064 0.0296 -0.0438 171 PHE A CE2 1336 C CZ . PHE A 171 ? 0.4377 0.3673 0.3864 0.0009 0.0356 -0.0539 171 PHE A CZ 1337 N N . VAL A 172 ? 0.4289 0.2922 0.4272 0.0477 0.0074 -0.0637 172 VAL A N 1338 C CA . VAL A 172 ? 0.4445 0.2786 0.4271 0.0372 -0.0029 -0.0542 172 VAL A CA 1339 C C . VAL A 172 ? 0.4910 0.2922 0.4677 0.0430 -0.0098 -0.0665 172 VAL A C 1340 O O . VAL A 172 ? 0.5190 0.3012 0.4782 0.0313 -0.0129 -0.0668 172 VAL A O 1341 C CB . VAL A 172 ? 0.4415 0.2671 0.4256 0.0339 -0.0124 -0.0363 172 VAL A CB 1342 C CG1 . VAL A 172 ? 0.4499 0.2468 0.4165 0.0195 -0.0214 -0.0272 172 VAL A CG1 1343 C CG2 . VAL A 172 ? 0.3912 0.2476 0.3799 0.0273 -0.0052 -0.0258 172 VAL A CG2 1344 N N . ARG A 173 ? 0.5040 0.2985 0.4963 0.0615 -0.0127 -0.0782 173 ARG A N 1345 C CA . ARG A 173 ? 0.5499 0.3114 0.5384 0.0698 -0.0192 -0.0932 173 ARG A CA 1346 C C . ARG A 173 ? 0.5447 0.3117 0.5198 0.0630 -0.0077 -0.1097 173 ARG A C 1347 O O . ARG A 173 ? 0.5711 0.3078 0.5296 0.0571 -0.0133 -0.1151 173 ARG A O 1348 C CB . ARG A 173 ? 0.5786 0.3363 0.5918 0.0938 -0.0246 -0.1058 173 ARG A CB 1349 C CG . ARG A 173 ? 0.6806 0.4043 0.6946 0.0989 -0.0451 -0.0910 173 ARG A CG 1350 C CD . ARG A 173 ? 0.8381 0.5532 0.8790 0.1257 -0.0557 -0.1035 173 ARG A CD 1351 N NE . ARG A 173 ? 0.8914 0.6367 0.9534 0.1332 -0.0572 -0.0946 173 ARG A NE 1352 C CZ . ARG A 173 ? 0.8978 0.6827 0.9896 0.1479 -0.0476 -0.1097 173 ARG A CZ 1353 N NH1 . ARG A 173 ? 0.9020 0.7034 1.0067 0.1573 -0.0338 -0.1356 173 ARG A NH1 1354 N NH2 . ARG A 173 ? 0.8682 0.6773 0.9766 0.1520 -0.0513 -0.0997 173 ARG A NH2 1355 N N . GLY A 174 ? 0.5085 0.3125 0.4871 0.0612 0.0077 -0.1162 174 GLY A N 1356 C CA . GLY A 174 ? 0.5070 0.3166 0.4674 0.0519 0.0182 -0.1298 174 GLY A CA 1357 C C . GLY A 174 ? 0.5027 0.3034 0.4393 0.0312 0.0133 -0.1159 174 GLY A C 1358 O O . GLY A 174 ? 0.5249 0.3099 0.4421 0.0228 0.0129 -0.1254 174 GLY A O 1359 N N . LEU A 175 ? 0.4760 0.2882 0.4155 0.0230 0.0094 -0.0949 175 LEU A N 1360 C CA . LEU A 175 ? 0.4767 0.2856 0.4008 0.0049 0.0039 -0.0822 175 LEU A CA 1361 C C . LEU A 175 ? 0.5046 0.2780 0.4184 -0.0013 -0.0077 -0.0819 175 LEU A C 1362 O O . LEU A 175 ? 0.5292 0.2951 0.4266 -0.0152 -0.0108 -0.0832 175 LEU A O 1363 C CB . LEU A 175 ? 0.4360 0.2635 0.3699 -0.0001 0.0022 -0.0623 175 LEU A CB 1364 C CG . LEU A 175 ? 0.4138 0.2730 0.3494 -0.0045 0.0097 -0.0560 175 LEU A CG 1365 C CD1 . LEU A 175 ? 0.3654 0.2363 0.3130 -0.0071 0.0067 -0.0388 175 LEU A CD1 1366 C CD2 . LEU A 175 ? 0.4007 0.2649 0.3182 -0.0175 0.0098 -0.0577 175 LEU A CD2 1367 N N . LEU A 176 ? 0.5301 0.2802 0.4521 0.0075 -0.0158 -0.0792 176 LEU A N 1368 C CA . LEU A 176 ? 0.5709 0.2805 0.4808 0.0002 -0.0286 -0.0772 176 LEU A CA 1369 C C . LEU A 176 ? 0.6130 0.2978 0.5092 0.0013 -0.0294 -0.0970 176 LEU A C 1370 O O . LEU A 176 ? 0.6346 0.2961 0.5140 -0.0136 -0.0369 -0.0960 176 LEU A O 1371 C CB . LEU A 176 ? 0.5860 0.2710 0.5040 0.0097 -0.0393 -0.0688 176 LEU A CB 1372 C CG . LEU A 176 ? 0.5830 0.2849 0.5083 0.0045 -0.0407 -0.0478 176 LEU A CG 1373 C CD1 . LEU A 176 ? 0.6309 0.3093 0.5632 0.0181 -0.0516 -0.0434 176 LEU A CD1 1374 C CD2 . LEU A 176 ? 0.5747 0.2719 0.4867 -0.0192 -0.0448 -0.0326 176 LEU A CD2 1375 N N . GLU A 177 ? 0.6303 0.3215 0.5338 0.0177 -0.0211 -0.1165 177 GLU A N 1376 C CA . GLU A 177 ? 0.6876 0.3582 0.5768 0.0187 -0.0191 -0.1390 177 GLU A CA 1377 C C . GLU A 177 ? 0.6709 0.3589 0.5392 0.0001 -0.0128 -0.1405 177 GLU A C 1378 O O . GLU A 177 ? 0.6879 0.3520 0.5365 -0.0119 -0.0189 -0.1463 177 GLU A O 1379 C CB . GLU A 177 ? 0.7118 0.3902 0.6162 0.0409 -0.0093 -0.1629 177 GLU A CB 1380 C CG . GLU A 177 ? 0.7826 0.4496 0.7132 0.0633 -0.0169 -0.1633 177 GLU A CG 1381 C CD . GLU A 177 ? 0.8811 0.5661 0.8332 0.0856 -0.0053 -0.1902 177 GLU A CD 1382 O OE1 . GLU A 177 ? 0.9314 0.5979 0.8775 0.0920 -0.0022 -0.2149 177 GLU A OE1 1383 O OE2 . GLU A 177 ? 0.8769 0.5962 0.8529 0.0962 0.0012 -0.1878 177 GLU A OE2 1384 N N . ALA A 178 ? 0.6318 0.3591 0.5034 -0.0030 -0.0025 -0.1345 178 ALA A N 1385 C CA . ALA A 178 ? 0.6278 0.3701 0.4780 -0.0197 0.0009 -0.1350 178 ALA A CA 1386 C C . ALA A 178 ? 0.6231 0.3596 0.4642 -0.0388 -0.0115 -0.1183 178 ALA A C 1387 O O . ALA A 178 ? 0.6395 0.3702 0.4601 -0.0528 -0.0153 -0.1232 178 ALA A O 1388 C CB . ALA A 178 ? 0.5984 0.3795 0.4527 -0.0190 0.0127 -0.1307 178 ALA A CB 1389 N N . GLY A 179 ? 0.5955 0.3362 0.4524 -0.0402 -0.0175 -0.0997 179 GLY A N 1390 C CA . GLY A 179 ? 0.6041 0.3459 0.4579 -0.0583 -0.0274 -0.0857 179 GLY A CA 1391 C C . GLY A 179 ? 0.6386 0.3460 0.4868 -0.0675 -0.0384 -0.0841 179 GLY A C 1392 O O . GLY A 179 ? 0.6319 0.3444 0.4824 -0.0832 -0.0452 -0.0716 179 GLY A O 1393 N N . LYS A 180 ? 0.6776 0.3501 0.5194 -0.0582 -0.0404 -0.0972 180 LYS A N 1394 C CA . LYS A 180 ? 0.7259 0.3571 0.5600 -0.0660 -0.0523 -0.0951 180 LYS A CA 1395 C C . LYS A 180 ? 0.7353 0.3627 0.5559 -0.0911 -0.0604 -0.0908 180 LYS A C 1396 O O . LYS A 180 ? 0.7398 0.3587 0.5618 -0.1060 -0.0678 -0.0772 180 LYS A O 1397 C CB . LYS A 180 ? 0.7705 0.3628 0.5964 -0.0515 -0.0540 -0.1158 180 LYS A CB 1398 C CG . LYS A 180 ? 0.8475 0.3868 0.6596 -0.0599 -0.0684 -0.1167 180 LYS A CG 1399 C CD . LYS A 180 ? 0.9197 0.4206 0.7323 -0.0380 -0.0712 -0.1359 180 LYS A CD 1400 C CE . LYS A 180 ? 1.0257 0.4718 0.8163 -0.0477 -0.0837 -0.1467 180 LYS A CE 1401 N NZ . LYS A 180 ? 1.0721 0.4765 0.8572 -0.0568 -0.0998 -0.1293 180 LYS A NZ 1402 N N . SER A 181 ? 0.7428 0.3793 0.5502 -0.0968 -0.0585 -0.1026 181 SER A N 1403 C CA . SER A 181 ? 0.7604 0.3943 0.5543 -0.1194 -0.0674 -0.1025 181 SER A CA 1404 C C . SER A 181 ? 0.7276 0.3955 0.5377 -0.1339 -0.0708 -0.0832 181 SER A C 1405 O O . SER A 181 ? 0.7447 0.4030 0.5540 -0.1525 -0.0794 -0.0769 181 SER A O 1406 C CB . SER A 181 ? 0.7741 0.4176 0.5502 -0.1203 -0.0641 -0.1177 181 SER A CB 1407 O OG . SER A 181 ? 0.8188 0.4407 0.5744 -0.1384 -0.0741 -0.1260 181 SER A OG 1408 N N . ASP A 182 ? 0.6798 0.3870 0.5053 -0.1256 -0.0639 -0.0752 182 ASP A N 1409 C CA . ASP A 182 ? 0.6467 0.3885 0.4925 -0.1348 -0.0657 -0.0592 182 ASP A CA 1410 C C . ASP A 182 ? 0.6324 0.3693 0.4918 -0.1359 -0.0640 -0.0470 182 ASP A C 1411 O O . ASP A 182 ? 0.6307 0.3814 0.5005 -0.1524 -0.0676 -0.0376 182 ASP A O 1412 C CB . ASP A 182 ? 0.6229 0.4016 0.4804 -0.1235 -0.0593 -0.0546 182 ASP A CB 1413 C CG . ASP A 182 ? 0.6588 0.4522 0.5051 -0.1302 -0.0652 -0.0592 182 ASP A CG 1414 O OD1 . ASP A 182 ? 0.7039 0.4832 0.5347 -0.1444 -0.0743 -0.0664 182 ASP A OD1 1415 O OD2 . ASP A 182 ? 0.6808 0.4987 0.5323 -0.1220 -0.0617 -0.0548 182 ASP A OD2 1416 N N . LEU A 183 ? 0.6197 0.3382 0.4788 -0.1197 -0.0589 -0.0476 183 LEU A N 1417 C CA . LEU A 183 ? 0.6071 0.3177 0.4739 -0.1213 -0.0588 -0.0351 183 LEU A CA 1418 C C . LEU A 183 ? 0.6380 0.3166 0.4923 -0.1417 -0.0681 -0.0314 183 LEU A C 1419 O O . LEU A 183 ? 0.6267 0.3109 0.4863 -0.1550 -0.0683 -0.0186 183 LEU A O 1420 C CB . LEU A 183 ? 0.6092 0.3037 0.4774 -0.0994 -0.0550 -0.0371 183 LEU A CB 1421 C CG . LEU A 183 ? 0.5638 0.2942 0.4476 -0.0831 -0.0448 -0.0357 183 LEU A CG 1422 C CD1 . LEU A 183 ? 0.5672 0.2824 0.4533 -0.0622 -0.0422 -0.0421 183 LEU A CD1 1423 C CD2 . LEU A 183 ? 0.5249 0.2874 0.4248 -0.0893 -0.0410 -0.0204 183 LEU A CD2 1424 N N . GLU A 184 ? 0.6764 0.3209 0.5124 -0.1455 -0.0751 -0.0436 184 GLU A N 1425 C CA . GLU A 184 ? 0.7318 0.3379 0.5520 -0.1654 -0.0852 -0.0415 184 GLU A CA 1426 C C . GLU A 184 ? 0.7336 0.3522 0.5505 -0.1899 -0.0906 -0.0441 184 GLU A C 1427 O O . GLU A 184 ? 0.7708 0.3545 0.5712 -0.2079 -0.0997 -0.0462 184 GLU A O 1428 C CB . GLU A 184 ? 0.7859 0.3379 0.5877 -0.1530 -0.0914 -0.0543 184 GLU A CB 1429 C CG . GLU A 184 ? 0.8218 0.3601 0.6302 -0.1286 -0.0893 -0.0518 184 GLU A CG 1430 C CD . GLU A 184 ? 0.9330 0.4183 0.7284 -0.1134 -0.0970 -0.0666 184 GLU A CD 1431 O OE1 . GLU A 184 ? 0.9734 0.4330 0.7531 -0.1202 -0.1018 -0.0810 184 GLU A OE1 1432 O OE2 . GLU A 184 ? 0.9749 0.4450 0.7772 -0.0938 -0.0989 -0.0648 184 GLU A OE2 1433 N N . LYS A 185 ? 0.6987 0.3655 0.5316 -0.1911 -0.0867 -0.0437 185 LYS A N 1434 C CA . LYS A 185 ? 0.7084 0.3943 0.5440 -0.2143 -0.0939 -0.0448 185 LYS A CA 1435 C C . LYS A 185 ? 0.7083 0.3995 0.5520 -0.2392 -0.0958 -0.0331 185 LYS A C 1436 O O . LYS A 185 ? 0.6771 0.3800 0.5320 -0.2382 -0.0887 -0.0216 185 LYS A O 1437 C CB . LYS A 185 ? 0.6760 0.4130 0.5302 -0.2091 -0.0921 -0.0447 185 LYS A CB 1438 C CG . LYS A 185 ? 0.6610 0.4424 0.5449 -0.2078 -0.0851 -0.0319 185 LYS A CG 1439 C CD . LYS A 185 ? 0.7026 0.5307 0.6063 -0.2037 -0.0873 -0.0320 185 LYS A CD 1440 C CE . LYS A 185 ? 0.6655 0.5232 0.5899 -0.1859 -0.0773 -0.0244 185 LYS A CE 1441 N NZ . LYS A 185 ? 0.6710 0.5773 0.6270 -0.1925 -0.0795 -0.0199 185 LYS A NZ 1442 N N . GLN A 186 ? 0.5251 0.2701 0.7514 0.0406 -0.0506 0.0211 186 GLN A N 1443 C CA . GLN A 186 ? 0.5137 0.2737 0.7647 0.0254 -0.0859 0.0291 186 GLN A CA 1444 C C . GLN A 186 ? 0.5457 0.2927 0.7344 0.0242 -0.1047 0.0147 186 GLN A C 1445 O O . GLN A 186 ? 0.6087 0.3188 0.7418 0.0363 -0.1046 -0.0121 186 GLN A O 1446 C CB . GLN A 186 ? 0.5311 0.2705 0.8325 0.0259 -0.0973 0.0200 186 GLN A CB 1447 C CG . GLN A 186 ? 0.5062 0.2606 0.8824 0.0282 -0.0836 0.0403 186 GLN A CG 1448 C CD . GLN A 186 ? 0.4501 0.2520 0.8755 0.0132 -0.1007 0.0798 186 GLN A CD 1449 O OE1 . GLN A 186 ? 0.4249 0.2423 0.8414 0.0011 -0.1209 0.0898 186 GLN A OE1 1450 N NE2 . GLN A 186 ? 0.4012 0.2284 0.8771 0.0156 -0.0922 0.1030 186 GLN A NE2 1451 N N . GLU A 187 ? 0.5193 0.2976 0.7154 0.0115 -0.1209 0.0326 187 GLU A N 1452 C CA . GLU A 187 ? 0.5484 0.3214 0.7022 0.0104 -0.1407 0.0243 187 GLU A CA 1453 C C . GLU A 187 ? 0.5179 0.3143 0.7221 -0.0046 -0.1670 0.0361 187 GLU A C 1454 O O . GLU A 187 ? 0.4715 0.3027 0.7168 -0.0141 -0.1621 0.0609 187 GLU A O 1455 C CB . GLU A 187 ? 0.5478 0.3387 0.6715 0.0115 -0.1269 0.0375 187 GLU A CB 1456 C CG . GLU A 187 ? 0.6373 0.4080 0.7177 0.0257 -0.0958 0.0337 187 GLU A CG 1457 C CD . GLU A 187 ? 0.8112 0.5427 0.8155 0.0414 -0.0989 0.0144 187 GLU A CD 1458 O OE1 . GLU A 187 ? 0.8659 0.5825 0.8564 0.0410 -0.1304 -0.0033 187 GLU A OE1 1459 O OE2 . GLU A 187 ? 0.9004 0.6163 0.8586 0.0547 -0.0706 0.0182 187 GLU A OE2 1460 N N . LYS A 188 ? 0.5482 0.3269 0.7492 -0.0062 -0.1948 0.0190 188 LYS A N 1461 C CA . LYS A 188 ? 0.5301 0.3272 0.7960 -0.0207 -0.2174 0.0301 188 LYS A CA 1462 C C . LYS A 188 ? 0.4942 0.3274 0.7672 -0.0275 -0.2217 0.0494 188 LYS A C 1463 O O . LYS A 188 ? 0.5171 0.3455 0.7456 -0.0208 -0.2282 0.0405 188 LYS A O 1464 C CB . LYS A 188 ? 0.5824 0.3454 0.8570 -0.0209 -0.2498 -0.0004 188 LYS A CB 1465 C CG . LYS A 188 ? 0.6354 0.3588 0.9149 -0.0140 -0.2457 -0.0250 188 LYS A CG 1466 C CD . LYS A 188 ? 0.7451 0.4332 1.0399 -0.0163 -0.2842 -0.0624 188 LYS A CD 1467 C CE . LYS A 188 ? 0.8005 0.4494 1.1234 -0.0112 -0.2784 -0.0869 188 LYS A CE 1468 N NZ . LYS A 188 ? 0.9023 0.5112 1.2493 -0.0143 -0.3180 -0.1313 188 LYS A NZ 1469 N N . PRO A 189 ? 0.4562 0.3255 0.7860 -0.0390 -0.2166 0.0774 189 PRO A N 1470 C CA . PRO A 189 ? 0.4327 0.3347 0.7740 -0.0435 -0.2178 0.0916 189 PRO A CA 1471 C C . PRO A 189 ? 0.4536 0.3499 0.8274 -0.0477 -0.2482 0.0812 189 PRO A C 1472 O O . PRO A 189 ? 0.4857 0.3582 0.8892 -0.0517 -0.2698 0.0666 189 PRO A O 1473 C CB . PRO A 189 ? 0.4040 0.3422 0.7947 -0.0527 -0.2023 0.1240 189 PRO A CB 1474 C CG . PRO A 189 ? 0.4137 0.3342 0.8452 -0.0567 -0.2080 0.1277 189 PRO A CG 1475 C CD . PRO A 189 ? 0.4336 0.3139 0.8220 -0.0467 -0.2102 0.0989 189 PRO A CD 1476 N N . VAL A 190 ? 0.4383 0.3554 0.8117 -0.0462 -0.2516 0.0862 190 VAL A N 1477 C CA . VAL A 190 ? 0.4473 0.3736 0.8732 -0.0514 -0.2801 0.0842 190 VAL A CA 1478 C C . VAL A 190 ? 0.4033 0.3762 0.8773 -0.0564 -0.2566 0.1135 190 VAL A C 1479 O O . VAL A 190 ? 0.3823 0.3697 0.8172 -0.0498 -0.2306 0.1203 190 VAL A O 1480 C CB . VAL A 190 ? 0.4808 0.3903 0.8581 -0.0395 -0.3053 0.0648 190 VAL A CB 1481 C CG1 . VAL A 190 ? 0.4740 0.4053 0.9195 -0.0446 -0.3343 0.0688 190 VAL A CG1 1482 C CG2 . VAL A 190 ? 0.5422 0.4042 0.8563 -0.0311 -0.3274 0.0336 190 VAL A CG2 1483 N N . ALA A 191 ? 0.3872 0.3825 0.9478 -0.0676 -0.2630 0.1297 191 ALA A N 1484 C CA . ALA A 191 ? 0.3509 0.3922 0.9587 -0.0705 -0.2334 0.1599 191 ALA A CA 1485 C C . ALA A 191 ? 0.3505 0.4130 1.0288 -0.0723 -0.2502 0.1625 191 ALA A C 1486 O O . ALA A 191 ? 0.3634 0.4090 1.0777 -0.0766 -0.2911 0.1459 191 ALA A O 1487 C CB . ALA A 191 ? 0.3311 0.3901 0.9877 -0.0805 -0.2113 0.1906 191 ALA A CB 1488 N N . TRP A 192 ? 0.3343 0.4342 1.0326 -0.0677 -0.2195 0.1810 192 TRP A N 1489 C CA . TRP A 192 ? 0.3358 0.4657 1.1234 -0.0690 -0.2262 0.1912 192 TRP A CA 1490 C C . TRP A 192 ? 0.3294 0.5045 1.1498 -0.0661 -0.1748 0.2202 192 TRP A C 1491 O O . TRP A 192 ? 0.3285 0.5085 1.0805 -0.0601 -0.1399 0.2247 192 TRP A O 1492 C CB . TRP A 192 ? 0.3451 0.4638 1.1116 -0.0574 -0.2560 0.1698 192 TRP A CB 1493 C CG . TRP A 192 ? 0.3137 0.4345 1.0144 -0.0420 -0.2285 0.1655 192 TRP A CG 1494 C CD1 . TRP A 192 ? 0.2923 0.4427 1.0302 -0.0324 -0.2063 0.1741 192 TRP A CD1 1495 C CD2 . TRP A 192 ? 0.2876 0.3775 0.8864 -0.0344 -0.2216 0.1495 192 TRP A CD2 1496 N NE1 . TRP A 192 ? 0.2887 0.4253 0.9525 -0.0197 -0.1872 0.1621 192 TRP A NE1 1497 C CE2 . TRP A 192 ? 0.2844 0.3852 0.8653 -0.0218 -0.1966 0.1485 192 TRP A CE2 1498 C CE3 . TRP A 192 ? 0.3227 0.3769 0.8523 -0.0365 -0.2313 0.1359 192 TRP A CE3 1499 C CZ2 . TRP A 192 ? 0.2321 0.3090 0.7345 -0.0138 -0.1842 0.1352 192 TRP A CZ2 1500 C CZ3 . TRP A 192 ? 0.3108 0.3454 0.7621 -0.0277 -0.2156 0.1256 192 TRP A CZ3 1501 C CH2 . TRP A 192 ? 0.2885 0.3343 0.7293 -0.0175 -0.1937 0.1256 192 TRP A CH2 1502 N N . LEU A 193 ? 0.3254 0.5340 1.2503 -0.0695 -0.1710 0.2379 193 LEU A N 1503 C CA . LEU A 193 ? 0.3306 0.5847 1.2999 -0.0665 -0.1167 0.2694 193 LEU A CA 1504 C C . LEU A 193 ? 0.3326 0.6140 1.3408 -0.0531 -0.1021 0.2665 193 LEU A C 1505 O O . LEU A 193 ? 0.3297 0.6052 1.3822 -0.0512 -0.1421 0.2521 193 LEU A O 1506 C CB . LEU A 193 ? 0.3347 0.6116 1.4212 -0.0822 -0.1110 0.3032 193 LEU A CB 1507 C CG . LEU A 193 ? 0.3328 0.5828 1.4190 -0.0968 -0.1279 0.3106 193 LEU A CG 1508 C CD1 . LEU A 193 ? 0.3504 0.6240 1.5783 -0.1129 -0.1223 0.3458 193 LEU A CD1 1509 C CD2 . LEU A 193 ? 0.3373 0.5853 1.3264 -0.0907 -0.0909 0.3244 193 LEU A CD2 1510 N N . SER A 194 ? 0.3438 0.6554 1.3352 -0.0423 -0.0451 0.2804 194 SER A N 1511 C CA . SER A 194 ? 0.3534 0.6981 1.4038 -0.0286 -0.0170 0.2833 194 SER A CA 1512 C C . SER A 194 ? 0.3788 0.7636 1.4321 -0.0208 0.0541 0.3094 194 SER A C 1513 O O . SER A 194 ? 0.3930 0.7800 1.3994 -0.0265 0.0764 0.3286 194 SER A O 1514 C CB . SER A 194 ? 0.3516 0.6725 1.3332 -0.0128 -0.0283 0.2494 194 SER A CB 1515 O OG . SER A 194 ? 0.3422 0.6395 1.2022 -0.0092 -0.0134 0.2325 194 SER A OG 1516 N N . SER A 195 ? 0.3937 0.8096 1.4980 -0.0055 0.0907 0.3106 195 SER A N 1517 C CA . SER A 195 ? 0.4380 0.8910 1.5311 0.0068 0.1640 0.3300 195 SER A CA 1518 C C . SER A 195 ? 0.4640 0.9251 1.5412 0.0301 0.1962 0.3029 195 SER A C 1519 O O . SER A 195 ? 0.4477 0.8952 1.5651 0.0353 0.1633 0.2819 195 SER A O 1520 C CB . SER A 195 ? 0.4434 0.9408 1.6695 -0.0006 0.1940 0.3774 195 SER A CB 1521 O OG . SER A 195 ? 0.4168 0.9298 1.7816 -0.0031 0.1665 0.3787 195 SER A OG 1522 N N . VAL A 196 ? 0.5183 1.0000 1.5352 0.0455 0.2599 0.3032 196 VAL A N 1523 C CA . VAL A 196 ? 0.5541 1.0462 1.5666 0.0700 0.3021 0.2758 196 VAL A CA 1524 C C . VAL A 196 ? 0.6164 1.1566 1.6510 0.0857 0.3844 0.3003 196 VAL A C 1525 O O . VAL A 196 ? 0.6447 1.2029 1.6458 0.0796 0.4112 0.3342 196 VAL A O 1526 C CB . VAL A 196 ? 0.5692 1.0212 1.4486 0.0790 0.2915 0.2259 196 VAL A CB 1527 C CG1 . VAL A 196 ? 0.5300 0.9452 1.4347 0.0775 0.2358 0.1995 196 VAL A CG1 1528 C CG2 . VAL A 196 ? 0.5677 1.0010 1.3249 0.0672 0.2769 0.2257 196 VAL A CG2 1529 N N . PRO A 197 ? 0.6463 1.2076 1.7405 0.1077 0.4277 0.2865 197 PRO A N 1530 C CA . PRO A 197 ? 0.7107 1.3205 1.8336 0.1249 0.5133 0.3123 197 PRO A CA 1531 C C . PRO A 197 ? 0.7933 1.3990 1.7690 0.1479 0.5684 0.2786 197 PRO A C 1532 O O . PRO A 197 ? 0.8155 1.3985 1.6528 0.1420 0.5518 0.2665 197 PRO A O 1533 C CB . PRO A 197 ? 0.6962 1.3323 1.9768 0.1378 0.5300 0.3143 197 PRO A CB 1534 C CG . PRO A 197 ? 0.6561 1.2479 1.9258 0.1395 0.4686 0.2687 197 PRO A CG 1535 C CD . PRO A 197 ? 0.6207 1.1657 1.7761 0.1187 0.4030 0.2545 197 PRO A CD 1536 N N . GLN A 205 ? 0.6324 1.1836 1.4666 0.0642 0.4143 0.3742 205 GLN A N 1537 C CA . GLN A 205 ? 0.6233 1.1530 1.3966 0.0467 0.3761 0.3921 205 GLN A CA 1538 C C . GLN A 205 ? 0.5415 1.0334 1.3658 0.0252 0.2999 0.3784 205 GLN A C 1539 O O . GLN A 205 ? 0.5115 0.9838 1.3645 0.0265 0.2679 0.3424 205 GLN A O 1540 C CB . GLN A 205 ? 0.6709 1.1851 1.2769 0.0570 0.3787 0.3651 205 GLN A CB 1541 C CG . GLN A 205 ? 0.6942 1.1836 1.2319 0.0698 0.3670 0.2995 205 GLN A CG 1542 C CD . GLN A 205 ? 0.7564 1.2215 1.1517 0.0704 0.3418 0.2701 205 GLN A CD 1543 O OE1 . GLN A 205 ? 0.8236 1.3057 1.1377 0.0746 0.3611 0.2939 205 GLN A OE1 1544 N NE2 . GLN A 205 ? 0.7115 1.1385 1.0808 0.0666 0.2979 0.2213 205 GLN A NE2 1545 N N . LEU A 206 ? 0.5149 0.9963 1.3484 0.0073 0.2734 0.4087 206 LEU A N 1546 C CA . LEU A 206 ? 0.4533 0.8999 1.3353 -0.0122 0.2067 0.3985 206 LEU A CA 1547 C C . LEU A 206 ? 0.4435 0.8476 1.2077 -0.0140 0.1654 0.3620 206 LEU A C 1548 O O . LEU A 206 ? 0.4731 0.8778 1.1325 -0.0067 0.1824 0.3611 206 LEU A O 1549 C CB . LEU A 206 ? 0.4479 0.9024 1.4152 -0.0301 0.2027 0.4479 206 LEU A CB 1550 C CG . LEU A 206 ? 0.4440 0.9283 1.5768 -0.0387 0.2140 0.4786 206 LEU A CG 1551 C CD1 . LEU A 206 ? 0.4598 0.9925 1.6348 -0.0207 0.2820 0.4950 206 LEU A CD1 1552 C CD2 . LEU A 206 ? 0.4449 0.9327 1.6515 -0.0564 0.2149 0.5283 206 LEU A CD2 1553 N N . VAL A 207 ? 0.4014 0.7706 1.1848 -0.0227 0.1108 0.3332 207 VAL A N 1554 C CA . VAL A 207 ? 0.3871 0.7166 1.0734 -0.0228 0.0760 0.2974 207 VAL A CA 1555 C C . VAL A 207 ? 0.3612 0.6571 1.0764 -0.0387 0.0238 0.2951 207 VAL A C 1556 O O . VAL A 207 ? 0.3433 0.6322 1.1375 -0.0451 -0.0052 0.2910 207 VAL A O 1557 C CB . VAL A 207 ? 0.3767 0.6922 1.0365 -0.0107 0.0694 0.2559 207 VAL A CB 1558 C CG1 . VAL A 207 ? 0.3758 0.6529 0.9409 -0.0111 0.0411 0.2236 207 VAL A CG1 1559 C CG2 . VAL A 207 ? 0.4080 0.7541 1.0521 0.0066 0.1223 0.2512 207 VAL A CG2 1560 N N . CYS A 208 ? 0.3627 0.6385 1.0157 -0.0439 0.0110 0.2967 208 CYS A N 1561 C CA . CYS A 208 ? 0.3579 0.5962 1.0227 -0.0552 -0.0346 0.2858 208 CYS A CA 1562 C C . CYS A 208 ? 0.3432 0.5472 0.9225 -0.0497 -0.0576 0.2469 208 CYS A C 1563 O O . CYS A 208 ? 0.3638 0.5651 0.8699 -0.0458 -0.0481 0.2421 208 CYS A O 1564 C CB . CYS A 208 ? 0.3747 0.6117 1.0498 -0.0644 -0.0328 0.3173 208 CYS A CB 1565 S SG . CYS A 208 ? 0.3970 0.5861 1.1000 -0.0770 -0.0837 0.3012 208 CYS A SG 1566 N N . HIS A 209 ? 0.3214 0.5010 0.9136 -0.0489 -0.0883 0.2220 209 HIS A N 1567 C CA . HIS A 209 ? 0.3118 0.4598 0.8326 -0.0425 -0.1040 0.1912 209 HIS A CA 1568 C C . HIS A 209 ? 0.3109 0.4233 0.8098 -0.0492 -0.1331 0.1833 209 HIS A C 1569 O O . HIS A 209 ? 0.3242 0.4230 0.8689 -0.0559 -0.1596 0.1832 209 HIS A O 1570 C CB . HIS A 209 ? 0.3034 0.4425 0.8433 -0.0349 -0.1203 0.1742 209 HIS A CB 1571 C CG . HIS A 209 ? 0.3039 0.4763 0.8846 -0.0264 -0.0925 0.1802 209 HIS A CG 1572 N ND1 . HIS A 209 ? 0.3142 0.4845 0.8600 -0.0139 -0.0752 0.1621 209 HIS A ND1 1573 C CD2 . HIS A 209 ? 0.2887 0.4958 0.9516 -0.0276 -0.0773 0.2014 209 HIS A CD2 1574 C CE1 . HIS A 209 ? 0.3298 0.5311 0.9295 -0.0062 -0.0496 0.1694 209 HIS A CE1 1575 N NE2 . HIS A 209 ? 0.3096 0.5358 0.9810 -0.0141 -0.0488 0.1948 209 HIS A NE2 1576 N N . VAL A 210 ? 0.3073 0.4041 0.7410 -0.0467 -0.1291 0.1731 210 VAL A N 1577 C CA . VAL A 210 ? 0.3169 0.3808 0.7314 -0.0503 -0.1493 0.1648 210 VAL A CA 1578 C C . VAL A 210 ? 0.3237 0.3614 0.6761 -0.0423 -0.1522 0.1405 210 VAL A C 1579 O O . VAL A 210 ? 0.3219 0.3695 0.6397 -0.0390 -0.1347 0.1368 210 VAL A O 1580 C CB . VAL A 210 ? 0.3148 0.3892 0.7278 -0.0551 -0.1380 0.1859 210 VAL A CB 1581 C CG1 . VAL A 210 ? 0.3285 0.3683 0.7404 -0.0576 -0.1569 0.1774 210 VAL A CG1 1582 C CG2 . VAL A 210 ? 0.3201 0.4258 0.7927 -0.0615 -0.1243 0.2199 210 VAL A CG2 1583 N N . SER A 211 ? 0.3350 0.3388 0.6734 -0.0392 -0.1741 0.1243 211 SER A N 1584 C CA . SER A 211 ? 0.3501 0.3292 0.6351 -0.0300 -0.1723 0.1076 211 SER A CA 1585 C C . SER A 211 ? 0.3783 0.3183 0.6314 -0.0262 -0.1869 0.0940 211 SER A C 1586 O O . SER A 211 ? 0.4099 0.3359 0.6805 -0.0284 -0.2100 0.0882 211 SER A O 1587 C CB . SER A 211 ? 0.3480 0.3293 0.6373 -0.0225 -0.1775 0.1043 211 SER A CB 1588 O OG . SER A 211 ? 0.3660 0.3248 0.6107 -0.0132 -0.1709 0.0954 211 SER A OG 1589 N N . GLY A 212 ? 0.3745 0.2968 0.5851 -0.0201 -0.1723 0.0871 212 GLY A N 1590 C CA . GLY A 212 ? 0.4027 0.2879 0.5752 -0.0126 -0.1767 0.0741 212 GLY A CA 1591 C C . GLY A 212 ? 0.4043 0.2829 0.5845 -0.0152 -0.1661 0.0732 212 GLY A C 1592 O O . GLY A 212 ? 0.4401 0.2872 0.5916 -0.0072 -0.1643 0.0601 212 GLY A O 1593 N N . PHE A 213 ? 0.3639 0.2719 0.5802 -0.0239 -0.1581 0.0879 213 PHE A N 1594 C CA . PHE A 213 ? 0.3653 0.2702 0.6022 -0.0257 -0.1532 0.0924 213 PHE A CA 1595 C C . PHE A 213 ? 0.3518 0.2594 0.5781 -0.0219 -0.1339 0.0928 213 PHE A C 1596 O O . PHE A 213 ? 0.3496 0.2739 0.5662 -0.0230 -0.1250 0.0942 213 PHE A O 1597 C CB . PHE A 213 ? 0.3399 0.2727 0.6262 -0.0355 -0.1588 0.1144 213 PHE A CB 1598 C CG . PHE A 213 ? 0.3243 0.2974 0.6113 -0.0398 -0.1494 0.1310 213 PHE A CG 1599 C CD1 . PHE A 213 ? 0.3103 0.3025 0.5983 -0.0420 -0.1489 0.1341 213 PHE A CD1 1600 C CD2 . PHE A 213 ? 0.3223 0.3150 0.6098 -0.0402 -0.1422 0.1416 213 PHE A CD2 1601 C CE1 . PHE A 213 ? 0.2561 0.2829 0.5368 -0.0435 -0.1370 0.1440 213 PHE A CE1 1602 C CE2 . PHE A 213 ? 0.3258 0.3538 0.6020 -0.0426 -0.1372 0.1509 213 PHE A CE2 1603 C CZ . PHE A 213 ? 0.2932 0.3365 0.5617 -0.0437 -0.1324 0.1504 213 PHE A CZ 1604 N N . TYR A 214 ? 0.3673 0.2566 0.6041 -0.0171 -0.1279 0.0892 214 TYR A N 1605 C CA . TYR A 214 ? 0.3582 0.2536 0.6085 -0.0140 -0.1111 0.0928 214 TYR A CA 1606 C C . TYR A 214 ? 0.3667 0.2524 0.6561 -0.0109 -0.1112 0.0969 214 TYR A C 1607 O O . TYR A 214 ? 0.3895 0.2430 0.6734 -0.0056 -0.1147 0.0827 214 TYR A O 1608 C CB . TYR A 214 ? 0.3834 0.2543 0.5983 -0.0042 -0.0907 0.0799 214 TYR A CB 1609 C CG . TYR A 214 ? 0.3789 0.2651 0.6233 -0.0043 -0.0730 0.0862 214 TYR A CG 1610 C CD1 . TYR A 214 ? 0.3943 0.2747 0.6729 0.0017 -0.0605 0.0879 214 TYR A CD1 1611 C CD2 . TYR A 214 ? 0.3360 0.2434 0.5854 -0.0107 -0.0705 0.0889 214 TYR A CD2 1612 C CE1 . TYR A 214 ? 0.3832 0.2837 0.7065 0.0006 -0.0477 0.0955 214 TYR A CE1 1613 C CE2 . TYR A 214 ? 0.3394 0.2633 0.6295 -0.0131 -0.0602 0.0923 214 TYR A CE2 1614 C CZ . TYR A 214 ? 0.3807 0.3033 0.7101 -0.0077 -0.0497 0.0972 214 TYR A CZ 1615 O OH . TYR A 214 ? 0.3677 0.3104 0.7514 -0.0104 -0.0420 0.1017 214 TYR A OH 1616 N N . PRO A 215 ? 0.3383 0.2504 0.6698 -0.0132 -0.1098 0.1144 215 PRO A N 1617 C CA . PRO A 215 ? 0.3185 0.2683 0.6564 -0.0193 -0.1122 0.1253 215 PRO A CA 1618 C C . PRO A 215 ? 0.3125 0.2942 0.6425 -0.0284 -0.1287 0.1402 215 PRO A C 1619 O O . PRO A 215 ? 0.3179 0.2945 0.6478 -0.0310 -0.1357 0.1469 215 PRO A O 1620 C CB . PRO A 215 ? 0.3149 0.2783 0.7059 -0.0158 -0.1107 0.1381 215 PRO A CB 1621 C CG . PRO A 215 ? 0.3197 0.2618 0.7403 -0.0104 -0.1123 0.1443 215 PRO A CG 1622 C CD . PRO A 215 ? 0.3537 0.2565 0.7334 -0.0079 -0.1084 0.1216 215 PRO A CD 1623 N N . LYS A 216 ? 0.3200 0.3341 0.6462 -0.0326 -0.1338 0.1439 216 LYS A N 1624 C CA . LYS A 216 ? 0.3326 0.3787 0.6363 -0.0382 -0.1434 0.1526 216 LYS A CA 1625 C C . LYS A 216 ? 0.3478 0.4134 0.6641 -0.0395 -0.1522 0.1835 216 LYS A C 1626 O O . LYS A 216 ? 0.3627 0.4364 0.6635 -0.0422 -0.1491 0.1903 216 LYS A O 1627 C CB . LYS A 216 ? 0.3448 0.4190 0.6425 -0.0409 -0.1511 0.1448 216 LYS A CB 1628 C CG . LYS A 216 ? 0.3789 0.4638 0.6397 -0.0439 -0.1488 0.1267 216 LYS A CG 1629 C CD . LYS A 216 ? 0.4140 0.5255 0.6743 -0.0472 -0.1630 0.1136 216 LYS A CD 1630 C CE . LYS A 216 ? 0.4568 0.5755 0.6826 -0.0492 -0.1599 0.0883 216 LYS A CE 1631 N NZ . LYS A 216 ? 0.4936 0.6360 0.7179 -0.0532 -0.1793 0.0668 216 LYS A NZ 1632 N N . PRO A 217 ? 0.3443 0.4185 0.6963 -0.0369 -0.1609 0.2062 217 PRO A N 1633 C CA . PRO A 217 ? 0.3567 0.4480 0.7231 -0.0375 -0.1662 0.2428 217 PRO A CA 1634 C C . PRO A 217 ? 0.3613 0.4329 0.7378 -0.0412 -0.1576 0.2455 217 PRO A C 1635 O O . PRO A 217 ? 0.3583 0.3935 0.7534 -0.0409 -0.1551 0.2267 217 PRO A O 1636 C CB . PRO A 217 ? 0.3611 0.4481 0.7810 -0.0321 -0.1742 0.2638 217 PRO A CB 1637 C CG . PRO A 217 ? 0.3375 0.4354 0.7566 -0.0297 -0.1804 0.2438 217 PRO A CG 1638 C CD . PRO A 217 ? 0.3352 0.4097 0.7223 -0.0326 -0.1655 0.2055 217 PRO A CD 1639 N N . VAL A 218 ? 0.3722 0.4694 0.7348 -0.0442 -0.1532 0.2668 218 VAL A N 1640 C CA . VAL A 218 ? 0.3771 0.4649 0.7613 -0.0491 -0.1456 0.2721 218 VAL A CA 1641 C C . VAL A 218 ? 0.4016 0.5244 0.7925 -0.0501 -0.1360 0.3162 218 VAL A C 1642 O O . VAL A 218 ? 0.4099 0.5665 0.7577 -0.0455 -0.1336 0.3317 218 VAL A O 1643 C CB . VAL A 218 ? 0.3676 0.4448 0.7221 -0.0504 -0.1408 0.2367 218 VAL A CB 1644 C CG1 . VAL A 218 ? 0.3826 0.4928 0.6901 -0.0485 -0.1306 0.2334 218 VAL A CG1 1645 C CG2 . VAL A 218 ? 0.3747 0.4348 0.7670 -0.0554 -0.1419 0.2353 218 VAL A CG2 1646 N N . TRP A 219 ? 0.4132 0.5273 0.8591 -0.0557 -0.1305 0.3364 219 TRP A N 1647 C CA . TRP A 219 ? 0.4345 0.5800 0.8985 -0.0567 -0.1138 0.3845 219 TRP A CA 1648 C C . TRP A 219 ? 0.4312 0.5777 0.9310 -0.0637 -0.1012 0.3812 219 TRP A C 1649 O O . TRP A 219 ? 0.4202 0.5378 0.9823 -0.0714 -0.1119 0.3698 219 TRP A O 1650 C CB . TRP A 219 ? 0.4455 0.5834 0.9698 -0.0571 -0.1183 0.4269 219 TRP A CB 1651 C CG . TRP A 219 ? 0.4896 0.6600 1.0313 -0.0558 -0.0989 0.4883 219 TRP A CG 1652 C CD1 . TRP A 219 ? 0.5250 0.7294 1.0204 -0.0459 -0.0948 0.5289 219 TRP A CD1 1653 C CD2 . TRP A 219 ? 0.4929 0.6649 1.1081 -0.0639 -0.0811 0.5207 219 TRP A CD2 1654 N NE1 . TRP A 219 ? 0.5515 0.7779 1.0768 -0.0455 -0.0709 0.5880 219 TRP A NE1 1655 C CE2 . TRP A 219 ? 0.5439 0.7515 1.1506 -0.0574 -0.0598 0.5853 219 TRP A CE2 1656 C CE3 . TRP A 219 ? 0.4633 0.6118 1.1530 -0.0758 -0.0827 0.5020 219 TRP A CE3 1657 C CZ2 . TRP A 219 ? 0.5678 0.7881 1.2458 -0.0629 -0.0329 0.6364 219 TRP A CZ2 1658 C CZ3 . TRP A 219 ? 0.5125 0.6745 1.2823 -0.0833 -0.0618 0.5479 219 TRP A CZ3 1659 C CH2 . TRP A 219 ? 0.5464 0.7438 1.3132 -0.0770 -0.0337 0.6167 219 TRP A CH2 1660 N N . VAL A 220 ? 0.4425 0.6227 0.9039 -0.0599 -0.0800 0.3873 220 VAL A N 1661 C CA . VAL A 220 ? 0.4347 0.6234 0.9366 -0.0645 -0.0652 0.3863 220 VAL A CA 1662 C C . VAL A 220 ? 0.4767 0.7062 0.9889 -0.0615 -0.0311 0.4379 220 VAL A C 1663 O O . VAL A 220 ? 0.5095 0.7685 0.9467 -0.0509 -0.0136 0.4466 220 VAL A O 1664 C CB . VAL A 220 ? 0.4228 0.6130 0.8760 -0.0599 -0.0638 0.3418 220 VAL A CB 1665 C CG1 . VAL A 220 ? 0.3954 0.5923 0.9085 -0.0641 -0.0543 0.3403 220 VAL A CG1 1666 C CG2 . VAL A 220 ? 0.3889 0.5414 0.8156 -0.0599 -0.0913 0.2969 220 VAL A CG2 1667 N N . MET A 221 ? 0.4805 0.7114 1.0852 -0.0702 -0.0209 0.4721 221 MET A N 1668 C CA . MET A 221 ? 0.5251 0.7958 1.1491 -0.0668 0.0193 0.5280 221 MET A CA 1669 C C . MET A 221 ? 0.5108 0.7900 1.2358 -0.0762 0.0352 0.5382 221 MET A C 1670 O O . MET A 221 ? 0.4785 0.7287 1.2907 -0.0896 0.0086 0.5227 221 MET A O 1671 C CB . MET A 221 ? 0.5657 0.8390 1.2157 -0.0667 0.0241 0.5870 221 MET A CB 1672 C CG . MET A 221 ? 0.6345 0.9254 1.1789 -0.0523 0.0231 0.6015 221 MET A CG 1673 S SD . MET A 221 ? 0.7491 1.0952 1.1954 -0.0349 0.0686 0.6327 221 MET A SD 1674 C CE . MET A 221 ? 0.7443 1.1115 1.2979 -0.0407 0.1163 0.6948 221 MET A CE 1675 N N . TRP A 222 ? 0.5427 0.8630 1.2579 -0.0683 0.0788 0.5637 222 TRP A N 1676 C CA . TRP A 222 ? 0.5390 0.8783 1.3679 -0.0764 0.1036 0.5901 222 TRP A CA 1677 C C . TRP A 222 ? 0.5757 0.9232 1.4848 -0.0832 0.1243 0.6605 222 TRP A C 1678 O O . TRP A 222 ? 0.6231 0.9856 1.4708 -0.0730 0.1452 0.7044 222 TRP A O 1679 C CB . TRP A 222 ? 0.5590 0.9392 1.3555 -0.0632 0.1485 0.5890 222 TRP A CB 1680 C CG . TRP A 222 ? 0.5107 0.8798 1.2873 -0.0605 0.1277 0.5250 222 TRP A CG 1681 C CD1 . TRP A 222 ? 0.5242 0.8859 1.1890 -0.0485 0.1193 0.4796 222 TRP A CD1 1682 C CD2 . TRP A 222 ? 0.4779 0.8424 1.3555 -0.0695 0.1111 0.5030 222 TRP A CD2 1683 N NE1 . TRP A 222 ? 0.4761 0.8266 1.1652 -0.0487 0.1020 0.4345 222 TRP A NE1 1684 C CE2 . TRP A 222 ? 0.4575 0.8108 1.2719 -0.0605 0.0948 0.4483 222 TRP A CE2 1685 C CE3 . TRP A 222 ? 0.4620 0.8309 1.4832 -0.0846 0.1048 0.5243 222 TRP A CE3 1686 C CZ2 . TRP A 222 ? 0.4270 0.7747 1.3098 -0.0638 0.0724 0.4190 222 TRP A CZ2 1687 C CZ3 . TRP A 222 ? 0.4212 0.7864 1.5112 -0.0891 0.0782 0.4899 222 TRP A CZ3 1688 C CH2 . TRP A 222 ? 0.4182 0.7735 1.4350 -0.0776 0.0624 0.4401 222 TRP A CH2 1689 N N . MET A 223 ? 0.5576 0.8938 1.6079 -0.1006 0.1146 0.6712 223 MET A N 1690 C CA . MET A 223 ? 0.5826 0.9195 1.7403 -0.1108 0.1311 0.7365 223 MET A CA 1691 C C . MET A 223 ? 0.5833 0.9475 1.8789 -0.1214 0.1606 0.7653 223 MET A C 1692 O O . MET A 223 ? 0.5444 0.9052 1.8946 -0.1294 0.1378 0.7206 223 MET A O 1693 C CB . MET A 223 ? 0.5623 0.8462 1.7912 -0.1266 0.0790 0.7142 223 MET A CB 1694 C CG . MET A 223 ? 0.5306 0.7775 1.6550 -0.1200 0.0368 0.6623 223 MET A CG 1695 S SD . MET A 223 ? 0.6125 0.8626 1.6560 -0.1060 0.0490 0.7118 223 MET A SD 1696 C CE . MET A 223 ? 0.5949 0.8424 1.7894 -0.1175 0.0712 0.7943 223 MET A CE 1697 N N . ARG A 224 ? 0.6326 1.0253 1.9905 -0.1211 0.2108 0.8431 224 ARG A N 1698 C CA . ARG A 224 ? 0.6341 1.0400 2.1744 -0.1389 0.2282 0.8781 224 ARG A CA 1699 C C . ARG A 224 ? 0.6552 1.0264 2.2941 -0.1542 0.2099 0.9163 224 ARG A C 1700 O O . ARG A 224 ? 0.7049 1.0880 2.3356 -0.1470 0.2484 0.9895 224 ARG A O 1701 C CB . ARG A 224 ? 0.6782 1.1436 2.2411 -0.1277 0.3071 0.9411 224 ARG A CB 1702 C CG . ARG A 224 ? 0.6846 1.1685 2.4594 -0.1473 0.3327 0.9908 224 ARG A CG 1703 C CD . ARG A 224 ? 0.7140 1.2601 2.5124 -0.1336 0.4195 1.0531 224 ARG A CD 1704 N NE . ARG A 224 ? 0.6761 1.2500 2.4685 -0.1262 0.4269 1.0040 224 ARG A NE 1705 C CZ . ARG A 224 ? 0.6748 1.2643 2.3050 -0.1018 0.4451 0.9690 224 ARG A CZ 1706 N NH1 . ARG A 224 ? 0.7098 1.2928 2.1636 -0.0831 0.4546 0.9746 224 ARG A NH1 1707 N NH2 . ARG A 224 ? 0.6325 1.2442 2.2846 -0.0959 0.4513 0.9277 224 ARG A NH2 1708 N N . GLY A 225 ? 0.6214 0.9466 2.3433 -0.1731 0.1487 0.8636 225 GLY A N 1709 C CA . GLY A 225 ? 0.6379 0.9214 2.4704 -0.1890 0.1248 0.8846 225 GLY A CA 1710 C C . GLY A 225 ? 0.6539 0.9055 2.3855 -0.1775 0.1097 0.8893 225 GLY A C 1711 O O . GLY A 225 ? 0.6266 0.8428 2.2765 -0.1740 0.0628 0.8224 225 GLY A O 1712 N N . ASP A 226 ? 0.7061 0.9722 2.4495 -0.1704 0.1510 0.9728 226 ASP A N 1713 C CA . ASP A 226 ? 0.7290 0.9694 2.4024 -0.1588 0.1381 0.9922 226 ASP A CA 1714 C C . ASP A 226 ? 0.7405 1.0173 2.2259 -0.1328 0.1613 1.0057 226 ASP A C 1715 O O . ASP A 226 ? 0.7495 1.0121 2.1500 -0.1202 0.1435 1.0095 226 ASP A O 1716 C CB . ASP A 226 ? 0.7872 1.0214 2.5868 -0.1644 0.1667 1.0841 226 ASP A CB 1717 C CG . ASP A 226 ? 0.8271 1.0789 2.8059 -0.1840 0.1994 1.1272 226 ASP A CG 1718 O OD1 . ASP A 226 ? 0.8250 1.0552 2.9140 -0.2051 0.1650 1.0704 226 ASP A OD1 1719 O OD2 . ASP A 226 ? 0.9061 1.1947 2.9205 -0.1781 0.2598 1.2207 226 ASP A OD2 1720 N N . GLN A 227 ? 0.7438 1.0680 2.1719 -0.1243 0.2001 1.0110 227 GLN A N 1721 C CA . GLN A 227 ? 0.7915 1.1577 2.0623 -0.0993 0.2370 1.0440 227 GLN A CA 1722 C C . GLN A 227 ? 0.7573 1.1338 1.8845 -0.0878 0.2209 0.9674 227 GLN A C 1723 O O . GLN A 227 ? 0.7209 1.1072 1.8722 -0.0932 0.2248 0.9243 227 GLN A O 1724 C CB . GLN A 227 ? 0.8592 1.2745 2.1711 -0.0931 0.3103 1.1286 227 GLN A CB 1725 C CG . GLN A 227 ? 0.9277 1.3372 2.3539 -0.0982 0.3352 1.2256 227 GLN A CG 1726 C CD . GLN A 227 ? 1.0030 1.4578 2.5096 -0.0967 0.4118 1.3105 227 GLN A CD 1727 O OE1 . GLN A 227 ? 1.0419 1.5417 2.4667 -0.0816 0.4581 1.3138 227 GLN A OE1 1728 N NE2 . GLN A 227 ? 1.0205 1.4620 2.6944 -0.1117 0.4283 1.3796 227 GLN A NE2 1729 N N . GLU A 228 ? 0.7646 1.1388 1.7530 -0.0720 0.2014 0.9535 228 GLU A N 1730 C CA . GLU A 228 ? 0.7407 1.1220 1.5909 -0.0606 0.1849 0.8852 228 GLU A CA 1731 C C . GLU A 228 ? 0.7892 1.2207 1.5511 -0.0433 0.2379 0.9027 228 GLU A C 1732 O O . GLU A 228 ? 0.8633 1.3261 1.5951 -0.0306 0.2803 0.9735 228 GLU A O 1733 C CB . GLU A 228 ? 0.7476 1.1139 1.4954 -0.0501 0.1474 0.8719 228 GLU A CB 1734 C CG . GLU A 228 ? 0.7058 1.0216 1.5297 -0.0628 0.0991 0.8502 228 GLU A CG 1735 C CD . GLU A 228 ? 0.7253 1.0320 1.4648 -0.0510 0.0663 0.8455 228 GLU A CD 1736 O OE1 . GLU A 228 ? 0.7073 0.9829 1.5179 -0.0556 0.0435 0.8622 228 GLU A OE1 1737 O OE2 . GLU A 228 ? 0.7321 1.0620 1.3445 -0.0372 0.0619 0.8228 228 GLU A OE2 1738 N N . GLN A 229 ? 0.7536 1.1914 1.4704 -0.0406 0.2375 0.8392 229 GLN A N 1739 C CA . GLN A 229 ? 0.8063 1.2879 1.4419 -0.0223 0.2901 0.8464 229 GLN A CA 1740 C C . GLN A 229 ? 0.8563 1.3496 1.3165 -0.0018 0.2824 0.8229 229 GLN A C 1741 O O . GLN A 229 ? 0.8150 1.2851 1.2183 -0.0033 0.2381 0.7563 229 GLN A O 1742 C CB . GLN A 229 ? 0.7573 1.2425 1.4423 -0.0271 0.2984 0.7937 229 GLN A CB 1743 C CG . GLN A 229 ? 0.7114 1.1947 1.5733 -0.0461 0.3068 0.8158 229 GLN A CG 1744 C CD . GLN A 229 ? 0.7569 1.2758 1.6889 -0.0434 0.3691 0.9031 229 GLN A CD 1745 O OE1 . GLN A 229 ? 0.7537 1.2598 1.7801 -0.0562 0.3641 0.9544 229 GLN A OE1 1746 N NE2 . GLN A 229 ? 0.8102 1.3727 1.6983 -0.0256 0.4317 0.9218 229 GLN A NE2 1747 N N . GLN A 230 ? 0.9556 1.4854 1.3325 0.0173 0.3254 0.8785 230 GLN A N 1748 C CA . GLN A 230 ? 1.0275 1.5749 1.2302 0.0391 0.3204 0.8569 230 GLN A CA 1749 C C . GLN A 230 ? 0.9923 1.5310 1.1306 0.0420 0.3032 0.7643 230 GLN A C 1750 O O . GLN A 230 ? 0.9817 1.5042 1.0397 0.0436 0.2558 0.7155 230 GLN A O 1751 C CB . GLN A 230 ? 1.1479 1.7416 1.2699 0.0626 0.3864 0.9192 230 GLN A CB 1752 C CG . GLN A 230 ? 1.2459 1.8536 1.3043 0.0749 0.3837 0.9955 230 GLN A CG 1753 C CD . GLN A 230 ? 1.3949 2.0488 1.3795 0.0993 0.4581 1.0662 230 GLN A CD 1754 O OE1 . GLN A 230 ? 1.4669 2.1455 1.3471 0.1180 0.4951 1.0337 230 GLN A OE1 1755 N NE2 . GLN A 230 ? 1.4459 2.1100 1.4857 0.1005 0.4833 1.1644 230 GLN A NE2 1756 N N . GLY A 231 ? 0.9748 1.5239 1.1636 0.0421 0.3418 0.7432 231 GLY A N 1757 C CA . GLY A 231 ? 0.9687 1.5171 1.0930 0.0511 0.3438 0.6674 231 GLY A CA 1758 C C . GLY A 231 ? 0.8810 1.3897 1.0268 0.0374 0.2865 0.5926 231 GLY A C 1759 O O . GLY A 231 ? 0.8876 1.3925 0.9656 0.0462 0.2828 0.5312 231 GLY A O 1760 N N . THR A 232 ? 0.8064 1.2840 1.0453 0.0172 0.2445 0.5972 232 THR A N 1761 C CA . THR A 232 ? 0.7311 1.1697 0.9907 0.0051 0.1933 0.5332 232 THR A CA 1762 C C . THR A 232 ? 0.7559 1.1871 0.8954 0.0147 0.1684 0.4774 232 THR A C 1763 O O . THR A 232 ? 0.8018 1.2427 0.8571 0.0223 0.1556 0.4910 232 THR A O 1764 C CB . THR A 232 ? 0.6750 1.0806 1.0127 -0.0129 0.1499 0.5482 232 THR A CB 1765 O OG1 . THR A 232 ? 0.6494 1.0574 1.1118 -0.0242 0.1676 0.5894 232 THR A OG1 1766 C CG2 . THR A 232 ? 0.5978 0.9643 0.9454 -0.0222 0.1040 0.4854 232 THR A CG2 1767 N N . HIS A 233 ? 0.7234 1.1388 0.8633 0.0147 0.1608 0.4174 233 HIS A N 1768 C CA . HIS A 233 ? 0.7476 1.1522 0.7961 0.0214 0.1384 0.3593 233 HIS A CA 1769 C C . HIS A 233 ? 0.6662 1.0297 0.7578 0.0078 0.0937 0.3170 233 HIS A C 1770 O O . HIS A 233 ? 0.6178 0.9658 0.7645 0.0046 0.0960 0.2909 233 HIS A O 1771 C CB . HIS A 233 ? 0.7992 1.2209 0.8014 0.0377 0.1776 0.3246 233 HIS A CB 1772 C CG . HIS A 233 ? 0.8753 1.2906 0.7753 0.0465 0.1590 0.2678 233 HIS A CG 1773 N ND1 . HIS A 233 ? 0.8567 1.2390 0.7599 0.0364 0.1130 0.2219 233 HIS A ND1 1774 C CD2 . HIS A 233 ? 0.9831 1.4201 0.7782 0.0646 0.1806 0.2472 233 HIS A CD2 1775 C CE1 . HIS A 233 ? 0.9111 1.2953 0.7278 0.0455 0.1042 0.1763 233 HIS A CE1 1776 N NE2 . HIS A 233 ? 1.0064 1.4225 0.7514 0.0630 0.1423 0.1870 233 HIS A NE2 1777 N N . ARG A 234 ? 0.6571 1.0051 0.7241 0.0016 0.0548 0.3145 234 ARG A N 1778 C CA . ARG A 234 ? 0.6022 0.9130 0.6945 -0.0085 0.0163 0.2769 234 ARG A CA 1779 C C . ARG A 234 ? 0.5970 0.8987 0.6414 -0.0031 0.0119 0.2180 234 ARG A C 1780 O O . ARG A 234 ? 0.6525 0.9705 0.6206 0.0052 0.0113 0.1997 234 ARG A O 1781 C CB . ARG A 234 ? 0.6083 0.9122 0.6925 -0.0137 -0.0161 0.2967 234 ARG A CB 1782 C CG . ARG A 234 ? 0.6262 0.9000 0.7119 -0.0202 -0.0517 0.2572 234 ARG A CG 1783 C CD . ARG A 234 ? 0.7170 0.9964 0.7835 -0.0206 -0.0801 0.2741 234 ARG A CD 1784 N NE . ARG A 234 ? 0.8224 1.1174 0.8198 -0.0151 -0.0972 0.2445 234 ARG A NE 1785 C CZ . ARG A 234 ? 0.8260 1.1034 0.8212 -0.0190 -0.1151 0.1961 234 ARG A CZ 1786 N NH1 . ARG A 234 ? 0.7613 1.0047 0.8085 -0.0263 -0.1145 0.1753 234 ARG A NH1 1787 N NH2 . ARG A 234 ? 0.8665 1.1601 0.8074 -0.0154 -0.1346 0.1688 234 ARG A NH2 1788 N N . GLY A 235 ? 0.5409 0.8158 0.6309 -0.0073 0.0074 0.1884 235 GLY A N 1789 C CA . GLY A 235 ? 0.5281 0.7867 0.5914 -0.0038 0.0014 0.1357 235 GLY A CA 1790 C C . GLY A 235 ? 0.5074 0.7458 0.5542 -0.0112 -0.0342 0.1154 235 GLY A C 1791 O O . GLY A 235 ? 0.4882 0.7288 0.5366 -0.0168 -0.0534 0.1410 235 GLY A O 1792 N N . ASP A 236 ? 0.5033 0.7223 0.5443 -0.0110 -0.0415 0.0714 236 ASP A N 1793 C CA . ASP A 236 ? 0.4902 0.6906 0.5327 -0.0189 -0.0714 0.0527 236 ASP A CA 1794 C C . ASP A 236 ? 0.4242 0.5934 0.5216 -0.0261 -0.0803 0.0654 236 ASP A C 1795 O O . ASP A 236 ? 0.3963 0.5532 0.5253 -0.0244 -0.0683 0.0727 236 ASP A O 1796 C CB . ASP A 236 ? 0.5248 0.7136 0.5534 -0.0171 -0.0737 0.0020 236 ASP A CB 1797 C CG . ASP A 236 ? 0.6147 0.8311 0.5758 -0.0088 -0.0704 -0.0215 236 ASP A CG 1798 O OD1 . ASP A 236 ? 0.6822 0.9289 0.5982 -0.0044 -0.0701 0.0055 236 ASP A OD1 1799 O OD2 . ASP A 236 ? 0.6773 0.8836 0.6280 -0.0057 -0.0682 -0.0682 236 ASP A OD2 1800 N N . PHE A 237 ? 0.4013 0.5591 0.5095 -0.0325 -0.1015 0.0674 237 PHE A N 1801 C CA . PHE A 237 ? 0.3626 0.4874 0.5102 -0.0364 -0.1061 0.0718 237 PHE A CA 1802 C C . PHE A 237 ? 0.3527 0.4515 0.5127 -0.0353 -0.0999 0.0423 237 PHE A C 1803 O O . PHE A 237 ? 0.3728 0.4719 0.5281 -0.0371 -0.1044 0.0155 237 PHE A O 1804 C CB . PHE A 237 ? 0.3561 0.4770 0.5165 -0.0412 -0.1237 0.0804 237 PHE A CB 1805 C CG . PHE A 237 ? 0.3916 0.5264 0.5582 -0.0416 -0.1300 0.1154 237 PHE A CG 1806 C CD1 . PHE A 237 ? 0.3833 0.4972 0.5793 -0.0423 -0.1274 0.1333 237 PHE A CD1 1807 C CD2 . PHE A 237 ? 0.4518 0.6185 0.5962 -0.0406 -0.1416 0.1301 237 PHE A CD2 1808 C CE1 . PHE A 237 ? 0.4073 0.5292 0.6217 -0.0431 -0.1328 0.1644 237 PHE A CE1 1809 C CE2 . PHE A 237 ? 0.4785 0.6559 0.6371 -0.0399 -0.1465 0.1686 237 PHE A CE2 1810 C CZ . PHE A 237 ? 0.4352 0.5887 0.6348 -0.0418 -0.1406 0.1854 237 PHE A CZ 1811 N N . LEU A 238 ? 0.3146 0.3908 0.4946 -0.0321 -0.0924 0.0483 238 LEU A N 1812 C CA . LEU A 238 ? 0.3193 0.3698 0.5138 -0.0285 -0.0849 0.0299 238 LEU A CA 1813 C C . LEU A 238 ? 0.3009 0.3199 0.5068 -0.0286 -0.0893 0.0412 238 LEU A C 1814 O O . LEU A 238 ? 0.2971 0.3117 0.5012 -0.0285 -0.0960 0.0593 238 LEU A O 1815 C CB . LEU A 238 ? 0.3214 0.3753 0.5263 -0.0207 -0.0724 0.0292 238 LEU A CB 1816 C CG . LEU A 238 ? 0.3407 0.4281 0.5310 -0.0169 -0.0589 0.0225 238 LEU A CG 1817 C CD1 . LEU A 238 ? 0.3587 0.4474 0.5761 -0.0075 -0.0428 0.0212 238 LEU A CD1 1818 C CD2 . LEU A 238 ? 0.3497 0.4483 0.5118 -0.0175 -0.0575 -0.0075 238 LEU A CD2 1819 N N . PRO A 239 ? 0.3073 0.3037 0.5254 -0.0285 -0.0841 0.0300 239 PRO A N 1820 C CA . PRO A 239 ? 0.3019 0.2692 0.5210 -0.0258 -0.0818 0.0436 239 PRO A CA 1821 C C . PRO A 239 ? 0.3241 0.2673 0.5358 -0.0158 -0.0792 0.0537 239 PRO A C 1822 O O . PRO A 239 ? 0.3277 0.2702 0.5514 -0.0110 -0.0750 0.0484 239 PRO A O 1823 C CB . PRO A 239 ? 0.2991 0.2551 0.5426 -0.0297 -0.0731 0.0327 239 PRO A CB 1824 C CG . PRO A 239 ? 0.3307 0.2956 0.5886 -0.0312 -0.0712 0.0091 239 PRO A CG 1825 C CD . PRO A 239 ? 0.3187 0.3160 0.5524 -0.0318 -0.0799 0.0045 239 PRO A CD 1826 N N . ASN A 240 ? 0.3372 0.2606 0.5290 -0.0113 -0.0830 0.0670 240 ASN A N 1827 C CA . ASN A 240 ? 0.3740 0.2699 0.5469 0.0000 -0.0843 0.0775 240 ASN A CA 1828 C C . ASN A 240 ? 0.4069 0.2741 0.5717 0.0056 -0.0653 0.0849 240 ASN A C 1829 O O . ASN A 240 ? 0.3964 0.2654 0.5749 -0.0003 -0.0530 0.0816 240 ASN A O 1830 C CB . ASN A 240 ? 0.3853 0.2757 0.5339 0.0029 -0.1027 0.0831 240 ASN A CB 1831 C CG . ASN A 240 ? 0.3871 0.3038 0.5582 -0.0015 -0.1187 0.0826 240 ASN A CG 1832 O OD1 . ASN A 240 ? 0.4204 0.3488 0.6124 0.0010 -0.1177 0.0825 240 ASN A OD1 1833 N ND2 . ASN A 240 ? 0.3845 0.3100 0.5599 -0.0075 -0.1304 0.0838 240 ASN A ND2 1834 N N . ALA A 241 ? 0.4348 0.2775 0.5827 0.0178 -0.0619 0.0985 241 ALA A N 1835 C CA . ALA A 241 ? 0.4737 0.2892 0.6163 0.0246 -0.0376 0.1130 241 ALA A CA 1836 C C . ALA A 241 ? 0.5040 0.3026 0.6072 0.0301 -0.0259 0.1201 241 ALA A C 1837 O O . ALA A 241 ? 0.5363 0.3195 0.6478 0.0330 0.0023 0.1318 241 ALA A O 1838 C CB . ALA A 241 ? 0.5101 0.3034 0.6435 0.0388 -0.0359 0.1330 241 ALA A CB 1839 N N . ASP A 242 ? 0.5188 0.3191 0.5864 0.0320 -0.0447 0.1124 242 ASP A N 1840 C CA . ASP A 242 ? 0.5668 0.3479 0.5934 0.0399 -0.0336 0.1126 242 ASP A CA 1841 C C . ASP A 242 ? 0.5320 0.3310 0.5941 0.0288 -0.0282 0.1007 242 ASP A C 1842 O O . ASP A 242 ? 0.5672 0.3548 0.6056 0.0341 -0.0260 0.0945 242 ASP A O 1843 C CB . ASP A 242 ? 0.6073 0.3745 0.5774 0.0494 -0.0615 0.1059 242 ASP A CB 1844 C CG . ASP A 242 ? 0.6067 0.3994 0.6084 0.0367 -0.0933 0.0910 242 ASP A CG 1845 O OD1 . ASP A 242 ? 0.5950 0.4163 0.6483 0.0240 -0.0933 0.0899 242 ASP A OD1 1846 O OD2 . ASP A 242 ? 0.6574 0.4413 0.6337 0.0397 -0.1176 0.0801 242 ASP A OD2 1847 N N . GLU A 243 ? 0.4869 0.3137 0.6053 0.0146 -0.0289 0.0959 243 GLU A N 1848 C CA . GLU A 243 ? 0.4543 0.3029 0.6109 0.0048 -0.0287 0.0889 243 GLU A CA 1849 C C . GLU A 243 ? 0.4365 0.2962 0.5856 0.0017 -0.0521 0.0824 243 GLU A C 1850 O O . GLU A 243 ? 0.4530 0.3114 0.6120 0.0028 -0.0488 0.0811 243 GLU A O 1851 C CB . GLU A 243 ? 0.4718 0.3082 0.6458 0.0098 0.0022 0.0958 243 GLU A CB 1852 C CG . GLU A 243 ? 0.5091 0.3425 0.7208 0.0071 0.0250 0.1047 243 GLU A CG 1853 C CD . GLU A 243 ? 0.5502 0.3870 0.8161 0.0055 0.0535 0.1116 243 GLU A CD 1854 O OE1 . GLU A 243 ? 0.4856 0.3380 0.8174 -0.0063 0.0561 0.1094 243 GLU A OE1 1855 O OE2 . GLU A 243 ? 0.5651 0.3888 0.8129 0.0165 0.0733 0.1169 243 GLU A OE2 1856 N N . THR A 244 ? 0.4121 0.2818 0.5528 -0.0012 -0.0735 0.0803 244 THR A N 1857 C CA . THR A 244 ? 0.3900 0.2756 0.5420 -0.0073 -0.0935 0.0790 244 THR A CA 1858 C C . THR A 244 ? 0.3596 0.2789 0.5355 -0.0165 -0.1002 0.0802 244 THR A C 1859 O O . THR A 244 ? 0.3240 0.2480 0.5046 -0.0170 -0.0917 0.0762 244 THR A O 1860 C CB . THR A 244 ? 0.4153 0.2831 0.5416 -0.0019 -0.1122 0.0755 244 THR A CB 1861 O OG1 . THR A 244 ? 0.4072 0.2758 0.5230 0.0012 -0.1191 0.0777 244 THR A OG1 1862 C CG2 . THR A 244 ? 0.4491 0.2798 0.5351 0.0101 -0.1064 0.0676 244 THR A CG2 1863 N N . TRP A 245 ? 0.3499 0.2910 0.5417 -0.0227 -0.1129 0.0859 245 TRP A N 1864 C CA . TRP A 245 ? 0.3475 0.3221 0.5515 -0.0287 -0.1145 0.0882 245 TRP A CA 1865 C C . TRP A 245 ? 0.3485 0.3334 0.5597 -0.0289 -0.1216 0.0938 245 TRP A C 1866 O O . TRP A 245 ? 0.3674 0.3377 0.5838 -0.0276 -0.1333 0.0972 245 TRP A O 1867 C CB . TRP A 245 ? 0.3333 0.3340 0.5516 -0.0347 -0.1179 0.0973 245 TRP A CB 1868 C CG . TRP A 245 ? 0.3198 0.3212 0.5458 -0.0357 -0.1137 0.0906 245 TRP A CG 1869 C CD1 . TRP A 245 ? 0.3199 0.3090 0.5624 -0.0337 -0.1113 0.0947 245 TRP A CD1 1870 C CD2 . TRP A 245 ? 0.3381 0.3544 0.5665 -0.0390 -0.1119 0.0769 245 TRP A CD2 1871 N NE1 . TRP A 245 ? 0.3389 0.3380 0.6010 -0.0364 -0.1083 0.0883 245 TRP A NE1 1872 C CE2 . TRP A 245 ? 0.3519 0.3667 0.6059 -0.0407 -0.1112 0.0756 245 TRP A CE2 1873 C CE3 . TRP A 245 ? 0.3403 0.3701 0.5577 -0.0404 -0.1105 0.0624 245 TRP A CE3 1874 C CZ2 . TRP A 245 ? 0.3376 0.3648 0.6119 -0.0461 -0.1140 0.0603 245 TRP A CZ2 1875 C CZ3 . TRP A 245 ? 0.3630 0.4004 0.5917 -0.0445 -0.1125 0.0433 245 TRP A CZ3 1876 C CH2 . TRP A 245 ? 0.3600 0.3966 0.6197 -0.0485 -0.1165 0.0424 245 TRP A CH2 1877 N N . TYR A 246 ? 0.3472 0.3579 0.5624 -0.0301 -0.1144 0.0920 246 TYR A N 1878 C CA . TYR A 246 ? 0.3425 0.3712 0.5759 -0.0294 -0.1138 0.0992 246 TYR A CA 1879 C C . TYR A 246 ? 0.3445 0.4102 0.5773 -0.0325 -0.1030 0.1076 246 TYR A C 1880 O O . TYR A 246 ? 0.3362 0.4122 0.5466 -0.0325 -0.0974 0.0960 246 TYR A O 1881 C CB . TYR A 246 ? 0.3400 0.3610 0.5754 -0.0221 -0.1078 0.0874 246 TYR A CB 1882 C CG . TYR A 246 ? 0.3636 0.4078 0.6295 -0.0195 -0.1028 0.0940 246 TYR A CG 1883 C CD1 . TYR A 246 ? 0.3864 0.4233 0.6809 -0.0169 -0.1181 0.1019 246 TYR A CD1 1884 C CD2 . TYR A 246 ? 0.3651 0.4402 0.6324 -0.0185 -0.0828 0.0915 246 TYR A CD2 1885 C CE1 . TYR A 246 ? 0.4053 0.4674 0.7441 -0.0145 -0.1125 0.1100 246 TYR A CE1 1886 C CE2 . TYR A 246 ? 0.3793 0.4774 0.6804 -0.0144 -0.0710 0.0991 246 TYR A CE2 1887 C CZ . TYR A 246 ? 0.4067 0.4994 0.7511 -0.0129 -0.0852 0.1098 246 TYR A CZ 1888 O OH . TYR A 246 ? 0.4501 0.5693 0.8443 -0.0087 -0.0727 0.1193 246 TYR A OH 1889 N N . LEU A 247 ? 0.3474 0.4333 0.6053 -0.0348 -0.1006 0.1281 247 LEU A N 1890 C CA . LEU A 247 ? 0.3752 0.4979 0.6251 -0.0348 -0.0846 0.1427 247 LEU A CA 1891 C C . LEU A 247 ? 0.3808 0.5243 0.6716 -0.0342 -0.0716 0.1619 247 LEU A C 1892 O O . LEU A 247 ? 0.3852 0.5173 0.7217 -0.0387 -0.0842 0.1725 247 LEU A O 1893 C CB . LEU A 247 ? 0.3791 0.5097 0.6211 -0.0394 -0.0920 0.1635 247 LEU A CB 1894 C CG . LEU A 247 ? 0.4334 0.6018 0.6600 -0.0378 -0.0782 0.1903 247 LEU A CG 1895 C CD1 . LEU A 247 ? 0.4770 0.6632 0.6461 -0.0322 -0.0733 0.1697 247 LEU A CD1 1896 C CD2 . LEU A 247 ? 0.4343 0.6050 0.6767 -0.0418 -0.0889 0.2223 247 LEU A CD2 1897 N N . GLN A 248 ? 0.4023 0.5763 0.6803 -0.0282 -0.0462 0.1644 248 GLN A N 1898 C CA . GLN A 248 ? 0.4075 0.6090 0.7319 -0.0272 -0.0254 0.1907 248 GLN A CA 1899 C C . GLN A 248 ? 0.4406 0.6764 0.7427 -0.0253 -0.0017 0.2216 248 GLN A C 1900 O O . GLN A 248 ? 0.4732 0.7194 0.7085 -0.0201 0.0031 0.2130 248 GLN A O 1901 C CB . GLN A 248 ? 0.4165 0.6255 0.7671 -0.0184 -0.0086 0.1746 248 GLN A CB 1902 C CG . GLN A 248 ? 0.4610 0.6835 0.7640 -0.0069 0.0172 0.1505 248 GLN A CG 1903 C CD . GLN A 248 ? 0.5011 0.7225 0.8447 0.0028 0.0306 0.1324 248 GLN A CD 1904 O OE1 . GLN A 248 ? 0.5578 0.8073 0.9174 0.0124 0.0648 0.1364 248 GLN A OE1 1905 N NE2 . GLN A 248 ? 0.4830 0.6726 0.8437 0.0025 0.0061 0.1152 248 GLN A NE2 1906 N N . ALA A 249 ? 0.4314 0.6840 0.7919 -0.0298 0.0099 0.2595 249 ALA A N 1907 C CA . ALA A 249 ? 0.4663 0.7540 0.8128 -0.0259 0.0402 0.2992 249 ALA A CA 1908 C C . ALA A 249 ? 0.4727 0.7900 0.8733 -0.0209 0.0780 0.3174 249 ALA A C 1909 O O . ALA A 249 ? 0.4431 0.7565 0.9344 -0.0287 0.0714 0.3265 249 ALA A O 1910 C CB . ALA A 249 ? 0.4611 0.7432 0.8424 -0.0358 0.0264 0.3384 249 ALA A CB 1911 N N . THR A 250 ? 0.5199 0.8676 0.8664 -0.0070 0.1172 0.3204 250 THR A N 1912 C CA . THR A 250 ? 0.5367 0.9164 0.9328 0.0014 0.1631 0.3367 250 THR A CA 1913 C C . THR A 250 ? 0.5812 0.9966 0.9857 0.0044 0.2034 0.3964 250 THR A C 1914 O O . THR A 250 ? 0.6202 1.0404 0.9547 0.0065 0.2015 0.4181 250 THR A O 1915 C CB . THR A 250 ? 0.5724 0.9598 0.9102 0.0189 0.1888 0.2937 250 THR A CB 1916 O OG1 . THR A 250 ? 0.6357 1.0323 0.8572 0.0290 0.1982 0.2846 250 THR A OG1 1917 C CG2 . THR A 250 ? 0.5143 0.8655 0.8604 0.0163 0.1531 0.2429 250 THR A CG2 1918 N N . LEU A 251 ? 0.5781 1.0194 1.0758 0.0047 0.2393 0.4270 251 LEU A N 1919 C CA . LEU A 251 ? 0.6282 1.1076 1.1400 0.0104 0.2907 0.4883 251 LEU A CA 1920 C C . LEU A 251 ? 0.6579 1.1728 1.2222 0.0233 0.3486 0.4951 251 LEU A C 1921 O O . LEU A 251 ? 0.6034 1.1191 1.2848 0.0159 0.3427 0.4892 251 LEU A O 1922 C CB . LEU A 251 ? 0.6006 1.0751 1.2163 -0.0085 0.2760 0.5405 251 LEU A CB 1923 C CG . LEU A 251 ? 0.6431 1.1561 1.3034 -0.0050 0.3327 0.6153 251 LEU A CG 1924 C CD1 . LEU A 251 ? 0.7121 1.2425 1.2357 0.0120 0.3595 0.6425 251 LEU A CD1 1925 C CD2 . LEU A 251 ? 0.5850 1.0862 1.3757 -0.0267 0.3131 0.6599 251 LEU A CD2 1926 N N . ASP A 252 ? 0.7430 1.2883 1.2200 0.0443 0.4038 0.5069 252 ASP A N 1927 C CA . ASP A 252 ? 0.7898 1.3727 1.3153 0.0599 0.4706 0.5198 252 ASP A CA 1928 C C . ASP A 252 ? 0.8106 1.4257 1.4429 0.0530 0.5117 0.5984 252 ASP A C 1929 O O . ASP A 252 ? 0.8506 1.4713 1.4432 0.0507 0.5185 0.6484 252 ASP A O 1930 C CB . ASP A 252 ? 0.8840 1.4845 1.2658 0.0878 0.5174 0.4954 252 ASP A CB 1931 C CG . ASP A 252 ? 0.9306 1.5588 1.3599 0.1072 0.5803 0.4805 252 ASP A CG 1932 O OD1 . ASP A 252 ? 1.0181 1.6810 1.3885 0.1295 0.6504 0.5040 252 ASP A OD1 1933 O OD2 . ASP A 252 ? 0.8824 1.4985 1.4082 0.1022 0.5611 0.4469 252 ASP A OD2 1934 N N . VAL A 253 ? 0.7894 1.4254 1.5677 0.0494 0.5364 0.6111 253 VAL A N 1935 C CA . VAL A 253 ? 0.8180 1.4907 1.7226 0.0437 0.5857 0.6858 253 VAL A CA 1936 C C . VAL A 253 ? 0.8459 1.5609 1.8378 0.0595 0.6533 0.6921 253 VAL A C 1937 O O . VAL A 253 ? 0.8193 1.5285 1.8269 0.0671 0.6421 0.6376 253 VAL A O 1938 C CB . VAL A 253 ? 0.7427 1.3959 1.8013 0.0123 0.5305 0.7071 253 VAL A CB 1939 C CG1 . VAL A 253 ? 0.7450 1.3662 1.7421 -0.0008 0.4873 0.7258 253 VAL A CG1 1940 C CG2 . VAL A 253 ? 0.6605 1.2875 1.7878 0.0013 0.4682 0.6464 253 VAL A CG2 1941 N N . GLU A 254 ? 0.9088 1.6669 1.9640 0.0656 0.7263 0.7620 254 GLU A N 1942 C CA . GLU A 254 ? 0.9274 1.7298 2.1117 0.0766 0.7913 0.7785 254 GLU A CA 1943 C C . GLU A 254 ? 0.8318 1.6280 2.2139 0.0511 0.7364 0.7680 254 GLU A C 1944 O O . GLU A 254 ? 0.7790 1.5499 2.2275 0.0235 0.6750 0.7815 254 GLU A O 1945 C CB . GLU A 254 ? 1.0101 1.8601 2.2350 0.0859 0.8825 0.8655 254 GLU A CB 1946 N N . ALA A 255 ? 0.8156 1.6339 2.2901 0.0618 0.7555 0.7415 255 ALA A N 1947 C CA . ALA A 255 ? 0.7327 1.5501 2.3933 0.0407 0.6994 0.7302 255 ALA A CA 1948 C C . ALA A 255 ? 0.7281 1.5776 2.5789 0.0194 0.7182 0.8016 255 ALA A C 1949 O O . ALA A 255 ? 0.7879 1.6814 2.6808 0.0304 0.8056 0.8611 255 ALA A O 1950 C CB . ALA A 255 ? 0.7221 1.5593 2.4410 0.0603 0.7177 0.6906 255 ALA A CB 1951 N N . GLY A 256 ? 0.6627 1.4878 2.6249 -0.0108 0.6363 0.7945 256 GLY A N 1952 C CA . GLY A 256 ? 0.6598 1.5045 2.8078 -0.0364 0.6377 0.8543 256 GLY A CA 1953 C C . GLY A 256 ? 0.6628 1.4677 2.7581 -0.0570 0.5997 0.8759 256 GLY A C 1954 O O . GLY A 256 ? 0.6431 1.4433 2.8900 -0.0845 0.5676 0.9043 256 GLY A O 1955 N N . GLU A 257 ? 0.6903 1.4660 2.5785 -0.0436 0.6012 0.8605 257 GLU A N 1956 C CA . GLU A 257 ? 0.6993 1.4395 2.5281 -0.0583 0.5720 0.8850 257 GLU A CA 1957 C C . GLU A 257 ? 0.6356 1.3164 2.4041 -0.0733 0.4721 0.8210 257 GLU A C 1958 O O . GLU A 257 ? 0.6358 1.2823 2.3356 -0.0817 0.4440 0.8296 257 GLU A O 1959 C CB . GLU A 257 ? 0.7769 1.5257 2.4274 -0.0347 0.6334 0.9179 257 GLU A CB 1960 C CG . GLU A 257 ? 0.8626 1.6610 2.5805 -0.0263 0.7294 1.0073 257 GLU A CG 1961 C CD . GLU A 257 ? 0.9609 1.7718 2.4808 0.0026 0.7906 1.0351 257 GLU A CD 1962 O OE1 . GLU A 257 ? 1.0316 1.8872 2.5727 0.0179 0.8806 1.1032 257 GLU A OE1 1963 O OE2 . GLU A 257 ? 0.9595 1.7369 2.3033 0.0108 0.7483 0.9891 257 GLU A OE2 1964 N N . GLU A 258 ? 0.5873 1.2572 2.3861 -0.0750 0.4215 0.7606 258 GLU A N 1965 C CA . GLU A 258 ? 0.5411 1.1569 2.2863 -0.0869 0.3306 0.6995 258 GLU A CA 1966 C C . GLU A 258 ? 0.5212 1.1075 2.3707 -0.1157 0.2768 0.7123 258 GLU A C 1967 O O . GLU A 258 ? 0.5144 1.0544 2.2769 -0.1225 0.2318 0.6909 258 GLU A O 1968 C CB . GLU A 258 ? 0.5027 1.1183 2.2876 -0.0828 0.2898 0.6451 258 GLU A CB 1969 C CG . GLU A 258 ? 0.5313 1.1609 2.2058 -0.0544 0.3281 0.6160 258 GLU A CG 1970 C CD . GLU A 258 ? 0.5796 1.2652 2.3700 -0.0410 0.3906 0.6402 258 GLU A CD 1971 O OE1 . GLU A 258 ? 0.5839 1.3045 2.5339 -0.0530 0.4180 0.6906 258 GLU A OE1 1972 O OE2 . GLU A 258 ? 0.6030 1.2971 2.3330 -0.0181 0.4138 0.6081 258 GLU A OE2 1973 N N . ALA A 259 ? 0.5180 1.1316 2.5621 -0.1322 0.2827 0.7454 259 ALA A N 1974 C CA . ALA A 259 ? 0.5046 1.0913 2.6806 -0.1615 0.2276 0.7503 259 ALA A CA 1975 C C . ALA A 259 ? 0.5273 1.0816 2.6482 -0.1689 0.2329 0.7828 259 ALA A C 1976 O O . ALA A 259 ? 0.5725 1.1517 2.6770 -0.1606 0.3034 0.8479 259 ALA A O 1977 C CB . ALA A 259 ? 0.5097 1.1414 2.9184 -0.1772 0.2507 0.7940 259 ALA A CB 1978 N N . GLY A 260 ? 0.5038 1.0025 2.5947 -0.1821 0.1591 0.7385 260 GLY A N 1979 C CA . GLY A 260 ? 0.5213 0.9849 2.5938 -0.1911 0.1549 0.7663 260 GLY A CA 1980 C C . GLY A 260 ? 0.5181 0.9577 2.3845 -0.1721 0.1592 0.7520 260 GLY A C 1981 O O . GLY A 260 ? 0.5362 0.9522 2.3713 -0.1743 0.1625 0.7810 260 GLY A O 1982 N N . LEU A 261 ? 0.4953 0.9418 2.2311 -0.1534 0.1586 0.7089 261 LEU A N 1983 C CA . LEU A 261 ? 0.4900 0.9120 2.0408 -0.1376 0.1512 0.6836 261 LEU A CA 1984 C C . LEU A 261 ? 0.4554 0.8243 1.9676 -0.1452 0.0747 0.6149 261 LEU A C 1985 O O . LEU A 261 ? 0.4334 0.7953 1.9969 -0.1512 0.0343 0.5721 261 LEU A O 1986 C CB . LEU A 261 ? 0.4950 0.9484 1.9270 -0.1135 0.1918 0.6705 261 LEU A CB 1987 C CG . LEU A 261 ? 0.5381 1.0399 1.9351 -0.0965 0.2744 0.7297 261 LEU A CG 1988 C CD1 . LEU A 261 ? 0.5241 1.0488 1.8194 -0.0738 0.3029 0.6956 261 LEU A CD1 1989 C CD2 . LEU A 261 ? 0.5617 1.0539 1.8594 -0.0902 0.2895 0.7679 261 LEU A CD2 1990 N N . ALA A 262 ? 0.4632 0.7961 1.8849 -0.1432 0.0554 0.6063 262 ALA A N 1991 C CA . ALA A 262 ? 0.4390 0.7225 1.8002 -0.1454 -0.0063 0.5420 262 ALA A CA 1992 C C . ALA A 262 ? 0.4401 0.7142 1.6339 -0.1277 -0.0009 0.5215 262 ALA A C 1993 O O . ALA A 262 ? 0.4664 0.7618 1.5972 -0.1172 0.0388 0.5602 262 ALA A O 1994 C CB . ALA A 262 ? 0.4457 0.6866 1.8837 -0.1621 -0.0431 0.5410 262 ALA A CB 1995 N N . CYS A 263 ? 0.4193 0.6632 1.5440 -0.1239 -0.0419 0.4620 263 CYS A N 1996 C CA . CYS A 263 ? 0.4222 0.6480 1.4101 -0.1112 -0.0472 0.4368 263 CYS A CA 1997 C C . CYS A 263 ? 0.4209 0.6000 1.4092 -0.1181 -0.0831 0.4214 263 CYS A C 1998 O O . CYS A 263 ? 0.4240 0.5726 1.4764 -0.1289 -0.1209 0.3943 263 CYS A O 1999 C CB . CYS A 263 ? 0.4025 0.6217 1.3211 -0.1018 -0.0642 0.3859 263 CYS A CB 2000 S SG . CYS A 263 ? 0.4592 0.6601 1.2321 -0.0886 -0.0660 0.3603 263 CYS A SG 2001 N N . ARG A 264 ? 0.4250 0.5993 1.3451 -0.1109 -0.0723 0.4377 264 ARG A N 2002 C CA . ARG A 264 ? 0.4205 0.5519 1.3417 -0.1141 -0.1007 0.4237 264 ARG A CA 2003 C C . ARG A 264 ? 0.4020 0.5203 1.2067 -0.1014 -0.1081 0.3951 264 ARG A C 2004 O O . ARG A 264 ? 0.4013 0.5476 1.1350 -0.0914 -0.0853 0.4145 264 ARG A O 2005 C CB . ARG A 264 ? 0.4473 0.5819 1.4378 -0.1193 -0.0843 0.4802 264 ARG A CB 2006 C CG . ARG A 264 ? 0.4662 0.5534 1.4848 -0.1226 -0.1120 0.4668 264 ARG A CG 2007 C CD . ARG A 264 ? 0.5064 0.5893 1.6484 -0.1333 -0.1014 0.5206 264 ARG A CD 2008 N NE . ARG A 264 ? 0.5196 0.5516 1.7052 -0.1363 -0.1285 0.5014 264 ARG A NE 2009 C CZ . ARG A 264 ? 0.5604 0.5642 1.8729 -0.1498 -0.1393 0.5121 264 ARG A CZ 2010 N NH1 . ARG A 264 ? 0.5706 0.5943 1.9908 -0.1638 -0.1262 0.5464 264 ARG A NH1 2011 N NH2 . ARG A 264 ? 0.5832 0.5375 1.9231 -0.1490 -0.1621 0.4867 264 ARG A NH2 2012 N N . VAL A 265 ? 0.3777 0.4538 1.1656 -0.1017 -0.1402 0.3482 265 VAL A N 2013 C CA . VAL A 265 ? 0.3642 0.4252 1.0599 -0.0910 -0.1466 0.3195 265 VAL A CA 2014 C C . VAL A 265 ? 0.3748 0.3984 1.0886 -0.0905 -0.1617 0.3127 265 VAL A C 2015 O O . VAL A 265 ? 0.3910 0.3792 1.1584 -0.0967 -0.1829 0.2908 265 VAL A O 2016 C CB . VAL A 265 ? 0.3446 0.3888 0.9900 -0.0869 -0.1634 0.2694 265 VAL A CB 2017 C CG1 . VAL A 265 ? 0.3323 0.3660 0.8911 -0.0763 -0.1619 0.2473 265 VAL A CG1 2018 C CG2 . VAL A 265 ? 0.3109 0.3882 0.9582 -0.0867 -0.1503 0.2740 265 VAL A CG2 2019 N N . LYS A 266 ? 0.3745 0.4067 1.0461 -0.0822 -0.1523 0.3288 266 LYS A N 2020 C CA . LYS A 266 ? 0.3901 0.3898 1.0749 -0.0777 -0.1630 0.3209 266 LYS A CA 2021 C C . LYS A 266 ? 0.3744 0.3669 0.9803 -0.0677 -0.1654 0.2865 266 LYS A C 2022 O O . LYS A 266 ? 0.3827 0.4065 0.9307 -0.0634 -0.1558 0.2923 266 LYS A O 2023 C CB . LYS A 266 ? 0.3978 0.4162 1.1169 -0.0752 -0.1522 0.3759 266 LYS A CB 2024 C CG . LYS A 266 ? 0.4171 0.4446 1.2247 -0.0845 -0.1426 0.4242 266 LYS A CG 2025 C CD . LYS A 266 ? 0.4157 0.4513 1.2568 -0.0785 -0.1357 0.4789 266 LYS A CD 2026 C CE . LYS A 266 ? 0.4280 0.4759 1.3554 -0.0862 -0.1197 0.5382 266 LYS A CE 2027 N NZ . LYS A 266 ? 0.4232 0.4244 1.4623 -0.0971 -0.1333 0.5249 266 LYS A NZ 2028 N N . HIS A 267 ? 0.3754 0.3262 0.9813 -0.0635 -0.1763 0.2500 267 HIS A N 2029 C CA . HIS A 267 ? 0.3550 0.2967 0.8983 -0.0535 -0.1730 0.2214 267 HIS A CA 2030 C C . HIS A 267 ? 0.3806 0.2799 0.9497 -0.0464 -0.1762 0.1998 267 HIS A C 2031 O O . HIS A 267 ? 0.4102 0.2758 1.0193 -0.0494 -0.1870 0.1830 267 HIS A O 2032 C CB . HIS A 267 ? 0.3417 0.2777 0.8271 -0.0527 -0.1754 0.1871 267 HIS A CB 2033 C CG . HIS A 267 ? 0.3275 0.2545 0.7568 -0.0432 -0.1673 0.1636 267 HIS A CG 2034 N ND1 . HIS A 267 ? 0.3328 0.2195 0.7413 -0.0351 -0.1676 0.1305 267 HIS A ND1 2035 C CD2 . HIS A 267 ? 0.2619 0.2148 0.6577 -0.0404 -0.1571 0.1695 267 HIS A CD2 2036 C CE1 . HIS A 267 ? 0.3415 0.2313 0.7112 -0.0278 -0.1536 0.1224 267 HIS A CE1 2037 N NE2 . HIS A 267 ? 0.2832 0.2124 0.6507 -0.0322 -0.1496 0.1443 267 HIS A NE2 2038 N N . SER A 268 ? 0.3756 0.2764 0.9278 -0.0366 -0.1667 0.1979 268 SER A N 2039 C CA . SER A 268 ? 0.3899 0.2533 0.9700 -0.0264 -0.1621 0.1785 268 SER A CA 2040 C C . SER A 268 ? 0.4197 0.2343 0.9733 -0.0221 -0.1653 0.1287 268 SER A C 2041 O O . SER A 268 ? 0.4474 0.2234 1.0369 -0.0158 -0.1653 0.1093 268 SER A O 2042 C CB . SER A 268 ? 0.3780 0.2561 0.9427 -0.0164 -0.1488 0.1809 268 SER A CB 2043 O OG . SER A 268 ? 0.3636 0.2584 0.8630 -0.0173 -0.1435 0.1670 268 SER A OG 2044 N N . SER A 269 ? 0.4129 0.2287 0.9036 -0.0243 -0.1697 0.1082 269 SER A N 2045 C CA . SER A 269 ? 0.4587 0.2323 0.9022 -0.0171 -0.1756 0.0625 269 SER A CA 2046 C C . SER A 269 ? 0.4929 0.2364 0.9744 -0.0235 -0.2008 0.0422 269 SER A C 2047 O O . SER A 269 ? 0.5402 0.2413 0.9893 -0.0151 -0.2091 -0.0004 269 SER A O 2048 C CB . SER A 269 ? 0.4446 0.2307 0.8151 -0.0164 -0.1760 0.0539 269 SER A CB 2049 O OG . SER A 269 ? 0.4177 0.2309 0.8063 -0.0293 -0.1924 0.0708 269 SER A OG 2050 N N . LEU A 270 ? 0.4777 0.2437 1.0285 -0.0380 -0.2121 0.0733 270 LEU A N 2051 C CA . LEU A 270 ? 0.5093 0.2562 1.1191 -0.0491 -0.2383 0.0617 270 LEU A CA 2052 C C . LEU A 270 ? 0.5551 0.2644 1.2393 -0.0485 -0.2421 0.0521 270 LEU A C 2053 O O . LEU A 270 ? 0.5988 0.2811 1.3365 -0.0573 -0.2669 0.0305 270 LEU A O 2054 C CB . LEU A 270 ? 0.4696 0.2610 1.1307 -0.0646 -0.2406 0.1061 270 LEU A CB 2055 C CG . LEU A 270 ? 0.4440 0.2705 1.0440 -0.0653 -0.2380 0.1114 270 LEU A CG 2056 C CD1 . LEU A 270 ? 0.4031 0.2762 1.0535 -0.0770 -0.2298 0.1582 270 LEU A CD1 2057 C CD2 . LEU A 270 ? 0.4506 0.2534 1.0105 -0.0635 -0.2643 0.0680 270 LEU A CD2 2058 N N . GLY A 271 ? 0.5571 0.2643 1.2552 -0.0383 -0.2196 0.0675 271 GLY A N 2059 C CA . GLY A 271 ? 0.5943 0.2658 1.3728 -0.0351 -0.2191 0.0626 271 GLY A CA 2060 C C . GLY A 271 ? 0.5940 0.2771 1.4779 -0.0517 -0.2302 0.1031 271 GLY A C 2061 O O . GLY A 271 ? 0.6364 0.2795 1.5982 -0.0562 -0.2439 0.0846 271 GLY A O 2062 N N . GLY A 272 ? 0.5523 0.2886 1.4401 -0.0601 -0.2222 0.1580 272 GLY A N 2063 C CA . GLY A 272 ? 0.5653 0.3210 1.5470 -0.0746 -0.2240 0.2088 272 GLY A CA 2064 C C . GLY A 272 ? 0.5857 0.3336 1.6166 -0.0916 -0.2458 0.1939 272 GLY A C 2065 O O . GLY A 272 ? 0.5927 0.3470 1.7237 -0.1043 -0.2461 0.2317 272 GLY A O 2066 N N . GLN A 273 ? 0.6053 0.3398 1.5739 -0.0915 -0.2651 0.1415 273 GLN A N 2067 C CA . GLN A 273 ? 0.6241 0.3643 1.6373 -0.1075 -0.2895 0.1321 273 GLN A CA 2068 C C . GLN A 273 ? 0.5779 0.3733 1.5370 -0.1092 -0.2768 0.1610 273 GLN A C 2069 O O . GLN A 273 ? 0.5798 0.3769 1.4541 -0.1027 -0.2859 0.1285 273 GLN A O 2070 C CB . GLN A 273 ? 0.6749 0.3697 1.6510 -0.1049 -0.3248 0.0582 273 GLN A CB 2071 C CG . GLN A 273 ? 0.7580 0.3930 1.8006 -0.1057 -0.3439 0.0175 273 GLN A CG 2072 C CD . GLN A 273 ? 0.8378 0.4327 1.8351 -0.1037 -0.3853 -0.0573 273 GLN A CD 2073 O OE1 . GLN A 273 ? 0.8232 0.4225 1.7037 -0.0917 -0.3898 -0.0835 273 GLN A OE1 2074 N NE2 . GLN A 273 ? 0.8873 0.4422 1.9777 -0.1151 -0.4180 -0.0915 273 GLN A NE2 2075 N N . ASP A 274 ? 0.5534 0.3920 1.5600 -0.1160 -0.2536 0.2230 274 ASP A N 2076 C CA . ASP A 274 ? 0.5157 0.4072 1.4754 -0.1158 -0.2353 0.2515 274 ASP A CA 2077 C C . ASP A 274 ? 0.5127 0.4106 1.4763 -0.1229 -0.2571 0.2227 274 ASP A C 2078 O O . ASP A 274 ? 0.5297 0.4024 1.5654 -0.1335 -0.2863 0.1982 274 ASP A O 2079 C CB . ASP A 274 ? 0.5089 0.4413 1.5305 -0.1219 -0.2065 0.3222 274 ASP A CB 2080 C CG . ASP A 274 ? 0.5350 0.4654 1.5596 -0.1137 -0.1894 0.3603 274 ASP A CG 2081 O OD1 . ASP A 274 ? 0.5340 0.4451 1.4995 -0.1017 -0.1930 0.3365 274 ASP A OD1 2082 O OD2 . ASP A 274 ? 0.5865 0.5374 1.6793 -0.1185 -0.1710 0.4195 274 ASP A OD2 2083 N N . ILE A 275 ? 0.4839 0.4136 1.3728 -0.1163 -0.2461 0.2228 275 ILE A N 2084 C CA . ILE A 275 ? 0.4721 0.4212 1.3801 -0.1217 -0.2601 0.2122 275 ILE A CA 2085 C C . ILE A 275 ? 0.4668 0.4598 1.4640 -0.1321 -0.2350 0.2663 275 ILE A C 2086 O O . ILE A 275 ? 0.4548 0.4785 1.4330 -0.1277 -0.1982 0.3103 275 ILE A O 2087 C CB . ILE A 275 ? 0.4581 0.4222 1.2621 -0.1089 -0.2541 0.1943 275 ILE A CB 2088 C CG1 . ILE A 275 ? 0.4731 0.3942 1.1909 -0.0975 -0.2732 0.1469 275 ILE A CG1 2089 C CG2 . ILE A 275 ? 0.4325 0.4221 1.2705 -0.1127 -0.2660 0.1912 275 ILE A CG2 2090 C CD1 . ILE A 275 ? 0.4544 0.3848 1.0792 -0.0852 -0.2661 0.1331 275 ILE A CD1 2091 N N . ILE A 276 ? 0.4795 0.4759 1.5770 -0.1455 -0.2553 0.2637 276 ILE A N 2092 C CA . ILE A 276 ? 0.4769 0.5160 1.6728 -0.1555 -0.2277 0.3163 276 ILE A CA 2093 C C . ILE A 276 ? 0.4692 0.5316 1.7048 -0.1593 -0.2451 0.2998 276 ILE A C 2094 O O . ILE A 276 ? 0.4856 0.5229 1.7632 -0.1667 -0.2928 0.2591 276 ILE A O 2095 C CB . ILE A 276 ? 0.5027 0.5243 1.8273 -0.1713 -0.2306 0.3432 276 ILE A CB 2096 C CG1 . ILE A 276 ? 0.5192 0.5151 1.8024 -0.1640 -0.2170 0.3579 276 ILE A CG1 2097 C CG2 . ILE A 276 ? 0.4968 0.5654 1.9283 -0.1809 -0.1936 0.4067 276 ILE A CG2 2098 C CD1 . ILE A 276 ? 0.5794 0.5420 1.9850 -0.1770 -0.2266 0.3736 276 ILE A CD1 2099 N N . LEU A 277 ? 0.4511 0.5608 1.6683 -0.1522 -0.2083 0.3286 277 LEU A N 2100 C CA . LEU A 277 ? 0.4486 0.5859 1.7085 -0.1524 -0.2190 0.3180 277 LEU A CA 2101 C C . LEU A 277 ? 0.4447 0.6355 1.8048 -0.1574 -0.1745 0.3717 277 LEU A C 2102 O O . LEU A 277 ? 0.4410 0.6643 1.7489 -0.1460 -0.1231 0.4039 277 LEU A O 2103 C CB . LEU A 277 ? 0.4328 0.5730 1.5711 -0.1345 -0.2176 0.2900 277 LEU A CB 2104 C CG . LEU A 277 ? 0.4539 0.5481 1.4957 -0.1267 -0.2596 0.2370 277 LEU A CG 2105 C CD1 . LEU A 277 ? 0.4442 0.5507 1.4021 -0.1105 -0.2522 0.2220 277 LEU A CD1 2106 C CD2 . LEU A 277 ? 0.5037 0.5686 1.6084 -0.1370 -0.3185 0.2020 277 LEU A CD2 2107 N N . TYR A 278 ? 0.4557 0.6565 1.9613 -0.1736 -0.1936 0.3798 278 TYR A N 2108 C CA . TYR A 278 ? 0.4608 0.7150 2.0769 -0.1780 -0.1471 0.4331 278 TYR A CA 2109 C C . TYR A 278 ? 0.4404 0.7303 2.0537 -0.1668 -0.1416 0.4208 278 TYR A C 2110 O O . TYR A 278 ? 0.4339 0.7062 2.0253 -0.1642 -0.1928 0.3736 278 TYR A O 2111 C CB . TYR A 278 ? 0.4762 0.7295 2.2729 -0.2019 -0.1667 0.4515 278 TYR A CB 2112 C CG . TYR A 278 ? 0.5126 0.7224 2.3201 -0.2121 -0.1774 0.4576 278 TYR A CG 2113 C CD1 . TYR A 278 ? 0.5376 0.6903 2.3037 -0.2157 -0.2379 0.3984 278 TYR A CD1 2114 C CD2 . TYR A 278 ? 0.5420 0.7669 2.3969 -0.2155 -0.1245 0.5239 278 TYR A CD2 2115 C CE1 . TYR A 278 ? 0.5811 0.6914 2.3622 -0.2228 -0.2453 0.4007 278 TYR A CE1 2116 C CE2 . TYR A 278 ? 0.5819 0.7653 2.4550 -0.2232 -0.1345 0.5325 278 TYR A CE2 2117 C CZ . TYR A 278 ? 0.6000 0.7255 2.4397 -0.2268 -0.1950 0.4683 278 TYR A CZ 2118 O OH . TYR A 278 ? 0.6357 0.7173 2.4992 -0.2323 -0.2036 0.4724 278 TYR A OH 2119 N N . TRP A 279 ? 0.4404 0.7793 2.0698 -0.1576 -0.0776 0.4642 279 TRP A N 2120 C CA . TRP A 279 ? 0.4355 0.8138 2.1059 -0.1479 -0.0651 0.4603 279 TRP A CA 2121 C C . TRP A 279 ? 0.4368 0.8339 2.2926 -0.1655 -0.0981 0.4647 279 TRP A C 2122 O O . TRP A 279 ? 0.4336 0.8496 2.3401 -0.1611 -0.1227 0.4445 279 TRP A O 2123 C CB . TRP A 279 ? 0.4479 0.8731 2.0943 -0.1325 0.0178 0.5050 279 TRP A CB 2124 C CG . TRP A 279 ? 0.4468 0.9098 2.1234 -0.1178 0.0384 0.4970 279 TRP A CG 2125 C CD1 . TRP A 279 ? 0.4530 0.9683 2.2616 -0.1167 0.0830 0.5341 279 TRP A CD1 2126 C CD2 . TRP A 279 ? 0.4300 0.8808 2.0140 -0.1010 0.0178 0.4513 279 TRP A CD2 2127 N NE1 . TRP A 279 ? 0.4359 0.9723 2.2387 -0.0991 0.0910 0.5119 279 TRP A NE1 2128 C CE2 . TRP A 279 ? 0.4317 0.9277 2.0980 -0.0895 0.0502 0.4618 279 TRP A CE2 2129 C CE3 . TRP A 279 ? 0.4298 0.8361 1.8768 -0.0939 -0.0213 0.4055 279 TRP A CE3 2130 C CZ2 . TRP A 279 ? 0.4232 0.9181 2.0393 -0.0710 0.0417 0.4275 279 TRP A CZ2 2131 C CZ3 . TRP A 279 ? 0.4091 0.8151 1.8073 -0.0768 -0.0286 0.3743 279 TRP A CZ3 2132 C CH2 . TRP A 279 ? 0.4005 0.8490 1.8829 -0.0655 0.0014 0.3854 279 TRP A CH2 2133 N N . GLN B 2 ? 0.6976 1.0939 0.8017 0.0669 -0.0267 -0.3582 2 GLN B N 2134 C CA . GLN B 2 ? 0.6820 1.0372 0.8107 0.0752 -0.0226 -0.3487 2 GLN B CA 2135 C C . GLN B 2 ? 0.6622 1.0805 0.7519 0.0639 -0.0019 -0.3194 2 GLN B C 2136 O O . GLN B 2 ? 0.6796 1.2034 0.7515 0.0651 0.0064 -0.3463 2 GLN B O 2137 C CB . GLN B 2 ? 0.7085 1.0653 0.8996 0.1047 -0.0407 -0.4173 2 GLN B CB 2138 C CG . GLN B 2 ? 0.7081 1.0119 0.9347 0.1153 -0.0448 -0.4092 2 GLN B CG 2139 C CD . GLN B 2 ? 0.7471 1.0089 1.0527 0.1417 -0.0772 -0.4651 2 GLN B CD 2140 O OE1 . GLN B 2 ? 0.7545 1.0750 1.0969 0.1679 -0.0865 -0.5295 2 GLN B OE1 2141 N NE2 . GLN B 2 ? 0.7497 0.9147 1.0869 0.1339 -0.0977 -0.4412 2 GLN B NE2 2142 N N . LYS B 3 ? 0.6253 0.9864 0.7034 0.0513 0.0052 -0.2644 3 LYS B N 2143 C CA . LYS B 3 ? 0.6004 1.0106 0.6470 0.0358 0.0203 -0.2281 3 LYS B CA 2144 C C . LYS B 3 ? 0.5749 0.9412 0.6414 0.0417 0.0237 -0.2128 3 LYS B C 2145 O O . LYS B 3 ? 0.5562 0.8334 0.6419 0.0466 0.0160 -0.1980 3 LYS B O 2146 C CB . LYS B 3 ? 0.5949 0.9981 0.6004 0.0085 0.0211 -0.1692 3 LYS B CB 2147 N N . THR B 4 ? 0.5620 1.0036 0.6224 0.0390 0.0352 -0.2153 4 THR B N 2148 C CA . THR B 4 ? 0.5336 0.9638 0.6147 0.0459 0.0390 -0.2102 4 THR B CA 2149 C C . THR B 4 ? 0.5029 0.8696 0.5672 0.0280 0.0396 -0.1483 4 THR B C 2150 O O . THR B 4 ? 0.5099 0.8875 0.5434 0.0044 0.0410 -0.1059 4 THR B O 2151 C CB . THR B 4 ? 0.5401 1.0928 0.6184 0.0437 0.0528 -0.2315 4 THR B CB 2152 O OG1 . THR B 4 ? 0.5595 1.1828 0.6552 0.0638 0.0509 -0.2992 4 THR B OG1 2153 C CG2 . THR B 4 ? 0.5356 1.0868 0.6443 0.0546 0.0553 -0.2369 4 THR B CG2 2154 N N . PRO B 5 ? 0.4715 0.7733 0.5597 0.0399 0.0342 -0.1443 5 PRO B N 2155 C CA . PRO B 5 ? 0.4380 0.6868 0.5129 0.0266 0.0327 -0.0953 5 PRO B CA 2156 C C . PRO B 5 ? 0.4265 0.7297 0.4956 0.0125 0.0397 -0.0729 5 PRO B C 2157 O O . PRO B 5 ? 0.4255 0.7838 0.5140 0.0217 0.0457 -0.0988 5 PRO B O 2158 C CB . PRO B 5 ? 0.4325 0.6117 0.5340 0.0439 0.0237 -0.1028 5 PRO B CB 2159 C CG . PRO B 5 ? 0.4536 0.6392 0.5885 0.0647 0.0160 -0.1514 5 PRO B CG 2160 C CD . PRO B 5 ? 0.4771 0.7548 0.6089 0.0660 0.0247 -0.1849 5 PRO B CD 2161 N N . GLN B 6 ? 0.4091 0.6994 0.4585 -0.0096 0.0356 -0.0268 6 GLN B N 2162 C CA . GLN B 6 ? 0.4041 0.7255 0.4567 -0.0264 0.0354 0.0034 6 GLN B CA 2163 C C . GLN B 6 ? 0.3794 0.6289 0.4476 -0.0159 0.0272 0.0120 6 GLN B C 2164 O O . GLN B 6 ? 0.3645 0.5438 0.4286 -0.0077 0.0196 0.0151 6 GLN B O 2165 C CB . GLN B 6 ? 0.4205 0.7585 0.4548 -0.0568 0.0258 0.0508 6 GLN B CB 2166 C CG . GLN B 6 ? 0.4891 0.9108 0.5012 -0.0721 0.0321 0.0500 6 GLN B CG 2167 C CD . GLN B 6 ? 0.5669 1.1031 0.5818 -0.0746 0.0501 0.0258 6 GLN B CD 2168 O OE1 . GLN B 6 ? 0.6085 1.1908 0.6347 -0.0900 0.0533 0.0466 6 GLN B OE1 2169 N NE2 . GLN B 6 ? 0.5996 1.1881 0.6087 -0.0589 0.0604 -0.0223 6 GLN B NE2 2170 N N . ILE B 7 ? 0.3641 0.6406 0.4502 -0.0169 0.0287 0.0148 7 ILE B N 2171 C CA . ILE B 7 ? 0.3443 0.5632 0.4447 -0.0060 0.0197 0.0197 7 ILE B CA 2172 C C . ILE B 7 ? 0.3464 0.5793 0.4567 -0.0261 0.0107 0.0537 7 ILE B C 2173 O O . ILE B 7 ? 0.3617 0.6686 0.4819 -0.0419 0.0172 0.0615 7 ILE B O 2174 C CB . ILE B 7 ? 0.3552 0.5826 0.4801 0.0175 0.0232 -0.0155 7 ILE B CB 2175 C CG1 . ILE B 7 ? 0.3645 0.5809 0.4938 0.0365 0.0252 -0.0515 7 ILE B CG1 2176 C CG2 . ILE B 7 ? 0.3185 0.4865 0.4531 0.0276 0.0111 -0.0063 7 ILE B CG2 2177 C CD1 . ILE B 7 ? 0.3689 0.6096 0.5339 0.0593 0.0230 -0.0916 7 ILE B CD1 2178 N N . GLN B 8 ? 0.3228 0.4924 0.4348 -0.0260 -0.0054 0.0714 8 GLN B N 2179 C CA . GLN B 8 ? 0.3220 0.4919 0.4533 -0.0430 -0.0218 0.1001 8 GLN B CA 2180 C C . GLN B 8 ? 0.3193 0.4372 0.4615 -0.0252 -0.0331 0.0899 8 GLN B C 2181 O O . GLN B 8 ? 0.3124 0.3783 0.4419 -0.0109 -0.0388 0.0804 8 GLN B O 2182 C CB . GLN B 8 ? 0.3321 0.4864 0.4630 -0.0650 -0.0409 0.1333 8 GLN B CB 2183 C CG . GLN B 8 ? 0.3627 0.5827 0.4823 -0.0902 -0.0340 0.1549 8 GLN B CG 2184 C CD . GLN B 8 ? 0.4173 0.6113 0.5343 -0.1075 -0.0564 0.1858 8 GLN B CD 2185 O OE1 . GLN B 8 ? 0.4076 0.5714 0.5067 -0.0952 -0.0550 0.1712 8 GLN B OE1 2186 N NE2 . GLN B 8 ? 0.4176 0.6255 0.5582 -0.1380 -0.0807 0.2308 8 GLN B NE2 2187 N N . VAL B 9 ? 0.3096 0.4518 0.4750 -0.0274 -0.0362 0.0918 9 VAL B N 2188 C CA . VAL B 9 ? 0.3044 0.4104 0.4806 -0.0109 -0.0478 0.0811 9 VAL B CA 2189 C C . VAL B 9 ? 0.3205 0.4201 0.5248 -0.0271 -0.0719 0.1028 9 VAL B C 2190 O O . VAL B 9 ? 0.3284 0.4744 0.5563 -0.0509 -0.0744 0.1250 9 VAL B O 2191 C CB . VAL B 9 ? 0.3084 0.4458 0.4976 0.0035 -0.0369 0.0601 9 VAL B CB 2192 C CG1 . VAL B 9 ? 0.2876 0.3874 0.4831 0.0213 -0.0509 0.0510 9 VAL B CG1 2193 C CG2 . VAL B 9 ? 0.2844 0.4288 0.4599 0.0181 -0.0206 0.0367 9 VAL B CG2 2194 N N . TYR B 10 ? 0.3176 0.3663 0.5230 -0.0158 -0.0915 0.0958 10 TYR B N 2195 C CA . TYR B 10 ? 0.3321 0.3656 0.5728 -0.0276 -0.1222 0.1091 10 TYR B CA 2196 C C . TYR B 10 ? 0.3444 0.3387 0.5849 -0.0041 -0.1395 0.0828 10 TYR B C 2197 O O . TYR B 10 ? 0.3404 0.3183 0.5479 0.0159 -0.1284 0.0622 10 TYR B O 2198 C CB . TYR B 10 ? 0.3411 0.3625 0.5948 -0.0480 -0.1401 0.1333 10 TYR B CB 2199 C CG . TYR B 10 ? 0.3377 0.3305 0.5624 -0.0341 -0.1340 0.1185 10 TYR B CG 2200 C CD1 . TYR B 10 ? 0.3105 0.3236 0.5000 -0.0319 -0.1044 0.1154 10 TYR B CD1 2201 C CD2 . TYR B 10 ? 0.3218 0.2729 0.5598 -0.0216 -0.1597 0.1024 10 TYR B CD2 2202 C CE1 . TYR B 10 ? 0.3197 0.3092 0.4867 -0.0207 -0.0994 0.1023 10 TYR B CE1 2203 C CE2 . TYR B 10 ? 0.3053 0.2406 0.5207 -0.0088 -0.1528 0.0863 10 TYR B CE2 2204 C CZ . TYR B 10 ? 0.3239 0.2770 0.5033 -0.0103 -0.1223 0.0896 10 TYR B CZ 2205 O OH . TYR B 10 ? 0.3225 0.2628 0.4840 -0.0002 -0.1164 0.0755 10 TYR B OH 2206 N N . SER B 11 ? 0.3514 0.3377 0.6302 -0.0086 -0.1682 0.0839 11 SER B N 2207 C CA . SER B 11 ? 0.3639 0.3271 0.6433 0.0146 -0.1862 0.0534 11 SER B CA 2208 C C . SER B 11 ? 0.3771 0.3095 0.6758 0.0198 -0.2151 0.0386 11 SER B C 2209 O O . SER B 11 ? 0.3889 0.3099 0.7211 0.0005 -0.2343 0.0600 11 SER B O 2210 C CB . SER B 11 ? 0.3599 0.3346 0.6730 0.0122 -0.2034 0.0527 11 SER B CB 2211 O OG . SER B 11 ? 0.4133 0.3903 0.7789 -0.0147 -0.2281 0.0786 11 SER B OG 2212 N N . ARG B 12 ? 0.3823 0.3076 0.6624 0.0455 -0.2201 0.0021 12 ARG B N 2213 C CA . ARG B 12 ? 0.3967 0.3029 0.7028 0.0575 -0.2502 -0.0261 12 ARG B CA 2214 C C . ARG B 12 ? 0.4291 0.3157 0.8026 0.0543 -0.2985 -0.0350 12 ARG B C 2215 O O . ARG B 12 ? 0.4436 0.3035 0.8643 0.0495 -0.3323 -0.0363 12 ARG B O 2216 C CB . ARG B 12 ? 0.3978 0.3237 0.6659 0.0854 -0.2407 -0.0675 12 ARG B CB 2217 C CG . ARG B 12 ? 0.3873 0.3123 0.6893 0.1062 -0.2752 -0.1151 12 ARG B CG 2218 C CD . ARG B 12 ? 0.3453 0.2523 0.6649 0.1022 -0.2807 -0.1122 12 ARG B CD 2219 N NE . ARG B 12 ? 0.3470 0.2597 0.7024 0.1270 -0.3127 -0.1659 12 ARG B NE 2220 C CZ . ARG B 12 ? 0.3751 0.2618 0.8028 0.1341 -0.3648 -0.1901 12 ARG B CZ 2221 N NH1 . ARG B 12 ? 0.3864 0.2399 0.8568 0.1138 -0.3908 -0.1589 12 ARG B NH1 2222 N NH2 . ARG B 12 ? 0.4039 0.3027 0.8676 0.1620 -0.3939 -0.2490 12 ARG B NH2 2223 N N . HIS B 13 ? 0.4298 0.3270 0.8132 0.0576 -0.3066 -0.0421 13 HIS B N 2224 C CA . HIS B 13 ? 0.4667 0.3458 0.9184 0.0550 -0.3552 -0.0538 13 HIS B CA 2225 C C . HIS B 13 ? 0.4715 0.3592 0.9473 0.0246 -0.3524 -0.0082 13 HIS B C 2226 O O . HIS B 13 ? 0.4444 0.3592 0.8787 0.0159 -0.3119 0.0164 13 HIS B O 2227 C CB . HIS B 13 ? 0.4826 0.3777 0.9294 0.0854 -0.3707 -0.1067 13 HIS B CB 2228 C CG . HIS B 13 ? 0.4960 0.4114 0.9041 0.1148 -0.3617 -0.1527 13 HIS B CG 2229 N ND1 . HIS B 13 ? 0.5229 0.4303 0.9727 0.1337 -0.3976 -0.1987 13 HIS B ND1 2230 C CD2 . HIS B 13 ? 0.4520 0.4026 0.7885 0.1272 -0.3228 -0.1595 13 HIS B CD2 2231 C CE1 . HIS B 13 ? 0.5326 0.4793 0.9341 0.1564 -0.3760 -0.2340 13 HIS B CE1 2232 N NE2 . HIS B 13 ? 0.4968 0.4694 0.8280 0.1502 -0.3308 -0.2064 13 HIS B NE2 2233 N N . PRO B 14 ? 0.5033 0.3729 1.0519 0.0084 -0.3975 0.0008 14 PRO B N 2234 C CA . PRO B 14 ? 0.5088 0.4007 1.0853 -0.0228 -0.3950 0.0435 14 PRO B CA 2235 C C . PRO B 14 ? 0.4996 0.4255 1.0447 -0.0087 -0.3698 0.0286 14 PRO B C 2236 O O . PRO B 14 ? 0.5085 0.4295 1.0538 0.0177 -0.3873 -0.0136 14 PRO B O 2237 C CB . PRO B 14 ? 0.5392 0.3994 1.2068 -0.0386 -0.4575 0.0475 14 PRO B CB 2238 C CG . PRO B 14 ? 0.5675 0.3845 1.2586 -0.0194 -0.4923 0.0148 14 PRO B CG 2239 C CD . PRO B 14 ? 0.5430 0.3745 1.1594 0.0180 -0.4559 -0.0297 14 PRO B CD 2240 N N . PRO B 15 ? 0.4913 0.4569 1.0142 -0.0259 -0.3325 0.0610 15 PRO B N 2241 C CA . PRO B 15 ? 0.4773 0.4761 0.9726 -0.0123 -0.3070 0.0504 15 PRO B CA 2242 C C . PRO B 15 ? 0.5001 0.5083 1.0463 -0.0154 -0.3363 0.0433 15 PRO B C 2243 O O . PRO B 15 ? 0.5086 0.5342 1.1106 -0.0468 -0.3518 0.0740 15 PRO B O 2244 C CB . PRO B 15 ? 0.4592 0.5032 0.9424 -0.0347 -0.2697 0.0855 15 PRO B CB 2245 C CG . PRO B 15 ? 0.4692 0.5003 0.9401 -0.0495 -0.2638 0.1065 15 PRO B CG 2246 C CD . PRO B 15 ? 0.4896 0.4771 1.0127 -0.0584 -0.3133 0.1077 15 PRO B CD 2247 N N . GLU B 16 ? 0.5091 0.5122 1.0355 0.0146 -0.3444 0.0057 16 GLU B N 2248 C CA . GLU B 16 ? 0.5388 0.5517 1.1101 0.0157 -0.3735 -0.0066 16 GLU B CA 2249 C C . GLU B 16 ? 0.5255 0.5634 1.0540 0.0392 -0.3525 -0.0217 16 GLU B C 2250 O O . GLU B 16 ? 0.5336 0.5626 1.0079 0.0660 -0.3458 -0.0460 16 GLU B O 2251 C CB . GLU B 16 ? 0.5670 0.5462 1.1682 0.0314 -0.4206 -0.0451 16 GLU B CB 2252 C CG . GLU B 16 ? 0.6322 0.6188 1.2833 0.0350 -0.4572 -0.0650 16 GLU B CG 2253 C CD . GLU B 16 ? 0.7272 0.6785 1.4523 0.0301 -0.5142 -0.0848 16 GLU B CD 2254 O OE1 . GLU B 16 ? 0.7589 0.6792 1.4913 0.0285 -0.5247 -0.0862 16 GLU B OE1 2255 O OE2 . GLU B 16 ? 0.7501 0.7030 1.5319 0.0284 -0.5521 -0.1000 16 GLU B OE2 2256 N N . ASN B 17 ? 0.5147 0.5889 1.0703 0.0277 -0.3438 -0.0052 17 ASN B N 2257 C CA . ASN B 17 ? 0.5145 0.6090 1.0424 0.0507 -0.3323 -0.0187 17 ASN B CA 2258 C C . ASN B 17 ? 0.5311 0.6087 1.0352 0.0788 -0.3591 -0.0529 17 ASN B C 2259 O O . ASN B 17 ? 0.5561 0.6255 1.0988 0.0787 -0.3956 -0.0722 17 ASN B O 2260 C CB . ASN B 17 ? 0.5066 0.6473 1.0874 0.0363 -0.3314 -0.0061 17 ASN B CB 2261 C CG . ASN B 17 ? 0.5062 0.6880 1.0970 0.0133 -0.2970 0.0218 17 ASN B CG 2262 O OD1 . ASN B 17 ? 0.4943 0.6680 1.0414 0.0168 -0.2696 0.0275 17 ASN B OD1 2263 N ND2 . ASN B 17 ? 0.5296 0.7647 1.1795 -0.0112 -0.2984 0.0378 17 ASN B ND2 2264 N N . GLY B 18 ? 0.5216 0.5976 0.9637 0.1010 -0.3436 -0.0597 18 GLY B N 2265 C CA . GLY B 18 ? 0.5416 0.6191 0.9502 0.1253 -0.3657 -0.0864 18 GLY B CA 2266 C C . GLY B 18 ? 0.5590 0.6256 0.9283 0.1363 -0.3712 -0.1099 18 GLY B C 2267 O O . GLY B 18 ? 0.5829 0.6669 0.9146 0.1554 -0.3852 -0.1328 18 GLY B O 2268 N N . LYS B 19 ? 0.5362 0.5829 0.9145 0.1243 -0.3610 -0.1053 19 LYS B N 2269 C CA . LYS B 19 ? 0.5516 0.5932 0.9040 0.1363 -0.3674 -0.1337 19 LYS B CA 2270 C C . LYS B 19 ? 0.5353 0.5731 0.8321 0.1356 -0.3309 -0.1173 19 LYS B C 2271 O O . LYS B 19 ? 0.5079 0.5293 0.8130 0.1186 -0.3083 -0.0881 19 LYS B O 2272 C CB . LYS B 19 ? 0.5566 0.5748 0.9748 0.1276 -0.3986 -0.1509 19 LYS B CB 2273 N N . PRO B 20 ? 0.5513 0.6127 0.7925 0.1524 -0.3261 -0.1364 20 PRO B N 2274 C CA . PRO B 20 ? 0.5345 0.5985 0.7258 0.1507 -0.2951 -0.1230 20 PRO B CA 2275 C C . PRO B 20 ? 0.5136 0.5518 0.7320 0.1414 -0.2895 -0.1247 20 PRO B C 2276 O O . PRO B 20 ? 0.5198 0.5507 0.7805 0.1460 -0.3172 -0.1547 20 PRO B O 2277 C CB . PRO B 20 ? 0.5627 0.6735 0.7072 0.1685 -0.3025 -0.1542 20 PRO B CB 2278 C CG . PRO B 20 ? 0.6010 0.7339 0.7493 0.1784 -0.3286 -0.1663 20 PRO B CG 2279 C CD . PRO B 20 ? 0.5922 0.6909 0.8144 0.1720 -0.3511 -0.1713 20 PRO B CD 2280 N N . ASN B 21 ? 0.4847 0.5085 0.6828 0.1290 -0.2584 -0.0936 21 ASN B N 2281 C CA . ASN B 21 ? 0.4671 0.4675 0.6867 0.1172 -0.2514 -0.0864 21 ASN B CA 2282 C C . ASN B 21 ? 0.4524 0.4566 0.6220 0.1153 -0.2178 -0.0705 21 ASN B C 2283 O O . ASN B 21 ? 0.4645 0.4885 0.5897 0.1217 -0.2054 -0.0653 21 ASN B O 2284 C CB . ASN B 21 ? 0.4502 0.4333 0.7135 0.0960 -0.2510 -0.0561 21 ASN B CB 2285 C CG . ASN B 21 ? 0.4514 0.4126 0.7555 0.0797 -0.2622 -0.0474 21 ASN B CG 2286 O OD1 . ASN B 21 ? 0.4306 0.3827 0.7205 0.0822 -0.2560 -0.0534 21 ASN B OD1 2287 N ND2 . ASN B 21 ? 0.4149 0.3710 0.7729 0.0601 -0.2806 -0.0288 21 ASN B ND2 2288 N N . ILE B 22 ? 0.4346 0.4208 0.6135 0.1043 -0.2061 -0.0591 22 ILE B N 2289 C CA . ILE B 22 ? 0.4105 0.3975 0.5507 0.1001 -0.1758 -0.0426 22 ILE B CA 2290 C C . ILE B 22 ? 0.3913 0.3610 0.5500 0.0824 -0.1617 -0.0143 22 ILE B C 2291 O O . ILE B 22 ? 0.3874 0.3466 0.5845 0.0709 -0.1753 -0.0093 22 ILE B O 2292 C CB . ILE B 22 ? 0.4280 0.4244 0.5576 0.1074 -0.1759 -0.0660 22 ILE B CB 2293 C CG1 . ILE B 22 ? 0.4514 0.4900 0.5474 0.1235 -0.1791 -0.0923 22 ILE B CG1 2294 C CG2 . ILE B 22 ? 0.3801 0.3688 0.4879 0.0975 -0.1488 -0.0461 22 ILE B CG2 2295 C CD1 . ILE B 22 ? 0.5047 0.5658 0.6176 0.1384 -0.1966 -0.1371 22 ILE B CD1 2296 N N . LEU B 23 ? 0.3713 0.3428 0.5066 0.0793 -0.1381 0.0037 23 LEU B N 2297 C CA . LEU B 23 ? 0.3511 0.3214 0.4984 0.0656 -0.1216 0.0219 23 LEU B CA 2298 C C . LEU B 23 ? 0.3466 0.3101 0.4695 0.0625 -0.1031 0.0255 23 LEU B C 2299 O O . LEU B 23 ? 0.3558 0.3173 0.4490 0.0696 -0.0943 0.0239 23 LEU B O 2300 C CB . LEU B 23 ? 0.3469 0.3279 0.4988 0.0684 -0.1134 0.0292 23 LEU B CB 2301 C CG . LEU B 23 ? 0.3398 0.3416 0.5135 0.0574 -0.0990 0.0377 23 LEU B CG 2302 C CD1 . LEU B 23 ? 0.3185 0.3405 0.5268 0.0395 -0.1078 0.0475 23 LEU B CD1 2303 C CD2 . LEU B 23 ? 0.3439 0.3583 0.5287 0.0684 -0.0966 0.0328 23 LEU B CD2 2304 N N . ASN B 24 ? 0.3291 0.2922 0.4661 0.0492 -0.0999 0.0340 24 ASN B N 2305 C CA . ASN B 24 ? 0.3264 0.2850 0.4459 0.0450 -0.0853 0.0369 24 ASN B CA 2306 C C . ASN B 24 ? 0.3305 0.3045 0.4492 0.0363 -0.0665 0.0473 24 ASN B C 2307 O O . ASN B 24 ? 0.3285 0.3266 0.4683 0.0260 -0.0663 0.0562 24 ASN B O 2308 C CB . ASN B 24 ? 0.3345 0.2844 0.4719 0.0368 -0.1004 0.0380 24 ASN B CB 2309 C CG . ASN B 24 ? 0.3592 0.2991 0.5078 0.0498 -0.1237 0.0154 24 ASN B CG 2310 O OD1 . ASN B 24 ? 0.4083 0.3565 0.5339 0.0642 -0.1191 -0.0023 24 ASN B OD1 2311 N ND2 . ASN B 24 ? 0.3749 0.3023 0.5629 0.0438 -0.1519 0.0157 24 ASN B ND2 2312 N N . CYS B 25 ? 0.3278 0.2961 0.4256 0.0399 -0.0516 0.0438 25 CYS B N 2313 C CA . CYS B 25 ? 0.3331 0.3193 0.4324 0.0346 -0.0367 0.0442 25 CYS B CA 2314 C C . CYS B 25 ? 0.3309 0.3094 0.4153 0.0292 -0.0305 0.0447 25 CYS B C 2315 O O . CYS B 25 ? 0.3364 0.2965 0.4054 0.0351 -0.0271 0.0399 25 CYS B O 2316 C CB . CYS B 25 ? 0.3442 0.3284 0.4458 0.0468 -0.0311 0.0343 25 CYS B CB 2317 S SG . CYS B 25 ? 0.3957 0.4112 0.5075 0.0455 -0.0166 0.0198 25 CYS B SG 2318 N N . TYR B 26 ? 0.3322 0.3298 0.4224 0.0154 -0.0309 0.0541 26 TYR B N 2319 C CA . TYR B 26 ? 0.3291 0.3216 0.4093 0.0094 -0.0298 0.0565 26 TYR B CA 2320 C C . TYR B 26 ? 0.3272 0.3493 0.4002 0.0048 -0.0147 0.0513 26 TYR B C 2321 O O . TYR B 26 ? 0.3452 0.4093 0.4244 -0.0059 -0.0112 0.0578 26 TYR B O 2322 C CB . TYR B 26 ? 0.3449 0.3367 0.4406 -0.0042 -0.0493 0.0744 26 TYR B CB 2323 C CG . TYR B 26 ? 0.3397 0.3218 0.4321 -0.0091 -0.0563 0.0780 26 TYR B CG 2324 C CD1 . TYR B 26 ? 0.3376 0.2991 0.4203 0.0040 -0.0531 0.0598 26 TYR B CD1 2325 C CD2 . TYR B 26 ? 0.3647 0.3637 0.4659 -0.0288 -0.0684 0.1023 26 TYR B CD2 2326 C CE1 . TYR B 26 ? 0.3559 0.3116 0.4414 0.0013 -0.0612 0.0599 26 TYR B CE1 2327 C CE2 . TYR B 26 ? 0.4034 0.3913 0.5054 -0.0326 -0.0801 0.1071 26 TYR B CE2 2328 C CZ . TYR B 26 ? 0.3974 0.3622 0.4933 -0.0154 -0.0762 0.0825 26 TYR B CZ 2329 O OH . TYR B 26 ? 0.4564 0.4135 0.5587 -0.0174 -0.0893 0.0840 26 TYR B OH 2330 N N . VAL B 27 ? 0.3211 0.3291 0.3835 0.0121 -0.0069 0.0382 27 VAL B N 2331 C CA . VAL B 27 ? 0.3241 0.3583 0.3853 0.0127 0.0038 0.0231 27 VAL B CA 2332 C C . VAL B 27 ? 0.3406 0.3752 0.3901 0.0048 0.0033 0.0257 27 VAL B C 2333 O O . VAL B 27 ? 0.3407 0.3438 0.3862 0.0073 -0.0002 0.0271 27 VAL B O 2334 C CB . VAL B 27 ? 0.3321 0.3458 0.4027 0.0276 0.0062 0.0042 27 VAL B CB 2335 C CG1 . VAL B 27 ? 0.3130 0.3552 0.3937 0.0325 0.0115 -0.0218 27 VAL B CG1 2336 C CG2 . VAL B 27 ? 0.2895 0.2976 0.3733 0.0363 0.0014 0.0046 27 VAL B CG2 2337 N N . THR B 28 ? 0.3419 0.4209 0.3860 -0.0054 0.0064 0.0266 28 THR B N 2338 C CA . THR B 28 ? 0.3582 0.4406 0.3915 -0.0156 0.0007 0.0360 28 THR B CA 2339 C C . THR B 28 ? 0.3792 0.5099 0.4036 -0.0181 0.0088 0.0192 28 THR B C 2340 O O . THR B 28 ? 0.3924 0.5645 0.4218 -0.0126 0.0185 -0.0012 28 THR B O 2341 C CB . THR B 28 ? 0.3656 0.4607 0.3999 -0.0350 -0.0152 0.0707 28 THR B CB 2342 O OG1 . THR B 28 ? 0.3443 0.4951 0.3790 -0.0480 -0.0102 0.0820 28 THR B OG1 2343 C CG2 . THR B 28 ? 0.3564 0.4048 0.4065 -0.0313 -0.0310 0.0818 28 THR B CG2 2344 N N . GLN B 29 ? 0.3960 0.5280 0.4100 -0.0255 0.0024 0.0249 29 GLN B N 2345 C CA . GLN B 29 ? 0.4220 0.6098 0.4222 -0.0319 0.0056 0.0134 29 GLN B CA 2346 C C . GLN B 29 ? 0.4083 0.6048 0.4178 -0.0141 0.0151 -0.0318 29 GLN B C 2347 O O . GLN B 29 ? 0.4313 0.6918 0.4343 -0.0141 0.0199 -0.0545 29 GLN B O 2348 C CB . GLN B 29 ? 0.4419 0.7060 0.4294 -0.0511 0.0073 0.0334 29 GLN B CB 2349 C CG . GLN B 29 ? 0.5324 0.7915 0.5174 -0.0756 -0.0117 0.0861 29 GLN B CG 2350 C CD . GLN B 29 ? 0.6549 0.8894 0.6342 -0.0829 -0.0306 0.1030 29 GLN B CD 2351 O OE1 . GLN B 29 ? 0.7029 0.9779 0.6640 -0.0867 -0.0291 0.0935 29 GLN B OE1 2352 N NE2 . GLN B 29 ? 0.6825 0.8541 0.6811 -0.0825 -0.0512 0.1230 29 GLN B NE2 2353 N N . PHE B 30 ? 0.3781 0.5166 0.4060 0.0000 0.0147 -0.0452 30 PHE B N 2354 C CA . PHE B 30 ? 0.3778 0.5141 0.4276 0.0156 0.0148 -0.0860 30 PHE B CA 2355 C C . PHE B 30 ? 0.3772 0.4813 0.4355 0.0162 0.0078 -0.0960 30 PHE B C 2356 O O . PHE B 30 ? 0.3598 0.4334 0.4101 0.0077 0.0054 -0.0724 30 PHE B O 2357 C CB . PHE B 30 ? 0.3621 0.4653 0.4373 0.0290 0.0134 -0.0945 30 PHE B CB 2358 C CG . PHE B 30 ? 0.3387 0.3813 0.4128 0.0254 0.0107 -0.0643 30 PHE B CG 2359 C CD1 . PHE B 30 ? 0.2865 0.3256 0.3454 0.0187 0.0131 -0.0362 30 PHE B CD1 2360 C CD2 . PHE B 30 ? 0.3064 0.3032 0.3975 0.0272 0.0039 -0.0646 30 PHE B CD2 2361 C CE1 . PHE B 30 ? 0.2986 0.2950 0.3558 0.0180 0.0103 -0.0167 30 PHE B CE1 2362 C CE2 . PHE B 30 ? 0.3095 0.2701 0.3952 0.0217 0.0035 -0.0370 30 PHE B CE2 2363 C CZ . PHE B 30 ? 0.2688 0.2329 0.3361 0.0192 0.0076 -0.0174 30 PHE B CZ 2364 N N . HIS B 31 ? 0.3959 0.5135 0.4762 0.0273 0.0023 -0.1357 31 HIS B N 2365 C CA A HIS B 31 ? 0.4100 0.4945 0.5114 0.0282 -0.0079 -0.1494 31 HIS B CA 2366 C CA B HIS B 31 ? 0.4053 0.4936 0.5051 0.0278 -0.0079 -0.1503 31 HIS B CA 2367 C C . HIS B 31 ? 0.4308 0.5225 0.5725 0.0454 -0.0204 -0.1983 31 HIS B C 2368 O O . HIS B 31 ? 0.4443 0.5954 0.5869 0.0566 -0.0187 -0.2331 31 HIS B O 2369 C CB A HIS B 31 ? 0.4121 0.5164 0.4922 0.0171 -0.0090 -0.1427 31 HIS B CB 2370 C CB B HIS B 31 ? 0.4072 0.5331 0.4833 0.0187 -0.0085 -0.1513 31 HIS B CB 2371 C CG A HIS B 31 ? 0.4491 0.6269 0.5107 0.0179 -0.0088 -0.1669 31 HIS B CG 2372 C CG B HIS B 31 ? 0.4055 0.4926 0.4895 0.0107 -0.0149 -0.1391 31 HIS B CG 2373 N ND1 A HIS B 31 ? 0.4637 0.6908 0.4888 0.0054 -0.0028 -0.1410 31 HIS B ND1 2374 N ND1 B HIS B 31 ? 0.4290 0.4917 0.5478 0.0140 -0.0261 -0.1630 31 HIS B ND1 2375 C CD2 A HIS B 31 ? 0.5028 0.7194 0.5778 0.0278 -0.0164 -0.2134 31 HIS B CD2 2376 C CD2 B HIS B 31 ? 0.3739 0.4490 0.4418 -0.0003 -0.0142 -0.1087 31 HIS B CD2 2377 C CE1 A HIS B 31 ? 0.5049 0.8062 0.5156 0.0052 -0.0038 -0.1666 31 HIS B CE1 2378 C CE1 B HIS B 31 ? 0.4114 0.4536 0.5315 0.0031 -0.0279 -0.1448 31 HIS B CE1 2379 N NE2 A HIS B 31 ? 0.5247 0.8233 0.5645 0.0212 -0.0113 -0.2157 31 HIS B NE2 2380 N NE2 B HIS B 31 ? 0.3887 0.4394 0.4788 -0.0035 -0.0206 -0.1151 31 HIS B NE2 2381 N N . PRO B 32 ? 0.4497 0.4838 0.6312 0.0471 -0.0361 -0.2016 32 PRO B N 2382 C CA . PRO B 32 ? 0.4510 0.4294 0.6375 0.0315 -0.0385 -0.1634 32 PRO B CA 2383 C C . PRO B 32 ? 0.4446 0.3952 0.6178 0.0264 -0.0306 -0.1242 32 PRO B C 2384 O O . PRO B 32 ? 0.4366 0.4005 0.6054 0.0364 -0.0271 -0.1289 32 PRO B O 2385 C CB . PRO B 32 ? 0.4839 0.4248 0.7275 0.0346 -0.0636 -0.1852 32 PRO B CB 2386 C CG . PRO B 32 ? 0.5068 0.4618 0.7825 0.0573 -0.0770 -0.2288 32 PRO B CG 2387 C CD . PRO B 32 ? 0.4805 0.5096 0.7151 0.0660 -0.0572 -0.2491 32 PRO B CD 2388 N N . PRO B 33 ? 0.4412 0.3633 0.6094 0.0111 -0.0278 -0.0890 33 PRO B N 2389 C CA . PRO B 33 ? 0.4374 0.3491 0.5839 0.0065 -0.0184 -0.0554 33 PRO B CA 2390 C C . PRO B 33 ? 0.4583 0.3374 0.6286 0.0085 -0.0307 -0.0432 33 PRO B C 2391 O O . PRO B 33 ? 0.4741 0.3502 0.6256 0.0074 -0.0248 -0.0201 33 PRO B O 2392 C CB . PRO B 33 ? 0.4207 0.3327 0.5559 -0.0089 -0.0112 -0.0318 33 PRO B CB 2393 C CG . PRO B 33 ? 0.4536 0.3545 0.6217 -0.0171 -0.0229 -0.0420 33 PRO B CG 2394 C CD . PRO B 33 ? 0.4478 0.3568 0.6322 -0.0027 -0.0332 -0.0821 33 PRO B CD 2395 N N . HIS B 34 ? 0.4830 0.3376 0.6979 0.0126 -0.0520 -0.0599 34 HIS B N 2396 C CA . HIS B 34 ? 0.5096 0.3292 0.7544 0.0153 -0.0714 -0.0467 34 HIS B CA 2397 C C . HIS B 34 ? 0.4933 0.3298 0.7363 0.0368 -0.0699 -0.0697 34 HIS B C 2398 O O . HIS B 34 ? 0.4946 0.3618 0.7490 0.0539 -0.0698 -0.1137 34 HIS B O 2399 C CB . HIS B 34 ? 0.5554 0.3362 0.8621 0.0126 -0.1038 -0.0565 34 HIS B CB 2400 C CG . HIS B 34 ? 0.6466 0.3841 0.9937 0.0139 -0.1330 -0.0379 34 HIS B CG 2401 N ND1 . HIS B 34 ? 0.6981 0.4238 1.0229 -0.0016 -0.1310 0.0139 34 HIS B ND1 2402 C CD2 . HIS B 34 ? 0.7234 0.4286 1.1355 0.0300 -0.1693 -0.0659 34 HIS B CD2 2403 C CE1 . HIS B 34 ? 0.7374 0.4224 1.1085 0.0021 -0.1651 0.0240 34 HIS B CE1 2404 N NE2 . HIS B 34 ? 0.7688 0.4369 1.1976 0.0224 -0.1904 -0.0249 34 HIS B NE2 2405 N N . ILE B 35 ? 0.4724 0.2979 0.7011 0.0350 -0.0685 -0.0406 35 ILE B N 2406 C CA . ILE B 35 ? 0.4434 0.2905 0.6642 0.0511 -0.0630 -0.0543 35 ILE B CA 2407 C C . ILE B 35 ? 0.4503 0.2682 0.6757 0.0492 -0.0759 -0.0222 35 ILE B C 2408 O O . ILE B 35 ? 0.4530 0.2538 0.6609 0.0310 -0.0764 0.0182 35 ILE B O 2409 C CB . ILE B 35 ? 0.4087 0.2993 0.5788 0.0474 -0.0347 -0.0502 35 ILE B CB 2410 C CG1 . ILE B 35 ? 0.3947 0.3256 0.5655 0.0616 -0.0285 -0.0738 35 ILE B CG1 2411 C CG2 . ILE B 35 ? 0.3811 0.2614 0.5183 0.0341 -0.0262 -0.0111 35 ILE B CG2 2412 C CD1 . ILE B 35 ? 0.3552 0.3320 0.4887 0.0538 -0.0082 -0.0694 35 ILE B CD1 2413 N N . GLU B 36 ? 0.4487 0.2714 0.6967 0.0675 -0.0860 -0.0413 36 GLU B N 2414 C CA . GLU B 36 ? 0.4636 0.2639 0.7154 0.0685 -0.1001 -0.0139 36 GLU B CA 2415 C C . GLU B 36 ? 0.4415 0.2798 0.6701 0.0788 -0.0831 -0.0239 36 GLU B C 2416 O O . GLU B 36 ? 0.4221 0.2963 0.6684 0.0947 -0.0782 -0.0624 36 GLU B O 2417 C CB . GLU B 36 ? 0.5065 0.2674 0.8238 0.0813 -0.1393 -0.0249 36 GLU B CB 2418 N N . ILE B 37 ? 0.4403 0.2784 0.6311 0.0683 -0.0746 0.0096 37 ILE B N 2419 C CA . ILE B 37 ? 0.4223 0.2908 0.5916 0.0731 -0.0616 0.0073 37 ILE B CA 2420 C C . ILE B 37 ? 0.4422 0.2928 0.6148 0.0764 -0.0790 0.0294 37 ILE B C 2421 O O . ILE B 37 ? 0.4633 0.2924 0.6198 0.0643 -0.0880 0.0628 37 ILE B O 2422 C CB . ILE B 37 ? 0.4017 0.2885 0.5275 0.0598 -0.0406 0.0205 37 ILE B CB 2423 C CG1 . ILE B 37 ? 0.3996 0.3067 0.5225 0.0564 -0.0270 0.0015 37 ILE B CG1 2424 C CG2 . ILE B 37 ? 0.3579 0.2684 0.4691 0.0619 -0.0343 0.0221 37 ILE B CG2 2425 C CD1 . ILE B 37 ? 0.3766 0.2927 0.4665 0.0442 -0.0142 0.0150 37 ILE B CD1 2426 N N . GLN B 38 ? 0.4314 0.2985 0.6263 0.0916 -0.0846 0.0110 38 GLN B N 2427 C CA . GLN B 38 ? 0.4478 0.3039 0.6452 0.0962 -0.1014 0.0289 38 GLN B CA 2428 C C . GLN B 38 ? 0.4233 0.3168 0.6087 0.0995 -0.0879 0.0194 38 GLN B C 2429 O O . GLN B 38 ? 0.4032 0.3344 0.5997 0.1029 -0.0732 -0.0057 38 GLN B O 2430 C CB . GLN B 38 ? 0.4865 0.3225 0.7401 0.1141 -0.1315 0.0147 38 GLN B CB 2431 C CG . GLN B 38 ? 0.5291 0.3315 0.8227 0.1172 -0.1519 0.0062 38 GLN B CG 2432 C CD . GLN B 38 ? 0.6137 0.3977 0.9757 0.1404 -0.1882 -0.0168 38 GLN B CD 2433 O OE1 . GLN B 38 ? 0.5950 0.4170 0.9837 0.1606 -0.1855 -0.0543 38 GLN B OE1 2434 N NE2 . GLN B 38 ? 0.6588 0.3875 1.0563 0.1369 -0.2256 0.0057 38 GLN B NE2 2435 N N . MET B 39 ? 0.4230 0.3117 0.5884 0.0967 -0.0955 0.0409 39 MET B N 2436 C CA . MET B 39 ? 0.4045 0.3214 0.5722 0.1010 -0.0923 0.0324 39 MET B CA 2437 C C . MET B 39 ? 0.4325 0.3412 0.6311 0.1152 -0.1168 0.0318 39 MET B C 2438 O O . MET B 39 ? 0.4674 0.3441 0.6642 0.1156 -0.1387 0.0545 39 MET B O 2439 C CB . MET B 39 ? 0.4024 0.3247 0.5305 0.0901 -0.0858 0.0475 39 MET B CB 2440 C CG . MET B 39 ? 0.3733 0.3025 0.4804 0.0785 -0.0665 0.0451 39 MET B CG 2441 S SD . MET B 39 ? 0.4692 0.4087 0.5489 0.0717 -0.0651 0.0484 39 MET B SD 2442 C CE . MET B 39 ? 0.3689 0.3308 0.4758 0.0693 -0.0670 0.0391 39 MET B CE 2443 N N . LEU B 40 ? 0.4172 0.3595 0.6474 0.1251 -0.1153 0.0085 40 LEU B N 2444 C CA . LEU B 40 ? 0.4275 0.3700 0.7002 0.1427 -0.1392 -0.0017 40 LEU B CA 2445 C C . LEU B 40 ? 0.4170 0.3868 0.6909 0.1427 -0.1407 -0.0011 40 LEU B C 2446 O O . LEU B 40 ? 0.3981 0.4012 0.6628 0.1317 -0.1217 -0.0053 40 LEU B O 2447 C CB . LEU B 40 ? 0.4226 0.3951 0.7482 0.1588 -0.1380 -0.0422 40 LEU B CB 2448 C CG . LEU B 40 ? 0.4581 0.4148 0.7940 0.1613 -0.1362 -0.0569 40 LEU B CG 2449 C CD1 . LEU B 40 ? 0.4560 0.4657 0.8466 0.1808 -0.1338 -0.1099 40 LEU B CD1 2450 C CD2 . LEU B 40 ? 0.4803 0.3693 0.8252 0.1633 -0.1684 -0.0322 40 LEU B CD2 2451 N N . LYS B 41 ? 0.4317 0.3857 0.7211 0.1537 -0.1678 0.0070 41 LYS B N 2452 C CA . LYS B 41 ? 0.4162 0.3970 0.7190 0.1572 -0.1750 0.0024 41 LYS B CA 2453 C C . LYS B 41 ? 0.4218 0.4138 0.7868 0.1795 -0.1964 -0.0210 41 LYS B C 2454 O O . LYS B 41 ? 0.4495 0.4025 0.8312 0.1911 -0.2251 -0.0122 41 LYS B O 2455 C CB . LYS B 41 ? 0.4332 0.3905 0.6962 0.1520 -0.1919 0.0309 41 LYS B CB 2456 C CG . LYS B 41 ? 0.4611 0.4433 0.7395 0.1565 -0.2041 0.0243 41 LYS B CG 2457 C CD . LYS B 41 ? 0.4922 0.4576 0.7384 0.1575 -0.2292 0.0470 41 LYS B CD 2458 C CE . LYS B 41 ? 0.4997 0.4921 0.7671 0.1627 -0.2422 0.0343 41 LYS B CE 2459 N NZ . LYS B 41 ? 0.5115 0.4957 0.7612 0.1695 -0.2740 0.0512 41 LYS B NZ 2460 N N . ASN B 42 ? 0.3962 0.4459 0.8001 0.1840 -0.1847 -0.0502 42 ASN B N 2461 C CA . ASN B 42 ? 0.4140 0.4939 0.8864 0.2081 -0.2006 -0.0857 42 ASN B CA 2462 C C . ASN B 42 ? 0.4402 0.4927 0.9436 0.2258 -0.2151 -0.1053 42 ASN B C 2463 O O . ASN B 42 ? 0.4911 0.5216 1.0452 0.2487 -0.2508 -0.1181 42 ASN B O 2464 C CB . ASN B 42 ? 0.4306 0.4988 0.9264 0.2205 -0.2334 -0.0783 42 ASN B CB 2465 C CG . ASN B 42 ? 0.4129 0.5073 0.8869 0.2046 -0.2244 -0.0644 42 ASN B CG 2466 O OD1 . ASN B 42 ? 0.3804 0.5317 0.8659 0.1920 -0.1995 -0.0771 42 ASN B OD1 2467 N ND2 . ASN B 42 ? 0.4216 0.4790 0.8674 0.2036 -0.2480 -0.0375 42 ASN B ND2 2468 N N . GLY B 43 ? 0.4351 0.4854 0.9138 0.2156 -0.1928 -0.1080 43 GLY B N 2469 C CA . GLY B 43 ? 0.4668 0.4945 0.9806 0.2316 -0.2074 -0.1323 43 GLY B CA 2470 C C . GLY B 43 ? 0.5121 0.4539 1.0108 0.2279 -0.2374 -0.0940 43 GLY B C 2471 O O . GLY B 43 ? 0.5390 0.4519 1.0648 0.2354 -0.2515 -0.1070 43 GLY B O 2472 N N . LYS B 44 ? 0.5254 0.4329 0.9822 0.2142 -0.2484 -0.0467 44 LYS B N 2473 C CA . LYS B 44 ? 0.5732 0.4145 1.0080 0.2032 -0.2755 0.0000 44 LYS B CA 2474 C C . LYS B 44 ? 0.5562 0.3898 0.9162 0.1751 -0.2470 0.0341 44 LYS B C 2475 O O . LYS B 44 ? 0.5229 0.3875 0.8393 0.1642 -0.2196 0.0371 44 LYS B O 2476 C CB . LYS B 44 ? 0.6002 0.4197 1.0384 0.2066 -0.3119 0.0311 44 LYS B CB 2477 C CG . LYS B 44 ? 0.6451 0.4639 1.1652 0.2362 -0.3493 0.0002 44 LYS B CG 2478 C CD . LYS B 44 ? 0.6597 0.5065 1.1830 0.2440 -0.3594 0.0011 44 LYS B CD 2479 C CE . LYS B 44 ? 0.7215 0.5299 1.2062 0.2308 -0.3911 0.0595 44 LYS B CE 2480 N NZ . LYS B 44 ? 0.7960 0.6182 1.3127 0.2473 -0.4208 0.0544 44 LYS B NZ 2481 N N . LYS B 45 ? 0.5971 0.3893 0.9500 0.1637 -0.2586 0.0599 45 LYS B N 2482 C CA . LYS B 45 ? 0.6063 0.3952 0.8962 0.1379 -0.2353 0.0912 45 LYS B CA 2483 C C . LYS B 45 ? 0.6147 0.4188 0.8447 0.1229 -0.2314 0.1265 45 LYS B C 2484 O O . LYS B 45 ? 0.6535 0.4438 0.8814 0.1207 -0.2617 0.1583 45 LYS B O 2485 C CB . LYS B 45 ? 0.6514 0.3942 0.9575 0.1266 -0.2577 0.1180 45 LYS B CB 2486 C CG . LYS B 45 ? 0.6641 0.4118 0.9320 0.1068 -0.2288 0.1260 45 LYS B CG 2487 C CD . LYS B 45 ? 0.7681 0.4761 1.0407 0.0852 -0.2531 0.1717 45 LYS B CD 2488 C CE . LYS B 45 ? 0.7699 0.4958 0.9990 0.0645 -0.2191 0.1783 45 LYS B CE 2489 N NZ . LYS B 45 ? 0.8458 0.5417 1.0850 0.0396 -0.2388 0.2209 45 LYS B NZ 2490 N N . ILE B 46 ? 0.5842 0.4197 0.7694 0.1136 -0.1974 0.1182 46 ILE B N 2491 C CA . ILE B 46 ? 0.6052 0.4638 0.7352 0.1015 -0.1913 0.1393 46 ILE B CA 2492 C C . ILE B 46 ? 0.6521 0.5058 0.7462 0.0798 -0.1896 0.1754 46 ILE B C 2493 O O . ILE B 46 ? 0.6421 0.4875 0.7377 0.0722 -0.1727 0.1703 46 ILE B O 2494 C CB . ILE B 46 ? 0.5595 0.4514 0.6712 0.1027 -0.1627 0.1100 46 ILE B CB 2495 C CG1 . ILE B 46 ? 0.5195 0.4240 0.6733 0.1174 -0.1631 0.0804 46 ILE B CG1 2496 C CG2 . ILE B 46 ? 0.5658 0.4853 0.6332 0.0972 -0.1631 0.1178 46 ILE B CG2 2497 C CD1 . ILE B 46 ? 0.4760 0.4076 0.6262 0.1132 -0.1402 0.0593 46 ILE B CD1 2498 N N . PRO B 47 ? 0.7051 0.5722 0.7668 0.0679 -0.2074 0.2131 47 PRO B N 2499 C CA . PRO B 47 ? 0.7494 0.6241 0.7812 0.0422 -0.2094 0.2559 47 PRO B CA 2500 C C . PRO B 47 ? 0.7434 0.6680 0.7253 0.0301 -0.1768 0.2478 47 PRO B C 2501 O O . PRO B 47 ? 0.7641 0.6902 0.7400 0.0129 -0.1657 0.2633 47 PRO B O 2502 C CB . PRO B 47 ? 0.8124 0.6958 0.8290 0.0326 -0.2435 0.3017 47 PRO B CB 2503 C CG . PRO B 47 ? 0.7893 0.6751 0.8198 0.0570 -0.2552 0.2740 47 PRO B CG 2504 C CD . PRO B 47 ? 0.7273 0.6130 0.7778 0.0758 -0.2269 0.2183 47 PRO B CD 2505 N N . LYS B 48 ? 0.7273 0.6929 0.6812 0.0400 -0.1643 0.2201 48 LYS B N 2506 C CA . LYS B 48 ? 0.7295 0.7492 0.6428 0.0318 -0.1403 0.2078 48 LYS B CA 2507 C C . LYS B 48 ? 0.6803 0.6896 0.6095 0.0407 -0.1152 0.1673 48 LYS B C 2508 O O . LYS B 48 ? 0.6804 0.7172 0.6010 0.0514 -0.1062 0.1329 48 LYS B O 2509 C CB . LYS B 48 ? 0.7430 0.8211 0.6206 0.0385 -0.1453 0.1936 48 LYS B CB 2510 C CG . LYS B 48 ? 0.8321 0.9392 0.6814 0.0265 -0.1708 0.2370 48 LYS B CG 2511 C CD . LYS B 48 ? 0.8970 1.0359 0.7183 -0.0048 -0.1708 0.2899 48 LYS B CD 2512 C CE . LYS B 48 ? 0.9769 1.1762 0.7550 -0.0198 -0.1917 0.3290 48 LYS B CE 2513 N NZ . LYS B 48 ? 1.0539 1.2751 0.8150 -0.0576 -0.2003 0.3980 48 LYS B NZ 2514 N N . VAL B 49 ? 0.6485 0.6191 0.6046 0.0366 -0.1081 0.1703 49 VAL B N 2515 C CA . VAL B 49 ? 0.5871 0.5488 0.5585 0.0446 -0.0885 0.1358 49 VAL B CA 2516 C C . VAL B 49 ? 0.5810 0.5700 0.5326 0.0332 -0.0699 0.1332 49 VAL B C 2517 O O . VAL B 49 ? 0.5929 0.5759 0.5450 0.0176 -0.0674 0.1570 49 VAL B O 2518 C CB . VAL B 49 ? 0.5701 0.4879 0.5832 0.0513 -0.0904 0.1279 49 VAL B CB 2519 C CG1 . VAL B 49 ? 0.4985 0.4165 0.5208 0.0537 -0.0708 0.1011 49 VAL B CG1 2520 C CG2 . VAL B 49 ? 0.5701 0.4778 0.6069 0.0659 -0.1054 0.1188 49 VAL B CG2 2521 N N . GLU B 50 ? 0.5586 0.5785 0.4996 0.0411 -0.0607 0.1031 50 GLU B N 2522 C CA . GLU B 50 ? 0.5524 0.6044 0.4819 0.0347 -0.0451 0.0922 50 GLU B CA 2523 C C . GLU B 50 ? 0.5170 0.5342 0.4716 0.0358 -0.0354 0.0798 50 GLU B C 2524 O O . GLU B 50 ? 0.4987 0.4870 0.4747 0.0450 -0.0388 0.0664 50 GLU B O 2525 C CB . GLU B 50 ? 0.5555 0.6580 0.4730 0.0468 -0.0457 0.0575 50 GLU B CB 2526 C CG . GLU B 50 ? 0.6348 0.7942 0.5202 0.0461 -0.0538 0.0627 50 GLU B CG 2527 C CD . GLU B 50 ? 0.7348 0.9693 0.6078 0.0566 -0.0504 0.0206 50 GLU B CD 2528 O OE1 . GLU B 50 ? 0.7301 0.9735 0.6204 0.0623 -0.0418 -0.0079 50 GLU B OE1 2529 O OE2 . GLU B 50 ? 0.7928 1.0841 0.6408 0.0609 -0.0587 0.0123 50 GLU B OE2 2530 N N . MET B 51 ? 0.5102 0.5387 0.4617 0.0241 -0.0237 0.0861 51 MET B N 2531 C CA . MET B 51 ? 0.4875 0.4898 0.4591 0.0238 -0.0158 0.0755 51 MET B CA 2532 C C . MET B 51 ? 0.4550 0.4915 0.4237 0.0244 -0.0065 0.0544 51 MET B C 2533 O O . MET B 51 ? 0.4717 0.5537 0.4248 0.0158 0.0000 0.0594 51 MET B O 2534 C CB . MET B 51 ? 0.5053 0.4831 0.4870 0.0096 -0.0154 0.1006 51 MET B CB 2535 C CG . MET B 51 ? 0.5633 0.5050 0.5698 0.0149 -0.0148 0.0880 51 MET B CG 2536 S SD . MET B 51 ? 0.6403 0.5523 0.6658 0.0266 -0.0287 0.0881 51 MET B SD 2537 C CE . MET B 51 ? 0.7282 0.6104 0.7759 0.0158 -0.0435 0.1132 51 MET B CE 2538 N N . SER B 52 ? 0.4177 0.4389 0.4040 0.0332 -0.0079 0.0324 52 SER B N 2539 C CA . SER B 52 ? 0.4032 0.4511 0.3967 0.0356 -0.0041 0.0109 52 SER B CA 2540 C C . SER B 52 ? 0.3941 0.4412 0.3883 0.0207 0.0080 0.0259 52 SER B C 2541 O O . SER B 52 ? 0.3877 0.4047 0.3831 0.0116 0.0091 0.0474 52 SER B O 2542 C CB . SER B 52 ? 0.3808 0.4057 0.3985 0.0457 -0.0163 -0.0082 52 SER B CB 2543 O OG . SER B 52 ? 0.3707 0.3629 0.3955 0.0378 -0.0128 0.0052 52 SER B OG 2544 N N . ASP B 53 ? 0.3823 0.4638 0.3821 0.0193 0.0141 0.0109 53 ASP B N 2545 C CA . ASP B 53 ? 0.3838 0.4613 0.3918 0.0052 0.0230 0.0220 53 ASP B CA 2546 C C . ASP B 53 ? 0.3695 0.3995 0.3921 0.0078 0.0180 0.0198 53 ASP B C 2547 O O . ASP B 53 ? 0.3733 0.3892 0.4035 0.0189 0.0087 0.0058 53 ASP B O 2548 C CB . ASP B 53 ? 0.3927 0.5232 0.4097 0.0064 0.0290 0.0000 53 ASP B CB 2549 C CG . ASP B 53 ? 0.4156 0.6178 0.4161 0.0011 0.0376 -0.0003 53 ASP B CG 2550 O OD1 . ASP B 53 ? 0.4342 0.6445 0.4170 -0.0182 0.0430 0.0352 53 ASP B OD1 2551 O OD2 . ASP B 53 ? 0.4137 0.6673 0.4218 0.0162 0.0360 -0.0368 53 ASP B OD2 2552 N N . MET B 54 ? 0.3728 0.3826 0.4019 -0.0037 0.0214 0.0334 54 MET B N 2553 C CA . MET B 54 ? 0.3526 0.3362 0.3926 -0.0002 0.0174 0.0241 54 MET B CA 2554 C C . MET B 54 ? 0.3302 0.3316 0.3796 0.0026 0.0158 0.0073 54 MET B C 2555 O O . MET B 54 ? 0.3204 0.3528 0.3752 -0.0013 0.0210 0.0020 54 MET B O 2556 C CB . MET B 54 ? 0.3613 0.3230 0.4131 -0.0093 0.0172 0.0315 54 MET B CB 2557 C CG . MET B 54 ? 0.3455 0.2921 0.4019 -0.0022 0.0130 0.0179 54 MET B CG 2558 S SD . MET B 54 ? 0.4930 0.4177 0.5716 -0.0059 0.0072 0.0142 54 MET B SD 2559 C CE . MET B 54 ? 0.4627 0.3677 0.5448 -0.0012 0.0004 0.0277 54 MET B CE 2560 N N . SER B 55 ? 0.3133 0.2999 0.3671 0.0078 0.0070 0.0010 55 SER B N 2561 C CA . SER B 55 ? 0.3093 0.3056 0.3761 0.0109 -0.0017 -0.0111 55 SER B CA 2562 C C . SER B 55 ? 0.3028 0.2849 0.3678 0.0065 -0.0076 -0.0061 55 SER B C 2563 O O . SER B 55 ? 0.3007 0.2742 0.3566 0.0030 -0.0017 -0.0004 55 SER B O 2564 C CB . SER B 55 ? 0.3083 0.3091 0.3850 0.0230 -0.0165 -0.0214 55 SER B CB 2565 O OG . SER B 55 ? 0.3467 0.3570 0.4464 0.0290 -0.0311 -0.0367 55 SER B OG 2566 N N . PHE B 56 ? 0.2970 0.2833 0.3727 0.0073 -0.0212 -0.0102 56 PHE B N 2567 C CA . PHE B 56 ? 0.2994 0.2853 0.3685 0.0004 -0.0288 -0.0019 56 PHE B CA 2568 C C . PHE B 56 ? 0.3174 0.3020 0.4004 0.0006 -0.0541 0.0054 56 PHE B C 2569 O O . PHE B 56 ? 0.3041 0.2871 0.4109 0.0098 -0.0670 -0.0065 56 PHE B O 2570 C CB . PHE B 56 ? 0.2945 0.2886 0.3616 -0.0048 -0.0202 -0.0111 56 PHE B CB 2571 C CG . PHE B 56 ? 0.2876 0.2905 0.3729 -0.0044 -0.0234 -0.0228 56 PHE B CG 2572 C CD1 . PHE B 56 ? 0.2600 0.2697 0.3553 -0.0038 -0.0418 -0.0238 56 PHE B CD1 2573 C CD2 . PHE B 56 ? 0.2565 0.2655 0.3520 -0.0073 -0.0100 -0.0294 56 PHE B CD2 2574 C CE1 . PHE B 56 ? 0.2587 0.2816 0.3764 -0.0018 -0.0456 -0.0384 56 PHE B CE1 2575 C CE2 . PHE B 56 ? 0.2425 0.2711 0.3584 -0.0093 -0.0110 -0.0404 56 PHE B CE2 2576 C CZ . PHE B 56 ? 0.2419 0.2779 0.3702 -0.0046 -0.0280 -0.0486 56 PHE B CZ 2577 N N . SER B 57 ? 0.3331 0.3245 0.4048 -0.0101 -0.0637 0.0247 57 SER B N 2578 C CA . SER B 57 ? 0.3597 0.3474 0.4455 -0.0168 -0.0944 0.0456 57 SER B CA 2579 C C . SER B 57 ? 0.3709 0.3687 0.4608 -0.0206 -0.1081 0.0458 57 SER B C 2580 O O . SER B 57 ? 0.3584 0.3694 0.4389 -0.0188 -0.0920 0.0279 57 SER B O 2581 C CB . SER B 57 ? 0.3693 0.3742 0.4377 -0.0338 -0.0979 0.0757 57 SER B CB 2582 O OG . SER B 57 ? 0.4451 0.4428 0.5123 -0.0306 -0.0867 0.0758 57 SER B OG 2583 N N . LYS B 58 ? 0.4028 0.3934 0.5104 -0.0279 -0.1424 0.0698 58 LYS B N 2584 C CA . LYS B 58 ? 0.4345 0.4350 0.5466 -0.0345 -0.1644 0.0795 58 LYS B CA 2585 C C . LYS B 58 ? 0.4152 0.4562 0.4877 -0.0481 -0.1481 0.0854 58 LYS B C 2586 O O . LYS B 58 ? 0.4300 0.4823 0.5029 -0.0476 -0.1552 0.0770 58 LYS B O 2587 C CB . LYS B 58 ? 0.4819 0.4633 0.6242 -0.0439 -0.2120 0.1145 58 LYS B CB 2588 C CG . LYS B 58 ? 0.5516 0.5047 0.7469 -0.0238 -0.2425 0.0909 58 LYS B CG 2589 C CD . LYS B 58 ? 0.6556 0.5962 0.8813 -0.0338 -0.2961 0.1230 58 LYS B CD 2590 C CE . LYS B 58 ? 0.7231 0.6283 0.9897 -0.0418 -0.3418 0.1558 58 LYS B CE 2591 N NZ . LYS B 58 ? 0.7854 0.6697 1.0948 -0.0505 -0.4038 0.1886 58 LYS B NZ 2592 N N . ASP B 59 ? 0.4033 0.4717 0.4458 -0.0582 -0.1280 0.0941 59 ASP B N 2593 C CA . ASP B 59 ? 0.4111 0.5292 0.4203 -0.0655 -0.1111 0.0848 59 ASP B CA 2594 C C . ASP B 59 ? 0.3736 0.4881 0.3813 -0.0497 -0.0816 0.0410 59 ASP B C 2595 O O . ASP B 59 ? 0.3682 0.5205 0.3574 -0.0506 -0.0682 0.0225 59 ASP B O 2596 C CB . ASP B 59 ? 0.4401 0.6098 0.4218 -0.0850 -0.1069 0.1119 59 ASP B CB 2597 C CG . ASP B 59 ? 0.4562 0.6212 0.4384 -0.0786 -0.0833 0.1014 59 ASP B CG 2598 O OD1 . ASP B 59 ? 0.4725 0.5930 0.4717 -0.0601 -0.0711 0.0764 59 ASP B OD1 2599 O OD2 . ASP B 59 ? 0.5061 0.7196 0.4718 -0.0937 -0.0778 0.1202 59 ASP B OD2 2600 N N . TRP B 60 ? 0.3508 0.4240 0.3818 -0.0361 -0.0745 0.0249 60 TRP B N 2601 C CA . TRP B 60 ? 0.3257 0.3894 0.3638 -0.0265 -0.0541 -0.0058 60 TRP B CA 2602 C C . TRP B 60 ? 0.3281 0.3908 0.3591 -0.0225 -0.0347 -0.0149 60 TRP B C 2603 O O . TRP B 60 ? 0.3260 0.3740 0.3694 -0.0166 -0.0236 -0.0346 60 TRP B O 2604 C CB . TRP B 60 ? 0.3267 0.4118 0.3637 -0.0278 -0.0561 -0.0258 60 TRP B CB 2605 C CG . TRP B 60 ? 0.3172 0.4012 0.3677 -0.0293 -0.0759 -0.0217 60 TRP B CG 2606 C CD1 . TRP B 60 ? 0.3362 0.4449 0.3750 -0.0378 -0.0974 -0.0056 60 TRP B CD1 2607 C CD2 . TRP B 60 ? 0.3069 0.3710 0.3883 -0.0226 -0.0779 -0.0335 60 TRP B CD2 2608 N NE1 . TRP B 60 ? 0.3211 0.4180 0.3847 -0.0342 -0.1157 -0.0083 60 TRP B NE1 2609 C CE2 . TRP B 60 ? 0.2990 0.3726 0.3905 -0.0240 -0.1027 -0.0282 60 TRP B CE2 2610 C CE3 . TRP B 60 ? 0.2325 0.2808 0.3342 -0.0174 -0.0618 -0.0463 60 TRP B CE3 2611 C CZ2 . TRP B 60 ? 0.2875 0.3563 0.4136 -0.0170 -0.1109 -0.0425 60 TRP B CZ2 2612 C CZ3 . TRP B 60 ? 0.2496 0.3022 0.3809 -0.0139 -0.0668 -0.0573 60 TRP B CZ3 2613 C CH2 . TRP B 60 ? 0.2813 0.3444 0.4270 -0.0120 -0.0908 -0.0589 60 TRP B CH2 2614 N N . SER B 61 ? 0.3316 0.4093 0.3489 -0.0273 -0.0340 0.0018 61 SER B N 2615 C CA . SER B 61 ? 0.3396 0.4193 0.3552 -0.0216 -0.0184 -0.0077 61 SER B CA 2616 C C . SER B 61 ? 0.3188 0.3586 0.3463 -0.0152 -0.0151 -0.0002 61 SER B C 2617 O O . SER B 61 ? 0.3074 0.3303 0.3415 -0.0162 -0.0261 0.0150 61 SER B O 2618 C CB . SER B 61 ? 0.3679 0.4952 0.3662 -0.0309 -0.0172 0.0051 61 SER B CB 2619 O OG . SER B 61 ? 0.3840 0.5020 0.3829 -0.0414 -0.0296 0.0402 61 SER B OG 2620 N N . PHE B 62 ? 0.3109 0.3390 0.3447 -0.0076 -0.0037 -0.0134 62 PHE B N 2621 C CA . PHE B 62 ? 0.3050 0.3024 0.3466 -0.0023 0.0000 -0.0075 62 PHE B CA 2622 C C . PHE B 62 ? 0.3207 0.3188 0.3576 -0.0012 -0.0009 0.0057 62 PHE B C 2623 O O . PHE B 62 ? 0.3262 0.3512 0.3575 -0.0044 0.0002 0.0075 62 PHE B O 2624 C CB . PHE B 62 ? 0.2978 0.2796 0.3528 0.0018 0.0055 -0.0211 62 PHE B CB 2625 C CG . PHE B 62 ? 0.3106 0.2864 0.3784 -0.0023 0.0036 -0.0301 62 PHE B CG 2626 C CD1 . PHE B 62 ? 0.3293 0.3187 0.4052 -0.0017 -0.0003 -0.0515 62 PHE B CD1 2627 C CD2 . PHE B 62 ? 0.2842 0.2507 0.3581 -0.0074 0.0054 -0.0201 62 PHE B CD2 2628 C CE1 . PHE B 62 ? 0.3334 0.3163 0.4267 -0.0069 -0.0049 -0.0602 62 PHE B CE1 2629 C CE2 . PHE B 62 ? 0.3123 0.2802 0.4026 -0.0146 0.0038 -0.0262 62 PHE B CE2 2630 C CZ . PHE B 62 ? 0.2873 0.2583 0.3889 -0.0148 -0.0025 -0.0451 62 PHE B CZ 2631 N N . TYR B 63 ? 0.3233 0.3012 0.3638 0.0027 -0.0031 0.0129 63 TYR B N 2632 C CA . TYR B 63 ? 0.3148 0.2893 0.3554 0.0053 -0.0059 0.0220 63 TYR B CA 2633 C C . TYR B 63 ? 0.3241 0.2825 0.3656 0.0125 -0.0033 0.0202 63 TYR B C 2634 O O . TYR B 63 ? 0.3237 0.2809 0.3659 0.0129 -0.0007 0.0156 63 TYR B O 2635 C CB . TYR B 63 ? 0.3309 0.3084 0.3775 -0.0002 -0.0224 0.0362 63 TYR B CB 2636 C CG . TYR B 63 ? 0.3375 0.3015 0.3971 0.0047 -0.0361 0.0312 63 TYR B CG 2637 C CD1 . TYR B 63 ? 0.3682 0.3235 0.4363 0.0152 -0.0406 0.0215 63 TYR B CD1 2638 C CD2 . TYR B 63 ? 0.3468 0.3141 0.4129 0.0008 -0.0465 0.0317 63 TYR B CD2 2639 C CE1 . TYR B 63 ? 0.3875 0.3432 0.4741 0.0240 -0.0545 0.0060 63 TYR B CE1 2640 C CE2 . TYR B 63 ? 0.4073 0.3671 0.4940 0.0087 -0.0621 0.0208 63 TYR B CE2 2641 C CZ . TYR B 63 ? 0.4262 0.3827 0.5252 0.0215 -0.0657 0.0048 63 TYR B CZ 2642 O OH . TYR B 63 ? 0.4921 0.4533 0.6178 0.0332 -0.0820 -0.0164 63 TYR B OH 2643 N N . ILE B 64 ? 0.3222 0.2767 0.3632 0.0166 -0.0038 0.0246 64 ILE B N 2644 C CA . ILE B 64 ? 0.3206 0.2679 0.3577 0.0220 -0.0032 0.0260 64 ILE B CA 2645 C C . ILE B 64 ? 0.3195 0.2663 0.3595 0.0268 -0.0111 0.0297 64 ILE B C 2646 O O . ILE B 64 ? 0.3110 0.2637 0.3580 0.0245 -0.0122 0.0331 64 ILE B O 2647 C CB . ILE B 64 ? 0.3502 0.2879 0.3874 0.0203 0.0028 0.0297 64 ILE B CB 2648 C CG1 . ILE B 64 ? 0.3651 0.3044 0.3933 0.0199 0.0018 0.0406 64 ILE B CG1 2649 C CG2 . ILE B 64 ? 0.3340 0.2666 0.3820 0.0246 0.0014 0.0260 64 ILE B CG2 2650 C CD1 . ILE B 64 ? 0.3867 0.3186 0.4190 0.0102 0.0028 0.0539 64 ILE B CD1 2651 N N . LEU B 65 ? 0.3059 0.2549 0.3422 0.0328 -0.0168 0.0269 65 LEU B N 2652 C CA . LEU B 65 ? 0.3108 0.2590 0.3536 0.0379 -0.0277 0.0271 65 LEU B CA 2653 C C . LEU B 65 ? 0.3332 0.2833 0.3635 0.0426 -0.0257 0.0311 65 LEU B C 2654 O O . LEU B 65 ? 0.3574 0.3212 0.3732 0.0430 -0.0225 0.0302 65 LEU B O 2655 C CB . LEU B 65 ? 0.3064 0.2582 0.3629 0.0434 -0.0448 0.0145 65 LEU B CB 2656 C CG . LEU B 65 ? 0.3295 0.2794 0.3992 0.0490 -0.0611 0.0112 65 LEU B CG 2657 C CD1 . LEU B 65 ? 0.3135 0.2567 0.4014 0.0380 -0.0671 0.0288 65 LEU B CD1 2658 C CD2 . LEU B 65 ? 0.3562 0.3110 0.4454 0.0597 -0.0825 -0.0122 65 LEU B CD2 2659 N N . ALA B 66 ? 0.3388 0.2823 0.3758 0.0446 -0.0284 0.0373 66 ALA B N 2660 C CA . ALA B 66 ? 0.3535 0.2966 0.3823 0.0494 -0.0334 0.0443 66 ALA B CA 2661 C C . ALA B 66 ? 0.3523 0.3019 0.3892 0.0559 -0.0462 0.0370 66 ALA B C 2662 O O . ALA B 66 ? 0.3358 0.2847 0.3925 0.0534 -0.0506 0.0339 66 ALA B O 2663 C CB . ALA B 66 ? 0.3564 0.2853 0.3979 0.0506 -0.0334 0.0517 66 ALA B CB 2664 N N . HIS B 67 ? 0.3676 0.3285 0.3908 0.0616 -0.0542 0.0365 67 HIS B N 2665 C CA . HIS B 67 ? 0.3737 0.3412 0.4073 0.0692 -0.0700 0.0262 67 HIS B CA 2666 C C . HIS B 67 ? 0.4001 0.3790 0.4155 0.0740 -0.0774 0.0339 67 HIS B C 2667 O O . HIS B 67 ? 0.4093 0.4012 0.3993 0.0694 -0.0719 0.0463 67 HIS B O 2668 C CB . HIS B 67 ? 0.3774 0.3576 0.4183 0.0746 -0.0804 0.0028 67 HIS B CB 2669 C CG . HIS B 67 ? 0.3952 0.4093 0.4109 0.0801 -0.0778 -0.0106 67 HIS B CG 2670 N ND1 . HIS B 67 ? 0.3982 0.4252 0.4013 0.0747 -0.0632 -0.0102 67 HIS B ND1 2671 C CD2 . HIS B 67 ? 0.4144 0.4642 0.4151 0.0894 -0.0875 -0.0267 67 HIS B CD2 2672 C CE1 . HIS B 67 ? 0.4105 0.4850 0.3932 0.0793 -0.0622 -0.0246 67 HIS B CE1 2673 N NE2 . HIS B 67 ? 0.4306 0.5222 0.4093 0.0887 -0.0767 -0.0358 67 HIS B NE2 2674 N N . THR B 68 ? 0.4026 0.3807 0.4327 0.0805 -0.0919 0.0301 68 THR B N 2675 C CA . THR B 68 ? 0.4355 0.4268 0.4498 0.0860 -0.1044 0.0371 68 THR B CA 2676 C C . THR B 68 ? 0.4472 0.4493 0.4776 0.0956 -0.1239 0.0180 68 THR B C 2677 O O . THR B 68 ? 0.4232 0.4131 0.4881 0.0949 -0.1292 0.0087 68 THR B O 2678 C CB . THR B 68 ? 0.4394 0.4093 0.4618 0.0843 -0.1062 0.0609 68 THR B CB 2679 O OG1 . THR B 68 ? 0.5116 0.4935 0.5134 0.0858 -0.1212 0.0772 68 THR B OG1 2680 C CG2 . THR B 68 ? 0.4052 0.3636 0.4661 0.0892 -0.1101 0.0534 68 THR B CG2 2681 N N . GLU B 69 ? 0.4815 0.5114 0.4880 0.1021 -0.1366 0.0141 69 GLU B N 2682 C CA . GLU B 69 ? 0.5085 0.5492 0.5309 0.1124 -0.1591 -0.0039 69 GLU B CA 2683 C C . GLU B 69 ? 0.4982 0.5152 0.5496 0.1120 -0.1653 0.0112 69 GLU B C 2684 O O . GLU B 69 ? 0.5114 0.5143 0.5582 0.1087 -0.1594 0.0352 69 GLU B O 2685 C CB . GLU B 69 ? 0.5542 0.6381 0.5384 0.1184 -0.1710 -0.0067 69 GLU B CB 2686 C CG . GLU B 69 ? 0.6203 0.7520 0.5847 0.1252 -0.1714 -0.0400 69 GLU B CG 2687 C CD . GLU B 69 ? 0.7289 0.9240 0.6496 0.1294 -0.1817 -0.0436 69 GLU B CD 2688 O OE1 . GLU B 69 ? 0.7629 0.9581 0.6768 0.1306 -0.1977 -0.0268 69 GLU B OE1 2689 O OE2 . GLU B 69 ? 0.7718 1.0249 0.6654 0.1314 -0.1744 -0.0644 69 GLU B OE2 2690 N N . PHE B 70 ? 0.4805 0.4956 0.5685 0.1153 -0.1802 -0.0045 70 PHE B N 2691 C CA . PHE B 70 ? 0.4704 0.4784 0.5908 0.1157 -0.1871 0.0044 70 PHE B CA 2692 C C . PHE B 70 ? 0.4838 0.5010 0.6392 0.1188 -0.2100 -0.0144 70 PHE B C 2693 O O . PHE B 70 ? 0.4844 0.5032 0.6515 0.1186 -0.2208 -0.0342 70 PHE B O 2694 C CB . PHE B 70 ? 0.4355 0.4313 0.5818 0.1061 -0.1677 0.0157 70 PHE B CB 2695 C CG . PHE B 70 ? 0.4005 0.3997 0.5832 0.0940 -0.1669 0.0102 70 PHE B CG 2696 C CD1 . PHE B 70 ? 0.3481 0.3401 0.5295 0.0893 -0.1718 0.0010 70 PHE B CD1 2697 C CD2 . PHE B 70 ? 0.3714 0.3866 0.5938 0.0858 -0.1633 0.0163 70 PHE B CD2 2698 C CE1 . PHE B 70 ? 0.3697 0.3600 0.5896 0.0739 -0.1778 0.0056 70 PHE B CE1 2699 C CE2 . PHE B 70 ? 0.3630 0.3895 0.6186 0.0674 -0.1641 0.0224 70 PHE B CE2 2700 C CZ . PHE B 70 ? 0.3665 0.3751 0.6210 0.0600 -0.1735 0.0210 70 PHE B CZ 2701 N N . THR B 71 ? 0.5017 0.5241 0.6812 0.1224 -0.2210 -0.0096 71 THR B N 2702 C CA . THR B 71 ? 0.5158 0.5481 0.7379 0.1224 -0.2432 -0.0236 71 THR B CA 2703 C C . THR B 71 ? 0.4978 0.5372 0.7653 0.1122 -0.2335 -0.0113 71 THR B C 2704 O O . THR B 71 ? 0.5153 0.5608 0.7865 0.1193 -0.2292 -0.0040 71 THR B O 2705 C CB . THR B 71 ? 0.5464 0.5935 0.7544 0.1372 -0.2676 -0.0325 71 THR B CB 2706 O OG1 . THR B 71 ? 0.5818 0.6411 0.7416 0.1448 -0.2719 -0.0451 71 THR B OG1 2707 C CG2 . THR B 71 ? 0.5499 0.6072 0.8076 0.1375 -0.2944 -0.0506 71 THR B CG2 2708 N N . PRO B 72 ? 0.4832 0.5277 0.7890 0.0946 -0.2322 -0.0088 72 PRO B N 2709 C CA . PRO B 72 ? 0.4654 0.5388 0.8159 0.0813 -0.2227 0.0023 72 PRO B CA 2710 C C . PRO B 72 ? 0.4769 0.5717 0.8652 0.0872 -0.2438 -0.0058 72 PRO B C 2711 O O . PRO B 72 ? 0.4963 0.5817 0.8913 0.0930 -0.2713 -0.0186 72 PRO B O 2712 C CB . PRO B 72 ? 0.4591 0.5357 0.8402 0.0558 -0.2251 0.0144 72 PRO B CB 2713 C CG . PRO B 72 ? 0.4664 0.5064 0.8190 0.0609 -0.2346 0.0051 72 PRO B CG 2714 C CD . PRO B 72 ? 0.4806 0.5106 0.7978 0.0857 -0.2458 -0.0163 72 PRO B CD 2715 N N . THR B 73 ? 0.4684 0.5967 0.8848 0.0878 -0.2328 -0.0037 73 THR B N 2716 C CA . THR B 73 ? 0.4767 0.6350 0.9401 0.0909 -0.2511 -0.0116 73 THR B CA 2717 C C . THR B 73 ? 0.4649 0.6822 0.9771 0.0724 -0.2320 -0.0051 73 THR B C 2718 O O . THR B 73 ? 0.4526 0.6853 0.9538 0.0606 -0.2059 0.0039 73 THR B O 2719 C CB . THR B 73 ? 0.4882 0.6390 0.9391 0.1184 -0.2628 -0.0221 73 THR B CB 2720 O OG1 . THR B 73 ? 0.5016 0.6604 0.9497 0.1269 -0.2422 -0.0225 73 THR B OG1 2721 C CG2 . THR B 73 ? 0.5076 0.6173 0.9021 0.1325 -0.2791 -0.0228 73 THR B CG2 2722 N N . GLU B 74 ? 0.4712 0.7309 1.0372 0.0687 -0.2446 -0.0106 74 GLU B N 2723 C CA . GLU B 74 ? 0.4711 0.8085 1.0873 0.0502 -0.2257 -0.0069 74 GLU B CA 2724 C C . GLU B 74 ? 0.4668 0.8367 1.0783 0.0697 -0.2009 -0.0257 74 GLU B C 2725 O O . GLU B 74 ? 0.4622 0.9003 1.0945 0.0542 -0.1752 -0.0253 74 GLU B O 2726 C CB . GLU B 74 ? 0.4833 0.8631 1.1624 0.0450 -0.2473 -0.0127 74 GLU B CB 2727 C CG . GLU B 74 ? 0.4971 0.9543 1.2326 0.0050 -0.2377 0.0082 74 GLU B CG 2728 C CD . GLU B 74 ? 0.5547 1.0599 1.3585 -0.0014 -0.2591 0.0023 74 GLU B CD 2729 O OE1 . GLU B 74 ? 0.5825 1.0517 1.3889 0.0251 -0.2862 -0.0183 74 GLU B OE1 2730 O OE2 . GLU B 74 ? 0.5633 1.1498 1.4195 -0.0359 -0.2493 0.0207 74 GLU B OE2 2731 N N . THR B 75 ? 0.4780 0.8027 1.0647 0.1024 -0.2116 -0.0418 75 THR B N 2732 C CA . THR B 75 ? 0.4793 0.8288 1.0828 0.1265 -0.2024 -0.0664 75 THR B CA 2733 C C . THR B 75 ? 0.4798 0.7807 1.0367 0.1399 -0.1919 -0.0673 75 THR B C 2734 O O . THR B 75 ? 0.4868 0.8138 1.0666 0.1570 -0.1836 -0.0918 75 THR B O 2735 C CB . THR B 75 ? 0.5009 0.8432 1.1368 0.1552 -0.2329 -0.0846 75 THR B CB 2736 O OG1 . THR B 75 ? 0.5283 0.8069 1.1272 0.1590 -0.2601 -0.0681 75 THR B OG1 2737 C CG2 . THR B 75 ? 0.5009 0.9263 1.2086 0.1498 -0.2350 -0.1008 75 THR B CG2 2738 N N . ASP B 76 ? 0.4669 0.7023 0.9662 0.1341 -0.1953 -0.0456 76 ASP B N 2739 C CA . ASP B 76 ? 0.4564 0.6450 0.9132 0.1439 -0.1883 -0.0422 76 ASP B CA 2740 C C . ASP B 76 ? 0.4226 0.6338 0.8658 0.1264 -0.1572 -0.0400 76 ASP B C 2741 O O . ASP B 76 ? 0.3994 0.6246 0.8346 0.1019 -0.1474 -0.0243 76 ASP B O 2742 C CB . ASP B 76 ? 0.4754 0.5997 0.8765 0.1450 -0.2038 -0.0219 76 ASP B CB 2743 C CG . ASP B 76 ? 0.5258 0.6281 0.9291 0.1637 -0.2366 -0.0201 76 ASP B CG 2744 O OD1 . ASP B 76 ? 0.5491 0.6514 0.9837 0.1826 -0.2507 -0.0294 76 ASP B OD1 2745 O OD2 . ASP B 76 ? 0.5569 0.6437 0.9326 0.1603 -0.2520 -0.0110 76 ASP B OD2 2746 N N . THR B 77 ? 0.4123 0.6267 0.8575 0.1388 -0.1464 -0.0559 77 THR B N 2747 C CA . THR B 77 ? 0.3924 0.6283 0.8186 0.1237 -0.1186 -0.0551 77 THR B CA 2748 C C . THR B 77 ? 0.3873 0.5542 0.7611 0.1246 -0.1179 -0.0399 77 THR B C 2749 O O . THR B 77 ? 0.4128 0.5291 0.7755 0.1409 -0.1358 -0.0374 77 THR B O 2750 C CB . THR B 77 ? 0.3898 0.6952 0.8567 0.1348 -0.1039 -0.0908 77 THR B CB 2751 O OG1 . THR B 77 ? 0.4329 0.6992 0.9142 0.1645 -0.1212 -0.1130 77 THR B OG1 2752 C CG2 . THR B 77 ? 0.3717 0.7629 0.8952 0.1336 -0.1027 -0.1088 77 THR B CG2 2753 N N . TYR B 78 ? 0.3620 0.5313 0.7065 0.1046 -0.0993 -0.0264 78 TYR B N 2754 C CA . TYR B 78 ? 0.3569 0.4722 0.6556 0.1030 -0.0958 -0.0138 78 TYR B CA 2755 C C . TYR B 78 ? 0.3443 0.4873 0.6387 0.0957 -0.0738 -0.0225 78 TYR B C 2756 O O . TYR B 78 ? 0.3422 0.5441 0.6502 0.0795 -0.0591 -0.0228 78 TYR B O 2757 C CB . TYR B 78 ? 0.3427 0.4286 0.6103 0.0884 -0.1012 0.0081 78 TYR B CB 2758 C CG . TYR B 78 ? 0.3629 0.4243 0.6277 0.0984 -0.1245 0.0115 78 TYR B CG 2759 C CD1 . TYR B 78 ? 0.3587 0.4454 0.6554 0.0951 -0.1371 0.0092 78 TYR B CD1 2760 C CD2 . TYR B 78 ? 0.3557 0.3769 0.5880 0.1094 -0.1355 0.0182 78 TYR B CD2 2761 C CE1 . TYR B 78 ? 0.3762 0.4456 0.6706 0.1056 -0.1607 0.0087 78 TYR B CE1 2762 C CE2 . TYR B 78 ? 0.3854 0.3962 0.6108 0.1177 -0.1580 0.0220 78 TYR B CE2 2763 C CZ . TYR B 78 ? 0.4032 0.4369 0.6594 0.1176 -0.1709 0.0144 78 TYR B CZ 2764 O OH . TYR B 78 ? 0.4215 0.4498 0.6716 0.1268 -0.1952 0.0146 78 TYR B OH 2765 N N . ALA B 79 ? 0.3453 0.4518 0.6223 0.1053 -0.0731 -0.0274 79 ALA B N 2766 C CA . ALA B 79 ? 0.3384 0.4708 0.6129 0.1020 -0.0552 -0.0417 79 ALA B CA 2767 C C . ALA B 79 ? 0.3564 0.4331 0.5964 0.1007 -0.0551 -0.0302 79 ALA B C 2768 O O . ALA B 79 ? 0.3678 0.3926 0.5909 0.1048 -0.0696 -0.0138 79 ALA B O 2769 C CB . ALA B 79 ? 0.3336 0.5079 0.6535 0.1223 -0.0567 -0.0810 79 ALA B CB 2770 N N . CYS B 80 ? 0.3509 0.4475 0.5802 0.0930 -0.0391 -0.0377 80 CYS B N 2771 C CA . CYS B 80 ? 0.3708 0.4239 0.5752 0.0916 -0.0381 -0.0316 80 CYS B CA 2772 C C . CYS B 80 ? 0.3676 0.4439 0.5961 0.1029 -0.0349 -0.0644 80 CYS B C 2773 O O . CYS B 80 ? 0.3585 0.4979 0.5928 0.0982 -0.0197 -0.0822 80 CYS B O 2774 C CB . CYS B 80 ? 0.3567 0.4108 0.5269 0.0714 -0.0258 -0.0113 80 CYS B CB 2775 S SG . CYS B 80 ? 0.4361 0.4428 0.5763 0.0676 -0.0240 -0.0021 80 CYS B SG 2776 N N . ARG B 81 ? 0.3796 0.4099 0.6250 0.1164 -0.0521 -0.0719 81 ARG B N 2777 C CA . ARG B 81 ? 0.3914 0.4326 0.6725 0.1318 -0.0587 -0.1101 81 ARG B CA 2778 C C . ARG B 81 ? 0.3960 0.4020 0.6570 0.1226 -0.0568 -0.1017 81 ARG B C 2779 O O . ARG B 81 ? 0.3996 0.3512 0.6391 0.1123 -0.0644 -0.0675 81 ARG B O 2780 C CB . ARG B 81 ? 0.4203 0.4291 0.7529 0.1542 -0.0901 -0.1257 81 ARG B CB 2781 C CG . ARG B 81 ? 0.4551 0.4913 0.8449 0.1779 -0.1026 -0.1821 81 ARG B CG 2782 C CD . ARG B 81 ? 0.5412 0.5495 0.9954 0.2033 -0.1401 -0.2013 81 ARG B CD 2783 N NE . ARG B 81 ? 0.6105 0.6831 1.1280 0.2322 -0.1473 -0.2706 81 ARG B NE 2784 C CZ . ARG B 81 ? 0.6591 0.7847 1.2156 0.2503 -0.1513 -0.2999 81 ARG B CZ 2785 N NH1 . ARG B 81 ? 0.6163 0.7321 1.1552 0.2418 -0.1506 -0.2634 81 ARG B NH1 2786 N NH2 . ARG B 81 ? 0.6616 0.8577 1.2793 0.2787 -0.1574 -0.3717 81 ARG B NH2 2787 N N . VAL B 82 ? 0.3958 0.4428 0.6644 0.1255 -0.0467 -0.1342 82 VAL B N 2788 C CA . VAL B 82 ? 0.4035 0.4281 0.6551 0.1163 -0.0435 -0.1313 82 VAL B CA 2789 C C . VAL B 82 ? 0.4409 0.4726 0.7386 0.1347 -0.0588 -0.1791 82 VAL B C 2790 O O . VAL B 82 ? 0.4565 0.5543 0.7817 0.1509 -0.0558 -0.2268 82 VAL B O 2791 C CB . VAL B 82 ? 0.3878 0.4524 0.5924 0.0962 -0.0177 -0.1167 82 VAL B CB 2792 C CG1 . VAL B 82 ? 0.3740 0.4223 0.5663 0.0893 -0.0161 -0.1199 82 VAL B CG1 2793 C CG2 . VAL B 82 ? 0.3350 0.3787 0.5045 0.0799 -0.0113 -0.0730 82 VAL B CG2 2794 N N . LYS B 83 ? 0.4700 0.4389 0.7813 0.1321 -0.0778 -0.1686 83 LYS B N 2795 C CA . LYS B 83 ? 0.5048 0.4676 0.8648 0.1470 -0.0984 -0.2123 83 LYS B CA 2796 C C . LYS B 83 ? 0.4953 0.4518 0.8225 0.1289 -0.0856 -0.1998 83 LYS B C 2797 O O . LYS B 83 ? 0.4921 0.4090 0.7840 0.1074 -0.0790 -0.1508 83 LYS B O 2798 C CB . LYS B 83 ? 0.5491 0.4365 0.9653 0.1551 -0.1400 -0.2043 83 LYS B CB 2799 C CG . LYS B 83 ? 0.6069 0.5006 1.0856 0.1836 -0.1669 -0.2410 83 LYS B CG 2800 C CD . LYS B 83 ? 0.6929 0.5011 1.2140 0.1824 -0.2106 -0.2052 83 LYS B CD 2801 C CE . LYS B 83 ? 0.7314 0.5468 1.2852 0.2025 -0.2274 -0.2153 83 LYS B CE 2802 N NZ . LYS B 83 ? 0.7736 0.5278 1.3146 0.1864 -0.2473 -0.1487 83 LYS B NZ 2803 N N . HIS B 84 ? 0.4914 0.4961 0.8313 0.1388 -0.0824 -0.2479 84 HIS B N 2804 C CA . HIS B 84 ? 0.4808 0.4882 0.7961 0.1251 -0.0735 -0.2455 84 HIS B CA 2805 C C . HIS B 84 ? 0.5027 0.5504 0.8623 0.1465 -0.0881 -0.3142 84 HIS B C 2806 O O . HIS B 84 ? 0.5023 0.6122 0.8884 0.1686 -0.0892 -0.3639 84 HIS B O 2807 C CB . HIS B 84 ? 0.4404 0.4995 0.6914 0.1073 -0.0405 -0.2218 84 HIS B CB 2808 C CG . HIS B 84 ? 0.4565 0.5105 0.6798 0.0915 -0.0336 -0.2097 84 HIS B CG 2809 N ND1 . HIS B 84 ? 0.4803 0.5989 0.6880 0.0916 -0.0242 -0.2385 84 HIS B ND1 2810 C CD2 . HIS B 84 ? 0.4623 0.4625 0.6714 0.0749 -0.0351 -0.1725 84 HIS B CD2 2811 C CE1 . HIS B 84 ? 0.4761 0.5720 0.6636 0.0770 -0.0227 -0.2195 84 HIS B CE1 2812 N NE2 . HIS B 84 ? 0.4641 0.4904 0.6542 0.0672 -0.0282 -0.1812 84 HIS B NE2 2813 N N . ALA B 85 ? 0.5127 0.5341 0.8821 0.1404 -0.0990 -0.3210 85 ALA B N 2814 C CA . ALA B 85 ? 0.5477 0.5927 0.9710 0.1623 -0.1223 -0.3904 85 ALA B CA 2815 C C . ALA B 85 ? 0.5419 0.7011 0.9405 0.1735 -0.1006 -0.4421 85 ALA B C 2816 O O . ALA B 85 ? 0.5695 0.7772 1.0161 0.2002 -0.1177 -0.5154 85 ALA B O 2817 C CB . ALA B 85 ? 0.5547 0.5440 0.9921 0.1481 -0.1390 -0.3781 85 ALA B CB 2818 N N . SER B 86 ? 0.5230 0.7292 0.8500 0.1522 -0.0657 -0.4031 86 SER B N 2819 C CA . SER B 86 ? 0.5219 0.8469 0.8148 0.1529 -0.0428 -0.4328 86 SER B CA 2820 C C . SER B 86 ? 0.5309 0.9319 0.8484 0.1727 -0.0380 -0.4727 86 SER B C 2821 O O . SER B 86 ? 0.5472 1.0667 0.8507 0.1772 -0.0226 -0.5116 86 SER B O 2822 C CB . SER B 86 ? 0.4924 0.8337 0.7111 0.1204 -0.0151 -0.3676 86 SER B CB 2823 O OG . SER B 86 ? 0.4628 0.7630 0.6666 0.1091 -0.0064 -0.3155 86 SER B OG 2824 N N . MET B 87 ? 0.5309 0.8734 0.8873 0.1842 -0.0525 -0.4647 87 MET B N 2825 C CA . MET B 87 ? 0.5306 0.9418 0.9176 0.2043 -0.0501 -0.5024 87 MET B CA 2826 C C . MET B 87 ? 0.5644 0.9347 1.0406 0.2402 -0.0899 -0.5602 87 MET B C 2827 O O . MET B 87 ? 0.5769 0.8342 1.0845 0.2400 -0.1191 -0.5353 87 MET B O 2828 C CB . MET B 87 ? 0.5040 0.8960 0.8576 0.1853 -0.0324 -0.4390 87 MET B CB 2829 C CG . MET B 87 ? 0.4774 0.8952 0.7552 0.1497 -0.0023 -0.3785 87 MET B CG 2830 S SD . MET B 87 ? 0.5478 0.9439 0.7993 0.1302 0.0112 -0.3136 87 MET B SD 2831 C CE . MET B 87 ? 0.4858 0.7403 0.7608 0.1366 -0.0143 -0.2817 87 MET B CE 2832 N N . ALA B 88 ? 0.5791 1.0495 1.0997 0.2701 -0.0934 -0.6378 88 ALA B N 2833 C CA . ALA B 88 ? 0.6161 1.0625 1.2349 0.3106 -0.1364 -0.7055 88 ALA B CA 2834 C C . ALA B 88 ? 0.6128 1.0005 1.2561 0.3139 -0.1478 -0.6698 88 ALA B C 2835 O O . ALA B 88 ? 0.6448 0.9460 1.3606 0.3338 -0.1928 -0.6817 88 ALA B O 2836 C CB . ALA B 88 ? 0.6341 1.2260 1.2919 0.3436 -0.1337 -0.8072 88 ALA B CB 2837 N N . GLU B 89 ? 0.5770 1.0132 1.1640 0.2932 -0.1112 -0.6252 89 GLU B N 2838 C CA . GLU B 89 ? 0.5685 0.9606 1.1721 0.2949 -0.1192 -0.5912 89 GLU B CA 2839 C C . GLU B 89 ? 0.5327 0.8700 1.0576 0.2551 -0.0939 -0.4960 89 GLU B C 2840 O O . GLU B 89 ? 0.5047 0.8878 0.9636 0.2287 -0.0605 -0.4670 89 GLU B O 2841 C CB . GLU B 89 ? 0.5700 1.0873 1.2003 0.3139 -0.1046 -0.6422 89 GLU B CB 2842 N N . PRO B 90 ? 0.5362 0.7794 1.0710 0.2516 -0.1133 -0.4488 90 PRO B N 2843 C CA . PRO B 90 ? 0.4996 0.7015 0.9681 0.2196 -0.0925 -0.3699 90 PRO B CA 2844 C C . PRO B 90 ? 0.4689 0.7654 0.8999 0.2063 -0.0571 -0.3616 90 PRO B C 2845 O O . PRO B 90 ? 0.4688 0.8457 0.9375 0.2245 -0.0553 -0.4064 90 PRO B O 2846 C CB . PRO B 90 ? 0.5187 0.6391 1.0217 0.2282 -0.1239 -0.3440 90 PRO B CB 2847 C CG . PRO B 90 ? 0.5692 0.6522 1.1518 0.2566 -0.1672 -0.3911 90 PRO B CG 2848 C CD . PRO B 90 ? 0.5739 0.7604 1.1883 0.2800 -0.1582 -0.4727 90 PRO B CD 2849 N N . LYS B 91 ? 0.4389 0.7295 0.8033 0.1742 -0.0324 -0.3058 91 LYS B N 2850 C CA . LYS B 91 ? 0.4178 0.7825 0.7511 0.1547 -0.0060 -0.2832 91 LYS B CA 2851 C C . LYS B 91 ? 0.3924 0.6983 0.7109 0.1430 -0.0100 -0.2312 91 LYS B C 2852 O O . LYS B 91 ? 0.3746 0.5956 0.6649 0.1318 -0.0169 -0.1885 91 LYS B O 2853 C CB . LYS B 91 ? 0.4130 0.8237 0.6914 0.1263 0.0182 -0.2588 91 LYS B CB 2854 C CG . LYS B 91 ? 0.4499 0.9609 0.7102 0.1038 0.0408 -0.2402 91 LYS B CG 2855 C CD . LYS B 91 ? 0.5266 1.1163 0.7453 0.0780 0.0600 -0.2278 91 LYS B CD 2856 C CE . LYS B 91 ? 0.5455 1.0577 0.7178 0.0533 0.0578 -0.1701 91 LYS B CE 2857 N NZ . LYS B 91 ? 0.5923 1.1597 0.7314 0.0371 0.0670 -0.1685 91 LYS B NZ 2858 N N . THR B 92 ? 0.3805 0.7432 0.7197 0.1457 -0.0053 -0.2385 92 THR B N 2859 C CA . THR B 92 ? 0.3740 0.6967 0.7044 0.1360 -0.0103 -0.1970 92 THR B CA 2860 C C . THR B 92 ? 0.3478 0.7374 0.6507 0.1062 0.0118 -0.1666 92 THR B C 2861 O O . THR B 92 ? 0.3441 0.8382 0.6637 0.1024 0.0265 -0.1893 92 THR B O 2862 C CB . THR B 92 ? 0.3923 0.7198 0.7798 0.1627 -0.0301 -0.2269 92 THR B CB 2863 O OG1 . THR B 92 ? 0.4185 0.6882 0.8433 0.1892 -0.0577 -0.2558 92 THR B OG1 2864 C CG2 . THR B 92 ? 0.3854 0.6637 0.7616 0.1539 -0.0394 -0.1838 92 THR B CG2 2865 N N . VAL B 93 ? 0.3276 0.6618 0.5935 0.0845 0.0111 -0.1160 93 VAL B N 2866 C CA . VAL B 93 ? 0.3203 0.6960 0.5718 0.0552 0.0205 -0.0798 93 VAL B CA 2867 C C . VAL B 93 ? 0.3215 0.6519 0.5851 0.0568 0.0054 -0.0596 93 VAL B C 2868 O O . VAL B 93 ? 0.3243 0.5717 0.5737 0.0654 -0.0086 -0.0472 93 VAL B O 2869 C CB . VAL B 93 ? 0.3104 0.6634 0.5196 0.0296 0.0250 -0.0426 93 VAL B CB 2870 C CG1 . VAL B 93 ? 0.2996 0.6710 0.5056 -0.0007 0.0220 0.0013 93 VAL B CG1 2871 C CG2 . VAL B 93 ? 0.3314 0.7509 0.5284 0.0246 0.0401 -0.0618 93 VAL B CG2 2872 N N . TYR B 94 ? 0.3329 0.7280 0.6231 0.0473 0.0084 -0.0573 94 TYR B N 2873 C CA . TYR B 94 ? 0.3402 0.7070 0.6484 0.0479 -0.0070 -0.0419 94 TYR B CA 2874 C C . TYR B 94 ? 0.3519 0.6930 0.6428 0.0192 -0.0141 0.0034 94 TYR B C 2875 O O . TYR B 94 ? 0.3515 0.7368 0.6352 -0.0089 -0.0059 0.0274 94 TYR B O 2876 C CB . TYR B 94 ? 0.3353 0.7922 0.6902 0.0511 -0.0020 -0.0647 94 TYR B CB 2877 C CG . TYR B 94 ? 0.3404 0.8028 0.7302 0.0883 -0.0088 -0.1152 94 TYR B CG 2878 C CD1 . TYR B 94 ? 0.3471 0.8700 0.7515 0.1027 0.0030 -0.1589 94 TYR B CD1 2879 C CD2 . TYR B 94 ? 0.3330 0.7376 0.7446 0.1103 -0.0324 -0.1206 94 TYR B CD2 2880 C CE1 . TYR B 94 ? 0.3731 0.8933 0.8224 0.1401 -0.0117 -0.2102 94 TYR B CE1 2881 C CE2 . TYR B 94 ? 0.3693 0.7690 0.8208 0.1440 -0.0472 -0.1627 94 TYR B CE2 2882 C CZ . TYR B 94 ? 0.3904 0.8445 0.8654 0.1599 -0.0387 -0.2090 94 TYR B CZ 2883 O OH . TYR B 94 ? 0.4221 0.8670 0.9509 0.1966 -0.0617 -0.2561 94 TYR B OH 2884 N N . TRP B 95 ? 0.3769 0.6509 0.6657 0.0262 -0.0335 0.0145 95 TRP B N 2885 C CA . TRP B 95 ? 0.4043 0.6601 0.6952 0.0035 -0.0478 0.0470 95 TRP B CA 2886 C C . TRP B 95 ? 0.4444 0.7723 0.7761 -0.0178 -0.0487 0.0594 95 TRP B C 2887 O O . TRP B 95 ? 0.4344 0.7913 0.7962 -0.0050 -0.0505 0.0405 95 TRP B O 2888 C CB . TRP B 95 ? 0.3918 0.5735 0.6732 0.0193 -0.0692 0.0461 95 TRP B CB 2889 C CG . TRP B 95 ? 0.3793 0.5391 0.6727 0.0020 -0.0908 0.0680 95 TRP B CG 2890 C CD1 . TRP B 95 ? 0.3693 0.5130 0.6583 -0.0180 -0.0987 0.0900 95 TRP B CD1 2891 C CD2 . TRP B 95 ? 0.3772 0.5252 0.6965 0.0053 -0.1134 0.0665 95 TRP B CD2 2892 N NE1 . TRP B 95 ? 0.3828 0.5034 0.6995 -0.0266 -0.1273 0.1001 95 TRP B NE1 2893 C CE2 . TRP B 95 ? 0.3946 0.5191 0.7285 -0.0128 -0.1356 0.0848 95 TRP B CE2 2894 C CE3 . TRP B 95 ? 0.3871 0.5420 0.7235 0.0225 -0.1211 0.0501 95 TRP B CE3 2895 C CZ2 . TRP B 95 ? 0.4055 0.5136 0.7712 -0.0133 -0.1649 0.0829 95 TRP B CZ2 2896 C CZ3 . TRP B 95 ? 0.3912 0.5337 0.7531 0.0206 -0.1473 0.0514 95 TRP B CZ3 2897 C CH2 . TRP B 95 ? 0.4115 0.5315 0.7882 0.0031 -0.1686 0.0657 95 TRP B CH2 2898 N N . ASP B 96 ? 0.5018 0.8627 0.8378 -0.0525 -0.0491 0.0939 96 ASP B N 2899 C CA . ASP B 96 ? 0.5597 0.9853 0.9369 -0.0822 -0.0549 0.1186 96 ASP B CA 2900 C C . ASP B 96 ? 0.6171 0.9825 1.0149 -0.0982 -0.0888 0.1482 96 ASP B C 2901 O O . ASP B 96 ? 0.6158 0.9364 1.0268 -0.0785 -0.1060 0.1312 96 ASP B O 2902 C CB . ASP B 96 ? 0.5602 1.0858 0.9387 -0.1164 -0.0360 0.1425 96 ASP B CB 2903 C CG . ASP B 96 ? 0.5730 1.1834 0.9987 -0.1514 -0.0400 0.1713 96 ASP B CG 2904 O OD1 . ASP B 96 ? 0.5416 1.1095 1.0001 -0.1563 -0.0660 0.1844 96 ASP B OD1 2905 O OD2 . ASP B 96 ? 0.5692 1.2956 1.0010 -0.1749 -0.0179 0.1796 96 ASP B OD2 2917 N N . THR C 3 ? 0.5097 0.7595 0.6561 0.0398 0.0104 0.1907 1 THR C N 2918 C CA . THR C 3 ? 0.4937 0.6997 0.6063 0.0345 0.0151 0.1600 1 THR C CA 2919 C C . THR C 3 ? 0.4662 0.6791 0.5356 0.0159 0.0036 0.1326 1 THR C C 2920 O O . THR C 3 ? 0.4775 0.7216 0.5269 0.0030 -0.0071 0.1362 1 THR C O 2921 C CB . THR C 3 ? 0.5149 0.7182 0.6308 0.0376 0.0177 0.1767 1 THR C CB 2922 O OG1 . THR C 3 ? 0.5292 0.7013 0.6104 0.0295 0.0191 0.1475 1 THR C OG1 2923 C CG2 . THR C 3 ? 0.5371 0.8003 0.6524 0.0296 0.0023 0.2080 1 THR C CG2 2924 N N . GLN C 4 ? 0.4297 0.6123 0.4863 0.0142 0.0082 0.1048 2 GLN C N 2925 C CA . GLN C 4 ? 0.3971 0.5814 0.4233 -0.0010 0.0014 0.0801 2 GLN C CA 2926 C C . GLN C 4 ? 0.3623 0.5161 0.3626 -0.0056 0.0044 0.0573 2 GLN C C 2927 O O . GLN C 4 ? 0.3509 0.5020 0.3317 -0.0168 0.0022 0.0372 2 GLN C O 2928 C CB . GLN C 4 ? 0.3975 0.5703 0.4297 -0.0001 0.0050 0.0681 2 GLN C CB 2929 C CG . GLN C 4 ? 0.4440 0.6522 0.5032 0.0024 0.0016 0.0887 2 GLN C CG 2930 C CD . GLN C 4 ? 0.4960 0.6926 0.5593 0.0018 0.0062 0.0754 2 GLN C CD 2931 O OE1 . GLN C 4 ? 0.5345 0.7497 0.5878 -0.0116 -0.0004 0.0662 2 GLN C OE1 2932 N NE2 . GLN C 4 ? 0.4916 0.6571 0.5683 0.0141 0.0193 0.0720 2 GLN C NE2 2933 N N . VAL C 5 ? 0.3306 0.4613 0.3350 0.0030 0.0111 0.0606 3 VAL C N 2934 C CA . VAL C 5 ? 0.3210 0.4270 0.3057 -0.0004 0.0139 0.0422 3 VAL C CA 2935 C C . VAL C 5 ? 0.3290 0.4418 0.3140 0.0004 0.0143 0.0553 3 VAL C C 2936 O O . VAL C 5 ? 0.3333 0.4373 0.3381 0.0101 0.0208 0.0708 3 VAL C O 2937 C CB . VAL C 5 ? 0.3144 0.3838 0.3012 0.0062 0.0225 0.0288 3 VAL C CB 2938 C CG1 . VAL C 5 ? 0.2703 0.3215 0.2408 0.0026 0.0237 0.0137 3 VAL C CG1 2939 C CG2 . VAL C 5 ? 0.2553 0.3212 0.2423 0.0050 0.0225 0.0199 3 VAL C CG2 2940 N N . GLU C 6 ? 0.3313 0.4602 0.2965 -0.0106 0.0096 0.0491 4 GLU C N 2941 C CA . GLU C 6 ? 0.3482 0.4875 0.3100 -0.0123 0.0100 0.0611 4 GLU C CA 2942 C C . GLU C 6 ? 0.3225 0.4406 0.2686 -0.0161 0.0148 0.0412 4 GLU C C 2943 O O . GLU C 6 ? 0.3141 0.4294 0.2453 -0.0241 0.0150 0.0201 4 GLU C O 2944 C CB . GLU C 6 ? 0.3647 0.5519 0.3172 -0.0246 0.0012 0.0748 4 GLU C CB 2945 C CG . GLU C 6 ? 0.4828 0.7014 0.4565 -0.0205 -0.0050 0.1023 4 GLU C CG 2946 C CD . GLU C 6 ? 0.6081 0.8182 0.6146 -0.0035 0.0009 0.1325 4 GLU C CD 2947 O OE1 . GLU C 6 ? 0.6597 0.8507 0.6678 0.0003 0.0078 0.1360 4 GLU C OE1 2948 O OE2 . GLU C 6 ? 0.6612 0.8840 0.6957 0.0055 0.0006 0.1529 4 GLU C OE2 2949 N N . GLN C 7 ? 0.2976 0.4017 0.2512 -0.0105 0.0203 0.0492 5 GLN C N 2950 C CA . GLN C 7 ? 0.2921 0.3794 0.2361 -0.0131 0.0249 0.0339 5 GLN C CA 2951 C C . GLN C 7 ? 0.2954 0.4024 0.2334 -0.0190 0.0255 0.0458 5 GLN C C 2952 O O . GLN C 7 ? 0.3031 0.4275 0.2508 -0.0171 0.0241 0.0703 5 GLN C O 2953 C CB . GLN C 7 ? 0.2815 0.3368 0.2376 -0.0053 0.0316 0.0293 5 GLN C CB 2954 C CG . GLN C 7 ? 0.2615 0.3001 0.2192 -0.0020 0.0315 0.0162 5 GLN C CG 2955 C CD . GLN C 7 ? 0.3009 0.3152 0.2650 0.0002 0.0381 0.0083 5 GLN C CD 2956 O OE1 . GLN C 7 ? 0.3272 0.3295 0.3020 0.0038 0.0434 0.0091 5 GLN C OE1 2957 N NE2 . GLN C 7 ? 0.2717 0.2817 0.2296 -0.0037 0.0388 -0.0006 5 GLN C NE2 2958 N N . SER C 8 ? 0.2882 0.3941 0.2127 -0.0259 0.0286 0.0299 6 SER C N 2959 C CA . SER C 8 ? 0.3053 0.4307 0.2209 -0.0336 0.0309 0.0373 6 SER C CA 2960 C C . SER C 8 ? 0.2933 0.4000 0.2070 -0.0343 0.0382 0.0184 6 SER C C 2961 O O . SER C 8 ? 0.2816 0.3726 0.1962 -0.0324 0.0398 -0.0007 6 SER C O 2962 C CB . SER C 8 ? 0.3231 0.4873 0.2185 -0.0486 0.0269 0.0353 6 SER C CB 2963 O OG . SER C 8 ? 0.3819 0.5742 0.2678 -0.0575 0.0281 0.0501 6 SER C OG 2964 N N . PRO C 9 ? 0.2960 0.4054 0.2114 -0.0362 0.0429 0.0270 7 PRO C N 2965 C CA . PRO C 9 ? 0.2959 0.4204 0.2168 -0.0364 0.0425 0.0550 7 PRO C CA 2966 C C . PRO C 9 ? 0.2881 0.3877 0.2332 -0.0245 0.0445 0.0688 7 PRO C C 2967 O O . PRO C 9 ? 0.2755 0.3495 0.2271 -0.0191 0.0457 0.0538 7 PRO C O 2968 C CB . PRO C 9 ? 0.2924 0.4212 0.2091 -0.0427 0.0499 0.0542 7 PRO C CB 2969 C CG . PRO C 9 ? 0.3000 0.4094 0.2175 -0.0417 0.0542 0.0284 7 PRO C CG 2970 C CD . PRO C 9 ? 0.2924 0.3902 0.2094 -0.0374 0.0499 0.0120 7 PRO C CD 2971 N N . GLN C 10 ? 0.3048 0.4132 0.2646 -0.0215 0.0464 0.0975 8 GLN C N 2972 C CA . GLN C 10 ? 0.3207 0.4020 0.3096 -0.0109 0.0540 0.1099 8 GLN C CA 2973 C C . GLN C 10 ? 0.3186 0.3697 0.3142 -0.0126 0.0642 0.0950 8 GLN C C 2974 O O . GLN C 10 ? 0.2970 0.3190 0.3045 -0.0093 0.0704 0.0811 8 GLN C O 2975 C CB . GLN C 10 ? 0.3446 0.4459 0.3538 -0.0068 0.0557 0.1493 8 GLN C CB 2976 C CG . GLN C 10 ? 0.3887 0.4590 0.4366 0.0034 0.0705 0.1655 8 GLN C CG 2977 C CD . GLN C 10 ? 0.4360 0.5286 0.5129 0.0117 0.0716 0.2095 8 GLN C CD 2978 O OE1 . GLN C 10 ? 0.4452 0.5566 0.5303 0.0178 0.0647 0.2217 8 GLN C OE1 2979 N NE2 . GLN C 10 ? 0.4251 0.5186 0.5210 0.0121 0.0806 0.2363 8 GLN C NE2 2980 N N . SER C 11 ? 0.3198 0.3818 0.3065 -0.0202 0.0663 0.0966 9 SER C N 2981 C CA . SER C 11 ? 0.3208 0.3623 0.3116 -0.0246 0.0741 0.0808 9 SER C CA 2982 C C . SER C 11 ? 0.3201 0.3814 0.2940 -0.0335 0.0734 0.0744 9 SER C C 2983 O O . SER C 11 ? 0.3337 0.4231 0.2942 -0.0377 0.0701 0.0862 9 SER C O 2984 C CB . SER C 11 ? 0.3244 0.3435 0.3432 -0.0227 0.0874 0.0960 9 SER C CB 2985 O OG . SER C 11 ? 0.3290 0.3659 0.3540 -0.0240 0.0904 0.1249 9 SER C OG 2986 N N . LEU C 12 ? 0.3165 0.3665 0.2917 -0.0375 0.0771 0.0554 10 LEU C N 2987 C CA . LEU C 12 ? 0.3291 0.3957 0.2951 -0.0450 0.0796 0.0486 10 LEU C CA 2988 C C . LEU C 12 ? 0.3296 0.3821 0.3098 -0.0496 0.0865 0.0398 10 LEU C C 2989 O O . LEU C 12 ? 0.3222 0.3550 0.3129 -0.0488 0.0868 0.0298 10 LEU C O 2990 C CB . LEU C 12 ? 0.3219 0.4019 0.2724 -0.0455 0.0747 0.0288 10 LEU C CB 2991 C CG . LEU C 12 ? 0.3217 0.3893 0.2780 -0.0415 0.0717 0.0085 10 LEU C CG 2992 C CD1 . LEU C 12 ? 0.3069 0.3883 0.2561 -0.0424 0.0729 -0.0064 10 LEU C CD1 2993 C CD2 . LEU C 12 ? 0.3301 0.3816 0.2884 -0.0346 0.0650 0.0071 10 LEU C CD2 2994 N N . VAL C 13 ? 0.3207 0.3872 0.3002 -0.0567 0.0925 0.0427 11 VAL C N 2995 C CA . VAL C 13 ? 0.3152 0.3749 0.3088 -0.0634 0.0989 0.0348 11 VAL C CA 2996 C C . VAL C 13 ? 0.3140 0.3940 0.3027 -0.0658 0.0984 0.0196 11 VAL C C 2997 O O . VAL C 13 ? 0.3122 0.4118 0.2899 -0.0682 0.1019 0.0222 11 VAL C O 2998 C CB . VAL C 13 ? 0.3331 0.3901 0.3379 -0.0700 0.1100 0.0552 11 VAL C CB 2999 C CG1 . VAL C 13 ? 0.3017 0.3565 0.3205 -0.0800 0.1176 0.0460 11 VAL C CG1 3000 C CG2 . VAL C 13 ? 0.3292 0.3631 0.3487 -0.0655 0.1143 0.0723 11 VAL C CG2 3001 N N . VAL C 14 ? 0.3120 0.3905 0.3112 -0.0659 0.0954 0.0046 12 VAL C N 3002 C CA . VAL C 14 ? 0.2990 0.3974 0.3037 -0.0661 0.0972 -0.0059 12 VAL C CA 3003 C C . VAL C 14 ? 0.3004 0.4066 0.3244 -0.0735 0.0997 -0.0101 12 VAL C C 3004 O O . VAL C 14 ? 0.3126 0.4079 0.3436 -0.0796 0.0976 -0.0112 12 VAL C O 3005 C CB . VAL C 14 ? 0.2787 0.3793 0.2825 -0.0567 0.0906 -0.0168 12 VAL C CB 3006 C CG1 . VAL C 14 ? 0.2763 0.3675 0.2625 -0.0516 0.0863 -0.0142 12 VAL C CG1 3007 C CG2 . VAL C 14 ? 0.2764 0.3746 0.2934 -0.0556 0.0827 -0.0216 12 VAL C CG2 3008 N N . ARG C 15 ? 0.2903 0.4174 0.3245 -0.0742 0.1052 -0.0144 13 ARG C N 3009 C CA . ARG C 15 ? 0.3119 0.4543 0.3677 -0.0816 0.1070 -0.0170 13 ARG C CA 3010 C C . ARG C 15 ? 0.2951 0.4500 0.3663 -0.0763 0.0977 -0.0227 13 ARG C C 3011 O O . ARG C 15 ? 0.2927 0.4506 0.3658 -0.0649 0.0963 -0.0254 13 ARG C O 3012 C CB . ARG C 15 ? 0.3104 0.4733 0.3748 -0.0841 0.1188 -0.0171 13 ARG C CB 3013 C CG . ARG C 15 ? 0.3956 0.5557 0.4495 -0.0934 0.1287 -0.0075 13 ARG C CG 3014 C CD . ARG C 15 ? 0.5046 0.6900 0.5703 -0.0962 0.1405 -0.0114 13 ARG C CD 3015 N NE . ARG C 15 ? 0.6583 0.8503 0.7155 -0.1062 0.1522 -0.0021 13 ARG C NE 3016 C CZ . ARG C 15 ? 0.7232 0.9328 0.7705 -0.1081 0.1640 -0.0048 13 ARG C CZ 3017 N NH1 . ARG C 15 ? 0.7243 0.9416 0.7706 -0.1003 0.1674 -0.0195 13 ARG C NH1 3018 N NH2 . ARG C 15 ? 0.7505 0.9701 0.7894 -0.1192 0.1742 0.0065 13 ARG C NH2 3019 N N . GLN C 16 ? 0.2920 0.4567 0.3758 -0.0861 0.0921 -0.0239 14 GLN C N 3020 C CA . GLN C 16 ? 0.2938 0.4810 0.3941 -0.0839 0.0813 -0.0243 14 GLN C CA 3021 C C . GLN C 16 ? 0.2855 0.4942 0.4085 -0.0709 0.0848 -0.0207 14 GLN C C 3022 O O . GLN C 16 ? 0.2803 0.5031 0.4181 -0.0720 0.0953 -0.0203 14 GLN C O 3023 C CB . GLN C 16 ? 0.2977 0.5072 0.4121 -0.1012 0.0780 -0.0258 14 GLN C CB 3024 C CG . GLN C 16 ? 0.3477 0.5902 0.4784 -0.1018 0.0646 -0.0218 14 GLN C CG 3025 C CD . GLN C 16 ? 0.4116 0.6891 0.5592 -0.1216 0.0608 -0.0227 14 GLN C CD 3026 O OE1 . GLN C 16 ? 0.4043 0.6708 0.5419 -0.1407 0.0653 -0.0328 14 GLN C OE1 3027 N NE2 . GLN C 16 ? 0.3891 0.7106 0.5665 -0.1177 0.0538 -0.0112 14 GLN C NE2 3028 N N . GLY C 17 ? 0.2742 0.4843 0.4031 -0.0586 0.0785 -0.0179 15 GLY C N 3029 C CA . GLY C 17 ? 0.2741 0.5016 0.4332 -0.0451 0.0851 -0.0137 15 GLY C CA 3030 C C . GLY C 17 ? 0.2933 0.4973 0.4422 -0.0339 0.0959 -0.0214 15 GLY C C 3031 O O . GLY C 17 ? 0.2935 0.5030 0.4678 -0.0216 0.1031 -0.0202 15 GLY C O 3032 N N . GLU C 18 ? 0.3037 0.4836 0.4184 -0.0393 0.0981 -0.0285 16 GLU C N 3033 C CA . GLU C 18 ? 0.3178 0.4808 0.4163 -0.0344 0.1072 -0.0373 16 GLU C CA 3034 C C . GLU C 18 ? 0.3184 0.4656 0.4092 -0.0269 0.0976 -0.0367 16 GLU C C 3035 O O . GLU C 18 ? 0.3058 0.4500 0.3905 -0.0287 0.0839 -0.0302 16 GLU C O 3036 C CB . GLU C 18 ? 0.3345 0.4878 0.4015 -0.0447 0.1114 -0.0393 16 GLU C CB 3037 C CG . GLU C 18 ? 0.3755 0.5454 0.4489 -0.0522 0.1250 -0.0408 16 GLU C CG 3038 C CD . GLU C 18 ? 0.4880 0.6545 0.5339 -0.0639 0.1285 -0.0354 16 GLU C CD 3039 O OE1 . GLU C 18 ? 0.4309 0.5819 0.4537 -0.0656 0.1207 -0.0284 16 GLU C OE1 3040 O OE2 . GLU C 18 ? 0.5126 0.6952 0.5640 -0.0710 0.1406 -0.0358 16 GLU C OE2 3041 N N . ASN C 19 ? 0.3171 0.4552 0.4092 -0.0201 0.1067 -0.0452 17 ASN C N 3042 C CA . ASN C 19 ? 0.3401 0.4612 0.4212 -0.0150 0.0994 -0.0458 17 ASN C CA 3043 C C . ASN C 19 ? 0.3533 0.4609 0.3974 -0.0226 0.0957 -0.0494 17 ASN C C 3044 O O . ASN C 19 ? 0.3819 0.4941 0.4112 -0.0304 0.1029 -0.0530 17 ASN C O 3045 C CB . ASN C 19 ? 0.3360 0.4510 0.4367 -0.0067 0.1134 -0.0551 17 ASN C CB 3046 C CG . ASN C 19 ? 0.3455 0.4759 0.4927 0.0031 0.1219 -0.0484 17 ASN C CG 3047 O OD1 . ASN C 19 ? 0.3110 0.4578 0.4767 0.0068 0.1100 -0.0319 17 ASN C OD1 3048 N ND2 . ASN C 19 ? 0.3737 0.5020 0.5416 0.0064 0.1437 -0.0611 17 ASN C ND2 3049 N N . CYS C 20 ? 0.3538 0.4482 0.3846 -0.0204 0.0849 -0.0462 18 CYS C N 3050 C CA . CYS C 20 ? 0.3721 0.4571 0.3753 -0.0249 0.0835 -0.0491 18 CYS C CA 3051 C C . CYS C 20 ? 0.3683 0.4411 0.3674 -0.0199 0.0786 -0.0519 18 CYS C C 3052 O O . CYS C 20 ? 0.3579 0.4268 0.3735 -0.0127 0.0745 -0.0487 18 CYS C O 3053 C CB . CYS C 20 ? 0.3773 0.4591 0.3653 -0.0303 0.0762 -0.0387 18 CYS C CB 3054 S SG . CYS C 20 ? 0.4213 0.4936 0.4157 -0.0279 0.0643 -0.0323 18 CYS C SG 3055 N N . VAL C 21 ? 0.3679 0.4388 0.3453 -0.0252 0.0787 -0.0555 19 VAL C N 3056 C CA . VAL C 21 ? 0.3670 0.4292 0.3388 -0.0235 0.0758 -0.0601 19 VAL C CA 3057 C C . VAL C 21 ? 0.3554 0.4176 0.3067 -0.0267 0.0659 -0.0506 19 VAL C C 3058 O O . VAL C 21 ? 0.3534 0.4277 0.2909 -0.0337 0.0666 -0.0455 19 VAL C O 3059 C CB . VAL C 21 ? 0.3908 0.4573 0.3602 -0.0301 0.0894 -0.0777 19 VAL C CB 3060 C CG1 . VAL C 21 ? 0.4043 0.4613 0.3711 -0.0301 0.0879 -0.0840 19 VAL C CG1 3061 C CG2 . VAL C 21 ? 0.4038 0.4690 0.4011 -0.0254 0.1039 -0.0865 19 VAL C CG2 3062 N N . LEU C 22 ? 0.3304 0.3817 0.2829 -0.0214 0.0577 -0.0460 20 LEU C N 3063 C CA . LEU C 22 ? 0.3241 0.3748 0.2646 -0.0222 0.0504 -0.0364 20 LEU C CA 3064 C C . LEU C 22 ? 0.3232 0.3742 0.2582 -0.0235 0.0488 -0.0426 20 LEU C C 3065 O O . LEU C 22 ? 0.3188 0.3607 0.2633 -0.0204 0.0511 -0.0509 20 LEU C O 3066 C CB . LEU C 22 ? 0.3062 0.3441 0.2537 -0.0169 0.0449 -0.0287 20 LEU C CB 3067 C CG . LEU C 22 ? 0.3306 0.3676 0.2868 -0.0181 0.0470 -0.0270 20 LEU C CG 3068 C CD1 . LEU C 22 ? 0.3389 0.3652 0.2980 -0.0181 0.0443 -0.0236 20 LEU C CD1 3069 C CD2 . LEU C 22 ? 0.3063 0.3518 0.2592 -0.0231 0.0522 -0.0220 20 LEU C CD2 3070 N N . GLN C 23 ? 0.3212 0.3845 0.2442 -0.0284 0.0448 -0.0361 21 GLN C N 3071 C CA . GLN C 23 ? 0.3273 0.3956 0.2450 -0.0327 0.0431 -0.0430 21 GLN C CA 3072 C C . GLN C 23 ? 0.3074 0.3741 0.2269 -0.0277 0.0348 -0.0302 21 GLN C C 3073 O O . GLN C 23 ? 0.2973 0.3660 0.2199 -0.0235 0.0316 -0.0142 21 GLN C O 3074 C CB . GLN C 23 ? 0.3384 0.4330 0.2400 -0.0471 0.0460 -0.0489 21 GLN C CB 3075 C CG . GLN C 23 ? 0.4531 0.5558 0.3500 -0.0535 0.0553 -0.0566 21 GLN C CG 3076 C CD . GLN C 23 ? 0.5745 0.6729 0.4741 -0.0609 0.0691 -0.0824 21 GLN C CD 3077 O OE1 . GLN C 23 ? 0.6306 0.7205 0.5346 -0.0629 0.0717 -0.0942 21 GLN C OE1 3078 N NE2 . GLN C 23 ? 0.6337 0.7372 0.5338 -0.0655 0.0807 -0.0918 21 GLN C NE2 3079 N N . CYS C 24 ? 0.3081 0.3711 0.2290 -0.0285 0.0335 -0.0374 22 CYS C N 3080 C CA . CYS C 24 ? 0.3239 0.3878 0.2483 -0.0246 0.0272 -0.0273 22 CYS C CA 3081 C C . CYS C 24 ? 0.3296 0.4098 0.2477 -0.0348 0.0259 -0.0349 22 CYS C C 3082 O O . CYS C 24 ? 0.3479 0.4200 0.2663 -0.0401 0.0321 -0.0520 22 CYS C O 3083 C CB . CYS C 24 ? 0.3200 0.3608 0.2541 -0.0159 0.0276 -0.0292 22 CYS C CB 3084 S SG . CYS C 24 ? 0.4118 0.4521 0.3516 -0.0115 0.0235 -0.0200 22 CYS C SG 3085 N N . ASN C 25 ? 0.3160 0.4209 0.2317 -0.0386 0.0192 -0.0218 23 ASN C N 3086 C CA . ASN C 25 ? 0.3254 0.4517 0.2355 -0.0510 0.0166 -0.0287 23 ASN C CA 3087 C C . ASN C 25 ? 0.3106 0.4423 0.2330 -0.0441 0.0101 -0.0135 23 ASN C C 3088 O O . ASN C 25 ? 0.3210 0.4559 0.2540 -0.0339 0.0072 0.0068 23 ASN C O 3089 C CB . ASN C 25 ? 0.3281 0.4935 0.2222 -0.0679 0.0141 -0.0281 23 ASN C CB 3090 C CG . ASN C 25 ? 0.3998 0.5599 0.2815 -0.0783 0.0249 -0.0508 23 ASN C CG 3091 O OD1 . ASN C 25 ? 0.4303 0.5881 0.3073 -0.0912 0.0334 -0.0753 23 ASN C OD1 3092 N ND2 . ASN C 25 ? 0.3895 0.5470 0.2692 -0.0733 0.0270 -0.0433 23 ASN C ND2 3093 N N . TYR C 26 ? 0.2938 0.4244 0.2185 -0.0491 0.0103 -0.0234 24 TYR C N 3094 C CA . TYR C 26 ? 0.2835 0.4188 0.2222 -0.0421 0.0059 -0.0100 24 TYR C CA 3095 C C . TYR C 26 ? 0.2768 0.4411 0.2146 -0.0563 0.0015 -0.0137 24 TYR C C 3096 O O . TYR C 26 ? 0.2796 0.4508 0.2055 -0.0726 0.0045 -0.0330 24 TYR C O 3097 C CB . TYR C 26 ? 0.2711 0.3697 0.2185 -0.0299 0.0114 -0.0145 24 TYR C CB 3098 C CG . TYR C 26 ? 0.2617 0.3408 0.2060 -0.0353 0.0170 -0.0336 24 TYR C CG 3099 C CD1 . TYR C 26 ? 0.2725 0.3524 0.2223 -0.0405 0.0179 -0.0385 24 TYR C CD1 3100 C CD2 . TYR C 26 ? 0.3041 0.3641 0.2450 -0.0344 0.0229 -0.0440 24 TYR C CD2 3101 C CE1 . TYR C 26 ? 0.2650 0.3244 0.2177 -0.0445 0.0254 -0.0525 24 TYR C CE1 3102 C CE2 . TYR C 26 ? 0.2881 0.3294 0.2346 -0.0371 0.0306 -0.0571 24 TYR C CE2 3103 C CZ . TYR C 26 ? 0.3004 0.3399 0.2532 -0.0417 0.0321 -0.0603 24 TYR C CZ 3104 O OH . TYR C 26 ? 0.3225 0.3421 0.2858 -0.0437 0.0415 -0.0700 24 TYR C OH 3105 N N . SER C 27 ? 0.2739 0.4555 0.2271 -0.0510 -0.0036 0.0036 25 SER C N 3106 C CA . SER C 27 ? 0.2903 0.4984 0.2471 -0.0635 -0.0077 0.0007 25 SER C CA 3107 C C . SER C 27 ? 0.2780 0.4656 0.2511 -0.0534 -0.0039 0.0018 25 SER C C 3108 O O . SER C 27 ? 0.2934 0.5019 0.2737 -0.0619 -0.0067 0.0016 25 SER C O 3109 C CB . SER C 27 ? 0.2943 0.5570 0.2575 -0.0698 -0.0188 0.0240 25 SER C CB 3110 O OG . SER C 27 ? 0.3267 0.5875 0.3115 -0.0497 -0.0194 0.0514 25 SER C OG 3111 N N . VAL C 28 ? 0.2659 0.4165 0.2438 -0.0378 0.0026 0.0020 26 VAL C N 3112 C CA . VAL C 28 ? 0.2612 0.3926 0.2499 -0.0304 0.0079 0.0009 26 VAL C CA 3113 C C . VAL C 28 ? 0.2829 0.4098 0.2671 -0.0430 0.0101 -0.0152 26 VAL C C 3114 O O . VAL C 28 ? 0.2862 0.3989 0.2594 -0.0509 0.0135 -0.0307 26 VAL C O 3115 C CB . VAL C 28 ? 0.2547 0.3493 0.2405 -0.0184 0.0151 -0.0024 26 VAL C CB 3116 C CG1 . VAL C 28 ? 0.2404 0.3198 0.2321 -0.0148 0.0210 -0.0049 26 VAL C CG1 3117 C CG2 . VAL C 28 ? 0.2297 0.3227 0.2229 -0.0074 0.0167 0.0105 26 VAL C CG2 3118 N N . THR C 29 ? 0.2940 0.4316 0.2907 -0.0446 0.0105 -0.0113 27 THR C N 3119 C CA . THR C 29 ? 0.3159 0.4508 0.3128 -0.0577 0.0138 -0.0246 27 THR C CA 3120 C C . THR C 29 ? 0.3153 0.4397 0.3245 -0.0501 0.0189 -0.0186 27 THR C C 3121 O O . THR C 29 ? 0.2955 0.4363 0.3185 -0.0418 0.0177 -0.0048 27 THR C O 3122 C CB . THR C 29 ? 0.3323 0.5100 0.3314 -0.0757 0.0069 -0.0261 27 THR C CB 3123 O OG1 . THR C 29 ? 0.3853 0.5763 0.3689 -0.0862 0.0036 -0.0338 27 THR C OG1 3124 C CG2 . THR C 29 ? 0.3537 0.5286 0.3558 -0.0918 0.0124 -0.0418 27 THR C CG2 3125 N N . PRO C 30 ? 0.3238 0.4214 0.3306 -0.0521 0.0261 -0.0271 28 PRO C N 3126 C CA . PRO C 30 ? 0.3202 0.3916 0.3189 -0.0559 0.0310 -0.0388 28 PRO C CA 3127 C C . PRO C 30 ? 0.3189 0.3718 0.3091 -0.0428 0.0308 -0.0343 28 PRO C C 3128 O O . PRO C 30 ? 0.3150 0.3705 0.3046 -0.0325 0.0289 -0.0249 28 PRO C O 3129 C CB . PRO C 30 ? 0.3371 0.3914 0.3440 -0.0586 0.0388 -0.0391 28 PRO C CB 3130 C CG . PRO C 30 ? 0.3143 0.3798 0.3269 -0.0526 0.0382 -0.0280 28 PRO C CG 3131 C CD . PRO C 30 ? 0.3144 0.4096 0.3314 -0.0508 0.0312 -0.0225 28 PRO C CD 3132 N N . ASP C 31 ? 0.3151 0.3504 0.3018 -0.0441 0.0344 -0.0420 29 ASP C N 3133 C CA . ASP C 31 ? 0.3062 0.3282 0.2864 -0.0338 0.0336 -0.0382 29 ASP C CA 3134 C C . ASP C 31 ? 0.3024 0.3033 0.2888 -0.0301 0.0393 -0.0347 29 ASP C C 3135 O O . ASP C 31 ? 0.3190 0.3073 0.3142 -0.0335 0.0459 -0.0410 29 ASP C O 3136 C CB . ASP C 31 ? 0.3150 0.3412 0.2891 -0.0375 0.0328 -0.0468 29 ASP C CB 3137 C CG . ASP C 31 ? 0.3477 0.3717 0.3260 -0.0516 0.0403 -0.0635 29 ASP C CG 3138 O OD1 . ASP C 31 ? 0.3712 0.3957 0.3574 -0.0605 0.0443 -0.0683 29 ASP C OD1 3139 O OD2 . ASP C 31 ? 0.3637 0.3856 0.3383 -0.0554 0.0442 -0.0737 29 ASP C OD2 3140 N N . ASN C 32 ? 0.2891 0.2886 0.2732 -0.0242 0.0382 -0.0239 30 ASN C N 3141 C CA . ASN C 32 ? 0.2921 0.2809 0.2814 -0.0214 0.0413 -0.0142 30 ASN C CA 3142 C C . ASN C 32 ? 0.2913 0.2753 0.2801 -0.0153 0.0395 -0.0100 30 ASN C C 3143 O O . ASN C 32 ? 0.2985 0.2732 0.3020 -0.0133 0.0440 -0.0040 30 ASN C O 3144 C CB . ASN C 32 ? 0.2815 0.2774 0.2646 -0.0210 0.0409 -0.0046 30 ASN C CB 3145 C CG . ASN C 32 ? 0.2873 0.2813 0.2730 -0.0194 0.0416 0.0104 30 ASN C CG 3146 O OD1 . ASN C 32 ? 0.3226 0.3240 0.2985 -0.0170 0.0375 0.0159 30 ASN C OD1 3147 N ND2 . ASN C 32 ? 0.2696 0.2567 0.2704 -0.0217 0.0470 0.0187 30 ASN C ND2 3148 N N . HIS C 33 ? 0.2801 0.2708 0.2563 -0.0121 0.0344 -0.0118 31 HIS C N 3149 C CA . HIS C 33 ? 0.2970 0.2871 0.2733 -0.0077 0.0322 -0.0080 31 HIS C CA 3150 C C . HIS C 33 ? 0.2945 0.2883 0.2604 -0.0067 0.0292 -0.0157 31 HIS C C 3151 O O . HIS C 33 ? 0.3015 0.2996 0.2613 -0.0076 0.0287 -0.0195 31 HIS C O 3152 C CB . HIS C 33 ? 0.2781 0.2769 0.2505 -0.0073 0.0292 0.0053 31 HIS C CB 3153 C CG . HIS C 33 ? 0.3185 0.3261 0.2742 -0.0114 0.0282 0.0022 31 HIS C CG 3154 N ND1 . HIS C 33 ? 0.3207 0.3303 0.2738 -0.0148 0.0316 0.0023 31 HIS C ND1 3155 C CD2 . HIS C 33 ? 0.3130 0.3260 0.2563 -0.0134 0.0272 -0.0037 31 HIS C CD2 3156 C CE1 . HIS C 33 ? 0.3279 0.3435 0.2687 -0.0180 0.0339 -0.0038 31 HIS C CE1 3157 N NE2 . HIS C 33 ? 0.3316 0.3481 0.2666 -0.0178 0.0319 -0.0083 31 HIS C NE2 3158 N N . LEU C 34 ? 0.2897 0.2828 0.2578 -0.0040 0.0283 -0.0154 32 LEU C N 3159 C CA . LEU C 34 ? 0.2822 0.2780 0.2427 -0.0035 0.0266 -0.0209 32 LEU C CA 3160 C C . LEU C 34 ? 0.2867 0.2872 0.2451 -0.0026 0.0240 -0.0163 32 LEU C C 3161 O O . LEU C 34 ? 0.2899 0.2931 0.2588 -0.0005 0.0236 -0.0096 32 LEU C O 3162 C CB . LEU C 34 ? 0.2754 0.2695 0.2400 -0.0046 0.0294 -0.0287 32 LEU C CB 3163 C CG . LEU C 34 ? 0.2921 0.2922 0.2485 -0.0051 0.0277 -0.0315 32 LEU C CG 3164 C CD1 . LEU C 34 ? 0.2605 0.2692 0.2137 -0.0110 0.0290 -0.0387 32 LEU C CD1 3165 C CD2 . LEU C 34 ? 0.2920 0.2915 0.2509 -0.0026 0.0280 -0.0303 32 LEU C CD2 3166 N N . ARG C 35 ? 0.2776 0.2806 0.2262 -0.0049 0.0236 -0.0193 33 ARG C N 3167 C CA . ARG C 35 ? 0.2914 0.3021 0.2365 -0.0082 0.0215 -0.0179 33 ARG C CA 3168 C C . ARG C 35 ? 0.2959 0.3040 0.2401 -0.0084 0.0230 -0.0234 33 ARG C C 3169 O O . ARG C 35 ? 0.2983 0.2993 0.2414 -0.0070 0.0265 -0.0269 33 ARG C O 3170 C CB . ARG C 35 ? 0.3112 0.3281 0.2453 -0.0154 0.0227 -0.0195 33 ARG C CB 3171 C CG . ARG C 35 ? 0.3631 0.3954 0.2905 -0.0241 0.0201 -0.0196 33 ARG C CG 3172 C CD . ARG C 35 ? 0.4370 0.4748 0.3499 -0.0354 0.0253 -0.0283 33 ARG C CD 3173 N NE . ARG C 35 ? 0.3987 0.4429 0.3080 -0.0363 0.0245 -0.0212 33 ARG C NE 3174 C CZ . ARG C 35 ? 0.3891 0.4560 0.2939 -0.0424 0.0181 -0.0088 33 ARG C CZ 3175 N NH1 . ARG C 35 ? 0.3548 0.4425 0.2597 -0.0477 0.0108 -0.0017 33 ARG C NH1 3176 N NH2 . ARG C 35 ? 0.3647 0.4368 0.2669 -0.0434 0.0186 -0.0008 33 ARG C NH2 3177 N N . TRP C 36 ? 0.2850 0.3014 0.2324 -0.0102 0.0206 -0.0214 34 TRP C N 3178 C CA . TRP C 36 ? 0.2702 0.2849 0.2163 -0.0128 0.0230 -0.0266 34 TRP C CA 3179 C C . TRP C 36 ? 0.2822 0.3045 0.2216 -0.0231 0.0237 -0.0313 34 TRP C C 3180 O O . TRP C 36 ? 0.2659 0.3061 0.2035 -0.0289 0.0184 -0.0271 34 TRP C O 3181 C CB . TRP C 36 ? 0.2659 0.2857 0.2218 -0.0094 0.0221 -0.0239 34 TRP C CB 3182 C CG . TRP C 36 ? 0.2518 0.2645 0.2112 -0.0042 0.0253 -0.0259 34 TRP C CG 3183 C CD1 . TRP C 36 ? 0.2227 0.2332 0.1902 -0.0006 0.0269 -0.0255 34 TRP C CD1 3184 C CD2 . TRP C 36 ? 0.2020 0.2121 0.1571 -0.0048 0.0284 -0.0289 34 TRP C CD2 3185 N NE1 . TRP C 36 ? 0.2026 0.2105 0.1680 -0.0014 0.0312 -0.0322 34 TRP C NE1 3186 C CE2 . TRP C 36 ? 0.2120 0.2226 0.1686 -0.0038 0.0309 -0.0325 34 TRP C CE2 3187 C CE3 . TRP C 36 ? 0.2619 0.2707 0.2136 -0.0072 0.0305 -0.0280 34 TRP C CE3 3188 C CZ2 . TRP C 36 ? 0.2310 0.2471 0.1812 -0.0070 0.0334 -0.0350 34 TRP C CZ2 3189 C CZ3 . TRP C 36 ? 0.2514 0.2635 0.2004 -0.0074 0.0328 -0.0259 34 TRP C CZ3 3190 C CH2 . TRP C 36 ? 0.2665 0.2853 0.2126 -0.0082 0.0331 -0.0292 34 TRP C CH2 3191 N N . PHE C 37 ? 0.2845 0.2954 0.2219 -0.0267 0.0312 -0.0393 35 PHE C N 3192 C CA . PHE C 37 ? 0.2999 0.3144 0.2319 -0.0398 0.0361 -0.0494 35 PHE C CA 3193 C C . PHE C 37 ? 0.3126 0.3236 0.2515 -0.0423 0.0396 -0.0516 35 PHE C C 3194 O O . PHE C 37 ? 0.2984 0.2981 0.2448 -0.0336 0.0421 -0.0462 35 PHE C O 3195 C CB . PHE C 37 ? 0.3108 0.3093 0.2415 -0.0432 0.0484 -0.0595 35 PHE C CB 3196 C CG . PHE C 37 ? 0.3384 0.3429 0.2598 -0.0466 0.0485 -0.0620 35 PHE C CG 3197 C CD1 . PHE C 37 ? 0.3031 0.3250 0.2108 -0.0626 0.0487 -0.0706 35 PHE C CD1 3198 C CD2 . PHE C 37 ? 0.3668 0.3627 0.2929 -0.0358 0.0493 -0.0560 35 PHE C CD2 3199 C CE1 . PHE C 37 ? 0.3579 0.3875 0.2550 -0.0677 0.0505 -0.0731 35 PHE C CE1 3200 C CE2 . PHE C 37 ? 0.3782 0.3799 0.2965 -0.0396 0.0509 -0.0583 35 PHE C CE2 3201 C CZ . PHE C 37 ? 0.3827 0.4003 0.2861 -0.0552 0.0521 -0.0666 35 PHE C CZ 3202 N N . LYS C 38 ? 0.3128 0.3367 0.2481 -0.0566 0.0401 -0.0594 36 LYS C N 3203 C CA . LYS C 38 ? 0.3168 0.3372 0.2579 -0.0645 0.0463 -0.0657 36 LYS C CA 3204 C C . LYS C 38 ? 0.3382 0.3448 0.2771 -0.0790 0.0613 -0.0836 36 LYS C C 3205 O O . LYS C 38 ? 0.3578 0.3766 0.2845 -0.0929 0.0624 -0.0950 36 LYS C O 3206 C CB . LYS C 38 ? 0.3153 0.3656 0.2570 -0.0731 0.0364 -0.0627 36 LYS C CB 3207 C CG . LYS C 38 ? 0.3250 0.3748 0.2745 -0.0820 0.0422 -0.0684 36 LYS C CG 3208 C CD . LYS C 38 ? 0.3551 0.4405 0.3095 -0.0902 0.0318 -0.0633 36 LYS C CD 3209 C CE . LYS C 38 ? 0.3456 0.4293 0.3067 -0.1031 0.0398 -0.0726 36 LYS C CE 3210 N NZ . LYS C 38 ? 0.3748 0.4969 0.3381 -0.1202 0.0320 -0.0740 36 LYS C NZ 3211 N N . GLN C 39 ? 0.3434 0.3256 0.2955 -0.0768 0.0746 -0.0858 37 GLN C N 3212 C CA . GLN C 39 ? 0.3712 0.3341 0.3299 -0.0902 0.0943 -0.1038 37 GLN C CA 3213 C C . GLN C 39 ? 0.3971 0.3507 0.3687 -0.0987 0.1038 -0.1076 37 GLN C C 3214 O O . GLN C 39 ? 0.4023 0.3402 0.3898 -0.0862 0.1079 -0.0932 37 GLN C O 3215 C CB . GLN C 39 ? 0.3667 0.3029 0.3390 -0.0775 0.1073 -0.1002 37 GLN C CB 3216 C CG . GLN C 39 ? 0.3905 0.2990 0.3802 -0.0879 0.1340 -0.1177 37 GLN C CG 3217 C CD . GLN C 39 ? 0.4058 0.2914 0.4177 -0.0714 0.1471 -0.1083 37 GLN C CD 3218 O OE1 . GLN C 39 ? 0.3971 0.2848 0.4176 -0.0524 0.1376 -0.0842 37 GLN C OE1 3219 N NE2 . GLN C 39 ? 0.3826 0.2505 0.4044 -0.0799 0.1692 -0.1275 37 GLN C NE2 3220 N N . ASP C 40 ? 0.4363 0.4033 0.4010 -0.1216 0.1070 -0.1258 38 ASP C N 3221 C CA . ASP C 40 ? 0.4747 0.4319 0.4530 -0.1339 0.1189 -0.1334 38 ASP C CA 3222 C C . ASP C 40 ? 0.5082 0.4248 0.5076 -0.1358 0.1464 -0.1439 38 ASP C C 3223 O O . ASP C 40 ? 0.5117 0.4140 0.5118 -0.1361 0.1581 -0.1546 38 ASP C O 3224 C CB . ASP C 40 ? 0.5027 0.4891 0.4684 -0.1627 0.1165 -0.1535 38 ASP C CB 3225 C CG . ASP C 40 ? 0.5397 0.5713 0.4924 -0.1614 0.0907 -0.1397 38 ASP C CG 3226 O OD1 . ASP C 40 ? 0.5695 0.6045 0.5255 -0.1386 0.0775 -0.1173 38 ASP C OD1 3227 O OD2 . ASP C 40 ? 0.5971 0.6633 0.5383 -0.1845 0.0847 -0.1514 38 ASP C OD2 3228 N N . THR C 41 ? 0.5354 0.4335 0.5554 -0.1372 0.1587 -0.1401 39 THR C N 3229 C CA . THR C 41 ? 0.5832 0.4401 0.6334 -0.1346 0.1865 -0.1422 39 THR C CA 3230 C C . THR C 41 ? 0.6203 0.4646 0.6702 -0.1603 0.2090 -0.1787 39 THR C C 3231 O O . THR C 41 ? 0.6324 0.4927 0.6699 -0.1874 0.2105 -0.2019 39 THR C O 3232 C CB . THR C 41 ? 0.5963 0.4394 0.6688 -0.1350 0.1955 -0.1304 39 THR C CB 3233 O OG1 . THR C 41 ? 0.6389 0.4868 0.7081 -0.1641 0.2047 -0.1574 39 THR C OG1 3234 C CG2 . THR C 41 ? 0.5687 0.4373 0.6308 -0.1199 0.1713 -0.1034 39 THR C CG2 3235 N N . GLY C 42 ? 0.6358 0.4552 0.6997 -0.1535 0.2271 -0.1846 40 GLY C N 3236 C CA . GLY C 42 ? 0.6727 0.4801 0.7350 -0.1785 0.2517 -0.2226 40 GLY C CA 3237 C C . GLY C 42 ? 0.6701 0.5110 0.6950 -0.1902 0.2373 -0.2384 40 GLY C C 3238 O O . GLY C 42 ? 0.7104 0.5474 0.7286 -0.2130 0.2568 -0.2710 40 GLY C O 3239 N N . LYS C 43 ? 0.6343 0.5080 0.6361 -0.1756 0.2052 -0.2155 41 LYS C N 3240 C CA . LYS C 43 ? 0.6323 0.5432 0.5996 -0.1891 0.1898 -0.2262 41 LYS C CA 3241 C C . LYS C 43 ? 0.5959 0.5098 0.5573 -0.1672 0.1792 -0.2093 41 LYS C C 3242 O O . LYS C 43 ? 0.5941 0.4803 0.5794 -0.1439 0.1871 -0.1937 41 LYS C O 3243 C CB . LYS C 43 ? 0.6243 0.5796 0.5697 -0.2005 0.1634 -0.2195 41 LYS C CB 3244 C CG . LYS C 43 ? 0.7112 0.6759 0.6528 -0.2357 0.1767 -0.2493 41 LYS C CG 3245 C CD . LYS C 43 ? 0.7698 0.7740 0.7030 -0.2435 0.1538 -0.2379 41 LYS C CD 3246 C CE . LYS C 43 ? 0.8257 0.8587 0.7448 -0.2853 0.1610 -0.2695 41 LYS C CE 3247 N NZ . LYS C 43 ? 0.8439 0.9028 0.7692 -0.2924 0.1475 -0.2599 41 LYS C NZ 3248 N N . GLY C 44 ? 0.5668 0.5172 0.4982 -0.1765 0.1621 -0.2115 42 GLY C N 3249 C CA . GLY C 44 ? 0.5306 0.4870 0.4542 -0.1601 0.1524 -0.1976 42 GLY C CA 3250 C C . GLY C 44 ? 0.4870 0.4619 0.4066 -0.1388 0.1239 -0.1659 42 GLY C C 3251 O O . GLY C 44 ? 0.4531 0.4309 0.3800 -0.1326 0.1141 -0.1533 42 GLY C O 3252 N N . LEU C 45 ? 0.4634 0.4498 0.3728 -0.1288 0.1134 -0.1549 43 LEU C N 3253 C CA . LEU C 45 ? 0.4388 0.4362 0.3483 -0.1085 0.0918 -0.1281 43 LEU C CA 3254 C C . LEU C 45 ? 0.4328 0.4704 0.3231 -0.1185 0.0729 -0.1210 43 LEU C C 3255 O O . LEU C 45 ? 0.4576 0.5147 0.3307 -0.1319 0.0728 -0.1280 43 LEU C O 3256 C CB . LEU C 45 ? 0.4287 0.4141 0.3430 -0.0924 0.0936 -0.1196 43 LEU C CB 3257 C CG . LEU C 45 ? 0.4545 0.4062 0.3931 -0.0818 0.1134 -0.1226 43 LEU C CG 3258 C CD1 . LEU C 45 ? 0.4756 0.4234 0.4170 -0.0732 0.1182 -0.1202 43 LEU C CD1 3259 C CD2 . LEU C 45 ? 0.3902 0.3318 0.3458 -0.0640 0.1066 -0.1026 43 LEU C CD2 3260 N N . VAL C 46 ? 0.4052 0.4575 0.3006 -0.1126 0.0582 -0.1059 44 VAL C N 3261 C CA . VAL C 46 ? 0.3923 0.4835 0.2797 -0.1158 0.0395 -0.0904 44 VAL C CA 3262 C C . VAL C 46 ? 0.3520 0.4380 0.2503 -0.0919 0.0289 -0.0676 44 VAL C C 3263 O O . VAL C 46 ? 0.3208 0.3892 0.2332 -0.0768 0.0287 -0.0608 44 VAL C O 3264 C CB . VAL C 46 ? 0.4094 0.5247 0.3011 -0.1271 0.0328 -0.0896 44 VAL C CB 3265 C CG1 . VAL C 46 ? 0.4257 0.5818 0.3209 -0.1241 0.0134 -0.0657 44 VAL C CG1 3266 C CG2 . VAL C 46 ? 0.4181 0.5451 0.2962 -0.1564 0.0431 -0.1148 44 VAL C CG2 3267 N N . SER C 47 ? 0.3525 0.4536 0.2439 -0.0903 0.0220 -0.0570 45 SER C N 3268 C CA . SER C 47 ? 0.3328 0.4298 0.2365 -0.0707 0.0139 -0.0367 45 SER C CA 3269 C C . SER C 47 ? 0.3118 0.4277 0.2321 -0.0640 0.0034 -0.0194 45 SER C C 3270 O O . SER C 47 ? 0.3178 0.4688 0.2374 -0.0750 -0.0048 -0.0111 45 SER C O 3271 C CB . SER C 47 ? 0.3418 0.4540 0.2363 -0.0737 0.0102 -0.0279 45 SER C CB 3272 O OG . SER C 47 ? 0.3892 0.4920 0.2989 -0.0559 0.0059 -0.0107 45 SER C OG 3273 N N . LEU C 48 ? 0.2909 0.3875 0.2273 -0.0476 0.0047 -0.0143 46 LEU C N 3274 C CA . LEU C 48 ? 0.2876 0.3978 0.2452 -0.0394 -0.0006 -0.0001 46 LEU C CA 3275 C C . LEU C 48 ? 0.2921 0.4054 0.2669 -0.0268 -0.0035 0.0185 46 LEU C C 3276 O O . LEU C 48 ? 0.2967 0.4354 0.2906 -0.0242 -0.0094 0.0373 46 LEU C O 3277 C CB . LEU C 48 ? 0.2747 0.3635 0.2403 -0.0315 0.0059 -0.0082 46 LEU C CB 3278 C CG . LEU C 48 ? 0.2958 0.3801 0.2524 -0.0425 0.0107 -0.0225 46 LEU C CG 3279 C CD1 . LEU C 48 ? 0.2799 0.3479 0.2445 -0.0349 0.0166 -0.0255 46 LEU C CD1 3280 C CD2 . LEU C 48 ? 0.2786 0.3959 0.2361 -0.0569 0.0044 -0.0203 46 LEU C CD2 3281 N N . THR C 49 ? 0.2791 0.3677 0.2508 -0.0195 0.0015 0.0145 47 THR C N 3282 C CA . THR C 49 ? 0.2858 0.3703 0.2754 -0.0090 0.0024 0.0285 47 THR C CA 3283 C C . THR C 49 ? 0.2874 0.3500 0.2659 -0.0076 0.0071 0.0203 47 THR C C 3284 O O . THR C 49 ? 0.2897 0.3380 0.2525 -0.0108 0.0105 0.0046 47 THR C O 3285 C CB . THR C 49 ? 0.2956 0.3691 0.3110 0.0026 0.0089 0.0298 47 THR C CB 3286 O OG1 . THR C 49 ? 0.3346 0.4055 0.3750 0.0116 0.0127 0.0448 47 THR C OG1 3287 C CG2 . THR C 49 ? 0.2653 0.3126 0.2713 0.0043 0.0168 0.0100 47 THR C CG2 3288 N N . VAL C 50 ? 0.2808 0.3418 0.2710 -0.0028 0.0080 0.0326 48 VAL C N 3289 C CA . VAL C 50 ? 0.2837 0.3251 0.2683 -0.0015 0.0131 0.0253 48 VAL C CA 3290 C C . VAL C 50 ? 0.2918 0.3200 0.3027 0.0072 0.0200 0.0322 48 VAL C C 3291 O O . VAL C 50 ? 0.2702 0.3083 0.3045 0.0123 0.0201 0.0512 48 VAL C O 3292 C CB . VAL C 50 ? 0.3018 0.3539 0.2709 -0.0090 0.0102 0.0304 48 VAL C CB 3293 C CG1 . VAL C 50 ? 0.3197 0.3976 0.2992 -0.0104 0.0044 0.0553 48 VAL C CG1 3294 C CG2 . VAL C 50 ? 0.2676 0.3019 0.2353 -0.0074 0.0158 0.0245 48 VAL C CG2 3295 N N . LEU C 51 ? 0.2777 0.2856 0.2871 0.0077 0.0268 0.0170 49 LEU C N 3296 C CA . LEU C 51 ? 0.2858 0.2778 0.3180 0.0116 0.0373 0.0150 49 LEU C CA 3297 C C . LEU C 51 ? 0.2991 0.2823 0.3260 0.0074 0.0396 0.0122 49 LEU C C 3298 O O . LEU C 51 ? 0.2782 0.2629 0.2838 0.0023 0.0357 0.0021 49 LEU C O 3299 C CB . LEU C 51 ? 0.2791 0.2620 0.3083 0.0100 0.0432 -0.0045 49 LEU C CB 3300 C CG . LEU C 51 ? 0.2628 0.2546 0.2963 0.0133 0.0420 -0.0035 49 LEU C CG 3301 C CD1 . LEU C 51 ? 0.2610 0.2557 0.2702 0.0081 0.0381 -0.0167 49 LEU C CD1 3302 C CD2 . LEU C 51 ? 0.2755 0.2585 0.3381 0.0183 0.0554 -0.0063 49 LEU C CD2 3303 N N . VAL C 52 ? 0.3145 0.2887 0.3651 0.0099 0.0472 0.0224 50 VAL C N 3304 C CA . VAL C 52 ? 0.3265 0.2951 0.3749 0.0052 0.0493 0.0242 50 VAL C CA 3305 C C . VAL C 52 ? 0.3510 0.2976 0.4230 0.0028 0.0644 0.0148 50 VAL C C 3306 O O . VAL C 52 ? 0.3353 0.2766 0.4044 -0.0036 0.0670 0.0104 50 VAL C O 3307 C CB . VAL C 52 ? 0.3360 0.3196 0.3881 0.0069 0.0439 0.0505 50 VAL C CB 3308 C CG1 . VAL C 52 ? 0.3163 0.3236 0.3424 0.0038 0.0315 0.0543 50 VAL C CG1 3309 C CG2 . VAL C 52 ? 0.3349 0.3180 0.4248 0.0158 0.0500 0.0747 50 VAL C CG2 3310 N N . ASP C 53 ? 0.3667 0.3006 0.4635 0.0068 0.0761 0.0100 51 ASP C N 3311 C CA . ASP C 53 ? 0.4021 0.3123 0.5258 0.0025 0.0951 -0.0014 51 ASP C CA 3312 C C . ASP C 53 ? 0.4105 0.3157 0.5188 -0.0100 0.1016 -0.0348 51 ASP C C 3313 O O . ASP C 53 ? 0.3929 0.3120 0.4766 -0.0119 0.0926 -0.0448 51 ASP C O 3314 C CB . ASP C 53 ? 0.4230 0.3207 0.5911 0.0136 0.1098 0.0127 51 ASP C CB 3315 C CG . ASP C 53 ? 0.4906 0.3941 0.6833 0.0233 0.1073 0.0499 51 ASP C CG 3316 O OD1 . ASP C 53 ? 0.5251 0.4335 0.7042 0.0183 0.1006 0.0589 51 ASP C OD1 3317 O OD2 . ASP C 53 ? 0.5484 0.4541 0.7772 0.0356 0.1131 0.0723 51 ASP C OD2 3318 N N . GLN C 54 ? 0.4282 0.3162 0.5513 -0.0205 0.1175 -0.0511 52 GLN C N 3319 C CA . GLN C 54 ? 0.4520 0.3410 0.5605 -0.0375 0.1246 -0.0833 52 GLN C CA 3320 C C . GLN C 54 ? 0.4475 0.3393 0.5533 -0.0373 0.1302 -0.0977 52 GLN C C 3321 O O . GLN C 54 ? 0.4297 0.3410 0.5051 -0.0465 0.1215 -0.1116 52 GLN C O 3322 C CB . GLN C 54 ? 0.4881 0.3541 0.6228 -0.0498 0.1467 -0.0994 52 GLN C CB 3323 C CG . GLN C 54 ? 0.5798 0.4543 0.6957 -0.0739 0.1528 -0.1337 52 GLN C CG 3324 C CD . GLN C 54 ? 0.6662 0.5670 0.7518 -0.0829 0.1334 -0.1313 52 GLN C CD 3325 O OE1 . GLN C 54 ? 0.6938 0.5971 0.7795 -0.0733 0.1223 -0.1083 52 GLN C OE1 3326 N NE2 . GLN C 54 ? 0.6969 0.6216 0.7579 -0.1021 0.1300 -0.1539 52 GLN C NE2 3327 N N . LYS C 55 ? 0.4560 0.3298 0.5971 -0.0270 0.1460 -0.0923 53 LYS C N 3328 C CA . LYS C 55 ? 0.4609 0.3367 0.6082 -0.0221 0.1528 -0.0994 53 LYS C CA 3329 C C . LYS C 55 ? 0.4436 0.3243 0.6106 -0.0012 0.1436 -0.0651 53 LYS C C 3330 O O . LYS C 55 ? 0.4721 0.3402 0.6756 0.0088 0.1516 -0.0443 53 LYS C O 3331 C CB . LYS C 55 ? 0.4953 0.3459 0.6780 -0.0283 0.1846 -0.1227 53 LYS C CB 3332 C CG . LYS C 55 ? 0.5446 0.3894 0.7143 -0.0537 0.1991 -0.1597 53 LYS C CG 3333 C CD . LYS C 55 ? 0.5980 0.4686 0.7269 -0.0700 0.1930 -0.1843 53 LYS C CD 3334 C CE . LYS C 55 ? 0.6745 0.5410 0.7994 -0.0984 0.2160 -0.2262 53 LYS C CE 3335 N NZ . LYS C 55 ? 0.6988 0.5810 0.7984 -0.1164 0.2042 -0.2331 53 LYS C NZ 3336 N N . ASP C 56 ? 0.4172 0.3191 0.5613 0.0038 0.1264 -0.0568 54 ASP C N 3337 C CA . ASP C 56 ? 0.3863 0.3014 0.5423 0.0188 0.1143 -0.0255 54 ASP C CA 3338 C C . ASP C 56 ? 0.3750 0.3044 0.5278 0.0236 0.1106 -0.0258 54 ASP C C 3339 O O . ASP C 56 ? 0.3733 0.3069 0.5008 0.0147 0.1103 -0.0475 54 ASP C O 3340 C CB . ASP C 56 ? 0.3632 0.2936 0.4896 0.0175 0.0931 -0.0110 54 ASP C CB 3341 C CG . ASP C 56 ? 0.3697 0.3129 0.5135 0.0281 0.0848 0.0225 54 ASP C CG 3342 O OD1 . ASP C 56 ? 0.3993 0.3422 0.5812 0.0384 0.0934 0.0390 54 ASP C OD1 3343 O OD2 . ASP C 56 ? 0.4176 0.3746 0.5384 0.0253 0.0703 0.0335 54 ASP C OD2 3344 N N . LYS C 57 ? 0.3615 0.3025 0.5412 0.0366 0.1073 0.0002 55 LYS C N 3345 C CA . LYS C 57 ? 0.3506 0.3101 0.5323 0.0415 0.1024 0.0049 55 LYS C CA 3346 C C . LYS C 57 ? 0.3335 0.3199 0.5196 0.0486 0.0845 0.0373 55 LYS C C 3347 O O . LYS C 57 ? 0.3355 0.3255 0.5475 0.0555 0.0845 0.0622 55 LYS C O 3348 C CB . LYS C 57 ? 0.3657 0.3153 0.5928 0.0496 0.1248 0.0019 55 LYS C CB 3349 C CG . LYS C 57 ? 0.4350 0.3608 0.6617 0.0396 0.1475 -0.0336 55 LYS C CG 3350 C CD . LYS C 57 ? 0.4827 0.4024 0.7520 0.0469 0.1710 -0.0395 55 LYS C CD 3351 C CE . LYS C 57 ? 0.5397 0.4432 0.7969 0.0313 0.1929 -0.0810 55 LYS C CE 3352 N NZ . LYS C 57 ? 0.6015 0.4752 0.8818 0.0255 0.2153 -0.0958 55 LYS C NZ 3353 N N . THR C 58 ? 0.3106 0.3183 0.4723 0.0450 0.0700 0.0375 56 THR C N 3354 C CA . THR C 58 ? 0.3153 0.3543 0.4773 0.0465 0.0534 0.0639 56 THR C CA 3355 C C . THR C 58 ? 0.3126 0.3718 0.4763 0.0462 0.0492 0.0634 56 THR C C 3356 O O . THR C 58 ? 0.2970 0.3444 0.4538 0.0441 0.0575 0.0420 56 THR C O 3357 C CB . THR C 58 ? 0.3051 0.3521 0.4238 0.0355 0.0376 0.0608 56 THR C CB 3358 O OG1 . THR C 58 ? 0.2898 0.3260 0.3765 0.0278 0.0369 0.0351 56 THR C OG1 3359 C CG2 . THR C 58 ? 0.2988 0.3322 0.4145 0.0347 0.0393 0.0654 56 THR C CG2 3360 N N . SER C 59 ? 0.3228 0.4166 0.4958 0.0466 0.0364 0.0880 57 SER C N 3361 C CA . SER C 59 ? 0.3179 0.4366 0.4909 0.0432 0.0302 0.0884 57 SER C CA 3362 C C . SER C 59 ? 0.3148 0.4735 0.4734 0.0333 0.0110 0.1064 57 SER C C 3363 O O . SER C 59 ? 0.3148 0.4881 0.4716 0.0314 0.0030 0.1249 57 SER C O 3364 C CB . SER C 59 ? 0.3197 0.4455 0.5427 0.0561 0.0424 0.1004 57 SER C CB 3365 O OG . SER C 59 ? 0.3607 0.5023 0.6250 0.0670 0.0429 0.1336 57 SER C OG 3366 N N . ASN C 60 ? 0.3018 0.4801 0.4493 0.0246 0.0046 0.0996 58 ASN C N 3367 C CA . ASN C 60 ? 0.3031 0.5181 0.4287 0.0087 -0.0114 0.1063 58 ASN C CA 3368 C C . ASN C 60 ? 0.2832 0.5152 0.4142 0.0033 -0.0123 0.0995 58 ASN C C 3369 O O . ASN C 60 ? 0.2747 0.4868 0.3787 -0.0051 -0.0089 0.0741 58 ASN C O 3370 C CB . ASN C 60 ? 0.3014 0.4971 0.3794 -0.0050 -0.0142 0.0832 58 ASN C CB 3371 C CG . ASN C 60 ? 0.3515 0.5833 0.4039 -0.0261 -0.0267 0.0825 58 ASN C CG 3372 O OD1 . ASN C 60 ? 0.3722 0.6485 0.4394 -0.0324 -0.0362 0.1004 58 ASN C OD1 3373 N ND2 . ASN C 60 ? 0.3452 0.5601 0.3613 -0.0385 -0.0253 0.0611 58 ASN C ND2 3374 N N . GLY C 61 ? 0.2664 0.5350 0.4359 0.0090 -0.0156 0.1242 59 GLY C N 3375 C CA . GLY C 61 ? 0.2780 0.5666 0.4592 0.0047 -0.0155 0.1203 59 GLY C CA 3376 C C . GLY C 61 ? 0.2763 0.5246 0.4621 0.0139 0.0020 0.0976 59 GLY C C 3377 O O . GLY C 61 ? 0.2807 0.5056 0.4921 0.0297 0.0159 0.0992 59 GLY C O 3378 N N . ARG C 62 ? 0.2755 0.5157 0.4350 0.0019 0.0028 0.0755 60 ARG C N 3379 C CA . ARG C 62 ? 0.2698 0.4814 0.4303 0.0069 0.0179 0.0564 60 ARG C CA 3380 C C . ARG C 62 ? 0.2679 0.4354 0.3987 0.0085 0.0252 0.0367 60 ARG C C 3381 O O . ARG C 62 ? 0.2705 0.4160 0.3964 0.0107 0.0372 0.0210 60 ARG C O 3382 C CB . ARG C 62 ? 0.2663 0.4921 0.4153 -0.0071 0.0156 0.0460 60 ARG C CB 3383 C CG . ARG C 62 ? 0.2809 0.5574 0.4639 -0.0101 0.0085 0.0657 60 ARG C CG 3384 C CD . ARG C 62 ? 0.3330 0.6316 0.4957 -0.0329 0.0003 0.0558 60 ARG C CD 3385 N NE . ARG C 62 ? 0.4175 0.6754 0.5501 -0.0381 0.0101 0.0310 60 ARG C NE 3386 C CZ . ARG C 62 ? 0.4438 0.6776 0.5405 -0.0492 0.0088 0.0153 60 ARG C CZ 3387 N NH1 . ARG C 62 ? 0.4484 0.6946 0.5274 -0.0616 -0.0011 0.0152 60 ARG C NH1 3388 N NH2 . ARG C 62 ? 0.5002 0.6995 0.5806 -0.0487 0.0194 0.0001 60 ARG C NH2 3389 N N . TYR C 63 ? 0.2605 0.4202 0.3720 0.0061 0.0178 0.0388 62 TYR C N 3390 C CA . TYR C 63 ? 0.2695 0.3933 0.3567 0.0076 0.0232 0.0236 62 TYR C CA 3391 C C . TYR C 63 ? 0.2662 0.3761 0.3751 0.0202 0.0312 0.0301 62 TYR C C 3392 O O . TYR C 63 ? 0.2694 0.3954 0.3998 0.0255 0.0268 0.0505 62 TYR C O 3393 C CB . TYR C 63 ? 0.2687 0.3895 0.3239 -0.0027 0.0136 0.0197 62 TYR C CB 3394 C CG . TYR C 63 ? 0.3301 0.4604 0.3657 -0.0176 0.0090 0.0106 62 TYR C CG 3395 C CD1 . TYR C 63 ? 0.3552 0.5128 0.3828 -0.0308 -0.0009 0.0158 62 TYR C CD1 3396 C CD2 . TYR C 63 ? 0.3809 0.4949 0.4071 -0.0206 0.0161 -0.0030 62 TYR C CD2 3397 C CE1 . TYR C 63 ? 0.3968 0.5599 0.4085 -0.0473 -0.0012 0.0028 62 TYR C CE1 3398 C CE2 . TYR C 63 ? 0.4184 0.5367 0.4322 -0.0343 0.0152 -0.0113 62 TYR C CE2 3399 C CZ . TYR C 63 ? 0.4089 0.5491 0.4161 -0.0478 0.0078 -0.0105 62 TYR C CZ 3400 O OH . TYR C 63 ? 0.4898 0.6300 0.4868 -0.0635 0.0109 -0.0231 62 TYR C OH 3401 N N . SER C 64 ? 0.2704 0.3530 0.3744 0.0231 0.0437 0.0135 63 SER C N 3402 C CA . SER C 64 ? 0.2806 0.3435 0.3970 0.0300 0.0528 0.0125 63 SER C CA 3403 C C . SER C 64 ? 0.2853 0.3253 0.3700 0.0233 0.0553 -0.0071 63 SER C C 3404 O O . SER C 64 ? 0.2954 0.3336 0.3549 0.0160 0.0535 -0.0193 63 SER C O 3405 C CB . SER C 64 ? 0.2885 0.3460 0.4468 0.0402 0.0711 0.0131 63 SER C CB 3406 O OG . SER C 64 ? 0.2880 0.3491 0.4475 0.0377 0.0797 0.0001 63 SER C OG 3407 N N . ALA C 65 ? 0.2831 0.3085 0.3714 0.0254 0.0590 -0.0075 64 ALA C N 3408 C CA . ALA C 65 ? 0.2743 0.2854 0.3350 0.0182 0.0589 -0.0226 64 ALA C CA 3409 C C . ALA C 65 ? 0.2833 0.2770 0.3602 0.0194 0.0723 -0.0304 64 ALA C C 3410 O O . ALA C 65 ? 0.2770 0.2671 0.3854 0.0275 0.0785 -0.0181 64 ALA C O 3411 C CB . ALA C 65 ? 0.2507 0.2660 0.2879 0.0147 0.0443 -0.0151 64 ALA C CB 3412 N N . THR C 66 ? 0.2900 0.2753 0.3473 0.0102 0.0772 -0.0496 65 THR C N 3413 C CA . THR C 66 ? 0.3155 0.2849 0.3830 0.0060 0.0903 -0.0622 65 THR C CA 3414 C C . THR C 66 ? 0.3152 0.2856 0.3546 -0.0023 0.0804 -0.0661 65 THR C C 3415 O O . THR C 66 ? 0.3033 0.2855 0.3167 -0.0060 0.0686 -0.0649 65 THR C O 3416 C CB . THR C 66 ? 0.3375 0.3034 0.4065 -0.0028 0.1078 -0.0864 65 THR C CB 3417 O OG1 . THR C 66 ? 0.3521 0.3335 0.3848 -0.0133 0.0986 -0.0946 65 THR C OG1 3418 C CG2 . THR C 66 ? 0.2968 0.2636 0.3963 0.0058 0.1203 -0.0840 65 THR C CG2 3419 N N . LEU C 67 ? 0.3267 0.2849 0.3755 -0.0052 0.0867 -0.0699 66 LEU C N 3420 C CA . LEU C 67 ? 0.3210 0.2834 0.3472 -0.0148 0.0796 -0.0758 66 LEU C CA 3421 C C . LEU C 67 ? 0.3563 0.3075 0.3925 -0.0260 0.0955 -0.0956 66 LEU C C 3422 O O . LEU C 67 ? 0.3623 0.2942 0.4295 -0.0218 0.1102 -0.0954 66 LEU C O 3423 C CB . LEU C 67 ? 0.3105 0.2722 0.3362 -0.0086 0.0686 -0.0574 66 LEU C CB 3424 C CG . LEU C 67 ? 0.2980 0.2625 0.3102 -0.0165 0.0641 -0.0611 66 LEU C CG 3425 C CD1 . LEU C 67 ? 0.3000 0.2828 0.2864 -0.0226 0.0544 -0.0656 66 LEU C CD1 3426 C CD2 . LEU C 67 ? 0.2420 0.2050 0.2573 -0.0102 0.0572 -0.0435 66 LEU C CD2 3427 N N . ASP C 68 ? 0.3650 0.3301 0.3776 -0.0415 0.0937 -0.1116 67 ASP C N 3428 C CA . ASP C 68 ? 0.3842 0.3450 0.3999 -0.0584 0.1073 -0.1342 67 ASP C CA 3429 C C . ASP C 68 ? 0.3750 0.3540 0.3703 -0.0666 0.0930 -0.1303 67 ASP C C 3430 O O . ASP C 68 ? 0.3701 0.3758 0.3414 -0.0742 0.0822 -0.1307 67 ASP C O 3431 C CB . ASP C 68 ? 0.4102 0.3812 0.4158 -0.0744 0.1201 -0.1601 67 ASP C CB 3432 C CG . ASP C 68 ? 0.4713 0.4409 0.4776 -0.0974 0.1364 -0.1891 67 ASP C CG 3433 O OD1 . ASP C 68 ? 0.4843 0.4510 0.4936 -0.1024 0.1335 -0.1877 67 ASP C OD1 3434 O OD2 . ASP C 68 ? 0.5793 0.5505 0.5845 -0.1124 0.1545 -0.2155 67 ASP C OD2 3435 N N . LYS C 69 ? 0.3792 0.3462 0.3874 -0.0645 0.0934 -0.1238 68 LYS C N 3436 C CA . LYS C 69 ? 0.3697 0.3535 0.3648 -0.0711 0.0816 -0.1190 68 LYS C CA 3437 C C . LYS C 69 ? 0.4138 0.4184 0.3967 -0.0953 0.0855 -0.1413 68 LYS C C 3438 O O . LYS C 69 ? 0.4207 0.4538 0.3882 -0.1014 0.0719 -0.1349 68 LYS C O 3439 C CB . LYS C 69 ? 0.3642 0.3303 0.3771 -0.0638 0.0830 -0.1064 68 LYS C CB 3440 C CG . LYS C 69 ? 0.3140 0.2736 0.3307 -0.0443 0.0739 -0.0812 68 LYS C CG 3441 C CD . LYS C 69 ? 0.3211 0.2761 0.3451 -0.0412 0.0712 -0.0672 68 LYS C CD 3442 C CE . LYS C 69 ? 0.3006 0.2522 0.3281 -0.0261 0.0649 -0.0444 68 LYS C CE 3443 N NZ . LYS C 69 ? 0.2917 0.2425 0.3236 -0.0244 0.0630 -0.0293 68 LYS C NZ 3444 N N . ASP C 70 ? 0.4549 0.4483 0.4467 -0.1103 0.1050 -0.1674 69 ASP C N 3445 C CA . ASP C 70 ? 0.4965 0.5155 0.4727 -0.1388 0.1098 -0.1931 69 ASP C CA 3446 C C . ASP C 70 ? 0.4861 0.5460 0.4320 -0.1457 0.0954 -0.1896 69 ASP C C 3447 O O . ASP C 70 ? 0.4939 0.5926 0.4222 -0.1611 0.0834 -0.1887 69 ASP C O 3448 C CB . ASP C 70 ? 0.5458 0.5429 0.5370 -0.1552 0.1382 -0.2265 69 ASP C CB 3449 C CG . ASP C 70 ? 0.6143 0.5719 0.6406 -0.1515 0.1559 -0.2298 69 ASP C CG 3450 O OD1 . ASP C 70 ? 0.7144 0.6432 0.7653 -0.1563 0.1827 -0.2508 69 ASP C OD1 3451 O OD2 . ASP C 70 ? 0.6496 0.6046 0.6822 -0.1445 0.1457 -0.2115 69 ASP C OD2 3452 N N . ALA C 71 ? 0.4633 0.5174 0.4061 -0.1341 0.0963 -0.1846 70 ALA C N 3453 C CA . ALA C 71 ? 0.4501 0.5408 0.3672 -0.1382 0.0832 -0.1760 70 ALA C CA 3454 C C . ALA C 71 ? 0.4092 0.5090 0.3233 -0.1173 0.0621 -0.1416 70 ALA C C 3455 O O . ALA C 71 ? 0.4075 0.5362 0.3059 -0.1185 0.0513 -0.1289 70 ALA C O 3456 C CB . ALA C 71 ? 0.4489 0.5325 0.3635 -0.1396 0.0966 -0.1897 70 ALA C CB 3457 N N . LYS C 72 ? 0.3847 0.4602 0.3150 -0.0994 0.0583 -0.1268 71 LYS C N 3458 C CA . LYS C 72 ? 0.3579 0.4366 0.2879 -0.0811 0.0436 -0.0996 71 LYS C CA 3459 C C . LYS C 72 ? 0.3567 0.4374 0.2796 -0.0728 0.0413 -0.0914 71 LYS C C 3460 O O . LYS C 72 ? 0.3330 0.4366 0.2468 -0.0710 0.0312 -0.0755 71 LYS C O 3461 C CB . LYS C 72 ? 0.3565 0.4669 0.2816 -0.0858 0.0308 -0.0862 71 LYS C CB 3462 C CG . LYS C 72 ? 0.3691 0.4830 0.3009 -0.0976 0.0333 -0.0961 71 LYS C CG 3463 C CD . LYS C 72 ? 0.3777 0.5123 0.3155 -0.0923 0.0214 -0.0760 71 LYS C CD 3464 C CE . LYS C 72 ? 0.3802 0.5072 0.3288 -0.0995 0.0260 -0.0845 71 LYS C CE 3465 N NZ . LYS C 72 ? 0.4095 0.5407 0.3697 -0.0869 0.0188 -0.0646 71 LYS C NZ 3466 N N . HIS C 73 ? 0.3572 0.4131 0.2888 -0.0669 0.0518 -0.1000 72 HIS C N 3467 C CA . HIS C 73 ? 0.3591 0.4164 0.2862 -0.0625 0.0533 -0.0976 72 HIS C CA 3468 C C . HIS C 73 ? 0.3498 0.3794 0.2948 -0.0467 0.0580 -0.0928 72 HIS C C 3469 O O . HIS C 73 ? 0.3592 0.3692 0.3222 -0.0446 0.0685 -0.1008 72 HIS C O 3470 C CB . HIS C 73 ? 0.3856 0.4560 0.3031 -0.0805 0.0653 -0.1200 72 HIS C CB 3471 C CG . HIS C 73 ? 0.4091 0.4823 0.3224 -0.0779 0.0694 -0.1197 72 HIS C CG 3472 N ND1 . HIS C 73 ? 0.4523 0.5097 0.3777 -0.0789 0.0867 -0.1372 72 HIS C ND1 3473 C CD2 . HIS C 73 ? 0.4221 0.5113 0.3244 -0.0738 0.0600 -0.1030 72 HIS C CD2 3474 C CE1 . HIS C 73 ? 0.4738 0.5399 0.3932 -0.0762 0.0866 -0.1319 72 HIS C CE1 3475 N NE2 . HIS C 73 ? 0.4581 0.5427 0.3627 -0.0736 0.0704 -0.1112 72 HIS C NE2 3476 N N . SER C 74 ? 0.3296 0.3600 0.2724 -0.0365 0.0508 -0.0783 73 SER C N 3477 C CA . SER C 74 ? 0.3303 0.3446 0.2881 -0.0249 0.0534 -0.0729 73 SER C CA 3478 C C . SER C 74 ? 0.3244 0.3458 0.2785 -0.0237 0.0544 -0.0711 73 SER C C 3479 O O . SER C 74 ? 0.3207 0.3565 0.2601 -0.0276 0.0490 -0.0657 73 SER C O 3480 C CB . SER C 74 ? 0.3200 0.3280 0.2802 -0.0156 0.0439 -0.0577 73 SER C CB 3481 O OG . SER C 74 ? 0.3669 0.3666 0.3412 -0.0073 0.0448 -0.0510 73 SER C OG 3482 N N . THR C 75 ? 0.3229 0.3361 0.2940 -0.0178 0.0615 -0.0725 74 THR C N 3483 C CA . THR C 75 ? 0.3230 0.3432 0.2938 -0.0159 0.0618 -0.0688 74 THR C CA 3484 C C . THR C 75 ? 0.3120 0.3279 0.2981 -0.0059 0.0569 -0.0560 74 THR C C 3485 O O . THR C 75 ? 0.3083 0.3173 0.3116 0.0000 0.0580 -0.0516 74 THR C O 3486 C CB . THR C 75 ? 0.3489 0.3714 0.3284 -0.0204 0.0769 -0.0833 74 THR C CB 3487 O OG1 . THR C 75 ? 0.4008 0.4093 0.4094 -0.0132 0.0870 -0.0858 74 THR C OG1 3488 C CG2 . THR C 75 ? 0.3634 0.3967 0.3242 -0.0359 0.0835 -0.1000 74 THR C CG2 3489 N N . LEU C 76 ? 0.2953 0.3182 0.2756 -0.0058 0.0516 -0.0491 75 LEU C N 3490 C CA . LEU C 76 ? 0.2903 0.3172 0.2837 -0.0011 0.0478 -0.0400 75 LEU C CA 3491 C C . LEU C 76 ? 0.2873 0.3234 0.2899 -0.0022 0.0544 -0.0425 75 LEU C C 3492 O O . LEU C 76 ? 0.2829 0.3231 0.2723 -0.0077 0.0558 -0.0450 75 LEU C O 3493 C CB . LEU C 76 ? 0.2779 0.3050 0.2586 -0.0034 0.0384 -0.0333 75 LEU C CB 3494 C CG . LEU C 76 ? 0.2990 0.3359 0.2866 -0.0049 0.0336 -0.0269 75 LEU C CG 3495 C CD1 . LEU C 76 ? 0.2692 0.3133 0.2689 -0.0014 0.0289 -0.0184 75 LEU C CD1 3496 C CD2 . LEU C 76 ? 0.2308 0.2639 0.2043 -0.0114 0.0306 -0.0277 75 LEU C CD2 3497 N N . HIS C 77 ? 0.2776 0.3189 0.3060 0.0036 0.0592 -0.0390 76 HIS C N 3498 C CA A HIS C 77 ? 0.2771 0.3290 0.3208 0.0040 0.0671 -0.0407 76 HIS C CA 3499 C CA B HIS C 77 ? 0.2809 0.3330 0.3251 0.0041 0.0672 -0.0406 76 HIS C CA 3500 C C . HIS C 77 ? 0.2804 0.3484 0.3338 0.0044 0.0574 -0.0274 76 HIS C C 3501 O O . HIS C 77 ? 0.2748 0.3497 0.3384 0.0079 0.0493 -0.0156 76 HIS C O 3502 C CB A HIS C 77 ? 0.2773 0.3257 0.3514 0.0108 0.0823 -0.0453 76 HIS C CB 3503 C CB B HIS C 77 ? 0.2844 0.3336 0.3599 0.0110 0.0826 -0.0450 76 HIS C CB 3504 C CG A HIS C 77 ? 0.2776 0.3117 0.3423 0.0058 0.0945 -0.0635 76 HIS C CG 3505 C CG B HIS C 77 ? 0.2929 0.3523 0.3861 0.0112 0.0954 -0.0503 76 HIS C CG 3506 N ND1 A HIS C 77 ? 0.2880 0.3218 0.3608 0.0016 0.1132 -0.0804 76 HIS C ND1 3507 N ND1 B HIS C 77 ? 0.2927 0.3698 0.4146 0.0173 0.0940 -0.0368 76 HIS C ND1 3508 C CD2 A HIS C 77 ? 0.2393 0.2621 0.2881 0.0020 0.0918 -0.0690 76 HIS C CD2 3509 C CD2 B HIS C 77 ? 0.2867 0.3451 0.3732 0.0045 0.1104 -0.0677 76 HIS C CD2 3510 C CE1 A HIS C 77 ? 0.2512 0.2752 0.3108 -0.0066 0.1213 -0.0972 76 HIS C CE1 3511 C CE1 B HIS C 77 ? 0.2529 0.3366 0.3874 0.0161 0.1085 -0.0457 76 HIS C CE1 3512 N NE2 A HIS C 77 ? 0.2552 0.2731 0.3009 -0.0061 0.1076 -0.0895 76 HIS C NE2 3513 N NE2 B HIS C 77 ? 0.2993 0.3713 0.4112 0.0079 0.1192 -0.0653 76 HIS C NE2 3514 N N . ILE C 78 ? 0.2873 0.3644 0.3360 -0.0013 0.0582 -0.0290 77 ILE C N 3515 C CA . ILE C 78 ? 0.2907 0.3867 0.3496 -0.0047 0.0508 -0.0198 77 ILE C CA 3516 C C . ILE C 78 ? 0.3063 0.4166 0.3910 -0.0015 0.0609 -0.0195 77 ILE C C 3517 O O . ILE C 78 ? 0.3189 0.4250 0.3961 -0.0051 0.0706 -0.0290 77 ILE C O 3518 C CB . ILE C 78 ? 0.2974 0.3902 0.3340 -0.0156 0.0462 -0.0231 77 ILE C CB 3519 C CG1 . ILE C 78 ? 0.3133 0.3902 0.3290 -0.0173 0.0401 -0.0245 77 ILE C CG1 3520 C CG2 . ILE C 78 ? 0.2868 0.4029 0.3348 -0.0236 0.0401 -0.0173 77 ILE C CG2 3521 C CD1 . ILE C 78 ? 0.3150 0.3798 0.3132 -0.0250 0.0411 -0.0283 77 ILE C CD1 3522 N N . THR C 79 ? 0.2948 0.4242 0.4125 0.0056 0.0599 -0.0069 78 THR C N 3523 C CA . THR C 79 ? 0.2900 0.4366 0.4404 0.0101 0.0706 -0.0041 78 THR C CA 3524 C C . THR C 79 ? 0.2804 0.4539 0.4335 0.0004 0.0620 0.0024 78 THR C C 3525 O O . THR C 79 ? 0.2693 0.4587 0.4164 -0.0063 0.0472 0.0116 78 THR C O 3526 C CB . THR C 79 ? 0.2981 0.4558 0.4931 0.0244 0.0754 0.0112 78 THR C CB 3527 O OG1 . THR C 79 ? 0.3320 0.4618 0.5270 0.0312 0.0865 0.0021 78 THR C OG1 3528 C CG2 . THR C 79 ? 0.2859 0.4629 0.5225 0.0308 0.0893 0.0151 78 THR C CG2 3529 N N . ALA C 80 ? 0.2781 0.4583 0.4397 -0.0022 0.0727 -0.0036 79 ALA C N 3530 C CA . ALA C 80 ? 0.2860 0.4927 0.4550 -0.0124 0.0673 0.0013 79 ALA C CA 3531 C C . ALA C 80 ? 0.2801 0.4833 0.4169 -0.0280 0.0537 -0.0015 79 ALA C C 3532 O O . ALA C 80 ? 0.2906 0.5169 0.4319 -0.0348 0.0409 0.0070 79 ALA C O 3533 C CB . ALA C 80 ? 0.2569 0.5024 0.4717 -0.0055 0.0634 0.0210 79 ALA C CB 3534 N N . THR C 81 ? 0.2830 0.4596 0.3897 -0.0343 0.0580 -0.0132 80 THR C N 3535 C CA . THR C 81 ? 0.2930 0.4587 0.3748 -0.0471 0.0507 -0.0177 80 THR C CA 3536 C C . THR C 81 ? 0.3006 0.4910 0.3911 -0.0629 0.0463 -0.0171 80 THR C C 3537 O O . THR C 81 ? 0.3029 0.5118 0.4118 -0.0658 0.0513 -0.0149 80 THR C O 3538 C CB . THR C 81 ? 0.2996 0.4367 0.3582 -0.0500 0.0589 -0.0248 80 THR C CB 3539 O OG1 . THR C 81 ? 0.2858 0.4295 0.3522 -0.0520 0.0695 -0.0254 80 THR C OG1 3540 C CG2 . THR C 81 ? 0.2925 0.4088 0.3365 -0.0394 0.0600 -0.0266 80 THR C CG2 3541 N N . LEU C 82 ? 0.3155 0.5073 0.3924 -0.0751 0.0381 -0.0209 81 LEU C N 3542 C CA . LEU C 82 ? 0.3313 0.5430 0.4101 -0.0962 0.0358 -0.0265 81 LEU C CA 3543 C C . LEU C 82 ? 0.3442 0.5218 0.4010 -0.1076 0.0437 -0.0405 81 LEU C C 3544 O O . LEU C 82 ? 0.3270 0.4739 0.3680 -0.0990 0.0465 -0.0426 81 LEU C O 3545 C CB . LEU C 82 ? 0.3411 0.5903 0.4241 -0.1056 0.0215 -0.0210 81 LEU C CB 3546 C CG . LEU C 82 ? 0.3636 0.6502 0.4769 -0.0922 0.0137 -0.0005 81 LEU C CG 3547 C CD1 . LEU C 82 ? 0.3993 0.7191 0.5110 -0.0987 -0.0016 0.0100 81 LEU C CD1 3548 C CD2 . LEU C 82 ? 0.3521 0.6718 0.4941 -0.0972 0.0159 0.0053 81 LEU C CD2 3549 N N . LEU C 83 ? 0.3621 0.5459 0.4224 -0.1270 0.0489 -0.0492 82 LEU C N 3550 C CA . LEU C 83 ? 0.3933 0.5484 0.4415 -0.1423 0.0593 -0.0638 82 LEU C CA 3551 C C . LEU C 83 ? 0.4043 0.5428 0.4345 -0.1438 0.0576 -0.0723 82 LEU C C 3552 O O . LEU C 83 ? 0.4200 0.5204 0.4432 -0.1401 0.0686 -0.0768 82 LEU C O 3553 C CB . LEU C 83 ? 0.4122 0.5908 0.4687 -0.1689 0.0615 -0.0752 82 LEU C CB 3554 C CG . LEU C 83 ? 0.4691 0.6143 0.5283 -0.1811 0.0800 -0.0856 82 LEU C CG 3555 C CD1 . LEU C 83 ? 0.4942 0.6255 0.5623 -0.1636 0.0864 -0.0699 82 LEU C CD1 3556 C CD2 . LEU C 83 ? 0.4852 0.6558 0.5540 -0.2112 0.0834 -0.1000 82 LEU C CD2 3557 N N . ASP C 84 ? 0.3991 0.5685 0.4240 -0.1499 0.0447 -0.0727 83 ASP C N 3558 C CA . ASP C 84 ? 0.4068 0.5651 0.4131 -0.1531 0.0434 -0.0811 83 ASP C CA 3559 C C . ASP C 84 ? 0.3831 0.5137 0.3832 -0.1283 0.0428 -0.0713 83 ASP C C 3560 O O . ASP C 84 ? 0.3789 0.4987 0.3651 -0.1288 0.0427 -0.0771 83 ASP C O 3561 C CB . ASP C 84 ? 0.4273 0.6337 0.4282 -0.1671 0.0283 -0.0797 83 ASP C CB 3562 C CG . ASP C 84 ? 0.5176 0.7532 0.5159 -0.2009 0.0301 -0.0972 83 ASP C CG 3563 O OD1 . ASP C 84 ? 0.5677 0.7926 0.5757 -0.2120 0.0413 -0.1072 83 ASP C OD1 3564 O OD2 . ASP C 84 ? 0.6201 0.8936 0.6062 -0.2189 0.0203 -0.1010 83 ASP C OD2 3565 N N . ASP C 85 ? 0.3442 0.4659 0.3536 -0.1089 0.0432 -0.0582 84 ASP C N 3566 C CA . ASP C 85 ? 0.3255 0.4238 0.3280 -0.0894 0.0434 -0.0514 84 ASP C CA 3567 C C . ASP C 85 ? 0.3247 0.3865 0.3219 -0.0869 0.0558 -0.0548 84 ASP C C 3568 O O . ASP C 85 ? 0.3236 0.3688 0.3143 -0.0743 0.0558 -0.0501 84 ASP C O 3569 C CB . ASP C 85 ? 0.3128 0.4194 0.3261 -0.0728 0.0406 -0.0391 84 ASP C CB 3570 C CG . ASP C 85 ? 0.3362 0.4754 0.3631 -0.0689 0.0301 -0.0300 84 ASP C CG 3571 O OD1 . ASP C 85 ? 0.3900 0.5470 0.4135 -0.0754 0.0213 -0.0284 84 ASP C OD1 3572 O OD2 . ASP C 85 ? 0.3672 0.5167 0.4110 -0.0592 0.0318 -0.0226 84 ASP C OD2 3573 N N . THR C 86 ? 0.3315 0.3831 0.3352 -0.0987 0.0667 -0.0605 85 THR C N 3574 C CA . THR C 86 ? 0.3342 0.3521 0.3409 -0.0972 0.0809 -0.0599 85 THR C CA 3575 C C . THR C 86 ? 0.3434 0.3432 0.3433 -0.0972 0.0846 -0.0682 85 THR C C 3576 O O . THR C 86 ? 0.3534 0.3585 0.3486 -0.1131 0.0866 -0.0847 85 THR C O 3577 C CB . THR C 86 ? 0.3629 0.3738 0.3823 -0.1143 0.0941 -0.0673 85 THR C CB 3578 O OG1 . THR C 86 ? 0.3583 0.3871 0.3846 -0.1131 0.0914 -0.0581 85 THR C OG1 3579 C CG2 . THR C 86 ? 0.3545 0.3288 0.3858 -0.1125 0.1121 -0.0633 85 THR C CG2 3580 N N . ALA C 87 ? 0.3191 0.3020 0.3182 -0.0813 0.0858 -0.0573 86 ALA C N 3581 C CA . ALA C 87 ? 0.3197 0.2883 0.3146 -0.0787 0.0890 -0.0632 86 ALA C CA 3582 C C . ALA C 87 ? 0.3211 0.2818 0.3167 -0.0600 0.0862 -0.0464 86 ALA C C 3583 O O . ALA C 87 ? 0.3231 0.2913 0.3193 -0.0516 0.0818 -0.0320 86 ALA C O 3584 C CB . ALA C 87 ? 0.3049 0.2954 0.2848 -0.0843 0.0771 -0.0728 86 ALA C CB 3585 N N . THR C 88 ? 0.3177 0.2672 0.3127 -0.0556 0.0893 -0.0491 87 THR C N 3586 C CA . THR C 88 ? 0.3202 0.2682 0.3159 -0.0401 0.0850 -0.0343 87 THR C CA 3587 C C . THR C 88 ? 0.2958 0.2591 0.2750 -0.0372 0.0714 -0.0390 87 THR C C 3588 O O . THR C 88 ? 0.3114 0.2768 0.2836 -0.0453 0.0713 -0.0521 87 THR C O 3589 C CB . THR C 88 ? 0.3267 0.2522 0.3397 -0.0365 0.1000 -0.0325 87 THR C CB 3590 O OG1 . THR C 88 ? 0.3674 0.2770 0.4018 -0.0379 0.1145 -0.0244 87 THR C OG1 3591 C CG2 . THR C 88 ? 0.3412 0.2715 0.3568 -0.0216 0.0943 -0.0162 87 THR C CG2 3592 N N . TYR C 89 ? 0.2844 0.2594 0.2579 -0.0278 0.0615 -0.0287 88 TYR C N 3593 C CA . TYR C 89 ? 0.2617 0.2478 0.2247 -0.0243 0.0511 -0.0313 88 TYR C CA 3594 C C . TYR C 89 ? 0.2720 0.2535 0.2357 -0.0160 0.0508 -0.0246 88 TYR C C 3595 O O . TYR C 89 ? 0.2748 0.2590 0.2423 -0.0108 0.0510 -0.0134 88 TYR C O 3596 C CB . TYR C 89 ? 0.2395 0.2408 0.1995 -0.0219 0.0437 -0.0288 88 TYR C CB 3597 C CG . TYR C 89 ? 0.2712 0.2820 0.2348 -0.0295 0.0433 -0.0335 88 TYR C CG 3598 C CD1 . TYR C 89 ? 0.2446 0.2539 0.2139 -0.0345 0.0494 -0.0324 88 TYR C CD1 3599 C CD2 . TYR C 89 ? 0.2547 0.2792 0.2178 -0.0332 0.0369 -0.0368 88 TYR C CD2 3600 C CE1 . TYR C 89 ? 0.2923 0.3135 0.2665 -0.0437 0.0491 -0.0374 88 TYR C CE1 3601 C CE2 . TYR C 89 ? 0.2767 0.3171 0.2453 -0.0415 0.0352 -0.0387 88 TYR C CE2 3602 C CZ . TYR C 89 ? 0.2900 0.3287 0.2640 -0.0473 0.0413 -0.0405 88 TYR C CZ 3603 O OH . TYR C 89 ? 0.2968 0.3552 0.2775 -0.0576 0.0391 -0.0430 88 TYR C OH 3604 N N . ILE C 90 ? 0.2837 0.2630 0.2435 -0.0163 0.0498 -0.0304 89 ILE C N 3605 C CA . ILE C 90 ? 0.2810 0.2569 0.2445 -0.0097 0.0510 -0.0252 89 ILE C CA 3606 C C . ILE C 90 ? 0.2916 0.2772 0.2462 -0.0074 0.0417 -0.0260 89 ILE C C 3607 O O . ILE C 90 ? 0.2910 0.2807 0.2389 -0.0114 0.0381 -0.0319 89 ILE C O 3608 C CB . ILE C 90 ? 0.2962 0.2583 0.2670 -0.0128 0.0629 -0.0329 89 ILE C CB 3609 C CG1 . ILE C 90 ? 0.2980 0.2451 0.2855 -0.0141 0.0765 -0.0313 89 ILE C CG1 3610 C CG2 . ILE C 90 ? 0.2692 0.2314 0.2461 -0.0054 0.0638 -0.0273 89 ILE C CG2 3611 C CD1 . ILE C 90 ? 0.3296 0.2591 0.3256 -0.0220 0.0938 -0.0467 89 ILE C CD1 3612 N N . CYS C 91 ? 0.2800 0.2718 0.2362 -0.0023 0.0384 -0.0185 90 CYS C N 3613 C CA . CYS C 91 ? 0.3062 0.3042 0.2575 -0.0015 0.0327 -0.0203 90 CYS C CA 3614 C C . CYS C 91 ? 0.2984 0.2937 0.2539 0.0004 0.0352 -0.0190 90 CYS C C 3615 O O . CYS C 91 ? 0.2964 0.2913 0.2625 0.0041 0.0399 -0.0118 90 CYS C O 3616 C CB . CYS C 91 ? 0.3167 0.3269 0.2663 -0.0016 0.0293 -0.0160 90 CYS C CB 3617 S SG . CYS C 91 ? 0.4469 0.4620 0.3929 -0.0041 0.0260 -0.0225 90 CYS C SG 3618 N N . VAL C 92 ? 0.2921 0.2872 0.2429 -0.0012 0.0332 -0.0234 91 VAL C N 3619 C CA . VAL C 92 ? 0.3018 0.2959 0.2562 -0.0002 0.0368 -0.0231 91 VAL C CA 3620 C C . VAL C 92 ? 0.2968 0.2964 0.2489 -0.0011 0.0319 -0.0226 91 VAL C C 3621 O O . VAL C 92 ? 0.2977 0.2968 0.2455 -0.0032 0.0287 -0.0239 91 VAL C O 3622 C CB . VAL C 92 ? 0.3042 0.2919 0.2547 -0.0051 0.0438 -0.0308 91 VAL C CB 3623 C CG1 . VAL C 92 ? 0.2948 0.2816 0.2508 -0.0044 0.0510 -0.0321 91 VAL C CG1 3624 C CG2 . VAL C 92 ? 0.2998 0.2791 0.2547 -0.0069 0.0513 -0.0346 91 VAL C CG2 3625 N N . VAL C 93 ? 0.2774 0.2835 0.2362 0.0003 0.0319 -0.0188 92 VAL C N 3626 C CA . VAL C 93 ? 0.2711 0.2814 0.2297 -0.0026 0.0291 -0.0199 92 VAL C CA 3627 C C . VAL C 93 ? 0.2735 0.2836 0.2350 -0.0029 0.0334 -0.0191 92 VAL C C 3628 O O . VAL C 93 ? 0.2791 0.2933 0.2499 0.0001 0.0380 -0.0162 92 VAL C O 3629 C CB . VAL C 93 ? 0.2791 0.3034 0.2414 -0.0055 0.0253 -0.0184 92 VAL C CB 3630 C CG1 . VAL C 93 ? 0.2627 0.2885 0.2262 -0.0118 0.0251 -0.0235 92 VAL C CG1 3631 C CG2 . VAL C 93 ? 0.2429 0.2705 0.1997 -0.0074 0.0230 -0.0206 92 VAL C CG2 3632 N N . GLY C 94 ? 0.2704 0.2771 0.2270 -0.0061 0.0334 -0.0199 93 GLY C N 3633 C CA . GLY C 94 ? 0.2642 0.2736 0.2218 -0.0085 0.0380 -0.0188 93 GLY C CA 3634 C C . GLY C 94 ? 0.2728 0.2875 0.2387 -0.0108 0.0367 -0.0168 93 GLY C C 3635 O O . GLY C 94 ? 0.2752 0.2861 0.2428 -0.0137 0.0342 -0.0171 93 GLY C O 3636 N N . ASP C 95 ? 0.2640 0.2876 0.2387 -0.0103 0.0402 -0.0155 94 ASP C N 3637 C CA . ASP C 95 ? 0.2684 0.3016 0.2521 -0.0150 0.0385 -0.0145 94 ASP C CA 3638 C C . ASP C 95 ? 0.2760 0.3065 0.2604 -0.0203 0.0424 -0.0130 94 ASP C C 3639 O O . ASP C 95 ? 0.2893 0.3274 0.2828 -0.0259 0.0425 -0.0134 94 ASP C O 3640 C CB . ASP C 95 ? 0.2488 0.3016 0.2470 -0.0129 0.0377 -0.0099 94 ASP C CB 3641 C CG . ASP C 95 ? 0.2734 0.3289 0.2829 -0.0066 0.0467 -0.0061 94 ASP C CG 3642 O OD1 . ASP C 95 ? 0.2580 0.3055 0.2623 -0.0082 0.0541 -0.0098 94 ASP C OD1 3643 O OD2 . ASP C 95 ? 0.2740 0.3422 0.3005 -0.0004 0.0479 0.0015 94 ASP C OD2 3644 N N . ARG C 96 ? 0.2684 0.2917 0.2431 -0.0203 0.0456 -0.0104 95 ARG C N 3645 C CA . ARG C 96 ? 0.2646 0.2876 0.2385 -0.0255 0.0491 -0.0042 95 ARG C CA 3646 C C . ARG C 96 ? 0.2704 0.2894 0.2341 -0.0261 0.0471 0.0033 95 ARG C C 3647 O O . ARG C 96 ? 0.2680 0.2878 0.2215 -0.0240 0.0448 0.0008 95 ARG C O 3648 C CB . ARG C 96 ? 0.2713 0.3043 0.2441 -0.0279 0.0570 -0.0045 95 ARG C CB 3649 C CG . ARG C 96 ? 0.2736 0.3168 0.2623 -0.0266 0.0602 -0.0072 95 ARG C CG 3650 C CD . ARG C 96 ? 0.2350 0.2828 0.2358 -0.0326 0.0580 -0.0050 95 ARG C CD 3651 N NE . ARG C 96 ? 0.2557 0.3214 0.2726 -0.0324 0.0611 -0.0050 95 ARG C NE 3652 C CZ . ARG C 96 ? 0.2564 0.3362 0.2853 -0.0293 0.0562 -0.0047 95 ARG C CZ 3653 N NH1 . ARG C 96 ? 0.2253 0.3268 0.2741 -0.0282 0.0590 -0.0001 95 ARG C NH1 3654 N NH2 . ARG C 96 ? 0.1790 0.2552 0.2018 -0.0275 0.0485 -0.0067 95 ARG C NH2 3655 N N . GLY C 97 ? 0.2789 0.2964 0.2479 -0.0294 0.0483 0.0147 96 GLY C N 3656 C CA . GLY C 97 ? 0.2882 0.3110 0.2511 -0.0301 0.0456 0.0291 96 GLY C CA 3657 C C . GLY C 97 ? 0.3120 0.3532 0.2576 -0.0378 0.0483 0.0342 96 GLY C C 3658 O O . GLY C 97 ? 0.3098 0.3633 0.2523 -0.0419 0.0464 0.0519 96 GLY C O 3659 N N . SER C 98 ? 0.3136 0.3589 0.2501 -0.0403 0.0541 0.0195 97 SER C N 3660 C CA . SER C 98 ? 0.3338 0.3961 0.2528 -0.0502 0.0609 0.0176 97 SER C CA 3661 C C . SER C 98 ? 0.3342 0.3943 0.2480 -0.0502 0.0693 -0.0030 97 SER C C 3662 O O . SER C 98 ? 0.3332 0.3806 0.2583 -0.0416 0.0681 -0.0107 97 SER C O 3663 C CB . SER C 98 ? 0.3476 0.4158 0.2719 -0.0549 0.0675 0.0248 97 SER C CB 3664 O OG . SER C 98 ? 0.3177 0.3785 0.2566 -0.0506 0.0738 0.0130 97 SER C OG 3665 N N . ALA C 99 ? 0.3459 0.4191 0.2448 -0.0609 0.0799 -0.0114 98 ALA C N 3666 C CA . ALA C 99 ? 0.3518 0.4203 0.2508 -0.0622 0.0937 -0.0323 98 ALA C CA 3667 C C . ALA C 99 ? 0.3437 0.4023 0.2688 -0.0518 0.1027 -0.0372 98 ALA C C 3668 O O . ALA C 99 ? 0.3584 0.4104 0.2940 -0.0491 0.1162 -0.0511 98 ALA C O 3669 C CB . ALA C 99 ? 0.3747 0.4621 0.2501 -0.0800 0.1059 -0.0427 98 ALA C CB 3670 N N . LEU C 100 ? 0.3316 0.3915 0.2704 -0.0471 0.0969 -0.0251 99 LEU C N 3671 C CA . LEU C 100 ? 0.3297 0.3882 0.2954 -0.0383 0.1016 -0.0258 99 LEU C CA 3672 C C . LEU C 100 ? 0.3099 0.3592 0.2895 -0.0272 0.0932 -0.0248 99 LEU C C 3673 O O . LEU C 100 ? 0.2950 0.3488 0.2986 -0.0194 0.0954 -0.0225 99 LEU C O 3674 C CB . LEU C 100 ? 0.3076 0.3732 0.2822 -0.0405 0.0969 -0.0144 99 LEU C CB 3675 C CG . LEU C 100 ? 0.3459 0.4235 0.3118 -0.0509 0.1070 -0.0124 99 LEU C CG 3676 C CD1 . LEU C 100 ? 0.2992 0.3819 0.2791 -0.0533 0.1043 -0.0015 99 LEU C CD1 3677 C CD2 . LEU C 100 ? 0.3537 0.4384 0.3237 -0.0529 0.1265 -0.0263 99 LEU C CD2 3678 N N . GLY C 101 ? 0.2969 0.3381 0.2627 -0.0272 0.0836 -0.0244 100 GLY C N 3679 C CA . GLY C 101 ? 0.2994 0.3340 0.2741 -0.0190 0.0748 -0.0223 100 GLY C CA 3680 C C . GLY C 101 ? 0.3000 0.3284 0.2835 -0.0132 0.0832 -0.0290 100 GLY C C 3681 O O . GLY C 101 ? 0.3290 0.3541 0.3086 -0.0173 0.0968 -0.0395 100 GLY C O 3682 N N . ARG C 102 ? 0.2904 0.3185 0.2874 -0.0052 0.0770 -0.0231 103 ARG C N 3683 C CA . ARG C 102 ? 0.2894 0.3096 0.2977 0.0010 0.0839 -0.0250 103 ARG C CA 3684 C C . ARG C 102 ? 0.2768 0.2912 0.2722 0.0010 0.0719 -0.0234 103 ARG C C 3685 O O . ARG C 102 ? 0.2544 0.2736 0.2413 -0.0009 0.0591 -0.0190 103 ARG C O 3686 C CB . ARG C 102 ? 0.2848 0.3156 0.3257 0.0114 0.0881 -0.0134 103 ARG C CB 3687 C CG . ARG C 102 ? 0.3378 0.3773 0.3984 0.0131 0.1010 -0.0132 103 ARG C CG 3688 C CD . ARG C 102 ? 0.4267 0.4514 0.4933 0.0119 0.1246 -0.0280 103 ARG C CD 3689 N NE . ARG C 102 ? 0.4928 0.5173 0.6004 0.0248 0.1388 -0.0194 103 ARG C NE 3690 C CZ . ARG C 102 ? 0.5293 0.5638 0.6698 0.0315 0.1530 -0.0142 103 ARG C CZ 3691 N NH1 . ARG C 102 ? 0.5256 0.5700 0.6600 0.0250 0.1571 -0.0205 103 ARG C NH1 3692 N NH2 . ARG C 102 ? 0.5663 0.6013 0.7500 0.0456 0.1651 -0.0009 103 ARG C NH2 3693 N N . LEU C 103 ? 0.2814 0.2844 0.2772 0.0021 0.0785 -0.0288 104 LEU C N 3694 C CA . LEU C 103 ? 0.2827 0.2805 0.2682 0.0018 0.0696 -0.0280 104 LEU C CA 3695 C C . LEU C 103 ? 0.2833 0.2837 0.2891 0.0108 0.0692 -0.0166 104 LEU C C 3696 O O . LEU C 103 ? 0.2945 0.2929 0.3238 0.0172 0.0813 -0.0123 104 LEU C O 3697 C CB . LEU C 103 ? 0.2983 0.2856 0.2707 -0.0059 0.0768 -0.0410 104 LEU C CB 3698 C CG . LEU C 103 ? 0.3343 0.3280 0.2836 -0.0176 0.0747 -0.0485 104 LEU C CG 3699 C CD1 . LEU C 103 ? 0.3351 0.3258 0.2718 -0.0285 0.0807 -0.0617 104 LEU C CD1 3700 C CD2 . LEU C 103 ? 0.3167 0.3184 0.2570 -0.0169 0.0586 -0.0380 104 LEU C CD2 3701 N N . HIS C 104 ? 0.2713 0.2785 0.2706 0.0112 0.0567 -0.0101 105 HIS C N 3702 C CA . HIS C 104 ? 0.2751 0.2925 0.2898 0.0173 0.0540 0.0040 105 HIS C CA 3703 C C . HIS C 104 ? 0.2678 0.2761 0.2730 0.0159 0.0521 0.0020 105 HIS C C 3704 O O . HIS C 104 ? 0.2663 0.2755 0.2534 0.0107 0.0434 -0.0036 105 HIS C O 3705 C CB . HIS C 104 ? 0.2585 0.2992 0.2715 0.0148 0.0416 0.0119 105 HIS C CB 3706 C CG . HIS C 104 ? 0.2738 0.3263 0.2971 0.0145 0.0426 0.0141 105 HIS C CG 3707 N ND1 . HIS C 104 ? 0.3257 0.3989 0.3747 0.0203 0.0442 0.0300 105 HIS C ND1 3708 C CD2 . HIS C 104 ? 0.2775 0.3259 0.2919 0.0092 0.0432 0.0045 105 HIS C CD2 3709 C CE1 . HIS C 104 ? 0.2991 0.3808 0.3536 0.0180 0.0454 0.0279 105 HIS C CE1 3710 N NE2 . HIS C 104 ? 0.2874 0.3527 0.3203 0.0110 0.0454 0.0121 105 HIS C NE2 3711 N N . PHE C 105 ? 0.2687 0.2674 0.2899 0.0206 0.0623 0.0068 106 PHE C N 3712 C CA . PHE C 105 ? 0.2762 0.2632 0.2896 0.0175 0.0636 0.0022 106 PHE C CA 3713 C C . PHE C 105 ? 0.2775 0.2776 0.2971 0.0210 0.0573 0.0191 106 PHE C C 3714 O O . PHE C 105 ? 0.2641 0.2741 0.3065 0.0282 0.0606 0.0373 106 PHE C O 3715 C CB . PHE C 105 ? 0.2850 0.2505 0.3125 0.0172 0.0819 -0.0057 106 PHE C CB 3716 C CG . PHE C 105 ? 0.2941 0.2503 0.3068 0.0078 0.0885 -0.0269 106 PHE C CG 3717 C CD1 . PHE C 105 ? 0.3013 0.2584 0.3202 0.0085 0.0962 -0.0312 106 PHE C CD1 3718 C CD2 . PHE C 105 ? 0.2872 0.2386 0.2804 -0.0033 0.0873 -0.0412 106 PHE C CD2 3719 C CE1 . PHE C 105 ? 0.3220 0.2757 0.3239 -0.0030 0.1027 -0.0502 106 PHE C CE1 3720 C CE2 . PHE C 105 ? 0.3071 0.2588 0.2844 -0.0150 0.0920 -0.0581 106 PHE C CE2 3721 C CZ . PHE C 105 ? 0.2686 0.2216 0.2484 -0.0154 0.0997 -0.0628 106 PHE C CZ 3722 N N . GLY C 106 ? 0.2688 0.2718 0.2701 0.0156 0.0492 0.0148 107 GLY C N 3723 C CA . GLY C 106 ? 0.2737 0.2876 0.2782 0.0164 0.0464 0.0289 107 GLY C CA 3724 C C . GLY C 106 ? 0.2899 0.2864 0.3137 0.0201 0.0596 0.0351 107 GLY C C 3725 O O . GLY C 106 ? 0.2986 0.2735 0.3277 0.0189 0.0710 0.0219 107 GLY C O 3726 N N . ALA C 107 ? 0.2780 0.2850 0.3131 0.0230 0.0597 0.0549 108 ALA C N 3727 C CA . ALA C 107 ? 0.2938 0.2818 0.3517 0.0263 0.0745 0.0627 108 ALA C CA 3728 C C . ALA C 107 ? 0.2998 0.2756 0.3422 0.0177 0.0757 0.0491 108 ALA C C 3729 O O . ALA C 107 ? 0.3222 0.2822 0.3809 0.0175 0.0878 0.0529 108 ALA C O 3730 C CB . ALA C 107 ? 0.2837 0.2908 0.3661 0.0341 0.0750 0.0962 108 ALA C CB 3731 N N . GLY C 108 ? 0.2950 0.2788 0.3101 0.0107 0.0645 0.0341 109 GLY C N 3732 C CA . GLY C 108 ? 0.2958 0.2713 0.3013 0.0031 0.0662 0.0224 109 GLY C CA 3733 C C . GLY C 108 ? 0.3099 0.3005 0.3085 0.0005 0.0615 0.0324 109 GLY C C 3734 O O . GLY C 108 ? 0.3167 0.3242 0.3212 0.0037 0.0594 0.0536 109 GLY C O 3735 N N . THR C 109 ? 0.3017 0.2908 0.2886 -0.0062 0.0599 0.0187 110 THR C N 3736 C CA . THR C 109 ? 0.3116 0.3124 0.2942 -0.0100 0.0593 0.0255 110 THR C CA 3737 C C . THR C 109 ? 0.3250 0.3105 0.3153 -0.0160 0.0679 0.0174 110 THR C C 3738 O O . THR C 109 ? 0.3330 0.3130 0.3183 -0.0211 0.0668 -0.0001 110 THR C O 3739 C CB . THR C 109 ? 0.2966 0.3132 0.2612 -0.0135 0.0512 0.0144 110 THR C CB 3740 O OG1 . THR C 109 ? 0.3056 0.3397 0.2613 -0.0124 0.0449 0.0196 110 THR C OG1 3741 C CG2 . THR C 109 ? 0.2995 0.3247 0.2618 -0.0191 0.0545 0.0159 110 THR C CG2 3742 N N . GLN C 110 ? 0.3302 0.3130 0.3324 -0.0174 0.0757 0.0310 111 GLN C N 3743 C CA . GLN C 110 ? 0.3577 0.3270 0.3680 -0.0258 0.0849 0.0219 111 GLN C CA 3744 C C . GLN C 110 ? 0.3478 0.3328 0.3478 -0.0327 0.0809 0.0167 111 GLN C C 3745 O O . GLN C 110 ? 0.3497 0.3488 0.3470 -0.0325 0.0806 0.0302 111 GLN C O 3746 C CB . GLN C 110 ? 0.3814 0.3357 0.4161 -0.0238 0.0988 0.0398 111 GLN C CB 3747 C CG . GLN C 110 ? 0.4813 0.4142 0.5307 -0.0338 0.1133 0.0287 111 GLN C CG 3748 C CD . GLN C 110 ? 0.5960 0.5113 0.6762 -0.0293 0.1297 0.0507 111 GLN C CD 3749 O OE1 . GLN C 110 ? 0.6163 0.5306 0.7066 -0.0340 0.1369 0.0622 111 GLN C OE1 3750 N NE2 . GLN C 110 ? 0.5643 0.4679 0.6633 -0.0189 0.1364 0.0608 111 GLN C NE2 3751 N N . LEU C 111 ? 0.3366 0.3230 0.3323 -0.0396 0.0784 -0.0014 112 LEU C N 3752 C CA . LEU C 111 ? 0.3288 0.3312 0.3219 -0.0453 0.0765 -0.0055 112 LEU C CA 3753 C C . LEU C 111 ? 0.3474 0.3425 0.3531 -0.0570 0.0860 -0.0099 112 LEU C C 3754 O O . LEU C 111 ? 0.3466 0.3302 0.3573 -0.0650 0.0902 -0.0223 112 LEU C O 3755 C CB . LEU C 111 ? 0.3064 0.3229 0.2927 -0.0447 0.0668 -0.0179 112 LEU C CB 3756 C CG . LEU C 111 ? 0.3211 0.3565 0.3122 -0.0491 0.0657 -0.0218 112 LEU C CG 3757 C CD1 . LEU C 111 ? 0.2906 0.3370 0.2778 -0.0451 0.0685 -0.0152 112 LEU C CD1 3758 C CD2 . LEU C 111 ? 0.2888 0.3382 0.2820 -0.0473 0.0572 -0.0288 112 LEU C CD2 3759 N N . ILE C 112 ? 0.3484 0.3517 0.3584 -0.0603 0.0907 -0.0013 113 ILE C N 3760 C CA . ILE C 112 ? 0.3480 0.3493 0.3701 -0.0732 0.0989 -0.0071 113 ILE C CA 3761 C C . ILE C 112 ? 0.3385 0.3663 0.3591 -0.0771 0.0941 -0.0118 113 ILE C C 3762 O O . ILE C 112 ? 0.3141 0.3559 0.3288 -0.0715 0.0929 -0.0038 113 ILE C O 3763 C CB . ILE C 112 ? 0.3815 0.3666 0.4180 -0.0758 0.1129 0.0083 113 ILE C CB 3764 C CG1 . ILE C 112 ? 0.3868 0.3434 0.4358 -0.0724 0.1222 0.0117 113 ILE C CG1 3765 C CG2 . ILE C 112 ? 0.3751 0.3603 0.4249 -0.0915 0.1225 0.0013 113 ILE C CG2 3766 C CD1 . ILE C 112 ? 0.4452 0.3860 0.5160 -0.0708 0.1373 0.0354 113 ILE C CD1 3767 N N . VAL C 113 ? 0.3311 0.3687 0.3587 -0.0882 0.0925 -0.0250 114 VAL C N 3768 C CA . VAL C 113 ? 0.3096 0.3755 0.3435 -0.0912 0.0885 -0.0273 114 VAL C CA 3769 C C . VAL C 113 ? 0.3241 0.3934 0.3715 -0.1062 0.0979 -0.0288 114 VAL C C 3770 O O . VAL C 113 ? 0.3387 0.3998 0.3919 -0.1204 0.1021 -0.0388 114 VAL C O 3771 C CB . VAL C 113 ? 0.2992 0.3857 0.3345 -0.0914 0.0765 -0.0357 114 VAL C CB 3772 C CG1 . VAL C 113 ? 0.2768 0.3952 0.3270 -0.0916 0.0736 -0.0338 114 VAL C CG1 3773 C CG2 . VAL C 113 ? 0.2608 0.3410 0.2845 -0.0770 0.0689 -0.0337 114 VAL C CG2 3774 N N . ILE C 114 ? 0.3239 0.4062 0.3763 -0.1052 0.1029 -0.0207 115 ILE C N 3775 C CA . ILE C 114 ? 0.3280 0.4158 0.3948 -0.1197 0.1126 -0.0205 115 ILE C CA 3776 C C . ILE C 114 ? 0.3108 0.4310 0.3908 -0.1282 0.1064 -0.0297 115 ILE C C 3777 O O . ILE C 114 ? 0.3111 0.4544 0.3948 -0.1184 0.1004 -0.0277 115 ILE C O 3778 C CB . ILE C 114 ? 0.3457 0.4382 0.4117 -0.1164 0.1215 -0.0064 115 ILE C CB 3779 C CG1 . ILE C 114 ? 0.3598 0.4309 0.4135 -0.1077 0.1252 0.0090 115 ILE C CG1 3780 C CG2 . ILE C 114 ? 0.3391 0.4384 0.4223 -0.1325 0.1326 -0.0053 115 ILE C CG2 3781 C CD1 . ILE C 114 ? 0.3644 0.4032 0.4269 -0.1123 0.1329 0.0128 115 ILE C CD1 3782 N N . PRO C 115 ? 0.5609 0.8288 0.7268 -0.1429 -0.0415 -0.3939 116 PRO C N 3783 C CA . PRO C 115 ? 0.5476 0.7737 0.7208 -0.1283 -0.0138 -0.3740 116 PRO C CA 3784 C C . PRO C 115 ? 0.5847 0.8047 0.7140 -0.1035 -0.0020 -0.4030 116 PRO C C 3785 O O . PRO C 115 ? 0.5801 0.8361 0.6505 -0.0920 -0.0034 -0.4125 116 PRO C O 3786 C CB . PRO C 115 ? 0.4821 0.7317 0.6444 -0.1213 -0.0020 -0.3193 116 PRO C CB 3787 C CG . PRO C 115 ? 0.4760 0.7772 0.5991 -0.1213 -0.0166 -0.3163 116 PRO C CG 3788 C CD . PRO C 115 ? 0.4950 0.8092 0.6382 -0.1383 -0.0442 -0.3542 116 PRO C CD 3789 N N . ASP C 116 ? 0.6246 0.7965 0.7812 -0.0930 0.0123 -0.4156 117 ASP C N 3790 C CA . ASP C 116 ? 0.6819 0.8517 0.8106 -0.0643 0.0318 -0.4387 117 ASP C CA 3791 C C . ASP C 116 ? 0.6307 0.8321 0.7584 -0.0467 0.0519 -0.3948 117 ASP C C 3792 O O . ASP C 116 ? 0.6036 0.7876 0.7712 -0.0429 0.0546 -0.3617 117 ASP C O 3793 C CB . ASP C 116 ? 0.7399 0.8450 0.9062 -0.0546 0.0389 -0.4702 117 ASP C CB 3794 C CG . ASP C 116 ? 0.8344 0.9375 0.9665 -0.0279 0.0552 -0.5176 117 ASP C CG 3795 O OD1 . ASP C 116 ? 0.8519 1.0058 0.9351 -0.0146 0.0690 -0.5151 117 ASP C OD1 3796 O OD2 . ASP C 116 ? 0.9342 0.9803 1.0872 -0.0196 0.0584 -0.5576 117 ASP C OD2 3797 N N . ILE C 117 ? 0.6348 0.8814 0.7155 -0.0380 0.0647 -0.3930 118 ILE C N 3798 C CA . ILE C 117 ? 0.6060 0.8855 0.6972 -0.0275 0.0848 -0.3577 118 ILE C CA 3799 C C . ILE C 117 ? 0.6581 0.9473 0.7533 -0.0024 0.1136 -0.3846 118 ILE C C 3800 O O . ILE C 117 ? 0.7051 1.0098 0.7479 0.0043 0.1304 -0.4099 118 ILE C O 3801 C CB . ILE C 117 ? 0.5712 0.8900 0.6173 -0.0381 0.0876 -0.3296 118 ILE C CB 3802 C CG1 . ILE C 117 ? 0.5287 0.8432 0.5743 -0.0579 0.0612 -0.3065 118 ILE C CG1 3803 C CG2 . ILE C 117 ? 0.5396 0.8882 0.6079 -0.0330 0.1095 -0.3003 118 ILE C CG2 3804 C CD1 . ILE C 117 ? 0.4463 0.7452 0.5409 -0.0640 0.0548 -0.2740 118 ILE C CD1 3805 N N . GLN C 118 ? 0.6668 0.9467 0.8217 0.0150 0.1196 -0.3795 119 GLN C N 3806 C CA . GLN C 118 ? 0.7365 1.0200 0.9118 0.0440 0.1455 -0.4127 119 GLN C CA 3807 C C . GLN C 118 ? 0.7207 1.0672 0.9141 0.0542 0.1770 -0.4014 119 GLN C C 3808 O O . GLN C 118 ? 0.7717 1.1374 0.9571 0.0725 0.2104 -0.4310 119 GLN C O 3809 C CB . GLN C 118 ? 0.7607 0.9985 0.9962 0.0655 0.1360 -0.4177 119 GLN C CB 3810 C CG . GLN C 118 ? 0.8479 1.0157 1.0712 0.0661 0.1275 -0.4579 119 GLN C CG 3811 C CD . GLN C 118 ? 0.8906 0.9956 1.1687 0.0843 0.1177 -0.4497 119 GLN C CD 3812 O OE1 . GLN C 118 ? 0.8558 0.9585 1.1628 0.0859 0.1041 -0.4045 119 GLN C OE1 3813 N NE2 . GLN C 118 ? 0.9536 1.0008 1.2388 0.1005 0.1249 -0.4934 119 GLN C NE2 3814 N N . ASN C 119 ? 0.6628 1.0405 0.8828 0.0412 0.1690 -0.3612 120 ASN C N 3815 C CA . ASN C 119 ? 0.6500 1.0891 0.9029 0.0424 0.1973 -0.3499 120 ASN C CA 3816 C C . ASN C 119 ? 0.6148 1.0720 0.8304 0.0131 0.1984 -0.3175 120 ASN C C 3817 O O . ASN C 119 ? 0.5679 1.0379 0.8174 0.0015 0.1806 -0.2896 120 ASN C O 3818 C CB . ASN C 119 ? 0.6212 1.0850 0.9646 0.0607 0.1853 -0.3406 120 ASN C CB 3819 C CG . ASN C 119 ? 0.6731 1.1043 1.0505 0.0950 0.1799 -0.3666 120 ASN C CG 3820 O OD1 . ASN C 119 ? 0.7019 1.1447 1.0909 0.1169 0.2107 -0.4003 120 ASN C OD1 3821 N ND2 . ASN C 119 ? 0.6714 1.0539 1.0591 0.1016 0.1445 -0.3503 120 ASN C ND2 3822 N N . PRO C 120 ? 0.6507 1.1044 0.7903 0.0043 0.2182 -0.3219 121 PRO C N 3823 C CA . PRO C 120 ? 0.6311 1.0909 0.7299 -0.0187 0.2201 -0.2883 121 PRO C CA 3824 C C . PRO C 120 ? 0.6206 1.1244 0.7636 -0.0287 0.2550 -0.2702 121 PRO C C 3825 O O . PRO C 120 ? 0.6401 1.1780 0.8197 -0.0176 0.2922 -0.2875 121 PRO C O 3826 C CB . PRO C 120 ? 0.6927 1.1341 0.6929 -0.0161 0.2300 -0.2999 121 PRO C CB 3827 C CG . PRO C 120 ? 0.7505 1.1778 0.7410 0.0056 0.2337 -0.3464 121 PRO C CG 3828 C CD . PRO C 120 ? 0.7244 1.1683 0.8080 0.0197 0.2424 -0.3577 121 PRO C CD 3829 N N . ASP C 121 ? 0.5855 1.0883 0.7320 -0.0504 0.2442 -0.2384 122 ASP C N 3830 C CA . ASP C 121 ? 0.5742 1.1122 0.7716 -0.0683 0.2719 -0.2222 122 ASP C CA 3831 C C . ASP C 121 ? 0.5744 1.0837 0.7149 -0.0902 0.2746 -0.1890 122 ASP C C 3832 O O . ASP C 121 ? 0.5400 1.0480 0.7154 -0.1071 0.2571 -0.1730 122 ASP C O 3833 C CB . ASP C 121 ? 0.5225 1.0882 0.8151 -0.0686 0.2422 -0.2252 122 ASP C CB 3834 C CG . ASP C 121 ? 0.5326 1.1520 0.9081 -0.0856 0.2688 -0.2240 122 ASP C CG 3835 O OD1 . ASP C 121 ? 0.5956 1.2277 0.9605 -0.1000 0.3193 -0.2176 122 ASP C OD1 3836 O OD2 . ASP C 121 ? 0.5147 1.1641 0.9676 -0.0848 0.2390 -0.2297 122 ASP C OD2 3837 N N . PRO C 122 ? 0.6247 1.1083 0.6731 -0.0863 0.2957 -0.1796 123 PRO C N 3838 C CA . PRO C 122 ? 0.6331 1.0795 0.6159 -0.0966 0.2897 -0.1470 123 PRO C CA 3839 C C . PRO C 122 ? 0.6284 1.0724 0.6423 -0.1222 0.3178 -0.1197 123 PRO C C 3840 O O . PRO C 122 ? 0.6646 1.1284 0.7030 -0.1328 0.3676 -0.1168 123 PRO C O 3841 C CB . PRO C 122 ? 0.7110 1.1381 0.5890 -0.0794 0.3089 -0.1464 123 PRO C CB 3842 C CG . PRO C 122 ? 0.7529 1.2093 0.6461 -0.0695 0.3490 -0.1721 123 PRO C CG 3843 C CD . PRO C 122 ? 0.6902 1.1785 0.6869 -0.0680 0.3288 -0.1994 123 PRO C CD 3844 N N . ALA C 123 ? 0.5907 1.0083 0.6062 -0.1328 0.2887 -0.1018 124 ALA C N 3845 C CA . ALA C 123 ? 0.5883 0.9927 0.6365 -0.1591 0.3076 -0.0816 124 ALA C CA 3846 C C . ALA C 123 ? 0.5935 0.9456 0.5867 -0.1591 0.2873 -0.0556 124 ALA C C 3847 O O . ALA C 123 ? 0.5763 0.9166 0.5328 -0.1411 0.2497 -0.0569 124 ALA C O 3848 C CB . ALA C 123 ? 0.5321 0.9745 0.6848 -0.1743 0.2900 -0.1021 124 ALA C CB 3849 N N . VAL C 124 ? 0.6266 0.9467 0.6210 -0.1796 0.3155 -0.0329 125 VAL C N 3850 C CA . VAL C 124 ? 0.6338 0.8987 0.5869 -0.1787 0.3008 -0.0093 125 VAL C CA 3851 C C . VAL C 124 ? 0.6174 0.8716 0.6411 -0.2090 0.3008 -0.0156 125 VAL C C 3852 O O . VAL C 124 ? 0.6505 0.8992 0.7140 -0.2369 0.3411 -0.0103 125 VAL C O 3853 C CB . VAL C 124 ? 0.7292 0.9420 0.5924 -0.1681 0.3345 0.0287 125 VAL C CB 3854 C CG1 . VAL C 124 ? 0.7472 0.9010 0.5774 -0.1624 0.3184 0.0521 125 VAL C CG1 3855 C CG2 . VAL C 124 ? 0.7382 0.9647 0.5229 -0.1359 0.3268 0.0288 125 VAL C CG2 3856 N N . TYR C 125 ? 0.5676 0.8186 0.6061 -0.2042 0.2567 -0.0288 126 TYR C N 3857 C CA . TYR C 125 ? 0.5502 0.7967 0.6501 -0.2284 0.2428 -0.0461 126 TYR C CA 3858 C C . TYR C 125 ? 0.5815 0.7609 0.6390 -0.2270 0.2364 -0.0310 126 TYR C C 3859 O O . TYR C 125 ? 0.5920 0.7446 0.5839 -0.1996 0.2252 -0.0127 126 TYR C O 3860 C CB . TYR C 125 ? 0.4844 0.7760 0.6246 -0.2189 0.1969 -0.0753 126 TYR C CB 3861 C CG . TYR C 125 ? 0.4369 0.7921 0.6265 -0.2141 0.1979 -0.0933 126 TYR C CG 3862 C CD1 . TYR C 125 ? 0.4401 0.8373 0.7087 -0.2368 0.2220 -0.1078 126 TYR C CD1 3863 C CD2 . TYR C 125 ? 0.4254 0.7986 0.5913 -0.1869 0.1760 -0.0979 126 TYR C CD2 3864 C CE1 . TYR C 125 ? 0.4269 0.8853 0.7472 -0.2269 0.2248 -0.1260 126 TYR C CE1 3865 C CE2 . TYR C 125 ? 0.3932 0.8162 0.6041 -0.1783 0.1781 -0.1163 126 TYR C CE2 3866 C CZ . TYR C 125 ? 0.3966 0.8634 0.6833 -0.1956 0.2025 -0.1301 126 TYR C CZ 3867 O OH . TYR C 125 ? 0.3411 0.8595 0.6783 -0.1821 0.2061 -0.1496 126 TYR C OH 3868 N N . GLN C 126 ? 0.6032 0.7582 0.7045 -0.2556 0.2415 -0.0428 127 GLN C N 3869 C CA . GLN C 126 ? 0.6437 0.7293 0.7098 -0.2537 0.2348 -0.0362 127 GLN C CA 3870 C C . GLN C 126 ? 0.6102 0.7065 0.6977 -0.2528 0.1899 -0.0698 127 GLN C C 3871 O O . GLN C 126 ? 0.6047 0.7364 0.7583 -0.2760 0.1741 -0.1013 127 GLN C O 3872 C CB . GLN C 126 ? 0.7228 0.7511 0.8091 -0.2862 0.2758 -0.0257 127 GLN C CB 3873 C CG . GLN C 126 ? 0.8050 0.7434 0.8358 -0.2746 0.2794 -0.0087 127 GLN C CG 3874 C CD . GLN C 126 ? 0.9391 0.8025 0.9761 -0.3028 0.3290 0.0127 127 GLN C CD 3875 O OE1 . GLN C 126 ? 0.9882 0.7883 1.0397 -0.3205 0.3299 -0.0004 127 GLN C OE1 3876 N NE2 . GLN C 126 ? 0.9921 0.8559 1.0141 -0.3072 0.3739 0.0458 127 GLN C NE2 3877 N N . LEU C 127 ? 0.5980 0.6656 0.6285 -0.2241 0.1700 -0.0631 128 LEU C N 3878 C CA . LEU C 127 ? 0.5823 0.6515 0.6101 -0.2167 0.1328 -0.0903 128 LEU C CA 3879 C C . LEU C 127 ? 0.6425 0.6377 0.6410 -0.2180 0.1370 -0.0954 128 LEU C C 3880 O O . LEU C 127 ? 0.6791 0.6247 0.6351 -0.2017 0.1587 -0.0685 128 LEU C O 3881 C CB . LEU C 127 ? 0.5286 0.6265 0.5190 -0.1828 0.1123 -0.0813 128 LEU C CB 3882 C CG . LEU C 127 ? 0.4616 0.6257 0.4838 -0.1800 0.0984 -0.0874 128 LEU C CG 3883 C CD1 . LEU C 127 ? 0.4413 0.6313 0.4842 -0.1884 0.1252 -0.0744 128 LEU C CD1 3884 C CD2 . LEU C 127 ? 0.4361 0.6129 0.4245 -0.1519 0.0817 -0.0790 128 LEU C CD2 3885 N N . ARG C 128 ? 0.6700 0.6551 0.6885 -0.2339 0.1140 -0.1320 129 ARG C N 3886 C CA . ARG C 128 ? 0.7508 0.6574 0.7368 -0.2334 0.1189 -0.1429 129 ARG C CA 3887 C C . ARG C 128 ? 0.7566 0.6519 0.6850 -0.2012 0.0938 -0.1565 129 ARG C C 3888 O O . ARG C 128 ? 0.7065 0.6518 0.6290 -0.1896 0.0653 -0.1681 129 ARG C O 3889 C CB . ARG C 128 ? 0.8156 0.6919 0.8572 -0.2778 0.1215 -0.1757 129 ARG C CB 3890 C CG . ARG C 128 ? 0.8725 0.7189 0.9511 -0.3067 0.1693 -0.1487 129 ARG C CG 3891 C CD . ARG C 128 ? 1.0213 0.8212 1.1609 -0.3556 0.1796 -0.1806 129 ARG C CD 3892 N NE . ARG C 128 ? 1.1071 0.8500 1.2641 -0.3798 0.2359 -0.1463 129 ARG C NE 3893 C CZ . ARG C 128 ? 1.2389 0.8811 1.3948 -0.4003 0.2627 -0.1474 129 ARG C CZ 3894 N NH1 . ARG C 128 ? 1.2990 0.8871 1.4394 -0.4003 0.2364 -0.1880 129 ARG C NH1 3895 N NH2 . ARG C 128 ? 1.2975 0.8854 1.4628 -0.4200 0.3188 -0.1077 129 ARG C NH2 3896 N N . ASP C 129 ? 0.8238 0.6490 0.7071 -0.1836 0.1097 -0.1513 130 ASP C N 3897 C CA . ASP C 129 ? 0.8522 0.6599 0.6775 -0.1496 0.0992 -0.1605 130 ASP C CA 3898 C C . ASP C 129 ? 0.8964 0.6993 0.7084 -0.1591 0.0665 -0.2089 130 ASP C C 3899 O O . ASP C 129 ? 0.9502 0.7185 0.7878 -0.1893 0.0585 -0.2426 130 ASP C O 3900 C CB . ASP C 129 ? 0.9195 0.6497 0.7101 -0.1279 0.1275 -0.1470 130 ASP C CB 3901 C CG . ASP C 129 ? 0.9551 0.6718 0.6903 -0.0878 0.1270 -0.1536 130 ASP C CG 3902 O OD1 . ASP C 129 ? 0.9842 0.7045 0.6898 -0.0854 0.1062 -0.1866 130 ASP C OD1 3903 O OD2 . ASP C 129 ? 1.0089 0.7102 0.7285 -0.0560 0.1491 -0.1252 130 ASP C OD2 3904 N N . SER C 130 ? 0.8862 0.7204 0.6546 -0.1323 0.0482 -0.2121 131 SER C N 3905 C CA . SER C 130 ? 0.9430 0.7753 0.6764 -0.1312 0.0126 -0.2545 131 SER C CA 3906 C C . SER C 130 ? 1.0491 0.8022 0.7413 -0.1313 0.0127 -0.2942 131 SER C C 3907 O O . SER C 130 ? 1.1073 0.8545 0.7827 -0.1415 -0.0227 -0.3401 131 SER C O 3908 C CB . SER C 130 ? 0.9161 0.7846 0.5954 -0.0975 0.0025 -0.2403 131 SER C CB 3909 O OG . SER C 130 ? 0.9439 0.7742 0.5598 -0.0643 0.0290 -0.2302 131 SER C OG 3910 N N . LYS C 131 ? 1.0896 0.7814 0.7662 -0.1181 0.0492 -0.2794 132 LYS C N 3911 C CA . LYS C 131 ? 1.2044 0.8107 0.8351 -0.1111 0.0542 -0.3178 132 LYS C CA 3912 C C . LYS C 131 ? 1.2624 0.7937 0.9327 -0.1344 0.0795 -0.3191 132 LYS C C 3913 O O . LYS C 131 ? 1.3645 0.8184 1.0140 -0.1418 0.0779 -0.3615 132 LYS C O 3914 C CB . LYS C 131 ? 1.2309 0.8164 0.7856 -0.0606 0.0762 -0.3079 132 LYS C CB 3915 N N . SER C 132 ? 1.2152 0.7619 0.9359 -0.1449 0.1038 -0.2734 133 SER C N 3916 C CA . SER C 132 ? 1.2833 0.7535 1.0377 -0.1676 0.1329 -0.2648 133 SER C CA 3917 C C . SER C 132 ? 1.2467 0.7571 1.0775 -0.2146 0.1342 -0.2527 133 SER C C 3918 O O . SER C 132 ? 1.1600 0.7410 1.0104 -0.2103 0.1383 -0.2150 133 SER C O 3919 C CB . SER C 132 ? 1.2914 0.7221 1.0206 -0.1279 0.1708 -0.2142 133 SER C CB 3920 O OG . SER C 132 ? 1.3026 0.7328 0.9760 -0.0783 0.1733 -0.2149 133 SER C OG 3921 N N . SER C 133 ? 1.3196 0.7844 1.1974 -0.2605 0.1335 -0.2875 134 SER C N 3922 C CA . SER C 133 ? 1.2988 0.7984 1.2602 -0.3086 0.1448 -0.2773 134 SER C CA 3923 C C . SER C 133 ? 1.2728 0.7602 1.2289 -0.2952 0.1908 -0.2093 134 SER C C 3924 O O . SER C 133 ? 1.1980 0.7627 1.1817 -0.2998 0.1943 -0.1820 134 SER C O 3925 C CB . SER C 133 ? 1.3997 0.8340 1.4192 -0.3623 0.1477 -0.3229 134 SER C CB 3926 O OG . SER C 133 ? 1.3833 0.8789 1.5009 -0.4135 0.1502 -0.3277 134 SER C OG 3927 N N . ASP C 134 ? 1.3400 0.7300 1.2517 -0.2717 0.2227 -0.1839 135 ASP C N 3928 C CA . ASP C 134 ? 1.3481 0.7006 1.2451 -0.2584 0.2664 -0.1204 135 ASP C CA 3929 C C . ASP C 134 ? 1.2527 0.6757 1.1114 -0.2136 0.2648 -0.0722 135 ASP C C 3930 O O . ASP C 134 ? 1.2636 0.6759 1.1116 -0.2077 0.2941 -0.0234 135 ASP C O 3931 C CB . ASP C 134 ? 1.4729 0.6932 1.3313 -0.2393 0.2959 -0.1086 135 ASP C CB 3932 N N . LYS C 135 ? 1.1579 0.6498 0.9942 -0.1837 0.2320 -0.0863 136 LYS C N 3933 C CA . LYS C 135 ? 1.0706 0.6264 0.8792 -0.1439 0.2279 -0.0481 136 LYS C CA 3934 C C . LYS C 135 ? 0.9634 0.6193 0.8064 -0.1634 0.2120 -0.0483 136 LYS C C 3935 O O . LYS C 135 ? 0.9291 0.6282 0.8055 -0.1883 0.1880 -0.0853 136 LYS C O 3936 C CB . LYS C 135 ? 1.0526 0.6234 0.8241 -0.1001 0.2101 -0.0588 136 LYS C CB 3937 C CG . LYS C 135 ? 1.1683 0.6443 0.9069 -0.0755 0.2240 -0.0700 136 LYS C CG 3938 C CD . LYS C 135 ? 1.2445 0.6649 0.9592 -0.0394 0.2507 -0.0225 136 LYS C CD 3939 C CE . LYS C 135 ? 1.3376 0.6870 1.0203 0.0027 0.2606 -0.0328 136 LYS C CE 3940 N NZ . LYS C 135 ? 1.4177 0.6970 1.0792 0.0393 0.2853 0.0132 136 LYS C NZ 3941 N N . SER C 136 ? 0.9123 0.6039 0.7438 -0.1480 0.2227 -0.0091 137 SER C N 3942 C CA . SER C 136 ? 0.8275 0.6065 0.6883 -0.1625 0.2121 -0.0096 137 SER C CA 3943 C C . SER C 136 ? 0.7766 0.6031 0.6065 -0.1275 0.2065 0.0201 137 SER C C 3944 O O . SER C 136 ? 0.8117 0.6061 0.6016 -0.0938 0.2137 0.0477 137 SER C O 3945 C CB . SER C 136 ? 0.8550 0.6276 0.7532 -0.2019 0.2406 -0.0023 137 SER C CB 3946 O OG . SER C 136 ? 0.9415 0.6423 0.8028 -0.1937 0.2780 0.0385 137 SER C OG 3947 N N . VAL C 137 ? 0.6989 0.6022 0.5519 -0.1346 0.1911 0.0114 138 VAL C N 3948 C CA . VAL C 137 ? 0.6587 0.6095 0.4911 -0.1119 0.1865 0.0328 138 VAL C CA 3949 C C . VAL C 137 ? 0.6456 0.6347 0.5012 -0.1356 0.1987 0.0317 138 VAL C C 3950 O O . VAL C 137 ? 0.6282 0.6290 0.5314 -0.1675 0.2025 0.0096 138 VAL C O 3951 C CB . VAL C 137 ? 0.5898 0.5965 0.4280 -0.0922 0.1566 0.0198 138 VAL C CB 3952 C CG1 . VAL C 137 ? 0.6183 0.5963 0.4371 -0.0656 0.1517 0.0219 138 VAL C CG1 3953 C CG2 . VAL C 137 ? 0.5165 0.5641 0.3933 -0.1137 0.1393 -0.0101 138 VAL C CG2 3954 N N . CYS C 138 ? 0.6572 0.6697 0.4812 -0.1183 0.2035 0.0521 139 CYS C N 3955 C CA . CYS C 138 ? 0.6586 0.7140 0.4982 -0.1339 0.2158 0.0471 139 CYS C CA 3956 C C . CYS C 138 ? 0.5858 0.7058 0.4316 -0.1193 0.1872 0.0310 139 CYS C C 3957 O O . CYS C 138 ? 0.5711 0.7016 0.3850 -0.0924 0.1687 0.0392 139 CYS C O 3958 C CB . CYS C 138 ? 0.7417 0.7645 0.5304 -0.1285 0.2511 0.0803 139 CYS C CB 3959 S SG . CYS C 138 ? 0.9312 0.8626 0.7175 -0.1518 0.2956 0.1042 139 CYS C SG 3960 N N . LEU C 139 ? 0.5412 0.7041 0.4351 -0.1372 0.1833 0.0065 140 LEU C N 3961 C CA . LEU C 139 ? 0.4949 0.7070 0.4015 -0.1263 0.1590 -0.0108 140 LEU C CA 3962 C C . LEU C 139 ? 0.5008 0.7423 0.4053 -0.1284 0.1765 -0.0160 140 LEU C C 3963 O O . LEU C 139 ? 0.5068 0.7628 0.4511 -0.1476 0.1969 -0.0255 140 LEU C O 3964 C CB . LEU C 139 ? 0.4414 0.6738 0.3996 -0.1370 0.1384 -0.0345 140 LEU C CB 3965 C CG . LEU C 139 ? 0.4312 0.7030 0.4123 -0.1288 0.1167 -0.0516 140 LEU C CG 3966 C CD1 . LEU C 139 ? 0.4361 0.7046 0.3941 -0.1110 0.0978 -0.0455 140 LEU C CD1 3967 C CD2 . LEU C 139 ? 0.3975 0.6834 0.4238 -0.1379 0.1011 -0.0697 140 LEU C CD2 3968 N N . PHE C 140 ? 0.5122 0.7658 0.3736 -0.1082 0.1684 -0.0133 141 PHE C N 3969 C CA . PHE C 140 ? 0.5279 0.8077 0.3755 -0.1053 0.1831 -0.0249 141 PHE C CA 3970 C C . PHE C 140 ? 0.4789 0.7943 0.3665 -0.1024 0.1566 -0.0545 141 PHE C C 3971 O O . PHE C 140 ? 0.4579 0.7769 0.3416 -0.0920 0.1274 -0.0590 141 PHE C O 3972 C CB . PHE C 140 ? 0.5843 0.8511 0.3507 -0.0825 0.1846 -0.0087 141 PHE C CB 3973 C CG . PHE C 140 ? 0.6216 0.9115 0.3544 -0.0735 0.1951 -0.0254 141 PHE C CG 3974 C CD1 . PHE C 140 ? 0.6556 0.9600 0.4129 -0.0869 0.2321 -0.0360 141 PHE C CD1 3975 C CD2 . PHE C 140 ? 0.6511 0.9500 0.3265 -0.0499 0.1691 -0.0330 141 PHE C CD2 3976 C CE1 . PHE C 140 ? 0.6881 1.0099 0.4053 -0.0744 0.2474 -0.0538 141 PHE C CE1 3977 C CE2 . PHE C 140 ? 0.7131 1.0276 0.3437 -0.0392 0.1780 -0.0540 141 PHE C CE2 3978 C CZ . PHE C 140 ? 0.7045 1.0271 0.3518 -0.0503 0.2199 -0.0639 141 PHE C CZ 3979 N N . THR C 141 ? 0.4665 0.8070 0.3996 -0.1111 0.1683 -0.0740 142 THR C N 3980 C CA . THR C 141 ? 0.4294 0.7904 0.4042 -0.1064 0.1433 -0.0976 142 THR C CA 3981 C C . THR C 141 ? 0.4398 0.8270 0.4367 -0.1013 0.1573 -0.1222 142 THR C C 3982 O O . THR C 141 ? 0.4822 0.8814 0.4772 -0.1052 0.1915 -0.1223 142 THR C O 3983 C CB . THR C 141 ? 0.3938 0.7529 0.4186 -0.1147 0.1249 -0.0970 142 THR C CB 3984 O OG1 . THR C 141 ? 0.3773 0.7452 0.4301 -0.1057 0.1029 -0.1123 142 THR C OG1 3985 C CG2 . THR C 141 ? 0.3703 0.7445 0.4422 -0.1303 0.1421 -0.1003 142 THR C CG2 3986 N N . ASP C 142 ? 0.4171 0.8088 0.4353 -0.0919 0.1348 -0.1420 143 ASP C N 3987 C CA . ASP C 142 ? 0.4228 0.8321 0.4713 -0.0818 0.1427 -0.1694 143 ASP C CA 3988 C C . ASP C 142 ? 0.4805 0.8929 0.4779 -0.0719 0.1636 -0.1864 143 ASP C C 3989 O O . ASP C 142 ? 0.4992 0.9291 0.5157 -0.0630 0.1861 -0.2079 143 ASP C O 3990 C CB . ASP C 142 ? 0.4099 0.8482 0.5260 -0.0849 0.1571 -0.1733 143 ASP C CB 3991 C CG . ASP C 142 ? 0.3967 0.8324 0.5541 -0.0898 0.1289 -0.1625 143 ASP C CG 3992 O OD1 . ASP C 142 ? 0.3890 0.7978 0.5285 -0.0857 0.1024 -0.1553 143 ASP C OD1 3993 O OD2 . ASP C 142 ? 0.3941 0.8566 0.6024 -0.0979 0.1341 -0.1629 143 ASP C OD2 3994 N N . PHE C 143 ? 0.5116 0.9090 0.4417 -0.0696 0.1552 -0.1788 144 PHE C N 3995 C CA . PHE C 143 ? 0.5789 0.9765 0.4435 -0.0559 0.1673 -0.1982 144 PHE C CA 3996 C C . PHE C 143 ? 0.5998 0.9911 0.4704 -0.0484 0.1376 -0.2351 144 PHE C C 3997 O O . PHE C 143 ? 0.5578 0.9402 0.4710 -0.0560 0.1083 -0.2347 144 PHE C O 3998 C CB . PHE C 143 ? 0.6184 1.0036 0.4005 -0.0511 0.1684 -0.1735 144 PHE C CB 3999 C CG . PHE C 143 ? 0.5657 0.9421 0.3485 -0.0538 0.1306 -0.1566 144 PHE C CG 4000 C CD1 . PHE C 143 ? 0.5763 0.9577 0.3401 -0.0460 0.0929 -0.1770 144 PHE C CD1 4001 C CD2 . PHE C 143 ? 0.5247 0.8903 0.3319 -0.0643 0.1337 -0.1241 144 PHE C CD2 4002 C CE1 . PHE C 143 ? 0.5491 0.9328 0.3277 -0.0477 0.0621 -0.1620 144 PHE C CE1 4003 C CE2 . PHE C 143 ? 0.4948 0.8543 0.3050 -0.0629 0.1044 -0.1097 144 PHE C CE2 4004 C CZ . PHE C 143 ? 0.4939 0.8663 0.2933 -0.0540 0.0703 -0.1271 144 PHE C CZ 4005 N N . ASP C 144 ? 0.6791 1.0704 0.5072 -0.0346 0.1479 -0.2681 145 ASP C N 4006 C CA . ASP C 144 ? 0.7135 1.0912 0.5494 -0.0310 0.1184 -0.3087 145 ASP C CA 4007 C C . ASP C 144 ? 0.7417 1.1187 0.5308 -0.0332 0.0801 -0.3135 145 ASP C C 4008 O O . ASP C 144 ? 0.7494 1.1349 0.4883 -0.0299 0.0786 -0.2848 145 ASP C O 4009 C CB . ASP C 144 ? 0.7744 1.1477 0.5914 -0.0140 0.1408 -0.3517 145 ASP C CB 4010 C CG . ASP C 144 ? 0.8789 1.2581 0.5933 0.0012 0.1617 -0.3605 145 ASP C CG 4011 O OD1 . ASP C 144 ? 0.9254 1.3068 0.5765 0.0011 0.1464 -0.3387 145 ASP C OD1 4012 O OD2 . ASP C 144 ? 0.9522 1.3321 0.6448 0.0174 0.1953 -0.3885 145 ASP C OD2 4013 N N . SER C 145 ? 0.7677 1.1344 0.5786 -0.0381 0.0490 -0.3505 146 SER C N 4014 C CA . SER C 145 ? 0.7872 1.1655 0.5888 -0.0454 0.0065 -0.3564 146 SER C CA 4015 C C . SER C 145 ? 0.8811 1.2729 0.5873 -0.0278 -0.0105 -0.3794 146 SER C C 4016 O O . SER C 145 ? 0.9029 1.3154 0.5967 -0.0282 -0.0501 -0.3839 146 SER C O 4017 C CB . SER C 145 ? 0.7698 1.1337 0.6483 -0.0646 -0.0189 -0.3836 146 SER C CB 4018 O OG . SER C 145 ? 0.6963 1.0463 0.6455 -0.0765 -0.0055 -0.3502 146 SER C OG 4019 N N . GLN C 146 ? 0.9492 1.3327 0.5858 -0.0094 0.0203 -0.3919 147 GLN C N 4020 C CA . GLN C 146 ? 1.0573 1.4481 0.5794 0.0133 0.0107 -0.4049 147 GLN C CA 4021 C C . GLN C 146 ? 1.0567 1.4565 0.5247 0.0239 0.0178 -0.3472 147 GLN C C 4022 O O . GLN C 146 ? 1.1335 1.5419 0.5151 0.0441 -0.0086 -0.3466 147 GLN C O 4023 C CB . GLN C 146 ? 1.1391 1.5141 0.5967 0.0318 0.0504 -0.4357 147 GLN C CB 4024 C CG . GLN C 146 ? 1.1641 1.5206 0.6680 0.0268 0.0417 -0.4976 147 GLN C CG 4025 C CD . GLN C 146 ? 1.2414 1.5835 0.7096 0.0465 0.0944 -0.5216 147 GLN C CD 4026 O OE1 . GLN C 146 ? 1.3274 1.6592 0.7060 0.0668 0.0947 -0.5672 147 GLN C OE1 4027 N NE2 . GLN C 146 ? 1.1741 1.5195 0.7133 0.0426 0.1387 -0.4931 147 GLN C NE2 4028 N N . THR C 147 ? 0.9814 1.3758 0.4994 0.0121 0.0503 -0.3005 148 THR C N 4029 C CA . THR C 147 ? 0.9857 1.3762 0.4629 0.0195 0.0608 -0.2460 148 THR C CA 4030 C C . THR C 147 ? 0.9526 1.3592 0.4571 0.0187 0.0118 -0.2327 148 THR C C 4031 O O . THR C 147 ? 0.8819 1.3000 0.4787 -0.0006 -0.0091 -0.2424 148 THR C O 4032 C CB . THR C 147 ? 0.9266 1.3047 0.4532 0.0041 0.1103 -0.2078 148 THR C CB 4033 O OG1 . THR C 147 ? 0.9957 1.3676 0.4837 0.0104 0.1611 -0.2135 148 THR C OG1 4034 C CG2 . THR C 147 ? 0.9170 1.2807 0.4213 0.0062 0.1167 -0.1544 148 THR C CG2 4035 N N . ASN C 148 ? 1.0230 1.4301 0.4450 0.0433 -0.0035 -0.2092 149 ASN C N 4036 C CA . ASN C 148 ? 1.0014 1.4289 0.4463 0.0510 -0.0465 -0.1916 149 ASN C CA 4037 C C . ASN C 148 ? 0.9886 1.3895 0.4224 0.0573 -0.0191 -0.1317 149 ASN C C 4038 O O . ASN C 148 ? 1.0422 1.4088 0.4016 0.0681 0.0209 -0.1009 149 ASN C O 4039 C CB . ASN C 148 ? 1.1044 1.5552 0.4655 0.0820 -0.0956 -0.2119 149 ASN C CB 4040 C CG . ASN C 148 ? 1.1023 1.5887 0.5090 0.0700 -0.1425 -0.2771 149 ASN C CG 4041 O OD1 . ASN C 148 ? 1.0360 1.5437 0.5562 0.0433 -0.1597 -0.2935 149 ASN C OD1 4042 N ND2 . ASN C 148 ? 1.2016 1.6900 0.5173 0.0890 -0.1611 -0.3155 149 ASN C ND2 4043 N N . VAL C 149 ? 0.9245 1.3371 0.4330 0.0497 -0.0363 -0.1157 150 VAL C N 4044 C CA . VAL C 149 ? 0.9275 1.3085 0.4248 0.0580 -0.0137 -0.0642 150 VAL C CA 4045 C C . VAL C 149 ? 0.9974 1.3893 0.4445 0.0952 -0.0510 -0.0445 150 VAL C C 4046 O O . VAL C 149 ? 0.9768 1.4155 0.4755 0.1011 -0.0970 -0.0646 150 VAL C O 4047 C CB . VAL C 149 ? 0.8278 1.2051 0.4246 0.0320 -0.0014 -0.0561 150 VAL C CB 4048 C CG1 . VAL C 149 ? 0.8270 1.1691 0.4114 0.0434 0.0150 -0.0105 150 VAL C CG1 4049 C CG2 . VAL C 149 ? 0.7881 1.1513 0.4204 0.0037 0.0346 -0.0683 150 VAL C CG2 4050 N N . SER C 150 ? 1.0941 1.4432 0.4426 0.1215 -0.0297 -0.0043 151 SER C N 4051 C CA . SER C 150 ? 1.1756 1.5259 0.4652 0.1655 -0.0639 0.0225 151 SER C CA 4052 C C . SER C 150 ? 1.1522 1.4708 0.4798 0.1726 -0.0501 0.0655 151 SER C C 4053 O O . SER C 150 ? 1.1178 1.3880 0.4672 0.1487 -0.0013 0.0874 151 SER C O 4054 C CB . SER C 150 ? 1.3170 1.6296 0.4606 0.1985 -0.0508 0.0466 151 SER C CB 4055 O OG . SER C 150 ? 1.3779 1.7337 0.4718 0.2124 -0.0924 0.0019 151 SER C OG 4056 N N . GLN C 151 ? 1.1730 1.5222 0.5130 0.2069 -0.0955 0.0727 152 GLN C N 4057 C CA . GLN C 151 ? 1.1751 1.4942 0.5442 0.2244 -0.0865 0.1108 152 GLN C CA 4058 C C . GLN C 151 ? 1.2840 1.5142 0.5481 0.2491 -0.0477 0.1676 152 GLN C C 4059 O O . GLN C 151 ? 1.3862 1.5919 0.5411 0.2684 -0.0420 0.1825 152 GLN C O 4060 C CB . GLN C 151 ? 1.1775 1.5629 0.5953 0.2595 -0.1456 0.1011 152 GLN C CB 4061 C CG . GLN C 151 ? 1.0912 1.5613 0.6288 0.2288 -0.1761 0.0475 152 GLN C CG 4062 C CD . GLN C 151 ? 1.0034 1.4588 0.6316 0.1841 -0.1356 0.0405 152 GLN C CD 4063 O OE1 . GLN C 151 ? 0.9938 1.4311 0.6634 0.1910 -0.1190 0.0620 152 GLN C OE1 4064 N NE2 . GLN C 151 ? 0.9491 1.4102 0.6029 0.1423 -0.1213 0.0092 152 GLN C NE2 4065 N N . SER C 152 ? 1.2724 1.4487 0.5672 0.2477 -0.0176 0.1985 153 SER C N 4066 C CA . SER C 152 ? 1.3671 1.4436 0.5822 0.2581 0.0312 0.2517 153 SER C CA 4067 C C . SER C 152 ? 1.5062 1.5478 0.6059 0.3201 0.0126 0.2964 153 SER C C 4068 O O . SER C 152 ? 1.5216 1.6175 0.6237 0.3634 -0.0455 0.2898 153 SER C O 4069 C CB . SER C 152 ? 1.3316 1.3576 0.6130 0.2443 0.0598 0.2661 153 SER C CB 4070 O OG . SER C 152 ? 1.4543 1.3771 0.6625 0.2574 0.1033 0.3181 153 SER C OG 4071 N N . LYS C 153 ? 1.6094 1.5600 0.6119 0.3244 0.0634 0.3434 154 LYS C N 4072 C CA . LYS C 153 ? 1.7653 1.6575 0.6420 0.3862 0.0564 0.3989 154 LYS C CA 4073 C C . LYS C 153 ? 1.8060 1.6182 0.6960 0.4120 0.0729 0.4441 154 LYS C C 4074 O O . LYS C 153 ? 1.9538 1.6878 0.7390 0.4606 0.0826 0.5016 154 LYS C O 4075 C CB . LYS C 153 ? 1.8887 1.7156 0.6393 0.3815 0.1095 0.4324 154 LYS C CB 4076 N N . ASP C 154 ? 1.6785 1.5049 0.6903 0.3832 0.0764 0.4182 155 ASP C N 4077 C CA . ASP C 154 ? 1.7127 1.4594 0.7445 0.4043 0.0955 0.4515 155 ASP C CA 4078 C C . ASP C 154 ? 1.5854 1.4009 0.7390 0.4068 0.0601 0.4123 155 ASP C C 4079 O O . ASP C 154 ? 1.4515 1.3292 0.6943 0.3582 0.0591 0.3636 155 ASP C O 4080 C CB . ASP C 154 ? 1.7377 1.3814 0.7722 0.3535 0.1704 0.4699 155 ASP C CB 4081 C CG . ASP C 154 ? 1.8559 1.3797 0.8636 0.3832 0.1996 0.5189 155 ASP C CG 4082 O OD1 . ASP C 154 ? 1.8146 1.3390 0.8964 0.3949 0.1848 0.5031 155 ASP C OD1 4083 O OD2 . ASP C 154 ? 2.0062 1.4293 0.9167 0.3948 0.2420 0.5736 155 ASP C OD2 4084 N N . SER C 155 ? 1.6306 1.4334 0.7853 0.4669 0.0338 0.4359 156 SER C N 4085 C CA . SER C 155 ? 1.5244 1.3938 0.7932 0.4777 0.0058 0.4029 156 SER C CA 4086 C C . SER C 155 ? 1.4502 1.2685 0.7888 0.4323 0.0524 0.3848 156 SER C C 4087 O O . SER C 155 ? 1.3473 1.2287 0.7811 0.4210 0.0405 0.3468 156 SER C O 4088 C CB . SER C 155 ? 1.6184 1.4826 0.8734 0.5588 -0.0285 0.4349 156 SER C CB 4089 O OG . SER C 155 ? 1.7002 1.4398 0.9308 0.5780 0.0146 0.4733 156 SER C OG 4090 N N . ASP C 156 ? 1.5083 1.2118 0.7977 0.4065 0.1060 0.4114 157 ASP C N 4091 C CA . ASP C 156 ? 1.4522 1.1007 0.7989 0.3589 0.1477 0.3896 157 ASP C CA 4092 C C . ASP C 156 ? 1.3214 1.0238 0.7174 0.2880 0.1583 0.3451 157 ASP C C 4093 O O . ASP C 156 ? 1.2607 0.9505 0.7162 0.2506 0.1764 0.3144 157 ASP C O 4094 C CB . ASP C 156 ? 1.5842 1.0856 0.8720 0.3572 0.1995 0.4324 157 ASP C CB 4095 C CG . ASP C 156 ? 1.6618 1.0898 0.9607 0.4045 0.2041 0.4485 157 ASP C CG 4096 O OD1 . ASP C 156 ? 1.8038 1.1143 1.0342 0.4334 0.2314 0.4987 157 ASP C OD1 4097 O OD2 . ASP C 156 ? 1.5874 1.0698 0.9617 0.4140 0.1846 0.4120 157 ASP C OD2 4098 N N . VAL C 157 ? 1.2862 1.0460 0.6522 0.2747 0.1450 0.3408 158 VAL C N 4099 C CA . VAL C 157 ? 1.1719 0.9861 0.5811 0.2162 0.1520 0.3011 158 VAL C CA 4100 C C . VAL C 157 ? 1.0626 0.9931 0.5304 0.2191 0.1050 0.2614 158 VAL C C 4101 O O . VAL C 157 ? 1.0889 1.0708 0.5379 0.2599 0.0656 0.2667 158 VAL C O 4102 C CB . VAL C 157 ? 1.2246 1.0195 0.5642 0.1975 0.1771 0.3193 158 VAL C CB 4103 C CG1 . VAL C 157 ? 1.1101 0.9683 0.4999 0.1451 0.1815 0.2769 158 VAL C CG1 4104 C CG2 . VAL C 157 ? 1.3310 1.0078 0.6231 0.1869 0.2328 0.3607 158 VAL C CG2 4105 N N . TYR C 158 ? 0.9495 0.9193 0.4887 0.1760 0.1084 0.2220 159 TYR C N 4106 C CA . TYR C 158 ? 0.8540 0.9219 0.4560 0.1711 0.0730 0.1857 159 TYR C CA 4107 C C . TYR C 158 ? 0.7932 0.9000 0.4115 0.1272 0.0757 0.1569 159 TYR C C 4108 O O . TYR C 158 ? 0.7716 0.8480 0.4044 0.0898 0.1042 0.1479 159 TYR C O 4109 C CB . TYR C 158 ? 0.7948 0.8727 0.4672 0.1687 0.0752 0.1672 159 TYR C CB 4110 C CG . TYR C 158 ? 0.8556 0.8961 0.5205 0.2159 0.0753 0.1912 159 TYR C CG 4111 C CD1 . TYR C 158 ? 0.8695 0.9695 0.5520 0.2627 0.0400 0.1973 159 TYR C CD1 4112 C CD2 . TYR C 158 ? 0.9055 0.8507 0.5496 0.2160 0.1090 0.2058 159 TYR C CD2 4113 C CE1 . TYR C 158 ? 0.9225 0.9908 0.6028 0.3133 0.0395 0.2203 159 TYR C CE1 4114 C CE2 . TYR C 158 ? 0.9800 0.8818 0.6156 0.2647 0.1111 0.2277 159 TYR C CE2 4115 C CZ . TYR C 158 ? 0.9826 0.9476 0.6364 0.3157 0.0768 0.2364 159 TYR C CZ 4116 O OH . TYR C 158 ? 1.0658 0.9926 0.7179 0.3702 0.0778 0.2581 159 TYR C OH 4117 N N . ILE C 159 ? 0.7767 0.9525 0.3974 0.1330 0.0436 0.1391 160 ILE C N 4118 C CA . ILE C 159 ? 0.7214 0.9325 0.3604 0.0965 0.0449 0.1088 160 ILE C CA 4119 C C . ILE C 159 ? 0.6605 0.9492 0.3642 0.0934 0.0096 0.0756 160 ILE C C 4120 O O . ILE C 159 ? 0.6788 1.0122 0.3836 0.1213 -0.0254 0.0726 160 ILE C O 4121 C CB . ILE C 159 ? 0.7887 0.9894 0.3482 0.1013 0.0510 0.1173 160 ILE C CB 4122 C CG1 . ILE C 159 ? 0.8661 0.9838 0.3618 0.1048 0.0932 0.1579 160 ILE C CG1 4123 C CG2 . ILE C 159 ? 0.7196 0.9511 0.3026 0.0664 0.0579 0.0838 160 ILE C CG2 4124 C CD1 . ILE C 159 ? 0.9656 1.0623 0.3675 0.1149 0.1103 0.1762 160 ILE C CD1 4125 N N . THR C 160 ? 0.6046 0.9080 0.3646 0.0594 0.0187 0.0513 161 THR C N 4126 C CA . THR C 160 ? 0.5717 0.9364 0.3991 0.0483 -0.0046 0.0219 161 THR C CA 4127 C C . THR C 160 ? 0.5863 0.9801 0.4011 0.0361 -0.0206 -0.0040 161 THR C C 4128 O O . THR C 160 ? 0.6242 0.9908 0.3798 0.0342 -0.0067 0.0004 161 THR C O 4129 C CB . THR C 160 ? 0.5069 0.8629 0.3876 0.0211 0.0147 0.0120 161 THR C CB 4130 O OG1 . THR C 160 ? 0.5250 0.8630 0.3959 -0.0054 0.0290 0.0002 161 THR C OG1 4131 C CG2 . THR C 160 ? 0.5164 0.8280 0.3919 0.0303 0.0364 0.0322 161 THR C CG2 4132 N N . ASP C 161 ? 0.5733 1.0203 0.4447 0.0278 -0.0467 -0.0324 162 ASP C N 4133 C CA . ASP C 161 ? 0.6027 1.0714 0.4654 0.0154 -0.0634 -0.0648 162 ASP C CA 4134 C C . ASP C 161 ? 0.5595 1.0024 0.4449 -0.0152 -0.0367 -0.0764 162 ASP C C 4135 O O . ASP C 161 ? 0.5152 0.9331 0.4250 -0.0258 -0.0135 -0.0611 162 ASP C O 4136 C CB . ASP C 161 ? 0.6063 1.1380 0.5275 0.0148 -0.1034 -0.0954 162 ASP C CB 4137 C CG . ASP C 161 ? 0.6945 1.2457 0.5780 0.0153 -0.1319 -0.1312 162 ASP C CG 4138 O OD1 . ASP C 161 ? 0.7675 1.2847 0.5685 0.0223 -0.1177 -0.1278 162 ASP C OD1 4139 O OD2 . ASP C 161 ? 0.7133 1.3151 0.6519 0.0078 -0.1672 -0.1656 162 ASP C OD2 4140 N N . LYS C 162 ? 0.5810 1.0277 0.4518 -0.0249 -0.0410 -0.1040 163 LYS C N 4141 C CA . LYS C 162 ? 0.5451 0.9699 0.4405 -0.0471 -0.0187 -0.1156 163 LYS C CA 4142 C C . LYS C 162 ? 0.5011 0.9380 0.4735 -0.0647 -0.0260 -0.1270 163 LYS C C 4143 O O . LYS C 162 ? 0.4992 0.9697 0.5087 -0.0647 -0.0487 -0.1374 163 LYS C O 4144 C CB . LYS C 162 ? 0.5829 1.0078 0.4450 -0.0479 -0.0197 -0.1454 163 LYS C CB 4145 C CG . LYS C 162 ? 0.6126 1.0693 0.4802 -0.0460 -0.0563 -0.1828 163 LYS C CG 4146 C CD . LYS C 162 ? 0.6606 1.1071 0.4959 -0.0474 -0.0521 -0.2187 163 LYS C CD 4147 C CE . LYS C 162 ? 0.7244 1.1984 0.5389 -0.0407 -0.0920 -0.2596 163 LYS C CE 4148 N NZ . LYS C 162 ? 0.8214 1.2785 0.5809 -0.0351 -0.0827 -0.2945 163 LYS C NZ 4149 N N . CYS C 163 ? 0.4639 0.8751 0.4618 -0.0788 -0.0062 -0.1238 164 CYS C N 4150 C CA . CYS C 163 ? 0.4471 0.8567 0.5052 -0.0938 -0.0054 -0.1268 164 CYS C CA 4151 C C . CYS C 163 ? 0.4170 0.7952 0.4813 -0.1017 0.0086 -0.1331 164 CYS C C 4152 O O . CYS C 163 ? 0.4211 0.7866 0.4554 -0.0958 0.0205 -0.1274 164 CYS C O 4153 C CB . CYS C 163 ? 0.4442 0.8524 0.5134 -0.0888 0.0051 -0.0978 164 CYS C CB 4154 S SG . CYS C 163 ? 0.5113 0.9011 0.6258 -0.1013 0.0233 -0.0846 164 CYS C SG 4155 N N . VAL C 164 ? 0.3922 0.7582 0.4992 -0.1141 0.0075 -0.1459 165 VAL C N 4156 C CA . VAL C 164 ? 0.3822 0.7157 0.4947 -0.1142 0.0178 -0.1502 165 VAL C CA 4157 C C . VAL C 164 ? 0.3548 0.6588 0.4848 -0.1157 0.0298 -0.1249 165 VAL C C 4158 O O . VAL C 164 ? 0.3569 0.6537 0.5168 -0.1261 0.0343 -0.1164 165 VAL C O 4159 C CB . VAL C 164 ? 0.4156 0.7354 0.5556 -0.1223 0.0108 -0.1833 165 VAL C CB 4160 C CG1 . VAL C 164 ? 0.4121 0.7153 0.5362 -0.1101 0.0184 -0.1979 165 VAL C CG1 4161 C CG2 . VAL C 164 ? 0.4583 0.8078 0.6033 -0.1298 -0.0096 -0.2122 165 VAL C CG2 4162 N N . LEU C 165 ? 0.3303 0.6181 0.4438 -0.1050 0.0353 -0.1147 166 LEU C N 4163 C CA . LEU C 165 ? 0.3311 0.5871 0.4468 -0.1004 0.0413 -0.0920 166 LEU C CA 4164 C C . LEU C 165 ? 0.3587 0.5850 0.4901 -0.0915 0.0397 -0.0998 166 LEU C C 4165 O O . LEU C 165 ? 0.3641 0.6014 0.5013 -0.0842 0.0360 -0.1214 166 LEU C O 4166 C CB . LEU C 165 ? 0.3136 0.5728 0.3978 -0.0912 0.0416 -0.0741 166 LEU C CB 4167 C CG . LEU C 165 ? 0.3007 0.5773 0.3783 -0.0848 0.0366 -0.0849 166 LEU C CG 4168 C CD1 . LEU C 165 ? 0.3163 0.5801 0.4089 -0.0711 0.0287 -0.0872 166 LEU C CD1 4169 C CD2 . LEU C 165 ? 0.2710 0.5543 0.3230 -0.0859 0.0379 -0.0738 166 LEU C CD2 4170 N N . ASP C 166 ? 0.3813 0.5671 0.5174 -0.0891 0.0462 -0.0799 167 ASP C N 4171 C CA . ASP C 166 ? 0.4115 0.5560 0.5600 -0.0756 0.0453 -0.0802 167 ASP C CA 4172 C C . ASP C 166 ? 0.4291 0.5495 0.5453 -0.0538 0.0413 -0.0494 167 ASP C C 4173 O O . ASP C 166 ? 0.4337 0.5258 0.5261 -0.0552 0.0529 -0.0207 167 ASP C O 4174 C CB . ASP C 166 ? 0.4406 0.5441 0.6211 -0.0920 0.0578 -0.0825 167 ASP C CB 4175 C CG . ASP C 166 ? 0.5037 0.5525 0.6982 -0.0764 0.0589 -0.0850 167 ASP C CG 4176 O OD1 . ASP C 166 ? 0.5436 0.5940 0.7261 -0.0488 0.0476 -0.0845 167 ASP C OD1 4177 O OD2 . ASP C 166 ? 0.5801 0.5835 0.8046 -0.0912 0.0709 -0.0892 167 ASP C OD2 4178 N N . MET C 167 ? 0.4304 0.5669 0.5463 -0.0326 0.0251 -0.0575 168 MET C N 4179 C CA . MET C 167 ? 0.4807 0.5978 0.5705 -0.0050 0.0101 -0.0355 168 MET C CA 4180 C C . MET C 167 ? 0.5536 0.6138 0.6519 0.0160 0.0111 -0.0237 168 MET C C 4181 O O . MET C 167 ? 0.5687 0.6356 0.6990 0.0356 0.0004 -0.0411 168 MET C O 4182 C CB . MET C 167 ? 0.4481 0.6171 0.5530 0.0073 -0.0107 -0.0538 168 MET C CB 4183 C CG . MET C 167 ? 0.4068 0.6208 0.5055 -0.0144 -0.0079 -0.0648 168 MET C CG 4184 S SD . MET C 167 ? 0.3876 0.6629 0.5229 -0.0100 -0.0238 -0.0885 168 MET C SD 4185 C CE . MET C 167 ? 0.4305 0.6962 0.5377 0.0156 -0.0578 -0.0732 168 MET C CE 4186 N N . ARG C 168 ? 0.6192 0.6210 0.6918 0.0132 0.0282 0.0069 169 ARG C N 4187 C CA . ARG C 168 ? 0.7163 0.6469 0.8005 0.0259 0.0386 0.0203 169 ARG C CA 4188 C C . ARG C 168 ? 0.7769 0.6834 0.8475 0.0724 0.0152 0.0332 169 ARG C C 4189 O O . ARG C 168 ? 0.8100 0.6842 0.9143 0.0886 0.0151 0.0227 169 ARG C O 4190 C CB . ARG C 168 ? 0.7731 0.6436 0.8330 0.0102 0.0693 0.0563 169 ARG C CB 4191 C CG . ARG C 168 ? 0.7648 0.6620 0.8630 -0.0332 0.0901 0.0384 169 ARG C CG 4192 C CD . ARG C 168 ? 0.9022 0.7553 0.9894 -0.0517 0.1258 0.0737 169 ARG C CD 4193 N NE . ARG C 168 ? 0.9200 0.8324 1.0353 -0.0838 0.1356 0.0577 169 ARG C NE 4194 C CZ . ARG C 168 ? 0.9215 0.8591 1.1033 -0.1165 0.1398 0.0264 169 ARG C CZ 4195 N NH1 . ARG C 168 ? 0.9522 0.8539 1.1779 -0.1260 0.1385 0.0043 169 ARG C NH1 4196 N NH2 . ARG C 168 ? 0.8756 0.8734 1.0793 -0.1372 0.1429 0.0151 169 ARG C NH2 4197 N N . SER C 169 ? 0.8024 0.7260 0.8244 0.0958 -0.0068 0.0527 170 SER C N 4198 C CA . SER C 169 ? 0.8634 0.7839 0.8725 0.1438 -0.0404 0.0624 170 SER C CA 4199 C C . SER C 169 ? 0.8293 0.8056 0.9119 0.1569 -0.0586 0.0225 170 SER C C 4200 O O . SER C 169 ? 0.8831 0.8400 0.9840 0.1977 -0.0755 0.0265 170 SER C O 4201 C CB . SER C 169 ? 0.8670 0.8209 0.8193 0.1568 -0.0675 0.0730 170 SER C CB 4202 O OG . SER C 169 ? 0.9641 0.8934 0.8793 0.2075 -0.1004 0.0957 170 SER C OG 4203 N N . MET C 170 ? 0.7496 0.7931 0.8723 0.1254 -0.0520 -0.0136 171 MET C N 4204 C CA . MET C 170 ? 0.7227 0.8256 0.9123 0.1336 -0.0592 -0.0514 171 MET C CA 4205 C C . MET C 170 ? 0.7147 0.7971 0.9432 0.1220 -0.0324 -0.0781 171 MET C C 4206 O O . MET C 170 ? 0.6950 0.8184 0.9739 0.1338 -0.0314 -0.1093 171 MET C O 4207 C CB . MET C 170 ? 0.6504 0.8355 0.8556 0.1098 -0.0651 -0.0734 171 MET C CB 4208 C CG . MET C 170 ? 0.6989 0.9343 0.9157 0.1337 -0.1024 -0.0742 171 MET C CG 4209 S SD . MET C 170 ? 0.7204 1.0168 0.9305 0.0968 -0.1067 -0.0884 171 MET C SD 4210 C CE . MET C 170 ? 0.7360 1.0953 0.9859 0.1263 -0.1564 -0.1015 171 MET C CE 4211 N N . ASP C 171 ? 0.7359 0.7571 0.9436 0.0990 -0.0104 -0.0686 172 ASP C N 4212 C CA . ASP C 171 ? 0.7346 0.7422 0.9713 0.0767 0.0111 -0.1021 172 ASP C CA 4213 C C . ASP C 171 ? 0.6553 0.7407 0.9090 0.0573 0.0154 -0.1387 172 ASP C C 4214 O O . ASP C 171 ? 0.6636 0.7709 0.9487 0.0683 0.0219 -0.1724 172 ASP C O 4215 C CB . ASP C 171 ? 0.8102 0.7607 1.0779 0.1063 0.0154 -0.1142 172 ASP C CB 4216 C CG . ASP C 171 ? 0.8704 0.7626 1.1500 0.0786 0.0371 -0.1361 172 ASP C CG 4217 O OD1 . ASP C 171 ? 0.8506 0.7541 1.1187 0.0378 0.0455 -0.1395 172 ASP C OD1 4218 O OD2 . ASP C 171 ? 0.9456 0.7808 1.2506 0.0987 0.0437 -0.1526 172 ASP C OD2 4219 N N . PHE C 172 ? 0.5931 0.7150 0.8207 0.0311 0.0151 -0.1296 173 PHE C N 4220 C CA . PHE C 172 ? 0.5271 0.7153 0.7590 0.0161 0.0198 -0.1520 173 PHE C CA 4221 C C . PHE C 172 ? 0.4855 0.6829 0.6873 -0.0170 0.0271 -0.1485 173 PHE C C 4222 O O . PHE C 172 ? 0.4720 0.6619 0.6491 -0.0259 0.0232 -0.1219 173 PHE C O 4223 C CB . PHE C 172 ? 0.5016 0.7396 0.7439 0.0290 0.0058 -0.1439 173 PHE C CB 4224 C CG . PHE C 172 ? 0.4675 0.7636 0.7136 0.0092 0.0168 -0.1594 173 PHE C CG 4225 C CD1 . PHE C 172 ? 0.4730 0.8125 0.7578 0.0169 0.0305 -0.1859 173 PHE C CD1 4226 C CD2 . PHE C 172 ? 0.4377 0.7408 0.6483 -0.0152 0.0185 -0.1456 173 PHE C CD2 4227 C CE1 . PHE C 172 ? 0.4437 0.8281 0.7270 -0.0024 0.0486 -0.1946 173 PHE C CE1 4228 C CE2 . PHE C 172 ? 0.4292 0.7727 0.6383 -0.0318 0.0319 -0.1548 173 PHE C CE2 4229 C CZ . PHE C 172 ? 0.4231 0.8052 0.6664 -0.0269 0.0484 -0.1774 173 PHE C CZ 4230 N N . LYS C 173 ? 0.4679 0.6838 0.6689 -0.0305 0.0369 -0.1767 174 LYS C N 4231 C CA . LYS C 173 ? 0.4361 0.6680 0.6120 -0.0552 0.0388 -0.1768 174 LYS C CA 4232 C C . LYS C 173 ? 0.4088 0.6892 0.5655 -0.0583 0.0457 -0.1849 174 LYS C C 4233 O O . LYS C 173 ? 0.4202 0.7204 0.5858 -0.0474 0.0562 -0.2048 174 LYS C O 4234 C CB . LYS C 173 ? 0.4683 0.6771 0.6515 -0.0678 0.0390 -0.2035 174 LYS C CB 4235 C CG . LYS C 173 ? 0.5039 0.6564 0.7112 -0.0723 0.0391 -0.1912 174 LYS C CG 4236 C CD . LYS C 173 ? 0.5472 0.6803 0.7746 -0.0945 0.0375 -0.2197 174 LYS C CD 4237 C CE . LYS C 173 ? 0.5727 0.6372 0.8326 -0.1004 0.0458 -0.2082 174 LYS C CE 4238 N NZ . LYS C 173 ? 0.5986 0.6190 0.8662 -0.0727 0.0495 -0.2155 174 LYS C NZ 4239 N N . SER C 174 ? 0.3892 0.6852 0.5201 -0.0715 0.0444 -0.1678 175 SER C N 4240 C CA . SER C 174 ? 0.3778 0.7062 0.4820 -0.0755 0.0546 -0.1700 175 SER C CA 4241 C C . SER C 174 ? 0.3705 0.7037 0.4426 -0.0860 0.0495 -0.1599 175 SER C C 4242 O O . SER C 174 ? 0.3623 0.6852 0.4389 -0.0916 0.0415 -0.1425 175 SER C O 4243 C CB . SER C 174 ? 0.3495 0.6964 0.4644 -0.0739 0.0611 -0.1561 175 SER C CB 4244 O OG . SER C 174 ? 0.3697 0.7026 0.4834 -0.0764 0.0486 -0.1332 175 SER C OG 4245 N N . ASN C 175 ? 0.3960 0.7459 0.4338 -0.0847 0.0558 -0.1705 176 ASN C N 4246 C CA . ASN C 175 ? 0.4052 0.7645 0.4065 -0.0864 0.0488 -0.1599 176 ASN C CA 4247 C C . ASN C 175 ? 0.3900 0.7485 0.3730 -0.0871 0.0625 -0.1315 176 ASN C C 4248 O O . ASN C 175 ? 0.4019 0.7628 0.3913 -0.0886 0.0808 -0.1297 176 ASN C O 4249 C CB . ASN C 175 ? 0.4461 0.8174 0.4018 -0.0786 0.0486 -0.1824 176 ASN C CB 4250 C CG . ASN C 175 ? 0.4726 0.8424 0.4426 -0.0806 0.0286 -0.2182 176 ASN C CG 4251 O OD1 . ASN C 175 ? 0.4783 0.8417 0.4915 -0.0912 0.0133 -0.2198 176 ASN C OD1 4252 N ND2 . ASN C 175 ? 0.5026 0.8758 0.4344 -0.0715 0.0313 -0.2484 176 ASN C ND2 4253 N N . SER C 176 ? 0.3752 0.7312 0.3415 -0.0861 0.0549 -0.1123 177 SER C N 4254 C CA . SER C 176 ? 0.3794 0.7234 0.3227 -0.0858 0.0686 -0.0879 177 SER C CA 4255 C C . SER C 176 ? 0.3993 0.7438 0.3091 -0.0743 0.0590 -0.0733 177 SER C C 4256 O O . SER C 176 ? 0.3875 0.7497 0.3108 -0.0699 0.0382 -0.0815 177 SER C O 4257 C CB . SER C 176 ? 0.3532 0.6825 0.3256 -0.0927 0.0689 -0.0772 177 SER C CB 4258 O OG . SER C 176 ? 0.3728 0.7007 0.3624 -0.0908 0.0547 -0.0749 177 SER C OG 4259 N N . ALA C 177 ? 0.4252 0.7503 0.2974 -0.0689 0.0744 -0.0515 178 ALA C N 4260 C CA . ALA C 177 ? 0.4448 0.7620 0.2875 -0.0518 0.0659 -0.0311 178 ALA C CA 4261 C C . ALA C 177 ? 0.4620 0.7383 0.2905 -0.0547 0.0889 -0.0071 178 ALA C C 4262 O O . ALA C 177 ? 0.4782 0.7391 0.3087 -0.0702 0.1119 -0.0068 178 ALA C O 4263 C CB . ALA C 177 ? 0.5055 0.8342 0.2922 -0.0330 0.0565 -0.0306 178 ALA C CB 4264 N N . VAL C 178 ? 0.4636 0.7234 0.2853 -0.0403 0.0835 0.0098 179 VAL C N 4265 C CA . VAL C 178 ? 0.4710 0.6839 0.2873 -0.0439 0.1023 0.0260 179 VAL C CA 4266 C C . VAL C 178 ? 0.5390 0.7195 0.3050 -0.0189 0.1081 0.0547 179 VAL C C 4267 O O . VAL C 178 ? 0.5562 0.7605 0.3102 0.0069 0.0866 0.0600 179 VAL C O 4268 C CB . VAL C 178 ? 0.4432 0.6569 0.2942 -0.0434 0.0931 0.0188 179 VAL C CB 4269 C CG1 . VAL C 178 ? 0.4515 0.6124 0.2935 -0.0458 0.1091 0.0271 179 VAL C CG1 4270 C CG2 . VAL C 178 ? 0.3877 0.6291 0.2774 -0.0610 0.0848 -0.0033 179 VAL C CG2 4271 N N . ALA C 179 ? 0.5859 0.7123 0.3258 -0.0261 0.1363 0.0732 180 ALA C N 4272 C CA . ALA C 179 ? 0.6605 0.7366 0.3492 -0.0001 0.1464 0.1064 180 ALA C CA 4273 C C . ALA C 179 ? 0.6899 0.7014 0.3903 -0.0105 0.1678 0.1134 180 ALA C C 4274 O O . ALA C 179 ? 0.6614 0.6637 0.3975 -0.0444 0.1810 0.0951 180 ALA C O 4275 C CB . ALA C 179 ? 0.7367 0.7929 0.3651 0.0032 0.1676 0.1284 180 ALA C CB 4276 N N . TRP C 180 ? 0.7482 0.7163 0.4212 0.0206 0.1678 0.1364 181 TRP C N 4277 C CA . TRP C 180 ? 0.8190 0.7080 0.4915 0.0159 0.1908 0.1441 181 TRP C CA 4278 C C . TRP C 180 ? 0.9309 0.7611 0.5519 0.0584 0.1973 0.1826 181 TRP C C 4279 O O . TRP C 180 ? 0.9484 0.8113 0.5383 0.0950 0.1765 0.2005 181 TRP C O 4280 C CB . TRP C 180 ? 0.7637 0.6613 0.4804 0.0103 0.1792 0.1138 181 TRP C CB 4281 C CG . TRP C 180 ? 0.7366 0.6653 0.4592 0.0502 0.1583 0.1159 181 TRP C CG 4282 C CD1 . TRP C 180 ? 0.7758 0.6599 0.4875 0.0846 0.1635 0.1282 181 TRP C CD1 4283 C CD2 . TRP C 180 ? 0.6503 0.6638 0.4010 0.0600 0.1318 0.1043 181 TRP C CD2 4284 N NE1 . TRP C 180 ? 0.7220 0.6683 0.4594 0.1158 0.1424 0.1249 181 TRP C NE1 4285 C CE2 . TRP C 180 ? 0.6531 0.6787 0.4168 0.0984 0.1229 0.1102 181 TRP C CE2 4286 C CE3 . TRP C 180 ? 0.6027 0.6809 0.3745 0.0397 0.1165 0.0878 181 TRP C CE3 4287 C CZ2 . TRP C 180 ? 0.6024 0.7087 0.4077 0.1117 0.1003 0.1000 181 TRP C CZ2 4288 C CZ3 . TRP C 180 ? 0.5590 0.7062 0.3653 0.0526 0.0930 0.0773 181 TRP C CZ3 4289 C CH2 . TRP C 180 ? 0.5559 0.7192 0.3824 0.0856 0.0858 0.0834 181 TRP C CH2 4290 N N . SER C 181 ? 1.0292 0.7706 0.6420 0.0548 0.2236 0.1931 182 SER C N 4291 C CA . SER C 181 ? 1.1631 0.8294 0.7255 0.0976 0.2345 0.2332 182 SER C CA 4292 C C . SER C 181 ? 1.2425 0.8171 0.8169 0.0949 0.2560 0.2275 182 SER C C 4293 O O . SER C 181 ? 1.2565 0.7882 0.8549 0.0485 0.2791 0.2086 182 SER C O 4294 C CB . SER C 181 ? 1.2488 0.8675 0.7469 0.0982 0.2612 0.2757 182 SER C CB 4295 O OG . SER C 181 ? 1.3538 0.9007 0.7933 0.1489 0.2665 0.3201 182 SER C OG 4296 N N . ASN C 182 ? 1.3180 0.8633 0.8786 0.1461 0.2474 0.2416 183 ASN C N 4297 C CA . ASN C 182 ? 1.4075 0.8597 0.9746 0.1532 0.2672 0.2326 183 ASN C CA 4298 C C . ASN C 182 ? 1.5493 0.8737 1.0761 0.1447 0.3069 0.2663 183 ASN C C 4299 O O . ASN C 182 ? 1.6387 0.8668 1.1594 0.1610 0.3248 0.2677 183 ASN C O 4300 C CB . ASN C 182 ? 1.4214 0.8881 0.9945 0.2157 0.2490 0.2353 183 ASN C CB 4301 C CG . ASN C 182 ? 1.3374 0.8915 0.9641 0.2101 0.2292 0.1899 183 ASN C CG 4302 O OD1 . ASN C 182 ? 1.2493 0.9016 0.9014 0.1912 0.2078 0.1758 183 ASN C OD1 4303 N ND2 . ASN C 182 ? 1.3771 0.8890 1.0166 0.2284 0.2401 0.1678 183 ASN C ND2 4304 N N . LYS C 183 ? 1.5881 0.9076 1.0866 0.1201 0.3248 0.2940 184 LYS C N 4305 C CA . LYS C 183 ? 1.7202 0.9222 1.1922 0.0941 0.3730 0.3236 184 LYS C CA 4306 C C . LYS C 183 ? 1.6871 0.8906 1.2229 0.0176 0.3922 0.2807 184 LYS C C 4307 O O . LYS C 183 ? 1.5727 0.8688 1.1597 -0.0070 0.3642 0.2335 184 LYS C O 4308 C CB . LYS C 183 ? 1.7921 0.9810 1.1907 0.1134 0.3900 0.3820 184 LYS C CB 4309 C CG . LYS C 183 ? 1.9009 1.0386 1.2263 0.1907 0.3797 0.4337 184 LYS C CG 4310 C CD . LYS C 183 ? 2.0544 1.1067 1.2904 0.2021 0.4191 0.5001 184 LYS C CD 4311 C CE . LYS C 183 ? 2.2005 1.1368 1.3702 0.2691 0.4273 0.5545 184 LYS C CE 4312 N NZ . LYS C 183 ? 2.3449 1.1766 1.4191 0.2768 0.4750 0.6245 184 LYS C NZ 4313 N N . SER C 184 ? 1.8022 0.9023 1.3392 -0.0184 0.4389 0.2969 185 SER C N 4314 C CA . SER C 184 ? 1.7808 0.8884 1.3898 -0.0937 0.4581 0.2580 185 SER C CA 4315 C C . SER C 184 ? 1.8252 0.9305 1.4276 -0.1288 0.5028 0.2934 185 SER C C 4316 O O . SER C 184 ? 1.7660 0.9329 1.4357 -0.1836 0.5094 0.2614 185 SER C O 4317 C CB . SER C 184 ? 1.8612 0.8637 1.5085 -0.1226 0.4740 0.2261 185 SER C CB 4318 O OG . SER C 184 ? 2.0122 0.8766 1.6318 -0.1291 0.5268 0.2703 185 SER C OG 4319 N N . ASP C 185 ? 1.9340 0.9721 1.4532 -0.0929 0.5334 0.3597 186 ASP C N 4320 C CA . ASP C 185 ? 1.9875 1.0224 1.4758 -0.1144 0.5810 0.4016 186 ASP C CA 4321 C C . ASP C 185 ? 1.9039 1.0565 1.3487 -0.0851 0.5528 0.4085 186 ASP C C 4322 O O . ASP C 185 ? 1.9868 1.1191 1.3435 -0.0557 0.5756 0.4610 186 ASP C O 4323 C CB . ASP C 185 ? 2.1788 1.0666 1.5864 -0.0924 0.6352 0.4733 186 ASP C CB 4324 C CG . ASP C 185 ? 2.2365 1.0911 1.5427 -0.0049 0.6050 0.5178 186 ASP C CG 4325 O OD1 . ASP C 185 ? 2.1418 1.0728 1.4590 0.0336 0.5449 0.4867 186 ASP C OD1 4326 O OD2 . ASP C 185 ? 2.3848 1.1362 1.6015 0.0265 0.6430 0.5861 186 ASP C OD2 4327 N N . PHE C 186 ? 1.7513 1.0203 1.2546 -0.0933 0.5036 0.3534 187 PHE C N 4328 C CA . PHE C 186 ? 1.6541 1.0387 1.1366 -0.0721 0.4700 0.3442 187 PHE C CA 4329 C C . PHE C 186 ? 1.5392 1.0160 1.1116 -0.1258 0.4664 0.2932 187 PHE C C 4330 O O . PHE C 186 ? 1.4787 0.9688 1.1302 -0.1577 0.4504 0.2484 187 PHE C O 4331 C CB . PHE C 186 ? 1.5852 1.0176 1.0521 -0.0190 0.4091 0.3302 187 PHE C CB 4332 C CG . PHE C 186 ? 1.4468 1.0065 0.9451 -0.0191 0.3657 0.2914 187 PHE C CG 4333 C CD1 . PHE C 186 ? 1.3362 0.9534 0.9163 -0.0487 0.3408 0.2384 187 PHE C CD1 4334 C CD2 . PHE C 186 ? 1.4361 1.0511 0.8764 0.0128 0.3481 0.3073 187 PHE C CD2 4335 C CE1 . PHE C 186 ? 1.2307 0.9522 0.8378 -0.0477 0.3046 0.2073 187 PHE C CE1 4336 C CE2 . PHE C 186 ? 1.3169 1.0382 0.7900 0.0104 0.3100 0.2695 187 PHE C CE2 4337 C CZ . PHE C 186 ? 1.2199 0.9910 0.7782 -0.0200 0.2906 0.2220 187 PHE C CZ 4338 N N . ALA C 187 ? 1.5162 1.0556 1.0720 -0.1311 0.4792 0.2986 188 ALA C N 4339 C CA . ALA C 187 ? 1.4242 1.0447 1.0670 -0.1788 0.4849 0.2566 188 ALA C CA 4340 C C . ALA C 187 ? 1.3266 1.0526 0.9620 -0.1600 0.4508 0.2341 188 ALA C C 4341 O O . ALA C 187 ? 1.3460 1.0829 0.8990 -0.1163 0.4351 0.2560 188 ALA C O 4342 C CB . ALA C 187 ? 1.5095 1.0933 1.1723 -0.2219 0.5560 0.2786 188 ALA C CB 4343 N N . CYS C 188 ? 1.2281 1.0293 0.9523 -0.1927 0.4376 0.1882 189 CYS C N 4344 C CA . CYS C 188 ? 1.1426 1.0369 0.8752 -0.1804 0.4085 0.1616 189 CYS C CA 4345 C C . CYS C 188 ? 1.1932 1.1055 0.8694 -0.1705 0.4443 0.1823 189 CYS C C 4346 O O . CYS C 188 ? 1.1789 1.1306 0.8014 -0.1372 0.4172 0.1783 189 CYS C O 4347 C CB . CYS C 188 ? 1.0477 1.0071 0.8879 -0.2153 0.3916 0.1131 189 CYS C CB 4348 S SG . CYS C 188 ? 1.0035 0.9690 0.8861 -0.2122 0.3324 0.0780 189 CYS C SG 4349 N N . ALA C 189 ? 1.2591 1.1417 0.9477 -0.2005 0.5069 0.2022 190 ALA C N 4350 C CA . ALA C 189 ? 1.3252 1.2158 0.9494 -0.1905 0.5528 0.2253 190 ALA C CA 4351 C C . ALA C 189 ? 1.4103 1.2534 0.8921 -0.1374 0.5440 0.2670 190 ALA C C 4352 O O . ALA C 189 ? 1.4485 1.3179 0.8557 -0.1126 0.5523 0.2719 190 ALA C O 4353 C CB . ALA C 189 ? 1.4101 1.2642 1.0731 -0.2338 0.6316 0.2475 190 ALA C CB 4354 N N . ASN C 190 ? 1.4445 1.2190 0.8886 -0.1171 0.5248 0.2940 191 ASN C N 4355 C CA . ASN C 190 ? 1.5276 1.2588 0.8448 -0.0611 0.5076 0.3344 191 ASN C CA 4356 C C . ASN C 190 ? 1.4338 1.2262 0.7480 -0.0248 0.4299 0.3044 191 ASN C C 4357 O O . ASN C 190 ? 1.4857 1.2807 0.7072 0.0226 0.4021 0.3216 191 ASN C O 4358 C CB . ASN C 190 ? 1.6351 1.2545 0.9148 -0.0518 0.5309 0.3834 191 ASN C CB 4359 C CG . ASN C 190 ? 1.7292 1.2792 1.0383 -0.0994 0.6106 0.4097 191 ASN C CG 4360 O OD1 . ASN C 190 ? 1.7515 1.2447 1.1248 -0.1285 0.6230 0.4088 191 ASN C OD1 4361 N ND2 . ASN C 190 ? 1.7942 1.3475 1.0582 -0.1085 0.6672 0.4311 191 ASN C ND2 4362 N N . ALA C 191 ? 1.2980 1.1406 0.7147 -0.0477 0.3956 0.2594 192 ALA C N 4363 C CA . ALA C 191 ? 1.2121 1.1016 0.6450 -0.0208 0.3307 0.2344 192 ALA C CA 4364 C C . ALA C 191 ? 1.1991 1.1504 0.5818 0.0095 0.2960 0.2200 192 ALA C C 4365 O O . ALA C 191 ? 1.2247 1.1821 0.5621 0.0499 0.2562 0.2291 192 ALA C O 4366 C CB . ALA C 191 ? 1.0902 1.0228 0.6316 -0.0533 0.3098 0.1900 192 ALA C CB 4367 N N . PHE C 192 ? 1.1737 1.1720 0.5687 -0.0088 0.3101 0.1945 193 PHE C N 4368 C CA . PHE C 192 ? 1.1610 1.2176 0.5186 0.0146 0.2747 0.1684 193 PHE C CA 4369 C C . PHE C 192 ? 1.2879 1.3266 0.5307 0.0384 0.3008 0.1898 193 PHE C C 4370 O O . PHE C 192 ? 1.2923 1.3774 0.5039 0.0505 0.2817 0.1596 193 PHE C O 4371 C CB . PHE C 192 ? 1.0499 1.1709 0.4945 -0.0134 0.2640 0.1183 193 PHE C CB 4372 C CG . PHE C 192 ? 0.9205 1.0633 0.4550 -0.0270 0.2297 0.0966 193 PHE C CG 4373 C CD1 . PHE C 192 ? 0.8557 0.9852 0.4653 -0.0598 0.2495 0.0928 193 PHE C CD1 4374 C CD2 . PHE C 192 ? 0.8708 1.0479 0.4145 -0.0071 0.1781 0.0794 193 PHE C CD2 4375 C CE1 . PHE C 192 ? 0.7900 0.9347 0.4657 -0.0680 0.2183 0.0737 193 PHE C CE1 4376 C CE2 . PHE C 192 ? 0.7888 0.9821 0.4082 -0.0184 0.1542 0.0635 193 PHE C CE2 4377 C CZ . PHE C 192 ? 0.7419 0.9157 0.4184 -0.0464 0.1746 0.0619 193 PHE C CZ 4378 N N . ASN C 193 ? 1.4055 1.3704 0.5803 0.0459 0.3459 0.2415 194 ASN C N 4379 C CA . ASN C 193 ? 1.5550 1.4861 0.5981 0.0735 0.3794 0.2740 194 ASN C CA 4380 C C . ASN C 193 ? 1.6017 1.5676 0.5530 0.1228 0.3208 0.2606 194 ASN C C 4381 O O . ASN C 193 ? 1.6770 1.6569 0.5431 0.1384 0.3325 0.2513 194 ASN C O 4382 C CB . ASN C 193 ? 1.6814 1.5129 0.6564 0.0850 0.4236 0.3412 194 ASN C CB 4383 C CG . ASN C 193 ? 1.7093 1.4981 0.7305 0.0365 0.5056 0.3603 194 ASN C CG 4384 O OD1 . ASN C 193 ? 1.6244 1.4664 0.7427 -0.0052 0.5247 0.3215 194 ASN C OD1 4385 N ND2 . ASN C 193 ? 1.8268 1.5191 0.7841 0.0423 0.5548 0.4207 194 ASN C ND2 4386 N N . ASN C 194 ? 1.5629 1.5454 0.5352 0.1475 0.2580 0.2564 195 ASN C N 4387 C CA . ASN C 194 ? 1.6121 1.6323 0.5119 0.1953 0.1936 0.2438 195 ASN C CA 4388 C C . ASN C 194 ? 1.5403 1.6432 0.4745 0.1857 0.1536 0.1774 195 ASN C C 4389 O O . ASN C 194 ? 1.6010 1.7363 0.4648 0.2209 0.1046 0.1588 195 ASN C O 4390 C CB . ASN C 194 ? 1.5926 1.6125 0.5231 0.2244 0.1429 0.2594 195 ASN C CB 4391 C CG . ASN C 194 ? 1.7030 1.7419 0.5330 0.2857 0.0842 0.2681 195 ASN C CG 4392 O OD1 . ASN C 194 ? 1.8333 1.8349 0.5256 0.3187 0.0979 0.2972 195 ASN C OD1 4393 N ND2 . ASN C 194 ? 1.6479 1.7481 0.5473 0.3023 0.0184 0.2424 195 ASN C ND2 4394 N N . SER C 195 ? 1.4229 1.5564 0.4629 0.1401 0.1727 0.1409 196 SER C N 4395 C CA . SER C 195 ? 1.3636 1.5603 0.4399 0.1287 0.1443 0.0798 196 SER C CA 4396 C C . SER C 195 ? 1.4294 1.6185 0.4493 0.1212 0.1956 0.0683 196 SER C C 4397 O O . SER C 195 ? 1.4621 1.6112 0.4733 0.1049 0.2617 0.1008 196 SER C O 4398 C CB . SER C 195 ? 1.2082 1.4407 0.4301 0.0902 0.1320 0.0475 196 SER C CB 4399 O OG . SER C 195 ? 1.1369 1.3797 0.4131 0.0969 0.0916 0.0555 196 SER C OG 4400 N N . ILE C 196 ? 1.4539 1.6815 0.4406 0.1324 0.1674 0.0195 197 ILE C N 4401 C CA . ILE C 196 ? 1.4895 1.7218 0.4536 0.1221 0.2143 -0.0072 197 ILE C CA 4402 C C . ILE C 196 ? 1.3530 1.6149 0.4664 0.0801 0.2275 -0.0373 197 ILE C C 4403 O O . ILE C 196 ? 1.2832 1.5825 0.4652 0.0714 0.1838 -0.0844 197 ILE C O 4404 C CB . ILE C 196 ? 1.5795 1.8341 0.4458 0.1521 0.1797 -0.0544 197 ILE C CB 4405 C CG1 . ILE C 196 ? 1.7308 1.9583 0.4425 0.2000 0.1565 -0.0218 197 ILE C CG1 4406 C CG2 . ILE C 196 ? 1.6282 1.8823 0.4663 0.1460 0.2379 -0.0814 197 ILE C CG2 4407 C CD1 . ILE C 196 ? 1.8307 2.0767 0.4230 0.2344 0.1183 -0.0690 197 ILE C CD1 4408 N N . ILE C 197 ? 1.3219 1.5640 0.4871 0.0544 0.2853 -0.0074 198 ILE C N 4409 C CA . ILE C 197 ? 1.1992 1.4691 0.4986 0.0189 0.3001 -0.0302 198 ILE C CA 4410 C C . ILE C 197 ? 1.2345 1.5184 0.5286 0.0146 0.3571 -0.0497 198 ILE C C 4411 O O . ILE C 197 ? 1.3483 1.6077 0.5447 0.0293 0.4038 -0.0273 198 ILE C O 4412 C CB . ILE C 197 ? 1.1372 1.3859 0.5151 -0.0084 0.3183 0.0062 198 ILE C CB 4413 C CG1 . ILE C 197 ? 1.2206 1.4344 0.5720 -0.0207 0.3918 0.0456 198 ILE C CG1 4414 C CG2 . ILE C 197 ? 1.1153 1.3425 0.4786 0.0040 0.2727 0.0298 198 ILE C CG2 4415 C CD1 . ILE C 197 ? 1.1543 1.3506 0.6010 -0.0554 0.4106 0.0677 198 ILE C CD1 4416 N N . PRO C 198 ? 1.1454 1.4673 0.5416 -0.0017 0.3559 -0.0895 199 PRO C N 4417 C CA . PRO C 198 ? 1.1810 1.5249 0.5812 0.0014 0.4043 -0.1176 199 PRO C CA 4418 C C . PRO C 198 ? 1.2363 1.5722 0.6309 -0.0107 0.4848 -0.0830 199 PRO C C 4419 O O . PRO C 198 ? 1.2091 1.5294 0.6494 -0.0345 0.5025 -0.0448 199 PRO C O 4420 C CB . PRO C 198 ? 1.0675 1.4484 0.6029 -0.0152 0.3838 -0.1527 199 PRO C CB 4421 C CG . PRO C 198 ? 0.9909 1.3654 0.5537 -0.0187 0.3152 -0.1554 199 PRO C CG 4422 C CD . PRO C 198 ? 1.0183 1.3618 0.5279 -0.0195 0.3108 -0.1083 199 PRO C CD 4423 N N . GLU C 199 ? 1.3213 1.6665 0.6630 0.0043 0.5359 -0.0993 200 GLU C N 4424 C CA . GLU C 199 ? 1.3898 1.7338 0.7310 -0.0078 0.6242 -0.0699 200 GLU C CA 4425 C C . GLU C 199 ? 1.2899 1.6679 0.7943 -0.0484 0.6492 -0.0618 200 GLU C C 4426 O O . GLU C 199 ? 1.3240 1.6830 0.8439 -0.0724 0.7004 -0.0198 200 GLU C O 4427 C CB . GLU C 199 ? 1.4755 1.8395 0.7629 0.0158 0.6739 -0.1033 200 GLU C CB 4428 N N . ASP C 200 ? 1.1753 1.5999 0.7995 -0.0555 0.6105 -0.1020 201 ASP C N 4429 C CA . ASP C 200 ? 1.0922 1.5619 0.8724 -0.0878 0.6286 -0.1041 201 ASP C CA 4430 C C . ASP C 200 ? 0.9799 1.4460 0.8414 -0.1105 0.5697 -0.0962 201 ASP C C 4431 O O . ASP C 200 ? 0.8965 1.4090 0.8845 -0.1256 0.5563 -0.1167 201 ASP C O 4432 C CB . ASP C 200 ? 1.0694 1.6028 0.9406 -0.0773 0.6459 -0.1508 201 ASP C CB 4433 C CG . ASP C 200 ? 1.0272 1.5629 0.8927 -0.0498 0.5814 -0.1944 201 ASP C CG 4434 O OD1 . ASP C 200 ? 1.0597 1.6322 0.9721 -0.0318 0.5988 -0.2327 201 ASP C OD1 4435 O OD2 . ASP C 200 ? 0.9719 1.4728 0.7930 -0.0459 0.5185 -0.1915 201 ASP C OD2 4436 N N . THR C 201 ? 0.9819 1.3949 0.7688 -0.1091 0.5349 -0.0678 202 THR C N 4437 C CA . THR C 201 ? 0.8937 1.2960 0.7421 -0.1279 0.4862 -0.0591 202 THR C CA 4438 C C . THR C 201 ? 0.8764 1.2947 0.8300 -0.1657 0.5194 -0.0476 202 THR C C 4439 O O . THR C 201 ? 0.9492 1.3507 0.8903 -0.1827 0.5823 -0.0206 202 THR C O 4440 C CB . THR C 201 ? 0.9218 1.2642 0.6730 -0.1174 0.4568 -0.0267 202 THR C CB 4441 O OG1 . THR C 201 ? 0.9455 1.2845 0.6146 -0.0851 0.4192 -0.0439 202 THR C OG1 4442 C CG2 . THR C 201 ? 0.8270 1.1585 0.6388 -0.1330 0.4106 -0.0225 202 THR C CG2 4443 N N . PHE C 202 ? 0.7829 1.2326 0.8387 -0.1787 0.4770 -0.0694 203 PHE C N 4444 C CA . PHE C 202 ? 0.7597 1.2343 0.9282 -0.2148 0.4918 -0.0705 203 PHE C CA 4445 C C . PHE C 202 ? 0.7713 1.1850 0.9154 -0.2349 0.4790 -0.0420 203 PHE C C 4446 O O . PHE C 202 ? 0.7243 1.1122 0.8392 -0.2232 0.4241 -0.0430 203 PHE C O 4447 C CB . PHE C 202 ? 0.6728 1.2077 0.9488 -0.2123 0.4447 -0.1087 203 PHE C CB 4448 C CG . PHE C 202 ? 0.6554 1.2270 1.0536 -0.2470 0.4451 -0.1190 203 PHE C CG 4449 C CD1 . PHE C 202 ? 0.7029 1.3163 1.1829 -0.2741 0.5060 -0.1205 203 PHE C CD1 4450 C CD2 . PHE C 202 ? 0.6071 1.1743 1.0408 -0.2534 0.3854 -0.1299 203 PHE C CD2 4451 C CE1 . PHE C 202 ? 0.6844 1.3393 1.2916 -0.3104 0.5014 -0.1365 203 PHE C CE1 4452 C CE2 . PHE C 202 ? 0.5978 1.2013 1.1425 -0.2854 0.3779 -0.1467 203 PHE C CE2 4453 C CZ . PHE C 202 ? 0.6215 1.2710 1.2585 -0.3154 0.4328 -0.1519 203 PHE C CZ 4454 N N . PHE C 203 ? 0.8360 1.2233 0.9930 -0.2647 0.5345 -0.0168 204 PHE C N 4455 C CA . PHE C 203 ? 0.8687 1.1891 1.0125 -0.2868 0.5322 0.0088 204 PHE C CA 4456 C C . PHE C 203 ? 0.8638 1.2110 1.1406 -0.3344 0.5484 -0.0079 204 PHE C C 4457 O O . PHE C 203 ? 0.9278 1.2676 1.2402 -0.3653 0.6147 0.0088 204 PHE C O 4458 C CB . PHE C 203 ? 0.9833 1.2273 1.0182 -0.2822 0.5863 0.0588 204 PHE C CB 4459 C CG . PHE C 203 ? 1.0057 1.2153 0.9036 -0.2357 0.5606 0.0769 204 PHE C CG 4460 C CD1 . PHE C 203 ? 1.0336 1.2679 0.8645 -0.2080 0.5801 0.0737 204 PHE C CD1 4461 C CD2 . PHE C 203 ? 0.9855 1.1403 0.8238 -0.2184 0.5169 0.0940 204 PHE C CD2 4462 C CE1 . PHE C 203 ? 1.0619 1.2696 0.7704 -0.1665 0.5495 0.0842 204 PHE C CE1 4463 C CE2 . PHE C 203 ? 1.0022 1.1367 0.7278 -0.1756 0.4889 0.1076 204 PHE C CE2 4464 C CZ . PHE C 203 ? 1.0361 1.1982 0.6976 -0.1510 0.5017 0.1014 204 PHE C CZ 4465 N N . PRO C 204 ? 0.7940 1.1719 1.1443 -0.3413 0.4886 -0.0415 205 PRO C N 4466 C CA . PRO C 204 ? 0.7953 1.2044 1.2748 -0.3862 0.4913 -0.0658 205 PRO C CA 4467 C C . PRO C 204 ? 0.8640 1.1876 1.3279 -0.4182 0.5097 -0.0445 205 PRO C C 4468 O O . PRO C 204 ? 0.8870 1.1328 1.2463 -0.3972 0.4932 -0.0193 205 PRO C O 4469 C CB . PRO C 204 ? 0.7078 1.1630 1.2329 -0.3714 0.4126 -0.1050 205 PRO C CB 4470 C CG . PRO C 204 ? 0.6866 1.0914 1.0913 -0.3315 0.3748 -0.0886 205 PRO C CG 4471 C CD . PRO C 204 ? 0.7196 1.1024 1.0341 -0.3089 0.4168 -0.0582 205 PRO C CD 4472 N N . SER C 205 ? 0.9006 1.2392 1.4751 -0.4683 0.5432 -0.0569 206 SER C N 4473 C CA . SER C 205 ? 0.9795 1.2298 1.5524 -0.5039 0.5630 -0.0420 206 SER C CA 4474 C C . SER C 205 ? 0.9539 1.2279 1.6342 -0.5374 0.5118 -0.0920 206 SER C C 4475 O O . SER C 205 ? 1.0092 1.2787 1.7903 -0.5910 0.5423 -0.1057 206 SER C O 4476 C CB . SER C 205 ? 1.0796 1.2969 1.6746 -0.5407 0.6572 -0.0069 206 SER C CB 4477 O OG . SER C 205 ? 1.0600 1.3793 1.7698 -0.5612 0.6928 -0.0277 206 SER C OG 4483 N N . ALA D 4 ? 1.0424 0.7501 0.9057 -0.0145 -0.3015 0.0775 3 ALA D N 4484 C CA . ALA D 4 ? 0.9765 0.7090 0.8643 -0.0171 -0.2973 0.0675 3 ALA D CA 4485 C C . ALA D 4 ? 0.9347 0.6641 0.7534 -0.0241 -0.2542 0.0503 3 ALA D C 4486 O O . ALA D 4 ? 0.9998 0.6782 0.7184 -0.0381 -0.2506 0.0480 3 ALA D O 4487 C CB . ALA D 4 ? 1.0483 0.7442 0.9269 -0.0305 -0.3588 0.0789 3 ALA D CB 4488 N N . VAL D 5 ? 0.8097 0.5897 0.6841 -0.0151 -0.2216 0.0389 4 VAL D N 4489 C CA . VAL D 5 ? 0.7312 0.5171 0.5657 -0.0184 -0.1825 0.0240 4 VAL D CA 4490 C C . VAL D 5 ? 0.6916 0.4958 0.5592 -0.0212 -0.1878 0.0184 4 VAL D C 4491 O O . VAL D 5 ? 0.6385 0.4811 0.5894 -0.0131 -0.1930 0.0219 4 VAL D O 4492 C CB . VAL D 5 ? 0.6747 0.5003 0.5410 -0.0056 -0.1385 0.0173 4 VAL D CB 4493 C CG1 . VAL D 5 ? 0.6143 0.4456 0.4495 -0.0084 -0.1029 0.0042 4 VAL D CG1 4494 C CG2 . VAL D 5 ? 0.6868 0.4966 0.5338 -0.0024 -0.1361 0.0233 4 VAL D CG2 4495 N N . THR D 6 ? 0.6933 0.4675 0.4976 -0.0332 -0.1827 0.0090 5 THR D N 4496 C CA . THR D 6 ? 0.6653 0.4501 0.4934 -0.0375 -0.1876 0.0028 5 THR D CA 4497 C C . THR D 6 ? 0.6202 0.4175 0.4330 -0.0359 -0.1441 -0.0112 5 THR D C 4498 O O . THR D 6 ? 0.6232 0.4075 0.3914 -0.0359 -0.1158 -0.0176 5 THR D O 4499 C CB . THR D 6 ? 0.7528 0.4828 0.5267 -0.0553 -0.2324 0.0044 5 THR D CB 4500 O OG1 . THR D 6 ? 0.8287 0.5000 0.4932 -0.0682 -0.2204 -0.0038 5 THR D OG1 4501 C CG2 . THR D 6 ? 0.7648 0.4822 0.5675 -0.0572 -0.2865 0.0220 5 THR D CG2 4502 N N . GLN D 7 ? 0.5710 0.3927 0.4272 -0.0349 -0.1399 -0.0151 6 GLN D N 4503 C CA . GLN D 7 ? 0.5327 0.3682 0.3878 -0.0319 -0.1040 -0.0254 6 GLN D CA 4504 C C . GLN D 7 ? 0.5609 0.3830 0.4148 -0.0407 -0.1137 -0.0320 6 GLN D C 4505 O O . GLN D 7 ? 0.5788 0.4096 0.4738 -0.0439 -0.1412 -0.0261 6 GLN D O 4506 C CB . GLN D 7 ? 0.4626 0.3493 0.3834 -0.0188 -0.0815 -0.0210 6 GLN D CB 4507 C CG . GLN D 7 ? 0.4260 0.3228 0.3372 -0.0108 -0.0590 -0.0205 6 GLN D CG 4508 C CD . GLN D 7 ? 0.3823 0.3180 0.3434 -0.0009 -0.0403 -0.0166 6 GLN D CD 4509 O OE1 . GLN D 7 ? 0.3708 0.3190 0.3537 0.0051 -0.0400 -0.0116 6 GLN D OE1 4510 N NE2 . GLN D 7 ? 0.3862 0.3347 0.3598 -0.0004 -0.0242 -0.0191 6 GLN D NE2 4511 N N . SER D 8 ? 0.5777 0.3787 0.3930 -0.0447 -0.0907 -0.0445 7 SER D N 4512 C CA . SER D 8 ? 0.5938 0.3860 0.4177 -0.0512 -0.0952 -0.0517 7 SER D CA 4513 C C . SER D 8 ? 0.5739 0.3699 0.3991 -0.0469 -0.0587 -0.0621 7 SER D C 4514 O O . SER D 8 ? 0.5718 0.3590 0.3701 -0.0439 -0.0327 -0.0677 7 SER D O 4515 C CB . SER D 8 ? 0.6820 0.4162 0.4421 -0.0682 -0.1245 -0.0586 7 SER D CB 4516 O OG . SER D 8 ? 0.7669 0.4544 0.4451 -0.0747 -0.1080 -0.0678 7 SER D OG 4517 N N . PRO D 9 ? 0.5540 0.3646 0.4200 -0.0465 -0.0573 -0.0632 8 PRO D N 4518 C CA . PRO D 9 ? 0.5309 0.3585 0.4431 -0.0500 -0.0845 -0.0547 8 PRO D CA 4519 C C . PRO D 9 ? 0.4740 0.3492 0.4448 -0.0399 -0.0831 -0.0396 8 PRO D C 4520 O O . PRO D 9 ? 0.4648 0.3586 0.4369 -0.0305 -0.0622 -0.0365 8 PRO D O 4521 C CB . PRO D 9 ? 0.5221 0.3515 0.4595 -0.0512 -0.0724 -0.0599 8 PRO D CB 4522 C CG . PRO D 9 ? 0.5078 0.3473 0.4453 -0.0413 -0.0388 -0.0629 8 PRO D CG 4523 C CD . PRO D 9 ? 0.5375 0.3498 0.4171 -0.0425 -0.0293 -0.0714 8 PRO D CD 4524 N N . ARG D 10 ? 0.4657 0.3573 0.4860 -0.0429 -0.1042 -0.0312 9 ARG D N 4525 C CA . ARG D 10 ? 0.4246 0.3572 0.5057 -0.0346 -0.0954 -0.0193 9 ARG D CA 4526 C C . ARG D 10 ? 0.3898 0.3461 0.5065 -0.0316 -0.0692 -0.0152 9 ARG D C 4527 O O . ARG D 10 ? 0.3513 0.3331 0.4967 -0.0250 -0.0494 -0.0075 9 ARG D O 4528 C CB . ARG D 10 ? 0.4387 0.3777 0.5698 -0.0397 -0.1270 -0.0121 9 ARG D CB 4529 C CG . ARG D 10 ? 0.5341 0.4485 0.6281 -0.0414 -0.1552 -0.0114 9 ARG D CG 4530 C CD . ARG D 10 ? 0.5341 0.4684 0.6348 -0.0289 -0.1379 -0.0060 9 ARG D CD 4531 N NE . ARG D 10 ? 0.6232 0.5765 0.7961 -0.0267 -0.1597 0.0042 9 ARG D NE 4532 C CZ . ARG D 10 ? 0.6340 0.6254 0.8839 -0.0194 -0.1380 0.0095 9 ARG D CZ 4533 N NH1 . ARG D 10 ? 0.6147 0.6244 0.8641 -0.0148 -0.0964 0.0069 9 ARG D NH1 4534 N NH2 . ARG D 10 ? 0.6069 0.6140 0.9341 -0.0175 -0.1577 0.0178 9 ARG D NH2 4535 N N . ASN D 11 ? 0.3868 0.3280 0.4953 -0.0375 -0.0688 -0.0204 10 ASN D N 4536 C CA . ASN D 11 ? 0.3755 0.3312 0.5148 -0.0371 -0.0501 -0.0142 10 ASN D CA 4537 C C . ASN D 11 ? 0.3796 0.3102 0.4934 -0.0405 -0.0482 -0.0232 10 ASN D C 4538 O O . ASN D 11 ? 0.4126 0.3161 0.5060 -0.0482 -0.0651 -0.0337 10 ASN D O 4539 C CB . ASN D 11 ? 0.3823 0.3545 0.5841 -0.0437 -0.0583 -0.0061 10 ASN D CB 4540 C CG . ASN D 11 ? 0.4077 0.3956 0.6397 -0.0438 -0.0319 0.0042 10 ASN D CG 4541 O OD1 . ASN D 11 ? 0.4164 0.3922 0.6330 -0.0455 -0.0233 0.0049 10 ASN D OD1 4542 N ND2 . ASN D 11 ? 0.3811 0.3917 0.6574 -0.0431 -0.0177 0.0128 10 ASN D ND2 4543 N N . LYS D 12 ? 0.3547 0.2894 0.4677 -0.0353 -0.0285 -0.0194 11 LYS D N 4544 C CA . LYS D 12 ? 0.3677 0.2796 0.4656 -0.0355 -0.0237 -0.0283 11 LYS D CA 4545 C C . LYS D 12 ? 0.3565 0.2752 0.4795 -0.0334 -0.0126 -0.0167 11 LYS D C 4546 O O . LYS D 12 ? 0.3273 0.2610 0.4506 -0.0285 -0.0031 -0.0053 11 LYS D O 4547 C CB . LYS D 12 ? 0.3769 0.2766 0.4375 -0.0293 -0.0138 -0.0387 11 LYS D CB 4548 C CG . LYS D 12 ? 0.4063 0.2828 0.4629 -0.0278 -0.0016 -0.0497 11 LYS D CG 4549 C CD . LYS D 12 ? 0.4569 0.3005 0.5016 -0.0375 -0.0091 -0.0636 11 LYS D CD 4550 C CE . LYS D 12 ? 0.5320 0.3423 0.5501 -0.0363 0.0104 -0.0828 11 LYS D CE 4551 N NZ . LYS D 12 ? 0.5868 0.3600 0.5982 -0.0445 0.0103 -0.0977 11 LYS D NZ 4552 N N . VAL D 13 ? 0.3679 0.2703 0.5074 -0.0390 -0.0165 -0.0193 12 VAL D N 4553 C CA . VAL D 13 ? 0.3757 0.2736 0.5349 -0.0375 -0.0098 -0.0093 12 VAL D CA 4554 C C . VAL D 13 ? 0.3945 0.2700 0.5489 -0.0320 -0.0048 -0.0225 12 VAL D C 4555 O O . VAL D 13 ? 0.4145 0.2669 0.5570 -0.0358 -0.0059 -0.0403 12 VAL D O 4556 C CB . VAL D 13 ? 0.3934 0.2871 0.5843 -0.0478 -0.0153 -0.0015 12 VAL D CB 4557 C CG1 . VAL D 13 ? 0.3876 0.2695 0.5944 -0.0473 -0.0109 0.0111 12 VAL D CG1 4558 C CG2 . VAL D 13 ? 0.3546 0.2711 0.5636 -0.0535 -0.0130 0.0104 12 VAL D CG2 4559 N N . ALA D 14 ? 0.3875 0.2665 0.5522 -0.0240 0.0007 -0.0140 13 ALA D N 4560 C CA . ALA D 14 ? 0.3919 0.2557 0.5701 -0.0166 0.0090 -0.0250 13 ALA D CA 4561 C C . ALA D 14 ? 0.3959 0.2555 0.6116 -0.0126 0.0032 -0.0090 13 ALA D C 4562 O O . ALA D 14 ? 0.3910 0.2577 0.6049 -0.0159 -0.0064 0.0117 13 ALA D O 4563 C CB . ALA D 14 ? 0.3884 0.2626 0.5500 -0.0099 0.0175 -0.0309 13 ALA D CB 4564 N N . VAL D 15 ? 0.4151 0.2587 0.6643 -0.0062 0.0097 -0.0184 14 VAL D N 4565 C CA . VAL D 15 ? 0.4187 0.2544 0.7136 -0.0015 -0.0012 -0.0023 14 VAL D CA 4566 C C . VAL D 15 ? 0.4136 0.2587 0.7371 0.0086 -0.0023 0.0007 14 VAL D C 4567 O O . VAL D 15 ? 0.4127 0.2629 0.7345 0.0129 0.0153 -0.0172 14 VAL D O 4568 C CB . VAL D 15 ? 0.4416 0.2505 0.7727 -0.0010 0.0050 -0.0140 14 VAL D CB 4569 C CG1 . VAL D 15 ? 0.4442 0.2401 0.7999 0.0071 0.0293 -0.0404 14 VAL D CG1 4570 C CG2 . VAL D 15 ? 0.4434 0.2410 0.8177 0.0006 -0.0138 0.0093 14 VAL D CG2 4571 N N . THR D 16 ? 0.4266 0.2706 0.7748 0.0106 -0.0247 0.0243 15 THR D N 4572 C CA . THR D 16 ? 0.4325 0.2838 0.8225 0.0194 -0.0346 0.0303 15 THR D CA 4573 C C . THR D 16 ? 0.4283 0.2755 0.8819 0.0294 -0.0127 0.0084 15 THR D C 4574 O O . THR D 16 ? 0.4500 0.2786 0.9399 0.0318 -0.0045 0.0006 15 THR D O 4575 C CB . THR D 16 ? 0.4594 0.2971 0.8730 0.0185 -0.0699 0.0603 15 THR D CB 4576 O OG1 . THR D 16 ? 0.5025 0.3379 0.8468 0.0076 -0.0838 0.0792 15 THR D OG1 4577 C CG2 . THR D 16 ? 0.4480 0.2917 0.9201 0.0270 -0.0871 0.0667 15 THR D CG2 4578 N N . GLY D 17 ? 0.4158 0.2775 0.8825 0.0343 0.0008 -0.0025 16 GLY D N 4579 C CA . GLY D 17 ? 0.4332 0.2895 0.9622 0.0428 0.0304 -0.0245 16 GLY D CA 4580 C C . GLY D 17 ? 0.4500 0.2915 0.9348 0.0388 0.0708 -0.0554 16 GLY D C 4581 O O . GLY D 17 ? 0.4767 0.3058 1.0001 0.0436 0.1039 -0.0767 16 GLY D O 4582 N N . GLY D 18 ? 0.4550 0.2928 0.8600 0.0290 0.0680 -0.0577 17 GLY D N 4583 C CA . GLY D 18 ? 0.4934 0.3112 0.8413 0.0223 0.0965 -0.0837 17 GLY D CA 4584 C C . GLY D 18 ? 0.4966 0.3264 0.8084 0.0210 0.1092 -0.0894 17 GLY D C 4585 O O . GLY D 18 ? 0.4623 0.3195 0.7820 0.0238 0.0918 -0.0723 17 GLY D O 4586 N N . LYS D 19 ? 0.5332 0.3360 0.8006 0.0152 0.1395 -0.1136 18 LYS D N 4587 C CA . LYS D 19 ? 0.5410 0.3466 0.7643 0.0118 0.1525 -0.1190 18 LYS D CA 4588 C C . LYS D 19 ? 0.5307 0.3373 0.6795 0.0027 0.1288 -0.1125 18 LYS D C 4589 O O . LYS D 19 ? 0.5511 0.3355 0.6672 -0.0046 0.1220 -0.1192 18 LYS D O 4590 C CB . LYS D 19 ? 0.6010 0.3665 0.8018 0.0072 0.1979 -0.1472 18 LYS D CB 4591 C CG . LYS D 19 ? 0.6550 0.4187 0.8129 0.0027 0.2158 -0.1516 18 LYS D CG 4592 C CD . LYS D 19 ? 0.7708 0.4814 0.8865 -0.0057 0.2651 -0.1803 18 LYS D CD 4593 C CE . LYS D 19 ? 0.8136 0.5196 0.9001 -0.0101 0.2900 -0.1838 18 LYS D CE 4594 N NZ . LYS D 19 ? 0.8927 0.5484 0.9698 -0.0160 0.3499 -0.2119 18 LYS D NZ 4595 N N . VAL D 20 ? 0.4928 0.3250 0.6228 0.0032 0.1150 -0.0994 19 VAL D N 4596 C CA . VAL D 20 ? 0.4846 0.3190 0.5554 -0.0040 0.0956 -0.0939 19 VAL D CA 4597 C C . VAL D 20 ? 0.4953 0.3262 0.5252 -0.0065 0.1063 -0.0981 19 VAL D C 4598 O O . VAL D 20 ? 0.4638 0.3142 0.5217 -0.0006 0.1136 -0.0927 19 VAL D O 4599 C CB . VAL D 20 ? 0.4512 0.3191 0.5414 -0.0011 0.0666 -0.0708 19 VAL D CB 4600 C CG1 . VAL D 20 ? 0.4197 0.2947 0.4669 -0.0066 0.0513 -0.0654 19 VAL D CG1 4601 C CG2 . VAL D 20 ? 0.4583 0.3226 0.5789 -0.0017 0.0561 -0.0652 19 VAL D CG2 4602 N N . THR D 21 ? 0.5330 0.3361 0.4967 -0.0164 0.1033 -0.1064 20 THR D N 4603 C CA . THR D 21 ? 0.5506 0.3438 0.4667 -0.0205 0.1088 -0.1078 20 THR D CA 4604 C C . THR D 21 ? 0.5414 0.3467 0.4300 -0.0236 0.0759 -0.0949 20 THR D C 4605 O O . THR D 21 ? 0.5614 0.3530 0.4308 -0.0303 0.0562 -0.0957 20 THR D O 4606 C CB . THR D 21 ? 0.6264 0.3628 0.4775 -0.0321 0.1346 -0.1285 20 THR D CB 4607 O OG1 . THR D 21 ? 0.6535 0.3755 0.5405 -0.0291 0.1706 -0.1437 20 THR D OG1 4608 C CG2 . THR D 21 ? 0.6287 0.3502 0.4296 -0.0373 0.1438 -0.1278 20 THR D CG2 4609 N N . LEU D 22 ? 0.5070 0.3360 0.3989 -0.0191 0.0705 -0.0840 21 LEU D N 4610 C CA . LEU D 22 ? 0.4999 0.3396 0.3753 -0.0206 0.0440 -0.0729 21 LEU D CA 4611 C C . LEU D 22 ? 0.5414 0.3564 0.3645 -0.0259 0.0469 -0.0753 21 LEU D C 4612 O O . LEU D 22 ? 0.5369 0.3573 0.3640 -0.0225 0.0656 -0.0756 21 LEU D O 4613 C CB . LEU D 22 ? 0.4471 0.3305 0.3684 -0.0111 0.0361 -0.0579 21 LEU D CB 4614 C CG . LEU D 22 ? 0.4084 0.3134 0.3759 -0.0066 0.0344 -0.0513 21 LEU D CG 4615 C CD1 . LEU D 22 ? 0.3600 0.2939 0.3467 -0.0013 0.0276 -0.0374 21 LEU D CD1 4616 C CD2 . LEU D 22 ? 0.3978 0.2937 0.3699 -0.0123 0.0223 -0.0526 21 LEU D CD2 4617 N N . SER D 23 ? 0.5853 0.3706 0.3607 -0.0353 0.0252 -0.0756 22 SER D N 4618 C CA . SER D 23 ? 0.6415 0.3921 0.3558 -0.0430 0.0234 -0.0759 22 SER D CA 4619 C C . SER D 23 ? 0.6205 0.3894 0.3445 -0.0396 -0.0057 -0.0606 22 SER D C 4620 O O . SER D 23 ? 0.5945 0.3866 0.3560 -0.0367 -0.0317 -0.0523 22 SER D O 4621 C CB . SER D 23 ? 0.7233 0.4122 0.3618 -0.0592 0.0146 -0.0861 22 SER D CB 4622 O OG . SER D 23 ? 0.8064 0.4742 0.4383 -0.0625 0.0436 -0.1028 22 SER D OG 4623 N N . CYS D 24 ? 0.6340 0.3881 0.3259 -0.0410 0.0010 -0.0574 23 CYS D N 4624 C CA . CYS D 24 ? 0.6290 0.3889 0.3226 -0.0387 -0.0251 -0.0441 23 CYS D CA 4625 C C . CYS D 24 ? 0.6966 0.3979 0.3080 -0.0520 -0.0344 -0.0427 23 CYS D C 4626 O O . CYS D 24 ? 0.7361 0.4100 0.3048 -0.0577 -0.0046 -0.0496 23 CYS D O 4627 C CB . CYS D 24 ? 0.5700 0.3713 0.3107 -0.0264 -0.0087 -0.0390 23 CYS D CB 4628 S SG . CYS D 24 ? 0.6137 0.4199 0.3609 -0.0219 -0.0310 -0.0251 23 CYS D SG 4629 N N . ASN D 25 ? 0.7304 0.4098 0.3222 -0.0580 -0.0766 -0.0328 24 ASN D N 4630 C CA . ASN D 25 ? 0.8166 0.4334 0.3243 -0.0722 -0.0966 -0.0266 24 ASN D CA 4631 C C . ASN D 25 ? 0.7927 0.4241 0.3318 -0.0651 -0.1277 -0.0084 24 ASN D C 4632 O O . ASN D 25 ? 0.7364 0.4077 0.3498 -0.0554 -0.1540 -0.0004 24 ASN D O 4633 C CB . ASN D 25 ? 0.8961 0.4556 0.3382 -0.0898 -0.1291 -0.0298 24 ASN D CB 4634 C CG . ASN D 25 ? 1.0375 0.5290 0.3962 -0.1056 -0.1712 -0.0163 24 ASN D CG 4635 O OD1 . ASN D 25 ? 1.0690 0.5761 0.4674 -0.0995 -0.2093 0.0012 24 ASN D OD1 4636 N ND2 . ASN D 25 ? 1.1580 0.5695 0.4007 -0.1265 -0.1644 -0.0247 24 ASN D ND2 4637 N N . GLN D 26 ? 0.8280 0.4258 0.3155 -0.0702 -0.1213 -0.0024 25 GLN D N 4638 C CA . GLN D 26 ? 0.8462 0.4396 0.3474 -0.0666 -0.1555 0.0158 25 GLN D CA 4639 C C . GLN D 26 ? 0.9558 0.4695 0.3524 -0.0848 -0.1752 0.0257 25 GLN D C 4640 O O . GLN D 26 ? 1.0161 0.4875 0.3352 -0.0966 -0.1399 0.0181 25 GLN D O 4641 C CB . GLN D 26 ? 0.7665 0.4113 0.3349 -0.0498 -0.1309 0.0179 25 GLN D CB 4642 C CG . GLN D 26 ? 0.7767 0.4156 0.3141 -0.0520 -0.0828 0.0091 25 GLN D CG 4643 C CD . GLN D 26 ? 0.8222 0.4062 0.2882 -0.0633 -0.0824 0.0182 25 GLN D CD 4644 O OE1 . GLN D 26 ? 0.8355 0.3929 0.2861 -0.0656 -0.1209 0.0344 25 GLN D OE1 4645 N NE2 . GLN D 26 ? 0.8444 0.4117 0.2741 -0.0705 -0.0376 0.0089 25 GLN D NE2 4646 N N . THR D 27 ? 0.9967 0.4875 0.3939 -0.0877 -0.2312 0.0436 26 THR D N 4647 C CA . THR D 27 ? 1.1187 0.5239 0.4079 -0.1074 -0.2611 0.0569 26 THR D CA 4648 C C . THR D 27 ? 1.1248 0.5264 0.4285 -0.1013 -0.2718 0.0745 26 THR D C 4649 O O . THR D 27 ? 1.2138 0.5503 0.4515 -0.1147 -0.3149 0.0925 26 THR D O 4650 C CB . THR D 27 ? 1.1896 0.5526 0.4537 -0.1199 -0.3294 0.0680 26 THR D CB 4651 O OG1 . THR D 27 ? 1.1218 0.5515 0.5165 -0.1016 -0.3619 0.0763 26 THR D OG1 4652 C CG2 . THR D 27 ? 1.2284 0.5594 0.4296 -0.1350 -0.3210 0.0505 26 THR D CG2 4653 N N . ASN D 28 ? 1.0375 0.5024 0.4208 -0.0826 -0.2344 0.0695 27 ASN D N 4654 C CA . ASN D 28 ? 1.0328 0.5064 0.4545 -0.0727 -0.2443 0.0840 27 ASN D CA 4655 C C . ASN D 28 ? 1.0816 0.5104 0.4237 -0.0840 -0.2113 0.0853 27 ASN D C 4656 O O . ASN D 28 ? 1.0846 0.5121 0.4456 -0.0785 -0.2143 0.0967 27 ASN D O 4657 C CB . ASN D 28 ? 0.9216 0.4798 0.4618 -0.0489 -0.2174 0.0753 27 ASN D CB 4658 C CG . ASN D 28 ? 0.8793 0.4858 0.5070 -0.0374 -0.2389 0.0731 27 ASN D CG 4659 O OD1 . ASN D 28 ? 0.9335 0.5268 0.5879 -0.0378 -0.2894 0.0872 27 ASN D OD1 4660 N ND2 . ASN D 28 ? 0.8125 0.4735 0.4895 -0.0279 -0.2023 0.0568 27 ASN D ND2 4661 N N . ASN D 29 ? 1.1328 0.5260 0.3929 -0.0997 -0.1752 0.0723 28 ASN D N 4662 C CA . ASN D 29 ? 1.1758 0.5364 0.3750 -0.1105 -0.1261 0.0680 28 ASN D CA 4663 C C . ASN D 29 ? 1.0717 0.4998 0.3607 -0.0931 -0.0870 0.0608 28 ASN D C 4664 O O . ASN D 29 ? 1.0980 0.5074 0.3673 -0.0977 -0.0636 0.0655 28 ASN D O 4665 C CB . ASN D 29 ? 1.2956 0.5681 0.3911 -0.1299 -0.1498 0.0882 28 ASN D CB 4666 C CG . ASN D 29 ? 1.3922 0.6097 0.3949 -0.1494 -0.0927 0.0807 28 ASN D CG 4667 O OD1 . ASN D 29 ? 1.4073 0.6236 0.3869 -0.1558 -0.0477 0.0605 28 ASN D OD1 4668 N ND2 . ASN D 29 ? 1.4525 0.6242 0.4085 -0.1588 -0.0912 0.0968 28 ASN D ND2 4669 N N . HIS D 30 ? 0.9644 0.4658 0.3472 -0.0750 -0.0811 0.0497 29 HIS D N 4670 C CA . HIS D 30 ? 0.8667 0.4272 0.3265 -0.0606 -0.0482 0.0412 29 HIS D CA 4671 C C . HIS D 30 ? 0.8566 0.4198 0.3023 -0.0676 0.0044 0.0255 29 HIS D C 4672 O O . HIS D 30 ? 0.8715 0.4315 0.2995 -0.0725 0.0191 0.0137 29 HIS D O 4673 C CB . HIS D 30 ? 0.7725 0.3996 0.3252 -0.0416 -0.0612 0.0361 29 HIS D CB 4674 C CG . HIS D 30 ? 0.7613 0.3972 0.3588 -0.0310 -0.1004 0.0497 29 HIS D CG 4675 N ND1 . HIS D 30 ? 0.6698 0.3556 0.3480 -0.0158 -0.1124 0.0469 29 HIS D ND1 4676 C CD2 . HIS D 30 ? 0.8137 0.4129 0.3922 -0.0335 -0.1283 0.0664 29 HIS D CD2 4677 C CE1 . HIS D 30 ? 0.7125 0.3946 0.4273 -0.0084 -0.1434 0.0597 29 HIS D CE1 4678 N NE2 . HIS D 30 ? 0.7800 0.4107 0.4374 -0.0182 -0.1565 0.0724 29 HIS D NE2 4679 N N . ASN D 31 ? 0.8376 0.4055 0.2980 -0.0681 0.0318 0.0254 30 ASN D N 4680 C CA . ASN D 31 ? 0.8247 0.3993 0.2932 -0.0740 0.0817 0.0122 30 ASN D CA 4681 C C . ASN D 31 ? 0.7350 0.3741 0.2839 -0.0602 0.0912 -0.0010 30 ASN D C 4682 O O . ASN D 31 ? 0.7400 0.3837 0.2968 -0.0642 0.1229 -0.0135 30 ASN D O 4683 C CB . ASN D 31 ? 0.8191 0.3891 0.3012 -0.0774 0.1029 0.0168 30 ASN D CB 4684 C CG . ASN D 31 ? 0.9371 0.4324 0.3282 -0.0989 0.1237 0.0244 30 ASN D CG 4685 O OD1 . ASN D 31 ? 0.9801 0.4192 0.2851 -0.1123 0.1178 0.0271 30 ASN D OD1 4686 N ND2 . ASN D 31 ? 0.9175 0.4071 0.3230 -0.1041 0.1478 0.0280 30 ASN D ND2 4687 N N . ASN D 32 ? 0.6540 0.3376 0.2608 -0.0447 0.0650 0.0018 31 ASN D N 4688 C CA . ASN D 32 ? 0.5772 0.3162 0.2555 -0.0333 0.0738 -0.0078 31 ASN D CA 4689 C C . ASN D 32 ? 0.5340 0.2994 0.2343 -0.0251 0.0567 -0.0114 31 ASN D C 4690 O O . ASN D 32 ? 0.5358 0.3007 0.2346 -0.0203 0.0279 -0.0043 31 ASN D O 4691 C CB . ASN D 32 ? 0.5264 0.2906 0.2486 -0.0243 0.0656 -0.0045 31 ASN D CB 4692 C CG . ASN D 32 ? 0.5849 0.3223 0.2898 -0.0330 0.0803 0.0000 31 ASN D CG 4693 O OD1 . ASN D 32 ? 0.5929 0.3143 0.2850 -0.0437 0.1095 -0.0040 31 ASN D OD1 4694 N ND2 . ASN D 32 ? 0.6007 0.3308 0.3086 -0.0288 0.0630 0.0083 31 ASN D ND2 4695 N N . MET D 33 ? 0.4909 0.2812 0.2222 -0.0231 0.0733 -0.0212 32 MET D N 4696 C CA . MET D 33 ? 0.4689 0.2831 0.2225 -0.0164 0.0591 -0.0238 32 MET D CA 4697 C C . MET D 33 ? 0.4216 0.2759 0.2308 -0.0089 0.0668 -0.0291 32 MET D C 4698 O O . MET D 33 ? 0.4300 0.2902 0.2606 -0.0111 0.0852 -0.0332 32 MET D O 4699 C CB . MET D 33 ? 0.4989 0.2830 0.2094 -0.0251 0.0614 -0.0284 32 MET D CB 4700 C CG . MET D 33 ? 0.5526 0.2873 0.1953 -0.0349 0.0427 -0.0205 32 MET D CG 4701 S SD . MET D 33 ? 0.6642 0.3497 0.2381 -0.0490 0.0413 -0.0275 32 MET D SD 4702 C CE . MET D 33 ? 0.5623 0.2849 0.1853 -0.0394 0.0078 -0.0260 32 MET D CE 4703 N N . TYR D 34 ? 0.3870 0.2655 0.2205 -0.0015 0.0515 -0.0275 33 TYR D N 4704 C CA . TYR D 34 ? 0.3642 0.2719 0.2373 0.0040 0.0528 -0.0290 33 TYR D CA 4705 C C . TYR D 34 ? 0.3672 0.2887 0.2540 0.0068 0.0460 -0.0294 33 TYR D C 4706 O O . TYR D 34 ? 0.3838 0.3028 0.2630 0.0080 0.0338 -0.0265 33 TYR D O 4707 C CB . TYR D 34 ? 0.3555 0.2726 0.2381 0.0095 0.0439 -0.0255 33 TYR D CB 4708 C CG . TYR D 34 ? 0.3662 0.2675 0.2356 0.0074 0.0464 -0.0238 33 TYR D CG 4709 C CD1 . TYR D 34 ? 0.4205 0.3018 0.2666 0.0070 0.0377 -0.0184 33 TYR D CD1 4710 C CD2 . TYR D 34 ? 0.3963 0.3000 0.2792 0.0048 0.0540 -0.0262 33 TYR D CD2 4711 C CE1 . TYR D 34 ? 0.4174 0.2796 0.2496 0.0043 0.0394 -0.0151 33 TYR D CE1 4712 C CE2 . TYR D 34 ? 0.4052 0.2930 0.2785 0.0018 0.0572 -0.0244 33 TYR D CE2 4713 C CZ . TYR D 34 ? 0.4383 0.3047 0.2841 0.0017 0.0515 -0.0186 33 TYR D CZ 4714 O OH . TYR D 34 ? 0.4341 0.2811 0.2693 -0.0017 0.0540 -0.0152 33 TYR D OH 4715 N N . TRP D 35 ? 0.3417 0.2772 0.2543 0.0075 0.0506 -0.0313 34 TRP D N 4716 C CA . TRP D 35 ? 0.3258 0.2726 0.2521 0.0095 0.0444 -0.0299 34 TRP D CA 4717 C C . TRP D 35 ? 0.3003 0.2607 0.2416 0.0120 0.0383 -0.0253 34 TRP D C 4718 O O . TRP D 35 ? 0.3091 0.2711 0.2629 0.0108 0.0376 -0.0250 34 TRP D O 4719 C CB . TRP D 35 ? 0.3180 0.2605 0.2568 0.0070 0.0531 -0.0349 34 TRP D CB 4720 C CG . TRP D 35 ? 0.3479 0.2702 0.2604 0.0027 0.0564 -0.0403 34 TRP D CG 4721 C CD1 . TRP D 35 ? 0.3792 0.2752 0.2664 -0.0034 0.0728 -0.0481 34 TRP D CD1 4722 C CD2 . TRP D 35 ? 0.3318 0.2522 0.2369 0.0018 0.0436 -0.0390 34 TRP D CD2 4723 N NE1 . TRP D 35 ? 0.4177 0.2903 0.2709 -0.0089 0.0677 -0.0521 34 TRP D NE1 4724 C CE2 . TRP D 35 ? 0.3669 0.2567 0.2362 -0.0054 0.0472 -0.0463 34 TRP D CE2 4725 C CE3 . TRP D 35 ? 0.3386 0.2768 0.2635 0.0050 0.0310 -0.0326 34 TRP D CE3 4726 C CZ2 . TRP D 35 ? 0.4036 0.2810 0.2583 -0.0097 0.0317 -0.0470 34 TRP D CZ2 4727 C CZ3 . TRP D 35 ? 0.3291 0.2606 0.2507 0.0016 0.0194 -0.0328 34 TRP D CZ3 4728 C CH2 . TRP D 35 ? 0.3594 0.2612 0.2468 -0.0056 0.0163 -0.0397 34 TRP D CH2 4729 N N . TYR D 36 ? 0.2858 0.2519 0.2256 0.0139 0.0339 -0.0217 35 TYR D N 4730 C CA . TYR D 36 ? 0.2885 0.2569 0.2266 0.0135 0.0322 -0.0175 35 TYR D CA 4731 C C . TYR D 36 ? 0.2984 0.2703 0.2446 0.0120 0.0311 -0.0128 35 TYR D C 4732 O O . TYR D 36 ? 0.2963 0.2723 0.2536 0.0123 0.0312 -0.0137 35 TYR D O 4733 C CB . TYR D 36 ? 0.2994 0.2657 0.2275 0.0160 0.0376 -0.0181 35 TYR D CB 4734 C CG . TYR D 36 ? 0.3052 0.2648 0.2245 0.0177 0.0385 -0.0218 35 TYR D CG 4735 C CD1 . TYR D 36 ? 0.2735 0.2314 0.1958 0.0201 0.0369 -0.0226 35 TYR D CD1 4736 C CD2 . TYR D 36 ? 0.3101 0.2596 0.2140 0.0154 0.0385 -0.0236 35 TYR D CD2 4737 C CE1 . TYR D 36 ? 0.3125 0.2612 0.2268 0.0211 0.0373 -0.0242 35 TYR D CE1 4738 C CE2 . TYR D 36 ? 0.3174 0.2591 0.2159 0.0165 0.0395 -0.0272 35 TYR D CE2 4739 C CZ . TYR D 36 ? 0.3142 0.2569 0.2203 0.0199 0.0400 -0.0269 35 TYR D CZ 4740 O OH . TYR D 36 ? 0.3518 0.2839 0.2527 0.0207 0.0406 -0.0286 35 TYR D OH 4741 N N . ARG D 37 ? 0.2973 0.2624 0.2335 0.0086 0.0280 -0.0073 36 ARG D N 4742 C CA . ARG D 37 ? 0.3032 0.2663 0.2393 0.0056 0.0304 -0.0011 36 ARG D CA 4743 C C . ARG D 37 ? 0.3250 0.2740 0.2315 0.0016 0.0401 0.0015 36 ARG D C 4744 O O . ARG D 37 ? 0.3327 0.2670 0.2115 -0.0007 0.0374 0.0002 36 ARG D O 4745 C CB . ARG D 37 ? 0.3120 0.2703 0.2585 0.0028 0.0181 0.0052 36 ARG D CB 4746 C CG . ARG D 37 ? 0.3339 0.2783 0.2676 -0.0009 0.0030 0.0109 36 ARG D CG 4747 C CD . ARG D 37 ? 0.3907 0.3298 0.3469 -0.0028 -0.0127 0.0199 36 ARG D CD 4748 N NE . ARG D 37 ? 0.3897 0.3122 0.3217 -0.0091 -0.0145 0.0309 36 ARG D NE 4749 C CZ . ARG D 37 ? 0.4287 0.3412 0.3749 -0.0118 -0.0294 0.0416 36 ARG D CZ 4750 N NH1 . ARG D 37 ? 0.3736 0.2939 0.3677 -0.0070 -0.0431 0.0415 36 ARG D NH1 4751 N NH2 . ARG D 37 ? 0.4196 0.3115 0.3349 -0.0196 -0.0286 0.0530 36 ARG D NH2 4752 N N . GLN D 38 ? 0.3342 0.2847 0.2470 0.0000 0.0536 0.0041 37 GLN D N 4753 C CA . GLN D 38 ? 0.3775 0.3107 0.2637 -0.0052 0.0734 0.0053 37 GLN D CA 4754 C C . GLN D 38 ? 0.4286 0.3463 0.2994 -0.0140 0.0770 0.0157 37 GLN D C 4755 O O . GLN D 38 ? 0.4149 0.3468 0.3194 -0.0136 0.0794 0.0188 37 GLN D O 4756 C CB . GLN D 38 ? 0.3385 0.2871 0.2593 0.0000 0.0932 -0.0004 37 GLN D CB 4757 C CG . GLN D 38 ? 0.3831 0.3129 0.2867 -0.0056 0.1249 -0.0012 37 GLN D CG 4758 C CD . GLN D 38 ? 0.3860 0.3361 0.3489 0.0001 0.1450 -0.0057 37 GLN D CD 4759 O OE1 . GLN D 38 ? 0.3597 0.3325 0.3726 0.0020 0.1365 -0.0021 37 GLN D OE1 4760 N NE2 . GLN D 38 ? 0.3546 0.2947 0.3167 0.0025 0.1695 -0.0138 37 GLN D NE2 4761 N N . ASP D 39 ? 0.5028 0.3865 0.3186 -0.0234 0.0755 0.0217 38 ASP D N 4762 C CA . ASP D 39 ? 0.5751 0.4333 0.3621 -0.0344 0.0810 0.0336 38 ASP D CA 4763 C C . ASP D 39 ? 0.6421 0.4640 0.3731 -0.0445 0.1118 0.0320 38 ASP D C 4764 O O . ASP D 39 ? 0.6620 0.4660 0.3568 -0.0455 0.1177 0.0235 38 ASP D O 4765 C CB . ASP D 39 ? 0.6059 0.4423 0.3665 -0.0401 0.0469 0.0458 38 ASP D CB 4766 C CG . ASP D 39 ? 0.5944 0.4629 0.4134 -0.0299 0.0228 0.0443 38 ASP D CG 4767 O OD1 . ASP D 39 ? 0.5747 0.4554 0.4288 -0.0282 0.0205 0.0489 38 ASP D OD1 4768 O OD2 . ASP D 39 ? 0.6215 0.5009 0.4520 -0.0241 0.0107 0.0371 38 ASP D OD2 4769 N N . THR D 40 ? 0.6977 0.5039 0.4188 -0.0535 0.1346 0.0396 39 THR D N 4770 C CA . THR D 40 ? 0.7888 0.5506 0.4479 -0.0662 0.1725 0.0379 39 THR D CA 4771 C C . THR D 40 ? 0.8584 0.5667 0.4222 -0.0770 0.1585 0.0382 39 THR D C 4772 O O . THR D 40 ? 0.8717 0.5647 0.4073 -0.0809 0.1157 0.0488 39 THR D O 4773 C CB . THR D 40 ? 0.8417 0.5805 0.4846 -0.0791 0.1920 0.0511 39 THR D CB 4774 O OG1 . THR D 40 ? 0.9222 0.6139 0.4892 -0.0922 0.1628 0.0667 39 THR D OG1 4775 C CG2 . THR D 40 ? 0.7889 0.5772 0.5233 -0.0706 0.1853 0.0550 39 THR D CG2 4776 N N . GLY D 41 ? 0.9098 0.5871 0.4278 -0.0823 0.1934 0.0259 40 GLY D N 4777 C CA . GLY D 41 ? 0.9874 0.6060 0.4066 -0.0950 0.1802 0.0240 40 GLY D CA 4778 C C . GLY D 41 ? 0.9462 0.5843 0.3829 -0.0849 0.1476 0.0148 40 GLY D C 4779 O O . GLY D 41 ? 1.0081 0.5988 0.3693 -0.0953 0.1361 0.0104 40 GLY D O 4780 N N . HIS D 42 ? 0.8435 0.5453 0.3738 -0.0669 0.1335 0.0118 41 HIS D N 4781 C CA . HIS D 42 ? 0.8068 0.5281 0.3588 -0.0584 0.1026 0.0056 41 HIS D CA 4782 C C . HIS D 42 ? 0.7232 0.4873 0.3422 -0.0425 0.1221 -0.0080 41 HIS D C 4783 O O . HIS D 42 ? 0.6765 0.4726 0.3525 -0.0346 0.1431 -0.0088 41 HIS D O 4784 C CB . HIS D 42 ? 0.7750 0.5246 0.3705 -0.0537 0.0593 0.0178 41 HIS D CB 4785 C CG . HIS D 42 ? 0.9020 0.6094 0.4413 -0.0675 0.0222 0.0313 41 HIS D CG 4786 N ND1 . HIS D 42 ? 0.9800 0.6660 0.4973 -0.0765 0.0121 0.0478 41 HIS D ND1 4787 C CD2 . HIS D 42 ? 0.9859 0.6641 0.4868 -0.0751 -0.0109 0.0322 41 HIS D CD2 4788 C CE1 . HIS D 42 ? 1.0626 0.7069 0.5297 -0.0887 -0.0284 0.0594 41 HIS D CE1 4789 N NE2 . HIS D 42 ? 1.0626 0.7021 0.5206 -0.0884 -0.0441 0.0500 41 HIS D NE2 4790 N N . GLY D 43 ? 0.6973 0.4606 0.3129 -0.0387 0.1104 -0.0171 42 GLY D N 4791 C CA . GLY D 43 ? 0.6192 0.4222 0.2997 -0.0238 0.1173 -0.0259 42 GLY D CA 4792 C C . GLY D 43 ? 0.5475 0.3932 0.2862 -0.0154 0.0898 -0.0182 42 GLY D C 4793 O O . GLY D 43 ? 0.5519 0.3945 0.2820 -0.0204 0.0641 -0.0088 42 GLY D O 4794 N N . LEU D 44 ? 0.4767 0.3567 0.2724 -0.0037 0.0946 -0.0220 43 LEU D N 4795 C CA . LEU D 44 ? 0.4239 0.3323 0.2582 0.0020 0.0716 -0.0181 43 LEU D CA 4796 C C . LEU D 44 ? 0.4105 0.3103 0.2290 -0.0016 0.0477 -0.0171 43 LEU D C 4797 O O . LEU D 44 ? 0.4284 0.3087 0.2194 -0.0050 0.0459 -0.0222 43 LEU D O 4798 C CB . LEU D 44 ? 0.3833 0.3143 0.2598 0.0119 0.0758 -0.0226 43 LEU D CB 4799 C CG . LEU D 44 ? 0.3733 0.3259 0.2919 0.0161 0.0791 -0.0193 43 LEU D CG 4800 C CD1 . LEU D 44 ? 0.3573 0.3058 0.2860 0.0148 0.1048 -0.0200 43 LEU D CD1 4801 C CD2 . LEU D 44 ? 0.3011 0.2667 0.2498 0.0234 0.0704 -0.0211 43 LEU D CD2 4802 N N . ARG D 45 ? 0.3833 0.2960 0.2244 -0.0017 0.0302 -0.0111 44 ARG D N 4803 C CA . ARG D 45 ? 0.3921 0.2999 0.2368 -0.0053 0.0082 -0.0092 44 ARG D CA 4804 C C . ARG D 45 ? 0.3401 0.2723 0.2310 0.0005 0.0069 -0.0111 44 ARG D C 4805 O O . ARG D 45 ? 0.3261 0.2718 0.2393 0.0037 0.0109 -0.0094 44 ARG D O 4806 C CB . ARG D 45 ? 0.4184 0.3085 0.2474 -0.0136 -0.0124 0.0011 44 ARG D CB 4807 C CG . ARG D 45 ? 0.5247 0.3744 0.2884 -0.0245 -0.0171 0.0028 44 ARG D CG 4808 C CD . ARG D 45 ? 0.5877 0.4118 0.3260 -0.0345 -0.0411 0.0168 44 ARG D CD 4809 N NE . ARG D 45 ? 0.5868 0.4259 0.3479 -0.0310 -0.0317 0.0236 44 ARG D NE 4810 C CZ . ARG D 45 ? 0.6619 0.4849 0.4163 -0.0373 -0.0517 0.0375 44 ARG D CZ 4811 N NH1 . ARG D 45 ? 0.7202 0.5097 0.4443 -0.0478 -0.0864 0.0477 44 ARG D NH1 4812 N NH2 . ARG D 45 ? 0.6448 0.4821 0.4239 -0.0337 -0.0407 0.0423 44 ARG D NH2 4813 N N . LEU D 46 ? 0.3388 0.2719 0.2411 0.0003 0.0027 -0.0150 45 LEU D N 4814 C CA . LEU D 46 ? 0.3216 0.2697 0.2571 0.0040 0.0103 -0.0185 45 LEU D CA 4815 C C . LEU D 46 ? 0.3086 0.2649 0.2838 0.0028 0.0035 -0.0156 45 LEU D C 4816 O O . LEU D 46 ? 0.3289 0.2806 0.3203 -0.0015 -0.0148 -0.0111 45 LEU D O 4817 C CB . LEU D 46 ? 0.3122 0.2553 0.2469 0.0028 0.0128 -0.0231 45 LEU D CB 4818 C CG . LEU D 46 ? 0.3186 0.2678 0.2750 0.0038 0.0257 -0.0261 45 LEU D CG 4819 C CD1 . LEU D 46 ? 0.3344 0.2825 0.2722 0.0079 0.0374 -0.0275 45 LEU D CD1 4820 C CD2 . LEU D 46 ? 0.3439 0.2860 0.3057 0.0000 0.0254 -0.0284 45 LEU D CD2 4821 N N . ILE D 47 ? 0.2895 0.2541 0.2816 0.0061 0.0166 -0.0184 46 ILE D N 4822 C CA . ILE D 47 ? 0.2772 0.2477 0.3129 0.0063 0.0163 -0.0178 46 ILE D CA 4823 C C . ILE D 47 ? 0.2830 0.2552 0.3496 0.0054 0.0339 -0.0250 46 ILE D C 4824 O O . ILE D 47 ? 0.2797 0.2568 0.3941 0.0036 0.0290 -0.0239 46 ILE D O 4825 C CB . ILE D 47 ? 0.2807 0.2524 0.3144 0.0089 0.0238 -0.0188 46 ILE D CB 4826 C CG1 . ILE D 47 ? 0.2905 0.2597 0.2983 0.0084 0.0124 -0.0112 46 ILE D CG1 4827 C CG2 . ILE D 47 ? 0.2537 0.2283 0.3377 0.0101 0.0270 -0.0202 46 ILE D CG2 4828 C CD1 . ILE D 47 ? 0.2996 0.2702 0.3038 0.0099 0.0203 -0.0131 46 ILE D CD1 4829 N N . HIS D 48 ? 0.2829 0.2475 0.3229 0.0054 0.0541 -0.0318 47 HIS D N 4830 C CA . HIS D 48 ? 0.3042 0.2602 0.3539 0.0019 0.0776 -0.0388 47 HIS D CA 4831 C C . HIS D 48 ? 0.3218 0.2630 0.3184 0.0000 0.0825 -0.0394 47 HIS D C 4832 O O . HIS D 48 ? 0.3155 0.2553 0.2783 0.0027 0.0706 -0.0363 47 HIS D O 4833 C CB . HIS D 48 ? 0.3127 0.2596 0.3740 0.0012 0.1000 -0.0469 47 HIS D CB 4834 C CG . HIS D 48 ? 0.3035 0.2627 0.4329 0.0038 0.1002 -0.0472 47 HIS D CG 4835 N ND1 . HIS D 48 ? 0.3245 0.2922 0.5170 0.0024 0.1069 -0.0477 47 HIS D ND1 4836 C CD2 . HIS D 48 ? 0.3139 0.2770 0.4657 0.0076 0.0935 -0.0463 47 HIS D CD2 4837 C CE1 . HIS D 48 ? 0.3033 0.2807 0.5588 0.0061 0.1021 -0.0465 47 HIS D CE1 4838 N NE2 . HIS D 48 ? 0.2950 0.2683 0.5236 0.0094 0.0945 -0.0457 47 HIS D NE2 4839 N N . TYR D 49 ? 0.3293 0.2588 0.3246 -0.0051 0.0994 -0.0422 48 TYR D N 4840 C CA . TYR D 49 ? 0.3524 0.2606 0.2957 -0.0081 0.1031 -0.0410 48 TYR D CA 4841 C C . TYR D 49 ? 0.3815 0.2643 0.3112 -0.0167 0.1326 -0.0460 48 TYR D C 4842 O O . TYR D 49 ? 0.3893 0.2750 0.3592 -0.0194 0.1545 -0.0521 48 TYR D O 4843 C CB . TYR D 49 ? 0.3449 0.2580 0.2834 -0.0061 0.0869 -0.0356 48 TYR D CB 4844 C CG . TYR D 49 ? 0.3441 0.2635 0.3203 -0.0099 0.0895 -0.0359 48 TYR D CG 4845 C CD1 . TYR D 49 ? 0.2975 0.2357 0.3178 -0.0087 0.0752 -0.0351 48 TYR D CD1 4846 C CD2 . TYR D 49 ? 0.3587 0.2615 0.3252 -0.0159 0.1019 -0.0353 48 TYR D CD2 4847 C CE1 . TYR D 49 ? 0.3020 0.2444 0.3619 -0.0137 0.0699 -0.0345 48 TYR D CE1 4848 C CE2 . TYR D 49 ? 0.3456 0.2548 0.3539 -0.0206 0.1019 -0.0353 48 TYR D CE2 4849 C CZ . TYR D 49 ? 0.3110 0.2410 0.3686 -0.0195 0.0842 -0.0353 48 TYR D CZ 4850 O OH . TYR D 49 ? 0.3006 0.2357 0.4057 -0.0257 0.0776 -0.0348 48 TYR D OH 4851 N N . SER D 50 ? 0.4209 0.2748 0.2947 -0.0219 0.1351 -0.0432 49 SER D N 4852 C CA . SER D 50 ? 0.4704 0.2868 0.3109 -0.0337 0.1675 -0.0474 49 SER D CA 4853 C C . SER D 50 ? 0.5066 0.2956 0.3004 -0.0395 0.1632 -0.0393 49 SER D C 4854 O O . SER D 50 ? 0.5089 0.2938 0.2730 -0.0353 0.1351 -0.0317 49 SER D O 4855 C CB . SER D 50 ? 0.5072 0.2936 0.2999 -0.0389 0.1786 -0.0542 49 SER D CB 4856 O OG . SER D 50 ? 0.5815 0.3190 0.3208 -0.0529 0.2112 -0.0585 49 SER D OG 4857 N N . TYR D 51 ? 0.5424 0.3121 0.3370 -0.0492 0.1923 -0.0403 50 TYR D N 4858 C CA . TYR D 51 ? 0.5960 0.3331 0.3450 -0.0569 0.1917 -0.0312 50 TYR D CA 4859 C C . TYR D 51 ? 0.6775 0.3520 0.3394 -0.0724 0.2138 -0.0303 50 TYR D C 4860 O O . TYR D 51 ? 0.7118 0.3503 0.3244 -0.0804 0.2107 -0.0205 50 TYR D O 4861 C CB . TYR D 51 ? 0.5709 0.3209 0.3727 -0.0605 0.2086 -0.0307 50 TYR D CB 4862 C CG . TYR D 51 ? 0.5360 0.3280 0.3951 -0.0498 0.1795 -0.0286 50 TYR D CG 4863 C CD1 . TYR D 51 ? 0.5115 0.3089 0.3496 -0.0408 0.1453 -0.0224 50 TYR D CD1 4864 C CD2 . TYR D 51 ? 0.4942 0.3157 0.4296 -0.0499 0.1863 -0.0330 50 TYR D CD2 4865 C CE1 . TYR D 51 ? 0.4950 0.3210 0.3740 -0.0331 0.1241 -0.0229 50 TYR D CE1 4866 C CE2 . TYR D 51 ? 0.4640 0.3124 0.4371 -0.0435 0.1569 -0.0313 50 TYR D CE2 4867 C CZ . TYR D 51 ? 0.4701 0.3181 0.4086 -0.0356 0.1286 -0.0273 50 TYR D CZ 4868 O OH . TYR D 51 ? 0.4451 0.3104 0.4096 -0.0313 0.1048 -0.0282 50 TYR D OH 4869 N N . GLY D 52 ? 0.7271 0.3829 0.3650 -0.0776 0.2353 -0.0406 51 GLY D N 4870 C CA . GLY D 52 ? 0.8345 0.4218 0.3680 -0.0930 0.2451 -0.0402 51 GLY D CA 4871 C C . GLY D 52 ? 0.8832 0.4560 0.4107 -0.0981 0.2798 -0.0568 51 GLY D C 4872 O O . GLY D 52 ? 0.8334 0.4536 0.4456 -0.0877 0.2909 -0.0661 51 GLY D O 4873 N N . ALA D 53 ? 0.9965 0.4982 0.4209 -0.1150 0.2958 -0.0605 52 ALA D N 4874 C CA . ALA D 53 ? 1.0515 0.5238 0.4521 -0.1225 0.3335 -0.0790 52 ALA D CA 4875 C C . ALA D 53 ? 1.0479 0.5425 0.5320 -0.1219 0.3930 -0.0931 52 ALA D C 4876 O O . ALA D 53 ? 1.0710 0.5532 0.5652 -0.1303 0.4269 -0.0907 52 ALA D O 4877 C CB . ALA D 53 ? 1.1850 0.5601 0.4426 -0.1463 0.3475 -0.0803 52 ALA D CB 4878 N N . GLY D 54 ? 1.0228 0.5478 0.5712 -0.1125 0.4057 -0.1073 53 GLY D N 4879 C CA . GLY D 54 ? 1.0041 0.5519 0.6488 -0.1103 0.4592 -0.1209 53 GLY D CA 4880 C C . GLY D 54 ? 0.9017 0.5287 0.6763 -0.0939 0.4365 -0.1120 53 GLY D C 4881 O O . GLY D 54 ? 0.8903 0.5464 0.7663 -0.0893 0.4672 -0.1206 53 GLY D O 4882 N N . SER D 55 ? 0.8285 0.4853 0.6002 -0.0860 0.3830 -0.0953 54 SER D N 4883 C CA . SER D 55 ? 0.7292 0.4492 0.6009 -0.0734 0.3558 -0.0865 54 SER D CA 4884 C C . SER D 55 ? 0.6519 0.4129 0.5515 -0.0580 0.3094 -0.0834 54 SER D C 4885 O O . SER D 55 ? 0.6597 0.4075 0.4938 -0.0564 0.2809 -0.0795 54 SER D O 4886 C CB . SER D 55 ? 0.7221 0.4418 0.5679 -0.0757 0.3309 -0.0717 54 SER D CB 4887 O OG . SER D 55 ? 0.6147 0.3842 0.5040 -0.0613 0.2790 -0.0621 54 SER D OG 4888 N N . THR D 56 ? 0.5720 0.3803 0.5707 -0.0481 0.3001 -0.0834 55 THR D N 4889 C CA . THR D 56 ? 0.5099 0.3560 0.5370 -0.0353 0.2552 -0.0771 55 THR D CA 4890 C C . THR D 56 ? 0.4514 0.3367 0.5667 -0.0306 0.2385 -0.0707 55 THR D C 4891 O O . THR D 56 ? 0.4431 0.3338 0.6261 -0.0347 0.2652 -0.0748 55 THR D O 4892 C CB . THR D 56 ? 0.5084 0.3572 0.5554 -0.0301 0.2607 -0.0857 55 THR D CB 4893 O OG1 . THR D 56 ? 0.5679 0.4082 0.6709 -0.0338 0.3065 -0.0978 55 THR D OG1 4894 C CG2 . THR D 56 ? 0.5654 0.3761 0.5193 -0.0350 0.2619 -0.0904 55 THR D CG2 4895 N N . GLU D 57 ? 0.3937 0.3025 0.5078 -0.0235 0.1946 -0.0610 56 GLU D N 4896 C CA . GLU D 57 ? 0.3630 0.2991 0.5423 -0.0216 0.1711 -0.0546 56 GLU D CA 4897 C C . GLU D 57 ? 0.3291 0.2849 0.5180 -0.0134 0.1332 -0.0486 56 GLU D C 4898 O O . GLU D 57 ? 0.3170 0.2676 0.4487 -0.0096 0.1203 -0.0468 56 GLU D O 4899 C CB . GLU D 57 ? 0.3668 0.2968 0.5131 -0.0255 0.1581 -0.0488 56 GLU D CB 4900 C CG . GLU D 57 ? 0.4217 0.3272 0.5535 -0.0356 0.1940 -0.0517 56 GLU D CG 4901 C CD . GLU D 57 ? 0.4716 0.3879 0.6938 -0.0416 0.2187 -0.0554 56 GLU D CD 4902 O OE1 . GLU D 57 ? 0.4796 0.4248 0.7800 -0.0373 0.1967 -0.0534 56 GLU D OE1 4903 O OE2 . GLU D 57 ? 0.5141 0.4077 0.7316 -0.0516 0.2590 -0.0591 56 GLU D OE2 4904 N N . LYS D 58 ? 0.3161 0.2918 0.5775 -0.0123 0.1127 -0.0440 57 LYS D N 4905 C CA . LYS D 58 ? 0.3066 0.2929 0.5682 -0.0078 0.0714 -0.0352 57 LYS D CA 4906 C C . LYS D 58 ? 0.3129 0.2929 0.5139 -0.0091 0.0442 -0.0296 57 LYS D C 4907 O O . LYS D 58 ? 0.3143 0.2904 0.5142 -0.0141 0.0402 -0.0294 57 LYS D O 4908 C CB . LYS D 58 ? 0.3003 0.3019 0.6539 -0.0083 0.0508 -0.0297 57 LYS D CB 4909 C CG . LYS D 58 ? 0.3003 0.3078 0.7167 -0.0040 0.0761 -0.0355 57 LYS D CG 4910 C CD . LYS D 58 ? 0.3511 0.3750 0.8783 -0.0036 0.0557 -0.0292 57 LYS D CD 4911 C CE . LYS D 58 ? 0.3675 0.3952 0.9544 0.0032 0.0779 -0.0348 57 LYS D CE 4912 N NZ . LYS D 58 ? 0.4058 0.4502 1.1244 0.0035 0.0785 -0.0335 57 LYS D NZ 4913 N N . GLY D 59 ? 0.3112 0.2882 0.4648 -0.0051 0.0294 -0.0261 58 GLY D N 4914 C CA . GLY D 59 ? 0.3281 0.2958 0.4275 -0.0061 0.0085 -0.0222 58 GLY D CA 4915 C C . GLY D 59 ? 0.3549 0.3188 0.4665 -0.0099 -0.0267 -0.0139 58 GLY D C 4916 O O . GLY D 59 ? 0.3503 0.3203 0.5229 -0.0130 -0.0415 -0.0101 58 GLY D O 4917 N N . ASP D 60 ? 0.3733 0.3232 0.4281 -0.0107 -0.0405 -0.0102 59 ASP D N 4918 C CA . ASP D 60 ? 0.4105 0.3420 0.4513 -0.0182 -0.0761 -0.0017 59 ASP D CA 4919 C C . ASP D 60 ? 0.4052 0.3374 0.4706 -0.0179 -0.0942 0.0084 59 ASP D C 4920 O O . ASP D 60 ? 0.4176 0.3383 0.5044 -0.0244 -0.1291 0.0177 59 ASP D O 4921 C CB . ASP D 60 ? 0.4419 0.3480 0.4038 -0.0221 -0.0775 -0.0039 59 ASP D CB 4922 C CG . ASP D 60 ? 0.5204 0.4205 0.4680 -0.0238 -0.0687 -0.0128 59 ASP D CG 4923 O OD1 . ASP D 60 ? 0.5877 0.4899 0.5741 -0.0287 -0.0815 -0.0133 59 ASP D OD1 4924 O OD2 . ASP D 60 ? 0.5703 0.4628 0.4746 -0.0205 -0.0492 -0.0191 59 ASP D OD2 4925 N N . ILE D 61 ? 0.3875 0.3310 0.4537 -0.0108 -0.0731 0.0070 60 ILE D N 4926 C CA . ILE D 61 ? 0.3847 0.3279 0.4740 -0.0095 -0.0858 0.0161 60 ILE D CA 4927 C C . ILE D 61 ? 0.3612 0.3257 0.5056 -0.0013 -0.0601 0.0094 60 ILE D C 4928 O O . ILE D 61 ? 0.3632 0.3291 0.4897 0.0024 -0.0455 0.0078 60 ILE D O 4929 C CB . ILE D 61 ? 0.4030 0.3283 0.4263 -0.0119 -0.0871 0.0220 60 ILE D CB 4930 C CG1 . ILE D 61 ? 0.3758 0.3087 0.3620 -0.0073 -0.0541 0.0119 60 ILE D CG1 4931 C CG2 . ILE D 61 ? 0.4637 0.3551 0.4307 -0.0231 -0.1157 0.0305 60 ILE D CG2 4932 C CD1 . ILE D 61 ? 0.3708 0.2957 0.3242 -0.0079 -0.0476 0.0171 60 ILE D CD1 4933 N N . PRO D 62 ? 0.3450 0.3226 0.5573 0.0002 -0.0524 0.0045 61 PRO D N 4934 C CA . PRO D 62 ? 0.3224 0.3115 0.5777 0.0062 -0.0191 -0.0055 61 PRO D CA 4935 C C . PRO D 62 ? 0.3210 0.3123 0.6306 0.0106 -0.0252 -0.0012 61 PRO D C 4936 O O . PRO D 62 ? 0.3072 0.2999 0.6316 0.0149 0.0044 -0.0114 61 PRO D O 4937 C CB . PRO D 62 ? 0.3191 0.3170 0.6300 0.0044 -0.0038 -0.0123 61 PRO D CB 4938 C CG . PRO D 62 ? 0.3246 0.3212 0.6605 -0.0012 -0.0446 -0.0011 61 PRO D CG 4939 C CD . PRO D 62 ? 0.3380 0.3171 0.5877 -0.0050 -0.0691 0.0062 61 PRO D CD 4940 N N . ASP D 63 ? 0.3406 0.3264 0.6747 0.0085 -0.0647 0.0139 62 ASP D N 4941 C CA . ASP D 63 ? 0.3463 0.3330 0.7470 0.0131 -0.0756 0.0203 62 ASP D CA 4942 C C . ASP D 63 ? 0.3432 0.3240 0.7130 0.0172 -0.0584 0.0172 62 ASP D C 4943 O O . ASP D 63 ? 0.3435 0.3131 0.6383 0.0137 -0.0652 0.0225 62 ASP D O 4944 C CB . ASP D 63 ? 0.3825 0.3557 0.7996 0.0079 -0.1299 0.0410 62 ASP D CB 4945 C CG . ASP D 63 ? 0.4390 0.4193 0.9255 0.0045 -0.1536 0.0449 62 ASP D CG 4946 O OD1 . ASP D 63 ? 0.5183 0.4849 1.0326 -0.0003 -0.2043 0.0628 62 ASP D OD1 4947 O OD2 . ASP D 63 ? 0.4888 0.4850 1.0003 0.0051 -0.1249 0.0316 62 ASP D OD2 4948 N N . GLY D 64 ? 0.3270 0.3132 0.7589 0.0237 -0.0340 0.0076 63 GLY D N 4949 C CA . GLY D 64 ? 0.3302 0.3079 0.7424 0.0268 -0.0184 0.0027 63 GLY D CA 4950 C C . GLY D 64 ? 0.3226 0.2970 0.6812 0.0261 0.0217 -0.0159 63 GLY D C 4951 O O . GLY D 64 ? 0.3267 0.2912 0.6667 0.0270 0.0353 -0.0226 63 GLY D O 4952 N N . TYR D 65 ? 0.3041 0.2826 0.6367 0.0231 0.0372 -0.0236 64 TYR D N 4953 C CA . TYR D 65 ? 0.3140 0.2825 0.5872 0.0205 0.0683 -0.0384 64 TYR D CA 4954 C C . TYR D 65 ? 0.3382 0.3027 0.6363 0.0190 0.1029 -0.0522 64 TYR D C 4955 O O . TYR D 65 ? 0.3351 0.3116 0.6825 0.0189 0.0997 -0.0487 64 TYR D O 4956 C CB . TYR D 65 ? 0.2962 0.2661 0.4981 0.0167 0.0558 -0.0329 64 TYR D CB 4957 C CG . TYR D 65 ? 0.3010 0.2717 0.4700 0.0160 0.0297 -0.0202 64 TYR D CG 4958 C CD1 . TYR D 65 ? 0.2697 0.2337 0.4045 0.0152 0.0341 -0.0225 64 TYR D CD1 4959 C CD2 . TYR D 65 ? 0.2947 0.2679 0.4632 0.0141 0.0017 -0.0061 64 TYR D CD2 4960 C CE1 . TYR D 65 ? 0.2836 0.2476 0.3937 0.0133 0.0169 -0.0111 64 TYR D CE1 4961 C CE2 . TYR D 65 ? 0.3042 0.2703 0.4330 0.0112 -0.0150 0.0049 64 TYR D CE2 4962 C CZ . TYR D 65 ? 0.3113 0.2751 0.4158 0.0112 -0.0044 0.0023 64 TYR D CZ 4963 O OH . TYR D 65 ? 0.3287 0.2850 0.4007 0.0072 -0.0147 0.0131 64 TYR D OH 4964 N N . LYS D 66 ? 0.3718 0.3149 0.6291 0.0158 0.1353 -0.0676 65 LYS D N 4965 C CA . LYS D 66 ? 0.4217 0.3501 0.6771 0.0110 0.1743 -0.0811 65 LYS D CA 4966 C C . LYS D 66 ? 0.4394 0.3456 0.5961 0.0037 0.1796 -0.0849 65 LYS D C 4967 O O . LYS D 66 ? 0.4486 0.3483 0.5556 0.0031 0.1620 -0.0824 65 LYS D O 4968 C CB . LYS D 66 ? 0.4538 0.3642 0.7532 0.0119 0.2131 -0.0975 65 LYS D CB 4969 C CG . LYS D 66 ? 0.5432 0.4431 0.8809 0.0079 0.2588 -0.1101 65 LYS D CG 4970 C CD . LYS D 66 ? 0.6354 0.5192 1.0355 0.0109 0.2987 -0.1269 65 LYS D CD 4971 C CE . LYS D 66 ? 0.7494 0.5807 1.0643 0.0010 0.3451 -0.1489 65 LYS D CE 4972 N NZ . LYS D 66 ? 0.8149 0.6207 1.1417 -0.0069 0.4056 -0.1649 65 LYS D NZ 4973 N N . ALA D 67 ? 0.4606 0.3545 0.5937 -0.0024 0.2008 -0.0890 66 ALA D N 4974 C CA . ALA D 67 ? 0.4714 0.3407 0.5135 -0.0097 0.1995 -0.0893 66 ALA D CA 4975 C C . ALA D 67 ? 0.5313 0.3559 0.5292 -0.0203 0.2432 -0.1044 66 ALA D C 4976 O O . ALA D 67 ? 0.5447 0.3645 0.5915 -0.0218 0.2799 -0.1137 66 ALA D O 4977 C CB . ALA D 67 ? 0.4511 0.3375 0.4868 -0.0093 0.1800 -0.0775 66 ALA D CB 4978 N N . SER D 68 ? 0.5630 0.3509 0.4691 -0.0287 0.2391 -0.1067 67 SER D N 4979 C CA . SER D 68 ? 0.6328 0.3629 0.4688 -0.0428 0.2776 -0.1203 67 SER D CA 4980 C C . SER D 68 ? 0.6594 0.3587 0.4033 -0.0522 0.2587 -0.1116 67 SER D C 4981 O O . SER D 68 ? 0.6381 0.3427 0.3504 -0.0502 0.2171 -0.1021 67 SER D O 4982 C CB . SER D 68 ? 0.6666 0.3632 0.4732 -0.0468 0.2904 -0.1355 67 SER D CB 4983 O OG . SER D 68 ? 0.7823 0.4112 0.5025 -0.0632 0.3274 -0.1499 67 SER D OG 4984 N N . ARG D 69 ? 0.7018 0.3677 0.4085 -0.0630 0.2894 -0.1139 68 ARG D N 4985 C CA . ARG D 69 ? 0.7556 0.3834 0.3718 -0.0734 0.2714 -0.1043 68 ARG D CA 4986 C C . ARG D 69 ? 0.8656 0.4151 0.3874 -0.0934 0.3135 -0.1162 68 ARG D C 4987 O O . ARG D 69 ? 0.9026 0.4308 0.4136 -0.1019 0.3491 -0.1166 68 ARG D O 4988 C CB . ARG D 69 ? 0.7128 0.3710 0.3625 -0.0686 0.2596 -0.0899 68 ARG D CB 4989 C CG . ARG D 69 ? 0.7376 0.3604 0.3057 -0.0769 0.2339 -0.0768 68 ARG D CG 4990 C CD . ARG D 69 ? 0.6922 0.3445 0.2685 -0.0663 0.1784 -0.0645 68 ARG D CD 4991 N NE . ARG D 69 ? 0.7077 0.3239 0.2161 -0.0735 0.1507 -0.0514 68 ARG D NE 4992 C CZ . ARG D 69 ? 0.7177 0.3440 0.2379 -0.0705 0.1398 -0.0394 68 ARG D CZ 4993 N NH1 . ARG D 69 ? 0.6753 0.3464 0.2684 -0.0614 0.1532 -0.0396 68 ARG D NH1 4994 N NH2 . ARG D 69 ? 0.7606 0.3493 0.2209 -0.0770 0.1112 -0.0264 68 ARG D NH2 4995 N N . PRO D 70 ? 0.9271 0.4286 0.3766 -0.1026 0.3108 -0.1265 69 PRO D N 4996 C CA . PRO D 70 ? 1.0525 0.4671 0.3962 -0.1244 0.3535 -0.1407 69 PRO D CA 4997 C C . PRO D 70 ? 1.1431 0.4949 0.3685 -0.1418 0.3339 -0.1276 69 PRO D C 4998 O O . PRO D 70 ? 1.2457 0.5205 0.3772 -0.1622 0.3748 -0.1365 69 PRO D O 4999 C CB . PRO D 70 ? 1.0833 0.4693 0.3908 -0.1279 0.3458 -0.1552 69 PRO D CB 5000 C CG . PRO D 70 ? 0.9871 0.4294 0.3434 -0.1133 0.2829 -0.1412 69 PRO D CG 5001 C CD . PRO D 70 ? 0.8944 0.4171 0.3599 -0.0947 0.2727 -0.1274 69 PRO D CD 5002 N N . SER D 71 ? 1.1052 0.4859 0.3362 -0.1343 0.2739 -0.1066 70 SER D N 5003 C CA . SER D 71 ? 1.1859 0.5055 0.3095 -0.1497 0.2425 -0.0912 70 SER D CA 5004 C C . SER D 71 ? 1.1013 0.4778 0.2855 -0.1346 0.1934 -0.0693 70 SER D C 5005 O O . SER D 71 ? 0.9965 0.4510 0.2863 -0.1144 0.1791 -0.0678 70 SER D O 5006 C CB . SER D 71 ? 1.2658 0.5267 0.2948 -0.1628 0.2038 -0.0932 70 SER D CB 5007 O OG . SER D 71 ? 1.1900 0.5153 0.2974 -0.1454 0.1540 -0.0874 70 SER D OG 5008 N N . GLN D 72 ? 1.1576 0.4896 0.2710 -0.1451 0.1679 -0.0525 71 GLN D N 5009 C CA . GLN D 72 ? 1.0947 0.4711 0.2610 -0.1315 0.1227 -0.0325 71 GLN D CA 5010 C C . GLN D 72 ? 1.0257 0.4509 0.2500 -0.1167 0.0722 -0.0285 71 GLN D C 5011 O O . GLN D 72 ? 0.9327 0.4255 0.2488 -0.0981 0.0564 -0.0219 71 GLN D O 5012 C CB . GLN D 72 ? 1.1891 0.4978 0.2623 -0.1468 0.0973 -0.0138 71 GLN D CB 5013 C CG . GLN D 72 ? 1.1617 0.5114 0.2946 -0.1324 0.0552 0.0061 71 GLN D CG 5014 C CD . GLN D 72 ? 1.1789 0.5552 0.3591 -0.1272 0.0887 0.0090 71 GLN D CD 5015 O OE1 . GLN D 72 ? 1.1632 0.5691 0.3905 -0.1244 0.1384 -0.0049 71 GLN D OE1 5016 N NE2 . GLN D 72 ? 1.1729 0.5400 0.3501 -0.1253 0.0577 0.0280 71 GLN D NE2 5017 N N . GLU D 73 ? 1.0724 0.4613 0.2443 -0.1260 0.0517 -0.0343 72 GLU D N 5018 C CA . GLU D 73 ? 1.0431 0.4654 0.2601 -0.1166 -0.0001 -0.0286 72 GLU D CA 5019 C C . GLU D 73 ? 0.9429 0.4397 0.2617 -0.0989 0.0122 -0.0395 72 GLU D C 5020 O O . GLU D 73 ? 0.8732 0.4212 0.2636 -0.0853 -0.0197 -0.0311 72 GLU D O 5021 C CB . GLU D 73 ? 1.1470 0.4971 0.2682 -0.1358 -0.0321 -0.0302 72 GLU D CB 5022 C CG . GLU D 73 ? 1.2851 0.5769 0.3342 -0.1487 -0.0870 -0.0095 72 GLU D CG 5023 C CD . GLU D 73 ? 1.4664 0.6854 0.4229 -0.1693 -0.1269 -0.0116 72 GLU D CD 5024 O OE1 . GLU D 73 ? 1.4605 0.7083 0.4614 -0.1645 -0.1383 -0.0219 72 GLU D OE1 5025 O OE2 . GLU D 73 ? 1.6056 0.7336 0.4401 -0.1919 -0.1475 -0.0029 72 GLU D OE2 5026 N N . ASN D 74 ? 0.9419 0.4387 0.2652 -0.1005 0.0595 -0.0575 73 ASN D N 5027 C CA . ASN D 74 ? 0.8710 0.4189 0.2702 -0.0883 0.0684 -0.0678 73 ASN D CA 5028 C C . ASN D 74 ? 0.7850 0.3885 0.2684 -0.0745 0.1054 -0.0722 73 ASN D C 5029 O O . ASN D 74 ? 0.8072 0.3928 0.2787 -0.0797 0.1467 -0.0792 73 ASN D O 5030 C CB . ASN D 74 ? 0.9400 0.4379 0.2825 -0.1014 0.0859 -0.0857 73 ASN D CB 5031 C CG . ASN D 74 ? 1.0721 0.5131 0.3328 -0.1166 0.0391 -0.0815 73 ASN D CG 5032 O OD1 . ASN D 74 ? 1.0905 0.5613 0.3898 -0.1100 -0.0110 -0.0675 73 ASN D OD1 5033 N ND2 . ASN D 74 ? 1.1442 0.4994 0.2928 -0.1384 0.0553 -0.0941 73 ASN D ND2 5034 N N . PHE D 75 ? 0.6896 0.3558 0.2566 -0.0588 0.0896 -0.0680 74 PHE D N 5035 C CA . PHE D 75 ? 0.6261 0.3431 0.2733 -0.0465 0.1120 -0.0704 74 PHE D CA 5036 C C . PHE D 75 ? 0.5979 0.3436 0.2928 -0.0393 0.1047 -0.0749 74 PHE D C 5037 O O . PHE D 75 ? 0.5796 0.3458 0.2908 -0.0346 0.0727 -0.0671 74 PHE D O 5038 C CB . PHE D 75 ? 0.5720 0.3285 0.2600 -0.0364 0.0938 -0.0568 74 PHE D CB 5039 C CG . PHE D 75 ? 0.5035 0.3002 0.2593 -0.0277 0.1126 -0.0578 74 PHE D CG 5040 C CD1 . PHE D 75 ? 0.4813 0.2717 0.2577 -0.0310 0.1489 -0.0680 74 PHE D CD1 5041 C CD2 . PHE D 75 ? 0.4014 0.2379 0.2011 -0.0174 0.0930 -0.0486 74 PHE D CD2 5042 C CE1 . PHE D 75 ? 0.4675 0.2938 0.3144 -0.0241 0.1579 -0.0669 74 PHE D CE1 5043 C CE2 . PHE D 75 ? 0.3811 0.2467 0.2338 -0.0121 0.1022 -0.0485 74 PHE D CE2 5044 C CZ . PHE D 75 ? 0.4075 0.2703 0.2880 -0.0152 0.1300 -0.0562 74 PHE D CZ 5045 N N . SER D 76 ? 0.5972 0.3425 0.3192 -0.0388 0.1358 -0.0872 75 SER D N 5046 C CA . SER D 76 ? 0.5633 0.3321 0.3338 -0.0321 0.1312 -0.0909 75 SER D CA 5047 C C . SER D 76 ? 0.5063 0.3229 0.3599 -0.0200 0.1355 -0.0859 75 SER D C 5048 O O . SER D 76 ? 0.4964 0.3209 0.3809 -0.0183 0.1568 -0.0875 75 SER D O 5049 C CB . SER D 76 ? 0.6207 0.3490 0.3660 -0.0400 0.1593 -0.1086 75 SER D CB 5050 O OG . SER D 76 ? 0.7178 0.4024 0.3868 -0.0517 0.1408 -0.1115 75 SER D OG 5051 N N . LEU D 77 ? 0.4698 0.3138 0.3583 -0.0134 0.1133 -0.0793 76 LEU D N 5052 C CA . LEU D 77 ? 0.4300 0.3085 0.3857 -0.0045 0.1105 -0.0731 76 LEU D CA 5053 C C . LEU D 77 ? 0.4356 0.3054 0.4169 -0.0038 0.1191 -0.0812 76 LEU D C 5054 O O . LEU D 77 ? 0.4442 0.3024 0.4032 -0.0070 0.1078 -0.0831 76 LEU D O 5055 C CB . LEU D 77 ? 0.3847 0.2918 0.3496 0.0003 0.0815 -0.0583 76 LEU D CB 5056 C CG . LEU D 77 ? 0.3745 0.3080 0.3889 0.0065 0.0732 -0.0490 76 LEU D CG 5057 C CD1 . LEU D 77 ? 0.3514 0.2906 0.3838 0.0072 0.0814 -0.0488 76 LEU D CD1 5058 C CD2 . LEU D 77 ? 0.3038 0.2537 0.3135 0.0084 0.0512 -0.0365 76 LEU D CD2 5059 N N . ILE D 78 ? 0.4360 0.3109 0.4715 0.0000 0.1385 -0.0860 77 ILE D N 5060 C CA . ILE D 78 ? 0.4622 0.3258 0.5314 0.0017 0.1514 -0.0952 77 ILE D CA 5061 C C . ILE D 78 ? 0.4297 0.3241 0.5761 0.0108 0.1347 -0.0827 77 ILE D C 5062 O O . ILE D 78 ? 0.4176 0.3309 0.6092 0.0146 0.1330 -0.0762 77 ILE D O 5063 C CB . ILE D 78 ? 0.5153 0.3473 0.5856 -0.0024 0.1961 -0.1149 77 ILE D CB 5064 C CG1 . ILE D 78 ? 0.5809 0.3740 0.5593 -0.0144 0.2104 -0.1239 77 ILE D CG1 5065 C CG2 . ILE D 78 ? 0.5496 0.3611 0.6454 -0.0014 0.2134 -0.1284 77 ILE D CG2 5066 C CD1 . ILE D 78 ? 0.6848 0.4407 0.6517 -0.0216 0.2621 -0.1422 77 ILE D CD1 5067 N N . LEU D 79 ? 0.4314 0.3270 0.5897 0.0127 0.1184 -0.0779 78 LEU D N 5068 C CA . LEU D 79 ? 0.4129 0.3266 0.6344 0.0194 0.0984 -0.0641 78 LEU D CA 5069 C C . LEU D 79 ? 0.4309 0.3279 0.7000 0.0225 0.1179 -0.0761 78 LEU D C 5070 O O . LEU D 79 ? 0.4449 0.3248 0.6938 0.0199 0.1179 -0.0815 78 LEU D O 5071 C CB . LEU D 79 ? 0.4066 0.3279 0.6020 0.0176 0.0687 -0.0487 78 LEU D CB 5072 C CG . LEU D 79 ? 0.4104 0.3466 0.5645 0.0150 0.0497 -0.0357 78 LEU D CG 5073 C CD1 . LEU D 79 ? 0.4189 0.3506 0.5216 0.0112 0.0610 -0.0450 78 LEU D CD1 5074 C CD2 . LEU D 79 ? 0.3612 0.2983 0.5009 0.0122 0.0316 -0.0235 78 LEU D CD2 5075 N N . GLU D 80 ? 0.4421 0.3429 0.7806 0.0277 0.1358 -0.0812 79 GLU D N 5076 C CA . GLU D 80 ? 0.4795 0.3618 0.8732 0.0316 0.1647 -0.0968 79 GLU D CA 5077 C C . GLU D 80 ? 0.4714 0.3563 0.9138 0.0373 0.1388 -0.0849 79 GLU D C 5078 O O . GLU D 80 ? 0.4981 0.3606 0.9586 0.0386 0.1577 -0.0983 79 GLU D O 5079 C CB . GLU D 80 ? 0.4859 0.3762 0.9607 0.0364 0.1914 -0.1036 79 GLU D CB 5080 C CG . GLU D 80 ? 0.5506 0.4345 0.9817 0.0294 0.2212 -0.1144 79 GLU D CG 5081 C CD . GLU D 80 ? 0.6714 0.5132 1.0683 0.0230 0.2778 -0.1423 79 GLU D CD 5082 O OE1 . GLU D 80 ? 0.7073 0.5222 1.0977 0.0229 0.2923 -0.1555 79 GLU D OE1 5083 O OE2 . GLU D 80 ? 0.7382 0.5681 1.1084 0.0164 0.3093 -0.1514 79 GLU D OE2 5084 N N . LEU D 81 ? 0.4469 0.3531 0.9038 0.0393 0.0963 -0.0598 80 LEU D N 5085 C CA . LEU D 81 ? 0.4564 0.3608 0.9548 0.0430 0.0674 -0.0437 80 LEU D CA 5086 C C . LEU D 81 ? 0.4395 0.3511 0.8775 0.0370 0.0303 -0.0213 80 LEU D C 5087 O O . LEU D 81 ? 0.4347 0.3564 0.8853 0.0369 -0.0010 -0.0012 80 LEU D O 5088 C CB . LEU D 81 ? 0.4599 0.3751 1.0649 0.0516 0.0529 -0.0330 80 LEU D CB 5089 C CG . LEU D 81 ? 0.4996 0.4071 1.1979 0.0598 0.0894 -0.0522 80 LEU D CG 5090 C CD1 . LEU D 81 ? 0.5243 0.4480 1.3427 0.0683 0.0638 -0.0362 80 LEU D CD1 5091 C CD2 . LEU D 81 ? 0.4903 0.3709 1.1908 0.0615 0.1088 -0.0658 80 LEU D CD2 5092 N N . ALA D 82 ? 0.4294 0.3320 0.8019 0.0306 0.0344 -0.0253 81 ALA D N 5093 C CA . ALA D 82 ? 0.4122 0.3219 0.7273 0.0241 0.0109 -0.0081 81 ALA D CA 5094 C C . ALA D 82 ? 0.4124 0.3172 0.7495 0.0236 -0.0222 0.0172 81 ALA D C 5095 O O . ALA D 82 ? 0.4143 0.3067 0.7992 0.0268 -0.0288 0.0214 81 ALA D O 5096 C CB . ALA D 82 ? 0.4122 0.3137 0.6750 0.0174 0.0200 -0.0160 81 ALA D CB 5097 N N . THR D 83 ? 0.4005 0.3091 0.6988 0.0186 -0.0430 0.0337 82 THR D N 5098 C CA . THR D 83 ? 0.4253 0.3176 0.7171 0.0136 -0.0756 0.0595 82 THR D CA 5099 C C . THR D 83 ? 0.4236 0.3093 0.6378 0.0033 -0.0750 0.0685 82 THR D C 5100 O O . THR D 83 ? 0.4074 0.3064 0.5843 0.0019 -0.0585 0.0581 82 THR D O 5101 C CB . THR D 83 ? 0.4359 0.3268 0.7454 0.0138 -0.1052 0.0732 82 THR D CB 5102 O OG1 . THR D 83 ? 0.4166 0.3154 0.6683 0.0090 -0.1007 0.0701 82 THR D OG1 5103 C CG2 . THR D 83 ? 0.4281 0.3311 0.8309 0.0242 -0.1034 0.0641 82 THR D CG2 5104 N N . PRO D 84 ? 0.4582 0.3205 0.6505 -0.0044 -0.0921 0.0890 83 PRO D N 5105 C CA . PRO D 84 ? 0.4723 0.3243 0.5949 -0.0157 -0.0844 0.0976 83 PRO D CA 5106 C C . PRO D 84 ? 0.4753 0.3296 0.5461 -0.0194 -0.0834 0.0971 83 PRO D C 5107 O O . PRO D 84 ? 0.4765 0.3336 0.5038 -0.0248 -0.0630 0.0934 83 PRO D O 5108 C CB . PRO D 84 ? 0.5236 0.3404 0.6311 -0.0246 -0.1074 0.1231 83 PRO D CB 5109 C CG . PRO D 84 ? 0.5076 0.3238 0.6888 -0.0161 -0.1180 0.1224 83 PRO D CG 5110 C CD . PRO D 84 ? 0.4838 0.3244 0.7178 -0.0038 -0.1164 0.1055 83 PRO D CD 5111 N N . SER D 85 ? 0.4701 0.3239 0.5532 -0.0163 -0.1037 0.0992 84 SER D N 5112 C CA . SER D 85 ? 0.4767 0.3281 0.5090 -0.0208 -0.1042 0.0978 84 SER D CA 5113 C C . SER D 85 ? 0.4310 0.3138 0.4676 -0.0139 -0.0746 0.0755 84 SER D C 5114 O O . SER D 85 ? 0.4209 0.3039 0.4176 -0.0167 -0.0680 0.0714 84 SER D O 5115 C CB . SER D 85 ? 0.5037 0.3433 0.5520 -0.0212 -0.1400 0.1073 84 SER D CB 5116 O OG . SER D 85 ? 0.4662 0.3364 0.5749 -0.0106 -0.1334 0.0913 84 SER D OG 5117 N N . GLN D 86 ? 0.4038 0.3072 0.4835 -0.0063 -0.0574 0.0612 85 GLN D N 5118 C CA . GLN D 86 ? 0.3807 0.3054 0.4564 -0.0019 -0.0341 0.0426 85 GLN D CA 5119 C C . GLN D 86 ? 0.3737 0.3020 0.4250 -0.0056 -0.0171 0.0395 85 GLN D C 5120 O O . GLN D 86 ? 0.3694 0.3114 0.4175 -0.0032 -0.0033 0.0267 85 GLN D O 5121 C CB . GLN D 86 ? 0.3610 0.2967 0.4854 0.0059 -0.0248 0.0276 85 GLN D CB 5122 C CG . GLN D 86 ? 0.3915 0.3291 0.5532 0.0097 -0.0378 0.0297 85 GLN D CG 5123 C CD . GLN D 86 ? 0.4146 0.3589 0.6303 0.0165 -0.0210 0.0147 85 GLN D CD 5124 O OE1 . GLN D 86 ? 0.4386 0.3763 0.6806 0.0187 -0.0133 0.0100 85 GLN D OE1 5125 N NE2 . GLN D 86 ? 0.4247 0.3784 0.6562 0.0189 -0.0113 0.0057 85 GLN D NE2 5126 N N . THR D 87 ? 0.3969 0.3103 0.4330 -0.0128 -0.0195 0.0527 86 THR D N 5127 C CA . THR D 87 ? 0.3932 0.3104 0.4135 -0.0181 -0.0017 0.0521 86 THR D CA 5128 C C . THR D 87 ? 0.3897 0.3116 0.3771 -0.0189 0.0102 0.0485 86 THR D C 5129 O O . THR D 87 ? 0.4228 0.3270 0.3728 -0.0233 0.0058 0.0563 86 THR D O 5130 C CB . THR D 87 ? 0.4191 0.3143 0.4278 -0.0277 -0.0025 0.0689 86 THR D CB 5131 O OG1 . THR D 87 ? 0.4400 0.3338 0.4887 -0.0258 -0.0106 0.0688 86 THR D OG1 5132 C CG2 . THR D 87 ? 0.4215 0.3190 0.4176 -0.0351 0.0212 0.0699 86 THR D CG2 5133 N N . SER D 88 ? 0.3696 0.3108 0.3698 -0.0157 0.0233 0.0370 87 SER D N 5134 C CA . SER D 88 ? 0.3663 0.3132 0.3463 -0.0139 0.0340 0.0317 87 SER D CA 5135 C C . SER D 88 ? 0.3420 0.3090 0.3485 -0.0100 0.0412 0.0214 87 SER D C 5136 O O . SER D 88 ? 0.3256 0.2993 0.3592 -0.0101 0.0354 0.0177 87 SER D O 5137 C CB . SER D 88 ? 0.3621 0.3080 0.3296 -0.0090 0.0225 0.0273 87 SER D CB 5138 O OG . SER D 88 ? 0.3876 0.3252 0.3214 -0.0107 0.0294 0.0270 87 SER D OG 5139 N N . VAL D 89 ? 0.3314 0.3036 0.3292 -0.0074 0.0509 0.0171 88 VAL D N 5140 C CA . VAL D 89 ? 0.3182 0.3059 0.3401 -0.0026 0.0495 0.0091 88 VAL D CA 5141 C C . VAL D 89 ? 0.3216 0.3086 0.3252 0.0029 0.0415 0.0022 88 VAL D C 5142 O O . VAL D 89 ? 0.3282 0.3085 0.3078 0.0039 0.0464 0.0023 88 VAL D O 5143 C CB . VAL D 89 ? 0.3212 0.3156 0.3622 -0.0029 0.0675 0.0097 88 VAL D CB 5144 C CG1 . VAL D 89 ? 0.3206 0.3296 0.3964 0.0017 0.0572 0.0044 88 VAL D CG1 5145 C CG2 . VAL D 89 ? 0.3139 0.3064 0.3743 -0.0107 0.0823 0.0173 88 VAL D CG2 5146 N N . TYR D 90 ? 0.3056 0.2941 0.3159 0.0046 0.0302 -0.0039 89 TYR D N 5147 C CA . TYR D 90 ? 0.3007 0.2846 0.2933 0.0079 0.0264 -0.0101 89 TYR D CA 5148 C C . TYR D 90 ? 0.3085 0.2936 0.3025 0.0101 0.0215 -0.0126 89 TYR D C 5149 O O . TYR D 90 ? 0.3174 0.3034 0.3280 0.0082 0.0115 -0.0123 89 TYR D O 5150 C CB . TYR D 90 ? 0.2921 0.2662 0.2802 0.0063 0.0224 -0.0160 89 TYR D CB 5151 C CG . TYR D 90 ? 0.2937 0.2665 0.2905 0.0060 0.0243 -0.0126 89 TYR D CG 5152 C CD1 . TYR D 90 ? 0.2693 0.2414 0.2810 0.0031 0.0221 -0.0072 89 TYR D CD1 5153 C CD2 . TYR D 90 ? 0.2911 0.2621 0.2872 0.0080 0.0253 -0.0130 89 TYR D CD2 5154 C CE1 . TYR D 90 ? 0.2736 0.2406 0.2949 0.0027 0.0189 -0.0012 89 TYR D CE1 5155 C CE2 . TYR D 90 ? 0.3240 0.2925 0.3376 0.0077 0.0199 -0.0074 89 TYR D CE2 5156 C CZ . TYR D 90 ? 0.3048 0.2700 0.3288 0.0052 0.0157 -0.0008 89 TYR D CZ 5157 O OH . TYR D 90 ? 0.3104 0.2689 0.3522 0.0047 0.0058 0.0073 89 TYR D OH 5158 N N . PHE D 91 ? 0.3125 0.2952 0.2917 0.0135 0.0248 -0.0142 90 PHE D N 5159 C CA . PHE D 91 ? 0.3269 0.3067 0.3077 0.0160 0.0174 -0.0147 90 PHE D CA 5160 C C . PHE D 91 ? 0.3478 0.3129 0.2990 0.0151 0.0154 -0.0183 90 PHE D C 5161 O O . PHE D 91 ? 0.3571 0.3215 0.2978 0.0156 0.0245 -0.0202 90 PHE D O 5162 C CB . PHE D 91 ? 0.3079 0.2947 0.3036 0.0209 0.0269 -0.0132 90 PHE D CB 5163 C CG . PHE D 91 ? 0.3098 0.3083 0.3397 0.0211 0.0362 -0.0103 90 PHE D CG 5164 C CD1 . PHE D 91 ? 0.3270 0.3246 0.3475 0.0183 0.0542 -0.0092 90 PHE D CD1 5165 C CD2 . PHE D 91 ? 0.3093 0.3160 0.3820 0.0226 0.0269 -0.0076 90 PHE D CD2 5166 C CE1 . PHE D 91 ? 0.3092 0.3131 0.3592 0.0166 0.0706 -0.0066 90 PHE D CE1 5167 C CE2 . PHE D 91 ? 0.2942 0.3136 0.4116 0.0222 0.0404 -0.0052 90 PHE D CE2 5168 C CZ . PHE D 91 ? 0.3137 0.3313 0.4180 0.0190 0.0664 -0.0053 90 PHE D CZ 5169 N N . CYS D 92 ? 0.3605 0.3101 0.2977 0.0121 0.0021 -0.0184 91 CYS D N 5170 C CA . CYS D 92 ? 0.4028 0.3299 0.3041 0.0088 0.0019 -0.0205 91 CYS D CA 5171 C C . CYS D 92 ? 0.3888 0.3129 0.2937 0.0128 -0.0069 -0.0151 91 CYS D C 5172 O O . CYS D 92 ? 0.3864 0.3200 0.3224 0.0166 -0.0190 -0.0103 91 CYS D O 5173 C CB . CYS D 92 ? 0.4469 0.3460 0.3160 0.0003 -0.0103 -0.0228 91 CYS D CB 5174 S SG . CYS D 92 ? 0.6610 0.5210 0.4715 -0.0070 -0.0044 -0.0248 91 CYS D SG 5175 N N . ALA D 93 ? 0.3886 0.2983 0.2688 0.0117 -0.0007 -0.0155 92 ALA D N 5176 C CA . ALA D 93 ? 0.3950 0.2942 0.2749 0.0146 -0.0118 -0.0094 92 ALA D CA 5177 C C . ALA D 93 ? 0.4344 0.3008 0.2667 0.0071 -0.0109 -0.0080 92 ALA D C 5178 O O . ALA D 93 ? 0.4577 0.3160 0.2675 0.0013 0.0075 -0.0139 92 ALA D O 5179 C CB . ALA D 93 ? 0.3521 0.2703 0.2623 0.0229 -0.0004 -0.0107 92 ALA D CB 5180 N N . SER D 94 ? 0.4577 0.3026 0.2779 0.0065 -0.0298 0.0004 93 SER D N 5181 C CA . SER D 94 ? 0.5101 0.3179 0.2792 -0.0020 -0.0269 0.0038 93 SER D CA 5182 C C . SER D 94 ? 0.5051 0.3102 0.2911 0.0039 -0.0339 0.0110 93 SER D C 5183 O O . SER D 94 ? 0.4963 0.3248 0.3323 0.0146 -0.0421 0.0123 93 SER D O 5184 C CB . SER D 94 ? 0.5580 0.3221 0.2720 -0.0136 -0.0484 0.0096 93 SER D CB 5185 O OG . SER D 94 ? 0.5956 0.3470 0.3204 -0.0108 -0.0824 0.0225 93 SER D OG 5186 N N . GLY D 95 ? 0.5326 0.3068 0.2789 -0.0033 -0.0269 0.0147 94 GLY D N 5187 C CA . GLY D 95 ? 0.5306 0.2953 0.2884 0.0010 -0.0334 0.0220 94 GLY D CA 5188 C C . GLY D 95 ? 0.5779 0.2994 0.2797 -0.0113 -0.0252 0.0280 94 GLY D C 5189 O O . GLY D 95 ? 0.6023 0.3058 0.2622 -0.0229 -0.0042 0.0233 94 GLY D O 5190 N N . ASP D 96 ? 0.6034 0.3048 0.3061 -0.0094 -0.0387 0.0384 95 ASP D N 5191 C CA . ASP D 96 ? 0.6507 0.3086 0.3010 -0.0222 -0.0280 0.0455 95 ASP D CA 5192 C C . ASP D 96 ? 0.6099 0.2892 0.2967 -0.0185 -0.0034 0.0380 95 ASP D C 5193 O O . ASP D 96 ? 0.5433 0.2644 0.2730 -0.0117 0.0119 0.0248 95 ASP D O 5194 C CB . ASP D 96 ? 0.7187 0.3268 0.3322 -0.0268 -0.0631 0.0651 95 ASP D CB 5195 C CG . ASP D 96 ? 0.7352 0.3625 0.4162 -0.0102 -0.0891 0.0713 95 ASP D CG 5196 O OD1 . ASP D 96 ? 0.7877 0.3858 0.4623 -0.0102 -0.1284 0.0875 95 ASP D OD1 5197 O OD2 . ASP D 96 ? 0.6889 0.3552 0.4289 0.0018 -0.0714 0.0602 95 ASP D OD2 5198 N N . GLU D 97 ? 0.6458 0.2931 0.3136 -0.0242 -0.0026 0.0472 96 GLU D N 5199 C CA . GLU D 97 ? 0.6274 0.2905 0.3296 -0.0227 0.0172 0.0400 96 GLU D CA 5200 C C . GLU D 97 ? 0.5869 0.2813 0.3493 -0.0063 0.0069 0.0333 96 GLU D C 5201 O O . GLU D 97 ? 0.5594 0.2712 0.3490 -0.0054 0.0220 0.0229 96 GLU D O 5202 C CB . GLU D 97 ? 0.6848 0.3014 0.3483 -0.0358 0.0251 0.0514 96 GLU D CB 5203 C CG . GLU D 97 ? 0.7425 0.3247 0.3966 -0.0320 -0.0055 0.0682 96 GLU D CG 5204 C CD . GLU D 97 ? 0.8402 0.3774 0.4343 -0.0390 -0.0343 0.0852 96 GLU D CD 5205 O OE1 . GLU D 97 ? 0.8909 0.3833 0.4596 -0.0425 -0.0583 0.1034 96 GLU D OE1 5206 O OE2 . GLU D 97 ? 0.8389 0.3815 0.4096 -0.0420 -0.0358 0.0809 96 GLU D OE2 5207 N N . GLY D 98 ? 0.5887 0.2861 0.3720 0.0050 -0.0177 0.0386 97 GLY D N 5208 C CA . GLY D 98 ? 0.5557 0.2755 0.3958 0.0203 -0.0211 0.0311 97 GLY D CA 5209 C C . GLY D 98 ? 0.5292 0.2900 0.3952 0.0258 -0.0051 0.0146 97 GLY D C 5210 O O . GLY D 98 ? 0.5161 0.2898 0.3632 0.0189 0.0046 0.0105 97 GLY D O 5211 N N . TYR D 99 ? 0.5158 0.2929 0.4230 0.0375 -0.0010 0.0054 98 TYR D N 5212 C CA . TYR D 99 ? 0.5067 0.3122 0.4241 0.0395 0.0154 -0.0091 98 TYR D CA 5213 C C . TYR D 99 ? 0.4992 0.3284 0.4345 0.0447 0.0122 -0.0090 98 TYR D C 5214 O O . TYR D 99 ? 0.4975 0.3457 0.4290 0.0429 0.0242 -0.0176 98 TYR D O 5215 C CB . TYR D 99 ? 0.5016 0.3039 0.4357 0.0446 0.0299 -0.0229 98 TYR D CB 5216 C CG . TYR D 99 ? 0.5095 0.3042 0.4848 0.0573 0.0293 -0.0233 98 TYR D CG 5217 C CD1 . TYR D 99 ? 0.5131 0.2823 0.4987 0.0601 0.0255 -0.0210 98 TYR D CD1 5218 C CD2 . TYR D 99 ? 0.5277 0.3408 0.5403 0.0666 0.0340 -0.0259 98 TYR D CD2 5219 C CE1 . TYR D 99 ? 0.5548 0.3168 0.5900 0.0731 0.0256 -0.0216 98 TYR D CE1 5220 C CE2 . TYR D 99 ? 0.5150 0.3232 0.5816 0.0790 0.0365 -0.0268 98 TYR D CE2 5221 C CZ . TYR D 99 ? 0.5548 0.3378 0.6344 0.0830 0.0323 -0.0251 98 TYR D CZ 5222 O OH . TYR D 99 ? 0.5834 0.3619 0.7287 0.0969 0.0356 -0.0264 98 TYR D OH 5223 N N . THR D 100 ? 0.4968 0.3216 0.4509 0.0493 -0.0073 0.0021 99 THR D N 5224 C CA . THR D 100 ? 0.4762 0.3227 0.4600 0.0541 -0.0126 0.0026 99 THR D CA 5225 C C . THR D 100 ? 0.4588 0.3125 0.4088 0.0449 -0.0165 0.0044 99 THR D C 5226 O O . THR D 100 ? 0.4840 0.3163 0.3937 0.0361 -0.0284 0.0123 99 THR D O 5227 C CB . THR D 100 ? 0.4855 0.3232 0.5097 0.0609 -0.0400 0.0156 99 THR D CB 5228 O OG1 . THR D 100 ? 0.5049 0.3347 0.5695 0.0707 -0.0351 0.0136 99 THR D OG1 5229 C CG2 . THR D 100 ? 0.4758 0.3397 0.5480 0.0660 -0.0437 0.0149 99 THR D CG2 5230 N N . GLN D 101 ? 0.4190 0.2978 0.3830 0.0463 -0.0047 -0.0029 100 GLN D N 5231 C CA . GLN D 101 ? 0.4048 0.2901 0.3471 0.0392 -0.0100 -0.0014 100 GLN D CA 5232 C C . GLN D 101 ? 0.4029 0.2994 0.3822 0.0429 -0.0262 0.0037 100 GLN D C 5233 O O . GLN D 101 ? 0.3862 0.2999 0.4160 0.0511 -0.0188 0.0010 100 GLN D O 5234 C CB . GLN D 101 ? 0.3927 0.2942 0.3231 0.0359 0.0105 -0.0111 100 GLN D CB 5235 C CG . GLN D 101 ? 0.4058 0.2958 0.3070 0.0297 0.0201 -0.0145 100 GLN D CG 5236 C CD . GLN D 101 ? 0.4212 0.3249 0.3166 0.0252 0.0312 -0.0209 100 GLN D CD 5237 O OE1 . GLN D 101 ? 0.3823 0.2999 0.2846 0.0255 0.0316 -0.0217 100 GLN D OE1 5238 N NE2 . GLN D 101 ? 0.4002 0.2984 0.2878 0.0205 0.0372 -0.0243 100 GLN D NE2 5239 N N . TYR D 102 ? 0.4144 0.2970 0.3699 0.0356 -0.0479 0.0108 101 TYR D N 5240 C CA . TYR D 102 ? 0.4094 0.2992 0.4039 0.0373 -0.0710 0.0170 101 TYR D CA 5241 C C . TYR D 102 ? 0.3897 0.2967 0.3806 0.0328 -0.0622 0.0109 101 TYR D C 5242 O O . TYR D 102 ? 0.4069 0.2980 0.3467 0.0234 -0.0635 0.0090 101 TYR D O 5243 C CB . TYR D 102 ? 0.4529 0.3064 0.4193 0.0304 -0.1092 0.0303 101 TYR D CB 5244 C CG . TYR D 102 ? 0.4765 0.3118 0.4551 0.0358 -0.1212 0.0390 101 TYR D CG 5245 C CD1 . TYR D 102 ? 0.4488 0.2926 0.5027 0.0459 -0.1422 0.0469 101 TYR D CD1 5246 C CD2 . TYR D 102 ? 0.4872 0.2968 0.4116 0.0309 -0.1102 0.0395 101 TYR D CD2 5247 C CE1 . TYR D 102 ? 0.4693 0.2954 0.5412 0.0519 -0.1533 0.0550 101 TYR D CE1 5248 C CE2 . TYR D 102 ? 0.4967 0.2875 0.4340 0.0357 -0.1212 0.0480 101 TYR D CE2 5249 C CZ . TYR D 102 ? 0.5035 0.3020 0.5137 0.0467 -0.1435 0.0557 101 TYR D CZ 5250 O OH . TYR D 102 ? 0.5736 0.3515 0.6034 0.0525 -0.1559 0.0648 101 TYR D OH 5251 N N . PHE D 103 ? 0.3590 0.2949 0.4027 0.0386 -0.0491 0.0071 102 PHE D N 5252 C CA . PHE D 103 ? 0.3464 0.2969 0.3843 0.0340 -0.0376 0.0019 102 PHE D CA 5253 C C . PHE D 103 ? 0.3606 0.3079 0.4093 0.0278 -0.0630 0.0065 102 PHE D C 5254 O O . PHE D 103 ? 0.3584 0.3061 0.4504 0.0296 -0.0869 0.0139 102 PHE D O 5255 C CB . PHE D 103 ? 0.3139 0.2880 0.3850 0.0391 -0.0079 -0.0040 102 PHE D CB 5256 C CG . PHE D 103 ? 0.3440 0.3132 0.3804 0.0400 0.0143 -0.0107 102 PHE D CG 5257 C CD1 . PHE D 103 ? 0.3184 0.2800 0.3608 0.0457 0.0210 -0.0127 102 PHE D CD1 5258 C CD2 . PHE D 103 ? 0.3252 0.2942 0.3251 0.0344 0.0237 -0.0145 102 PHE D CD2 5259 C CE1 . PHE D 103 ? 0.3272 0.2801 0.3353 0.0444 0.0362 -0.0191 102 PHE D CE1 5260 C CE2 . PHE D 103 ? 0.3418 0.3039 0.3141 0.0336 0.0361 -0.0193 102 PHE D CE2 5261 C CZ . PHE D 103 ? 0.3350 0.2883 0.3089 0.0379 0.0418 -0.0219 102 PHE D CZ 5262 N N . GLY D 104 ? 0.3729 0.3139 0.3832 0.0200 -0.0599 0.0021 103 GLY D N 5263 C CA . GLY D 104 ? 0.3890 0.3280 0.4100 0.0133 -0.0785 0.0033 103 GLY D CA 5264 C C . GLY D 104 ? 0.3708 0.3421 0.4590 0.0176 -0.0665 0.0038 103 GLY D C 5265 O O . GLY D 104 ? 0.3579 0.3474 0.4721 0.0249 -0.0407 0.0020 103 GLY D O 5266 N N . PRO D 105 ? 0.3714 0.3454 0.4838 0.0114 -0.0826 0.0054 104 PRO D N 5267 C CA . PRO D 105 ? 0.3463 0.3490 0.5295 0.0136 -0.0699 0.0073 104 PRO D CA 5268 C C . PRO D 105 ? 0.3309 0.3437 0.5018 0.0113 -0.0409 0.0027 104 PRO D C 5269 O O . PRO D 105 ? 0.3214 0.3529 0.5418 0.0111 -0.0247 0.0048 104 PRO D O 5270 C CB . PRO D 105 ? 0.3657 0.3625 0.5846 0.0061 -0.1086 0.0128 104 PRO D CB 5271 C CG . PRO D 105 ? 0.3967 0.3575 0.5383 -0.0030 -0.1315 0.0098 104 PRO D CG 5272 C CD . PRO D 105 ? 0.4106 0.3552 0.4907 0.0007 -0.1182 0.0069 104 PRO D CD 5273 N N . GLY D 106 ? 0.3369 0.3350 0.4465 0.0086 -0.0350 -0.0023 105 GLY D N 5274 C CA . GLY D 106 ? 0.3276 0.3316 0.4267 0.0069 -0.0131 -0.0042 105 GLY D CA 5275 C C . GLY D 106 ? 0.3455 0.3412 0.4397 -0.0007 -0.0238 -0.0060 105 GLY D C 5276 O O . GLY D 106 ? 0.3494 0.3423 0.4686 -0.0060 -0.0454 -0.0045 105 GLY D O 5277 N N . THR D 107 ? 0.3348 0.3251 0.4011 -0.0017 -0.0106 -0.0088 106 THR D N 5278 C CA . THR D 107 ? 0.3412 0.3225 0.4063 -0.0078 -0.0153 -0.0112 106 THR D CA 5279 C C . THR D 107 ? 0.3249 0.3156 0.4024 -0.0076 0.0029 -0.0055 106 THR D C 5280 O O . THR D 107 ? 0.3285 0.3188 0.3856 -0.0040 0.0148 -0.0041 106 THR D O 5281 C CB . THR D 107 ? 0.3614 0.3193 0.3812 -0.0091 -0.0163 -0.0206 106 THR D CB 5282 O OG1 . THR D 107 ? 0.4323 0.3701 0.4236 -0.0124 -0.0326 -0.0251 106 THR D OG1 5283 C CG2 . THR D 107 ? 0.3512 0.2966 0.3722 -0.0143 -0.0167 -0.0253 106 THR D CG2 5284 N N . ARG D 108 ? 0.3240 0.3181 0.4315 -0.0132 0.0020 -0.0015 107 ARG D N 5285 C CA . ARG D 108 ? 0.3400 0.3348 0.4519 -0.0155 0.0178 0.0062 107 ARG D CA 5286 C C . ARG D 108 ? 0.3343 0.3141 0.4334 -0.0175 0.0118 0.0037 107 ARG D C 5287 O O . ARG D 108 ? 0.3435 0.3148 0.4535 -0.0221 0.0001 -0.0016 107 ARG D O 5288 C CB . ARG D 108 ? 0.3410 0.3462 0.4977 -0.0217 0.0259 0.0135 107 ARG D CB 5289 C CG . ARG D 108 ? 0.4260 0.4477 0.6167 -0.0191 0.0320 0.0140 107 ARG D CG 5290 C CD . ARG D 108 ? 0.5585 0.5932 0.8135 -0.0259 0.0424 0.0202 107 ARG D CD 5291 N NE . ARG D 108 ? 0.6692 0.7103 0.9386 -0.0246 0.0765 0.0239 107 ARG D NE 5292 C CZ . ARG D 108 ? 0.7403 0.7660 0.9677 -0.0279 0.1041 0.0288 107 ARG D CZ 5293 N NH1 . ARG D 108 ? 0.7579 0.7653 0.9375 -0.0313 0.0968 0.0329 107 ARG D NH1 5294 N NH2 . ARG D 108 ? 0.7586 0.7819 0.9901 -0.0285 0.1383 0.0294 107 ARG D NH2 5295 N N . LEU D 109 ? 0.3260 0.2994 0.4046 -0.0144 0.0181 0.0072 108 LEU D N 5296 C CA . LEU D 109 ? 0.3224 0.2823 0.4030 -0.0148 0.0135 0.0059 108 LEU D CA 5297 C C . LEU D 109 ? 0.3349 0.2874 0.4201 -0.0185 0.0164 0.0204 108 LEU D C 5298 O O . LEU D 109 ? 0.3500 0.2998 0.4152 -0.0190 0.0211 0.0303 108 LEU D O 5299 C CB . LEU D 109 ? 0.3083 0.2627 0.3742 -0.0085 0.0132 -0.0021 108 LEU D CB 5300 C CG . LEU D 109 ? 0.3282 0.2696 0.4106 -0.0070 0.0118 -0.0035 108 LEU D CG 5301 C CD1 . LEU D 109 ? 0.2983 0.2252 0.3869 -0.0104 0.0116 -0.0165 108 LEU D CD1 5302 C CD2 . LEU D 109 ? 0.3214 0.2627 0.4047 -0.0006 0.0148 -0.0073 108 LEU D CD2 5303 N N . LEU D 110 ? 0.3406 0.2834 0.4461 -0.0226 0.0121 0.0219 109 LEU D N 5304 C CA . LEU D 110 ? 0.3474 0.2762 0.4553 -0.0267 0.0111 0.0370 109 LEU D CA 5305 C C . LEU D 110 ? 0.3591 0.2748 0.4851 -0.0226 0.0016 0.0327 109 LEU D C 5306 O O . LEU D 110 ? 0.3644 0.2758 0.5078 -0.0231 0.0007 0.0202 109 LEU D O 5307 C CB . LEU D 110 ? 0.3498 0.2770 0.4752 -0.0366 0.0180 0.0451 109 LEU D CB 5308 C CG . LEU D 110 ? 0.3905 0.2959 0.5172 -0.0434 0.0164 0.0618 109 LEU D CG 5309 C CD1 . LEU D 110 ? 0.4055 0.2941 0.4903 -0.0465 0.0190 0.0787 109 LEU D CD1 5310 C CD2 . LEU D 110 ? 0.3315 0.2369 0.4846 -0.0541 0.0257 0.0669 109 LEU D CD2 5311 N N . VAL D 111 ? 0.3699 0.2765 0.4937 -0.0190 -0.0065 0.0423 110 VAL D N 5312 C CA . VAL D 111 ? 0.3737 0.2672 0.5305 -0.0142 -0.0154 0.0415 110 VAL D CA 5313 C C . VAL D 111 ? 0.4068 0.2800 0.5698 -0.0203 -0.0266 0.0619 110 VAL D C 5314 O O . VAL D 111 ? 0.4351 0.2970 0.5738 -0.0238 -0.0373 0.0800 110 VAL D O 5315 C CB . VAL D 111 ? 0.3742 0.2705 0.5401 -0.0063 -0.0229 0.0413 110 VAL D CB 5316 C CG1 . VAL D 111 ? 0.3470 0.2351 0.5640 0.0009 -0.0248 0.0341 110 VAL D CG1 5317 C CG2 . VAL D 111 ? 0.3498 0.2636 0.4947 -0.0029 -0.0119 0.0274 110 VAL D CG2 5318 N N . LEU D 112 ? 0.4204 0.2834 0.6093 -0.0232 -0.0254 0.0596 111 LEU D N 5319 C CA . LEU D 112 ? 0.4619 0.3010 0.6604 -0.0293 -0.0365 0.0800 111 LEU D CA 5320 C C . LEU D 112 ? 0.4806 0.3048 0.7217 -0.0210 -0.0526 0.0832 111 LEU D C 5321 O O . LEU D 112 ? 0.4689 0.3005 0.7437 -0.0112 -0.0465 0.0640 111 LEU D O 5322 C CB . LEU D 112 ? 0.4648 0.2983 0.6771 -0.0377 -0.0283 0.0774 111 LEU D CB 5323 C CG . LEU D 112 ? 0.4659 0.3141 0.6565 -0.0471 -0.0135 0.0773 111 LEU D CG 5324 C CD1 . LEU D 112 ? 0.4298 0.2785 0.6502 -0.0539 -0.0095 0.0671 111 LEU D CD1 5325 C CD2 . LEU D 112 ? 0.4766 0.3114 0.6332 -0.0570 -0.0086 0.1011 111 LEU D CD2 5326 N N . GLU D 113 ? 0.5210 0.3203 0.7620 -0.0255 -0.0721 0.1080 112 GLU D N 5327 C CA . GLU D 113 ? 0.5453 0.3297 0.8402 -0.0171 -0.0916 0.1137 112 GLU D CA 5328 C C . GLU D 113 ? 0.5349 0.3097 0.8778 -0.0143 -0.0828 0.1017 112 GLU D C 5329 O O . GLU D 113 ? 0.5297 0.2979 0.9325 -0.0039 -0.0877 0.0952 112 GLU D O 5330 C CB . GLU D 113 ? 0.6123 0.3664 0.8889 -0.0235 -0.1236 0.1467 112 GLU D CB 5331 C CG . GLU D 113 ? 0.6782 0.4376 0.9643 -0.0166 -0.1462 0.1515 112 GLU D CG 5332 C CD . GLU D 113 ? 0.7969 0.5254 1.0187 -0.0289 -0.1754 0.1808 112 GLU D CD 5333 O OE1 . GLU D 113 ? 0.8452 0.5360 1.0432 -0.0394 -0.1925 0.2053 112 GLU D OE1 5334 O OE2 . GLU D 113 ? 0.8407 0.5772 1.0299 -0.0296 -0.1811 0.1791 112 GLU D OE2 5335 N N . ASP D 114 ? 0.5239 0.2975 0.8457 -0.0239 -0.0684 0.0970 113 ASP D N 5336 C CA . ASP D 114 ? 0.5367 0.2959 0.8963 -0.0243 -0.0621 0.0854 113 ASP D CA 5337 C C . ASP D 114 ? 0.5131 0.2802 0.8489 -0.0351 -0.0463 0.0731 113 ASP D C 5338 O O . ASP D 114 ? 0.5094 0.2855 0.8100 -0.0451 -0.0427 0.0852 113 ASP D O 5339 C CB . ASP D 114 ? 0.5770 0.3047 0.9625 -0.0270 -0.0832 0.1114 113 ASP D CB 5340 C CG . ASP D 114 ? 0.6504 0.3586 1.0671 -0.0311 -0.0777 0.1046 113 ASP D CG 5341 O OD1 . ASP D 114 ? 0.7318 0.4335 1.1227 -0.0453 -0.0740 0.1153 113 ASP D OD1 5342 O OD2 . ASP D 114 ? 0.7193 0.4155 1.1897 -0.0213 -0.0758 0.0894 113 ASP D OD2 5343 N N . LEU D 115 ? 0.3821 0.5804 0.6907 0.0650 -0.1192 0.1231 114 LEU D N 5344 C CA . LEU D 115 ? 0.3651 0.5219 0.6382 0.0543 -0.0991 0.1200 114 LEU D CA 5345 C C . LEU D 115 ? 0.3796 0.5034 0.6300 0.0609 -0.0999 0.1421 114 LEU D C 5346 O O . LEU D 115 ? 0.3755 0.4669 0.6009 0.0526 -0.0863 0.1386 114 LEU D O 5347 C CB . LEU D 115 ? 0.3426 0.4856 0.6374 0.0535 -0.0742 0.1038 114 LEU D CB 5348 C CG . LEU D 115 ? 0.3447 0.5149 0.6658 0.0427 -0.0659 0.0871 114 LEU D CG 5349 C CD1 . LEU D 115 ? 0.3656 0.5277 0.7038 0.0458 -0.0372 0.0797 114 LEU D CD1 5350 C CD2 . LEU D 115 ? 0.3123 0.4832 0.6050 0.0244 -0.0685 0.0785 114 LEU D CD2 5351 N N . ARG D 116 ? 0.4014 0.5353 0.6657 0.0759 -0.1164 0.1666 115 ARG D N 5352 C CA . ARG D 116 ? 0.4255 0.5246 0.6907 0.0841 -0.1149 0.1923 115 ARG D CA 5353 C C . ARG D 116 ? 0.4284 0.5068 0.6508 0.0716 -0.1098 0.2054 115 ARG D C 5354 O O . ARG D 116 ? 0.4386 0.4787 0.6711 0.0721 -0.1013 0.2159 115 ARG D O 5355 C CB . ARG D 116 ? 0.4565 0.5734 0.7494 0.1047 -0.1333 0.2236 115 ARG D CB 5356 C CG . ARG D 116 ? 0.4947 0.6485 0.7520 0.1074 -0.1516 0.2498 115 ARG D CG 5357 C CD . ARG D 116 ? 0.5586 0.7457 0.8426 0.1321 -0.1736 0.2803 115 ARG D CD 5358 N NE . ARG D 116 ? 0.5843 0.8330 0.8359 0.1351 -0.1953 0.2794 115 ARG D NE 5359 C CZ . ARG D 116 ? 0.6056 0.8776 0.8084 0.1378 -0.2029 0.3046 115 ARG D CZ 5360 N NH1 . ARG D 116 ? 0.6460 0.8833 0.8328 0.1365 -0.1889 0.3396 115 ARG D NH1 5361 N NH2 . ARG D 116 ? 0.6184 0.9522 0.7921 0.1427 -0.2243 0.2935 115 ARG D NH2 5362 N N . ASN D 117 ? 0.4200 0.5248 0.6015 0.0607 -0.1148 0.2016 116 ASN D N 5363 C CA . ASN D 117 ? 0.4264 0.5190 0.5689 0.0504 -0.1089 0.2154 116 ASN D CA 5364 C C . ASN D 117 ? 0.3975 0.4704 0.5182 0.0325 -0.0932 0.1868 116 ASN D C 5365 O O . ASN D 117 ? 0.3958 0.4591 0.4883 0.0231 -0.0868 0.1937 116 ASN D O 5366 C CB . ASN D 117 ? 0.4493 0.5882 0.5565 0.0544 -0.1242 0.2325 116 ASN D CB 5367 C CG . ASN D 117 ? 0.5159 0.6719 0.6342 0.0745 -0.1373 0.2759 116 ASN D CG 5368 O OD1 . ASN D 117 ? 0.5704 0.7771 0.6766 0.0871 -0.1568 0.2828 116 ASN D OD1 5369 N ND2 . ASN D 117 ? 0.5434 0.6590 0.6894 0.0790 -0.1278 0.3051 116 ASN D ND2 5370 N N . VAL D 118 ? 0.3672 0.4364 0.5035 0.0293 -0.0855 0.1580 117 VAL D N 5371 C CA . VAL D 118 ? 0.3494 0.4032 0.4660 0.0156 -0.0706 0.1352 117 VAL D CA 5372 C C . VAL D 118 ? 0.3628 0.3793 0.4733 0.0129 -0.0606 0.1399 117 VAL D C 5373 O O . VAL D 118 ? 0.3647 0.3601 0.5032 0.0221 -0.0597 0.1454 117 VAL D O 5374 C CB . VAL D 118 ? 0.3261 0.3847 0.4654 0.0161 -0.0605 0.1122 117 VAL D CB 5375 C CG1 . VAL D 118 ? 0.3037 0.3470 0.4228 0.0061 -0.0442 0.0961 117 VAL D CG1 5376 C CG2 . VAL D 118 ? 0.2984 0.3961 0.4556 0.0152 -0.0720 0.1056 117 VAL D CG2 5377 N N . THR D 119 ? 0.3687 0.3791 0.4490 0.0008 -0.0546 0.1355 118 THR D N 5378 C CA . THR D 119 ? 0.3802 0.3617 0.4593 -0.0039 -0.0478 0.1394 118 THR D CA 5379 C C . THR D 119 ? 0.3640 0.3444 0.4139 -0.0157 -0.0394 0.1222 118 THR D C 5380 O O . THR D 119 ? 0.3576 0.3589 0.3829 -0.0221 -0.0412 0.1226 118 THR D O 5381 C CB . THR D 119 ? 0.4025 0.3853 0.4821 -0.0042 -0.0530 0.1735 118 THR D CB 5382 O OG1 . THR D 119 ? 0.4582 0.4512 0.5598 0.0089 -0.0632 0.1954 118 THR D OG1 5383 C CG2 . THR D 119 ? 0.4021 0.3518 0.5038 -0.0089 -0.0461 0.1783 118 THR D CG2 5384 N N . PRO D 120 ? 0.3680 0.3267 0.4219 -0.0164 -0.0316 0.1051 119 PRO D N 5385 C CA . PRO D 120 ? 0.3590 0.3196 0.3868 -0.0250 -0.0249 0.0913 119 PRO D CA 5386 C C . PRO D 120 ? 0.3743 0.3318 0.3938 -0.0350 -0.0251 0.1035 119 PRO D C 5387 O O . PRO D 120 ? 0.3874 0.3358 0.4269 -0.0353 -0.0279 0.1230 119 PRO D O 5388 C CB . PRO D 120 ? 0.3467 0.2936 0.3809 -0.0179 -0.0189 0.0694 119 PRO D CB 5389 C CG . PRO D 120 ? 0.3685 0.2971 0.4359 -0.0108 -0.0238 0.0703 119 PRO D CG 5390 C CD . PRO D 120 ? 0.3789 0.3157 0.4612 -0.0071 -0.0300 0.0929 119 PRO D CD 5391 N N . PRO D 121 ? 0.3708 0.3373 0.3662 -0.0426 -0.0206 0.0948 120 PRO D N 5392 C CA . PRO D 121 ? 0.3903 0.3608 0.3794 -0.0516 -0.0182 0.1066 120 PRO D CA 5393 C C . PRO D 121 ? 0.4052 0.3555 0.4168 -0.0555 -0.0160 0.1013 120 PRO D C 5394 O O . PRO D 121 ? 0.4196 0.3567 0.4399 -0.0502 -0.0171 0.0791 120 PRO D O 5395 C CB . PRO D 121 ? 0.3751 0.3618 0.3372 -0.0559 -0.0145 0.0927 120 PRO D CB 5396 C CG . PRO D 121 ? 0.3596 0.3387 0.3215 -0.0501 -0.0123 0.0730 120 PRO D CG 5397 C CD . PRO D 121 ? 0.3432 0.3183 0.3222 -0.0422 -0.0161 0.0775 120 PRO D CD 5398 N N . LYS D 122 ? 0.4233 0.3756 0.4469 -0.0636 -0.0128 0.1208 121 LYS D N 5399 C CA . LYS D 122 ? 0.4323 0.3745 0.4787 -0.0716 -0.0101 0.1116 121 LYS D CA 5400 C C . LYS D 122 ? 0.4093 0.3724 0.4271 -0.0770 -0.0046 0.1037 121 LYS D C 5401 O O . LYS D 122 ? 0.4018 0.3876 0.3925 -0.0775 -0.0007 0.1158 121 LYS D O 5402 C CB . LYS D 122 ? 0.4552 0.3890 0.5432 -0.0791 -0.0063 0.1401 121 LYS D CB 5403 C CG . LYS D 122 ? 0.5421 0.4476 0.6747 -0.0734 -0.0125 0.1433 121 LYS D CG 5404 C CD . LYS D 122 ? 0.6091 0.5006 0.7999 -0.0824 -0.0071 0.1740 121 LYS D CD 5405 C CE . LYS D 122 ? 0.6686 0.5432 0.8918 -0.0740 -0.0096 0.2029 121 LYS D CE 5406 N NZ . LYS D 122 ? 0.7188 0.5800 1.0041 -0.0825 -0.0011 0.2435 121 LYS D NZ 5407 N N . VAL D 123 ? 0.3869 0.3459 0.4121 -0.0788 -0.0057 0.0810 122 VAL D N 5408 C CA . VAL D 123 ? 0.3700 0.3477 0.3741 -0.0817 -0.0011 0.0732 122 VAL D CA 5409 C C . VAL D 123 ? 0.3801 0.3606 0.4153 -0.0905 0.0004 0.0694 122 VAL D C 5410 O O . VAL D 123 ? 0.3779 0.3451 0.4425 -0.0901 -0.0071 0.0518 122 VAL D O 5411 C CB . VAL D 123 ? 0.3640 0.3417 0.3436 -0.0719 -0.0041 0.0502 122 VAL D CB 5412 C CG1 . VAL D 123 ? 0.3480 0.3423 0.3134 -0.0731 0.0000 0.0422 122 VAL D CG1 5413 C CG2 . VAL D 123 ? 0.3642 0.3414 0.3245 -0.0655 -0.0041 0.0546 122 VAL D CG2 5414 N N . SER D 124 ? 0.3754 0.3776 0.4067 -0.0974 0.0100 0.0829 123 SER D N 5415 C CA . SER D 124 ? 0.3777 0.3892 0.4431 -0.1068 0.0139 0.0812 123 SER D CA 5416 C C . SER D 124 ? 0.3754 0.4120 0.4168 -0.1048 0.0190 0.0702 123 SER D C 5417 O O . SER D 124 ? 0.3821 0.4341 0.3874 -0.1001 0.0247 0.0749 123 SER D O 5418 C CB . SER D 124 ? 0.4005 0.4189 0.4977 -0.1175 0.0259 0.1167 123 SER D CB 5419 O OG . SER D 124 ? 0.4068 0.4020 0.5242 -0.1168 0.0223 0.1329 123 SER D OG 5420 N N . LEU D 125 ? 0.3745 0.4170 0.4407 -0.1071 0.0153 0.0524 124 LEU D N 5421 C CA . LEU D 125 ? 0.3662 0.4323 0.4202 -0.1039 0.0194 0.0417 124 LEU D CA 5422 C C . LEU D 125 ? 0.3735 0.4618 0.4684 -0.1161 0.0302 0.0536 124 LEU D C 5423 O O . LEU D 125 ? 0.3904 0.4721 0.5354 -0.1255 0.0261 0.0524 124 LEU D O 5424 C CB . LEU D 125 ? 0.3602 0.4216 0.4092 -0.0930 0.0058 0.0137 124 LEU D CB 5425 C CG . LEU D 125 ? 0.3920 0.4759 0.4365 -0.0870 0.0076 0.0025 124 LEU D CG 5426 C CD1 . LEU D 125 ? 0.3962 0.4872 0.4076 -0.0823 0.0182 0.0091 124 LEU D CD1 5427 C CD2 . LEU D 125 ? 0.3962 0.4778 0.4339 -0.0727 -0.0068 -0.0185 124 LEU D CD2 5428 N N . PHE D 126 ? 0.3753 0.4923 0.4542 -0.1160 0.0449 0.0645 125 PHE D N 5429 C CA . PHE D 126 ? 0.3639 0.5111 0.4805 -0.1261 0.0603 0.0792 125 PHE D CA 5430 C C . PHE D 126 ? 0.3628 0.5342 0.4847 -0.1210 0.0607 0.0570 125 PHE D C 5431 O O . PHE D 126 ? 0.3459 0.5232 0.4296 -0.1085 0.0595 0.0422 125 PHE D O 5432 C CB . PHE D 126 ? 0.3815 0.5536 0.4776 -0.1271 0.0802 0.1121 125 PHE D CB 5433 C CG . PHE D 126 ? 0.3769 0.5287 0.4730 -0.1303 0.0798 0.1395 125 PHE D CG 5434 C CD1 . PHE D 126 ? 0.3445 0.4768 0.3977 -0.1208 0.0685 0.1334 125 PHE D CD1 5435 C CD2 . PHE D 126 ? 0.3707 0.5205 0.5197 -0.1429 0.0899 0.1711 125 PHE D CD2 5436 C CE1 . PHE D 126 ? 0.3730 0.4876 0.4300 -0.1218 0.0666 0.1578 125 PHE D CE1 5437 C CE2 . PHE D 126 ? 0.3897 0.5175 0.5461 -0.1441 0.0888 0.1981 125 PHE D CE2 5438 C CZ . PHE D 126 ? 0.4140 0.5249 0.5218 -0.1326 0.0763 0.1908 125 PHE D CZ 5439 N N . GLU D 127 ? 0.3741 0.5607 0.5517 -0.1306 0.0624 0.0548 126 GLU D N 5440 C CA . GLU D 127 ? 0.3799 0.5899 0.5736 -0.1249 0.0586 0.0315 126 GLU D CA 5441 C C . GLU D 127 ? 0.3830 0.6368 0.5872 -0.1266 0.0819 0.0441 126 GLU D C 5442 O O . GLU D 127 ? 0.4132 0.6853 0.6462 -0.1389 0.1009 0.0729 126 GLU D O 5443 C CB . GLU D 127 ? 0.3812 0.5896 0.6356 -0.1323 0.0428 0.0138 126 GLU D CB 5444 C CG . GLU D 127 ? 0.4084 0.5837 0.6497 -0.1251 0.0181 -0.0077 126 GLU D CG 5445 C CD . GLU D 127 ? 0.4381 0.6207 0.7384 -0.1292 -0.0010 -0.0342 126 GLU D CD 5446 O OE1 . GLU D 127 ? 0.4570 0.6715 0.7992 -0.1323 -0.0008 -0.0436 126 GLU D OE1 5447 O OE2 . GLU D 127 ? 0.4927 0.6523 0.7998 -0.1280 -0.0176 -0.0493 126 GLU D OE2 5448 N N . PRO D 128 ? 0.3660 0.6382 0.5511 -0.1128 0.0817 0.0239 127 PRO D N 5449 C CA . PRO D 128 ? 0.3640 0.6806 0.5577 -0.1088 0.1012 0.0246 127 PRO D CA 5450 C C . PRO D 128 ? 0.3730 0.7242 0.6249 -0.1244 0.1205 0.0467 127 PRO D C 5451 O O . PRO D 128 ? 0.3601 0.7067 0.6701 -0.1366 0.1116 0.0447 127 PRO D O 5452 C CB . PRO D 128 ? 0.3547 0.6749 0.5587 -0.0955 0.0864 -0.0056 127 PRO D CB 5453 C CG . PRO D 128 ? 0.3501 0.6255 0.5249 -0.0877 0.0615 -0.0185 127 PRO D CG 5454 C CD . PRO D 128 ? 0.3474 0.5951 0.5009 -0.0973 0.0619 -0.0008 127 PRO D CD 5455 N N . SER D 129 ? 0.3917 0.7809 0.6286 -0.1226 0.1473 0.0670 128 SER D N 5456 C CA . SER D 129 ? 0.4060 0.8415 0.6941 -0.1334 0.1742 0.0930 128 SER D CA 5457 C C . SER D 129 ? 0.3921 0.8584 0.7254 -0.1298 0.1737 0.0683 128 SER D C 5458 O O . SER D 129 ? 0.3880 0.8633 0.6911 -0.1119 0.1686 0.0402 128 SER D O 5459 C CB . SER D 129 ? 0.4274 0.9034 0.6684 -0.1242 0.2022 0.1164 128 SER D CB 5460 O OG . SER D 129 ? 0.4654 0.9993 0.7475 -0.1280 0.2326 0.1371 128 SER D OG 5461 N N . LYS D 130 ? 0.3977 0.8799 0.8112 -0.1467 0.1780 0.0778 129 LYS D N 5462 C CA . LYS D 130 ? 0.3873 0.9083 0.8569 -0.1447 0.1789 0.0573 129 LYS D CA 5463 C C . LYS D 130 ? 0.3958 0.9736 0.8490 -0.1327 0.2108 0.0650 129 LYS D C 5464 O O . LYS D 130 ? 0.3923 0.9971 0.8554 -0.1188 0.2091 0.0379 129 LYS D O 5465 C CB . LYS D 130 ? 0.3946 0.9276 0.9649 -0.1682 0.1804 0.0688 129 LYS D CB 5466 N N . ALA D 131 ? 0.4093 1.0081 0.8365 -0.1356 0.2397 0.1020 130 ALA D N 5467 C CA . ALA D 131 ? 0.4258 1.0854 0.8257 -0.1209 0.2718 0.1092 130 ALA D CA 5468 C C . ALA D 131 ? 0.4186 1.0728 0.7448 -0.0949 0.2601 0.0700 130 ALA D C 5469 O O . ALA D 131 ? 0.4226 1.1216 0.7500 -0.0791 0.2737 0.0498 130 ALA D O 5470 C CB . ALA D 131 ? 0.4566 1.1440 0.8392 -0.1266 0.3038 0.1614 130 ALA D CB 5471 N N . GLU D 132 ? 0.4082 1.0088 0.6786 -0.0904 0.2357 0.0579 131 GLU D N 5472 C CA . GLU D 132 ? 0.4048 0.9919 0.6227 -0.0685 0.2213 0.0186 131 GLU D CA 5473 C C . GLU D 132 ? 0.3854 0.9658 0.6415 -0.0600 0.2048 -0.0153 131 GLU D C 5474 O O . GLU D 132 ? 0.3895 0.9943 0.6386 -0.0410 0.2099 -0.0428 131 GLU D O 5475 C CB . GLU D 132 ? 0.4039 0.9319 0.5706 -0.0683 0.1971 0.0141 131 GLU D CB 5476 C CG . GLU D 132 ? 0.4067 0.9192 0.5344 -0.0479 0.1833 -0.0253 131 GLU D CG 5477 C CD . GLU D 132 ? 0.4279 0.8817 0.5194 -0.0483 0.1587 -0.0317 131 GLU D CD 5478 O OE1 . GLU D 132 ? 0.4501 0.8697 0.5446 -0.0628 0.1482 -0.0101 131 GLU D OE1 5479 O OE2 . GLU D 132 ? 0.4233 0.8661 0.4888 -0.0334 0.1504 -0.0605 131 GLU D OE2 5480 N N . ILE D 133 ? 0.3643 0.9132 0.6613 -0.0718 0.1834 -0.0148 132 ILE D N 5481 C CA . ILE D 133 ? 0.3431 0.8883 0.6752 -0.0616 0.1640 -0.0429 132 ILE D CA 5482 C C . ILE D 133 ? 0.3575 0.9633 0.7358 -0.0533 0.1836 -0.0526 132 ILE D C 5483 O O . ILE D 133 ? 0.3586 0.9694 0.7394 -0.0332 0.1759 -0.0802 132 ILE D O 5484 C CB . ILE D 133 ? 0.3243 0.8404 0.6954 -0.0751 0.1382 -0.0413 132 ILE D CB 5485 C CG1 . ILE D 133 ? 0.3208 0.7772 0.6391 -0.0744 0.1163 -0.0417 132 ILE D CG1 5486 C CG2 . ILE D 133 ? 0.2676 0.7991 0.6833 -0.0631 0.1201 -0.0663 132 ILE D CG2 5487 C CD1 . ILE D 133 ? 0.3171 0.7461 0.6623 -0.0878 0.0941 -0.0395 132 ILE D CD1 5488 N N . SER D 134 ? 0.3666 1.0187 0.7857 -0.0676 0.2104 -0.0277 133 SER D N 5489 C CA . SER D 134 ? 0.3774 1.0924 0.8470 -0.0604 0.2316 -0.0350 133 SER D CA 5490 C C . SER D 134 ? 0.3981 1.1536 0.8238 -0.0394 0.2578 -0.0458 133 SER D C 5491 O O . SER D 134 ? 0.3947 1.1933 0.8491 -0.0233 0.2685 -0.0674 133 SER D O 5492 C CB . SER D 134 ? 0.3901 1.1446 0.9355 -0.0841 0.2523 -0.0036 133 SER D CB 5493 O OG . SER D 134 ? 0.4245 1.1777 0.9499 -0.0998 0.2734 0.0371 133 SER D OG 5494 N N . HIS D 135 ? 0.4114 1.1568 0.7695 -0.0374 0.2664 -0.0346 134 HIS D N 5495 C CA . HIS D 135 ? 0.4407 1.2322 0.7546 -0.0158 0.2896 -0.0497 134 HIS D CA 5496 C C . HIS D 135 ? 0.4388 1.2010 0.7195 0.0077 0.2685 -0.0977 134 HIS D C 5497 O O . HIS D 135 ? 0.4492 1.2537 0.7292 0.0295 0.2825 -0.1273 134 HIS D O 5498 C CB . HIS D 135 ? 0.4662 1.2733 0.7237 -0.0203 0.3083 -0.0180 134 HIS D CB 5499 C CG . HIS D 135 ? 0.4989 1.3693 0.7104 0.0036 0.3337 -0.0336 134 HIS D CG 5500 N ND1 . HIS D 135 ? 0.5081 1.4570 0.7481 0.0129 0.3683 -0.0293 134 HIS D ND1 5501 C CD2 . HIS D 135 ? 0.5122 1.3844 0.6527 0.0216 0.3288 -0.0572 134 HIS D CD2 5502 C CE1 . HIS D 135 ? 0.5437 1.5416 0.7270 0.0377 0.3840 -0.0510 134 HIS D CE1 5503 N NE2 . HIS D 135 ? 0.5599 1.5126 0.6836 0.0432 0.3589 -0.0703 134 HIS D NE2 5504 N N . THR D 136 ? 0.4149 1.1068 0.6754 0.0040 0.2367 -0.1050 135 THR D N 5505 C CA . THR D 136 ? 0.4256 1.0824 0.6575 0.0233 0.2181 -0.1429 135 THR D CA 5506 C C . THR D 136 ? 0.4031 1.0109 0.6681 0.0283 0.1895 -0.1566 135 THR D C 5507 O O . THR D 136 ? 0.4049 0.9890 0.6667 0.0465 0.1779 -0.1858 135 THR D O 5508 C CB . THR D 136 ? 0.4290 1.0475 0.5982 0.0192 0.2074 -0.1391 135 THR D CB 5509 O OG1 . THR D 136 ? 0.4119 0.9800 0.5811 -0.0004 0.1892 -0.1114 135 THR D OG1 5510 C CG2 . THR D 136 ? 0.4649 1.1347 0.5898 0.0200 0.2322 -0.1255 135 THR D CG2 5511 N N . GLN D 137 ? 0.3879 0.9831 0.6870 0.0133 0.1780 -0.1351 136 GLN D N 5512 C CA . GLN D 137 ? 0.3723 0.9231 0.6908 0.0181 0.1479 -0.1406 136 GLN D CA 5513 C C . GLN D 137 ? 0.3634 0.8516 0.6354 0.0173 0.1282 -0.1381 136 GLN D C 5514 O O . GLN D 137 ? 0.3537 0.8064 0.6304 0.0290 0.1076 -0.1446 136 GLN D O 5515 C CB . GLN D 137 ? 0.3827 0.9495 0.7419 0.0420 0.1435 -0.1660 136 GLN D CB 5516 C CG . GLN D 137 ? 0.4139 1.0381 0.8346 0.0401 0.1543 -0.1643 136 GLN D CG 5517 C CD . GLN D 137 ? 0.4358 1.0563 0.8853 0.0195 0.1394 -0.1431 136 GLN D CD 5518 O OE1 . GLN D 137 ? 0.4310 1.0150 0.8785 0.0223 0.1107 -0.1428 136 GLN D OE1 5519 N NE2 . GLN D 137 ? 0.4397 1.1006 0.9192 -0.0001 0.1596 -0.1259 136 GLN D NE2 5520 N N . LYS D 138 ? 0.3665 0.8447 0.5954 0.0049 0.1357 -0.1255 137 LYS D N 5521 C CA . LYS D 138 ? 0.3586 0.7816 0.5499 0.0009 0.1180 -0.1194 137 LYS D CA 5522 C C . LYS D 138 ? 0.3449 0.7576 0.5241 -0.0212 0.1169 -0.0906 137 LYS D C 5523 O O . LYS D 138 ? 0.3484 0.7962 0.5433 -0.0334 0.1338 -0.0740 137 LYS D O 5524 C CB . LYS D 138 ? 0.3715 0.7840 0.5254 0.0103 0.1219 -0.1376 137 LYS D CB 5525 C CG . LYS D 138 ? 0.3979 0.8417 0.5686 0.0302 0.1329 -0.1701 137 LYS D CG 5526 C CD . LYS D 138 ? 0.4195 0.8235 0.5880 0.0445 0.1200 -0.1955 137 LYS D CD 5527 C CE . LYS D 138 ? 0.4529 0.8889 0.6254 0.0618 0.1317 -0.2351 137 LYS D CE 5528 N NZ . LYS D 138 ? 0.4722 0.9624 0.6772 0.0745 0.1486 -0.2499 137 LYS D NZ 5529 N N . ALA D 139 ? 0.3316 0.6966 0.4872 -0.0251 0.0988 -0.0839 138 ALA D N 5530 C CA . ALA D 139 ? 0.3186 0.6652 0.4666 -0.0431 0.0937 -0.0613 138 ALA D CA 5531 C C . ALA D 139 ? 0.3201 0.6318 0.4209 -0.0438 0.0886 -0.0574 138 ALA D C 5532 O O . ALA D 139 ? 0.3045 0.5835 0.3913 -0.0335 0.0753 -0.0681 138 ALA D O 5533 C CB . ALA D 139 ? 0.3060 0.6337 0.4785 -0.0439 0.0728 -0.0623 138 ALA D CB 5534 N N . THR D 140 ? 0.3241 0.6445 0.4051 -0.0552 0.0997 -0.0388 139 THR D N 5535 C CA . THR D 140 ? 0.3234 0.6157 0.3633 -0.0560 0.0935 -0.0344 139 THR D CA 5536 C C . THR D 140 ? 0.3225 0.5862 0.3626 -0.0695 0.0849 -0.0126 139 THR D C 5537 O O . THR D 140 ? 0.3275 0.6059 0.3821 -0.0815 0.0948 0.0097 139 THR D O 5538 C CB . THR D 140 ? 0.3316 0.6572 0.3398 -0.0532 0.1091 -0.0315 139 THR D CB 5539 O OG1 . THR D 140 ? 0.3594 0.7190 0.3710 -0.0393 0.1188 -0.0567 139 THR D OG1 5540 C CG2 . THR D 140 ? 0.3012 0.6011 0.2727 -0.0505 0.0980 -0.0361 139 THR D CG2 5541 N N . LEU D 141 ? 0.3216 0.5458 0.3479 -0.0664 0.0684 -0.0180 140 LEU D N 5542 C CA . LEU D 141 ? 0.3421 0.5385 0.3630 -0.0758 0.0600 -0.0023 140 LEU D CA 5543 C C . LEU D 141 ? 0.3517 0.5415 0.3377 -0.0763 0.0625 0.0068 140 LEU D C 5544 O O . LEU D 141 ? 0.3654 0.5531 0.3296 -0.0672 0.0605 -0.0080 140 LEU D O 5545 C CB . LEU D 141 ? 0.3293 0.4930 0.3505 -0.0690 0.0420 -0.0126 140 LEU D CB 5546 C CG . LEU D 141 ? 0.3576 0.5301 0.4091 -0.0645 0.0332 -0.0235 140 LEU D CG 5547 C CD1 . LEU D 141 ? 0.3772 0.5710 0.4381 -0.0528 0.0380 -0.0364 140 LEU D CD1 5548 C CD2 . LEU D 141 ? 0.3883 0.5362 0.4301 -0.0552 0.0162 -0.0292 140 LEU D CD2 5549 N N . VAL D 142 ? 0.3595 0.5449 0.3469 -0.0864 0.0648 0.0302 141 VAL D N 5550 C CA . VAL D 142 ? 0.3609 0.5404 0.3177 -0.0854 0.0636 0.0413 141 VAL D CA 5551 C C . VAL D 142 ? 0.3697 0.5111 0.3317 -0.0896 0.0511 0.0492 141 VAL D C 5552 O O . VAL D 142 ? 0.3669 0.4960 0.3597 -0.0979 0.0491 0.0585 141 VAL D O 5553 C CB . VAL D 142 ? 0.3897 0.6040 0.3401 -0.0891 0.0794 0.0689 141 VAL D CB 5554 C CG1 . VAL D 142 ? 0.3837 0.5956 0.3030 -0.0856 0.0748 0.0829 141 VAL D CG1 5555 C CG2 . VAL D 142 ? 0.3811 0.6421 0.3220 -0.0818 0.0943 0.0596 141 VAL D CG2 5556 N N . CYS D 143 ? 0.3722 0.4976 0.3099 -0.0836 0.0429 0.0425 142 CYS D N 5557 C CA . CYS D 143 ? 0.3837 0.4787 0.3226 -0.0849 0.0330 0.0492 142 CYS D CA 5558 C C . CYS D 143 ? 0.3921 0.4958 0.3140 -0.0850 0.0341 0.0678 142 CYS D C 5559 O O . CYS D 143 ? 0.3887 0.5137 0.2866 -0.0791 0.0347 0.0603 142 CYS D O 5560 C CB . CYS D 143 ? 0.3824 0.4574 0.3117 -0.0766 0.0246 0.0305 142 CYS D CB 5561 S SG . CYS D 143 ? 0.4410 0.4854 0.3713 -0.0749 0.0154 0.0357 142 CYS D SG 5562 N N . LEU D 144 ? 0.3884 0.4787 0.3262 -0.0902 0.0332 0.0901 143 LEU D N 5563 C CA . LEU D 144 ? 0.4078 0.5031 0.3321 -0.0872 0.0312 0.1108 143 LEU D CA 5564 C C . LEU D 144 ? 0.3957 0.4585 0.3284 -0.0849 0.0197 0.1074 143 LEU D C 5565 O O . LEU D 144 ? 0.4011 0.4387 0.3606 -0.0882 0.0167 0.1046 143 LEU D O 5566 C CB . LEU D 144 ? 0.4306 0.5386 0.3724 -0.0925 0.0417 0.1482 143 LEU D CB 5567 C CG . LEU D 144 ? 0.4750 0.6279 0.4025 -0.0914 0.0574 0.1678 143 LEU D CG 5568 C CD1 . LEU D 144 ? 0.4879 0.6462 0.4436 -0.0966 0.0696 0.2153 143 LEU D CD1 5569 C CD2 . LEU D 144 ? 0.5247 0.7118 0.4043 -0.0787 0.0537 0.1589 143 LEU D CD2 5570 N N . ALA D 145 ? 0.3926 0.4604 0.3054 -0.0781 0.0128 0.1044 144 ALA D N 5571 C CA . ALA D 145 ? 0.3839 0.4286 0.3065 -0.0744 0.0040 0.1061 144 ALA D CA 5572 C C . ALA D 145 ? 0.4044 0.4645 0.3228 -0.0707 0.0019 0.1342 144 ALA D C 5573 O O . ALA D 145 ? 0.4247 0.5188 0.3172 -0.0659 0.0013 0.1381 144 ALA D O 5574 C CB . ALA D 145 ? 0.3606 0.4020 0.2732 -0.0694 -0.0017 0.0825 144 ALA D CB 5575 N N . THR D 146 ? 0.4132 0.4520 0.3583 -0.0706 0.0001 0.1535 145 THR D N 5576 C CA . THR D 146 ? 0.4244 0.4774 0.3697 -0.0646 -0.0014 0.1874 145 THR D CA 5577 C C . THR D 146 ? 0.4147 0.4443 0.3835 -0.0581 -0.0108 0.1931 145 THR D C 5578 O O . THR D 146 ? 0.3887 0.3874 0.3809 -0.0592 -0.0131 0.1741 145 THR D O 5579 C CB . THR D 146 ? 0.4615 0.5189 0.4281 -0.0702 0.0111 0.2240 145 THR D CB 5580 O OG1 . THR D 146 ? 0.4800 0.4979 0.4962 -0.0778 0.0122 0.2222 145 THR D OG1 5581 C CG2 . THR D 146 ? 0.4611 0.5499 0.4074 -0.0753 0.0237 0.2230 145 THR D CG2 5582 N N . GLY D 147 ? 0.4314 0.4811 0.3932 -0.0486 -0.0161 0.2198 146 GLY D N 5583 C CA . GLY D 147 ? 0.4482 0.4812 0.4367 -0.0398 -0.0247 0.2326 146 GLY D CA 5584 C C . GLY D 147 ? 0.4268 0.4547 0.4142 -0.0347 -0.0348 0.2016 146 GLY D C 5585 O O . GLY D 147 ? 0.4490 0.4558 0.4661 -0.0286 -0.0390 0.2023 146 GLY D O 5586 N N . PHE D 148 ? 0.3912 0.4389 0.3513 -0.0367 -0.0373 0.1746 147 PHE D N 5587 C CA . PHE D 148 ? 0.3552 0.3983 0.3240 -0.0337 -0.0430 0.1494 147 PHE D CA 5588 C C . PHE D 148 ? 0.3652 0.4422 0.3287 -0.0251 -0.0567 0.1500 147 PHE D C 5589 O O . PHE D 148 ? 0.3688 0.4803 0.3087 -0.0208 -0.0632 0.1612 147 PHE D O 5590 C CB . PHE D 148 ? 0.3315 0.3673 0.2915 -0.0413 -0.0362 0.1196 147 PHE D CB 5591 C CG . PHE D 148 ? 0.3409 0.4032 0.2748 -0.0455 -0.0364 0.1084 147 PHE D CG 5592 C CD1 . PHE D 148 ? 0.3620 0.4276 0.2799 -0.0510 -0.0283 0.1139 147 PHE D CD1 5593 C CD2 . PHE D 148 ? 0.3239 0.4091 0.2561 -0.0438 -0.0446 0.0888 147 PHE D CD2 5594 C CE1 . PHE D 148 ? 0.3189 0.4115 0.2143 -0.0525 -0.0276 0.0988 147 PHE D CE1 5595 C CE2 . PHE D 148 ? 0.3356 0.4445 0.2496 -0.0463 -0.0458 0.0711 147 PHE D CE2 5596 C CZ . PHE D 148 ? 0.3018 0.4148 0.1947 -0.0495 -0.0369 0.0761 147 PHE D CZ 5597 N N . TYR D 149 ? 0.3471 0.4188 0.3345 -0.0210 -0.0612 0.1370 148 TYR D N 5598 C CA . TYR D 149 ? 0.3521 0.4568 0.3460 -0.0136 -0.0760 0.1324 148 TYR D CA 5599 C C . TYR D 149 ? 0.3370 0.4313 0.3610 -0.0152 -0.0726 0.1106 148 TYR D C 5600 O O . TYR D 149 ? 0.3398 0.4056 0.3811 -0.0135 -0.0626 0.1122 148 TYR D O 5601 C CB . TYR D 149 ? 0.3685 0.4846 0.3728 0.0002 -0.0868 0.1631 148 TYR D CB 5602 C CG . TYR D 149 ? 0.3522 0.5114 0.3625 0.0095 -0.1059 0.1555 148 TYR D CG 5603 C CD1 . TYR D 149 ? 0.3724 0.5782 0.3512 0.0148 -0.1193 0.1552 148 TYR D CD1 5604 C CD2 . TYR D 149 ? 0.3448 0.5041 0.3942 0.0140 -0.1110 0.1442 148 TYR D CD2 5605 C CE1 . TYR D 149 ? 0.3796 0.6319 0.3667 0.0248 -0.1413 0.1417 148 TYR D CE1 5606 C CE2 . TYR D 149 ? 0.3320 0.5352 0.3954 0.0220 -0.1309 0.1340 148 TYR D CE2 5607 C CZ . TYR D 149 ? 0.3546 0.6038 0.3868 0.0271 -0.1475 0.1310 148 TYR D CZ 5608 O OH . TYR D 149 ? 0.4022 0.6999 0.4494 0.0359 -0.1706 0.1153 148 TYR D OH 5609 N N . PRO D 150 ? 0.3425 0.4628 0.3772 -0.0177 -0.0803 0.0893 149 PRO D N 5610 C CA . PRO D 150 ? 0.3597 0.5179 0.3779 -0.0189 -0.0942 0.0745 149 PRO D CA 5611 C C . PRO D 150 ? 0.3597 0.5079 0.3569 -0.0295 -0.0838 0.0582 149 PRO D C 5612 O O . PRO D 150 ? 0.3510 0.4666 0.3399 -0.0344 -0.0681 0.0656 149 PRO D O 5613 C CB . PRO D 150 ? 0.3464 0.5264 0.4067 -0.0193 -0.1044 0.0519 149 PRO D CB 5614 C CG . PRO D 150 ? 0.3167 0.4616 0.4066 -0.0252 -0.0843 0.0507 149 PRO D CG 5615 C CD . PRO D 150 ? 0.3349 0.4517 0.4095 -0.0183 -0.0754 0.0758 149 PRO D CD 5616 N N . ASP D 151 ? 0.3851 0.5631 0.3776 -0.0314 -0.0938 0.0330 150 ASP D N 5617 C CA . ASP D 151 ? 0.4073 0.5786 0.3823 -0.0388 -0.0849 0.0167 150 ASP D CA 5618 C C . ASP D 151 ? 0.3947 0.5377 0.4021 -0.0490 -0.0723 -0.0016 150 ASP D C 5619 O O . ASP D 151 ? 0.4074 0.5531 0.4154 -0.0534 -0.0706 -0.0233 150 ASP D O 5620 C CB . ASP D 151 ? 0.4336 0.6520 0.3891 -0.0335 -0.1007 -0.0061 150 ASP D CB 5621 C CG . ASP D 151 ? 0.4585 0.7056 0.4527 -0.0328 -0.1198 -0.0391 150 ASP D CG 5622 O OD1 . ASP D 151 ? 0.4677 0.6981 0.5062 -0.0374 -0.1183 -0.0381 150 ASP D OD1 5623 O OD2 . ASP D 151 ? 0.5010 0.7916 0.4842 -0.0268 -0.1364 -0.0678 150 ASP D OD2 5624 N N . HIS D 152 ? 0.3847 0.5029 0.4198 -0.0506 -0.0623 0.0086 151 HIS D N 5625 C CA . HIS D 152 ? 0.3816 0.4779 0.4476 -0.0575 -0.0478 0.0000 151 HIS D CA 5626 C C . HIS D 152 ? 0.3755 0.4413 0.4176 -0.0574 -0.0305 0.0138 151 HIS D C 5627 O O . HIS D 152 ? 0.3837 0.4318 0.4281 -0.0535 -0.0192 0.0289 151 HIS D O 5628 C CB . HIS D 152 ? 0.3666 0.4639 0.4805 -0.0577 -0.0442 0.0022 151 HIS D CB 5629 C CG . HIS D 152 ? 0.3825 0.5095 0.5391 -0.0615 -0.0604 -0.0217 151 HIS D CG 5630 N ND1 . HIS D 152 ? 0.3929 0.5187 0.6114 -0.0689 -0.0534 -0.0310 151 HIS D ND1 5631 C CD2 . HIS D 152 ? 0.4140 0.5767 0.5636 -0.0583 -0.0840 -0.0399 151 HIS D CD2 5632 C CE1 . HIS D 152 ? 0.4139 0.5712 0.6684 -0.0719 -0.0740 -0.0587 151 HIS D CE1 5633 N NE2 . HIS D 152 ? 0.4168 0.5994 0.6258 -0.0642 -0.0940 -0.0663 151 HIS D NE2 5634 N N . VAL D 153 ? 0.3697 0.4346 0.3889 -0.0599 -0.0297 0.0061 152 VAL D N 5635 C CA . VAL D 153 ? 0.3474 0.3891 0.3473 -0.0595 -0.0165 0.0155 152 VAL D CA 5636 C C . VAL D 153 ? 0.3486 0.3850 0.3591 -0.0625 -0.0106 0.0015 152 VAL D C 5637 O O . VAL D 153 ? 0.3370 0.3889 0.3600 -0.0653 -0.0183 -0.0193 152 VAL D O 5638 C CB . VAL D 153 ? 0.3603 0.4036 0.3243 -0.0582 -0.0186 0.0268 152 VAL D CB 5639 C CG1 . VAL D 153 ? 0.3109 0.3515 0.2737 -0.0541 -0.0226 0.0442 152 VAL D CG1 5640 C CG2 . VAL D 153 ? 0.3521 0.4222 0.2979 -0.0595 -0.0263 0.0164 152 VAL D CG2 5641 N N . GLU D 154 ? 0.3473 0.3638 0.3541 -0.0596 0.0019 0.0116 153 GLU D N 5642 C CA . GLU D 154 ? 0.3612 0.3697 0.3794 -0.0596 0.0086 0.0043 153 GLU D CA 5643 C C . GLU D 154 ? 0.3483 0.3514 0.3346 -0.0560 0.0120 0.0110 153 GLU D C 5644 O O . GLU D 154 ? 0.3526 0.3468 0.3258 -0.0506 0.0168 0.0245 153 GLU D O 5645 C CB . GLU D 154 ? 0.3773 0.3715 0.4298 -0.0567 0.0217 0.0156 153 GLU D CB 5646 C CG . GLU D 154 ? 0.4589 0.4587 0.5620 -0.0627 0.0201 0.0079 153 GLU D CG 5647 C CD . GLU D 154 ? 0.5671 0.5552 0.7099 -0.0598 0.0385 0.0294 153 GLU D CD 5648 O OE1 . GLU D 154 ? 0.6130 0.5920 0.7357 -0.0500 0.0520 0.0511 153 GLU D OE1 5649 O OE2 . GLU D 154 ? 0.6104 0.6027 0.8070 -0.0663 0.0399 0.0256 153 GLU D OE2 5650 N N . LEU D 155 ? 0.3575 0.3708 0.3333 -0.0581 0.0084 -0.0014 154 LEU D N 5651 C CA . LEU D 155 ? 0.3591 0.3723 0.3129 -0.0562 0.0112 0.0027 154 LEU D CA 5652 C C . LEU D 155 ? 0.3533 0.3580 0.3216 -0.0511 0.0176 -0.0012 154 LEU D C 5653 O O . LEU D 155 ? 0.3644 0.3704 0.3561 -0.0516 0.0178 -0.0154 154 LEU D O 5654 C CB . LEU D 155 ? 0.3728 0.4084 0.3089 -0.0602 0.0067 -0.0047 154 LEU D CB 5655 C CG . LEU D 155 ? 0.3870 0.4264 0.3073 -0.0614 0.0100 0.0045 154 LEU D CG 5656 C CD1 . LEU D 155 ? 0.4129 0.4743 0.3171 -0.0655 0.0085 0.0130 154 LEU D CD1 5657 C CD2 . LEU D 155 ? 0.3940 0.4376 0.3206 -0.0583 0.0149 -0.0068 154 LEU D CD2 5658 N N . SER D 156 ? 0.3441 0.3419 0.3028 -0.0444 0.0216 0.0095 155 SER D N 5659 C CA . SER D 156 ? 0.3352 0.3284 0.3066 -0.0362 0.0267 0.0098 155 SER D CA 5660 C C . SER D 156 ? 0.3270 0.3282 0.2814 -0.0309 0.0246 0.0112 155 SER D C 5661 O O . SER D 156 ? 0.3213 0.3265 0.2587 -0.0328 0.0201 0.0138 155 SER D O 5662 C CB . SER D 156 ? 0.3397 0.3191 0.3313 -0.0279 0.0354 0.0262 155 SER D CB 5663 O OG . SER D 156 ? 0.3324 0.3126 0.3034 -0.0204 0.0375 0.0417 155 SER D OG 5664 N N . TRP D 157 ? 0.3181 0.3222 0.2844 -0.0241 0.0266 0.0074 156 TRP D N 5665 C CA . TRP D 157 ? 0.3103 0.3272 0.2677 -0.0187 0.0226 0.0060 156 TRP D CA 5666 C C . TRP D 157 ? 0.3175 0.3331 0.2768 -0.0011 0.0234 0.0192 156 TRP D C 5667 O O . TRP D 157 ? 0.3139 0.3189 0.2930 0.0071 0.0303 0.0290 156 TRP D O 5668 C CB . TRP D 157 ? 0.3087 0.3397 0.2778 -0.0218 0.0236 -0.0091 156 TRP D CB 5669 C CG . TRP D 157 ? 0.3042 0.3496 0.2641 -0.0350 0.0238 -0.0181 156 TRP D CG 5670 C CD1 . TRP D 157 ? 0.3090 0.3590 0.2686 -0.0406 0.0254 -0.0279 156 TRP D CD1 5671 C CD2 . TRP D 157 ? 0.2866 0.3482 0.2396 -0.0424 0.0227 -0.0161 156 TRP D CD2 5672 N NE1 . TRP D 157 ? 0.3268 0.3976 0.2711 -0.0489 0.0264 -0.0275 156 TRP D NE1 5673 C CE2 . TRP D 157 ? 0.2822 0.3581 0.2268 -0.0512 0.0265 -0.0182 156 TRP D CE2 5674 C CE3 . TRP D 157 ? 0.2651 0.3334 0.2233 -0.0419 0.0183 -0.0134 156 TRP D CE3 5675 C CZ2 . TRP D 157 ? 0.3074 0.4018 0.2502 -0.0598 0.0301 -0.0101 156 TRP D CZ2 5676 C CZ3 . TRP D 157 ? 0.2767 0.3595 0.2411 -0.0531 0.0198 -0.0108 156 TRP D CZ3 5677 C CH2 . TRP D 157 ? 0.3170 0.4117 0.2745 -0.0621 0.0276 -0.0054 156 TRP D CH2 5678 N N . TRP D 158 ? 0.3116 0.3406 0.2545 0.0056 0.0157 0.0192 157 TRP D N 5679 C CA . TRP D 158 ? 0.3241 0.3619 0.2595 0.0264 0.0138 0.0319 157 TRP D CA 5680 C C . TRP D 158 ? 0.3215 0.3826 0.2588 0.0329 0.0024 0.0200 157 TRP D C 5681 O O . TRP D 158 ? 0.3237 0.3952 0.2609 0.0225 -0.0058 0.0035 157 TRP D O 5682 C CB . TRP D 158 ? 0.3156 0.3551 0.2269 0.0349 0.0140 0.0415 157 TRP D CB 5683 C CG . TRP D 158 ? 0.3150 0.3358 0.2329 0.0297 0.0265 0.0554 157 TRP D CG 5684 C CD1 . TRP D 158 ? 0.2821 0.2896 0.2082 0.0110 0.0280 0.0467 157 TRP D CD1 5685 C CD2 . TRP D 158 ? 0.3118 0.3283 0.2350 0.0432 0.0399 0.0825 157 TRP D CD2 5686 N NE1 . TRP D 158 ? 0.3123 0.3085 0.2507 0.0115 0.0389 0.0617 157 TRP D NE1 5687 C CE2 . TRP D 158 ? 0.3022 0.3021 0.2427 0.0295 0.0482 0.0849 157 TRP D CE2 5688 C CE3 . TRP D 158 ? 0.3367 0.3653 0.2535 0.0666 0.0464 0.1080 157 TRP D CE3 5689 C CZ2 . TRP D 158 ? 0.3178 0.3113 0.2769 0.0356 0.0640 0.1105 157 TRP D CZ2 5690 C CZ3 . TRP D 158 ? 0.3588 0.3804 0.2906 0.0742 0.0646 0.1394 157 TRP D CZ3 5691 C CH2 . TRP D 158 ? 0.3682 0.3715 0.3245 0.0573 0.0739 0.1396 157 TRP D CH2 5692 N N . VAL D 159 ? 0.3249 0.3943 0.2718 0.0499 0.0023 0.0294 158 VAL D N 5693 C CA . VAL D 159 ? 0.3214 0.4182 0.2733 0.0595 -0.0103 0.0186 158 VAL D CA 5694 C C . VAL D 159 ? 0.3459 0.4599 0.2784 0.0874 -0.0158 0.0363 158 VAL D C 5695 O O . VAL D 159 ? 0.3728 0.4766 0.3092 0.1016 -0.0053 0.0630 158 VAL D O 5696 C CB . VAL D 159 ? 0.3150 0.4151 0.2986 0.0575 -0.0071 0.0117 158 VAL D CB 5697 C CG1 . VAL D 159 ? 0.3069 0.4395 0.3006 0.0690 -0.0209 0.0016 158 VAL D CG1 5698 C CG2 . VAL D 159 ? 0.2848 0.3775 0.2797 0.0336 0.0000 -0.0045 158 VAL D CG2 5699 N N . ASN D 160 ? 0.3537 0.4955 0.2675 0.0959 -0.0320 0.0218 159 ASN D N 5700 C CA . ASN D 160 ? 0.3899 0.5600 0.2753 0.1261 -0.0400 0.0342 159 ASN D CA 5701 C C . ASN D 160 ? 0.4065 0.5643 0.2683 0.1376 -0.0236 0.0653 159 ASN D C 5702 O O . ASN D 160 ? 0.4406 0.6127 0.2900 0.1638 -0.0186 0.0955 159 ASN D O 5703 C CB . ASN D 160 ? 0.4006 0.5941 0.2988 0.1472 -0.0477 0.0436 159 ASN D CB 5704 C CG . ASN D 160 ? 0.4249 0.6387 0.3508 0.1367 -0.0642 0.0113 159 ASN D CG 5705 O OD1 . ASN D 160 ? 0.4033 0.6288 0.3306 0.1239 -0.0768 -0.0181 159 ASN D OD1 5706 N ND2 . ASN D 160 ? 0.4478 0.6648 0.4045 0.1408 -0.0627 0.0163 159 ASN D ND2 5707 N N . GLY D 161 ? 0.3988 0.5318 0.2588 0.1182 -0.0139 0.0609 160 GLY D N 5708 C CA . GLY D 161 ? 0.4258 0.5504 0.2688 0.1261 0.0023 0.0866 160 GLY D CA 5709 C C . GLY D 161 ? 0.4364 0.5336 0.3080 0.1240 0.0227 0.1197 160 GLY D C 5710 O O . GLY D 161 ? 0.4474 0.5426 0.3138 0.1345 0.0388 0.1497 160 GLY D O 5711 N N . LYS D 162 ? 0.4242 0.5027 0.3310 0.1113 0.0227 0.1129 161 LYS D N 5712 C CA . LYS D 162 ? 0.4392 0.4877 0.3860 0.1057 0.0396 0.1336 161 LYS D CA 5713 C C . LYS D 162 ? 0.4062 0.4312 0.3798 0.0782 0.0394 0.1063 161 LYS D C 5714 O O . LYS D 162 ? 0.3812 0.4137 0.3559 0.0688 0.0288 0.0799 161 LYS D O 5715 C CB . LYS D 162 ? 0.4696 0.5209 0.4406 0.1263 0.0422 0.1569 161 LYS D CB 5716 C CG . LYS D 162 ? 0.5373 0.6112 0.4854 0.1571 0.0487 0.1979 161 LYS D CG 5717 C CD . LYS D 162 ? 0.5951 0.6842 0.5559 0.1820 0.0433 0.2167 161 LYS D CD 5718 C CE . LYS D 162 ? 0.6576 0.7723 0.5951 0.2160 0.0531 0.2669 161 LYS D CE 5719 N NZ . LYS D 162 ? 0.6988 0.8312 0.6491 0.2441 0.0466 0.2903 161 LYS D NZ 5720 N N . GLU D 163 ? 0.4079 0.4099 0.4039 0.0666 0.0516 0.1135 162 GLU D N 5721 C CA . GLU D 163 ? 0.3945 0.3804 0.4121 0.0435 0.0506 0.0876 162 GLU D CA 5722 C C . GLU D 163 ? 0.3991 0.3794 0.4504 0.0424 0.0488 0.0717 162 GLU D C 5723 O O . GLU D 163 ? 0.4133 0.3845 0.4966 0.0559 0.0551 0.0888 162 GLU D O 5724 C CB . GLU D 163 ? 0.3898 0.3572 0.4322 0.0345 0.0619 0.0977 162 GLU D CB 5725 C CG . GLU D 163 ? 0.4249 0.3831 0.4878 0.0138 0.0572 0.0670 162 GLU D CG 5726 C CD . GLU D 163 ? 0.4639 0.4120 0.5469 0.0023 0.0626 0.0688 162 GLU D CD 5727 O OE1 . GLU D 163 ? 0.4963 0.4368 0.6003 0.0085 0.0753 0.0966 162 GLU D OE1 5728 O OE2 . GLU D 163 ? 0.5058 0.4579 0.5846 -0.0121 0.0542 0.0434 162 GLU D OE2 5729 N N . VAL D 164 ? 0.3951 0.3842 0.4396 0.0287 0.0410 0.0410 163 VAL D N 5730 C CA . VAL D 164 ? 0.4135 0.4031 0.4889 0.0281 0.0407 0.0196 163 VAL D CA 5731 C C . VAL D 164 ? 0.4134 0.3964 0.5057 0.0120 0.0417 -0.0067 163 VAL D C 5732 O O . VAL D 164 ? 0.4081 0.3960 0.4761 -0.0008 0.0388 -0.0127 163 VAL D O 5733 C CB . VAL D 164 ? 0.4069 0.4225 0.4669 0.0304 0.0333 0.0051 163 VAL D CB 5734 C CG1 . VAL D 164 ? 0.4406 0.4679 0.4933 0.0498 0.0286 0.0252 163 VAL D CG1 5735 C CG2 . VAL D 164 ? 0.3869 0.4178 0.4146 0.0153 0.0283 -0.0060 163 VAL D CG2 5736 N N . HIS D 165 ? 0.4303 0.4041 0.5669 0.0150 0.0443 -0.0234 164 HIS D N 5737 C CA . HIS D 165 ? 0.4365 0.4122 0.5916 0.0037 0.0419 -0.0573 164 HIS D CA 5738 C C . HIS D 165 ? 0.4305 0.4287 0.5899 0.0070 0.0397 -0.0909 164 HIS D C 5739 O O . HIS D 165 ? 0.4341 0.4539 0.5787 -0.0006 0.0361 -0.1195 164 HIS D O 5740 C CB . HIS D 165 ? 0.4608 0.4078 0.6770 0.0043 0.0463 -0.0563 164 HIS D CB 5741 C CG . HIS D 165 ? 0.5131 0.4446 0.7281 0.0004 0.0518 -0.0233 164 HIS D CG 5742 N ND1 . HIS D 165 ? 0.5219 0.4616 0.7101 -0.0125 0.0477 -0.0272 164 HIS D ND1 5743 C CD2 . HIS D 165 ? 0.5526 0.4665 0.7864 0.0102 0.0625 0.0169 164 HIS D CD2 5744 C CE1 . HIS D 165 ? 0.5294 0.4563 0.7241 -0.0115 0.0560 0.0052 164 HIS D CE1 5745 N NE2 . HIS D 165 ? 0.5799 0.4926 0.7998 0.0024 0.0660 0.0336 164 HIS D NE2 5746 N N . SER D 166 ? 0.4107 0.4095 0.5884 0.0207 0.0424 -0.0863 165 SER D N 5747 C CA . SER D 166 ? 0.4141 0.4358 0.6035 0.0265 0.0427 -0.1182 165 SER D CA 5748 C C . SER D 166 ? 0.3889 0.4479 0.5285 0.0194 0.0424 -0.1225 165 SER D C 5749 O O . SER D 166 ? 0.3691 0.4319 0.4798 0.0165 0.0408 -0.0969 165 SER D O 5750 C CB . SER D 166 ? 0.4301 0.4434 0.6568 0.0448 0.0453 -0.1083 165 SER D CB 5751 O OG . SER D 166 ? 0.4585 0.4993 0.6960 0.0514 0.0468 -0.1401 165 SER D OG 5752 N N . GLY D 167 ? 0.3766 0.4656 0.5101 0.0176 0.0445 -0.1552 166 GLY D N 5753 C CA . GLY D 167 ? 0.3512 0.4787 0.4447 0.0111 0.0484 -0.1540 166 GLY D CA 5754 C C . GLY D 167 ? 0.3419 0.4723 0.3942 -0.0036 0.0457 -0.1384 166 GLY D C 5755 O O . GLY D 167 ? 0.3247 0.4813 0.3489 -0.0104 0.0500 -0.1272 166 GLY D O 5756 N N . VAL D 168 ? 0.3362 0.4409 0.3919 -0.0083 0.0395 -0.1366 167 VAL D N 5757 C CA . VAL D 168 ? 0.3352 0.4404 0.3576 -0.0201 0.0357 -0.1216 167 VAL D CA 5758 C C . VAL D 168 ? 0.3654 0.4931 0.3779 -0.0220 0.0315 -0.1476 167 VAL D C 5759 O O . VAL D 168 ? 0.3814 0.5049 0.4246 -0.0169 0.0271 -0.1775 167 VAL D O 5760 C CB . VAL D 168 ? 0.3337 0.4009 0.3651 -0.0233 0.0316 -0.0986 167 VAL D CB 5761 C CG1 . VAL D 168 ? 0.2878 0.3558 0.2964 -0.0334 0.0264 -0.0922 167 VAL D CG1 5762 C CG2 . VAL D 168 ? 0.3002 0.3555 0.3260 -0.0194 0.0332 -0.0709 167 VAL D CG2 5763 N N . CYS D 169 ? 0.3787 0.5314 0.3524 -0.0281 0.0315 -0.1367 168 CYS D N 5764 C CA . CYS D 169 ? 0.4305 0.6070 0.3898 -0.0276 0.0238 -0.1571 168 CYS D CA 5765 C C . CYS D 169 ? 0.4160 0.5956 0.3432 -0.0357 0.0202 -0.1285 168 CYS D C 5766 O O . CYS D 169 ? 0.4267 0.6197 0.3292 -0.0392 0.0277 -0.1021 168 CYS D O 5767 C CB . CYS D 169 ? 0.4753 0.7021 0.4206 -0.0171 0.0280 -0.1876 168 CYS D CB 5768 S SG . CYS D 169 ? 0.6056 0.8903 0.4929 -0.0153 0.0327 -0.1723 168 CYS D SG 5769 N N . THR D 170 ? 0.4127 0.5778 0.3493 -0.0390 0.0092 -0.1327 169 THR D N 5770 C CA . THR D 170 ? 0.3961 0.5602 0.3103 -0.0448 0.0042 -0.1068 169 THR D CA 5771 C C . THR D 170 ? 0.4255 0.6312 0.3206 -0.0393 -0.0068 -0.1268 169 THR D C 5772 O O . THR D 170 ? 0.4324 0.6479 0.3499 -0.0347 -0.0159 -0.1651 169 THR D O 5773 C CB . THR D 170 ? 0.3725 0.4930 0.3147 -0.0506 0.0011 -0.0945 169 THR D CB 5774 O OG1 . THR D 170 ? 0.3757 0.4704 0.3202 -0.0521 0.0102 -0.0719 169 THR D OG1 5775 C CG2 . THR D 170 ? 0.3498 0.4701 0.2795 -0.0547 -0.0062 -0.0766 169 THR D CG2 5776 N N . ASP D 171 ? 0.4468 0.6798 0.3045 -0.0380 -0.0067 -0.1023 170 ASP D N 5777 C CA . ASP D 171 ? 0.4918 0.7712 0.3257 -0.0289 -0.0197 -0.1172 170 ASP D CA 5778 C C . ASP D 171 ? 0.5017 0.7658 0.3701 -0.0313 -0.0372 -0.1434 170 ASP D C 5779 O O . ASP D 171 ? 0.4729 0.6948 0.3670 -0.0405 -0.0371 -0.1259 170 ASP D O 5780 C CB . ASP D 171 ? 0.5047 0.8039 0.3030 -0.0273 -0.0184 -0.0749 170 ASP D CB 5781 C CG . ASP D 171 ? 0.5247 0.8335 0.3031 -0.0285 0.0012 -0.0402 170 ASP D CG 5782 O OD1 . ASP D 171 ? 0.5522 0.8822 0.3263 -0.0244 0.0121 -0.0556 170 ASP D OD1 5783 O OD2 . ASP D 171 ? 0.5245 0.8199 0.2989 -0.0338 0.0064 0.0020 170 ASP D OD2 5784 N N . PRO D 172 ? 0.5432 0.8447 0.4171 -0.0224 -0.0518 -0.1884 171 PRO D N 5785 C CA . PRO D 172 ? 0.5589 0.8516 0.4767 -0.0258 -0.0699 -0.2170 171 PRO D CA 5786 C C . PRO D 172 ? 0.5750 0.8777 0.4780 -0.0262 -0.0809 -0.1914 171 PRO D C 5787 O O . PRO D 172 ? 0.5679 0.8420 0.5113 -0.0348 -0.0867 -0.1889 171 PRO D O 5788 C CB . PRO D 172 ? 0.5943 0.9371 0.5158 -0.0132 -0.0849 -0.2759 171 PRO D CB 5789 C CG . PRO D 172 ? 0.6082 1.0025 0.4645 0.0007 -0.0763 -0.2664 171 PRO D CG 5790 C CD . PRO D 172 ? 0.5804 0.9372 0.4253 -0.0078 -0.0518 -0.2189 171 PRO D CD 5791 N N . GLN D 173 ? 0.6138 0.9585 0.4624 -0.0159 -0.0819 -0.1688 172 GLN D N 5792 C CA . GLN D 173 ? 0.6401 0.9967 0.4739 -0.0131 -0.0924 -0.1394 172 GLN D CA 5793 C C . GLN D 173 ? 0.6264 0.9610 0.4333 -0.0165 -0.0747 -0.0807 172 GLN D C 5794 O O . GLN D 173 ? 0.6337 0.9819 0.4105 -0.0134 -0.0595 -0.0634 172 GLN D O 5795 C CB . GLN D 173 ? 0.6870 1.1181 0.4830 0.0057 -0.1116 -0.1577 172 GLN D CB 5796 C CG . GLN D 173 ? 0.7519 1.2272 0.5525 0.0159 -0.1248 -0.2225 172 GLN D CG 5797 C CD . GLN D 173 ? 0.7933 1.2793 0.6451 0.0149 -0.1526 -0.2728 172 GLN D CD 5798 O OE1 . GLN D 173 ? 0.7560 1.1928 0.6643 -0.0007 -0.1535 -0.2692 172 GLN D OE1 5799 N NE2 . GLN D 173 ? 0.8438 1.3995 0.6785 0.0328 -0.1751 -0.3216 172 GLN D NE2 5800 N N . PRO D 174 ? 0.6170 0.9207 0.4403 -0.0223 -0.0765 -0.0516 173 PRO D N 5801 C CA . PRO D 174 ? 0.6169 0.9036 0.4225 -0.0238 -0.0631 -0.0006 173 PRO D CA 5802 C C . PRO D 174 ? 0.6544 0.9940 0.4202 -0.0085 -0.0694 0.0237 173 PRO D C 5803 O O . PRO D 174 ? 0.6811 1.0633 0.4378 0.0028 -0.0889 0.0027 173 PRO D O 5804 C CB . PRO D 174 ? 0.5981 0.8417 0.4380 -0.0310 -0.0662 0.0126 173 PRO D CB 5805 C CG . PRO D 174 ? 0.5792 0.8101 0.4587 -0.0368 -0.0742 -0.0285 173 PRO D CG 5806 C CD . PRO D 174 ? 0.6077 0.8918 0.4729 -0.0273 -0.0892 -0.0637 173 PRO D CD 5807 N N . LEU D 175 ? 0.6607 1.0033 0.4059 -0.0070 -0.0536 0.0677 174 LEU D N 5808 C CA . LEU D 175 ? 0.7056 1.1040 0.4124 0.0104 -0.0574 0.0977 174 LEU D CA 5809 C C . LEU D 175 ? 0.7042 1.0847 0.4241 0.0132 -0.0611 0.1444 174 LEU D C 5810 O O . LEU D 175 ? 0.6708 0.9937 0.4275 0.0002 -0.0549 0.1575 174 LEU D O 5811 C CB . LEU D 175 ? 0.7349 1.1670 0.4094 0.0153 -0.0368 0.1180 174 LEU D CB 5812 C CG . LEU D 175 ? 0.7527 1.1501 0.4451 0.0037 -0.0125 0.1657 174 LEU D CG 5813 C CD1 . LEU D 175 ? 0.8016 1.2191 0.4839 0.0146 -0.0095 0.2260 174 LEU D CD1 5814 C CD2 . LEU D 175 ? 0.7783 1.2006 0.4556 0.0025 0.0081 0.1612 174 LEU D CD2 5815 N N . LYS D 176 ? 0.7317 1.1645 0.4224 0.0325 -0.0725 0.1673 175 LYS D N 5816 C CA . LYS D 176 ? 0.7345 1.1535 0.4414 0.0387 -0.0771 0.2140 175 LYS D CA 5817 C C . LYS D 176 ? 0.7531 1.1649 0.4588 0.0395 -0.0543 0.2775 175 LYS D C 5818 O O . LYS D 176 ? 0.7871 1.2482 0.4553 0.0502 -0.0427 0.3005 175 LYS D O 5819 C CB . LYS D 176 ? 0.7599 1.2386 0.4432 0.0612 -0.1028 0.2119 175 LYS D CB 5820 C CG . LYS D 176 ? 0.7384 1.2130 0.4485 0.0576 -0.1270 0.1574 175 LYS D CG 5821 C CD . LYS D 176 ? 0.8043 1.3448 0.4952 0.0813 -0.1555 0.1554 175 LYS D CD 5822 C CE . LYS D 176 ? 0.7869 1.3119 0.5260 0.0757 -0.1774 0.1179 175 LYS D CE 5823 N NZ . LYS D 176 ? 0.8307 1.4209 0.5574 0.0995 -0.2070 0.1194 175 LYS D NZ 5824 N N . GLU D 177 ? 0.7338 1.0862 0.4858 0.0287 -0.0472 0.3047 176 GLU D N 5825 C CA . GLU D 177 ? 0.7626 1.0969 0.5347 0.0255 -0.0255 0.3626 176 GLU D CA 5826 C C . GLU D 177 ? 0.8183 1.1960 0.5735 0.0477 -0.0270 0.4224 176 GLU D C 5827 O O . GLU D 177 ? 0.8512 1.2449 0.6051 0.0511 -0.0062 0.4752 176 GLU D O 5828 C CB . GLU D 177 ? 0.7299 0.9883 0.5639 0.0089 -0.0210 0.3649 176 GLU D CB 5829 C CG . GLU D 177 ? 0.6951 0.9147 0.5431 -0.0092 -0.0198 0.3115 176 GLU D CG 5830 C CD . GLU D 177 ? 0.7021 0.8591 0.6037 -0.0242 -0.0107 0.3148 176 GLU D CD 5831 O OE1 . GLU D 177 ? 0.7372 0.8699 0.6767 -0.0215 -0.0094 0.3496 176 GLU D OE1 5832 O OE2 . GLU D 177 ? 0.6709 0.8047 0.5792 -0.0371 -0.0062 0.2799 176 GLU D OE2 5833 N N . GLN D 178 ? 0.8331 1.2313 0.5802 0.0635 -0.0513 0.4161 177 GLN D N 5834 C CA . GLN D 178 ? 0.8947 1.3371 0.6254 0.0888 -0.0582 0.4711 177 GLN D CA 5835 C C . GLN D 178 ? 0.9069 1.4127 0.5957 0.1090 -0.0887 0.4353 177 GLN D C 5836 O O . GLN D 178 ? 0.8949 1.3924 0.6075 0.1161 -0.1102 0.4283 177 GLN D O 5837 C CB . GLN D 178 ? 0.8989 1.2846 0.6923 0.0875 -0.0570 0.5130 177 GLN D CB 5838 C CG . GLN D 178 ? 0.9169 1.2475 0.7599 0.0693 -0.0282 0.5502 177 GLN D CG 5839 C CD . GLN D 178 ? 0.9559 1.2301 0.8692 0.0695 -0.0278 0.5872 177 GLN D CD 5840 O OE1 . GLN D 178 ? 0.9142 1.1434 0.8632 0.0631 -0.0408 0.5512 177 GLN D OE1 5841 N NE2 . GLN D 178 ? 1.0078 1.2854 0.9459 0.0778 -0.0109 0.6610 177 GLN D NE2 5842 N N . PRO D 179 ? 0.9315 1.5038 0.5623 0.1190 -0.0914 0.4086 178 PRO D N 5843 C CA . PRO D 179 ? 0.9523 1.5923 0.5443 0.1373 -0.1217 0.3604 178 PRO D CA 5844 C C . PRO D 179 ? 0.9964 1.6820 0.5793 0.1649 -0.1466 0.3909 178 PRO D C 5845 O O . PRO D 179 ? 0.9860 1.6964 0.5738 0.1716 -0.1771 0.3440 178 PRO D O 5846 C CB . PRO D 179 ? 0.9893 1.7001 0.5176 0.1502 -0.1112 0.3540 178 PRO D CB 5847 C CG . PRO D 179 ? 0.9632 1.6236 0.5109 0.1269 -0.0780 0.3658 178 PRO D CG 5848 C CD . PRO D 179 ? 0.9501 1.5422 0.5521 0.1152 -0.0636 0.4244 178 PRO D CD 5849 N N . ALA D 180 ? 1.0467 1.7432 0.6241 0.1808 -0.1335 0.4701 179 ALA D N 5850 C CA . ALA D 180 ? 1.1028 1.8436 0.6728 0.2106 -0.1559 0.5094 179 ALA D CA 5851 C C . ALA D 180 ? 1.0696 1.7576 0.7033 0.2027 -0.1763 0.4901 179 ALA D C 5852 O O . ALA D 180 ? 1.1033 1.8282 0.7388 0.2269 -0.2005 0.5098 179 ALA D O 5853 C CB . ALA D 180 ? 1.1535 1.9051 0.7177 0.2275 -0.1323 0.6081 179 ALA D CB 5854 N N . LEU D 181 ? 1.0105 1.6189 0.6947 0.1713 -0.1665 0.4516 180 LEU D N 5855 C CA . LEU D 181 ? 0.9832 1.5370 0.7313 0.1633 -0.1776 0.4403 180 LEU D CA 5856 C C . LEU D 181 ? 0.9350 1.4777 0.7046 0.1474 -0.1946 0.3614 180 LEU D C 5857 O O . LEU D 181 ? 0.9045 1.4334 0.6648 0.1281 -0.1855 0.3160 180 LEU D O 5858 C CB . LEU D 181 ? 0.9663 1.4342 0.7684 0.1454 -0.1506 0.4766 180 LEU D CB 5859 C CG . LEU D 181 ? 1.0196 1.4868 0.8326 0.1621 -0.1372 0.5618 180 LEU D CG 5860 C CD1 . LEU D 181 ? 1.0097 1.4038 0.8673 0.1399 -0.1055 0.5893 180 LEU D CD1 5861 C CD2 . LEU D 181 ? 1.0519 1.5202 0.9021 0.1833 -0.1574 0.5897 180 LEU D CD2 5862 N N . ASN D 182 ? 0.9338 1.4853 0.7378 0.1568 -0.2185 0.3489 181 ASN D N 5863 C CA . ASN D 182 ? 0.8844 1.4252 0.7254 0.1422 -0.2329 0.2831 181 ASN D CA 5864 C C . ASN D 182 ? 0.8213 1.2770 0.7074 0.1144 -0.2087 0.2687 181 ASN D C 5865 O O . ASN D 182 ? 0.7802 1.2195 0.6812 0.0957 -0.2067 0.2174 181 ASN D O 5866 C CB . ASN D 182 ? 0.8981 1.4715 0.7731 0.1603 -0.2620 0.2810 181 ASN D CB 5867 C CG . ASN D 182 ? 0.9803 1.6478 0.8091 0.1927 -0.2910 0.2944 181 ASN D CG 5868 O OD1 . ASN D 182 ? 1.0223 1.7469 0.8046 0.1978 -0.3024 0.2609 181 ASN D OD1 5869 N ND2 . ASN D 182 ? 1.0169 1.7036 0.8596 0.2172 -0.3042 0.3415 181 ASN D ND2 5870 N N . ASP D 183 ? 0.8107 1.2153 0.7205 0.1136 -0.1909 0.3145 182 ASP D N 5871 C CA . ASP D 183 ? 0.7578 1.0872 0.7102 0.0926 -0.1703 0.3026 182 ASP D CA 5872 C C . ASP D 183 ? 0.7247 1.0206 0.6562 0.0722 -0.1461 0.2941 182 ASP D C 5873 O O . ASP D 183 ? 0.6904 0.9302 0.6504 0.0561 -0.1301 0.2814 182 ASP D O 5874 C CB . ASP D 183 ? 0.7794 1.0710 0.7738 0.1024 -0.1645 0.3484 182 ASP D CB 5875 N N . SER D 184 ? 0.7259 1.0630 0.6073 0.0753 -0.1447 0.2989 183 SER D N 5876 C CA . SER D 184 ? 0.6964 1.0123 0.5583 0.0618 -0.1213 0.3077 183 SER D CA 5877 C C . SER D 184 ? 0.6368 0.9039 0.5170 0.0386 -0.1083 0.2666 183 SER D C 5878 O O . SER D 184 ? 0.6126 0.8835 0.4977 0.0319 -0.1167 0.2204 183 SER D O 5879 C CB . SER D 184 ? 0.7283 1.1078 0.5315 0.0711 -0.1231 0.3072 183 SER D CB 5880 O OG . SER D 184 ? 0.7056 1.0661 0.4959 0.0572 -0.0990 0.3126 183 SER D OG 5881 N N . ARG D 185 ? 0.6120 0.8357 0.5065 0.0272 -0.0879 0.2860 184 ARG D N 5882 C CA . ARG D 185 ? 0.5642 0.7482 0.4691 0.0082 -0.0749 0.2535 184 ARG D CA 5883 C C . ARG D 185 ? 0.5468 0.7601 0.4122 0.0026 -0.0692 0.2329 184 ARG D C 5884 O O . ARG D 185 ? 0.5704 0.8340 0.3993 0.0137 -0.0720 0.2479 184 ARG D O 5885 C CB . ARG D 185 ? 0.5701 0.7033 0.5103 0.0000 -0.0592 0.2775 184 ARG D CB 5886 C CG . ARG D 185 ? 0.6083 0.7038 0.5931 0.0025 -0.0643 0.2713 184 ARG D CG 5887 C CD . ARG D 185 ? 0.7096 0.7681 0.7389 0.0043 -0.0571 0.3056 184 ARG D CD 5888 N NE . ARG D 185 ? 0.7993 0.8439 0.8637 0.0162 -0.0677 0.3047 184 ARG D NE 5889 C CZ . ARG D 185 ? 0.8407 0.8415 0.9556 0.0171 -0.0643 0.3035 184 ARG D CZ 5890 N NH1 . ARG D 185 ? 0.8320 0.7966 0.9721 0.0056 -0.0524 0.3006 184 ARG D NH1 5891 N NH2 . ARG D 185 ? 0.8450 0.8410 0.9894 0.0306 -0.0738 0.3009 184 ARG D NH2 5892 N N . TYR D 186 ? 0.4982 0.6843 0.3706 -0.0117 -0.0616 0.1980 185 TYR D N 5893 C CA . TYR D 186 ? 0.4824 0.6903 0.3270 -0.0168 -0.0567 0.1714 185 TYR D CA 5894 C C . TYR D 186 ? 0.4637 0.6431 0.3138 -0.0293 -0.0378 0.1744 185 TYR D C 5895 O O . TYR D 186 ? 0.4457 0.5816 0.3256 -0.0371 -0.0315 0.1796 185 TYR D O 5896 C CB . TYR D 186 ? 0.4472 0.6524 0.3021 -0.0213 -0.0659 0.1245 185 TYR D CB 5897 C CG . TYR D 186 ? 0.4640 0.7062 0.3193 -0.0106 -0.0869 0.1102 185 TYR D CG 5898 C CD1 . TYR D 186 ? 0.4539 0.7520 0.2789 -0.0008 -0.0989 0.0919 185 TYR D CD1 5899 C CD2 . TYR D 186 ? 0.4515 0.6777 0.3404 -0.0090 -0.0957 0.1104 185 TYR D CD2 5900 C CE1 . TYR D 186 ? 0.4917 0.8286 0.3216 0.0094 -0.1217 0.0726 185 TYR D CE1 5901 C CE2 . TYR D 186 ? 0.4903 0.7549 0.3870 0.0004 -0.1168 0.0951 185 TYR D CE2 5902 C CZ . TYR D 186 ? 0.4981 0.8182 0.3660 0.0093 -0.1312 0.0753 185 TYR D CZ 5903 O OH . TYR D 186 ? 0.5334 0.8976 0.4124 0.0198 -0.1561 0.0547 185 TYR D OH 5904 N N . SER D 187 ? 0.4707 0.6790 0.2940 -0.0299 -0.0302 0.1661 186 SER D N 5905 C CA . SER D 187 ? 0.4595 0.6470 0.2907 -0.0417 -0.0145 0.1585 186 SER D CA 5906 C C . SER D 187 ? 0.4461 0.6465 0.2645 -0.0431 -0.0160 0.1160 186 SER D C 5907 O O . SER D 187 ? 0.4577 0.6916 0.2583 -0.0349 -0.0272 0.0940 186 SER D O 5908 C CB . SER D 187 ? 0.4816 0.6894 0.3050 -0.0417 0.0016 0.1951 186 SER D CB 5909 O OG . SER D 187 ? 0.4943 0.6787 0.3459 -0.0430 0.0051 0.2354 186 SER D OG 5910 N N . LEU D 188 ? 0.4286 0.6032 0.2612 -0.0525 -0.0061 0.1029 187 LEU D N 5911 C CA . LEU D 188 ? 0.4222 0.6012 0.2527 -0.0532 -0.0067 0.0654 187 LEU D CA 5912 C C . LEU D 188 ? 0.4201 0.5874 0.2590 -0.0599 0.0073 0.0657 187 LEU D C 5913 O O . LEU D 188 ? 0.4060 0.5396 0.2664 -0.0670 0.0113 0.0768 187 LEU D O 5914 C CB . LEU D 188 ? 0.3926 0.5394 0.2471 -0.0560 -0.0151 0.0441 187 LEU D CB 5915 C CG . LEU D 188 ? 0.3991 0.5488 0.2619 -0.0558 -0.0163 0.0078 187 LEU D CG 5916 C CD1 . LEU D 188 ? 0.4172 0.6086 0.2695 -0.0480 -0.0290 -0.0169 187 LEU D CD1 5917 C CD2 . LEU D 188 ? 0.3649 0.4776 0.2578 -0.0598 -0.0167 -0.0015 187 LEU D CD2 5918 N N . SER D 189 ? 0.4297 0.6275 0.2547 -0.0563 0.0134 0.0489 188 SER D N 5919 C CA . SER D 189 ? 0.4121 0.6033 0.2498 -0.0614 0.0259 0.0454 188 SER D CA 5920 C C . SER D 189 ? 0.3889 0.5720 0.2369 -0.0588 0.0231 0.0082 188 SER D C 5921 O O . SER D 189 ? 0.3990 0.5920 0.2437 -0.0532 0.0140 -0.0169 188 SER D O 5922 C CB . SER D 189 ? 0.4272 0.6625 0.2485 -0.0584 0.0403 0.0621 188 SER D CB 5923 O OG . SER D 189 ? 0.4629 0.7407 0.2588 -0.0469 0.0388 0.0356 188 SER D OG 5924 N N . SER D 190 ? 0.3750 0.5425 0.2409 -0.0623 0.0302 0.0050 189 SER D N 5925 C CA . SER D 190 ? 0.3562 0.5134 0.2379 -0.0583 0.0294 -0.0227 189 SER D CA 5926 C C . SER D 190 ? 0.3641 0.5323 0.2559 -0.0587 0.0402 -0.0214 189 SER D C 5927 O O . SER D 190 ? 0.3634 0.5322 0.2604 -0.0654 0.0459 0.0010 189 SER D O 5928 C CB . SER D 190 ? 0.3427 0.4578 0.2430 -0.0602 0.0231 -0.0211 189 SER D CB 5929 O OG . SER D 190 ? 0.3131 0.4160 0.2331 -0.0547 0.0225 -0.0419 189 SER D OG 5930 N N . ARG D 191 ? 0.3719 0.5490 0.2747 -0.0515 0.0427 -0.0467 190 ARG D N 5931 C CA . ARG D 191 ? 0.3785 0.5681 0.2963 -0.0505 0.0521 -0.0470 190 ARG D CA 5932 C C . ARG D 191 ? 0.3739 0.5382 0.3180 -0.0440 0.0478 -0.0619 190 ARG D C 5933 O O . ARG D 191 ? 0.3747 0.5241 0.3286 -0.0379 0.0425 -0.0801 190 ARG D O 5934 C CB . ARG D 191 ? 0.3977 0.6369 0.3033 -0.0446 0.0639 -0.0573 190 ARG D CB 5935 C CG . ARG D 191 ? 0.4563 0.7235 0.3347 -0.0489 0.0703 -0.0302 190 ARG D CG 5936 C CD . ARG D 191 ? 0.5694 0.8882 0.4168 -0.0377 0.0757 -0.0429 190 ARG D CD 5937 N NE . ARG D 191 ? 0.6371 0.9545 0.4712 -0.0301 0.0602 -0.0724 190 ARG D NE 5938 C CZ . ARG D 191 ? 0.6949 1.0056 0.5125 -0.0317 0.0484 -0.0624 190 ARG D CZ 5939 N NH1 . ARG D 191 ? 0.7435 1.0577 0.5595 -0.0251 0.0334 -0.0954 190 ARG D NH1 5940 N NH2 . ARG D 191 ? 0.6919 0.9912 0.5028 -0.0399 0.0503 -0.0219 190 ARG D NH2 5941 N N . LEU D 192 ? 0.3544 0.5151 0.3145 -0.0452 0.0493 -0.0521 191 LEU D N 5942 C CA . LEU D 192 ? 0.3497 0.4976 0.3332 -0.0356 0.0461 -0.0612 191 LEU D CA 5943 C C . LEU D 192 ? 0.3497 0.5295 0.3512 -0.0327 0.0541 -0.0670 191 LEU D C 5944 O O . LEU D 192 ? 0.3508 0.5452 0.3590 -0.0410 0.0569 -0.0535 191 LEU D O 5945 C CB . LEU D 192 ? 0.3299 0.4493 0.3157 -0.0353 0.0366 -0.0458 191 LEU D CB 5946 C CG . LEU D 192 ? 0.3467 0.4619 0.3534 -0.0219 0.0326 -0.0486 191 LEU D CG 5947 C CD1 . LEU D 192 ? 0.3035 0.4052 0.3269 -0.0100 0.0346 -0.0593 191 LEU D CD1 5948 C CD2 . LEU D 192 ? 0.3020 0.4022 0.3031 -0.0178 0.0225 -0.0347 191 LEU D CD2 5949 N N . ARG D 193 ? 0.3448 0.5354 0.3621 -0.0211 0.0579 -0.0884 192 ARG D N 5950 C CA . ARG D 193 ? 0.3502 0.5750 0.3885 -0.0156 0.0669 -0.0973 192 ARG D CA 5951 C C . ARG D 193 ? 0.3496 0.5607 0.4191 -0.0017 0.0602 -0.1039 192 ARG D C 5952 O O . ARG D 193 ? 0.3449 0.5333 0.4261 0.0090 0.0565 -0.1154 192 ARG D O 5953 C CB . ARG D 193 ? 0.3698 0.6298 0.4011 -0.0096 0.0789 -0.1204 192 ARG D CB 5954 C CG . ARG D 193 ? 0.3589 0.6649 0.4088 -0.0048 0.0932 -0.1271 192 ARG D CG 5955 C CD . ARG D 193 ? 0.3613 0.7121 0.3906 0.0012 0.1072 -0.1455 192 ARG D CD 5956 N NE . ARG D 193 ? 0.3568 0.7590 0.3940 0.0000 0.1264 -0.1354 192 ARG D NE 5957 C CZ . ARG D 193 ? 0.3884 0.8454 0.4121 0.0095 0.1440 -0.1497 192 ARG D CZ 5958 N NH1 . ARG D 193 ? 0.3844 0.8893 0.4216 0.0070 0.1647 -0.1330 192 ARG D NH1 5959 N NH2 . ARG D 193 ? 0.3840 0.8526 0.3839 0.0225 0.1414 -0.1822 192 ARG D NH2 5960 N N . VAL D 194 ? 0.3407 0.5680 0.4291 -0.0014 0.0584 -0.0958 193 VAL D N 5961 C CA . VAL D 194 ? 0.3425 0.5659 0.4596 0.0141 0.0499 -0.0977 193 VAL D CA 5962 C C . VAL D 194 ? 0.3550 0.6217 0.5043 0.0187 0.0577 -0.1089 193 VAL D C 5963 O O . VAL D 194 ? 0.3469 0.6458 0.4952 0.0078 0.0710 -0.1102 193 VAL D O 5964 C CB . VAL D 194 ? 0.3362 0.5446 0.4469 0.0129 0.0350 -0.0798 193 VAL D CB 5965 C CG1 . VAL D 194 ? 0.3220 0.4919 0.4029 0.0101 0.0298 -0.0676 193 VAL D CG1 5966 C CG2 . VAL D 194 ? 0.3253 0.5575 0.4408 -0.0032 0.0349 -0.0748 193 VAL D CG2 5967 N N . SER D 195 ? 0.3602 0.6310 0.5406 0.0363 0.0511 -0.1140 194 SER D N 5968 C CA . SER D 195 ? 0.3651 0.6796 0.5825 0.0413 0.0559 -0.1230 194 SER D CA 5969 C C . SER D 195 ? 0.3518 0.6873 0.5777 0.0262 0.0501 -0.1112 194 SER D C 5970 O O . SER D 195 ? 0.3509 0.6646 0.5609 0.0216 0.0350 -0.0994 194 SER D O 5971 C CB . SER D 195 ? 0.3824 0.6948 0.6333 0.0658 0.0458 -0.1273 194 SER D CB 5972 O OG . SER D 195 ? 0.3792 0.6783 0.6254 0.0719 0.0260 -0.1096 194 SER D OG 5973 N N . ALA D 196 ? 0.3565 0.7366 0.6132 0.0191 0.0625 -0.1160 195 ALA D N 5974 C CA . ALA D 196 ? 0.3455 0.7464 0.6267 0.0023 0.0581 -0.1069 195 ALA D CA 5975 C C . ALA D 196 ? 0.3439 0.7377 0.6400 0.0117 0.0308 -0.1087 195 ALA D C 5976 O O . ALA D 196 ? 0.3500 0.7318 0.6407 0.0005 0.0172 -0.1032 195 ALA D O 5977 C CB . ALA D 196 ? 0.3497 0.8053 0.6772 -0.0028 0.0770 -0.1112 195 ALA D CB 5978 N N . THR D 197 ? 0.3483 0.7522 0.6633 0.0348 0.0217 -0.1173 196 THR D N 5979 C CA . THR D 197 ? 0.3534 0.7623 0.6800 0.0494 -0.0052 -0.1180 196 THR D CA 5980 C C . THR D 197 ? 0.3533 0.7209 0.6313 0.0546 -0.0196 -0.1060 196 THR D C 5981 O O . THR D 197 ? 0.3593 0.7342 0.6348 0.0607 -0.0417 -0.1071 196 THR D O 5982 C CB . THR D 197 ? 0.3661 0.7953 0.7230 0.0772 -0.0113 -0.1242 196 THR D CB 5983 O OG1 . THR D 197 ? 0.3958 0.7933 0.7335 0.0904 0.0004 -0.1206 196 THR D OG1 5984 C CG2 . THR D 197 ? 0.3658 0.8477 0.7809 0.0734 0.0000 -0.1386 196 THR D CG2 5985 N N . PHE D 198 ? 0.3547 0.6835 0.5958 0.0536 -0.0076 -0.0968 197 PHE D N 5986 C CA . PHE D 198 ? 0.3627 0.6560 0.5618 0.0561 -0.0171 -0.0835 197 PHE D CA 5987 C C . PHE D 198 ? 0.3536 0.6459 0.5414 0.0345 -0.0223 -0.0850 197 PHE D C 5988 O O . PHE D 198 ? 0.3466 0.6373 0.5205 0.0407 -0.0408 -0.0847 197 PHE D O 5989 C CB . PHE D 198 ? 0.3724 0.6264 0.5452 0.0571 -0.0033 -0.0752 197 PHE D CB 5990 C CG . PHE D 198 ? 0.3980 0.6198 0.5380 0.0670 -0.0117 -0.0570 197 PHE D CG 5991 C CD1 . PHE D 198 ? 0.4040 0.6039 0.5109 0.0520 -0.0107 -0.0511 197 PHE D CD1 5992 C CD2 . PHE D 198 ? 0.4318 0.6491 0.5767 0.0933 -0.0193 -0.0427 197 PHE D CD2 5993 C CE1 . PHE D 198 ? 0.4356 0.6117 0.5144 0.0623 -0.0156 -0.0336 197 PHE D CE1 5994 C CE2 . PHE D 198 ? 0.4575 0.6517 0.5734 0.1039 -0.0231 -0.0204 197 PHE D CE2 5995 C CZ . PHE D 198 ? 0.4656 0.6403 0.5477 0.0881 -0.0206 -0.0172 197 PHE D CZ 5996 N N . TRP D 199 ? 0.3346 0.6306 0.5302 0.0118 -0.0058 -0.0864 198 TRP D N 5997 C CA . TRP D 199 ? 0.3274 0.6197 0.5245 -0.0094 -0.0079 -0.0845 198 TRP D CA 5998 C C . TRP D 199 ? 0.3309 0.6549 0.5733 -0.0125 -0.0247 -0.0982 198 TRP D C 5999 O O . TRP D 199 ? 0.3334 0.6506 0.5809 -0.0225 -0.0363 -0.1029 198 TRP D O 6000 C CB . TRP D 199 ? 0.3173 0.6123 0.5169 -0.0301 0.0155 -0.0758 198 TRP D CB 6001 C CG . TRP D 199 ? 0.3061 0.6039 0.5302 -0.0519 0.0146 -0.0705 198 TRP D CG 6002 C CD1 . TRP D 199 ? 0.2870 0.6173 0.5656 -0.0667 0.0224 -0.0700 198 TRP D CD1 6003 C CD2 . TRP D 199 ? 0.2732 0.5399 0.4791 -0.0601 0.0050 -0.0657 198 TRP D CD2 6004 N NE1 . TRP D 199 ? 0.2894 0.6066 0.5887 -0.0848 0.0184 -0.0640 198 TRP D NE1 6005 C CE2 . TRP D 199 ? 0.2760 0.5543 0.5302 -0.0801 0.0069 -0.0632 198 TRP D CE2 6006 C CE3 . TRP D 199 ? 0.2765 0.5084 0.4365 -0.0522 -0.0036 -0.0631 198 TRP D CE3 6007 C CZ2 . TRP D 199 ? 0.2771 0.5300 0.5355 -0.0912 -0.0011 -0.0609 198 TRP D CZ2 6008 C CZ3 . TRP D 199 ? 0.2913 0.5020 0.4500 -0.0627 -0.0107 -0.0611 198 TRP D CZ3 6009 C CH2 . TRP D 199 ? 0.2912 0.5112 0.4991 -0.0812 -0.0104 -0.0616 198 TRP D CH2 6010 N N . GLN D 200 ? 0.3406 0.7009 0.6218 -0.0033 -0.0271 -0.1079 199 GLN D N 6011 C CA . GLN D 200 ? 0.3487 0.7456 0.6838 -0.0074 -0.0442 -0.1248 199 GLN D CA 6012 C C . GLN D 200 ? 0.3678 0.7701 0.6895 0.0132 -0.0762 -0.1381 199 GLN D C 6013 O O . GLN D 200 ? 0.3790 0.8073 0.7393 0.0089 -0.0971 -0.1590 199 GLN D O 6014 C CB . GLN D 200 ? 0.3496 0.7908 0.7381 -0.0053 -0.0346 -0.1310 199 GLN D CB 6015 C CG . GLN D 200 ? 0.3449 0.7980 0.7607 -0.0298 -0.0040 -0.1199 199 GLN D CG 6016 C CD . GLN D 200 ? 0.3534 0.8489 0.8071 -0.0246 0.0149 -0.1224 199 GLN D CD 6017 O OE1 . GLN D 200 ? 0.3500 0.8616 0.8110 -0.0017 0.0066 -0.1330 199 GLN D OE1 6018 N NE2 . GLN D 200 ? 0.3611 0.8775 0.8413 -0.0444 0.0423 -0.1103 199 GLN D NE2 6019 N N . ASN D 201 ? 0.3719 0.7531 0.6421 0.0365 -0.0802 -0.1266 200 ASN D N 6020 C CA . ASN D 201 ? 0.3909 0.7831 0.6373 0.0617 -0.1075 -0.1325 200 ASN D CA 6021 C C . ASN D 201 ? 0.3860 0.7616 0.6058 0.0545 -0.1192 -0.1410 200 ASN D C 6022 O O . ASN D 201 ? 0.3804 0.7166 0.5589 0.0488 -0.1056 -0.1251 200 ASN D O 6023 C CB . ASN D 201 ? 0.4072 0.7813 0.6128 0.0887 -0.1028 -0.1090 200 ASN D CB 6024 C CG . ASN D 201 ? 0.4545 0.8495 0.6326 0.1206 -0.1280 -0.1067 200 ASN D CG 6025 O OD1 . ASN D 201 ? 0.4457 0.8649 0.6214 0.1232 -0.1505 -0.1271 200 ASN D OD1 6026 N ND2 . ASN D 201 ? 0.4999 0.8880 0.6596 0.1470 -0.1242 -0.0816 200 ASN D ND2 6027 N N . PRO D 202 ? 0.3879 0.7957 0.6361 0.0555 -0.1453 -0.1698 201 PRO D N 6028 C CA . PRO D 202 ? 0.3937 0.7867 0.6262 0.0483 -0.1564 -0.1850 201 PRO D CA 6029 C C . PRO D 202 ? 0.4187 0.8041 0.5813 0.0763 -0.1659 -0.1773 201 PRO D C 6030 O O . PRO D 202 ? 0.4161 0.7924 0.5604 0.0751 -0.1746 -0.1918 201 PRO D O 6031 C CB . PRO D 202 ? 0.4035 0.8390 0.6993 0.0430 -0.1837 -0.2250 201 PRO D CB 6032 C CG . PRO D 202 ? 0.4027 0.8833 0.7258 0.0601 -0.1948 -0.2292 201 PRO D CG 6033 C CD . PRO D 202 ? 0.3954 0.8560 0.7011 0.0616 -0.1661 -0.1943 201 PRO D CD 6034 N N . ARG D 203 ? 0.4350 0.8252 0.5634 0.1023 -0.1624 -0.1529 202 ARG D N 6035 C CA . ARG D 203 ? 0.4689 0.8537 0.5341 0.1295 -0.1648 -0.1350 202 ARG D CA 6036 C C . ARG D 203 ? 0.4574 0.7901 0.4889 0.1206 -0.1358 -0.1021 202 ARG D C 6037 O O . ARG D 203 ? 0.4799 0.8048 0.4641 0.1399 -0.1324 -0.0823 202 ARG D O 6038 C CB . ARG D 203 ? 0.4958 0.9183 0.5466 0.1665 -0.1785 -0.1220 202 ARG D CB 6039 C CG . ARG D 203 ? 0.5465 1.0301 0.6197 0.1823 -0.2141 -0.1590 202 ARG D CG 6040 C CD . ARG D 203 ? 0.6154 1.1377 0.6770 0.2199 -0.2266 -0.1405 202 ARG D CD 6041 N NE . ARG D 203 ? 0.6990 1.2282 0.6919 0.2533 -0.2275 -0.1140 202 ARG D NE 6042 C CZ . ARG D 203 ? 0.7699 1.3500 0.7356 0.2952 -0.2475 -0.1031 202 ARG D CZ 6043 N NH1 . ARG D 203 ? 0.7625 1.3907 0.7663 0.3090 -0.2716 -0.1201 202 ARG D NH1 6044 N NH2 . ARG D 203 ? 0.8167 1.4041 0.7181 0.3249 -0.2428 -0.0729 202 ARG D NH2 6045 N N . ASN D 204 ? 0.4220 0.7248 0.4791 0.0926 -0.1154 -0.0970 203 ASN D N 6046 C CA . ASN D 204 ? 0.4135 0.6710 0.4459 0.0815 -0.0910 -0.0731 203 ASN D CA 6047 C C . ASN D 204 ? 0.4104 0.6441 0.4364 0.0592 -0.0863 -0.0811 203 ASN D C 6048 O O . ASN D 204 ? 0.4003 0.6339 0.4607 0.0357 -0.0851 -0.0954 203 ASN D O 6049 C CB . ASN D 204 ? 0.3894 0.6329 0.4470 0.0694 -0.0718 -0.0635 203 ASN D CB 6050 C CG . ASN D 204 ? 0.3875 0.6427 0.4525 0.0931 -0.0721 -0.0504 203 ASN D CG 6051 O OD1 . ASN D 204 ? 0.3936 0.6492 0.4327 0.1181 -0.0767 -0.0316 203 ASN D OD1 6052 N ND2 . ASN D 204 ? 0.3662 0.6337 0.4691 0.0877 -0.0660 -0.0579 203 ASN D ND2 6053 N N . HIS D 205 ? 0.4282 0.6423 0.4142 0.0674 -0.0815 -0.0681 204 HIS D N 6054 C CA . HIS D 205 ? 0.4220 0.6131 0.3996 0.0512 -0.0776 -0.0739 204 HIS D CA 6055 C C . HIS D 205 ? 0.3980 0.5527 0.3674 0.0364 -0.0549 -0.0518 204 HIS D C 6056 O O . HIS D 205 ? 0.4103 0.5521 0.3589 0.0479 -0.0444 -0.0305 204 HIS D O 6057 C CB . HIS D 205 ? 0.4527 0.6544 0.3935 0.0726 -0.0880 -0.0785 204 HIS D CB 6058 C CG . HIS D 205 ? 0.4954 0.6809 0.4360 0.0599 -0.0894 -0.0936 204 HIS D CG 6059 N ND1 . HIS D 205 ? 0.5664 0.7583 0.4729 0.0776 -0.0935 -0.0984 204 HIS D ND1 6060 C CD2 . HIS D 205 ? 0.5157 0.6804 0.4885 0.0333 -0.0862 -0.1030 204 HIS D CD2 6061 C CE1 . HIS D 205 ? 0.5712 0.7447 0.4921 0.0623 -0.0944 -0.1142 204 HIS D CE1 6062 N NE2 . HIS D 205 ? 0.5398 0.6948 0.5017 0.0352 -0.0899 -0.1146 204 HIS D NE2 6063 N N . PHE D 206 ? 0.3658 0.5071 0.3560 0.0118 -0.0477 -0.0559 205 PHE D N 6064 C CA . PHE D 206 ? 0.3375 0.4535 0.3205 -0.0012 -0.0295 -0.0397 205 PHE D CA 6065 C C . PHE D 206 ? 0.3393 0.4343 0.3085 -0.0094 -0.0279 -0.0369 205 PHE D C 6066 O O . PHE D 206 ? 0.3437 0.4409 0.3273 -0.0165 -0.0368 -0.0497 205 PHE D O 6067 C CB . PHE D 206 ? 0.3167 0.4405 0.3274 -0.0191 -0.0208 -0.0418 205 PHE D CB 6068 C CG . PHE D 206 ? 0.3177 0.4650 0.3484 -0.0113 -0.0208 -0.0469 205 PHE D CG 6069 C CD1 . PHE D 206 ? 0.3203 0.4958 0.3777 -0.0066 -0.0348 -0.0615 205 PHE D CD1 6070 C CD2 . PHE D 206 ? 0.3036 0.4471 0.3324 -0.0076 -0.0084 -0.0410 205 PHE D CD2 6071 C CE1 . PHE D 206 ? 0.3161 0.5163 0.3959 0.0023 -0.0352 -0.0659 205 PHE D CE1 6072 C CE2 . PHE D 206 ? 0.3169 0.4820 0.3688 0.0014 -0.0077 -0.0472 205 PHE D CE2 6073 C CZ . PHE D 206 ? 0.3336 0.5277 0.4105 0.0066 -0.0205 -0.0577 205 PHE D CZ 6074 N N . ARG D 207 ? 0.3368 0.4118 0.2856 -0.0082 -0.0173 -0.0221 206 ARG D N 6075 C CA . ARG D 207 ? 0.3443 0.4016 0.2826 -0.0144 -0.0155 -0.0186 206 ARG D CA 6076 C C . ARG D 207 ? 0.3467 0.3880 0.2808 -0.0241 -0.0032 -0.0058 206 ARG D C 6077 O O . ARG D 207 ? 0.3398 0.3773 0.2709 -0.0181 0.0036 0.0010 206 ARG D O 6078 C CB . ARG D 207 ? 0.3377 0.3961 0.2533 0.0039 -0.0198 -0.0183 206 ARG D CB 6079 C CG . ARG D 207 ? 0.3451 0.3884 0.2565 -0.0015 -0.0188 -0.0194 206 ARG D CG 6080 C CD . ARG D 207 ? 0.3450 0.3961 0.2330 0.0186 -0.0201 -0.0206 206 ARG D CD 6081 N NE . ARG D 207 ? 0.3543 0.4311 0.2372 0.0341 -0.0353 -0.0416 206 ARG D NE 6082 C CZ . ARG D 207 ? 0.3770 0.4585 0.2727 0.0333 -0.0485 -0.0681 206 ARG D CZ 6083 N NH1 . ARG D 207 ? 0.3702 0.4805 0.2635 0.0491 -0.0654 -0.0936 206 ARG D NH1 6084 N NH2 . ARG D 207 ? 0.3471 0.4055 0.2627 0.0177 -0.0462 -0.0704 206 ARG D NH2 6085 N N . CYS D 208 ? 0.3509 0.3846 0.2896 -0.0378 -0.0019 -0.0037 207 CYS D N 6086 C CA . CYS D 208 ? 0.3767 0.4015 0.3092 -0.0451 0.0054 0.0053 207 CYS D CA 6087 C C . CYS D 208 ? 0.3540 0.3645 0.2780 -0.0409 0.0041 0.0103 207 CYS D C 6088 O O . CYS D 208 ? 0.3740 0.3804 0.3027 -0.0419 -0.0014 0.0072 207 CYS D O 6089 C CB . CYS D 208 ? 0.3725 0.4044 0.3136 -0.0594 0.0079 0.0104 207 CYS D CB 6090 S SG . CYS D 208 ? 0.5590 0.5887 0.4865 -0.0625 0.0121 0.0177 207 CYS D SG 6091 N N . GLN D 209 ? 0.3385 0.3423 0.2575 -0.0366 0.0097 0.0165 208 GLN D N 6092 C CA . GLN D 209 ? 0.3353 0.3304 0.2503 -0.0313 0.0112 0.0223 208 GLN D CA 6093 C C . GLN D 209 ? 0.3346 0.3256 0.2565 -0.0397 0.0132 0.0271 208 GLN D C 6094 O O . GLN D 209 ? 0.3296 0.3233 0.2592 -0.0434 0.0159 0.0251 208 GLN D O 6095 C CB . GLN D 209 ? 0.3456 0.3418 0.2560 -0.0164 0.0179 0.0297 208 GLN D CB 6096 C CG . GLN D 209 ? 0.3681 0.3601 0.2814 -0.0117 0.0256 0.0401 208 GLN D CG 6097 C CD . GLN D 209 ? 0.3721 0.3695 0.2830 0.0043 0.0367 0.0556 208 GLN D CD 6098 O OE1 . GLN D 209 ? 0.4106 0.4209 0.3018 0.0198 0.0355 0.0561 208 GLN D OE1 6099 N NE2 . GLN D 209 ? 0.3822 0.3730 0.3169 0.0017 0.0477 0.0692 208 GLN D NE2 6100 N N . VAL D 210 ? 0.3327 0.3192 0.2558 -0.0411 0.0104 0.0305 209 VAL D N 6101 C CA . VAL D 210 ? 0.3258 0.3133 0.2569 -0.0458 0.0101 0.0348 209 VAL D CA 6102 C C . VAL D 210 ? 0.3242 0.3076 0.2628 -0.0382 0.0142 0.0396 209 VAL D C 6103 O O . VAL D 210 ? 0.3337 0.3132 0.2700 -0.0326 0.0124 0.0393 209 VAL D O 6104 C CB . VAL D 210 ? 0.3250 0.3169 0.2553 -0.0533 0.0032 0.0396 209 VAL D CB 6105 C CG1 . VAL D 210 ? 0.3409 0.3405 0.2780 -0.0547 -0.0003 0.0425 209 VAL D CG1 6106 C CG2 . VAL D 210 ? 0.3274 0.3309 0.2504 -0.0601 0.0030 0.0388 209 VAL D CG2 6107 N N . GLN D 211 ? 0.3124 0.2980 0.2663 -0.0378 0.0205 0.0426 210 GLN D N 6108 C CA . GLN D 211 ? 0.3128 0.2998 0.2814 -0.0319 0.0272 0.0499 210 GLN D CA 6109 C C . GLN D 211 ? 0.3129 0.3056 0.2955 -0.0388 0.0183 0.0479 210 GLN D C 6110 O O . GLN D 211 ? 0.3055 0.3060 0.3002 -0.0469 0.0120 0.0413 210 GLN D O 6111 C CB . GLN D 211 ? 0.3004 0.2882 0.2916 -0.0296 0.0398 0.0584 210 GLN D CB 6112 C CG . GLN D 211 ? 0.3242 0.3188 0.3400 -0.0259 0.0491 0.0682 210 GLN D CG 6113 C CD . GLN D 211 ? 0.3570 0.3584 0.3537 -0.0091 0.0601 0.0777 210 GLN D CD 6114 O OE1 . GLN D 211 ? 0.3739 0.3799 0.3665 -0.0041 0.0574 0.0731 210 GLN D OE1 6115 N NE2 . GLN D 211 ? 0.3360 0.3411 0.3212 0.0019 0.0717 0.0896 210 GLN D NE2 6116 N N . PHE D 212 ? 0.3085 0.3006 0.2910 -0.0332 0.0162 0.0511 211 PHE D N 6117 C CA . PHE D 212 ? 0.2893 0.2886 0.2857 -0.0360 0.0068 0.0528 211 PHE D CA 6118 C C . PHE D 212 ? 0.2983 0.3061 0.3227 -0.0311 0.0140 0.0560 211 PHE D C 6119 O O . PHE D 212 ? 0.3290 0.3356 0.3539 -0.0210 0.0261 0.0596 211 PHE D O 6120 C CB . PHE D 212 ? 0.2967 0.2875 0.2846 -0.0325 0.0000 0.0563 211 PHE D CB 6121 C CG . PHE D 212 ? 0.2764 0.2742 0.2811 -0.0304 -0.0090 0.0635 211 PHE D CG 6122 C CD1 . PHE D 212 ? 0.2604 0.2733 0.2630 -0.0358 -0.0202 0.0687 211 PHE D CD1 6123 C CD2 . PHE D 212 ? 0.2559 0.2501 0.2779 -0.0202 -0.0067 0.0643 211 PHE D CD2 6124 C CE1 . PHE D 212 ? 0.2987 0.3230 0.3162 -0.0306 -0.0304 0.0783 211 PHE D CE1 6125 C CE2 . PHE D 212 ? 0.2964 0.2980 0.3390 -0.0159 -0.0159 0.0726 211 PHE D CE2 6126 C CZ . PHE D 212 ? 0.2702 0.2870 0.3104 -0.0210 -0.0285 0.0814 211 PHE D CZ 6127 N N . TYR D 213 ? 0.2960 0.3178 0.3455 -0.0368 0.0068 0.0535 212 TYR D N 6128 C CA . TYR D 213 ? 0.3010 0.3349 0.3864 -0.0330 0.0125 0.0569 212 TYR D CA 6129 C C . TYR D 213 ? 0.3072 0.3494 0.3998 -0.0272 0.0007 0.0593 212 TYR D C 6130 O O . TYR D 213 ? 0.3054 0.3557 0.3920 -0.0302 -0.0159 0.0581 212 TYR D O 6131 C CB . TYR D 213 ? 0.2958 0.3420 0.4197 -0.0426 0.0121 0.0499 212 TYR D CB 6132 C CG . TYR D 213 ? 0.3106 0.3445 0.4363 -0.0452 0.0271 0.0533 212 TYR D CG 6133 C CD1 . TYR D 213 ? 0.2996 0.3253 0.4076 -0.0512 0.0209 0.0434 212 TYR D CD1 6134 C CD2 . TYR D 213 ? 0.3191 0.3521 0.4618 -0.0385 0.0492 0.0697 212 TYR D CD2 6135 C CE1 . TYR D 213 ? 0.3268 0.3405 0.4401 -0.0511 0.0340 0.0488 212 TYR D CE1 6136 C CE2 . TYR D 213 ? 0.3521 0.3753 0.4965 -0.0376 0.0636 0.0797 212 TYR D CE2 6137 C CZ . TYR D 213 ? 0.3671 0.3787 0.4987 -0.0440 0.0549 0.0690 212 TYR D CZ 6138 O OH . TYR D 213 ? 0.4322 0.4337 0.5706 -0.0411 0.0688 0.0812 212 TYR D OH 6139 N N . GLY D 214 ? 0.3243 0.3672 0.4297 -0.0162 0.0102 0.0639 213 GLY D N 6140 C CA . GLY D 214 ? 0.3116 0.3588 0.4293 -0.0074 0.0006 0.0667 213 GLY D CA 6141 C C . GLY D 214 ? 0.3266 0.3887 0.4784 0.0024 0.0133 0.0678 213 GLY D C 6142 O O . GLY D 214 ? 0.3212 0.3999 0.5029 -0.0019 0.0241 0.0693 213 GLY D O 6143 N N . LEU D 215 ? 0.3352 0.3921 0.4889 0.0163 0.0140 0.0668 214 LEU D N 6144 C CA . LEU D 215 ? 0.3426 0.4174 0.5280 0.0294 0.0268 0.0659 214 LEU D CA 6145 C C . LEU D 215 ? 0.3654 0.4480 0.5407 0.0365 0.0526 0.0658 214 LEU D C 6146 O O . LEU D 215 ? 0.3661 0.4360 0.5051 0.0351 0.0578 0.0642 214 LEU D O 6147 C CB . LEU D 215 ? 0.3455 0.4106 0.5379 0.0444 0.0190 0.0611 214 LEU D CB 6148 C CG . LEU D 215 ? 0.3215 0.3943 0.5441 0.0457 -0.0006 0.0692 214 LEU D CG 6149 C CD1 . LEU D 215 ? 0.3014 0.3690 0.5043 0.0322 -0.0202 0.0788 214 LEU D CD1 6150 C CD2 . LEU D 215 ? 0.3161 0.3761 0.5562 0.0631 -0.0049 0.0661 214 LEU D CD2 6151 N N . SER D 216 ? 0.3907 0.4993 0.5995 0.0454 0.0696 0.0701 215 SER D N 6152 C CA . SER D 216 ? 0.4372 0.5612 0.6340 0.0578 0.0970 0.0750 215 SER D CA 6153 C C . SER D 216 ? 0.4754 0.6069 0.6634 0.0813 0.1020 0.0597 215 SER D C 6154 O O . SER D 216 ? 0.4746 0.5969 0.6793 0.0857 0.0857 0.0488 215 SER D O 6155 C CB . SER D 216 ? 0.4297 0.5826 0.6734 0.0536 0.1181 0.0927 215 SER D CB 6156 O OG . SER D 216 ? 0.4562 0.6310 0.7431 0.0617 0.1188 0.0895 215 SER D OG 6157 N N . GLU D 217 ? 0.5250 0.6750 0.6872 0.0984 0.1242 0.0587 216 GLU D N 6158 C CA . GLU D 217 ? 0.5806 0.7434 0.7281 0.1246 0.1299 0.0363 216 GLU D CA 6159 C C . GLU D 217 ? 0.5819 0.7671 0.7784 0.1349 0.1369 0.0347 216 GLU D C 6160 O O . GLU D 217 ? 0.6045 0.7933 0.8061 0.1545 0.1340 0.0113 216 GLU D O 6161 C CB . GLU D 217 ? 0.6182 0.8109 0.7255 0.1437 0.1551 0.0395 216 GLU D CB 6162 C CG . GLU D 217 ? 0.6697 0.8472 0.7365 0.1325 0.1521 0.0512 216 GLU D CG 6163 C CD . GLU D 217 ? 0.7610 0.9404 0.7737 0.1504 0.1452 0.0261 216 GLU D CD 6164 O OE1 . GLU D 217 ? 0.7594 0.9109 0.7506 0.1370 0.1271 0.0216 216 GLU D OE1 6165 O OE2 . GLU D 217 ? 0.7836 0.9967 0.7771 0.1788 0.1577 0.0089 216 GLU D OE2 6166 N N . ASN D 218 ? 0.5667 0.7669 0.8067 0.1213 0.1440 0.0569 217 ASN D N 6167 C CA . ASN D 218 ? 0.5632 0.7921 0.8576 0.1304 0.1522 0.0579 217 ASN D CA 6168 C C . ASN D 218 ? 0.5417 0.7583 0.8810 0.1190 0.1246 0.0560 217 ASN D C 6169 O O . ASN D 218 ? 0.5405 0.7832 0.9300 0.1277 0.1287 0.0560 217 ASN D O 6170 C CB . ASN D 218 ? 0.5751 0.8443 0.8976 0.1306 0.1859 0.0830 217 ASN D CB 6171 C CG . ASN D 218 ? 0.6210 0.9247 0.9110 0.1593 0.2176 0.0816 217 ASN D CG 6172 O OD1 . ASN D 218 ? 0.6429 0.9832 0.9593 0.1796 0.2359 0.0766 217 ASN D OD1 6173 N ND2 . ASN D 218 ? 0.6347 0.9308 0.8652 0.1641 0.2224 0.0830 217 ASN D ND2 6174 N N . ASP D 219 ? 0.5118 0.6940 0.8319 0.1022 0.0972 0.0555 218 ASP D N 6175 C CA . ASP D 219 ? 0.4905 0.6639 0.8396 0.0964 0.0693 0.0560 218 ASP D CA 6176 C C . ASP D 219 ? 0.4956 0.6541 0.8479 0.1169 0.0600 0.0413 218 ASP D C 6177 O O . ASP D 219 ? 0.5137 0.6533 0.8331 0.1267 0.0642 0.0262 218 ASP D O 6178 C CB . ASP D 219 ? 0.4777 0.6247 0.7978 0.0754 0.0467 0.0619 218 ASP D CB 6179 C CG . ASP D 219 ? 0.4750 0.6398 0.8180 0.0552 0.0448 0.0710 218 ASP D CG 6180 O OD1 . ASP D 219 ? 0.4624 0.6559 0.8583 0.0538 0.0396 0.0729 218 ASP D OD1 6181 O OD2 . ASP D 219 ? 0.4651 0.6158 0.7791 0.0409 0.0465 0.0734 218 ASP D OD2 6182 N N . GLU D 220 ? 0.4820 0.6501 0.8796 0.1245 0.0464 0.0437 219 GLU D N 6183 C CA . GLU D 220 ? 0.4876 0.6367 0.9000 0.1436 0.0356 0.0326 219 GLU D CA 6184 C C . GLU D 220 ? 0.4796 0.5873 0.8696 0.1346 0.0109 0.0404 219 GLU D C 6185 O O . GLU D 220 ? 0.4588 0.5642 0.8347 0.1171 -0.0035 0.0577 219 GLU D O 6186 C CB . GLU D 220 ? 0.4983 0.6743 0.9723 0.1572 0.0296 0.0368 219 GLU D CB 6187 N N . TRP D 221 ? 0.4917 0.5692 0.8838 0.1474 0.0068 0.0267 220 TRP D N 6188 C CA . TRP D 221 ? 0.4918 0.5298 0.8727 0.1388 -0.0123 0.0379 220 TRP D CA 6189 C C . TRP D 221 ? 0.5242 0.5377 0.9520 0.1573 -0.0225 0.0339 220 TRP D C 6190 O O . TRP D 221 ? 0.5444 0.5483 0.9873 0.1733 -0.0140 0.0040 220 TRP D O 6191 C CB . TRP D 221 ? 0.4772 0.4939 0.8116 0.1279 -0.0060 0.0245 220 TRP D CB 6192 C CG . TRP D 221 ? 0.4693 0.4516 0.7922 0.1143 -0.0218 0.0399 220 TRP D CG 6193 C CD1 . TRP D 221 ? 0.4771 0.4248 0.8073 0.1160 -0.0261 0.0270 220 TRP D CD1 6194 C CD2 . TRP D 221 ? 0.4289 0.4127 0.7341 0.0975 -0.0341 0.0702 220 TRP D CD2 6195 N NE1 . TRP D 221 ? 0.4677 0.3945 0.7888 0.0999 -0.0375 0.0530 220 TRP D NE1 6196 C CE2 . TRP D 221 ? 0.4487 0.3992 0.7494 0.0899 -0.0422 0.0798 220 TRP D CE2 6197 C CE3 . TRP D 221 ? 0.3914 0.4052 0.6878 0.0889 -0.0395 0.0874 220 TRP D CE3 6198 C CZ2 . TRP D 221 ? 0.4389 0.3886 0.7198 0.0761 -0.0524 0.1101 220 TRP D CZ2 6199 C CZ3 . TRP D 221 ? 0.4114 0.4247 0.6856 0.0763 -0.0531 0.1107 220 TRP D CZ3 6200 C CH2 . TRP D 221 ? 0.4020 0.3850 0.6653 0.0709 -0.0580 0.1239 220 TRP D CH2 6201 N N . THR D 222 ? 0.5384 0.5433 0.9908 0.1572 -0.0413 0.0637 221 THR D N 6202 C CA . THR D 222 ? 0.5810 0.5624 1.0906 0.1770 -0.0510 0.0670 221 THR D CA 6203 C C . THR D 222 ? 0.6042 0.5378 1.1231 0.1714 -0.0614 0.0813 221 THR D C 6204 O O . THR D 222 ? 0.6415 0.5483 1.2159 0.1870 -0.0675 0.0822 221 THR D O 6205 C CB . THR D 222 ? 0.5870 0.5932 1.1337 0.1880 -0.0655 0.0962 221 THR D CB 6206 O OG1 . THR D 222 ? 0.5748 0.5858 1.0926 0.1732 -0.0812 0.1332 221 THR D OG1 6207 C CG2 . THR D 222 ? 0.5723 0.6281 1.1298 0.1941 -0.0556 0.0823 221 THR D CG2 6208 N N . GLN D 223 ? 0.5938 0.5178 1.0661 0.1494 -0.0624 0.0940 222 GLN D N 6209 C CA . GLN D 223 ? 0.6169 0.5011 1.1009 0.1410 -0.0696 0.1141 222 GLN D CA 6210 C C . GLN D 223 ? 0.6355 0.4869 1.1325 0.1398 -0.0629 0.0757 222 GLN D C 6211 O O . GLN D 223 ? 0.6215 0.4871 1.0915 0.1415 -0.0522 0.0361 222 GLN D O 6212 C CB . GLN D 223 ? 0.5948 0.4896 1.0265 0.1197 -0.0734 0.1458 222 GLN D CB 6213 C CG . GLN D 223 ? 0.5858 0.5137 1.0091 0.1231 -0.0859 0.1845 222 GLN D CG 6214 C CD . GLN D 223 ? 0.5661 0.5158 0.9298 0.1043 -0.0882 0.2012 222 GLN D CD 6215 O OE1 . GLN D 223 ? 0.6086 0.5384 0.9511 0.0903 -0.0835 0.2075 222 GLN D OE1 6216 N NE2 . GLN D 223 ? 0.5256 0.5186 0.8676 0.1045 -0.0959 0.2049 222 GLN D NE2 6217 N N . ASP D 224 ? 0.6760 0.4866 1.2179 0.1378 -0.0695 0.0892 223 ASP D N 6218 C CA . ASP D 224 ? 0.7037 0.4809 1.2730 0.1349 -0.0679 0.0522 223 ASP D CA 6219 C C . ASP D 224 ? 0.6742 0.4595 1.1830 0.1138 -0.0625 0.0390 223 ASP D C 6220 O O . ASP D 224 ? 0.6842 0.4677 1.1875 0.1162 -0.0595 -0.0083 223 ASP D O 6221 C CB . ASP D 224 ? 0.7504 0.4812 1.3958 0.1346 -0.0758 0.0791 223 ASP D CB 6222 C CG . ASP D 224 ? 0.8143 0.5075 1.5167 0.1355 -0.0778 0.0304 223 ASP D CG 6223 O OD1 . ASP D 224 ? 0.8336 0.5331 1.5006 0.1239 -0.0752 -0.0053 223 ASP D OD1 6224 O OD2 . ASP D 224 ? 0.8467 0.5043 1.6357 0.1481 -0.0837 0.0272 223 ASP D OD2 6225 N N . ARG D 225 ? 0.6423 0.4408 1.1054 0.0959 -0.0621 0.0776 224 ARG D N 6226 C CA . ARG D 225 ? 0.6149 0.4194 1.0274 0.0766 -0.0573 0.0671 224 ARG D CA 6227 C C . ARG D 225 ? 0.5836 0.4181 0.9456 0.0809 -0.0487 0.0285 224 ARG D C 6228 O O . ARG D 225 ? 0.5833 0.4397 0.9430 0.0955 -0.0444 0.0196 224 ARG D O 6229 C CB . ARG D 225 ? 0.6056 0.4225 0.9810 0.0595 -0.0577 0.1139 224 ARG D CB 6230 C CG . ARG D 225 ? 0.5654 0.4206 0.9008 0.0625 -0.0590 0.1348 224 ARG D CG 6231 C CD . ARG D 225 ? 0.5419 0.4106 0.8499 0.0508 -0.0624 0.1786 224 ARG D CD 6232 N NE . ARG D 225 ? 0.5181 0.4271 0.7915 0.0537 -0.0678 0.1922 224 ARG D NE 6233 C CZ . ARG D 225 ? 0.4525 0.3882 0.6778 0.0438 -0.0648 0.1772 224 ARG D CZ 6234 N NH1 . ARG D 225 ? 0.3729 0.3001 0.5734 0.0321 -0.0554 0.1522 224 ARG D NH1 6235 N NH2 . ARG D 225 ? 0.3963 0.3685 0.6043 0.0467 -0.0726 0.1857 224 ARG D NH2 6236 N N . ALA D 226 ? 0.5582 0.3956 0.8849 0.0700 -0.0452 0.0082 225 ALA D N 6237 C CA . ALA D 226 ? 0.5300 0.3972 0.8084 0.0758 -0.0357 -0.0199 225 ALA D CA 6238 C C . ALA D 226 ? 0.5020 0.3985 0.7434 0.0715 -0.0287 0.0062 225 ALA D C 6239 O O . ALA D 226 ? 0.4872 0.3846 0.7170 0.0575 -0.0330 0.0390 225 ALA D O 6240 C CB . ALA D 226 ? 0.5290 0.3961 0.7767 0.0649 -0.0355 -0.0377 225 ALA D CB 6241 N N . LYS D 227 ? 0.4891 0.4128 0.7159 0.0844 -0.0176 -0.0098 226 LYS D N 6242 C CA . LYS D 227 ? 0.4626 0.4153 0.6677 0.0800 -0.0098 0.0093 226 LYS D CA 6243 C C . LYS D 227 ? 0.4344 0.3927 0.5964 0.0609 -0.0077 0.0219 226 LYS D C 6244 O O . LYS D 227 ? 0.4409 0.4002 0.5746 0.0600 -0.0016 0.0061 226 LYS D O 6245 C CB . LYS D 227 ? 0.4699 0.4512 0.6731 0.0977 0.0062 -0.0102 226 LYS D CB 6246 C CG . LYS D 227 ? 0.4706 0.4817 0.6791 0.0961 0.0149 0.0081 226 LYS D CG 6247 C CD . LYS D 227 ? 0.5284 0.5694 0.7426 0.1161 0.0345 -0.0087 226 LYS D CD 6248 C CE . LYS D 227 ? 0.5512 0.6241 0.7656 0.1095 0.0494 0.0101 226 LYS D CE 6249 N NZ . LYS D 227 ? 0.6149 0.7217 0.8249 0.1284 0.0749 -0.0001 226 LYS D NZ 6250 N N . PRO D 228 ? 0.4078 0.3727 0.5657 0.0479 -0.0143 0.0481 227 PRO D N 6251 C CA . PRO D 228 ? 0.3818 0.3502 0.5051 0.0308 -0.0143 0.0569 227 PRO D CA 6252 C C . PRO D 228 ? 0.3682 0.3588 0.4741 0.0285 -0.0014 0.0525 227 PRO D C 6253 O O . PRO D 228 ? 0.3500 0.3568 0.4589 0.0200 -0.0035 0.0630 227 PRO D O 6254 C CB . PRO D 228 ? 0.3798 0.3531 0.5092 0.0232 -0.0276 0.0818 227 PRO D CB 6255 C CG . PRO D 228 ? 0.3767 0.3607 0.5410 0.0360 -0.0324 0.0876 227 PRO D CG 6256 C CD . PRO D 228 ? 0.4080 0.3786 0.5952 0.0512 -0.0251 0.0683 227 PRO D CD 6257 N N . VAL D 229 ? 0.3701 0.3637 0.4617 0.0372 0.0114 0.0367 228 VAL D N 6258 C CA . VAL D 229 ? 0.3477 0.3626 0.4285 0.0383 0.0280 0.0392 228 VAL D CA 6259 C C . VAL D 229 ? 0.3294 0.3401 0.3855 0.0235 0.0278 0.0461 228 VAL D C 6260 O O . VAL D 229 ? 0.3328 0.3274 0.3709 0.0159 0.0184 0.0433 228 VAL D O 6261 C CB . VAL D 229 ? 0.3786 0.4072 0.4461 0.0583 0.0439 0.0239 228 VAL D CB 6262 C CG1 . VAL D 229 ? 0.3790 0.4194 0.4753 0.0754 0.0483 0.0149 228 VAL D CG1 6263 C CG2 . VAL D 229 ? 0.3716 0.3866 0.4117 0.0627 0.0372 0.0046 228 VAL D CG2 6264 N N . THR D 230 ? 0.3115 0.3376 0.3742 0.0196 0.0397 0.0554 229 THR D N 6265 C CA . THR D 230 ? 0.3026 0.3260 0.3476 0.0109 0.0447 0.0604 229 THR D CA 6266 C C . THR D 230 ? 0.3054 0.3226 0.3153 0.0202 0.0475 0.0517 229 THR D C 6267 O O . THR D 230 ? 0.3099 0.3385 0.3122 0.0369 0.0568 0.0457 229 THR D O 6268 C CB . THR D 230 ? 0.2964 0.3377 0.3657 0.0118 0.0632 0.0732 229 THR D CB 6269 O OG1 . THR D 230 ? 0.3109 0.3609 0.4200 0.0021 0.0559 0.0749 229 THR D OG1 6270 C CG2 . THR D 230 ? 0.2789 0.3161 0.3388 0.0059 0.0715 0.0817 229 THR D CG2 6271 N N . GLN D 231 ? 0.2978 0.3018 0.2884 0.0108 0.0384 0.0486 230 GLN D N 6272 C CA . GLN D 231 ? 0.3175 0.3181 0.2811 0.0183 0.0359 0.0367 230 GLN D CA 6273 C C . GLN D 231 ? 0.3189 0.3106 0.2704 0.0055 0.0296 0.0387 230 GLN D C 6274 O O . GLN D 231 ? 0.3238 0.3106 0.2851 -0.0083 0.0249 0.0452 230 GLN D O 6275 C CB . GLN D 231 ? 0.3255 0.3150 0.2954 0.0224 0.0236 0.0194 230 GLN D CB 6276 C CG . GLN D 231 ? 0.3028 0.2745 0.2893 0.0063 0.0100 0.0258 230 GLN D CG 6277 C CD . GLN D 231 ? 0.3233 0.2812 0.3328 0.0108 0.0008 0.0165 230 GLN D CD 6278 O OE1 . GLN D 231 ? 0.3096 0.2559 0.3236 0.0095 -0.0064 0.0038 230 GLN D OE1 6279 N NE2 . GLN D 231 ? 0.2932 0.2524 0.3252 0.0168 0.0009 0.0216 230 GLN D NE2 6280 N N . ILE D 232 ? 0.3377 0.3325 0.2680 0.0125 0.0290 0.0308 231 ILE D N 6281 C CA . ILE D 232 ? 0.3288 0.3176 0.2512 0.0025 0.0223 0.0295 231 ILE D CA 6282 C C . ILE D 232 ? 0.3345 0.3141 0.2616 -0.0021 0.0088 0.0145 231 ILE D C 6283 O O . ILE D 232 ? 0.3537 0.3358 0.2815 0.0087 0.0044 -0.0018 231 ILE D O 6284 C CB . ILE D 232 ? 0.3393 0.3408 0.2418 0.0147 0.0288 0.0317 231 ILE D CB 6285 C CG1 . ILE D 232 ? 0.3441 0.3497 0.2551 0.0157 0.0440 0.0530 231 ILE D CG1 6286 C CG2 . ILE D 232 ? 0.3120 0.3112 0.2079 0.0084 0.0188 0.0232 231 ILE D CG2 6287 C CD1 . ILE D 232 ? 0.3332 0.3552 0.2269 0.0340 0.0554 0.0656 231 ILE D CD1 6288 N N . VAL D 233 ? 0.3410 0.3123 0.2766 -0.0177 0.0032 0.0199 232 VAL D N 6289 C CA . VAL D 233 ? 0.3442 0.3087 0.2917 -0.0249 -0.0059 0.0118 232 VAL D CA 6290 C C . VAL D 233 ? 0.3429 0.3149 0.2817 -0.0317 -0.0056 0.0121 232 VAL D C 6291 O O . VAL D 233 ? 0.3272 0.3040 0.2574 -0.0365 -0.0003 0.0216 232 VAL D O 6292 C CB . VAL D 233 ? 0.3580 0.3113 0.3270 -0.0355 -0.0097 0.0246 232 VAL D CB 6293 C CG1 . VAL D 233 ? 0.3250 0.2692 0.3199 -0.0430 -0.0162 0.0203 232 VAL D CG1 6294 C CG2 . VAL D 233 ? 0.3409 0.2887 0.3213 -0.0272 -0.0097 0.0271 232 VAL D CG2 6295 N N . SER D 234 ? 0.3549 0.3295 0.3025 -0.0317 -0.0125 -0.0017 233 SER D N 6296 C CA . SER D 234 ? 0.3738 0.3604 0.3149 -0.0331 -0.0128 -0.0051 233 SER D CA 6297 C C . SER D 234 ? 0.3617 0.3502 0.3306 -0.0423 -0.0207 -0.0156 233 SER D C 6298 O O . SER D 234 ? 0.3693 0.3498 0.3634 -0.0432 -0.0283 -0.0273 233 SER D O 6299 C CB . SER D 234 ? 0.3921 0.3914 0.3110 -0.0142 -0.0126 -0.0134 233 SER D CB 6300 O OG . SER D 234 ? 0.4744 0.4881 0.3911 -0.0101 -0.0177 -0.0218 233 SER D OG 6301 N N . ALA D 235 ? 0.3500 0.3498 0.3218 -0.0491 -0.0184 -0.0124 234 ALA D N 6302 C CA . ALA D 235 ? 0.3464 0.3542 0.3513 -0.0578 -0.0244 -0.0224 234 ALA D CA 6303 C C . ALA D 235 ? 0.3389 0.3674 0.3358 -0.0517 -0.0261 -0.0307 234 ALA D C 6304 O O . ALA D 235 ? 0.3393 0.3720 0.3110 -0.0461 -0.0187 -0.0214 234 ALA D O 6305 C CB . ALA D 235 ? 0.3294 0.3343 0.3586 -0.0757 -0.0158 -0.0013 234 ALA D CB 6306 N N . GLU D 236 ? 0.3374 0.3791 0.3641 -0.0536 -0.0362 -0.0484 235 GLU D N 6307 C CA . GLU D 236 ? 0.3538 0.4185 0.3730 -0.0409 -0.0440 -0.0622 235 GLU D CA 6308 C C . GLU D 236 ? 0.3562 0.4392 0.4220 -0.0525 -0.0493 -0.0730 235 GLU D C 6309 O O . GLU D 236 ? 0.3626 0.4388 0.4713 -0.0675 -0.0509 -0.0762 235 GLU D O 6310 C CB . GLU D 236 ? 0.3623 0.4332 0.3618 -0.0206 -0.0573 -0.0822 235 GLU D CB 6311 C CG . GLU D 236 ? 0.4660 0.5668 0.4730 -0.0066 -0.0751 -0.1084 235 GLU D CG 6312 C CD . GLU D 236 ? 0.5273 0.6331 0.5828 -0.0145 -0.0918 -0.1397 235 GLU D CD 6313 O OE1 . GLU D 236 ? 0.5847 0.6686 0.6569 -0.0218 -0.0913 -0.1445 235 GLU D OE1 6314 O OE2 . GLU D 236 ? 0.5655 0.6978 0.6489 -0.0126 -0.1064 -0.1614 235 GLU D OE2 6315 N N . ALA D 237 ? 0.3588 0.4651 0.4237 -0.0457 -0.0510 -0.0765 236 ALA D N 6316 C CA . ALA D 237 ? 0.3585 0.4902 0.4720 -0.0524 -0.0599 -0.0930 236 ALA D CA 6317 C C . ALA D 237 ? 0.3666 0.5258 0.4668 -0.0341 -0.0676 -0.1009 236 ALA D C 6318 O O . ALA D 237 ? 0.3636 0.5181 0.4256 -0.0220 -0.0588 -0.0850 236 ALA D O 6319 C CB . ALA D 237 ? 0.3455 0.4793 0.4939 -0.0741 -0.0428 -0.0747 236 ALA D CB 6320 N N . TRP D 238 ? 0.3727 0.5607 0.5122 -0.0324 -0.0845 -0.1250 237 TRP D N 6321 C CA . TRP D 238 ? 0.3872 0.6083 0.5256 -0.0148 -0.0948 -0.1333 237 TRP D CA 6322 C C . TRP D 238 ? 0.3820 0.6199 0.5624 -0.0286 -0.0831 -0.1264 237 TRP D C 6323 O O . TRP D 238 ? 0.3755 0.6135 0.6036 -0.0516 -0.0753 -0.1258 237 TRP D O 6324 C CB . TRP D 238 ? 0.3968 0.6494 0.5571 -0.0022 -0.1241 -0.1695 237 TRP D CB 6325 C CG . TRP D 238 ? 0.4283 0.6770 0.5436 0.0176 -0.1365 -0.1810 237 TRP D CG 6326 C CD1 . TRP D 238 ? 0.4380 0.6659 0.5566 0.0104 -0.1395 -0.1943 237 TRP D CD1 6327 C CD2 . TRP D 238 ? 0.4409 0.7104 0.5019 0.0504 -0.1455 -0.1779 237 TRP D CD2 6328 N NE1 . TRP D 238 ? 0.4647 0.7027 0.5325 0.0370 -0.1496 -0.2038 237 TRP D NE1 6329 C CE2 . TRP D 238 ? 0.4663 0.7312 0.4963 0.0620 -0.1525 -0.1912 237 TRP D CE2 6330 C CE3 . TRP D 238 ? 0.4276 0.7215 0.4664 0.0730 -0.1475 -0.1631 237 TRP D CE3 6331 C CZ2 . TRP D 238 ? 0.4874 0.7756 0.4601 0.0955 -0.1590 -0.1875 237 TRP D CZ2 6332 C CZ3 . TRP D 238 ? 0.4660 0.7791 0.4512 0.1060 -0.1548 -0.1556 237 TRP D CZ3 6333 C CH2 . TRP D 238 ? 0.5060 0.8186 0.4561 0.1172 -0.1596 -0.1670 237 TRP D CH2 6334 N N . GLY D 239 ? 0.3896 0.6440 0.5569 -0.0133 -0.0806 -0.1197 238 GLY D N 6335 C CA . GLY D 239 ? 0.4125 0.6924 0.6223 -0.0211 -0.0718 -0.1190 238 GLY D CA 6336 C C . GLY D 239 ? 0.4377 0.7525 0.7115 -0.0283 -0.0895 -0.1447 238 GLY D C 6337 O O . GLY D 239 ? 0.4493 0.7745 0.7276 -0.0192 -0.1145 -0.1688 238 GLY D O 6338 N N . ARG D 240 ? 0.4542 0.7912 0.7806 -0.0439 -0.0762 -0.1415 239 ARG D N 6339 C CA . ARG D 240 ? 0.4822 0.8541 0.8881 -0.0565 -0.0889 -0.1638 239 ARG D CA 6340 C C . ARG D 240 ? 0.4829 0.8919 0.9309 -0.0587 -0.0749 -0.1585 239 ARG D C 6341 O O . ARG D 240 ? 0.4749 0.8775 0.9077 -0.0647 -0.0464 -0.1345 239 ARG D O 6342 C CB . ARG D 240 ? 0.4862 0.8394 0.9367 -0.0855 -0.0797 -0.1592 239 ARG D CB 6343 C CG . ARG D 240 ? 0.5281 0.8458 0.9380 -0.0967 -0.0499 -0.1234 239 ARG D CG 6344 C CD . ARG D 240 ? 0.6107 0.9216 1.0784 -0.1249 -0.0334 -0.1069 239 ARG D CD 6345 N NE . ARG D 240 ? 0.6593 0.9335 1.1263 -0.1318 -0.0434 -0.1108 239 ARG D NE 6346 C CZ . ARG D 240 ? 0.6903 0.9579 1.2321 -0.1533 -0.0431 -0.1113 239 ARG D CZ 6347 N NH1 . ARG D 240 ? 0.6607 0.9577 1.2841 -0.1712 -0.0322 -0.1053 239 ARG D NH1 6348 N NH2 . ARG D 240 ? 0.7098 0.9419 1.2523 -0.1567 -0.0527 -0.1172 239 ARG D NH2 6349 N N . ALA D 241 ? 0.5018 0.9538 1.0034 -0.0522 -0.0958 -0.1837 240 ALA D N 6350 C CA . ALA D 241 ? 0.5072 1.0019 1.0603 -0.0529 -0.0847 -0.1827 240 ALA D CA 6351 C C . ALA D 241 ? 0.5115 1.0225 1.1443 -0.0851 -0.0636 -0.1747 240 ALA D C 6352 O O . ALA D 241 ? 0.5148 0.9969 1.1377 -0.1043 -0.0398 -0.1501 240 ALA D O 6353 C CB . ALA D 241 ? 0.5097 1.0492 1.0917 -0.0308 -0.1177 -0.2122 240 ALA D CB 6354 C C1 . NAG E . ? 0.7344 0.5115 0.9370 0.1541 -0.1171 -0.0609 500 NAG A C1 6355 C C2 . NAG E . ? 0.8732 0.6054 1.0884 0.1746 -0.1475 -0.0620 500 NAG A C2 6356 C C3 . NAG E . ? 0.8737 0.6038 1.1016 0.1850 -0.1732 -0.0496 500 NAG A C3 6357 C C4 . NAG E . ? 0.8269 0.6196 1.0939 0.1919 -0.1608 -0.0615 500 NAG A C4 6358 C C5 . NAG E . ? 0.7636 0.5877 1.0055 0.1671 -0.1334 -0.0540 500 NAG A C5 6359 C C6 . NAG E . ? 0.7106 0.5922 0.9832 0.1687 -0.1214 -0.0620 500 NAG A C6 6360 C C7 . NAG E . ? 1.0050 0.6590 1.1758 0.1638 -0.1503 -0.0633 500 NAG A C7 6361 C C8 . NAG E . ? 1.0652 0.6547 1.1942 0.1510 -0.1656 -0.0481 500 NAG A C8 6362 N N2 . NAG E . ? 0.9443 0.6165 1.1212 0.1652 -0.1598 -0.0501 500 NAG A N2 6363 O O3 . NAG E . ? 0.9506 0.6453 1.1997 0.2085 -0.2013 -0.0553 500 NAG A O3 6364 O O4 . NAG E . ? 0.8553 0.6460 1.1358 0.2019 -0.1867 -0.0512 500 NAG A O4 6365 O O5 . NAG E . ? 0.7180 0.5435 0.9470 0.1578 -0.1107 -0.0641 500 NAG A O5 6366 O O6 . NAG E . ? 0.6801 0.5980 0.9982 0.1842 -0.1092 -0.0892 500 NAG A O6 6367 O O7 . NAG E . ? 0.9889 0.6752 1.1837 0.1704 -0.1297 -0.0868 500 NAG A O7 6368 C C1 . NAG F . ? 0.5319 0.3754 0.5115 0.0127 -0.0898 0.0668 501 NAG A C1 6369 C C2 . NAG F . ? 0.5836 0.3947 0.5658 0.0223 -0.1119 0.0710 501 NAG A C2 6370 C C3 . NAG F . ? 0.6174 0.3957 0.5740 0.0122 -0.1115 0.0773 501 NAG A C3 6371 C C4 . NAG F . ? 0.6606 0.4257 0.5732 -0.0112 -0.1066 0.0900 501 NAG A C4 6372 C C5 . NAG F . ? 0.6235 0.4279 0.5422 -0.0169 -0.0828 0.0822 501 NAG A C5 6373 C C6 . NAG F . ? 0.6188 0.4196 0.5007 -0.0393 -0.0722 0.0894 501 NAG A C6 6374 C C7 . NAG F . ? 0.5686 0.4007 0.6187 0.0573 -0.1318 0.0545 501 NAG A C7 6375 C C8 . NAG F . ? 0.5358 0.3904 0.6319 0.0766 -0.1283 0.0367 501 NAG A C8 6376 N N2 . NAG F . ? 0.5545 0.3825 0.5793 0.0423 -0.1138 0.0573 501 NAG A N2 6377 O O3 . NAG F . ? 0.6687 0.4115 0.6257 0.0217 -0.1353 0.0822 501 NAG A O3 6378 O O4 . NAG F . ? 0.7360 0.4689 0.6211 -0.0247 -0.1079 0.0976 501 NAG A O4 6379 O O5 . NAG F . ? 0.5659 0.3949 0.5062 -0.0065 -0.0850 0.0769 501 NAG A O5 6380 O O6 . NAG F . ? 0.6857 0.4686 0.5407 -0.0471 -0.0868 0.1001 501 NAG A O6 6381 O O7 . NAG F . ? 0.6119 0.4328 0.6508 0.0558 -0.1504 0.0645 501 NAG A O7 6382 C C1 . NAG G . ? 0.3847 0.3987 0.5639 0.1253 -0.0906 -0.0097 511 NAG A C1 6383 C C2 . NAG G . ? 0.3864 0.4349 0.6054 0.1394 -0.0999 -0.0203 511 NAG A C2 6384 C C3 . NAG G . ? 0.4035 0.4516 0.6133 0.1326 -0.1171 -0.0056 511 NAG A C3 6385 C C4 . NAG G . ? 0.4777 0.4768 0.6550 0.1307 -0.1397 0.0132 511 NAG A C4 6386 C C5 . NAG G . ? 0.5055 0.4743 0.6454 0.1159 -0.1260 0.0212 511 NAG A C5 6387 C C6 . NAG G . ? 0.5932 0.5127 0.6965 0.1091 -0.1454 0.0401 511 NAG A C6 6388 C C7 . NAG G . ? 0.3525 0.4649 0.6195 0.1464 -0.0655 -0.0551 511 NAG A C7 6389 C C8 . NAG G . ? 0.2683 0.4279 0.5549 0.1385 -0.0430 -0.0694 511 NAG A C8 6390 N N2 . NAG G . ? 0.3540 0.4476 0.5964 0.1361 -0.0783 -0.0356 511 NAG A N2 6391 O O3 . NAG G . ? 0.3280 0.4097 0.5770 0.1454 -0.1280 -0.0152 511 NAG A O3 6392 O O4 . NAG G . ? 0.5274 0.5286 0.6883 0.1188 -0.1503 0.0264 511 NAG A O4 6393 O O5 . NAG G . ? 0.4561 0.4279 0.6084 0.1229 -0.1104 0.0069 511 NAG A O5 6394 O O6 . NAG G . ? 0.6746 0.5707 0.7521 0.0976 -0.1323 0.0436 511 NAG A O6 6395 O O7 . NAG G . ? 0.3840 0.4745 0.6552 0.1604 -0.0714 -0.0617 511 NAG A O7 6396 C C1 . NAG H . ? 0.6263 0.6242 0.8014 0.1312 -0.1797 0.0308 512 NAG A C1 6397 C C2 . NAG H . ? 0.6768 0.6527 0.8102 0.1123 -0.1923 0.0512 512 NAG A C2 6398 C C3 . NAG H . ? 0.7345 0.7107 0.8780 0.1209 -0.2243 0.0579 512 NAG A C3 6399 C C4 . NAG H . ? 0.7337 0.7631 0.9306 0.1345 -0.2234 0.0402 512 NAG A C4 6400 C C5 . NAG H . ? 0.7238 0.7695 0.9611 0.1546 -0.2111 0.0202 512 NAG A C5 6401 C C6 . NAG H . ? 0.7165 0.8179 1.0118 0.1693 -0.2093 -0.0001 512 NAG A C6 6402 C C7 . NAG H . ? 0.6443 0.5606 0.6931 0.0773 -0.1833 0.0773 512 NAG A C7 6403 C C8 . NAG H . ? 0.6812 0.5520 0.6908 0.0662 -0.1861 0.0906 512 NAG A C8 6404 N N2 . NAG H . ? 0.6811 0.6094 0.7709 0.1011 -0.1946 0.0660 512 NAG A N2 6405 O O3 . NAG H . ? 0.7608 0.7251 0.8634 0.0989 -0.2288 0.0736 512 NAG A O3 6406 O O4 . NAG H . ? 0.7720 0.8053 0.9825 0.1433 -0.2551 0.0455 512 NAG A O4 6407 O O5 . NAG H . ? 0.6538 0.6989 0.8733 0.1417 -0.1797 0.0162 512 NAG A O5 6408 O O6 . NAG H . ? 0.7067 0.8410 1.0080 0.1571 -0.1756 -0.0122 512 NAG A O6 6409 O O7 . NAG H . ? 0.6050 0.5452 0.6478 0.0641 -0.1709 0.0764 512 NAG A O7 6410 C C1 . FUC I . ? 0.6824 0.5724 0.7247 0.0736 -0.1214 0.0560 513 FUC A C1 6411 C C2 . FUC I . ? 0.7079 0.5641 0.7234 0.0633 -0.1176 0.0623 513 FUC A C2 6412 C C3 . FUC I . ? 0.6922 0.5610 0.7249 0.0693 -0.0995 0.0473 513 FUC A C3 6413 C C4 . FUC I . ? 0.6388 0.5467 0.6805 0.0621 -0.0772 0.0402 513 FUC A C4 6414 C C5 . FUC I . ? 0.6279 0.5655 0.6920 0.0699 -0.0808 0.0357 513 FUC A C5 6415 C C6 . FUC I . ? 0.5740 0.5463 0.6456 0.0620 -0.0610 0.0294 513 FUC A C6 6416 O O2 . FUC I . ? 0.7825 0.5974 0.7855 0.0686 -0.1411 0.0714 513 FUC A O2 6417 O O3 . FUC I . ? 0.6732 0.5120 0.6859 0.0614 -0.0978 0.0509 513 FUC A O3 6418 O O4 . FUC I . ? 0.6563 0.5617 0.6720 0.0424 -0.0682 0.0500 513 FUC A O4 6419 O O5 . FUC I . ? 0.6570 0.5815 0.7063 0.0655 -0.0985 0.0487 513 FUC A O5 6420 C C1 . QUV J . ? 0.2173 0.3047 0.2437 -0.0627 0.0693 0.0056 286 QUV A C1 6421 C C2 . QUV J . ? 0.2151 0.2919 0.2463 -0.0473 0.0612 0.0079 286 QUV A C2 6422 N N2 . QUV J . ? 0.2036 0.2971 0.2517 -0.0355 0.0611 0.0022 286 QUV A N2 6423 C C3 . QUV J . ? 0.2594 0.3302 0.2924 -0.0475 0.0553 0.0098 286 QUV A C3 6424 O O3 . QUV J . ? 0.3353 0.3849 0.3524 -0.0564 0.0541 0.0143 286 QUV A O3 6425 C C4 . QUV J . ? 0.2823 0.3450 0.3176 -0.0355 0.0494 0.0113 286 QUV A C4 6426 O O4 . QUV J . ? 0.2921 0.3501 0.3258 -0.0380 0.0455 0.0113 286 QUV A O4 6427 C C5 . QUV J . ? 0.2764 0.3208 0.3019 -0.0306 0.0482 0.0150 286 QUV A C5 6428 C C6 . QUV J . ? 0.3004 0.3383 0.3276 -0.0227 0.0442 0.0157 286 QUV A C6 6429 C C7 . QUV J . ? 0.3347 0.3816 0.3692 -0.0156 0.0425 0.0151 286 QUV A C7 6430 C C8 . QUV J . ? 0.3315 0.3706 0.3631 -0.0116 0.0402 0.0168 286 QUV A C8 6431 C C9 . QUV J . ? 0.3665 0.4058 0.3949 -0.0146 0.0389 0.0158 286 QUV A C9 6432 C C10 . QUV J . ? 0.3613 0.3963 0.3853 -0.0138 0.0393 0.0163 286 QUV A C10 6433 C C11 . QUV J . ? 0.3970 0.4327 0.4135 -0.0189 0.0393 0.0142 286 QUV A C11 6434 C C12 . QUV J . ? 0.3911 0.4225 0.4071 -0.0202 0.0441 0.0080 286 QUV A C12 6435 C C13 . QUV J . ? 0.4124 0.4445 0.4187 -0.0261 0.0462 0.0031 286 QUV A C13 6436 C C14 . QUV J . ? 0.4196 0.4452 0.4287 -0.0252 0.0500 -0.0054 286 QUV A C14 6437 C C15 . QUV J . ? 0.4078 0.4352 0.4101 -0.0290 0.0562 -0.0149 286 QUV A C15 6438 C C16 . QUV J . ? 0.4186 0.4363 0.4183 -0.0303 0.0568 -0.0239 286 QUV A C16 6439 C C17 . QUV J . ? 0.3959 0.4048 0.4084 -0.0218 0.0584 -0.0315 286 QUV A C17 6440 C C18 . QUV J . ? 0.4281 0.4244 0.4362 -0.0231 0.0595 -0.0431 286 QUV A C18 6441 C C1A . QUV J . ? 0.2301 0.3614 0.2773 -0.0804 0.0796 -0.0048 286 QUV A C1A 6442 O O1A . QUV J . ? 0.2244 0.3377 0.2702 -0.0649 0.0710 -0.0006 286 QUV A O1A 6443 C C2A . QUV J . ? 0.2523 0.4134 0.3254 -0.0808 0.0783 -0.0117 286 QUV A C2A 6444 O O2A . QUV J . ? 0.2156 0.3613 0.2842 -0.0808 0.0688 -0.0064 286 QUV A O2A 6445 C C3A . QUV J . ? 0.1913 0.3776 0.2921 -0.0632 0.0765 -0.0205 286 QUV A C3A 6446 O O3A . QUV J . ? 0.1758 0.3926 0.3020 -0.0650 0.0744 -0.0273 286 QUV A O3A 6447 C C4A . QUV J . ? 0.2332 0.4338 0.3372 -0.0630 0.0880 -0.0287 286 QUV A C4A 6448 O O4A . QUV J . ? 0.2049 0.4318 0.3145 -0.0808 0.0998 -0.0357 286 QUV A O4A 6449 C C5M . QUV J . ? 0.2770 0.4453 0.3510 -0.0646 0.0894 -0.0209 286 QUV A C5M 6450 C C6A . QUV J . ? 0.3207 0.5001 0.3895 -0.0693 0.1018 -0.0288 286 QUV A C6A 6451 O O6A . QUV J . ? 0.2628 0.4088 0.3116 -0.0809 0.0892 -0.0113 286 QUV A O6A 6452 C CAA . QUV J . ? 0.2490 0.3405 0.2946 -0.0302 0.0636 0.0001 286 QUV A CAA 6453 O OAA . QUV J . ? 0.2725 0.3507 0.3016 -0.0352 0.0659 0.0031 286 QUV A OAA 6454 C CAB . QUV J . ? 0.2618 0.3662 0.3253 -0.0172 0.0617 -0.0064 286 QUV A CAB 6455 C CAC . QUV J . ? 0.2427 0.3305 0.2998 -0.0084 0.0578 -0.0043 286 QUV A CAC 6456 C CAD . QUV J . ? 0.2620 0.3341 0.3144 -0.0049 0.0496 0.0033 286 QUV A CAD 6457 C CAE . QUV J . ? 0.2998 0.3565 0.3437 -0.0008 0.0476 0.0054 286 QUV A CAE 6458 C CAF . QUV J . ? 0.3762 0.4222 0.4184 0.0022 0.0411 0.0109 286 QUV A CAF 6459 C CAG . QUV J . ? 0.4225 0.4566 0.4598 0.0055 0.0388 0.0114 286 QUV A CAG 6460 C CAH . QUV J . ? 0.4292 0.4551 0.4592 0.0013 0.0381 0.0161 286 QUV A CAH 6461 C CAI . QUV J . ? 0.4572 0.4736 0.4834 0.0019 0.0354 0.0168 286 QUV A CAI 6462 C CAJ . QUV J . ? 0.4413 0.4548 0.4617 -0.0011 0.0359 0.0168 286 QUV A CAJ 6463 C CAK . QUV J . ? 0.4441 0.4529 0.4644 -0.0030 0.0321 0.0189 286 QUV A CAK 6464 C CAL . QUV J . ? 0.4464 0.4523 0.4610 -0.0053 0.0295 0.0194 286 QUV A CAL 6465 C CAM . QUV J . ? 0.4732 0.4726 0.4801 -0.0071 0.0269 0.0171 286 QUV A CAM 6466 C CAN . QUV J . ? 0.4763 0.4717 0.4693 -0.0106 0.0268 0.0163 286 QUV A CAN 6467 C CAO . QUV J . ? 0.4685 0.4568 0.4505 -0.0133 0.0249 0.0120 286 QUV A CAO 6468 C CAP . QUV J . ? 0.4740 0.4627 0.4540 -0.0105 0.0321 0.0039 286 QUV A CAP 6469 C CAQ . QUV J . ? 0.4848 0.4653 0.4496 -0.0143 0.0318 -0.0026 286 QUV A CAQ 6470 C CAR . QUV J . ? 0.4903 0.4633 0.4589 -0.0094 0.0322 -0.0104 286 QUV A CAR 6471 C CAS . QUV J . ? 0.5176 0.4958 0.4889 -0.0036 0.0410 -0.0217 286 QUV A CAS 6472 C CAT . QUV J . ? 0.5212 0.4940 0.5078 0.0063 0.0383 -0.0242 286 QUV A CAT 6473 C CAU . QUV J . ? 0.5365 0.5222 0.5372 0.0152 0.0446 -0.0326 286 QUV A CAU 6474 C CAV . QUV J . ? 0.5491 0.5290 0.5651 0.0245 0.0372 -0.0289 286 QUV A CAV 6475 C CAW . QUV J . ? 0.5520 0.5430 0.5742 0.0219 0.0362 -0.0178 286 QUV A CAW 6476 C CAX . QUV J . ? 0.5856 0.5674 0.6152 0.0270 0.0274 -0.0115 286 QUV A CAX 6477 C CAY . QUV J . ? 0.5942 0.5808 0.6219 0.0203 0.0261 0.0000 286 QUV A CAY 6478 C CAZ . QUV J . ? 0.6029 0.6074 0.6407 0.0223 0.0290 0.0002 286 QUV A CAZ 6479 N NAZ . QUV J . ? 0.3841 0.5382 0.4355 -0.0607 0.0986 -0.0247 286 QUV A NAZ 6480 C CCI . QUV J . ? 0.4032 0.5605 0.4684 -0.0435 0.0959 -0.0311 286 QUV A CCI 6481 N NCJ . QUV J . ? 0.4051 0.5392 0.4526 -0.0391 0.0929 -0.0269 286 QUV A NCJ 6482 O OCK . QUV J . ? 0.4120 0.5911 0.5052 -0.0320 0.0944 -0.0400 286 QUV A OCK 6483 C CCL . QUV J . ? 0.4005 0.5087 0.4433 -0.0186 0.0840 -0.0280 286 QUV A CCL 6484 C CCM . QUV J . ? 0.4031 0.4891 0.4303 -0.0223 0.0762 -0.0148 286 QUV A CCM 6485 C CCN . QUV J . ? 0.4223 0.4889 0.4420 -0.0158 0.0688 -0.0102 286 QUV A CCN 6486 C CCO . QUV J . ? 0.4216 0.4867 0.4458 -0.0071 0.0686 -0.0178 286 QUV A CCO 6487 C CCP . QUV J . ? 0.3623 0.4448 0.4005 -0.0020 0.0754 -0.0309 286 QUV A CCP 6488 C CCQ . QUV J . ? 0.4004 0.5067 0.4497 -0.0071 0.0835 -0.0367 286 QUV A CCQ 6489 C CCR . QUV J . ? 0.4284 0.5573 0.4970 -0.0007 0.0910 -0.0528 286 QUV A CCR 6490 C CCS . QUV J . ? 0.4532 0.6121 0.5372 -0.0069 0.1001 -0.0604 286 QUV A CCS 6491 C CCT . QUV J . ? 0.4406 0.6015 0.5164 -0.0209 0.1007 -0.0504 286 QUV A CCT 6492 C CCU . QUV J . ? 0.4177 0.5513 0.4727 -0.0260 0.0919 -0.0341 286 QUV A CCU 6493 O O . HOH K . ? 0.3241 0.2870 0.3161 -0.0080 -0.0192 0.0409 287 HOH A O 6494 O O . HOH K . ? 0.5001 0.5118 0.5022 -0.0751 0.0403 0.0340 288 HOH A O 6495 O O . HOH K . ? 0.2896 0.2363 0.2575 -0.0868 0.0346 0.0204 289 HOH A O 6496 O O . HOH K . ? 0.3764 0.2278 0.2950 -0.0599 -0.0060 0.0575 290 HOH A O 6497 O O . HOH K . ? 0.4127 0.4968 0.4023 -0.0621 0.0879 -0.0052 291 HOH A O 6498 O O . HOH K . ? 0.4450 0.6774 0.6393 -0.0342 -0.1069 0.3139 292 HOH A O 6499 O O . HOH K . ? 0.6203 0.4512 0.5425 -0.2241 -0.0358 0.0294 293 HOH A O 6500 O O . HOH K . ? 0.8466 0.4919 0.6300 -0.0704 -0.0353 -0.1486 294 HOH A O 6501 O O . HOH K . ? 0.5243 0.3988 0.3175 -0.0639 0.0274 -0.0965 295 HOH A O 6502 O O . HOH K . ? 0.4463 0.2913 0.4443 0.0283 -0.1365 0.0748 296 HOH A O 6503 O O . HOH K . ? 0.3665 0.2737 0.3378 -0.0790 -0.0010 0.0318 297 HOH A O 6504 O O . HOH K . ? 0.2778 0.5018 0.5488 0.0928 0.0140 -0.0795 298 HOH A O 6505 O O . HOH K . ? 0.3582 0.1781 0.3687 0.0017 0.0010 -0.0363 299 HOH A O 6506 O O . HOH K . ? 0.5001 0.3934 0.4783 -0.0051 -0.0341 0.0520 300 HOH A O 6507 O O . HOH K . ? 0.2724 0.3833 0.3650 -0.0196 0.0840 -0.0381 301 HOH A O 6508 O O . HOH K . ? 0.5574 0.3152 0.6801 0.1009 -0.0424 -0.0983 302 HOH A O 6509 O O . HOH K . ? 0.7157 0.5585 0.8583 0.1651 -0.0681 -0.0829 303 HOH A O 6510 O O . HOH K . ? 0.3678 0.3034 0.3307 -0.0120 -0.0282 0.0624 304 HOH A O 6511 O O . HOH K . ? 0.5093 0.4502 0.4378 -0.0338 -0.0692 0.0497 305 HOH A O 6512 O O . HOH K . ? 0.7928 0.7542 0.4027 -0.2290 0.0383 0.0484 306 HOH A O 6513 O O . HOH K . ? 0.4885 0.3778 0.4531 0.0402 0.0459 -0.1241 307 HOH A O 6514 O O . HOH K . ? 0.3965 0.4867 0.5093 -0.0523 -0.0660 0.0068 308 HOH A O 6515 O O . HOH K . ? 0.3449 0.4052 0.3376 -0.0618 0.0722 0.0102 309 HOH A O 6516 O O . HOH K . ? 0.5447 0.3958 0.7634 -0.0032 -0.0116 0.0903 310 HOH A O 6517 O O . HOH K . ? 0.5290 0.5426 0.3017 -0.1497 -0.0066 -0.0240 311 HOH A O 6518 O O . HOH K . ? 0.5629 0.3512 0.4714 -0.1094 -0.0285 0.0476 312 HOH A O 6519 O O . HOH K . ? 0.4927 0.5021 0.3715 -0.0758 -0.0377 0.0486 313 HOH A O 6520 O O . HOH K . ? 0.5010 0.4162 0.3797 -0.0672 0.0076 0.0585 314 HOH A O 6521 O O . HOH K . ? 0.5783 0.3553 0.5124 -0.0668 0.0172 -0.0879 315 HOH A O 6522 O O . HOH K . ? 0.7712 0.6889 0.4652 -0.1527 0.0449 0.0350 316 HOH A O 6523 O O . HOH K . ? 0.4500 0.5651 0.6801 0.0610 0.0401 -0.0795 317 HOH A O 6524 O O . HOH K . ? 0.3112 0.4059 0.3669 -0.0436 0.0410 0.0049 318 HOH A O 6525 O O . HOH K . ? 0.7772 0.7542 0.5155 -0.1549 0.0888 0.0106 319 HOH A O 6526 O O . HOH K . ? 0.5595 0.4503 0.3846 -0.1045 -0.0201 0.0973 320 HOH A O 6527 O O . HOH K . ? 0.6983 0.6846 0.4683 -0.1231 0.0854 -0.0098 321 HOH A O 6528 O O . HOH K . ? 0.2913 0.4967 1.4046 -0.0906 -0.2633 0.2275 322 HOH A O 6529 O O . HOH K . ? 0.5928 0.4759 0.4988 -0.0403 -0.0430 0.0851 323 HOH A O 6530 O O . HOH K . ? 0.4536 0.5577 0.3897 -0.1372 0.1176 -0.0068 324 HOH A O 6531 O O . HOH K . ? 0.6136 0.5027 0.4327 -0.0880 -0.0051 0.0686 325 HOH A O 6532 O O . HOH K . ? 0.7164 0.5405 0.5141 -0.0816 -0.0584 0.0959 326 HOH A O 6533 O O . HOH K . ? 0.6112 0.6636 0.5250 -0.0848 -0.0326 0.0168 327 HOH A O 6534 O O . HOH K . ? 0.7104 0.3749 0.5571 -0.2087 -0.0787 -0.0054 328 HOH A O 6535 O O . HOH K . ? 0.5548 0.3424 0.6241 0.0551 0.0020 -0.1119 329 HOH A O 6536 O O . HOH K . ? 0.5300 0.5497 0.6794 -0.0045 -0.1413 -0.0052 330 HOH A O 6537 O O . HOH K . ? 0.6098 0.5792 0.3745 -0.1725 0.0483 0.0639 331 HOH A O 6538 O O . HOH K . ? 0.4694 0.3933 0.4907 0.0089 -0.0147 0.0313 332 HOH A O 6539 O O . HOH K . ? 0.3953 0.3196 0.6246 -0.0233 -0.0632 0.0672 333 HOH A O 6540 O O . HOH K . ? 0.4985 0.5488 0.5647 -0.0857 -0.0499 0.0033 334 HOH A O 6541 O O . HOH K . ? 0.5898 0.4862 0.3361 -0.0824 0.0474 -0.1025 335 HOH A O 6542 O O . HOH K . ? 0.4878 0.5282 0.2913 -0.1339 0.1134 -0.1034 336 HOH A O 6543 O O . HOH K . ? 0.5076 0.3730 0.6943 -0.0088 -0.2501 0.0562 337 HOH A O 6544 O O . HOH K . ? 0.4722 0.6349 0.4662 -0.1355 0.1405 -0.0345 338 HOH A O 6545 O O . HOH K . ? 0.6963 0.7316 0.7547 -0.1518 -0.0304 0.0026 339 HOH A O 6546 O O . HOH K . ? 0.4635 0.6922 0.5775 -0.0930 0.1410 -0.0679 340 HOH A O 6547 O O . HOH K . ? 0.9516 0.6780 0.7557 -0.0985 -0.0444 -0.1005 341 HOH A O 6548 O O . HOH K . ? 0.4179 0.4596 0.5562 0.0358 -0.0147 0.0000 342 HOH A O 6549 O O . HOH K . ? 0.4831 0.3197 0.3978 -0.0449 -0.0272 0.0666 343 HOH A O 6550 O O . HOH K . ? 0.4675 0.5941 0.6477 -0.0524 -0.1570 0.0088 344 HOH A O 6551 O O . HOH K . ? 0.4914 0.3021 0.4182 -0.0512 -0.0190 0.0511 345 HOH A O 6552 O O . HOH K . ? 0.7495 0.6207 0.5493 -0.0739 -0.1072 0.0751 346 HOH A O 6553 O O . HOH K . ? 0.6271 0.6431 0.4427 -0.1182 0.0288 0.0034 347 HOH A O 6554 O O . HOH K . ? 0.6067 0.4672 0.8951 0.1867 -0.1982 -0.0262 348 HOH A O 6555 O O . HOH K . ? 0.4279 0.5812 0.4929 -0.0597 -0.0404 0.0045 349 HOH A O 6556 O O . HOH K . ? 0.4832 0.4489 0.3988 -0.1035 0.0515 0.0426 350 HOH A O 6557 O O . HOH K . ? 0.3964 0.4725 0.5666 0.0393 0.0082 -0.0223 351 HOH A O 6558 O O . HOH K . ? 0.4197 0.5405 0.5390 -0.0369 -0.1127 -0.0501 352 HOH A O 6559 O O . HOH K . ? 0.5118 0.7346 0.6843 0.0233 0.0916 -0.0844 353 HOH A O 6560 O O . HOH K . ? 0.4942 0.3660 0.4179 -0.0383 -0.0217 0.0637 354 HOH A O 6561 O O . HOH K . ? 0.5814 0.4495 0.4560 -0.0593 -0.0242 0.0742 355 HOH A O 6562 O O . HOH K . ? 0.8636 0.7168 0.7785 -0.1385 -0.0054 0.0611 356 HOH A O 6563 O O . HOH K . ? 0.7261 0.5300 0.6481 -0.1181 -0.0356 0.0099 357 HOH A O 6564 O O . HOH K . ? 0.5607 0.4111 0.6175 0.0391 -0.0259 -0.0105 358 HOH A O 6565 O O . HOH K . ? 0.4518 0.5796 0.5327 -0.0198 -0.0773 -0.1003 359 HOH A O 6566 O O . HOH K . ? 0.5748 0.4007 0.6123 0.0807 -0.0747 0.0122 360 HOH A O 6567 O O . HOH K . ? 0.4413 0.4250 0.4437 -0.0081 0.0045 0.0320 361 HOH A O 6568 O O . HOH K . ? 0.5300 0.2968 0.5208 -0.0011 -0.0257 -0.0096 362 HOH A O 6569 O O . HOH K . ? 0.5578 0.3465 0.6074 0.0152 -0.1932 0.0315 363 HOH A O 6570 O O . HOH K . ? 0.4956 0.6917 0.5493 -0.0353 -0.1421 0.0448 364 HOH A O 6571 O O . HOH K . ? 0.3863 0.3334 0.4369 -0.0278 0.0682 0.0035 365 HOH A O 6572 O O . HOH K . ? 0.7781 0.5828 0.5054 -0.0994 -0.1006 0.1061 366 HOH A O 6573 O O . HOH K . ? 0.5811 0.7562 0.9808 -0.0338 -0.1643 0.4078 367 HOH A O 6574 O O . HOH K . ? 0.4553 0.6366 0.6350 -0.0134 -0.0251 0.0982 368 HOH A O 6575 O O . HOH K . ? 0.7207 0.6281 0.5212 -0.0996 -0.0472 0.0987 369 HOH A O 6576 O O . HOH K . ? 0.5890 0.6408 0.4285 -0.1418 0.0954 0.0002 370 HOH A O 6577 O O . HOH K . ? 0.5801 0.6587 0.5541 -0.0590 -0.0488 0.0258 371 HOH A O 6578 O O . HOH L . ? 0.4119 0.3056 0.7499 0.0913 -0.1029 -0.2118 100 HOH B O 6579 O O . HOH L . ? 0.3267 0.6261 0.5269 -0.0823 -0.0266 0.1356 101 HOH B O 6580 O O . HOH L . ? 0.5068 0.3256 0.8093 -0.0056 -0.0907 -0.0875 102 HOH B O 6581 O O . HOH L . ? 0.3759 0.4800 1.0616 0.2952 -0.2939 -0.1805 103 HOH B O 6582 O O . HOH L . ? 0.5749 0.5185 0.7324 -0.0305 -0.1887 0.1029 104 HOH B O 6583 O O . HOH L . ? 0.6802 0.7041 0.5887 -0.1355 0.0721 0.0407 105 HOH B O 6584 O O . HOH L . ? 0.3109 0.4489 0.3769 -0.0444 -0.0143 0.0920 106 HOH B O 6585 O O . HOH L . ? 0.6124 0.8064 0.8124 0.0090 0.1131 -0.1140 107 HOH B O 6586 O O . HOH L . ? 0.3170 0.3744 0.3405 -0.0325 -0.0317 0.0576 108 HOH B O 6587 O O . HOH L . ? 0.4145 0.4217 0.5690 0.1316 -0.2133 0.0275 109 HOH B O 6588 O O . HOH L . ? 0.5176 0.3430 0.6728 0.0836 -0.1417 0.1086 110 HOH B O 6589 O O . HOH L . ? 0.5210 0.5267 0.5302 0.0611 -0.0433 0.0019 112 HOH B O 6590 O O . HOH L . ? 0.3614 0.3442 0.7650 0.0720 -0.3189 -0.0515 121 HOH B O 6591 O O . HOH L . ? 0.3926 0.2454 0.5364 0.0314 -0.1053 0.1075 122 HOH B O 6592 O O . HOH L . ? 0.5344 0.6615 1.2381 -0.0479 -0.3754 0.0565 145 HOH B O 6593 O O . HOH L . ? 0.2772 0.5791 0.6590 0.0500 -0.0717 -0.0050 160 HOH B O 6594 O O . HOH L . ? 0.4679 0.9792 1.0946 0.0975 -0.1260 -0.0871 162 HOH B O 6595 O O . HOH L . ? 0.3866 0.4231 0.4141 -0.0850 0.0417 0.0260 165 HOH B O 6596 O O . HOH L . ? 0.4592 0.5911 0.9111 0.2037 -0.1063 -0.3901 178 HOH B O 6597 O O . HOH L . ? 0.5778 0.3876 0.7211 0.0269 -0.0779 0.0909 202 HOH B O 6598 O O . HOH L . ? 0.5529 0.6120 0.8839 0.1790 -0.3991 -0.2484 204 HOH B O 6599 O O . HOH L . ? 0.3268 0.6382 0.5969 -0.0771 -0.0456 0.1309 213 HOH B O 6600 O O . HOH L . ? 0.4492 0.5199 0.5713 0.0013 -0.0252 0.0106 265 HOH B O 6601 O O . HOH L . ? 0.5817 0.5911 0.5787 -0.0249 0.0085 0.1090 272 HOH B O 6602 O O . HOH L . ? 0.4448 0.9513 0.5441 -0.0415 0.0560 -0.0018 310 HOH B O 6603 O O . HOH L . ? 0.4960 0.4591 0.8923 0.1206 -0.3695 -0.1534 311 HOH B O 6604 O O . HOH L . ? 0.2066 0.8374 0.5151 0.0091 0.0469 -0.0675 315 HOH B O 6605 O O . HOH L . ? 0.6290 0.6381 0.6551 -0.0333 0.0206 0.0868 318 HOH B O 6606 O O . HOH M . ? 0.4900 0.7166 0.3736 -0.1170 -0.0150 -0.0101 102 HOH C O 6607 O O . HOH M . ? 0.2928 0.3117 0.2421 -0.0184 0.0525 -0.0191 211 HOH C O 6608 O O . HOH M . ? 0.3520 0.2813 0.3897 0.0071 0.1026 -0.0160 212 HOH C O 6609 O O . HOH M . ? 0.5017 0.6815 0.4968 -0.1020 0.1472 0.0148 213 HOH C O 6610 O O . HOH M . ? 0.3326 0.6168 0.4361 -0.0404 -0.0205 0.0632 214 HOH C O 6611 O O . HOH M . ? 0.3282 0.3649 0.2689 -0.0132 0.0370 -0.0073 215 HOH C O 6612 O O . HOH M . ? 0.2836 0.3857 0.4459 0.0317 0.0707 0.0070 216 HOH C O 6613 O O . HOH M . ? 0.3953 0.4252 0.3045 -0.0331 0.0382 -0.0251 217 HOH C O 6614 O O . HOH M . ? 0.5410 0.7156 0.7876 0.0831 0.0608 0.2166 218 HOH C O 6615 O O . HOH M . ? 0.5572 0.7008 0.5003 -0.0440 -0.0111 0.0341 219 HOH C O 6616 O O . HOH M . ? 0.3579 0.3433 0.3586 -0.0385 0.0992 -0.1190 220 HOH C O 6617 O O . HOH M . ? 0.5647 0.4940 0.6027 -0.0678 0.1180 -0.0248 221 HOH C O 6618 O O . HOH M . ? 0.4325 0.5693 0.5081 0.0119 -0.0023 0.0927 222 HOH C O 6619 O O . HOH M . ? 0.1901 0.4717 0.3775 -0.0738 0.0371 -0.0341 223 HOH C O 6620 O O . HOH M . ? 0.5516 0.3958 0.7517 -0.0153 0.1486 -0.0229 224 HOH C O 6621 O O . HOH M . ? 0.4785 0.4786 0.4830 -0.0099 0.0374 0.0466 225 HOH C O 6622 O O . HOH M . ? 0.5094 0.8540 0.4999 -0.0891 -0.0553 0.0854 226 HOH C O 6623 O O . HOH M . ? 0.1203 0.4174 0.3175 -0.0662 0.0600 -0.0441 227 HOH C O 6624 O O . HOH M . ? 0.6531 0.5411 0.5847 -0.1315 0.0251 0.0204 228 HOH C O 6625 O O . HOH M . ? 0.3643 0.3512 0.4393 0.0241 0.1202 -0.0201 229 HOH C O 6626 O O . HOH M . ? 0.3972 0.4509 0.4177 0.0121 0.0500 0.0977 230 HOH C O 6627 O O . HOH M . ? 0.5251 0.8324 0.6563 0.0191 -0.0091 0.1798 231 HOH C O 6628 O O . HOH M . ? 0.5363 0.7569 0.6513 -0.0733 0.1475 -0.0338 232 HOH C O 6629 O O . HOH M . ? 0.5353 0.3570 0.7720 -0.0118 0.1796 -0.0551 233 HOH C O 6630 O O . HOH M . ? 0.4248 0.5186 0.4321 0.0103 0.0318 0.0964 234 HOH C O 6631 O O . HOH M . ? 0.4456 0.3675 0.3569 -0.1083 0.0363 0.0486 235 HOH C O 6632 O O . HOH M . ? 0.6545 0.4586 0.7135 -0.1398 0.2506 -0.2089 236 HOH C O 6633 O O . HOH M . ? 0.4098 0.4908 0.4479 0.0235 0.0373 0.0972 237 HOH C O 6634 O O . HOH M . ? 0.4463 0.4618 0.3692 -0.1498 0.0961 -0.1494 238 HOH C O 6635 O O . HOH M . ? 0.6447 0.5718 0.6930 -0.1828 0.2200 -0.3055 239 HOH C O 6636 O O . HOH M . ? 0.6752 0.7448 0.5960 -0.1345 0.0572 -0.1123 240 HOH C O 6637 O O . HOH M . ? 0.6527 0.4748 0.7390 -0.0807 0.1957 -0.0999 241 HOH C O 6638 O O . HOH M . ? 0.4313 0.5004 0.7094 0.0739 0.1768 0.0432 242 HOH C O 6639 O O . HOH M . ? 0.4249 0.5135 0.4699 -0.0626 0.0343 0.0020 243 HOH C O 6640 O O . HOH M . ? 0.3470 0.3056 0.3963 -0.0097 0.0577 0.0314 244 HOH C O 6641 O O . HOH M . ? 0.4065 0.5658 0.3028 -0.0509 0.0174 0.0069 245 HOH C O 6642 O O . HOH M . ? 0.5312 0.6338 0.8583 0.0873 0.0672 0.1611 246 HOH C O 6643 O O . HOH M . ? 0.3423 0.3438 0.3361 -0.0172 0.1282 -0.0645 247 HOH C O 6644 O O . HOH M . ? 0.5478 0.5419 0.6342 0.0379 0.0920 0.0244 248 HOH C O 6645 O O . HOH M . ? 0.4864 0.3993 0.5709 -0.0311 0.0922 -0.0320 249 HOH C O 6646 O O . HOH M . ? 0.3981 0.7236 0.6121 -0.0366 0.0242 0.0452 253 HOH C O 6647 O O . HOH M . ? 0.4556 0.6411 0.3199 -0.0729 0.0465 0.0056 254 HOH C O 6648 O O . HOH M . ? 0.4307 0.6074 0.4721 -0.0205 0.0091 0.0315 257 HOH C O 6649 O O . HOH M . ? 0.5494 0.7099 0.4130 -0.0829 0.0466 -0.0596 266 HOH C O 6650 O O . HOH M . ? 0.6771 0.5829 0.8212 -0.0096 0.1608 -0.1150 279 HOH C O 6651 O O . HOH M . ? 0.5316 0.6900 0.8238 0.0399 0.1566 -0.0260 280 HOH C O 6652 O O . HOH M . ? 0.2960 0.5713 0.3506 -0.1740 0.0224 -0.0596 286 HOH C O 6653 O O . HOH M . ? 0.3724 0.4914 0.5589 0.0485 0.0227 0.1408 287 HOH C O 6654 O O . HOH M . ? 0.4539 0.4884 0.4792 -0.0399 0.1034 0.1198 307 HOH C O 6655 O O . HOH M . ? 0.4674 0.4478 0.5287 0.0060 0.0908 0.0959 319 HOH C O 6656 O O . HOH N . ? 0.5241 0.3893 0.2973 -0.0219 0.0371 0.0125 241 HOH D O 6657 O O . HOH N . ? 0.2694 0.2513 0.2843 -0.0026 0.1210 -0.0544 242 HOH D O 6658 O O . HOH N . ? 0.4851 0.4372 0.7497 -0.0085 -0.1435 0.0379 243 HOH D O 6659 O O . HOH N . ? 0.4066 0.4841 0.4589 -0.0399 -0.0443 0.0487 244 HOH D O 6660 O O . HOH N . ? 0.5538 0.6524 0.4124 -0.0922 0.0350 -0.0560 245 HOH D O 6661 O O . HOH N . ? 0.8304 0.6050 0.5649 -0.0553 -0.1393 0.0372 246 HOH D O 6662 O O . HOH N . ? 0.5763 0.5343 0.6361 -0.0288 0.0554 0.0408 247 HOH D O 6663 O O . HOH N . ? 0.3969 0.4326 0.3550 0.0342 0.0807 0.0804 248 HOH D O 6664 O O . HOH N . ? 0.5469 0.4340 0.7525 0.0275 -0.0413 0.0903 249 HOH D O 6665 O O . HOH N . ? 0.4157 0.3593 0.6450 0.0103 -0.0824 0.0406 250 HOH D O 6666 O O . HOH N . ? 0.6586 0.4810 0.8442 -0.0118 -0.1738 0.1300 251 HOH D O 6667 O O . HOH N . ? 0.5225 0.5865 0.8202 0.0709 0.2108 0.0202 252 HOH D O 6668 O O . HOH N . ? 0.5269 0.5594 0.5004 -0.1263 0.0086 -0.0287 253 HOH D O 6669 O O . HOH N . ? 0.5185 0.4079 0.3599 -0.0111 -0.0125 -0.0207 254 HOH D O 6670 O O . HOH N . ? 0.3663 0.3132 0.5130 0.0006 -0.0855 0.0316 255 HOH D O 6671 O O . HOH N . ? 0.5225 0.4217 0.6056 -0.0074 -0.1074 0.0665 256 HOH D O 6672 O O . HOH N . ? 0.4607 0.4889 0.7107 -0.0173 -0.0347 0.0064 257 HOH D O 6673 O O . HOH N . ? 0.3590 0.2147 0.4826 -0.0587 -0.0496 -0.0457 258 HOH D O 6674 O O . HOH N . ? 0.4243 0.3822 0.6094 0.0609 -0.0403 0.0098 259 HOH D O 6675 O O . HOH N . ? 0.5547 0.3545 0.7610 -0.0092 0.0489 -0.0752 260 HOH D O 6676 O O . HOH N . ? 0.6731 0.6668 0.9060 -0.0547 0.1096 0.0521 261 HOH D O 6677 O O . HOH N . ? 0.6051 0.5114 0.7177 -0.0375 -0.0285 0.1481 262 HOH D O 6678 O O . HOH N . ? 0.6193 0.7032 1.0370 0.1280 -0.0689 0.1175 263 HOH D O 6679 O O . HOH N . ? 0.4484 0.3588 0.5164 -0.0045 -0.0235 0.0058 264 HOH D O 6680 O O . HOH N . ? 0.6216 0.2593 0.5171 -0.0801 -0.0392 -0.0039 265 HOH D O 6681 O O . HOH N . ? 0.4540 0.4638 0.3263 -0.1734 0.1389 -0.2025 266 HOH D O 6682 O O . HOH N . ? 0.4119 0.3516 0.6381 -0.0091 0.1889 -0.0682 267 HOH D O 6683 O O . HOH N . ? 0.5154 0.5536 0.4041 -0.0537 0.0512 -0.0499 268 HOH D O 6684 O O . HOH N . ? 0.4448 0.4484 0.4812 -0.0144 0.1706 -0.0780 269 HOH D O 6685 O O . HOH N . ? 0.6395 0.5966 0.7471 -0.0226 -0.0343 0.2679 270 HOH D O 6686 O O . HOH N . ? 0.3665 0.3886 0.4922 0.0391 0.1227 0.0065 271 HOH D O 6687 O O . HOH N . ? 0.5285 0.8234 0.5412 -0.0086 -0.1521 0.0021 272 HOH D O 6688 O O . HOH N . ? 0.5811 0.3472 0.8771 -0.0719 -0.0304 0.1032 273 HOH D O 6689 O O . HOH N . ? 0.6617 0.4773 0.6708 -0.0665 -0.0844 -0.0663 274 HOH D O 6690 O O . HOH N . ? 0.4183 0.4510 0.3146 0.0572 0.0395 0.0078 275 HOH D O 6691 O O . HOH N . ? 0.5113 0.5989 0.3545 -0.1031 0.1175 -0.0856 276 HOH D O 6692 O O . HOH N . ? 0.9810 0.5258 0.4924 -0.0686 0.0524 0.0538 277 HOH D O 6693 O O . HOH N . ? 0.5414 0.4456 0.4808 -0.1454 0.0252 0.0062 278 HOH D O 6694 O O . HOH N . ? 0.5523 0.4984 0.9781 0.0352 0.0425 -0.0267 279 HOH D O 6695 O O . HOH N . ? 0.4818 0.3053 0.3342 0.0192 0.0125 -0.0005 280 HOH D O 6696 O O . HOH N . ? 0.7638 0.4317 0.5889 -0.0673 0.3913 -0.1334 281 HOH D O 6697 O O . HOH N . ? 0.4808 0.7591 0.7442 -0.0601 -0.1524 -0.1406 282 HOH D O 6698 O O . HOH N . ? 0.6724 0.6445 0.5676 -0.2655 0.2102 -0.3054 283 HOH D O 6699 O O . HOH N . ? 0.6264 0.6523 0.9623 -0.0540 0.0539 0.0377 284 HOH D O 6700 O O . HOH N . ? 0.6508 0.5141 0.8283 -0.0109 -0.0362 0.0750 285 HOH D O 6701 O O . HOH N . ? 0.4135 0.4192 0.8703 0.0157 0.0610 -0.0318 286 HOH D O 6702 O O . HOH N . ? 0.5111 0.4837 0.5425 -0.0101 0.1442 0.0106 287 HOH D O 6703 O O . HOH N . ? 0.4728 0.4654 0.4797 -0.0002 0.0815 0.1068 288 HOH D O 6704 O O . HOH N . ? 0.5944 0.9598 0.6487 0.0116 -0.1931 -0.0031 289 HOH D O 6705 O O . HOH N . ? 0.4794 0.4160 0.7327 0.0765 -0.0602 0.0193 290 HOH D O 6706 O O . HOH N . ? 0.4329 0.4592 0.3599 -0.0314 0.0668 -0.0320 291 HOH D O 6707 O O . HOH N . ? 0.5864 0.4480 0.3979 -0.0113 0.1836 -0.0234 292 HOH D O 6708 O O . HOH N . ? 0.7863 0.5434 0.7530 0.0532 -0.0624 0.0360 293 HOH D O 6709 O O . HOH N . ? 0.6473 0.6224 0.9788 -0.0546 -0.1957 0.0077 294 HOH D O 6710 O O . HOH N . ? 0.4339 0.3693 0.7253 -0.0003 0.2118 -0.0821 295 HOH D O 6711 O O . HOH N . ? 0.6953 0.4402 0.5952 -0.0367 0.0713 -0.1208 296 HOH D O 6712 O O . HOH N . ? 0.4913 0.4194 0.5938 0.0350 -0.0137 0.0019 313 HOH D O 6713 O O . HOH N . ? 0.7658 0.5912 0.5575 -0.0395 -0.0984 0.0098 314 HOH D O 6714 O O . HOH N . ? 0.3885 0.3743 0.4207 -0.0214 0.0351 -0.0067 331 HOH D O 6715 O O . HOH N . ? 0.3875 0.3519 0.5921 0.0533 0.0495 -0.0036 332 HOH D O 6716 O O . HOH N . ? 0.5854 0.9377 0.3185 -0.0154 -0.0190 0.0231 333 HOH D O 6717 O O . HOH N . ? 0.5100 0.7049 0.6891 0.0648 0.0309 -0.0916 334 HOH D O 6718 O O . HOH N . ? 0.5086 0.3658 0.3868 0.0202 0.0345 -0.0199 335 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 108 108 108 PRO PRO 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 ? ? ? A . n A 1 199 SER 199 199 ? ? ? A . n A 1 200 ALA 200 200 ? ? ? A . n A 1 201 HIS 201 201 ? ? ? A . n A 1 202 GLY 202 202 ? ? ? A . n A 1 203 HIS 203 203 ? ? ? A . n A 1 204 ARG 204 204 ? ? ? 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 HIS 280 280 ? ? ? A . n A 1 281 HIS 281 281 ? ? ? A . n A 1 282 HIS 282 282 ? ? ? A . n A 1 283 HIS 283 283 ? ? ? A . n A 1 284 HIS 284 284 ? ? ? A . n A 1 285 HIS 285 285 ? ? ? A . n B 2 1 ILE 1 1 ? ? ? 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 ? ? ? B . n B 2 99 MET 99 99 ? ? ? B . n C 3 1 MET 1 -1 ? ? ? C . n C 3 2 LYS 2 0 ? ? ? C . n C 3 3 THR 3 1 1 THR THR C . n C 3 4 GLN 4 2 2 GLN GLN C . n C 3 5 VAL 5 3 3 VAL VAL C . n C 3 6 GLU 6 4 4 GLU GLU C . n C 3 7 GLN 7 5 5 GLN GLN C . n C 3 8 SER 8 6 6 SER SER C . n C 3 9 PRO 9 7 7 PRO PRO C . n C 3 10 GLN 10 8 8 GLN GLN C . n C 3 11 SER 11 9 9 SER SER C . n C 3 12 LEU 12 10 10 LEU LEU C . n C 3 13 VAL 13 11 11 VAL VAL C . n C 3 14 VAL 14 12 12 VAL VAL C . n C 3 15 ARG 15 13 13 ARG ARG C . n C 3 16 GLN 16 14 14 GLN GLN C . n C 3 17 GLY 17 15 15 GLY GLY C . n C 3 18 GLU 18 16 16 GLU GLU C . n C 3 19 ASN 19 17 17 ASN ASN C . n C 3 20 CYS 20 18 18 CYS CYS C . n C 3 21 VAL 21 19 19 VAL VAL C . n C 3 22 LEU 22 20 20 LEU LEU C . n C 3 23 GLN 23 21 21 GLN GLN C . n C 3 24 CYS 24 22 22 CYS CYS C . n C 3 25 ASN 25 23 23 ASN ASN C . n C 3 26 TYR 26 24 24 TYR TYR C . n C 3 27 SER 27 25 25 SER SER C . n C 3 28 VAL 28 26 26 VAL VAL C . n C 3 29 THR 29 27 27 THR THR C . n C 3 30 PRO 30 28 28 PRO PRO C . n C 3 31 ASP 31 29 29 ASP ASP C . n C 3 32 ASN 32 30 30 ASN ASN C . n C 3 33 HIS 33 31 31 HIS HIS C . n C 3 34 LEU 34 32 32 LEU LEU C . n C 3 35 ARG 35 33 33 ARG ARG C . n C 3 36 TRP 36 34 34 TRP TRP C . n C 3 37 PHE 37 35 35 PHE PHE C . n C 3 38 LYS 38 36 36 LYS LYS C . n C 3 39 GLN 39 37 37 GLN GLN C . n C 3 40 ASP 40 38 38 ASP ASP C . n C 3 41 THR 41 39 39 THR THR C . n C 3 42 GLY 42 40 40 GLY GLY C . n C 3 43 LYS 43 41 41 LYS LYS C . n C 3 44 GLY 44 42 42 GLY GLY C . n C 3 45 LEU 45 43 43 LEU LEU C . n C 3 46 VAL 46 44 44 VAL VAL C . n C 3 47 SER 47 45 45 SER SER C . n C 3 48 LEU 48 46 46 LEU LEU C . n C 3 49 THR 49 47 47 THR THR C . n C 3 50 VAL 50 48 48 VAL VAL C . n C 3 51 LEU 51 49 49 LEU LEU C . n C 3 52 VAL 52 50 50 VAL VAL C . n C 3 53 ASP 53 51 51 ASP ASP C . n C 3 54 GLN 54 52 52 GLN GLN C . n C 3 55 LYS 55 53 53 LYS LYS C . n C 3 56 ASP 56 54 54 ASP ASP C . n C 3 57 LYS 57 55 55 LYS LYS C . n C 3 58 THR 58 56 56 THR THR C . n C 3 59 SER 59 57 57 SER SER C . n C 3 60 ASN 60 58 58 ASN ASN C . n C 3 61 GLY 61 59 59 GLY GLY C . n C 3 62 ARG 62 60 60 ARG ARG C . n C 3 63 TYR 63 62 62 TYR TYR C . n C 3 64 SER 64 63 63 SER SER C . n C 3 65 ALA 65 64 64 ALA ALA C . n C 3 66 THR 66 65 65 THR THR C . n C 3 67 LEU 67 66 66 LEU LEU C . n C 3 68 ASP 68 67 67 ASP ASP C . n C 3 69 LYS 69 68 68 LYS LYS C . n C 3 70 ASP 70 69 69 ASP ASP C . n C 3 71 ALA 71 70 70 ALA ALA C . n C 3 72 LYS 72 71 71 LYS LYS C . n C 3 73 HIS 73 72 72 HIS HIS C . n C 3 74 SER 74 73 73 SER SER C . n C 3 75 THR 75 74 74 THR THR C . n C 3 76 LEU 76 75 75 LEU LEU C . n C 3 77 HIS 77 76 76 HIS HIS C . n C 3 78 ILE 78 77 77 ILE ILE C . n C 3 79 THR 79 78 78 THR THR C . n C 3 80 ALA 80 79 79 ALA ALA C . n C 3 81 THR 81 80 80 THR THR C . n C 3 82 LEU 82 81 81 LEU LEU C . n C 3 83 LEU 83 82 82 LEU LEU C . n C 3 84 ASP 84 83 83 ASP ASP C . n C 3 85 ASP 85 84 84 ASP ASP C . n C 3 86 THR 86 85 85 THR THR C . n C 3 87 ALA 87 86 86 ALA ALA C . n C 3 88 THR 88 87 87 THR THR C . n C 3 89 TYR 89 88 88 TYR TYR C . n C 3 90 ILE 90 89 89 ILE ILE C . n C 3 91 CYS 91 90 90 CYS CYS C . n C 3 92 VAL 92 91 91 VAL VAL C . n C 3 93 VAL 93 92 92 VAL VAL C . n C 3 94 GLY 94 93 93 GLY GLY C . n C 3 95 ASP 95 94 94 ASP ASP C . n C 3 96 ARG 96 95 95 ARG ARG C . n C 3 97 GLY 97 96 96 GLY GLY C . n C 3 98 SER 98 97 97 SER SER C . n C 3 99 ALA 99 98 98 ALA ALA C . n C 3 100 LEU 100 99 99 LEU LEU C . n C 3 101 GLY 101 100 100 GLY GLY C . n C 3 102 ARG 102 103 103 ARG ARG C . n C 3 103 LEU 103 104 104 LEU LEU C . n C 3 104 HIS 104 105 105 HIS HIS C . n C 3 105 PHE 105 106 106 PHE PHE C . n C 3 106 GLY 106 107 107 GLY GLY C . n C 3 107 ALA 107 108 108 ALA ALA C . n C 3 108 GLY 108 109 109 GLY GLY C . n C 3 109 THR 109 110 110 THR THR C . n C 3 110 GLN 110 111 111 GLN GLN C . n C 3 111 LEU 111 112 112 LEU LEU C . n C 3 112 ILE 112 113 113 ILE ILE C . n C 3 113 VAL 113 114 114 VAL VAL C . n C 3 114 ILE 114 115 115 ILE ILE C . n C 3 115 PRO 115 116 116 PRO PRO C . n C 3 116 ASP 116 117 117 ASP ASP C . n C 3 117 ILE 117 118 118 ILE ILE C . n C 3 118 GLN 118 119 119 GLN GLN C . n C 3 119 ASN 119 120 120 ASN ASN C . n C 3 120 PRO 120 121 121 PRO PRO C . n C 3 121 ASP 121 122 122 ASP ASP C . n C 3 122 PRO 122 123 123 PRO PRO C . n C 3 123 ALA 123 124 124 ALA ALA C . n C 3 124 VAL 124 125 125 VAL VAL C . n C 3 125 TYR 125 126 126 TYR TYR C . n C 3 126 GLN 126 127 127 GLN GLN C . n C 3 127 LEU 127 128 128 LEU LEU C . n C 3 128 ARG 128 129 129 ARG ARG C . n C 3 129 ASP 129 130 130 ASP ASP C . n C 3 130 SER 130 131 131 SER SER C . n C 3 131 LYS 131 132 132 LYS LYS C . n C 3 132 SER 132 133 133 SER SER C . n C 3 133 SER 133 134 134 SER SER C . n C 3 134 ASP 134 135 135 ASP ASP C . n C 3 135 LYS 135 136 136 LYS LYS C . n C 3 136 SER 136 137 137 SER SER C . n C 3 137 VAL 137 138 138 VAL VAL C . n C 3 138 CYS 138 139 139 CYS CYS C . n C 3 139 LEU 139 140 140 LEU LEU C . n C 3 140 PHE 140 141 141 PHE PHE C . n C 3 141 THR 141 142 142 THR THR C . n C 3 142 ASP 142 143 143 ASP ASP C . n C 3 143 PHE 143 144 144 PHE PHE C . n C 3 144 ASP 144 145 145 ASP ASP C . n C 3 145 SER 145 146 146 SER SER C . n C 3 146 GLN 146 147 147 GLN GLN C . n C 3 147 THR 147 148 148 THR THR C . n C 3 148 ASN 148 149 149 ASN ASN C . n C 3 149 VAL 149 150 150 VAL VAL C . n C 3 150 SER 150 151 151 SER SER C . n C 3 151 GLN 151 152 152 GLN GLN C . n C 3 152 SER 152 153 153 SER SER C . n C 3 153 LYS 153 154 154 LYS LYS C . n C 3 154 ASP 154 155 155 ASP ASP C . n C 3 155 SER 155 156 156 SER SER C . n C 3 156 ASP 156 157 157 ASP ASP C . n C 3 157 VAL 157 158 158 VAL VAL C . n C 3 158 TYR 158 159 159 TYR TYR C . n C 3 159 ILE 159 160 160 ILE ILE C . n C 3 160 THR 160 161 161 THR THR C . n C 3 161 ASP 161 162 162 ASP ASP C . n C 3 162 LYS 162 163 163 LYS LYS C . n C 3 163 CYS 163 164 164 CYS CYS C . n C 3 164 VAL 164 165 165 VAL VAL C . n C 3 165 LEU 165 166 166 LEU LEU C . n C 3 166 ASP 166 167 167 ASP ASP C . n C 3 167 MET 167 168 168 MET MET C . n C 3 168 ARG 168 169 169 ARG ARG C . n C 3 169 SER 169 170 170 SER SER C . n C 3 170 MET 170 171 171 MET MET C . n C 3 171 ASP 171 172 172 ASP ASP C . n C 3 172 PHE 172 173 173 PHE PHE C . n C 3 173 LYS 173 174 174 LYS LYS C . n C 3 174 SER 174 175 175 SER SER C . n C 3 175 ASN 175 176 176 ASN ASN C . n C 3 176 SER 176 177 177 SER SER C . n C 3 177 ALA 177 178 178 ALA ALA C . n C 3 178 VAL 178 179 179 VAL VAL C . n C 3 179 ALA 179 180 180 ALA ALA C . n C 3 180 TRP 180 181 181 TRP TRP C . n C 3 181 SER 181 182 182 SER SER C . n C 3 182 ASN 182 183 183 ASN ASN C . n C 3 183 LYS 183 184 184 LYS LYS C . n C 3 184 SER 184 185 185 SER SER C . n C 3 185 ASP 185 186 186 ASP ASP C . n C 3 186 PHE 186 187 187 PHE PHE C . n C 3 187 ALA 187 188 188 ALA ALA C . n C 3 188 CYS 188 189 189 CYS CYS C . n C 3 189 ALA 189 190 190 ALA ALA C . n C 3 190 ASN 190 191 191 ASN ASN C . n C 3 191 ALA 191 192 192 ALA ALA C . n C 3 192 PHE 192 193 193 PHE PHE C . n C 3 193 ASN 193 194 194 ASN ASN C . n C 3 194 ASN 194 195 195 ASN ASN C . n C 3 195 SER 195 196 196 SER SER C . n C 3 196 ILE 196 197 197 ILE ILE C . n C 3 197 ILE 197 198 198 ILE ILE C . n C 3 198 PRO 198 199 199 PRO PRO C . n C 3 199 GLU 199 200 200 GLU GLU C . n C 3 200 ASP 200 201 201 ASP ASP C . n C 3 201 THR 201 202 202 THR THR C . n C 3 202 PHE 202 203 203 PHE PHE C . n C 3 203 PHE 203 204 204 PHE PHE C . n C 3 204 PRO 204 205 205 PRO PRO C . n C 3 205 SER 205 206 206 SER SER C . n C 3 206 PRO 206 207 ? ? ? C . n C 3 207 GLU 207 208 ? ? ? C . n C 3 208 SER 208 209 ? ? ? C . n C 3 209 SER 209 210 ? ? ? C . n D 4 1 MET 1 0 ? ? ? D . n D 4 2 GLU 2 1 ? ? ? D . n D 4 3 ALA 3 2 2 ALA ALA D . n D 4 4 ALA 4 3 3 ALA ALA D . n D 4 5 VAL 5 4 4 VAL VAL D . n D 4 6 THR 6 5 5 THR THR D . n D 4 7 GLN 7 6 6 GLN GLN D . n D 4 8 SER 8 7 7 SER SER D . n D 4 9 PRO 9 8 8 PRO PRO D . n D 4 10 ARG 10 9 9 ARG ARG D . n D 4 11 ASN 11 10 10 ASN ASN D . n D 4 12 LYS 12 11 11 LYS LYS D . n D 4 13 VAL 13 12 12 VAL VAL D . n D 4 14 ALA 14 13 13 ALA ALA D . n D 4 15 VAL 15 14 14 VAL VAL D . n D 4 16 THR 16 15 15 THR THR D . n D 4 17 GLY 17 16 16 GLY GLY D . n D 4 18 GLY 18 17 17 GLY GLY D . n D 4 19 LYS 19 18 18 LYS LYS D . n D 4 20 VAL 20 19 19 VAL VAL D . n D 4 21 THR 21 20 20 THR THR D . n D 4 22 LEU 22 21 21 LEU LEU D . n D 4 23 SER 23 22 22 SER SER D . n D 4 24 CYS 24 23 23 CYS CYS D . n D 4 25 ASN 25 24 24 ASN ASN D . n D 4 26 GLN 26 25 25 GLN GLN D . n D 4 27 THR 27 26 26 THR THR D . n D 4 28 ASN 28 27 27 ASN ASN D . n D 4 29 ASN 29 28 28 ASN ASN D . n D 4 30 HIS 30 29 29 HIS HIS D . n D 4 31 ASN 31 30 30 ASN ASN D . n D 4 32 ASN 32 31 31 ASN ASN D . n D 4 33 MET 33 32 32 MET MET D . n D 4 34 TYR 34 33 33 TYR TYR D . n D 4 35 TRP 35 34 34 TRP TRP D . n D 4 36 TYR 36 35 35 TYR TYR D . n D 4 37 ARG 37 36 36 ARG ARG D . n D 4 38 GLN 38 37 37 GLN GLN D . n D 4 39 ASP 39 38 38 ASP ASP D . n D 4 40 THR 40 39 39 THR THR D . n D 4 41 GLY 41 40 40 GLY GLY D . n D 4 42 HIS 42 41 41 HIS HIS D . n D 4 43 GLY 43 42 42 GLY GLY D . n D 4 44 LEU 44 43 43 LEU LEU D . n D 4 45 ARG 45 44 44 ARG ARG D . n D 4 46 LEU 46 45 45 LEU LEU D . n D 4 47 ILE 47 46 46 ILE ILE D . n D 4 48 HIS 48 47 47 HIS HIS D . n D 4 49 TYR 49 48 48 TYR TYR D . n D 4 50 SER 50 49 49 SER SER D . n D 4 51 TYR 51 50 50 TYR TYR D . n D 4 52 GLY 52 51 51 GLY GLY D . n D 4 53 ALA 53 52 52 ALA ALA D . n D 4 54 GLY 54 53 53 GLY GLY D . n D 4 55 SER 55 54 54 SER SER D . n D 4 56 THR 56 55 55 THR THR D . n D 4 57 GLU 57 56 56 GLU GLU D . n D 4 58 LYS 58 57 57 LYS LYS D . n D 4 59 GLY 59 58 58 GLY GLY D . n D 4 60 ASP 60 59 59 ASP ASP D . n D 4 61 ILE 61 60 60 ILE ILE D . n D 4 62 PRO 62 61 61 PRO PRO D . n D 4 63 ASP 63 62 62 ASP ASP D . n D 4 64 GLY 64 63 63 GLY GLY D . n D 4 65 TYR 65 64 64 TYR TYR D . n D 4 66 LYS 66 65 65 LYS LYS D . n D 4 67 ALA 67 66 66 ALA ALA D . n D 4 68 SER 68 67 67 SER SER D . n D 4 69 ARG 69 68 68 ARG ARG D . n D 4 70 PRO 70 69 69 PRO PRO D . n D 4 71 SER 71 70 70 SER SER D . n D 4 72 GLN 72 71 71 GLN GLN D . n D 4 73 GLU 73 72 72 GLU GLU D . n D 4 74 ASN 74 73 73 ASN ASN D . n D 4 75 PHE 75 74 74 PHE PHE D . n D 4 76 SER 76 75 75 SER SER D . n D 4 77 LEU 77 76 76 LEU LEU D . n D 4 78 ILE 78 77 77 ILE ILE D . n D 4 79 LEU 79 78 78 LEU LEU D . n D 4 80 GLU 80 79 79 GLU GLU D . n D 4 81 LEU 81 80 80 LEU LEU D . n D 4 82 ALA 82 81 81 ALA ALA D . n D 4 83 THR 83 82 82 THR THR D . n D 4 84 PRO 84 83 83 PRO PRO D . n D 4 85 SER 85 84 84 SER SER D . n D 4 86 GLN 86 85 85 GLN GLN D . n D 4 87 THR 87 86 86 THR THR D . n D 4 88 SER 88 87 87 SER SER D . n D 4 89 VAL 89 88 88 VAL VAL D . n D 4 90 TYR 90 89 89 TYR TYR D . n D 4 91 PHE 91 90 90 PHE PHE D . n D 4 92 CYS 92 91 91 CYS CYS D . n D 4 93 ALA 93 92 92 ALA ALA D . n D 4 94 SER 94 93 93 SER SER D . n D 4 95 GLY 95 94 94 GLY GLY D . n D 4 96 ASP 96 95 95 ASP ASP D . n D 4 97 GLU 97 96 96 GLU GLU D . n D 4 98 GLY 98 97 97 GLY GLY D . n D 4 99 TYR 99 98 98 TYR TYR D . n D 4 100 THR 100 99 99 THR THR D . n D 4 101 GLN 101 100 100 GLN GLN D . n D 4 102 TYR 102 101 101 TYR TYR D . n D 4 103 PHE 103 102 102 PHE PHE D . n D 4 104 GLY 104 103 103 GLY GLY D . n D 4 105 PRO 105 104 104 PRO PRO D . n D 4 106 GLY 106 105 105 GLY GLY D . n D 4 107 THR 107 106 106 THR THR D . n D 4 108 ARG 108 107 107 ARG ARG D . n D 4 109 LEU 109 108 108 LEU LEU D . n D 4 110 LEU 110 109 109 LEU LEU D . n D 4 111 VAL 111 110 110 VAL VAL D . n D 4 112 LEU 112 111 111 LEU LEU D . n D 4 113 GLU 113 112 112 GLU GLU D . n D 4 114 ASP 114 113 113 ASP ASP D . n D 4 115 LEU 115 114 114 LEU LEU D . n D 4 116 ARG 116 115 115 ARG ARG D . n D 4 117 ASN 117 116 116 ASN ASN D . n D 4 118 VAL 118 117 117 VAL VAL D . n D 4 119 THR 119 118 118 THR THR D . n D 4 120 PRO 120 119 119 PRO PRO D . n D 4 121 PRO 121 120 120 PRO PRO D . n D 4 122 LYS 122 121 121 LYS LYS D . n D 4 123 VAL 123 122 122 VAL VAL D . n D 4 124 SER 124 123 123 SER SER D . n D 4 125 LEU 125 124 124 LEU LEU D . n D 4 126 PHE 126 125 125 PHE PHE D . n D 4 127 GLU 127 126 126 GLU GLU D . n D 4 128 PRO 128 127 127 PRO PRO D . n D 4 129 SER 129 128 128 SER SER D . n D 4 130 LYS 130 129 129 LYS LYS D . n D 4 131 ALA 131 130 130 ALA ALA D . n D 4 132 GLU 132 131 131 GLU GLU D . n D 4 133 ILE 133 132 132 ILE ILE D . n D 4 134 SER 134 133 133 SER SER D . n D 4 135 HIS 135 134 134 HIS HIS D . n D 4 136 THR 136 135 135 THR THR D . n D 4 137 GLN 137 136 136 GLN GLN D . n D 4 138 LYS 138 137 137 LYS LYS D . n D 4 139 ALA 139 138 138 ALA ALA D . n D 4 140 THR 140 139 139 THR THR D . n D 4 141 LEU 141 140 140 LEU LEU D . n D 4 142 VAL 142 141 141 VAL VAL D . n D 4 143 CYS 143 142 142 CYS CYS D . n D 4 144 LEU 144 143 143 LEU LEU D . n D 4 145 ALA 145 144 144 ALA ALA D . n D 4 146 THR 146 145 145 THR THR D . n D 4 147 GLY 147 146 146 GLY GLY D . n D 4 148 PHE 148 147 147 PHE PHE D . n D 4 149 TYR 149 148 148 TYR TYR D . n D 4 150 PRO 150 149 149 PRO PRO D . n D 4 151 ASP 151 150 150 ASP ASP D . n D 4 152 HIS 152 151 151 HIS HIS D . n D 4 153 VAL 153 152 152 VAL VAL D . n D 4 154 GLU 154 153 153 GLU GLU D . n D 4 155 LEU 155 154 154 LEU LEU D . n D 4 156 SER 156 155 155 SER SER D . n D 4 157 TRP 157 156 156 TRP TRP D . n D 4 158 TRP 158 157 157 TRP TRP D . n D 4 159 VAL 159 158 158 VAL VAL D . n D 4 160 ASN 160 159 159 ASN ASN D . n D 4 161 GLY 161 160 160 GLY GLY D . n D 4 162 LYS 162 161 161 LYS LYS D . n D 4 163 GLU 163 162 162 GLU GLU D . n D 4 164 VAL 164 163 163 VAL VAL D . n D 4 165 HIS 165 164 164 HIS HIS D . n D 4 166 SER 166 165 165 SER SER D . n D 4 167 GLY 167 166 166 GLY GLY D . n D 4 168 VAL 168 167 167 VAL VAL D . n D 4 169 CYS 169 168 168 CYS CYS D . n D 4 170 THR 170 169 169 THR THR D . n D 4 171 ASP 171 170 170 ASP ASP D . n D 4 172 PRO 172 171 171 PRO PRO D . n D 4 173 GLN 173 172 172 GLN GLN D . n D 4 174 PRO 174 173 173 PRO PRO D . n D 4 175 LEU 175 174 174 LEU LEU D . n D 4 176 LYS 176 175 175 LYS LYS D . n D 4 177 GLU 177 176 176 GLU GLU D . n D 4 178 GLN 178 177 177 GLN GLN D . n D 4 179 PRO 179 178 178 PRO PRO D . n D 4 180 ALA 180 179 179 ALA ALA D . n D 4 181 LEU 181 180 180 LEU LEU D . n D 4 182 ASN 182 181 181 ASN ASN D . n D 4 183 ASP 183 182 182 ASP ASP D . n D 4 184 SER 184 183 183 SER SER D . n D 4 185 ARG 185 184 184 ARG ARG D . n D 4 186 TYR 186 185 185 TYR TYR D . n D 4 187 SER 187 186 186 SER SER D . n D 4 188 LEU 188 187 187 LEU LEU D . n D 4 189 SER 189 188 188 SER SER D . n D 4 190 SER 190 189 189 SER SER D . n D 4 191 ARG 191 190 190 ARG ARG D . n D 4 192 LEU 192 191 191 LEU LEU D . n D 4 193 ARG 193 192 192 ARG ARG D . n D 4 194 VAL 194 193 193 VAL VAL D . n D 4 195 SER 195 194 194 SER SER D . n D 4 196 ALA 196 195 195 ALA ALA D . n D 4 197 THR 197 196 196 THR THR D . n D 4 198 PHE 198 197 197 PHE PHE D . n D 4 199 TRP 199 198 198 TRP TRP D . n D 4 200 GLN 200 199 199 GLN GLN D . n D 4 201 ASN 201 200 200 ASN ASN D . n D 4 202 PRO 202 201 201 PRO PRO D . n D 4 203 ARG 203 202 202 ARG ARG D . n D 4 204 ASN 204 203 203 ASN ASN D . n D 4 205 HIS 205 204 204 HIS HIS D . n D 4 206 PHE 206 205 205 PHE PHE D . n D 4 207 ARG 207 206 206 ARG ARG D . n D 4 208 CYS 208 207 207 CYS CYS D . n D 4 209 GLN 209 208 208 GLN GLN D . n D 4 210 VAL 210 209 209 VAL VAL D . n D 4 211 GLN 211 210 210 GLN GLN D . n D 4 212 PHE 212 211 211 PHE PHE D . n D 4 213 TYR 213 212 212 TYR TYR D . n D 4 214 GLY 214 213 213 GLY GLY D . n D 4 215 LEU 215 214 214 LEU LEU D . n D 4 216 SER 216 215 215 SER SER D . n D 4 217 GLU 217 216 216 GLU GLU D . n D 4 218 ASN 218 217 217 ASN ASN D . n D 4 219 ASP 219 218 218 ASP ASP D . n D 4 220 GLU 220 219 219 GLU GLU D . n D 4 221 TRP 221 220 220 TRP TRP D . n D 4 222 THR 222 221 221 THR THR D . n D 4 223 GLN 223 222 222 GLN GLN D . n D 4 224 ASP 224 223 223 ASP ASP D . n D 4 225 ARG 225 224 224 ARG ARG D . n D 4 226 ALA 226 225 225 ALA ALA D . n D 4 227 LYS 227 226 226 LYS LYS D . n D 4 228 PRO 228 227 227 PRO PRO D . n D 4 229 VAL 229 228 228 VAL VAL D . n D 4 230 THR 230 229 229 THR THR D . n D 4 231 GLN 231 230 230 GLN GLN D . n D 4 232 ILE 232 231 231 ILE ILE D . n D 4 233 VAL 233 232 232 VAL VAL D . n D 4 234 SER 234 233 233 SER SER D . n D 4 235 ALA 235 234 234 ALA ALA D . n D 4 236 GLU 236 235 235 GLU GLU D . n D 4 237 ALA 237 236 236 ALA ALA D . n D 4 238 TRP 238 237 237 TRP TRP D . n D 4 239 GLY 239 238 238 GLY GLY D . n D 4 240 ARG 240 239 239 ARG ARG D . n D 4 241 ALA 241 240 240 ALA ALA 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 # _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 2011-06-29 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # 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[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -45.3156 -20.5491 17.8444 0.0409 0.0563 0.0669 -0.0007 0.0347 0.0197 2.0413 2.5897 2.7813 1.1990 0.8547 0.8569 -0.0405 -0.0191 0.0596 -0.0150 0.0882 0.0237 0.0548 -0.1132 -0.0716 'X-RAY DIFFRACTION' 2 ? refined -13.9276 0.8996 16.2245 0.1351 0.3046 0.6804 -0.0673 -0.0790 0.2944 8.0095 8.0325 2.1152 -1.4968 -0.3250 -0.8273 -0.0348 -0.2152 0.2500 1.1583 1.3100 -1.3469 -0.4092 -0.1334 0.3768 'X-RAY DIFFRACTION' 3 ? refined -16.8296 -20.6050 20.6544 0.1255 0.1138 0.2288 0.0491 -0.0238 0.0266 10.1530 2.5922 3.8203 0.7889 4.5549 1.0936 -0.1243 0.1513 -0.0270 0.4617 -0.2923 -0.4302 0.1566 0.1768 0.4304 'X-RAY DIFFRACTION' 4 ? refined -73.0439 -39.4856 26.1148 0.0734 0.0809 0.0248 -0.0056 0.0287 -0.0283 5.3294 1.9439 2.1934 1.7818 -1.9816 -0.7900 -0.0325 -0.0014 0.0338 -0.0467 0.0183 0.0911 0.0107 0.0544 -0.0952 'X-RAY DIFFRACTION' 5 ? refined -96.0522 -68.0375 29.0552 0.3328 0.5929 0.1593 -0.0913 0.1563 -0.0112 6.9021 8.7811 6.4409 -2.1991 -1.2737 1.3120 -0.4148 0.0548 0.3599 -1.1083 -0.3273 0.6106 1.1037 0.8350 -0.0777 'X-RAY DIFFRACTION' 6 ? refined -60.9953 -53.5348 12.0784 0.1325 0.0703 0.0648 0.0054 0.0434 -0.0359 2.5618 8.8063 1.3863 1.6604 0.1014 -0.2049 -0.0750 0.1223 -0.0473 0.0952 -0.2893 -0.2139 -0.5591 -0.0032 -0.0414 'X-RAY DIFFRACTION' 7 ? refined -85.9146 -70.1608 14.8604 0.1206 0.1425 0.0418 -0.0693 0.0076 0.0407 8.4021 3.5328 2.1132 -2.1933 -0.0917 0.3321 0.0909 -0.1032 0.0123 -0.5333 -0.3137 0.0830 0.1527 0.1309 -0.1615 # 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.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 7 A 185 ? . . . . ? 'X-RAY DIFFRACTION' 2 1 A 500 A 513 ? . . . . ? 'X-RAY DIFFRACTION' 3 1 A 1 A 1 ? . . . . ? 'X-RAY DIFFRACTION' 4 2 A 186 A 279 ? . . . . ? 'X-RAY DIFFRACTION' 5 3 B 2 B 96 ? . . . . ? 'X-RAY DIFFRACTION' 6 4 C 2 C 113 ? . . . . ? 'X-RAY DIFFRACTION' 7 5 C 114 C 204 ? . . . . ? 'X-RAY DIFFRACTION' 8 6 D 3 D 113 ? . . . . ? 'X-RAY DIFFRACTION' 9 7 D 114 D 240 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.5.0102 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3QUZ _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'D219H CONFLICT IN UNP ENTRY P11609' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O D HOH 245 ? ? O D HOH 290 ? ? 2.08 2 1 O C HOH 242 ? ? O D HOH 252 ? ? 2.18 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 D _pdbx_validate_rmsd_bond.auth_comp_id_1 SER _pdbx_validate_rmsd_bond.auth_seq_id_1 54 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OG _pdbx_validate_rmsd_bond.auth_asym_id_2 D _pdbx_validate_rmsd_bond.auth_comp_id_2 SER _pdbx_validate_rmsd_bond.auth_seq_id_2 54 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.500 _pdbx_validate_rmsd_bond.bond_target_value 1.418 _pdbx_validate_rmsd_bond.bond_deviation 0.082 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.013 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 79 ? ? CZ A ARG 79 ? ? NH1 A ARG 79 ? ? 123.77 120.30 3.47 0.50 N 2 1 NE A ARG 79 ? ? CZ A ARG 79 ? ? NH2 A ARG 79 ? ? 116.32 120.30 -3.98 0.50 N 3 1 NE C ARG 60 ? ? CZ C ARG 60 ? ? NH1 C ARG 60 ? ? 123.74 120.30 3.44 0.50 N 4 1 NE C ARG 60 ? ? CZ C ARG 60 ? ? NH2 C ARG 60 ? ? 116.95 120.30 -3.35 0.50 N 5 1 C D GLU 126 ? ? N D PRO 127 ? ? CA D PRO 127 ? ? 128.56 119.30 9.26 1.50 Y # 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 ASN A 20 ? ? -170.81 -166.38 2 1 ASP A 166 ? ? -129.52 -55.79 3 1 LYS B 48 ? ? -90.17 56.78 4 1 TRP B 60 ? ? 79.36 -0.82 5 1 ASP B 96 ? ? -102.78 -100.17 6 1 ASN C 58 ? ? -167.85 89.12 7 1 ALA C 79 ? ? 47.68 71.90 8 1 ALA C 86 ? ? 171.99 -179.75 9 1 ASP C 186 ? ? -87.66 45.02 10 1 ILE D 46 ? ? -100.29 -62.76 11 1 SER D 87 ? ? 179.26 177.08 12 1 ASP D 95 ? ? -100.71 -147.64 13 1 PRO D 127 ? ? -30.60 133.17 14 1 PRO D 149 ? ? -79.29 -164.57 # 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 GLU 64 ? CG ? A GLU 64 CG 2 1 Y 1 A GLU 64 ? CD ? A GLU 64 CD 3 1 Y 1 A GLU 64 ? OE1 ? A GLU 64 OE1 4 1 Y 1 A GLU 64 ? OE2 ? A GLU 64 OE2 5 1 Y 1 A GLU 254 ? CG ? A GLU 254 CG 6 1 Y 1 A GLU 254 ? CD ? A GLU 254 CD 7 1 Y 1 A GLU 254 ? OE1 ? A GLU 254 OE1 8 1 Y 1 A GLU 254 ? OE2 ? A GLU 254 OE2 9 1 Y 1 B LYS 3 ? CG ? B LYS 3 CG 10 1 Y 1 B LYS 3 ? CD ? B LYS 3 CD 11 1 Y 1 B LYS 3 ? CE ? B LYS 3 CE 12 1 Y 1 B LYS 3 ? NZ ? B LYS 3 NZ 13 1 Y 1 B LYS 19 ? CG ? B LYS 19 CG 14 1 Y 1 B LYS 19 ? CD ? B LYS 19 CD 15 1 Y 1 B LYS 19 ? CE ? B LYS 19 CE 16 1 Y 1 B LYS 19 ? NZ ? B LYS 19 NZ 17 1 Y 1 B GLU 36 ? CG ? B GLU 36 CG 18 1 Y 1 B GLU 36 ? CD ? B GLU 36 CD 19 1 Y 1 B GLU 36 ? OE1 ? B GLU 36 OE1 20 1 Y 1 B GLU 36 ? OE2 ? B GLU 36 OE2 21 1 Y 1 B GLU 89 ? CG ? B GLU 89 CG 22 1 Y 1 B GLU 89 ? CD ? B GLU 89 CD 23 1 Y 1 B GLU 89 ? OE1 ? B GLU 89 OE1 24 1 Y 1 B GLU 89 ? OE2 ? B GLU 89 OE2 25 1 Y 1 C LYS 132 ? CG ? C LYS 131 CG 26 1 Y 1 C LYS 132 ? CD ? C LYS 131 CD 27 1 Y 1 C LYS 132 ? CE ? C LYS 131 CE 28 1 Y 1 C LYS 132 ? NZ ? C LYS 131 NZ 29 1 Y 1 C ASP 135 ? CG ? C ASP 134 CG 30 1 Y 1 C ASP 135 ? OD1 ? C ASP 134 OD1 31 1 Y 1 C ASP 135 ? OD2 ? C ASP 134 OD2 32 1 Y 1 C LYS 154 ? CG ? C LYS 153 CG 33 1 Y 1 C LYS 154 ? CD ? C LYS 153 CD 34 1 Y 1 C LYS 154 ? CE ? C LYS 153 CE 35 1 Y 1 C LYS 154 ? NZ ? C LYS 153 NZ 36 1 Y 1 C GLU 200 ? CG ? C GLU 199 CG 37 1 Y 1 C GLU 200 ? CD ? C GLU 199 CD 38 1 Y 1 C GLU 200 ? OE1 ? C GLU 199 OE1 39 1 Y 1 C GLU 200 ? OE2 ? C GLU 199 OE2 40 1 Y 1 D LYS 129 ? CG ? D LYS 130 CG 41 1 Y 1 D LYS 129 ? CD ? D LYS 130 CD 42 1 Y 1 D LYS 129 ? CE ? D LYS 130 CE 43 1 Y 1 D LYS 129 ? NZ ? D LYS 130 NZ 44 1 Y 1 D ASP 182 ? CG ? D ASP 183 CG 45 1 Y 1 D ASP 182 ? OD1 ? D ASP 183 OD1 46 1 Y 1 D ASP 182 ? OD2 ? D ASP 183 OD2 47 1 Y 1 D GLU 219 ? CG ? D GLU 220 CG 48 1 Y 1 D GLU 219 ? CD ? D GLU 220 CD 49 1 Y 1 D GLU 219 ? OE1 ? D GLU 220 OE1 50 1 Y 1 D GLU 219 ? OE2 ? D GLU 220 OE2 # 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 SER 198 ? A SER 198 8 1 Y 1 A SER 199 ? A SER 199 9 1 Y 1 A ALA 200 ? A ALA 200 10 1 Y 1 A HIS 201 ? A HIS 201 11 1 Y 1 A GLY 202 ? A GLY 202 12 1 Y 1 A HIS 203 ? A HIS 203 13 1 Y 1 A ARG 204 ? A ARG 204 14 1 Y 1 A HIS 280 ? A HIS 280 15 1 Y 1 A HIS 281 ? A HIS 281 16 1 Y 1 A HIS 282 ? A HIS 282 17 1 Y 1 A HIS 283 ? A HIS 283 18 1 Y 1 A HIS 284 ? A HIS 284 19 1 Y 1 A HIS 285 ? A HIS 285 20 1 Y 1 B ILE 1 ? B ILE 1 21 1 Y 1 B ASP 98 ? B ASP 98 22 1 Y 1 B MET 99 ? B MET 99 23 1 Y 1 C MET -1 ? C MET 1 24 1 Y 1 C LYS 0 ? C LYS 2 25 1 Y 1 C PRO 207 ? C PRO 206 26 1 Y 1 C GLU 208 ? C GLU 207 27 1 Y 1 C SER 209 ? C SER 208 28 1 Y 1 C SER 210 ? C SER 209 29 1 Y 1 D MET 0 ? D MET 1 30 1 Y 1 D GLU 1 ? D GLU 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 N-ACETYL-D-GLUCOSAMINE NAG 6 ALPHA-L-FUCOSE FUC 7 ;N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide ; QUV 8 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 1 500 500 NAG NAG A . F 5 NAG 1 501 501 NAG NAG A . G 5 NAG 1 511 511 NAG NAG A . H 5 NAG 2 512 512 NAG NAG A . I 6 FUC 3 513 513 FUC FUC A . J 7 QUV 1 286 1 QUV QUV A . K 8 HOH 1 287 2 HOH HOH A . K 8 HOH 2 288 288 HOH HOH A . K 8 HOH 3 289 9 HOH HOH A . K 8 HOH 4 290 13 HOH HOH A . K 8 HOH 5 291 291 HOH HOH A . K 8 HOH 6 292 14 HOH HOH A . K 8 HOH 7 293 15 HOH HOH A . K 8 HOH 8 294 294 HOH HOH A . K 8 HOH 9 295 16 HOH HOH A . K 8 HOH 10 296 22 HOH HOH A . K 8 HOH 11 297 23 HOH HOH A . K 8 HOH 12 298 24 HOH HOH A . K 8 HOH 13 299 25 HOH HOH A . K 8 HOH 14 300 300 HOH HOH A . K 8 HOH 15 301 26 HOH HOH A . K 8 HOH 16 302 29 HOH HOH A . K 8 HOH 17 303 303 HOH HOH A . K 8 HOH 18 304 30 HOH HOH A . K 8 HOH 19 305 31 HOH HOH A . K 8 HOH 20 306 306 HOH HOH A . K 8 HOH 21 307 36 HOH HOH A . K 8 HOH 22 308 38 HOH HOH A . K 8 HOH 23 309 39 HOH HOH A . K 8 HOH 24 310 42 HOH HOH A . K 8 HOH 25 311 44 HOH HOH A . K 8 HOH 26 312 45 HOH HOH A . K 8 HOH 27 313 52 HOH HOH A . K 8 HOH 28 314 56 HOH HOH A . K 8 HOH 29 315 58 HOH HOH A . K 8 HOH 30 316 316 HOH HOH A . K 8 HOH 31 317 61 HOH HOH A . K 8 HOH 32 318 63 HOH HOH A . K 8 HOH 33 319 65 HOH HOH A . K 8 HOH 34 320 69 HOH HOH A . K 8 HOH 35 321 73 HOH HOH A . K 8 HOH 36 322 322 HOH HOH A . K 8 HOH 37 323 323 HOH HOH A . K 8 HOH 38 324 74 HOH HOH A . K 8 HOH 39 325 81 HOH HOH A . K 8 HOH 40 326 84 HOH HOH A . K 8 HOH 41 327 85 HOH HOH A . K 8 HOH 42 328 87 HOH HOH A . K 8 HOH 43 329 97 HOH HOH A . K 8 HOH 44 330 330 HOH HOH A . K 8 HOH 45 331 100 HOH HOH A . K 8 HOH 46 332 101 HOH HOH A . K 8 HOH 47 333 106 HOH HOH A . K 8 HOH 48 334 114 HOH HOH A . K 8 HOH 49 335 116 HOH HOH A . K 8 HOH 50 336 119 HOH HOH A . K 8 HOH 51 337 128 HOH HOH A . K 8 HOH 52 338 129 HOH HOH A . K 8 HOH 53 339 131 HOH HOH A . K 8 HOH 54 340 132 HOH HOH A . K 8 HOH 55 341 136 HOH HOH A . K 8 HOH 56 342 141 HOH HOH A . K 8 HOH 57 343 144 HOH HOH A . K 8 HOH 58 344 146 HOH HOH A . K 8 HOH 59 345 156 HOH HOH A . K 8 HOH 60 346 157 HOH HOH A . K 8 HOH 61 347 163 HOH HOH A . K 8 HOH 62 348 164 HOH HOH A . K 8 HOH 63 349 169 HOH HOH A . K 8 HOH 64 350 171 HOH HOH A . K 8 HOH 65 351 172 HOH HOH A . K 8 HOH 66 352 174 HOH HOH A . K 8 HOH 67 353 181 HOH HOH A . K 8 HOH 68 354 183 HOH HOH A . K 8 HOH 69 355 184 HOH HOH A . K 8 HOH 70 356 188 HOH HOH A . K 8 HOH 71 357 203 HOH HOH A . K 8 HOH 72 358 208 HOH HOH A . K 8 HOH 73 359 212 HOH HOH A . K 8 HOH 74 360 215 HOH HOH A . K 8 HOH 75 361 224 HOH HOH A . K 8 HOH 76 362 235 HOH HOH A . K 8 HOH 77 363 236 HOH HOH A . K 8 HOH 78 364 244 HOH HOH A . K 8 HOH 79 365 250 HOH HOH A . K 8 HOH 80 366 252 HOH HOH A . K 8 HOH 81 367 258 HOH HOH A . K 8 HOH 82 368 259 HOH HOH A . K 8 HOH 83 369 264 HOH HOH A . K 8 HOH 84 370 273 HOH HOH A . K 8 HOH 85 371 283 HOH HOH A . L 8 HOH 1 100 20 HOH HOH B . L 8 HOH 2 101 21 HOH HOH B . L 8 HOH 3 102 49 HOH HOH B . L 8 HOH 4 103 54 HOH HOH B . L 8 HOH 5 104 60 HOH HOH B . L 8 HOH 6 105 105 HOH HOH B . L 8 HOH 7 106 62 HOH HOH B . L 8 HOH 8 107 107 HOH HOH B . L 8 HOH 9 108 76 HOH HOH B . L 8 HOH 10 109 89 HOH HOH B . L 8 HOH 11 110 95 HOH HOH B . L 8 HOH 12 112 112 HOH HOH B . L 8 HOH 13 121 121 HOH HOH B . L 8 HOH 14 122 122 HOH HOH B . L 8 HOH 15 145 145 HOH HOH B . L 8 HOH 16 160 160 HOH HOH B . L 8 HOH 17 162 162 HOH HOH B . L 8 HOH 18 165 165 HOH HOH B . L 8 HOH 19 178 178 HOH HOH B . L 8 HOH 20 202 202 HOH HOH B . L 8 HOH 21 204 204 HOH HOH B . L 8 HOH 22 213 213 HOH HOH B . L 8 HOH 23 265 265 HOH HOH B . L 8 HOH 24 272 272 HOH HOH B . L 8 HOH 25 310 310 HOH HOH B . L 8 HOH 26 311 311 HOH HOH B . L 8 HOH 27 315 315 HOH HOH B . L 8 HOH 28 318 318 HOH HOH B . M 8 HOH 1 102 102 HOH HOH C . M 8 HOH 2 211 1 HOH HOH C . M 8 HOH 3 212 4 HOH HOH C . M 8 HOH 4 213 5 HOH HOH C . M 8 HOH 5 214 6 HOH HOH C . M 8 HOH 6 215 8 HOH HOH C . M 8 HOH 7 216 34 HOH HOH C . M 8 HOH 8 217 37 HOH HOH C . M 8 HOH 9 218 218 HOH HOH C . M 8 HOH 10 219 51 HOH HOH C . M 8 HOH 11 220 55 HOH HOH C . M 8 HOH 12 221 221 HOH HOH C . M 8 HOH 13 222 64 HOH HOH C . M 8 HOH 14 223 71 HOH HOH C . M 8 HOH 15 224 78 HOH HOH C . M 8 HOH 16 225 83 HOH HOH C . M 8 HOH 17 226 92 HOH HOH C . M 8 HOH 18 227 99 HOH HOH C . M 8 HOH 19 228 228 HOH HOH C . M 8 HOH 20 229 229 HOH HOH C . M 8 HOH 21 230 103 HOH HOH C . M 8 HOH 22 231 108 HOH HOH C . M 8 HOH 23 232 232 HOH HOH C . M 8 HOH 24 233 120 HOH HOH C . M 8 HOH 25 234 234 HOH HOH C . M 8 HOH 26 235 123 HOH HOH C . M 8 HOH 27 236 130 HOH HOH C . M 8 HOH 28 237 137 HOH HOH C . M 8 HOH 29 238 140 HOH HOH C . M 8 HOH 30 239 151 HOH HOH C . M 8 HOH 31 240 240 HOH HOH C . M 8 HOH 32 241 166 HOH HOH C . M 8 HOH 33 242 242 HOH HOH C . M 8 HOH 34 243 194 HOH HOH C . M 8 HOH 35 244 195 HOH HOH C . M 8 HOH 36 245 196 HOH HOH C . M 8 HOH 37 246 199 HOH HOH C . M 8 HOH 38 247 200 HOH HOH C . M 8 HOH 39 248 207 HOH HOH C . M 8 HOH 40 249 249 HOH HOH C . M 8 HOH 41 253 253 HOH HOH C . M 8 HOH 42 254 254 HOH HOH C . M 8 HOH 43 257 257 HOH HOH C . M 8 HOH 44 266 266 HOH HOH C . M 8 HOH 45 279 279 HOH HOH C . M 8 HOH 46 280 280 HOH HOH C . M 8 HOH 47 286 286 HOH HOH C . M 8 HOH 48 287 287 HOH HOH C . M 8 HOH 49 307 307 HOH HOH C . M 8 HOH 50 319 319 HOH HOH C . N 8 HOH 1 241 3 HOH HOH D . N 8 HOH 2 242 7 HOH HOH D . N 8 HOH 3 243 18 HOH HOH D . N 8 HOH 4 244 19 HOH HOH D . N 8 HOH 5 245 245 HOH HOH D . N 8 HOH 6 246 246 HOH HOH D . N 8 HOH 7 247 28 HOH HOH D . N 8 HOH 8 248 32 HOH HOH D . N 8 HOH 9 249 33 HOH HOH D . N 8 HOH 10 250 35 HOH HOH D . N 8 HOH 11 251 40 HOH HOH D . N 8 HOH 12 252 46 HOH HOH D . N 8 HOH 13 253 47 HOH HOH D . N 8 HOH 14 254 48 HOH HOH D . N 8 HOH 15 255 59 HOH HOH D . N 8 HOH 16 256 67 HOH HOH D . N 8 HOH 17 257 70 HOH HOH D . N 8 HOH 18 258 79 HOH HOH D . N 8 HOH 19 259 82 HOH HOH D . N 8 HOH 20 260 90 HOH HOH D . N 8 HOH 21 261 261 HOH HOH D . N 8 HOH 22 262 262 HOH HOH D . N 8 HOH 23 263 263 HOH HOH D . N 8 HOH 24 264 96 HOH HOH D . N 8 HOH 25 265 98 HOH HOH D . N 8 HOH 26 266 109 HOH HOH D . N 8 HOH 27 267 111 HOH HOH D . N 8 HOH 28 268 268 HOH HOH D . N 8 HOH 29 269 113 HOH HOH D . N 8 HOH 30 270 270 HOH HOH D . N 8 HOH 31 271 124 HOH HOH D . N 8 HOH 32 272 127 HOH HOH D . N 8 HOH 33 273 134 HOH HOH D . N 8 HOH 34 274 135 HOH HOH D . N 8 HOH 35 275 147 HOH HOH D . N 8 HOH 36 276 149 HOH HOH D . N 8 HOH 37 277 277 HOH HOH D . N 8 HOH 38 278 150 HOH HOH D . N 8 HOH 39 279 153 HOH HOH D . N 8 HOH 40 280 170 HOH HOH D . N 8 HOH 41 281 281 HOH HOH D . N 8 HOH 42 282 175 HOH HOH D . N 8 HOH 43 283 176 HOH HOH D . N 8 HOH 44 284 177 HOH HOH D . N 8 HOH 45 285 285 HOH HOH D . N 8 HOH 46 286 189 HOH HOH D . N 8 HOH 47 287 197 HOH HOH D . N 8 HOH 48 288 205 HOH HOH D . N 8 HOH 49 289 216 HOH HOH D . N 8 HOH 50 290 220 HOH HOH D . N 8 HOH 51 291 223 HOH HOH D . N 8 HOH 52 292 225 HOH HOH D . N 8 HOH 53 293 226 HOH HOH D . N 8 HOH 54 294 231 HOH HOH D . N 8 HOH 55 295 233 HOH HOH D . N 8 HOH 56 296 238 HOH HOH D . N 8 HOH 57 313 313 HOH HOH D . N 8 HOH 58 314 314 HOH HOH D . N 8 HOH 59 331 331 HOH HOH D . N 8 HOH 60 332 332 HOH HOH D . N 8 HOH 61 333 333 HOH HOH D . N 8 HOH 62 334 334 HOH HOH D . N 8 HOH 63 335 335 HOH HOH D . #