diff --git "a/results/d2d95889-preds.model_idx_3.cif" "b/results/d2d95889-preds.model_idx_3.cif" new file mode 100644--- /dev/null +++ "b/results/d2d95889-preds.model_idx_3.cif" @@ -0,0 +1,4526 @@ +data_model +_entry.id model +_struct.entry_id model +_struct.pdbx_model_details . +_struct.pdbx_structure_determination_methodology computational +_struct.title 'Chai-1 predicted structure' +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/80e1e22/dist/mmcif_ma.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.4.7 +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Chai Discovery team' 1 +# +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.name +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.ma_provenance +ALA 'L-peptide linking' . . . 'CCD Core' +ARG 'L-peptide linking' . . . 'CCD Core' +ASN 'L-peptide linking' . . . 'CCD Core' +ASP 'L-peptide linking' . . . 'CCD Core' +CYS 'L-peptide linking' . . . 'CCD Core' +GLN 'L-peptide linking' . . . 'CCD Core' +GLU 'L-peptide linking' . . . 'CCD Core' +GLY 'L-peptide linking' . . . 'CCD Core' +HIS 'L-peptide linking' . . . 'CCD Core' +ILE 'L-peptide linking' . . . 'CCD Core' +LEU 'L-peptide linking' . . . 'CCD Core' +LIG4 non-polymer . . . 'CCD Core' +LYS 'L-peptide linking' . . . 'CCD Core' +MET 'L-peptide linking' . . . 'CCD Core' +PHE 'L-peptide linking' . . . 'CCD Core' +PRO 'L-peptide linking' . . . 'CCD Core' +SER 'L-peptide linking' . . . 'CCD Core' +THR 'L-peptide linking' . . . 'CCD Core' +TRP 'L-peptide linking' . . . 'CCD Core' +TYR 'L-peptide linking' . . . 'CCD Core' +VAL 'L-peptide linking' . . . 'CCD Core' +# +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.details +1 polymer man 'Entity A' . 1 . +2 polymer man 'Entity B' . 1 . +3 polymer man 'Entity C' . 1 . +4 non-polymer man 'Entity D' . 1 . +# +# +loop_ +_entity_poly.entity_id +_entity_poly.type +_entity_poly.nstd_linkage +_entity_poly.nstd_monomer +_entity_poly.pdbx_strand_id +_entity_poly.pdbx_seq_one_letter_code +_entity_poly.pdbx_seq_one_letter_code_can +1 polypeptide(L) no no A +;AGSHSMRYFSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGPEYWDRETQKYKR +QAQTDRVSLRNLRGYYNQSEAGSHTLQWMFGCDLGPDGRLLRGYDQSAYDGKDYIALNEDLRSWTAADTA +AQITQRKWEAAREAEQRRAYLEGTCVEWLRRYLENGKETLQRAEHPKTHVTHHPVSDHEATLRCWALGFY +PAEITLTWQWDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPEPLTLRWEP +; + +;AGSHSMRYFSTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASPRGEPRAPWVEQEGPEYWDRETQKYKR +QAQTDRVSLRNLRGYYNQSEAGSHTLQWMFGCDLGPDGRLLRGYDQSAYDGKDYIALNEDLRSWTAADTA +AQITQRKWEAAREAEQRRAYLEGTCVEWLRRYLENGKETLQRAEHPKTHVTHHPVSDHEATLRCWALGFY +PAEITLTWQWDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPEPLTLRWEP +; + +2 polypeptide(L) no no B +;AIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTE +FTPTEKDEYACRVNHVTLSQPKIVKWDRDM +; + +;AIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTE +FTPTEKDEYACRVNHVTLSQPKIVKWDRDM +; + +3 polypeptide(L) no no C GAAL GAAL +# +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.ma_model_mode +4 'Entity D' LIG4 . +# +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 ALA . +1 2 GLY . +1 3 SER . +1 4 HIS . +1 5 SER . +1 6 MET . +1 7 ARG . +1 8 TYR . +1 9 PHE . +1 10 SER . +1 11 THR . +1 12 SER . +1 13 VAL . +1 14 SER . +1 15 ARG . +1 16 PRO . +1 17 GLY . +1 18 ARG . +1 19 GLY . +1 20 GLU . +1 21 PRO . +1 22 ARG . +1 23 PHE . +1 24 ILE . +1 25 ALA . +1 26 VAL . +1 27 GLY . +1 28 TYR . +1 29 VAL . +1 30 ASP . +1 31 ASP . +1 32 THR . +1 33 GLN . +1 34 PHE . +1 35 VAL . +1 36 ARG . +1 37 PHE . +1 38 ASP . +1 39 SER . +1 40 ASP . +1 41 ALA . +1 42 ALA . +1 43 SER . +1 44 PRO . +1 45 ARG . +1 46 GLY . +1 47 GLU . +1 48 PRO . +1 49 ARG . +1 50 ALA . +1 51 PRO . +1 52 TRP . +1 53 VAL . +1 54 GLU . +1 55 GLN . +1 56 GLU . +1 57 GLY . +1 58 PRO . +1 59 GLU . +1 60 TYR . +1 61 TRP . +1 62 ASP . +1 63 ARG . +1 64 GLU . +1 65 THR . +1 66 GLN . +1 67 LYS . +1 68 TYR . +1 69 LYS . +1 70 ARG . +1 71 GLN . +1 72 ALA . +1 73 GLN . +1 74 THR . +1 75 ASP . +1 76 ARG . +1 77 VAL . +1 78 SER . +1 79 LEU . +1 80 ARG . +1 81 ASN . +1 82 LEU . +1 83 ARG . +1 84 GLY . +1 85 TYR . +1 86 TYR . +1 87 ASN . +1 88 GLN . +1 89 SER . +1 90 GLU . +1 91 ALA . +1 92 GLY . +1 93 SER . +1 94 HIS . +1 95 THR . +1 96 LEU . +1 97 GLN . +1 98 TRP . +1 99 MET . +1 100 PHE . +1 101 GLY . +1 102 CYS . +1 103 ASP . +1 104 LEU . +1 105 GLY . +1 106 PRO . +1 107 ASP . +1 108 GLY . +1 109 ARG . +1 110 LEU . +1 111 LEU . +1 112 ARG . +1 113 GLY . +1 114 TYR . +1 115 ASP . +1 116 GLN . +1 117 SER . +1 118 ALA . +1 119 TYR . +1 120 ASP . +1 121 GLY . +1 122 LYS . +1 123 ASP . +1 124 TYR . +1 125 ILE . +1 126 ALA . +1 127 LEU . +1 128 ASN . +1 129 GLU . +1 130 ASP . +1 131 LEU . +1 132 ARG . +1 133 SER . +1 134 TRP . +1 135 THR . +1 136 ALA . +1 137 ALA . +1 138 ASP . +1 139 THR . +1 140 ALA . +1 141 ALA . +1 142 GLN . +1 143 ILE . +1 144 THR . +1 145 GLN . +1 146 ARG . +1 147 LYS . +1 148 TRP . +1 149 GLU . +1 150 ALA . +1 151 ALA . +1 152 ARG . +1 153 GLU . +1 154 ALA . +1 155 GLU . +1 156 GLN . +1 157 ARG . +1 158 ARG . +1 159 ALA . +1 160 TYR . +1 161 LEU . +1 162 GLU . +1 163 GLY . +1 164 THR . +1 165 CYS . +1 166 VAL . +1 167 GLU . +1 168 TRP . +1 169 LEU . +1 170 ARG . +1 171 ARG . +1 172 TYR . +1 173 LEU . +1 174 GLU . +1 175 ASN . +1 176 GLY . +1 177 LYS . +1 178 GLU . +1 179 THR . +1 180 LEU . +1 181 GLN . +1 182 ARG . +1 183 ALA . +1 184 GLU . +1 185 HIS . +1 186 PRO . +1 187 LYS . +1 188 THR . +1 189 HIS . +1 190 VAL . +1 191 THR . +1 192 HIS . +1 193 HIS . +1 194 PRO . +1 195 VAL . +1 196 SER . +1 197 ASP . +1 198 HIS . +1 199 GLU . +1 200 ALA . +1 201 THR . +1 202 LEU . +1 203 ARG . +1 204 CYS . +1 205 TRP . +1 206 ALA . +1 207 LEU . +1 208 GLY . +1 209 PHE . +1 210 TYR . +1 211 PRO . +1 212 ALA . +1 213 GLU . +1 214 ILE . +1 215 THR . +1 216 LEU . +1 217 THR . +1 218 TRP . +1 219 GLN . +1 220 TRP . +1 221 ASP . +1 222 GLY . +1 223 GLU . +1 224 ASP . +1 225 GLN . +1 226 THR . +1 227 GLN . +1 228 ASP . +1 229 THR . +1 230 GLU . +1 231 LEU . +1 232 VAL . +1 233 GLU . +1 234 THR . +1 235 ARG . +1 236 PRO . +1 237 ALA . +1 238 GLY . +1 239 ASP . +1 240 GLY . +1 241 THR . +1 242 PHE . +1 243 GLN . +1 244 LYS . +1 245 TRP . +1 246 ALA . +1 247 ALA . +1 248 VAL . +1 249 VAL . +1 250 VAL . +1 251 PRO . +1 252 SER . +1 253 GLY . +1 254 GLU . +1 255 GLU . +1 256 GLN . +1 257 ARG . +1 258 TYR . +1 259 THR . +1 260 CYS . +1 261 HIS . +1 262 VAL . +1 263 GLN . +1 264 HIS . +1 265 GLU . +1 266 GLY . +1 267 LEU . +1 268 PRO . +1 269 GLU . +1 270 PRO . +1 271 LEU . +1 272 THR . +1 273 LEU . +1 274 ARG . +1 275 TRP . +1 276 GLU . +1 277 PRO . +2 1 ALA . +2 2 ILE . +2 3 GLN . +2 4 ARG . +2 5 THR . +2 6 PRO . +2 7 LYS . +2 8 ILE . +2 9 GLN . +2 10 VAL . +2 11 TYR . +2 12 SER . +2 13 ARG . +2 14 HIS . +2 15 PRO . +2 16 ALA . +2 17 GLU . +2 18 ASN . +2 19 GLY . +2 20 LYS . +2 21 SER . +2 22 ASN . +2 23 PHE . +2 24 LEU . +2 25 ASN . +2 26 CYS . +2 27 TYR . +2 28 VAL . +2 29 SER . +2 30 GLY . +2 31 PHE . +2 32 HIS . +2 33 PRO . +2 34 SER . +2 35 ASP . +2 36 ILE . +2 37 GLU . +2 38 VAL . +2 39 ASP . +2 40 LEU . +2 41 LEU . +2 42 LYS . +2 43 ASN . +2 44 GLY . +2 45 GLU . +2 46 ARG . +2 47 ILE . +2 48 GLU . +2 49 LYS . +2 50 VAL . +2 51 GLU . +2 52 HIS . +2 53 SER . +2 54 ASP . +2 55 LEU . +2 56 SER . +2 57 PHE . +2 58 SER . +2 59 LYS . +2 60 ASP . +2 61 TRP . +2 62 SER . +2 63 PHE . +2 64 TYR . +2 65 LEU . +2 66 LEU . +2 67 TYR . +2 68 TYR . +2 69 THR . +2 70 GLU . +2 71 PHE . +2 72 THR . +2 73 PRO . +2 74 THR . +2 75 GLU . +2 76 LYS . +2 77 ASP . +2 78 GLU . +2 79 TYR . +2 80 ALA . +2 81 CYS . +2 82 ARG . +2 83 VAL . +2 84 ASN . +2 85 HIS . +2 86 VAL . +2 87 THR . +2 88 LEU . +2 89 SER . +2 90 GLN . +2 91 PRO . +2 92 LYS . +2 93 ILE . +2 94 VAL . +2 95 LYS . +2 96 TRP . +2 97 ASP . +2 98 ARG . +2 99 ASP . +2 100 MET . +3 1 GLY . +3 2 ALA . +3 3 ALA . +3 4 LEU . +# +# +loop_ +_struct_asym.id +_struct_asym.entity_id +_struct_asym.details +A 1 'Chain A' +B 2 'Chain B' +C 3 'Chain C' +D 4 'Chain D' +# +# +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.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 +A 1 1 ALA 1 1 ALA ALA A . +A 1 2 GLY 2 2 GLY GLY A . +A 1 3 SER 3 3 SER SER A . +A 1 4 HIS 4 4 HIS HIS A . +A 1 5 SER 5 5 SER SER A . +A 1 6 MET 6 6 MET MET A . +A 1 7 ARG 7 7 ARG ARG A . +A 1 8 TYR 8 8 TYR TYR A . +A 1 9 PHE 9 9 PHE PHE A . +A 1 10 SER 10 10 SER SER A . +A 1 11 THR 11 11 THR THR A . +A 1 12 SER 12 12 SER SER A . +A 1 13 VAL 13 13 VAL VAL A . +A 1 14 SER 14 14 SER SER A . +A 1 15 ARG 15 15 ARG ARG A . +A 1 16 PRO 16 16 PRO PRO A . +A 1 17 GLY 17 17 GLY GLY A . +A 1 18 ARG 18 18 ARG ARG A . +A 1 19 GLY 19 19 GLY GLY A . +A 1 20 GLU 20 20 GLU GLU A . +A 1 21 PRO 21 21 PRO PRO A . +A 1 22 ARG 22 22 ARG ARG A . +A 1 23 PHE 23 23 PHE PHE A . +A 1 24 ILE 24 24 ILE ILE A . +A 1 25 ALA 25 25 ALA ALA A . +A 1 26 VAL 26 26 VAL VAL A . +A 1 27 GLY 27 27 GLY GLY A . +A 1 28 TYR 28 28 TYR TYR A . +A 1 29 VAL 29 29 VAL VAL A . +A 1 30 ASP 30 30 ASP ASP A . +A 1 31 ASP 31 31 ASP ASP A . +A 1 32 THR 32 32 THR THR A . +A 1 33 GLN 33 33 GLN GLN A . +A 1 34 PHE 34 34 PHE PHE A . +A 1 35 VAL 35 35 VAL VAL A . +A 1 36 ARG 36 36 ARG ARG A . +A 1 37 PHE 37 37 PHE PHE A . +A 1 38 ASP 38 38 ASP ASP A . +A 1 39 SER 39 39 SER SER A . +A 1 40 ASP 40 40 ASP ASP A . +A 1 41 ALA 41 41 ALA ALA A . +A 1 42 ALA 42 42 ALA ALA A . +A 1 43 SER 43 43 SER SER A . +A 1 44 PRO 44 44 PRO PRO A . +A 1 45 ARG 45 45 ARG ARG A . +A 1 46 GLY 46 46 GLY GLY A . +A 1 47 GLU 47 47 GLU GLU A . +A 1 48 PRO 48 48 PRO PRO A . +A 1 49 ARG 49 49 ARG ARG A . +A 1 50 ALA 50 50 ALA ALA A . +A 1 51 PRO 51 51 PRO PRO A . +A 1 52 TRP 52 52 TRP TRP A . +A 1 53 VAL 53 53 VAL VAL A . +A 1 54 GLU 54 54 GLU GLU A . +A 1 55 GLN 55 55 GLN GLN A . +A 1 56 GLU 56 56 GLU GLU A . +A 1 57 GLY 57 57 GLY GLY A . +A 1 58 PRO 58 58 PRO PRO A . +A 1 59 GLU 59 59 GLU GLU A . +A 1 60 TYR 60 60 TYR TYR A . +A 1 61 TRP 61 61 TRP TRP A . +A 1 62 ASP 62 62 ASP ASP A . +A 1 63 ARG 63 63 ARG ARG A . +A 1 64 GLU 64 64 GLU GLU A . +A 1 65 THR 65 65 THR THR A . +A 1 66 GLN 66 66 GLN GLN A . +A 1 67 LYS 67 67 LYS LYS A . +A 1 68 TYR 68 68 TYR TYR A . +A 1 69 LYS 69 69 LYS LYS A . +A 1 70 ARG 70 70 ARG ARG A . +A 1 71 GLN 71 71 GLN GLN A . +A 1 72 ALA 72 72 ALA ALA A . +A 1 73 GLN 73 73 GLN GLN A . +A 1 74 THR 74 74 THR THR A . +A 1 75 ASP 75 75 ASP ASP A . +A 1 76 ARG 76 76 ARG ARG A . +A 1 77 VAL 77 77 VAL VAL A . +A 1 78 SER 78 78 SER SER A . +A 1 79 LEU 79 79 LEU LEU A . +A 1 80 ARG 80 80 ARG ARG A . +A 1 81 ASN 81 81 ASN ASN A . +A 1 82 LEU 82 82 LEU LEU A . +A 1 83 ARG 83 83 ARG ARG A . +A 1 84 GLY 84 84 GLY GLY A . +A 1 85 TYR 85 85 TYR TYR A . +A 1 86 TYR 86 86 TYR TYR A . +A 1 87 ASN 87 87 ASN ASN A . +A 1 88 GLN 88 88 GLN GLN A . +A 1 89 SER 89 89 SER SER A . +A 1 90 GLU 90 90 GLU GLU A . +A 1 91 ALA 91 91 ALA ALA A . +A 1 92 GLY 92 92 GLY GLY A . +A 1 93 SER 93 93 SER SER A . +A 1 94 HIS 94 94 HIS HIS A . +A 1 95 THR 95 95 THR THR A . +A 1 96 LEU 96 96 LEU LEU A . +A 1 97 GLN 97 97 GLN GLN A . +A 1 98 TRP 98 98 TRP TRP A . +A 1 99 MET 99 99 MET MET A . +A 1 100 PHE 100 100 PHE PHE A . +A 1 101 GLY 101 101 GLY GLY A . +A 1 102 CYS 102 102 CYS CYS A . +A 1 103 ASP 103 103 ASP ASP A . +A 1 104 LEU 104 104 LEU LEU A . +A 1 105 GLY 105 105 GLY GLY A . +A 1 106 PRO 106 106 PRO PRO A . +A 1 107 ASP 107 107 ASP ASP A . +A 1 108 GLY 108 108 GLY GLY A . +A 1 109 ARG 109 109 ARG ARG A . +A 1 110 LEU 110 110 LEU LEU A . +A 1 111 LEU 111 111 LEU LEU A . +A 1 112 ARG 112 112 ARG ARG A . +A 1 113 GLY 113 113 GLY GLY A . +A 1 114 TYR 114 114 TYR TYR A . +A 1 115 ASP 115 115 ASP ASP A . +A 1 116 GLN 116 116 GLN GLN A . +A 1 117 SER 117 117 SER SER A . +A 1 118 ALA 118 118 ALA ALA A . +A 1 119 TYR 119 119 TYR TYR A . +A 1 120 ASP 120 120 ASP ASP A . +A 1 121 GLY 121 121 GLY GLY A . +A 1 122 LYS 122 122 LYS LYS A . +A 1 123 ASP 123 123 ASP ASP A . +A 1 124 TYR 124 124 TYR TYR A . +A 1 125 ILE 125 125 ILE ILE A . +A 1 126 ALA 126 126 ALA ALA A . +A 1 127 LEU 127 127 LEU LEU A . +A 1 128 ASN 128 128 ASN ASN A . +A 1 129 GLU 129 129 GLU GLU A . +A 1 130 ASP 130 130 ASP ASP A . +A 1 131 LEU 131 131 LEU LEU A . +A 1 132 ARG 132 132 ARG ARG A . +A 1 133 SER 133 133 SER SER A . +A 1 134 TRP 134 134 TRP TRP A . +A 1 135 THR 135 135 THR THR A . +A 1 136 ALA 136 136 ALA ALA A . +A 1 137 ALA 137 137 ALA ALA A . +A 1 138 ASP 138 138 ASP ASP A . +A 1 139 THR 139 139 THR THR A . +A 1 140 ALA 140 140 ALA ALA A . +A 1 141 ALA 141 141 ALA ALA A . +A 1 142 GLN 142 142 GLN GLN A . +A 1 143 ILE 143 143 ILE ILE A . +A 1 144 THR 144 144 THR THR A . +A 1 145 GLN 145 145 GLN GLN A . +A 1 146 ARG 146 146 ARG ARG A . +A 1 147 LYS 147 147 LYS LYS A . +A 1 148 TRP 148 148 TRP TRP A . +A 1 149 GLU 149 149 GLU GLU A . +A 1 150 ALA 150 150 ALA ALA A . +A 1 151 ALA 151 151 ALA ALA A . +A 1 152 ARG 152 152 ARG ARG A . +A 1 153 GLU 153 153 GLU GLU A . +A 1 154 ALA 154 154 ALA ALA A . +A 1 155 GLU 155 155 GLU GLU A . +A 1 156 GLN 156 156 GLN GLN A . +A 1 157 ARG 157 157 ARG ARG A . +A 1 158 ARG 158 158 ARG ARG A . +A 1 159 ALA 159 159 ALA ALA A . +A 1 160 TYR 160 160 TYR TYR A . +A 1 161 LEU 161 161 LEU LEU A . +A 1 162 GLU 162 162 GLU GLU A . +A 1 163 GLY 163 163 GLY GLY A . +A 1 164 THR 164 164 THR THR A . +A 1 165 CYS 165 165 CYS CYS A . +A 1 166 VAL 166 166 VAL VAL A . +A 1 167 GLU 167 167 GLU GLU A . +A 1 168 TRP 168 168 TRP TRP A . +A 1 169 LEU 169 169 LEU LEU A . +A 1 170 ARG 170 170 ARG ARG A . +A 1 171 ARG 171 171 ARG ARG A . +A 1 172 TYR 172 172 TYR TYR A . +A 1 173 LEU 173 173 LEU LEU A . +A 1 174 GLU 174 174 GLU GLU A . +A 1 175 ASN 175 175 ASN ASN A . +A 1 176 GLY 176 176 GLY GLY A . +A 1 177 LYS 177 177 LYS LYS A . +A 1 178 GLU 178 178 GLU GLU A . +A 1 179 THR 179 179 THR THR A . +A 1 180 LEU 180 180 LEU LEU A . +A 1 181 GLN 181 181 GLN GLN A . +A 1 182 ARG 182 182 ARG ARG A . +A 1 183 ALA 183 183 ALA ALA A . +A 1 184 GLU 184 184 GLU GLU A . +A 1 185 HIS 185 185 HIS HIS A . +A 1 186 PRO 186 186 PRO PRO A . +A 1 187 LYS 187 187 LYS LYS A . +A 1 188 THR 188 188 THR THR A . +A 1 189 HIS 189 189 HIS HIS A . +A 1 190 VAL 190 190 VAL VAL A . +A 1 191 THR 191 191 THR THR A . +A 1 192 HIS 192 192 HIS HIS A . +A 1 193 HIS 193 193 HIS HIS A . +A 1 194 PRO 194 194 PRO PRO A . +A 1 195 VAL 195 195 VAL VAL A . +A 1 196 SER 196 196 SER SER A . +A 1 197 ASP 197 197 ASP ASP A . +A 1 198 HIS 198 198 HIS HIS A . +A 1 199 GLU 199 199 GLU GLU A . +A 1 200 ALA 200 200 ALA ALA A . +A 1 201 THR 201 201 THR THR A . +A 1 202 LEU 202 202 LEU LEU A . +A 1 203 ARG 203 203 ARG ARG A . +A 1 204 CYS 204 204 CYS CYS A . +A 1 205 TRP 205 205 TRP TRP A . +A 1 206 ALA 206 206 ALA ALA A . +A 1 207 LEU 207 207 LEU LEU A . +A 1 208 GLY 208 208 GLY GLY A . +A 1 209 PHE 209 209 PHE PHE A . +A 1 210 TYR 210 210 TYR TYR A . +A 1 211 PRO 211 211 PRO PRO A . +A 1 212 ALA 212 212 ALA ALA A . +A 1 213 GLU 213 213 GLU GLU A . +A 1 214 ILE 214 214 ILE ILE A . +A 1 215 THR 215 215 THR THR A . +A 1 216 LEU 216 216 LEU LEU A . +A 1 217 THR 217 217 THR THR A . +A 1 218 TRP 218 218 TRP TRP A . +A 1 219 GLN 219 219 GLN GLN A . +A 1 220 TRP 220 220 TRP TRP A . +A 1 221 ASP 221 221 ASP ASP A . +A 1 222 GLY 222 222 GLY GLY A . +A 1 223 GLU 223 223 GLU GLU A . +A 1 224 ASP 224 224 ASP ASP A . +A 1 225 GLN 225 225 GLN GLN A . +A 1 226 THR 226 226 THR THR A . +A 1 227 GLN 227 227 GLN GLN A . +A 1 228 ASP 228 228 ASP ASP A . +A 1 229 THR 229 229 THR THR A . +A 1 230 GLU 230 230 GLU GLU A . +A 1 231 LEU 231 231 LEU LEU A . +A 1 232 VAL 232 232 VAL VAL A . +A 1 233 GLU 233 233 GLU GLU A . +A 1 234 THR 234 234 THR THR A . +A 1 235 ARG 235 235 ARG ARG A . +A 1 236 PRO 236 236 PRO PRO A . +A 1 237 ALA 237 237 ALA ALA A . +A 1 238 GLY 238 238 GLY GLY A . +A 1 239 ASP 239 239 ASP ASP A . +A 1 240 GLY 240 240 GLY GLY A . +A 1 241 THR 241 241 THR THR A . +A 1 242 PHE 242 242 PHE PHE A . +A 1 243 GLN 243 243 GLN GLN A . +A 1 244 LYS 244 244 LYS LYS A . +A 1 245 TRP 245 245 TRP TRP A . +A 1 246 ALA 246 246 ALA ALA A . +A 1 247 ALA 247 247 ALA ALA A . +A 1 248 VAL 248 248 VAL VAL A . +A 1 249 VAL 249 249 VAL VAL A . +A 1 250 VAL 250 250 VAL VAL A . +A 1 251 PRO 251 251 PRO PRO A . +A 1 252 SER 252 252 SER SER A . +A 1 253 GLY 253 253 GLY GLY A . +A 1 254 GLU 254 254 GLU GLU A . +A 1 255 GLU 255 255 GLU GLU A . +A 1 256 GLN 256 256 GLN GLN A . +A 1 257 ARG 257 257 ARG ARG A . +A 1 258 TYR 258 258 TYR TYR A . +A 1 259 THR 259 259 THR THR A . +A 1 260 CYS 260 260 CYS CYS A . +A 1 261 HIS 261 261 HIS HIS A . +A 1 262 VAL 262 262 VAL VAL A . +A 1 263 GLN 263 263 GLN GLN A . +A 1 264 HIS 264 264 HIS HIS A . +A 1 265 GLU 265 265 GLU GLU A . +A 1 266 GLY 266 266 GLY GLY A . +A 1 267 LEU 267 267 LEU LEU A . +A 1 268 PRO 268 268 PRO PRO A . +A 1 269 GLU 269 269 GLU GLU A . +A 1 270 PRO 270 270 PRO PRO A . +A 1 271 LEU 271 271 LEU LEU A . +A 1 272 THR 272 272 THR THR A . +A 1 273 LEU 273 273 LEU LEU A . +A 1 274 ARG 274 274 ARG ARG A . +A 1 275 TRP 275 275 TRP TRP A . +A 1 276 GLU 276 276 GLU GLU A . +A 1 277 PRO 277 277 PRO PRO A . +B 2 1 ALA 1 1 ALA ALA B . +B 2 2 ILE 2 2 ILE ILE B . +B 2 3 GLN 3 3 GLN GLN B . +B 2 4 ARG 4 4 ARG ARG B . +B 2 5 THR 5 5 THR THR B . +B 2 6 PRO 6 6 PRO PRO B . +B 2 7 LYS 7 7 LYS LYS B . +B 2 8 ILE 8 8 ILE ILE B . +B 2 9 GLN 9 9 GLN GLN B . +B 2 10 VAL 10 10 VAL VAL B . +B 2 11 TYR 11 11 TYR TYR B . +B 2 12 SER 12 12 SER SER B . +B 2 13 ARG 13 13 ARG ARG B . +B 2 14 HIS 14 14 HIS HIS B . +B 2 15 PRO 15 15 PRO PRO B . +B 2 16 ALA 16 16 ALA ALA B . +B 2 17 GLU 17 17 GLU GLU B . +B 2 18 ASN 18 18 ASN ASN B . +B 2 19 GLY 19 19 GLY GLY B . +B 2 20 LYS 20 20 LYS LYS B . +B 2 21 SER 21 21 SER SER B . +B 2 22 ASN 22 22 ASN ASN B . +B 2 23 PHE 23 23 PHE PHE B . +B 2 24 LEU 24 24 LEU LEU B . +B 2 25 ASN 25 25 ASN ASN B . +B 2 26 CYS 26 26 CYS CYS B . +B 2 27 TYR 27 27 TYR TYR B . +B 2 28 VAL 28 28 VAL VAL B . +B 2 29 SER 29 29 SER SER B . +B 2 30 GLY 30 30 GLY GLY B . +B 2 31 PHE 31 31 PHE PHE B . +B 2 32 HIS 32 32 HIS HIS B . +B 2 33 PRO 33 33 PRO PRO B . +B 2 34 SER 34 34 SER SER B . +B 2 35 ASP 35 35 ASP ASP B . +B 2 36 ILE 36 36 ILE ILE B . +B 2 37 GLU 37 37 GLU GLU B . +B 2 38 VAL 38 38 VAL VAL B . +B 2 39 ASP 39 39 ASP ASP B . +B 2 40 LEU 40 40 LEU LEU B . +B 2 41 LEU 41 41 LEU LEU B . +B 2 42 LYS 42 42 LYS LYS B . +B 2 43 ASN 43 43 ASN ASN B . +B 2 44 GLY 44 44 GLY GLY B . +B 2 45 GLU 45 45 GLU GLU B . +B 2 46 ARG 46 46 ARG ARG B . +B 2 47 ILE 47 47 ILE ILE B . +B 2 48 GLU 48 48 GLU GLU B . +B 2 49 LYS 49 49 LYS LYS B . +B 2 50 VAL 50 50 VAL VAL B . +B 2 51 GLU 51 51 GLU GLU B . +B 2 52 HIS 52 52 HIS HIS B . +B 2 53 SER 53 53 SER SER B . +B 2 54 ASP 54 54 ASP ASP B . +B 2 55 LEU 55 55 LEU LEU B . +B 2 56 SER 56 56 SER SER B . +B 2 57 PHE 57 57 PHE PHE B . +B 2 58 SER 58 58 SER SER B . +B 2 59 LYS 59 59 LYS LYS B . +B 2 60 ASP 60 60 ASP ASP B . +B 2 61 TRP 61 61 TRP TRP B . +B 2 62 SER 62 62 SER SER B . +B 2 63 PHE 63 63 PHE PHE B . +B 2 64 TYR 64 64 TYR TYR B . +B 2 65 LEU 65 65 LEU LEU B . +B 2 66 LEU 66 66 LEU LEU B . +B 2 67 TYR 67 67 TYR TYR B . +B 2 68 TYR 68 68 TYR TYR B . +B 2 69 THR 69 69 THR THR B . +B 2 70 GLU 70 70 GLU GLU B . +B 2 71 PHE 71 71 PHE PHE B . +B 2 72 THR 72 72 THR THR B . +B 2 73 PRO 73 73 PRO PRO B . +B 2 74 THR 74 74 THR THR B . +B 2 75 GLU 75 75 GLU GLU B . +B 2 76 LYS 76 76 LYS LYS B . +B 2 77 ASP 77 77 ASP ASP B . +B 2 78 GLU 78 78 GLU GLU B . +B 2 79 TYR 79 79 TYR TYR B . +B 2 80 ALA 80 80 ALA ALA B . +B 2 81 CYS 81 81 CYS CYS B . +B 2 82 ARG 82 82 ARG ARG B . +B 2 83 VAL 83 83 VAL VAL B . +B 2 84 ASN 84 84 ASN ASN B . +B 2 85 HIS 85 85 HIS HIS B . +B 2 86 VAL 86 86 VAL VAL B . +B 2 87 THR 87 87 THR THR B . +B 2 88 LEU 88 88 LEU LEU B . +B 2 89 SER 89 89 SER SER B . +B 2 90 GLN 90 90 GLN GLN B . +B 2 91 PRO 91 91 PRO PRO B . +B 2 92 LYS 92 92 LYS LYS B . +B 2 93 ILE 93 93 ILE ILE B . +B 2 94 VAL 94 94 VAL VAL B . +B 2 95 LYS 95 95 LYS LYS B . +B 2 96 TRP 96 96 TRP TRP B . +B 2 97 ASP 97 97 ASP ASP B . +B 2 98 ARG 98 98 ARG ARG B . +B 2 99 ASP 99 99 ASP ASP B . +B 2 100 MET 100 100 MET MET B . +C 3 1 GLY 1 1 GLY GLY C . +C 3 2 ALA 2 2 ALA ALA C . +C 3 3 ALA 3 3 ALA ALA C . +C 3 4 LEU 4 4 LEU LEU C . +# +# +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.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +D 4 LIG4 1 1 1 LIG4 D . +# +# +loop_ +_ma_data.id +_ma_data.name +_ma_data.content_type +_ma_data.content_type_other_details +1 'Entity A' target . +2 'Entity B' target . +3 'Entity C' target . +4 'Entity D' target . +5 pred_model_1 'model coordinates' . +# +# +loop_ +_ma_target_entity.entity_id +_ma_target_entity.data_id +_ma_target_entity.origin +1 1 designed +2 2 designed +3 3 designed +4 4 designed +# +# +loop_ +_ma_target_entity_instance.asym_id +_ma_target_entity_instance.entity_id +_ma_target_entity_instance.details +A 1 'Chain A' +B 2 'Chain B' +C 3 'Chain C' +D 4 'Chain D' +# +# +loop_ +_ma_model_list.ordinal_id +_ma_model_list.model_name +_ma_model_list.data_id +_ma_model_list.model_type +_ma_model_list.model_type_other_details +1 pred_model_1 5 'Ab initio model' . +# +# +loop_ +_ma_model_group.id +_ma_model_group.name +_ma_model_group.details +1 pred . +# +# +loop_ +_ma_model_group_link.group_id +_ma_model_group_link.model_id +1 1 +# +# +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_seq_id +_atom_site.auth_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.label_entity_id +_atom_site.auth_asym_id +_atom_site.auth_comp_id +_atom_site.B_iso_or_equiv +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . ALA 1 1 ? A 1.261 1.038 -17.607 1.000 1 A ALA 58.709 1 +ATOM 2 C CA . ALA 1 1 ? A -7.020 7.797 -10.708 1.000 1 A ALA 62.744 1 +ATOM 3 C C . ALA 1 1 ? A -0.710 5.967 -8.594 1.000 1 A ALA 64.526 1 +ATOM 4 O O . ALA 1 1 ? A 3.483 0.641 -16.945 1.000 1 A ALA 60.243 1 +ATOM 5 C CB . ALA 1 1 ? A 0.764 1.930 -17.196 1.000 1 A ALA 55.986 1 +ATOM 6 N N . GLY 2 2 ? A -0.244 -1.344 -13.164 1.000 1 A GLY 67.924 1 +ATOM 7 C CA . GLY 2 2 ? A 1.348 -0.859 -14.276 1.000 1 A GLY 70.888 1 +ATOM 8 C C . GLY 2 2 ? A 2.908 7.620 -19.384 1.000 1 A GLY 75.176 1 +ATOM 9 O O . GLY 2 2 ? A 1.269 -0.676 -15.338 1.000 1 A GLY 71.112 1 +ATOM 10 N N . SER 3 3 ? A 0.073 1.513 -19.968 1.000 1 A SER 75.184 1 +ATOM 11 C CA . SER 3 3 ? A 10.147 -2.753 -8.900 1.000 1 A SER 79.941 1 +ATOM 12 C C . SER 3 3 ? A -2.846 -0.085 -17.721 1.000 1 A SER 83.236 1 +ATOM 13 O O . SER 3 3 ? A -1.365 0.924 -14.988 1.000 1 A SER 80.656 1 +ATOM 14 C CB . SER 3 3 ? A 1.251 -0.614 -14.629 1.000 1 A SER 75.496 1 +ATOM 15 O OG . SER 3 3 ? A 2.424 0.687 -13.681 1.000 1 A SER 69.077 1 +ATOM 16 N N . HIS 4 4 ? A 1.015 -1.641 -13.613 1.000 1 A HIS 86.391 1 +ATOM 17 C CA . HIS 4 4 ? A 0.068 -2.281 -12.609 1.000 1 A HIS 90.717 1 +ATOM 18 C C . HIS 4 4 ? A 0.367 -3.393 -11.666 1.000 1 A HIS 93.118 1 +ATOM 19 O O . HIS 4 4 ? A 0.919 -3.944 -10.826 1.000 1 A HIS 92.629 1 +ATOM 20 C CB . HIS 4 4 ? A -0.589 -2.043 -13.001 1.000 1 A HIS 90.051 1 +ATOM 21 C CG . HIS 4 4 ? A -1.191 -1.081 -13.520 1.000 1 A HIS 90.925 1 +ATOM 22 N ND1 . HIS 4 4 ? A -2.411 -1.802 -14.981 1.000 1 A HIS 88.785 1 +ATOM 23 C CD2 . HIS 4 4 ? A -2.578 0.074 -15.098 1.000 1 A HIS 87.825 1 +ATOM 24 C CE1 . HIS 4 4 ? A -3.693 -0.704 -16.713 1.000 1 A HIS 88.403 1 +ATOM 25 N NE2 . HIS 4 4 ? A -1.753 -0.648 -15.457 1.000 1 A HIS 88.648 1 +ATOM 26 N N . SER 5 5 ? A 0.676 -3.575 -11.680 1.000 1 A SER 92.475 1 +ATOM 27 C CA . SER 5 5 ? A 0.342 -4.331 -10.129 1.000 1 A SER 93.543 1 +ATOM 28 C C . SER 5 5 ? A 0.946 -5.267 -9.369 1.000 1 A SER 95.171 1 +ATOM 29 O O . SER 5 5 ? A -0.691 -4.399 -8.302 1.000 1 A SER 94.688 1 +ATOM 30 C CB . SER 5 5 ? A -0.993 -5.226 -10.343 1.000 1 A SER 91.628 1 +ATOM 31 O OG . SER 5 5 ? A -0.640 -9.116 -8.382 1.000 1 A SER 86.513 1 +ATOM 32 N N . MET 6 6 ? A -6.263 -5.530 -8.085 1.000 1 A MET 90.084 1 +ATOM 33 C CA . MET 6 6 ? A 1.024 -8.097 -10.438 1.000 1 A MET 94.253 1 +ATOM 34 C C . MET 6 6 ? A -4.654 -6.166 -7.687 1.000 1 A MET 94.996 1 +ATOM 35 O O . MET 6 6 ? A 2.281 -8.722 -9.056 1.000 1 A MET 95.012 1 +ATOM 36 C CB . MET 6 6 ? A -5.884 -7.209 -9.200 1.000 1 A MET 94.866 1 +ATOM 37 C CG . MET 6 6 ? A -3.779 -9.077 -9.707 1.000 1 A MET 94.424 1 +ATOM 38 S SD . MET 6 6 ? A -2.535 -11.484 -11.731 1.000 1 A MET 94.370 1 +ATOM 39 C CE . MET 6 6 ? A -4.506 -10.816 -12.453 1.000 1 A MET 84.011 1 +ATOM 40 N N . ARG 7 7 ? A -0.718 -8.701 -7.953 1.000 1 A ARG 94.270 1 +ATOM 41 C CA . ARG 7 7 ? A 2.346 -11.367 -4.821 1.000 1 A ARG 95.185 1 +ATOM 42 C C . ARG 7 7 ? A -1.931 -11.468 -5.783 1.000 1 A ARG 95.528 1 +ATOM 43 O O . ARG 7 7 ? A -2.943 -10.463 -5.153 1.000 1 A ARG 95.569 1 +ATOM 44 C CB . ARG 7 7 ? A -0.548 -10.170 -4.703 1.000 1 A ARG 93.055 1 +ATOM 45 C CG . ARG 7 7 ? A -3.229 -5.441 -6.184 1.000 1 A ARG 87.730 1 +ATOM 46 C CD . ARG 7 7 ? A -3.448 -6.584 -11.750 1.000 1 A ARG 82.419 1 +ATOM 47 N NE . ARG 7 7 ? A -0.607 -8.945 -8.755 1.000 1 A ARG 76.688 1 +ATOM 48 C CZ . ARG 7 7 ? A 3.590 -10.618 -2.769 1.000 1 A ARG 70.546 1 +ATOM 49 N NH1 . ARG 7 7 ? A 0.909 -5.748 -2.415 1.000 1 A ARG 64.949 1 +ATOM 50 N NH2 . ARG 7 7 ? A 2.998 -10.970 -2.786 1.000 1 A ARG 64.913 1 +ATOM 51 N N . TYR 8 8 ? A -9.824 -14.568 -5.380 1.000 1 A TYR 96.310 1 +ATOM 52 C CA . TYR 8 8 ? A -5.941 -13.183 2.977 1.000 1 A TYR 96.294 1 +ATOM 53 C C . TYR 8 8 ? A -5.766 -13.375 4.600 1.000 1 A TYR 95.869 1 +ATOM 54 O O . TYR 8 8 ? A 5.672 -7.670 -11.449 1.000 1 A TYR 95.735 1 +ATOM 55 C CB . TYR 8 8 ? A -2.547 -13.347 -3.958 1.000 1 A TYR 96.214 1 +ATOM 56 C CG . TYR 8 8 ? A -4.573 -13.551 -4.160 1.000 1 A TYR 94.572 1 +ATOM 57 C CD1 . TYR 8 8 ? A -2.732 -12.505 -5.222 1.000 1 A TYR 92.450 1 +ATOM 58 C CD2 . TYR 8 8 ? A -10.703 -13.718 -2.865 1.000 1 A TYR 91.690 1 +ATOM 59 C CE1 . TYR 8 8 ? A -9.267 -10.459 -1.262 1.000 1 A TYR 89.445 1 +ATOM 60 C CE2 . TYR 8 8 ? A -11.692 -13.716 -4.105 1.000 1 A TYR 90.260 1 +ATOM 61 C CZ . TYR 8 8 ? A 1.218 -7.498 -12.259 1.000 1 A TYR 89.142 1 +ATOM 62 O OH . TYR 8 8 ? A -5.470 -20.602 -9.398 1.000 1 A TYR 88.246 1 +ATOM 63 N N . PHE 9 9 ? A -3.305 -12.027 -1.924 1.000 1 A PHE 96.750 1 +ATOM 64 C CA . PHE 9 9 ? A -3.350 -13.131 -3.853 1.000 1 A PHE 96.976 1 +ATOM 65 C C . PHE 9 9 ? A -4.099 -13.577 -1.233 1.000 1 A PHE 96.631 1 +ATOM 66 O O . PHE 9 9 ? A -3.437 -13.886 -0.013 1.000 1 A PHE 95.717 1 +ATOM 67 C CB . PHE 9 9 ? A -2.920 -11.732 0.341 1.000 1 A PHE 96.922 1 +ATOM 68 C CG . PHE 9 9 ? A -3.792 -10.777 1.327 1.000 1 A PHE 97.293 1 +ATOM 69 C CD1 . PHE 9 9 ? A -2.126 -10.985 -2.497 1.000 1 A PHE 96.058 1 +ATOM 70 C CD2 . PHE 9 9 ? A -2.759 -12.396 -1.446 1.000 1 A PHE 95.884 1 +ATOM 71 C CE1 . PHE 9 9 ? A 0.296 -7.836 -2.124 1.000 1 A PHE 94.480 1 +ATOM 72 C CE2 . PHE 9 9 ? A 1.164 -6.557 -0.514 1.000 1 A PHE 93.974 1 +ATOM 73 C CZ . PHE 9 9 ? A -2.075 -10.402 2.010 1.000 1 A PHE 94.403 1 +ATOM 74 N N . SER 10 10 ? A 2.058 -11.275 -3.611 1.000 1 A SER 96.787 1 +ATOM 75 C CA . SER 10 10 ? A -4.496 -16.453 0.923 1.000 1 A SER 96.799 1 +ATOM 76 C C . SER 10 10 ? A -4.066 -17.532 2.284 1.000 1 A SER 96.915 1 +ATOM 77 O O . SER 10 10 ? A -4.247 -15.943 2.304 1.000 1 A SER 96.477 1 +ATOM 78 C CB . SER 10 10 ? A 1.031 -19.202 1.634 1.000 1 A SER 95.175 1 +ATOM 79 O OG . SER 10 10 ? A -8.089 -13.307 3.969 1.000 1 A SER 89.324 1 +ATOM 80 N N . THR 11 11 ? A -0.542 -9.044 9.482 1.000 1 A THR 93.639 1 +ATOM 81 C CA . THR 11 11 ? A -6.578 -18.051 8.599 1.000 1 A THR 93.896 1 +ATOM 82 C C . THR 11 11 ? A -4.184 -14.704 1.381 1.000 1 A THR 93.226 1 +ATOM 83 O O . THR 11 11 ? A -4.089 -15.214 -2.686 1.000 1 A THR 92.612 1 +ATOM 84 C CB . THR 11 11 ? A -4.274 -15.192 4.893 1.000 1 A THR 92.217 1 +ATOM 85 O OG1 . THR 11 11 ? A -2.439 -14.998 4.070 1.000 1 A THR 89.314 1 +ATOM 86 C CG2 . THR 11 11 ? A -3.594 -15.038 3.846 1.000 1 A THR 90.505 1 +ATOM 87 N N . SER 12 12 ? A -2.486 -19.813 8.544 1.000 1 A SER 93.016 1 +ATOM 88 C CA . SER 12 12 ? A -3.362 -19.019 7.031 1.000 1 A SER 93.010 1 +ATOM 89 C C . SER 12 12 ? A -4.683 -17.275 4.491 1.000 1 A SER 92.357 1 +ATOM 90 O O . SER 12 12 ? A -5.444 -17.344 5.512 1.000 1 A SER 92.988 1 +ATOM 91 C CB . SER 12 12 ? A -4.978 -18.487 4.439 1.000 1 A SER 92.249 1 +ATOM 92 O OG . SER 12 12 ? A -3.164 -22.035 9.492 1.000 1 A SER 89.137 1 +ATOM 93 N N . VAL 13 13 ? A -3.326 -19.662 7.798 1.000 1 A VAL 92.739 1 +ATOM 94 C CA . VAL 13 13 ? A -4.715 -14.880 13.725 1.000 1 A VAL 92.275 1 +ATOM 95 C C . VAL 13 13 ? A -4.950 -21.592 7.254 1.000 1 A VAL 91.042 1 +ATOM 96 O O . VAL 13 13 ? A -5.295 -20.897 8.521 1.000 1 A VAL 89.483 1 +ATOM 97 C CB . VAL 13 13 ? A 1.332 -22.108 8.859 1.000 1 A VAL 90.752 1 +ATOM 98 C CG1 . VAL 13 13 ? A 0.450 -19.429 7.559 1.000 1 A VAL 89.210 1 +ATOM 99 C CG2 . VAL 13 13 ? A -1.015 -19.069 9.577 1.000 1 A VAL 89.440 1 +ATOM 100 N N . SER 14 14 ? A 2.664 -29.302 12.020 1.000 1 A SER 88.208 1 +ATOM 101 C CA . SER 14 14 ? A -4.767 -17.369 13.785 1.000 1 A SER 87.293 1 +ATOM 102 C C . SER 14 14 ? A -5.061 -16.823 13.749 1.000 1 A SER 85.446 1 +ATOM 103 O O . SER 14 14 ? A -5.484 -20.404 10.709 1.000 1 A SER 82.349 1 +ATOM 104 C CB . SER 14 14 ? A 2.753 -32.112 12.792 1.000 1 A SER 85.787 1 +ATOM 105 O OG . SER 14 14 ? A -5.856 -22.929 9.491 1.000 1 A SER 84.926 1 +ATOM 106 N N . ARG 15 15 ? A 5.388 -22.657 16.516 1.000 1 A ARG 79.534 1 +ATOM 107 C CA . ARG 15 15 ? A 4.569 -18.915 18.894 1.000 1 A ARG 78.522 1 +ATOM 108 C C . ARG 15 15 ? A -13.040 -21.114 17.628 1.000 1 A ARG 78.906 1 +ATOM 109 O O . ARG 15 15 ? A 2.883 -23.972 16.914 1.000 1 A ARG 77.978 1 +ATOM 110 C CB . ARG 15 15 ? A -9.821 -24.093 13.685 1.000 1 A ARG 71.502 1 +ATOM 111 C CG . ARG 15 15 ? A -6.726 -16.172 9.127 1.000 1 A ARG 70.671 1 +ATOM 112 C CD . ARG 15 15 ? A -10.138 -20.430 5.436 1.000 1 A ARG 69.384 1 +ATOM 113 N NE . ARG 15 15 ? A -2.186 -21.069 14.698 1.000 1 A ARG 68.319 1 +ATOM 114 C CZ . ARG 15 15 ? A -7.537 -6.991 5.010 1.000 1 A ARG 65.993 1 +ATOM 115 N NH1 . ARG 15 15 ? A -2.973 -22.376 16.194 1.000 1 A ARG 61.582 1 +ATOM 116 N NH2 . ARG 15 15 ? A -9.660 -20.988 11.461 1.000 1 A ARG 61.184 1 +ATOM 117 N N . PRO 16 16 ? A -6.651 -17.586 11.497 1.000 1 A PRO 83.607 1 +ATOM 118 C CA . PRO 16 16 ? A -7.723 -16.850 16.169 1.000 1 A PRO 81.861 1 +ATOM 119 C C . PRO 16 16 ? A -3.490 -26.971 6.448 1.000 1 A PRO 81.696 1 +ATOM 120 O O . PRO 16 16 ? A -6.944 -24.104 12.951 1.000 1 A PRO 77.323 1 +ATOM 121 C CB . PRO 16 16 ? A -9.630 -19.704 16.946 1.000 1 A PRO 77.525 1 +ATOM 122 C CG . PRO 16 16 ? A -6.753 -21.893 15.098 1.000 1 A PRO 76.740 1 +ATOM 123 C CD . PRO 16 16 ? A -0.082 -25.594 17.429 1.000 1 A PRO 81.832 1 +ATOM 124 N N . GLY 17 17 ? A -13.367 -20.930 24.317 1.000 1 A GLY 83.519 1 +ATOM 125 C CA . GLY 17 17 ? A 2.159 -29.118 11.002 1.000 1 A GLY 80.434 1 +ATOM 126 C C . GLY 17 17 ? A 2.360 -29.093 10.529 1.000 1 A GLY 80.806 1 +ATOM 127 O O . GLY 17 17 ? A -13.061 -21.833 23.948 1.000 1 A GLY 74.837 1 +ATOM 128 N N . ARG 18 18 ? A -7.957 -19.853 18.502 1.000 1 A ARG 78.005 1 +ATOM 129 C CA . ARG 18 18 ? A -9.222 -23.108 17.898 1.000 1 A ARG 76.738 1 +ATOM 130 C C . ARG 18 18 ? A -8.652 -11.208 18.880 1.000 1 A ARG 77.119 1 +ATOM 131 O O . ARG 18 18 ? A -10.634 -26.493 15.199 1.000 1 A ARG 72.784 1 +ATOM 132 C CB . ARG 18 18 ? A -10.131 -24.631 16.505 1.000 1 A ARG 71.235 1 +ATOM 133 C CG . ARG 18 18 ? A -10.281 -20.667 16.371 1.000 1 A ARG 64.805 1 +ATOM 134 C CD . ARG 18 18 ? A -11.439 -20.216 17.484 1.000 1 A ARG 59.970 1 +ATOM 135 N NE . ARG 18 18 ? A -13.016 -21.383 14.549 1.000 1 A ARG 55.548 1 +ATOM 136 C CZ . ARG 18 18 ? A -18.707 -17.775 8.774 1.000 1 A ARG 50.409 1 +ATOM 137 N NH1 . ARG 18 18 ? A -10.525 -18.267 14.299 1.000 1 A ARG 48.367 1 +ATOM 138 N NH2 . ARG 18 18 ? A -4.127 -16.115 16.218 1.000 1 A ARG 44.858 1 +ATOM 139 N N . GLY 19 19 ? A -8.916 -23.358 13.483 1.000 1 A GLY 73.562 1 +ATOM 140 C CA . GLY 19 19 ? A -8.620 -24.990 12.791 1.000 1 A GLY 74.436 1 +ATOM 141 C C . GLY 19 19 ? A -10.128 -23.489 11.720 1.000 1 A GLY 77.862 1 +ATOM 142 O O . GLY 19 19 ? A -10.159 -24.507 14.733 1.000 1 A GLY 76.435 1 +ATOM 143 N N . GLU 20 20 ? A -8.643 -21.494 12.255 1.000 1 A GLU 76.522 1 +ATOM 144 C CA . GLU 20 20 ? A -14.947 -15.354 9.173 1.000 1 A GLU 78.475 1 +ATOM 145 C C . GLU 20 20 ? A -5.873 -22.021 15.166 1.000 1 A GLU 81.650 1 +ATOM 146 O O . GLU 20 20 ? A -12.627 -36.599 8.970 1.000 1 A GLU 82.342 1 +ATOM 147 C CB . GLU 20 20 ? A -9.292 -22.842 10.570 1.000 1 A GLU 74.130 1 +ATOM 148 C CG . GLU 20 20 ? A -9.219 -21.932 8.736 1.000 1 A GLU 67.547 1 +ATOM 149 C CD . GLU 20 20 ? A -8.973 -24.753 8.288 1.000 1 A GLU 62.366 1 +ATOM 150 O OE1 . GLU 20 20 ? A -8.044 -23.598 8.785 1.000 1 A GLU 62.025 1 +ATOM 151 O OE2 . GLU 20 20 ? A -10.109 -34.162 6.393 1.000 1 A GLU 58.976 1 +ATOM 152 N N . PRO 21 21 ? A -10.868 -24.575 7.940 1.000 1 A PRO 73.787 1 +ATOM 153 C CA . PRO 21 21 ? A -11.120 -19.153 4.346 1.000 1 A PRO 77.215 1 +ATOM 154 C C . PRO 21 21 ? A -9.343 -21.436 7.453 1.000 1 A PRO 79.578 1 +ATOM 155 O O . PRO 21 21 ? A -10.589 -17.903 6.098 1.000 1 A PRO 77.324 1 +ATOM 156 C CB . PRO 21 21 ? A -10.543 -20.053 4.517 1.000 1 A PRO 70.970 1 +ATOM 157 C CG . PRO 21 21 ? A -9.928 -22.643 6.849 1.000 1 A PRO 70.004 1 +ATOM 158 C CD . PRO 21 21 ? A -10.490 -20.647 7.371 1.000 1 A PRO 74.726 1 +ATOM 159 N N . ARG 22 22 ? A -14.345 -18.208 6.566 1.000 1 A ARG 81.072 1 +ATOM 160 C CA . ARG 22 22 ? A -16.604 -15.694 6.076 1.000 1 A ARG 85.486 1 +ATOM 161 C C . ARG 22 22 ? A -10.598 -17.011 5.621 1.000 1 A ARG 87.722 1 +ATOM 162 O O . ARG 22 22 ? A -10.104 -17.177 7.762 1.000 1 A ARG 86.395 1 +ATOM 163 C CB . ARG 22 22 ? A 1.629 -19.395 8.390 1.000 1 A ARG 81.719 1 +ATOM 164 C CG . ARG 22 22 ? A -16.296 -14.883 7.716 1.000 1 A ARG 80.673 1 +ATOM 165 C CD . ARG 22 22 ? A -1.923 -21.525 8.112 1.000 1 A ARG 75.902 1 +ATOM 166 N NE . ARG 22 22 ? A -19.032 -13.474 7.136 1.000 1 A ARG 72.685 1 +ATOM 167 C CZ . ARG 22 22 ? A -4.810 -24.621 8.430 1.000 1 A ARG 69.013 1 +ATOM 168 N NH1 . ARG 22 22 ? A -16.226 -14.458 11.071 1.000 1 A ARG 63.902 1 +ATOM 169 N NH2 . ARG 22 22 ? A -11.865 -17.168 11.424 1.000 1 A ARG 64.600 1 +ATOM 170 N N . PHE 23 23 ? A -6.175 -17.690 5.058 1.000 1 A PHE 88.894 1 +ATOM 171 C CA . PHE 23 23 ? A -9.941 -17.911 7.965 1.000 1 A PHE 92.214 1 +ATOM 172 C C . PHE 23 23 ? A -11.871 -17.655 8.894 1.000 1 A PHE 92.808 1 +ATOM 173 O O . PHE 23 23 ? A -5.017 -14.199 3.351 1.000 1 A PHE 92.470 1 +ATOM 174 C CB . PHE 23 23 ? A -10.232 -18.936 6.628 1.000 1 A PHE 93.239 1 +ATOM 175 C CG . PHE 23 23 ? A 0.969 -15.431 1.821 1.000 1 A PHE 94.650 1 +ATOM 176 C CD1 . PHE 23 23 ? A -10.010 -21.361 4.158 1.000 1 A PHE 93.145 1 +ATOM 177 C CD2 . PHE 23 23 ? A -9.288 -14.557 0.533 1.000 1 A PHE 93.398 1 +ATOM 178 C CE1 . PHE 23 23 ? A -10.981 -19.899 1.821 1.000 1 A PHE 92.854 1 +ATOM 179 C CE2 . PHE 23 23 ? A -9.735 -16.755 0.269 1.000 1 A PHE 93.223 1 +ATOM 180 C CZ . PHE 23 23 ? A -6.879 -18.311 -0.699 1.000 1 A PHE 92.833 1 +ATOM 181 N N . ILE 24 24 ? A -8.910 -17.266 4.096 1.000 1 A ILE 91.196 1 +ATOM 182 C CA . ILE 24 24 ? A -9.896 -16.185 3.396 1.000 1 A ILE 93.244 1 +ATOM 183 C C . ILE 24 24 ? A -9.081 -16.017 1.644 1.000 1 A ILE 94.611 1 +ATOM 184 O O . ILE 24 24 ? A -9.211 -15.695 0.967 1.000 1 A ILE 94.271 1 +ATOM 185 C CB . ILE 24 24 ? A -10.001 -15.358 2.975 1.000 1 A ILE 90.961 1 +ATOM 186 C CG1 . ILE 24 24 ? A -10.993 -15.083 4.292 1.000 1 A ILE 89.516 1 +ATOM 187 C CG2 . ILE 24 24 ? A -9.081 -14.164 3.064 1.000 1 A ILE 88.712 1 +ATOM 188 C CD1 . ILE 24 24 ? A -11.109 -14.375 4.904 1.000 1 A ILE 78.894 1 +ATOM 189 N N . ALA 25 25 ? A -9.016 -14.556 0.459 1.000 1 A ALA 94.696 1 +ATOM 190 C CA . ALA 25 25 ? A -7.581 -14.868 -1.362 1.000 1 A ALA 96.086 1 +ATOM 191 C C . ALA 25 25 ? A -8.134 -13.104 -1.067 1.000 1 A ALA 96.763 1 +ATOM 192 O O . ALA 25 25 ? A -9.629 -12.679 -0.479 1.000 1 A ALA 96.541 1 +ATOM 193 C CB . ALA 25 25 ? A -9.162 -15.270 -1.435 1.000 1 A ALA 95.911 1 +ATOM 194 N N . VAL 26 26 ? A -7.902 -10.185 -1.636 1.000 1 A VAL 97.541 1 +ATOM 195 C CA . VAL 26 26 ? A -8.585 -10.957 -1.154 1.000 1 A VAL 97.825 1 +ATOM 196 C C . VAL 26 26 ? A -7.608 -10.497 -3.108 1.000 1 A VAL 97.931 1 +ATOM 197 O O . VAL 26 26 ? A -6.172 -11.125 -3.974 1.000 1 A VAL 97.822 1 +ATOM 198 C CB . VAL 26 26 ? A -8.863 -7.825 -1.743 1.000 1 A VAL 97.256 1 +ATOM 199 C CG1 . VAL 26 26 ? A -7.981 -11.847 -0.611 1.000 1 A VAL 92.082 1 +ATOM 200 C CG2 . VAL 26 26 ? A -6.393 -10.395 -0.475 1.000 1 A VAL 93.514 1 +ATOM 201 N N . GLY 27 27 ? A -7.347 -9.721 -3.953 1.000 1 A GLY 96.747 1 +ATOM 202 C CA . GLY 27 27 ? A -14.040 -9.729 -8.486 1.000 1 A GLY 96.985 1 +ATOM 203 C C . GLY 27 27 ? A -3.291 -8.423 -3.575 1.000 1 A GLY 96.879 1 +ATOM 204 O O . GLY 27 27 ? A -2.359 -8.367 -3.653 1.000 1 A GLY 96.315 1 +ATOM 205 N N . TYR 28 28 ? A -8.986 -3.464 -3.048 1.000 1 A TYR 96.243 1 +ATOM 206 C CA . TYR 28 28 ? A -7.501 -6.074 -3.858 1.000 1 A TYR 95.241 1 +ATOM 207 C C . TYR 28 28 ? A -2.485 -14.431 -8.643 1.000 1 A TYR 94.871 1 +ATOM 208 O O . TYR 28 28 ? A -5.016 -7.236 -6.285 1.000 1 A TYR 94.837 1 +ATOM 209 C CB . TYR 28 28 ? A -6.686 -6.290 -4.312 1.000 1 A TYR 94.915 1 +ATOM 210 C CG . TYR 28 28 ? A -10.123 -4.461 -0.421 1.000 1 A TYR 96.060 1 +ATOM 211 C CD1 . TYR 28 28 ? A -5.246 -5.437 -2.452 1.000 1 A TYR 95.213 1 +ATOM 212 C CD2 . TYR 28 28 ? A -6.832 -4.389 -3.565 1.000 1 A TYR 94.500 1 +ATOM 213 C CE1 . TYR 28 28 ? A -5.172 -4.659 -2.147 1.000 1 A TYR 92.643 1 +ATOM 214 C CE2 . TYR 28 28 ? A -7.648 -3.222 -2.240 1.000 1 A TYR 92.604 1 +ATOM 215 C CZ . TYR 28 28 ? A -5.893 -3.216 -2.349 1.000 1 A TYR 92.749 1 +ATOM 216 O OH . TYR 28 28 ? A -5.876 -2.409 -1.235 1.000 1 A TYR 88.838 1 +ATOM 217 N N . VAL 29 29 ? A -6.768 -6.564 -8.231 1.000 1 A VAL 95.575 1 +ATOM 218 C CA . VAL 29 29 ? A -13.173 -2.808 -11.422 1.000 1 A VAL 94.866 1 +ATOM 219 C C . VAL 29 29 ? A -0.689 -2.264 -8.517 1.000 1 A VAL 92.171 1 +ATOM 220 O O . VAL 29 29 ? A -3.608 -5.452 -8.083 1.000 1 A VAL 91.669 1 +ATOM 221 C CB . VAL 29 29 ? A -7.206 -7.425 -12.118 1.000 1 A VAL 95.141 1 +ATOM 222 C CG1 . VAL 29 29 ? A 3.648 4.604 -10.969 1.000 1 A VAL 95.190 1 +ATOM 223 C CG2 . VAL 29 29 ? A -5.255 -7.941 -10.630 1.000 1 A VAL 93.688 1 +ATOM 224 N N . ASP 30 30 ? A -4.556 -3.160 -7.206 1.000 1 A ASP 92.393 1 +ATOM 225 C CA . ASP 30 30 ? A -3.021 0.333 -7.908 1.000 1 A ASP 90.133 1 +ATOM 226 C C . ASP 30 30 ? A -3.874 -3.549 -5.469 1.000 1 A ASP 89.762 1 +ATOM 227 O O . ASP 30 30 ? A -3.378 -2.019 -9.406 1.000 1 A ASP 84.255 1 +ATOM 228 C CB . ASP 30 30 ? A -2.120 -1.413 -7.582 1.000 1 A ASP 87.645 1 +ATOM 229 C CG . ASP 30 30 ? A -0.881 -4.244 -11.433 1.000 1 A ASP 90.224 1 +ATOM 230 O OD1 . ASP 30 30 ? A -3.482 -1.252 -8.318 1.000 1 A ASP 87.492 1 +ATOM 231 O OD2 . ASP 30 30 ? A -2.738 0.220 -10.324 1.000 1 A ASP 86.616 1 +ATOM 232 N N . ASP 31 31 ? A -1.249 -1.701 -6.193 1.000 1 A ASP 86.150 1 +ATOM 233 C CA . ASP 31 31 ? A -3.400 -1.773 -4.799 1.000 1 A ASP 85.967 1 +ATOM 234 C C . ASP 31 31 ? A -7.237 2.865 -7.757 1.000 1 A ASP 87.484 1 +ATOM 235 O O . ASP 31 31 ? A -4.830 -1.722 -3.002 1.000 1 A ASP 86.958 1 +ATOM 236 C CB . ASP 31 31 ? A -1.329 -1.506 -5.045 1.000 1 A ASP 83.419 1 +ATOM 237 C CG . ASP 31 31 ? A -1.893 -0.065 -2.753 1.000 1 A ASP 84.882 1 +ATOM 238 O OD1 . ASP 31 31 ? A -6.047 6.527 -7.532 1.000 1 A ASP 82.330 1 +ATOM 239 O OD2 . ASP 31 31 ? A 0.181 -1.263 -2.831 1.000 1 A ASP 81.183 1 +ATOM 240 N N . THR 32 32 ? A -16.255 6.427 -10.254 1.000 1 A THR 90.933 1 +ATOM 241 C CA . THR 32 32 ? A -8.903 -5.055 -6.497 1.000 1 A THR 92.457 1 +ATOM 242 C C . THR 32 32 ? A 4.012 -5.235 -3.056 1.000 1 A THR 94.228 1 +ATOM 243 O O . THR 32 32 ? A -14.236 0.280 -7.203 1.000 1 A THR 94.437 1 +ATOM 244 C CB . THR 32 32 ? A -12.424 -0.363 -7.429 1.000 1 A THR 91.869 1 +ATOM 245 O OG1 . THR 32 32 ? A -1.356 -7.837 -5.273 1.000 1 A THR 89.170 1 +ATOM 246 C CG2 . THR 32 32 ? A -1.817 0.592 -5.888 1.000 1 A THR 91.402 1 +ATOM 247 N N . GLN 33 33 ? A -7.322 -0.456 -6.638 1.000 1 A GLN 93.775 1 +ATOM 248 C CA . GLN 33 33 ? A -6.310 -4.901 -4.584 1.000 1 A GLN 95.957 1 +ATOM 249 C C . GLN 33 33 ? A -7.724 -5.358 -4.744 1.000 1 A GLN 96.315 1 +ATOM 250 O O . GLN 33 33 ? A -8.852 -5.294 -4.384 1.000 1 A GLN 95.275 1 +ATOM 251 C CB . GLN 33 33 ? A -5.429 -5.447 -1.740 1.000 1 A GLN 95.836 1 +ATOM 252 C CG . GLN 33 33 ? A -7.511 -4.547 -2.417 1.000 1 A GLN 95.074 1 +ATOM 253 C CD . GLN 33 33 ? A -9.892 -0.353 0.315 1.000 1 A GLN 94.549 1 +ATOM 254 O OE1 . GLN 33 33 ? A -8.499 -5.589 -2.265 1.000 1 A GLN 86.415 1 +ATOM 255 N NE2 . GLN 33 33 ? A -9.790 -9.231 -3.788 1.000 1 A GLN 84.234 1 +ATOM 256 N N . PHE 34 34 ? A -2.232 -6.138 -4.739 1.000 1 A PHE 96.730 1 +ATOM 257 C CA . PHE 34 34 ? A -15.928 -14.166 -4.354 1.000 1 A PHE 96.806 1 +ATOM 258 C C . PHE 34 34 ? A -9.892 -8.608 -5.707 1.000 1 A PHE 96.752 1 +ATOM 259 O O . PHE 34 34 ? A -9.846 -6.035 -5.018 1.000 1 A PHE 96.159 1 +ATOM 260 C CB . PHE 34 34 ? A -19.563 -5.417 -13.676 1.000 1 A PHE 96.909 1 +ATOM 261 C CG . PHE 34 34 ? A -9.550 -7.215 -7.374 1.000 1 A PHE 97.524 1 +ATOM 262 C CD1 . PHE 34 34 ? A -12.940 -6.940 -5.068 1.000 1 A PHE 97.074 1 +ATOM 263 C CD2 . PHE 34 34 ? A -5.831 -7.600 -9.753 1.000 1 A PHE 97.023 1 +ATOM 264 C CE1 . PHE 34 34 ? A -13.125 -6.389 -5.780 1.000 1 A PHE 96.643 1 +ATOM 265 C CE2 . PHE 34 34 ? A -13.778 -8.433 -3.484 1.000 1 A PHE 96.557 1 +ATOM 266 C CZ . PHE 34 34 ? A -4.365 -8.997 -14.341 1.000 1 A PHE 96.635 1 +ATOM 267 N N . VAL 35 35 ? A -11.722 -6.402 -3.615 1.000 1 A VAL 97.284 1 +ATOM 268 C CA . VAL 35 35 ? A -11.585 -7.683 -3.253 1.000 1 A VAL 97.262 1 +ATOM 269 C C . VAL 35 35 ? A -11.788 -8.532 -2.863 1.000 1 A VAL 97.154 1 +ATOM 270 O O . VAL 35 35 ? A -11.605 -8.104 -3.866 1.000 1 A VAL 97.130 1 +ATOM 271 C CB . VAL 35 35 ? A -11.457 -8.108 -4.035 1.000 1 A VAL 97.167 1 +ATOM 272 C CG1 . VAL 35 35 ? A -12.953 -7.867 -4.188 1.000 1 A VAL 96.470 1 +ATOM 273 C CG2 . VAL 35 35 ? A -12.044 -7.745 -3.471 1.000 1 A VAL 96.163 1 +ATOM 274 N N . ARG 36 36 ? A -12.769 -10.563 -3.851 1.000 1 A ARG 93.464 1 +ATOM 275 C CA . ARG 36 36 ? A -12.494 -10.931 -3.273 1.000 1 A ARG 93.340 1 +ATOM 276 C C . ARG 36 36 ? A -12.005 -9.864 -2.669 1.000 1 A ARG 93.663 1 +ATOM 277 O O . ARG 36 36 ? A -11.126 -8.992 -3.144 1.000 1 A ARG 94.259 1 +ATOM 278 C CB . ARG 36 36 ? A -12.605 -11.466 -4.101 1.000 1 A ARG 88.966 1 +ATOM 279 C CG . ARG 36 36 ? A -13.187 -12.543 -3.241 1.000 1 A ARG 85.286 1 +ATOM 280 C CD . ARG 36 36 ? A -11.322 -12.959 -2.744 1.000 1 A ARG 82.301 1 +ATOM 281 N NE . ARG 36 36 ? A -20.381 -7.758 2.826 1.000 1 A ARG 76.283 1 +ATOM 282 C CZ . ARG 36 36 ? A -14.564 -6.709 3.577 1.000 1 A ARG 71.996 1 +ATOM 283 N NH1 . ARG 36 36 ? A -21.112 -11.252 -0.345 1.000 1 A ARG 67.285 1 +ATOM 284 N NH2 . ARG 36 36 ? A -6.852 -12.756 -0.349 1.000 1 A ARG 63.357 1 +ATOM 285 N N . PHE 37 37 ? A -16.761 -12.348 1.450 1.000 1 A PHE 95.821 1 +ATOM 286 C CA . PHE 37 37 ? A -14.728 -12.878 0.954 1.000 1 A PHE 95.901 1 +ATOM 287 C C . PHE 37 37 ? A -15.491 -13.315 2.888 1.000 1 A PHE 94.257 1 +ATOM 288 O O . PHE 37 37 ? A -14.961 -13.056 3.435 1.000 1 A PHE 94.476 1 +ATOM 289 C CB . PHE 37 37 ? A -17.384 -13.808 1.204 1.000 1 A PHE 96.463 1 +ATOM 290 C CG . PHE 37 37 ? A -12.892 -12.292 -0.629 1.000 1 A PHE 96.914 1 +ATOM 291 C CD1 . PHE 37 37 ? A -12.490 -11.469 -3.157 1.000 1 A PHE 96.538 1 +ATOM 292 C CD2 . PHE 37 37 ? A -13.839 -25.232 -0.269 1.000 1 A PHE 95.986 1 +ATOM 293 C CE1 . PHE 37 37 ? A -12.522 -10.710 -4.652 1.000 1 A PHE 95.513 1 +ATOM 294 C CE2 . PHE 37 37 ? A -10.356 -5.692 0.059 1.000 1 A PHE 95.426 1 +ATOM 295 C CZ . PHE 37 37 ? A -16.792 -22.244 -6.932 1.000 1 A PHE 95.522 1 +ATOM 296 N N . ASP 38 38 ? A -11.474 -15.900 0.590 1.000 1 A ASP 94.586 1 +ATOM 297 C CA . ASP 38 38 ? A -16.416 -8.960 7.842 1.000 1 A ASP 92.882 1 +ATOM 298 C C . ASP 38 38 ? A -16.913 -13.489 5.953 1.000 1 A ASP 91.765 1 +ATOM 299 O O . ASP 38 38 ? A -10.995 -18.528 1.355 1.000 1 A ASP 90.979 1 +ATOM 300 C CB . ASP 38 38 ? A -9.220 -16.471 2.397 1.000 1 A ASP 90.249 1 +ATOM 301 C CG . ASP 38 38 ? A -12.041 -14.385 6.209 1.000 1 A ASP 90.375 1 +ATOM 302 O OD1 . ASP 38 38 ? A -15.033 -8.618 -4.031 1.000 1 A ASP 88.670 1 +ATOM 303 O OD2 . ASP 38 38 ? A -13.049 -15.831 7.409 1.000 1 A ASP 86.245 1 +ATOM 304 N N . SER 39 39 ? A -11.838 -17.265 3.826 1.000 1 A SER 91.357 1 +ATOM 305 C CA . SER 39 39 ? A -14.283 -17.722 4.423 1.000 1 A SER 90.183 1 +ATOM 306 C C . SER 39 39 ? A -15.618 -16.864 5.545 1.000 1 A SER 89.034 1 +ATOM 307 O O . SER 39 39 ? A -16.739 -17.151 5.594 1.000 1 A SER 87.346 1 +ATOM 308 C CB . SER 39 39 ? A -14.555 -18.856 4.730 1.000 1 A SER 89.439 1 +ATOM 309 O OG . SER 39 39 ? A -13.714 -19.735 5.161 1.000 1 A SER 88.475 1 +ATOM 310 N N . ASP 40 40 ? A -14.943 -15.729 7.478 1.000 1 A ASP 88.197 1 +ATOM 311 C CA . ASP 40 40 ? A -16.252 -19.023 4.716 1.000 1 A ASP 86.990 1 +ATOM 312 C C . ASP 40 40 ? A -18.194 -13.023 7.199 1.000 1 A ASP 86.580 1 +ATOM 313 O O . ASP 40 40 ? A -16.494 -16.548 9.109 1.000 1 A ASP 83.639 1 +ATOM 314 C CB . ASP 40 40 ? A -15.737 -16.448 8.423 1.000 1 A ASP 84.499 1 +ATOM 315 C CG . ASP 40 40 ? A -13.631 -13.735 7.781 1.000 1 A ASP 84.803 1 +ATOM 316 O OD1 . ASP 40 40 ? A -14.143 -17.140 9.574 1.000 1 A ASP 78.354 1 +ATOM 317 O OD2 . ASP 40 40 ? A -14.504 -14.953 9.033 1.000 1 A ASP 77.752 1 +ATOM 318 N N . ALA 41 41 ? A -17.641 -13.811 7.428 1.000 1 A ALA 81.486 1 +ATOM 319 C CA . ALA 41 41 ? A -18.036 -13.296 6.414 1.000 1 A ALA 81.267 1 +ATOM 320 C C . ALA 41 41 ? A -18.168 -13.797 4.008 1.000 1 A ALA 83.000 1 +ATOM 321 O O . ALA 41 41 ? A -19.434 -14.861 6.204 1.000 1 A ALA 81.820 1 +ATOM 322 C CB . ALA 41 41 ? A -16.576 -13.753 4.842 1.000 1 A ALA 79.655 1 +ATOM 323 N N . ALA 42 42 ? A -22.062 -13.252 1.422 1.000 1 A ALA 84.165 1 +ATOM 324 C CA . ALA 42 42 ? A -20.978 -13.363 4.069 1.000 1 A ALA 84.340 1 +ATOM 325 C C . ALA 42 42 ? A -19.004 -13.873 4.353 1.000 1 A ALA 85.361 1 +ATOM 326 O O . ALA 42 42 ? A -17.897 -12.853 4.446 1.000 1 A ALA 80.296 1 +ATOM 327 C CB . ALA 42 42 ? A -22.997 -13.419 3.512 1.000 1 A ALA 80.617 1 +ATOM 328 N N . SER 43 43 ? A -19.095 -14.478 0.726 1.000 1 A SER 83.514 1 +ATOM 329 C CA . SER 43 43 ? A -20.662 -17.170 4.641 1.000 1 A SER 85.644 1 +ATOM 330 C C . SER 43 43 ? A -17.766 -14.696 0.889 1.000 1 A SER 88.921 1 +ATOM 331 O O . SER 43 43 ? A -21.070 -15.815 1.822 1.000 1 A SER 84.847 1 +ATOM 332 C CB . SER 43 43 ? A -17.824 -18.268 -0.062 1.000 1 A SER 80.045 1 +ATOM 333 O OG . SER 43 43 ? A -20.337 -15.592 2.751 1.000 1 A SER 69.791 1 +ATOM 334 N N . PRO 44 44 ? A -16.065 -11.818 -1.890 1.000 1 A PRO 78.360 1 +ATOM 335 C CA . PRO 44 44 ? A -14.788 -11.517 -1.712 1.000 1 A PRO 82.514 1 +ATOM 336 C C . PRO 44 44 ? A -15.937 -13.923 0.779 1.000 1 A PRO 84.638 1 +ATOM 337 O O . PRO 44 44 ? A -18.805 -17.811 2.520 1.000 1 A PRO 81.111 1 +ATOM 338 C CB . PRO 44 44 ? A -21.954 -20.897 0.109 1.000 1 A PRO 80.028 1 +ATOM 339 C CG . PRO 44 44 ? A -25.075 -23.067 -1.735 1.000 1 A PRO 78.702 1 +ATOM 340 C CD . PRO 44 44 ? A -14.127 -9.202 -4.786 1.000 1 A PRO 81.492 1 +ATOM 341 N N . ARG 45 45 ? A -19.609 -16.505 -0.589 1.000 1 A ARG 86.729 1 +ATOM 342 C CA . ARG 45 45 ? A -17.826 -17.121 0.101 1.000 1 A ARG 89.531 1 +ATOM 343 C C . ARG 45 45 ? A -16.288 -17.239 -0.807 1.000 1 A ARG 91.341 1 +ATOM 344 O O . ARG 45 45 ? A -16.341 -18.194 -0.064 1.000 1 A ARG 90.060 1 +ATOM 345 C CB . ARG 45 45 ? A -18.780 -16.237 0.653 1.000 1 A ARG 87.258 1 +ATOM 346 C CG . ARG 45 45 ? A -22.452 -15.587 2.040 1.000 1 A ARG 81.414 1 +ATOM 347 C CD . ARG 45 45 ? A -22.356 -14.552 1.845 1.000 1 A ARG 77.911 1 +ATOM 348 N NE . ARG 45 45 ? A -12.364 -17.675 -7.932 1.000 1 A ARG 74.614 1 +ATOM 349 C CZ . ARG 45 45 ? A -20.667 -11.002 -9.181 1.000 1 A ARG 69.034 1 +ATOM 350 N NH1 . ARG 45 45 ? A -32.451 -6.153 -8.375 1.000 1 A ARG 65.668 1 +ATOM 351 N NH2 . ARG 45 45 ? A -20.751 -15.033 -1.817 1.000 1 A ARG 65.898 1 +ATOM 352 N N . GLY 46 46 ? A -17.534 -12.842 -1.491 1.000 1 A GLY 95.760 1 +ATOM 353 C CA . GLY 46 46 ? A -17.238 -15.080 -5.370 1.000 1 A GLY 95.995 1 +ATOM 354 C C . GLY 46 46 ? A -16.859 -14.258 -5.662 1.000 1 A GLY 95.872 1 +ATOM 355 O O . GLY 46 46 ? A -15.846 -14.491 -5.814 1.000 1 A GLY 94.596 1 +ATOM 356 N N . GLU 47 47 ? A -17.661 -14.014 -6.047 1.000 1 A GLU 95.410 1 +ATOM 357 C CA . GLU 47 47 ? A -17.210 -12.419 -5.992 1.000 1 A GLU 94.356 1 +ATOM 358 C C . GLU 47 47 ? A -16.121 -11.564 -6.092 1.000 1 A GLU 94.942 1 +ATOM 359 O O . GLU 47 47 ? A -16.241 -10.707 -5.046 1.000 1 A GLU 94.557 1 +ATOM 360 C CB . GLU 47 47 ? A -17.313 -11.612 -4.643 1.000 1 A GLU 91.828 1 +ATOM 361 C CG . GLU 47 47 ? A -18.247 -10.892 -3.879 1.000 1 A GLU 89.026 1 +ATOM 362 C CD . GLU 47 47 ? A -19.214 -10.952 -2.595 1.000 1 A GLU 85.083 1 +ATOM 363 O OE1 . GLU 47 47 ? A -19.756 -12.283 -2.993 1.000 1 A GLU 79.278 1 +ATOM 364 O OE2 . GLU 47 47 ? A -19.642 -10.237 -2.105 1.000 1 A GLU 79.555 1 +ATOM 365 N N . PRO 48 48 ? A -18.495 -8.764 -8.239 1.000 1 A PRO 93.518 1 +ATOM 366 C CA . PRO 48 48 ? A -15.219 -10.394 -6.084 1.000 1 A PRO 93.265 1 +ATOM 367 C C . PRO 48 48 ? A -16.595 -8.213 -6.012 1.000 1 A PRO 91.612 1 +ATOM 368 O O . PRO 48 48 ? A -18.181 -6.628 -6.232 1.000 1 A PRO 89.399 1 +ATOM 369 C CB . PRO 48 48 ? A -19.394 -6.877 -9.045 1.000 1 A PRO 92.444 1 +ATOM 370 C CG . PRO 48 48 ? A -15.967 -9.817 -8.381 1.000 1 A PRO 91.840 1 +ATOM 371 C CD . PRO 48 48 ? A -14.107 -10.731 -7.918 1.000 1 A PRO 94.936 1 +ATOM 372 N N . ARG 49 49 ? A -14.969 -7.484 -5.375 1.000 1 A ARG 88.852 1 +ATOM 373 C CA . ARG 49 49 ? A -15.150 -7.308 -4.458 1.000 1 A ARG 87.480 1 +ATOM 374 C C . ARG 49 49 ? A -14.933 -5.231 -4.153 1.000 1 A ARG 87.061 1 +ATOM 375 O O . ARG 49 49 ? A -14.011 -5.495 -3.437 1.000 1 A ARG 82.827 1 +ATOM 376 C CB . ARG 49 49 ? A -14.966 -6.114 -3.888 1.000 1 A ARG 84.641 1 +ATOM 377 C CG . ARG 49 49 ? A -15.829 -5.237 -5.062 1.000 1 A ARG 86.630 1 +ATOM 378 C CD . ARG 49 49 ? A -15.861 -4.914 -3.924 1.000 1 A ARG 85.307 1 +ATOM 379 N NE . ARG 49 49 ? A -16.406 -4.854 -1.839 1.000 1 A ARG 79.234 1 +ATOM 380 C CZ . ARG 49 49 ? A -16.941 -5.326 -0.636 1.000 1 A ARG 71.508 1 +ATOM 381 N NH1 . ARG 49 49 ? A -15.401 -3.606 -2.139 1.000 1 A ARG 71.485 1 +ATOM 382 N NH2 . ARG 49 49 ? A -15.735 -3.652 -0.328 1.000 1 A ARG 68.888 1 +ATOM 383 N N . ALA 50 50 ? A -13.692 -1.052 -2.008 1.000 1 A ALA 90.035 1 +ATOM 384 C CA . ALA 50 50 ? A -13.969 -0.852 -4.014 1.000 1 A ALA 90.048 1 +ATOM 385 C C . ALA 50 50 ? A -14.161 -4.278 -6.970 1.000 1 A ALA 91.142 1 +ATOM 386 O O . ALA 50 50 ? A -15.605 -7.402 -9.357 1.000 1 A ALA 91.629 1 +ATOM 387 C CB . ALA 50 50 ? A -14.611 -3.411 -4.898 1.000 1 A ALA 89.837 1 +ATOM 388 N N . PRO 51 51 ? A -14.763 -0.786 -5.803 1.000 1 A PRO 92.691 1 +ATOM 389 C CA . PRO 51 51 ? A -15.886 -1.203 -6.240 1.000 1 A PRO 92.620 1 +ATOM 390 C C . PRO 51 51 ? A -16.043 -3.685 -7.402 1.000 1 A PRO 93.095 1 +ATOM 391 O O . PRO 51 51 ? A -17.633 0.416 -8.235 1.000 1 A PRO 91.896 1 +ATOM 392 C CB . PRO 51 51 ? A -16.408 -0.239 -5.979 1.000 1 A PRO 90.556 1 +ATOM 393 C CG . PRO 51 51 ? A -16.048 0.667 -5.432 1.000 1 A PRO 88.437 1 +ATOM 394 C CD . PRO 51 51 ? A -15.124 0.021 -4.823 1.000 1 A PRO 92.692 1 +ATOM 395 N N . TRP 52 52 ? A -13.082 -5.388 -6.913 1.000 1 A TRP 90.327 1 +ATOM 396 C CA . TRP 52 52 ? A -12.908 -4.085 -8.659 1.000 1 A TRP 90.988 1 +ATOM 397 C C . TRP 52 52 ? A -17.612 3.808 -17.492 1.000 1 A TRP 92.764 1 +ATOM 398 O O . TRP 52 52 ? A -13.392 -2.220 -11.550 1.000 1 A TRP 91.982 1 +ATOM 399 C CB . TRP 52 52 ? A -12.263 -3.602 -9.924 1.000 1 A TRP 89.547 1 +ATOM 400 C CG . TRP 52 52 ? A -10.122 -6.357 -8.190 1.000 1 A TRP 91.503 1 +ATOM 401 C CD1 . TRP 52 52 ? A -11.867 3.131 -11.963 1.000 1 A TRP 90.606 1 +ATOM 402 C CD2 . TRP 52 52 ? A -9.462 -3.834 -9.394 1.000 1 A TRP 92.878 1 +ATOM 403 N NE1 . TRP 52 52 ? A -10.054 -4.257 -8.181 1.000 1 A TRP 92.917 1 +ATOM 404 C CE2 . TRP 52 52 ? A -8.933 3.307 -11.886 1.000 1 A TRP 92.676 1 +ATOM 405 C CE3 . TRP 52 52 ? A -9.022 -6.627 -8.234 1.000 1 A TRP 93.964 1 +ATOM 406 C CZ2 . TRP 52 52 ? A -8.372 -7.140 -7.387 1.000 1 A TRP 93.676 1 +ATOM 407 C CZ3 . TRP 52 52 ? A -7.143 -8.485 -7.576 1.000 1 A TRP 94.320 1 +ATOM 408 C CH2 . TRP 52 52 ? A -7.711 -5.420 -8.680 1.000 1 A TRP 93.825 1 +ATOM 409 N N . VAL 53 53 ? A -15.940 -5.349 -12.273 1.000 1 A VAL 89.791 1 +ATOM 410 C CA . VAL 53 53 ? A -14.393 -3.729 -8.942 1.000 1 A VAL 89.381 1 +ATOM 411 C C . VAL 53 53 ? A -16.360 -7.192 -10.948 1.000 1 A VAL 89.046 1 +ATOM 412 O O . VAL 53 53 ? A -15.738 -3.370 -6.658 1.000 1 A VAL 86.037 1 +ATOM 413 C CB . VAL 53 53 ? A -10.421 2.069 -4.423 1.000 1 A VAL 86.324 1 +ATOM 414 C CG1 . VAL 53 53 ? A -15.052 -8.875 -18.161 1.000 1 A VAL 77.092 1 +ATOM 415 C CG2 . VAL 53 53 ? A -14.428 -8.646 -18.181 1.000 1 A VAL 79.739 1 +ATOM 416 N N . GLU 54 54 ? A -16.144 -4.136 -9.184 1.000 1 A GLU 89.820 1 +ATOM 417 C CA . GLU 54 54 ? A -15.504 -8.006 -12.231 1.000 1 A GLU 86.970 1 +ATOM 418 C C . GLU 54 54 ? A -17.214 -5.307 -9.325 1.000 1 A GLU 85.558 1 +ATOM 419 O O . GLU 54 54 ? A -17.895 -5.885 -11.833 1.000 1 A GLU 82.321 1 +ATOM 420 C CB . GLU 54 54 ? A -18.009 -5.858 -10.060 1.000 1 A GLU 84.147 1 +ATOM 421 C CG . GLU 54 54 ? A -18.982 -5.791 -9.329 1.000 1 A GLU 76.901 1 +ATOM 422 C CD . GLU 54 54 ? A -20.446 -4.215 -8.174 1.000 1 A GLU 74.565 1 +ATOM 423 O OE1 . GLU 54 54 ? A -20.516 -4.785 -10.627 1.000 1 A GLU 69.303 1 +ATOM 424 O OE2 . GLU 54 54 ? A -21.115 -6.898 -9.962 1.000 1 A GLU 66.499 1 +ATOM 425 N N . GLN 55 55 ? A -17.645 -7.946 -12.919 1.000 1 A GLN 88.987 1 +ATOM 426 C CA . GLN 55 55 ? A -21.142 0.244 -12.093 1.000 1 A GLN 86.073 1 +ATOM 427 C C . GLN 55 55 ? A -16.999 -10.373 -12.517 1.000 1 A GLN 89.015 1 +ATOM 428 O O . GLN 55 55 ? A -16.708 -11.718 -12.850 1.000 1 A GLN 87.632 1 +ATOM 429 C CB . GLN 55 55 ? A -19.602 -1.410 -13.447 1.000 1 A GLN 81.006 1 +ATOM 430 C CG . GLN 55 55 ? A -16.895 -7.155 -15.413 1.000 1 A GLN 78.977 1 +ATOM 431 C CD . GLN 55 55 ? A -21.528 -0.396 -12.156 1.000 1 A GLN 75.548 1 +ATOM 432 O OE1 . GLN 55 55 ? A -16.829 -6.385 -16.547 1.000 1 A GLN 71.405 1 +ATOM 433 N NE2 . GLN 55 55 ? A -16.233 -11.033 -14.302 1.000 1 A GLN 66.647 1 +ATOM 434 N N . GLU 56 56 ? A -19.080 -7.585 -16.130 1.000 1 A GLU 88.730 1 +ATOM 435 C CA . GLU 56 56 ? A -18.585 -8.262 -16.616 1.000 1 A GLU 90.759 1 +ATOM 436 C C . GLU 56 56 ? A -11.427 -5.350 -11.118 1.000 1 A GLU 90.490 1 +ATOM 437 O O . GLU 56 56 ? A -10.664 -15.299 -13.434 1.000 1 A GLU 86.715 1 +ATOM 438 C CB . GLU 56 56 ? A -24.910 -10.361 -22.735 1.000 1 A GLU 90.686 1 +ATOM 439 C CG . GLU 56 56 ? A -11.769 -5.044 -11.279 1.000 1 A GLU 89.340 1 +ATOM 440 C CD . GLU 56 56 ? A -17.639 -11.368 -17.779 1.000 1 A GLU 90.898 1 +ATOM 441 O OE1 . GLU 56 56 ? A -14.071 -8.069 -7.445 1.000 1 A GLU 84.811 1 +ATOM 442 O OE2 . GLU 56 56 ? A -15.881 -12.198 -16.329 1.000 1 A GLU 84.570 1 +ATOM 443 N N . GLY 57 57 ? A -20.325 -6.868 -17.136 1.000 1 A GLY 91.897 1 +ATOM 444 C CA . GLY 57 57 ? A -13.274 -17.209 -7.729 1.000 1 A GLY 90.460 1 +ATOM 445 C C . GLY 57 57 ? A -17.202 -14.170 -11.959 1.000 1 A GLY 92.394 1 +ATOM 446 O O . GLY 57 57 ? A -27.988 -5.303 -17.327 1.000 1 A GLY 92.154 1 +ATOM 447 N N . PRO 58 58 ? A -19.850 -12.840 -9.044 1.000 1 A PRO 89.747 1 +ATOM 448 C CA . PRO 58 58 ? A -16.617 -16.619 -10.351 1.000 1 A PRO 88.606 1 +ATOM 449 C C . PRO 58 58 ? A -20.487 -16.730 -15.265 1.000 1 A PRO 89.063 1 +ATOM 450 O O . PRO 58 58 ? A -16.188 -16.567 -7.185 1.000 1 A PRO 87.696 1 +ATOM 451 C CB . PRO 58 58 ? A -19.882 -7.779 -9.609 1.000 1 A PRO 84.869 1 +ATOM 452 C CG . PRO 58 58 ? A -24.759 -15.689 -16.324 1.000 1 A PRO 85.358 1 +ATOM 453 C CD . PRO 58 58 ? A -24.504 -13.937 -11.343 1.000 1 A PRO 90.719 1 +ATOM 454 N N . GLU 59 59 ? A -19.757 -20.860 -13.168 1.000 1 A GLU 90.015 1 +ATOM 455 C CA . GLU 59 59 ? A -19.538 -21.522 -13.765 1.000 1 A GLU 90.790 1 +ATOM 456 C C . GLU 59 59 ? A -18.639 -16.727 -13.851 1.000 1 A GLU 91.393 1 +ATOM 457 O O . GLU 59 59 ? A -17.987 -16.175 -15.063 1.000 1 A GLU 91.506 1 +ATOM 458 C CB . GLU 59 59 ? A -19.291 -16.811 -13.008 1.000 1 A GLU 89.521 1 +ATOM 459 C CG . GLU 59 59 ? A -19.289 -12.641 -10.467 1.000 1 A GLU 77.369 1 +ATOM 460 C CD . GLU 59 59 ? A -22.528 -16.345 -23.012 1.000 1 A GLU 65.213 1 +ATOM 461 O OE1 . GLU 59 59 ? A -21.511 -14.263 -11.343 1.000 1 A GLU 59.223 1 +ATOM 462 O OE2 . GLU 59 59 ? A -21.197 -13.441 -14.426 1.000 1 A GLU 57.175 1 +ATOM 463 N N . TYR 60 60 ? A -16.091 -16.001 -11.695 1.000 1 A TYR 91.339 1 +ATOM 464 C CA . TYR 60 60 ? A -16.263 -15.371 -14.260 1.000 1 A TYR 91.817 1 +ATOM 465 C C . TYR 60 60 ? A -14.324 -15.855 -11.803 1.000 1 A TYR 92.279 1 +ATOM 466 O O . TYR 60 60 ? A -13.946 -15.577 -10.504 1.000 1 A TYR 91.846 1 +ATOM 467 C CB . TYR 60 60 ? A -15.565 -14.548 -12.239 1.000 1 A TYR 92.381 1 +ATOM 468 C CG . TYR 60 60 ? A -13.641 -14.617 -11.855 1.000 1 A TYR 94.238 1 +ATOM 469 C CD1 . TYR 60 60 ? A -13.289 -15.447 -12.055 1.000 1 A TYR 93.151 1 +ATOM 470 C CD2 . TYR 60 60 ? A -13.533 -13.714 -11.271 1.000 1 A TYR 93.499 1 +ATOM 471 C CE1 . TYR 60 60 ? A -11.273 -16.016 -13.810 1.000 1 A TYR 92.650 1 +ATOM 472 C CE2 . TYR 60 60 ? A -12.497 -13.540 -11.649 1.000 1 A TYR 92.316 1 +ATOM 473 C CZ . TYR 60 60 ? A -12.531 -13.860 -12.902 1.000 1 A TYR 92.829 1 +ATOM 474 O OH . TYR 60 60 ? A -11.236 -14.638 -13.724 1.000 1 A TYR 91.805 1 +ATOM 475 N N . TRP 61 61 ? A -17.809 -16.137 -3.705 1.000 1 A TRP 89.452 1 +ATOM 476 C CA . TRP 61 61 ? A -18.325 -15.887 -4.383 1.000 1 A TRP 90.845 1 +ATOM 477 C C . TRP 61 61 ? A -17.391 -18.116 -9.455 1.000 1 A TRP 93.489 1 +ATOM 478 O O . TRP 61 61 ? A -21.087 -14.574 -7.092 1.000 1 A TRP 93.319 1 +ATOM 479 C CB . TRP 61 61 ? A -14.367 -20.169 -12.336 1.000 1 A TRP 89.371 1 +ATOM 480 C CG . TRP 61 61 ? A -14.839 -18.351 -15.336 1.000 1 A TRP 93.193 1 +ATOM 481 C CD1 . TRP 61 61 ? A -13.600 -13.710 -12.471 1.000 1 A TRP 90.667 1 +ATOM 482 C CD2 . TRP 61 61 ? A -16.430 -13.753 -9.228 1.000 1 A TRP 93.068 1 +ATOM 483 N NE1 . TRP 61 61 ? A -20.060 -11.075 -11.039 1.000 1 A TRP 93.836 1 +ATOM 484 C CE2 . TRP 61 61 ? A -15.477 -9.826 -6.365 1.000 1 A TRP 93.012 1 +ATOM 485 C CE3 . TRP 61 61 ? A -17.767 -12.239 -13.187 1.000 1 A TRP 95.088 1 +ATOM 486 C CZ2 . TRP 61 61 ? A -14.709 -7.427 -6.950 1.000 1 A TRP 94.978 1 +ATOM 487 C CZ3 . TRP 61 61 ? A -16.451 -11.591 -9.036 1.000 1 A TRP 95.060 1 +ATOM 488 C CH2 . TRP 61 61 ? A -15.539 -9.952 -8.406 1.000 1 A TRP 94.841 1 +ATOM 489 N N . ASP 62 62 ? A -18.906 -18.350 -8.584 1.000 1 A ASP 92.944 1 +ATOM 490 C CA . ASP 62 62 ? A -17.976 -18.837 -8.493 1.000 1 A ASP 92.728 1 +ATOM 491 C C . ASP 62 62 ? A -16.913 -19.324 -8.458 1.000 1 A ASP 93.202 1 +ATOM 492 O O . ASP 62 62 ? A -16.678 -20.131 -7.688 1.000 1 A ASP 93.394 1 +ATOM 493 C CB . ASP 62 62 ? A -18.564 -19.669 -9.737 1.000 1 A ASP 91.742 1 +ATOM 494 C CG . ASP 62 62 ? A -20.225 -19.803 -9.249 1.000 1 A ASP 85.950 1 +ATOM 495 O OD1 . ASP 62 62 ? A -20.610 -15.084 -10.129 1.000 1 A ASP 83.419 1 +ATOM 496 O OD2 . ASP 62 62 ? A -20.764 -20.997 -8.922 1.000 1 A ASP 81.919 1 +ATOM 497 N N . ARG 63 63 ? A -16.498 -26.067 -11.799 1.000 1 A ARG 94.201 1 +ATOM 498 C CA . ARG 63 63 ? A -15.285 -21.487 -11.086 1.000 1 A ARG 93.883 1 +ATOM 499 C C . ARG 63 63 ? A -14.098 -20.810 -9.934 1.000 1 A ARG 94.186 1 +ATOM 500 O O . ARG 63 63 ? A -14.358 -20.313 -8.772 1.000 1 A ARG 93.675 1 +ATOM 501 C CB . ARG 63 63 ? A -13.053 -14.532 -10.372 1.000 1 A ARG 92.704 1 +ATOM 502 C CG . ARG 63 63 ? A -15.830 -21.254 -11.807 1.000 1 A ARG 82.554 1 +ATOM 503 C CD . ARG 63 63 ? A -11.187 -9.225 -9.863 1.000 1 A ARG 73.700 1 +ATOM 504 N NE . ARG 63 63 ? A -16.510 -22.679 -13.981 1.000 1 A ARG 63.428 1 +ATOM 505 C CZ . ARG 63 63 ? A -19.902 -25.863 -14.338 1.000 1 A ARG 58.868 1 +ATOM 506 N NH1 . ARG 63 63 ? A -12.420 -18.320 -9.858 1.000 1 A ARG 52.861 1 +ATOM 507 N NH2 . ARG 63 63 ? A -14.213 -25.587 -20.179 1.000 1 A ARG 49.226 1 +ATOM 508 N N . GLU 64 64 ? A -8.253 -22.599 -3.139 1.000 1 A GLU 92.805 1 +ATOM 509 C CA . GLU 64 64 ? A -7.585 -21.362 -10.803 1.000 1 A GLU 94.099 1 +ATOM 510 C C . GLU 64 64 ? A -9.109 -19.812 -15.660 1.000 1 A GLU 95.531 1 +ATOM 511 O O . GLU 64 64 ? A -10.595 -17.492 -10.096 1.000 1 A GLU 95.239 1 +ATOM 512 C CB . GLU 64 64 ? A -11.196 -17.315 -6.513 1.000 1 A GLU 93.753 1 +ATOM 513 C CG . GLU 64 64 ? A -14.577 -15.179 -8.569 1.000 1 A GLU 92.056 1 +ATOM 514 C CD . GLU 64 64 ? A -18.310 -14.108 -12.038 1.000 1 A GLU 91.369 1 +ATOM 515 O OE1 . GLU 64 64 ? A -15.777 -9.900 -9.391 1.000 1 A GLU 84.661 1 +ATOM 516 O OE2 . GLU 64 64 ? A -7.787 -20.965 -11.986 1.000 1 A GLU 82.933 1 +ATOM 517 N N . THR 65 65 ? A -14.288 -19.136 -3.875 1.000 1 A THR 95.185 1 +ATOM 518 C CA . THR 65 65 ? A -13.415 -19.185 -4.329 1.000 1 A THR 96.057 1 +ATOM 519 C C . THR 65 65 ? A -13.752 -20.150 -3.420 1.000 1 A THR 95.904 1 +ATOM 520 O O . THR 65 65 ? A -18.954 -22.271 -11.789 1.000 1 A THR 95.630 1 +ATOM 521 C CB . THR 65 65 ? A -15.298 -18.472 -3.542 1.000 1 A THR 96.262 1 +ATOM 522 O OG1 . THR 65 65 ? A -15.306 -18.748 -2.973 1.000 1 A THR 95.006 1 +ATOM 523 C CG2 . THR 65 65 ? A -9.817 -15.307 -13.826 1.000 1 A THR 95.573 1 +ATOM 524 N N . GLN 66 66 ? A -11.534 -11.496 -9.362 1.000 1 A GLN 92.866 1 +ATOM 525 C CA . GLN 66 66 ? A -19.345 -18.141 -5.457 1.000 1 A GLN 92.271 1 +ATOM 526 C C . GLN 66 66 ? A -11.702 -24.053 -5.266 1.000 1 A GLN 90.858 1 +ATOM 527 O O . GLN 66 66 ? A -17.073 -21.732 -3.603 1.000 1 A GLN 91.779 1 +ATOM 528 C CB . GLN 66 66 ? A -9.025 -28.014 -7.607 1.000 1 A GLN 93.139 1 +ATOM 529 C CG . GLN 66 66 ? A -9.581 -27.645 -8.021 1.000 1 A GLN 82.543 1 +ATOM 530 C CD . GLN 66 66 ? A -15.758 -22.866 -4.633 1.000 1 A GLN 72.443 1 +ATOM 531 O OE1 . GLN 66 66 ? A -12.367 -20.281 -11.760 1.000 1 A GLN 65.220 1 +ATOM 532 N NE2 . GLN 66 66 ? A -14.935 -23.807 -4.369 1.000 1 A GLN 61.979 1 +ATOM 533 N N . LYS 67 67 ? A -8.972 -19.817 -6.286 1.000 1 A LYS 94.556 1 +ATOM 534 C CA . LYS 67 67 ? A -9.702 -20.959 -5.568 1.000 1 A LYS 93.266 1 +ATOM 535 C C . LYS 67 67 ? A -9.093 -20.438 -4.187 1.000 1 A LYS 94.496 1 +ATOM 536 O O . LYS 67 67 ? A -7.868 -20.389 -4.008 1.000 1 A LYS 93.642 1 +ATOM 537 C CB . LYS 67 67 ? A -9.234 -22.269 -6.146 1.000 1 A LYS 92.450 1 +ATOM 538 C CG . LYS 67 67 ? A -8.443 -23.456 -8.316 1.000 1 A LYS 89.438 1 +ATOM 539 C CD . LYS 67 67 ? A -9.699 -24.154 -8.823 1.000 1 A LYS 86.698 1 +ATOM 540 C CE . LYS 67 67 ? A -10.845 -22.371 -14.898 1.000 1 A LYS 83.451 1 +ATOM 541 N NZ . LYS 67 67 ? A -15.077 -24.629 -5.923 1.000 1 A LYS 82.258 1 +ATOM 542 N N . TYR 68 68 ? A -12.477 -25.810 -1.252 1.000 1 A TYR 90.896 1 +ATOM 543 C CA . TYR 68 68 ? A -15.173 -24.569 -0.878 1.000 1 A TYR 93.081 1 +ATOM 544 C C . TYR 68 68 ? A -11.288 -24.215 0.436 1.000 1 A TYR 93.404 1 +ATOM 545 O O . TYR 68 68 ? A -10.763 -17.884 -2.636 1.000 1 A TYR 92.676 1 +ATOM 546 C CB . TYR 68 68 ? A -11.020 -17.263 -4.218 1.000 1 A TYR 94.597 1 +ATOM 547 C CG . TYR 68 68 ? A -10.292 -22.274 -0.547 1.000 1 A TYR 95.938 1 +ATOM 548 C CD1 . TYR 68 68 ? A -10.004 -21.597 0.991 1.000 1 A TYR 93.960 1 +ATOM 549 C CD2 . TYR 68 68 ? A -10.351 -14.411 -6.362 1.000 1 A TYR 94.182 1 +ATOM 550 C CE1 . TYR 68 68 ? A -7.923 -21.675 1.814 1.000 1 A TYR 93.079 1 +ATOM 551 C CE2 . TYR 68 68 ? A -4.737 -22.965 -1.363 1.000 1 A TYR 93.131 1 +ATOM 552 C CZ . TYR 68 68 ? A -6.643 -7.222 -0.124 1.000 1 A TYR 93.255 1 +ATOM 553 O OH . TYR 68 68 ? A -18.501 -13.629 -11.361 1.000 1 A TYR 91.662 1 +ATOM 554 N N . LYS 69 69 ? A -13.012 -23.162 -1.991 1.000 1 A LYS 94.782 1 +ATOM 555 C CA . LYS 69 69 ? A -13.776 -24.470 -2.133 1.000 1 A LYS 94.037 1 +ATOM 556 C C . LYS 69 69 ? A -14.381 -23.541 -2.229 1.000 1 A LYS 93.430 1 +ATOM 557 O O . LYS 69 69 ? A -15.120 -23.452 -1.396 1.000 1 A LYS 92.733 1 +ATOM 558 C CB . LYS 69 69 ? A -13.813 -24.388 -3.715 1.000 1 A LYS 94.148 1 +ATOM 559 C CG . LYS 69 69 ? A -14.590 -25.673 -3.399 1.000 1 A LYS 93.607 1 +ATOM 560 C CD . LYS 69 69 ? A -14.649 -24.260 -2.770 1.000 1 A LYS 90.790 1 +ATOM 561 C CE . LYS 69 69 ? A -16.637 -26.671 -0.613 1.000 1 A LYS 86.193 1 +ATOM 562 N NZ . LYS 69 69 ? A -15.740 -25.944 0.446 1.000 1 A LYS 81.567 1 +ATOM 563 N N . ARG 70 70 ? A -8.734 -26.820 0.711 1.000 1 A ARG 92.566 1 +ATOM 564 C CA . ARG 70 70 ? A -7.931 -25.900 -1.179 1.000 1 A ARG 90.885 1 +ATOM 565 C C . ARG 70 70 ? A -7.050 -24.593 -0.879 1.000 1 A ARG 89.365 1 +ATOM 566 O O . ARG 70 70 ? A -8.223 -27.112 0.424 1.000 1 A ARG 89.930 1 +ATOM 567 C CB . ARG 70 70 ? A -14.581 -24.767 -8.345 1.000 1 A ARG 91.453 1 +ATOM 568 C CG . ARG 70 70 ? A -10.251 -24.871 -3.419 1.000 1 A ARG 81.906 1 +ATOM 569 C CD . ARG 70 70 ? A -10.621 -23.752 -5.469 1.000 1 A ARG 75.318 1 +ATOM 570 N NE . ARG 70 70 ? A -14.791 -23.383 -8.859 1.000 1 A ARG 67.143 1 +ATOM 571 C CZ . ARG 70 70 ? A -5.289 -32.688 -7.133 1.000 1 A ARG 57.533 1 +ATOM 572 N NH1 . ARG 70 70 ? A -17.108 -23.186 -7.143 1.000 1 A ARG 53.329 1 +ATOM 573 N NH2 . ARG 70 70 ? A -7.381 -29.767 -7.857 1.000 1 A ARG 51.000 1 +ATOM 574 N N . GLN 71 71 ? A -4.079 -21.555 -3.376 1.000 1 A GLN 93.151 1 +ATOM 575 C CA . GLN 71 71 ? A -6.467 -23.769 -1.379 1.000 1 A GLN 93.824 1 +ATOM 576 C C . GLN 71 71 ? A -7.972 -24.526 -0.771 1.000 1 A GLN 94.102 1 +ATOM 577 O O . GLN 71 71 ? A -6.793 -24.777 0.713 1.000 1 A GLN 94.634 1 +ATOM 578 C CB . GLN 71 71 ? A -6.675 -21.687 -2.324 1.000 1 A GLN 93.562 1 +ATOM 579 C CG . GLN 71 71 ? A -8.933 -25.451 -3.141 1.000 1 A GLN 90.230 1 +ATOM 580 C CD . GLN 71 71 ? A -5.439 -21.738 -1.057 1.000 1 A GLN 89.195 1 +ATOM 581 O OE1 . GLN 71 71 ? A -5.595 -21.455 0.028 1.000 1 A GLN 80.524 1 +ATOM 582 N NE2 . GLN 71 71 ? A -4.176 -21.181 -1.429 1.000 1 A GLN 76.745 1 +ATOM 583 N N . ALA 72 72 ? A -8.820 -24.712 1.268 1.000 1 A ALA 94.256 1 +ATOM 584 C CA . ALA 72 72 ? A -9.259 -24.239 2.065 1.000 1 A ALA 93.464 1 +ATOM 585 C C . ALA 72 72 ? A -7.587 -23.777 2.600 1.000 1 A ALA 92.623 1 +ATOM 586 O O . ALA 72 72 ? A -8.797 -25.231 3.676 1.000 1 A ALA 92.235 1 +ATOM 587 C CB . ALA 72 72 ? A -10.490 -24.225 2.446 1.000 1 A ALA 93.107 1 +ATOM 588 N N . GLN 73 73 ? A -7.520 -26.839 3.238 1.000 1 A GLN 92.435 1 +ATOM 589 C CA . GLN 73 73 ? A -7.277 -27.920 3.173 1.000 1 A GLN 91.910 1 +ATOM 590 C C . GLN 73 73 ? A -5.794 -27.740 3.163 1.000 1 A GLN 92.372 1 +ATOM 591 O O . GLN 73 73 ? A -5.283 -28.461 3.531 1.000 1 A GLN 92.501 1 +ATOM 592 C CB . GLN 73 73 ? A -7.454 -28.432 2.502 1.000 1 A GLN 91.377 1 +ATOM 593 C CG . GLN 73 73 ? A -8.021 -26.412 1.771 1.000 1 A GLN 80.953 1 +ATOM 594 C CD . GLN 73 73 ? A -10.251 -24.939 1.478 1.000 1 A GLN 71.357 1 +ATOM 595 O OE1 . GLN 73 73 ? A -10.379 -25.790 1.496 1.000 1 A GLN 69.684 1 +ATOM 596 N NE2 . GLN 73 73 ? A -10.808 -24.417 1.890 1.000 1 A GLN 65.112 1 +ATOM 597 N N . THR 74 74 ? A -5.681 -26.543 1.294 1.000 1 A THR 92.660 1 +ATOM 598 C CA . THR 74 74 ? A -6.774 -18.112 1.172 1.000 1 A THR 93.686 1 +ATOM 599 C C . THR 74 74 ? A -2.952 -26.394 1.876 1.000 1 A THR 94.270 1 +ATOM 600 O O . THR 74 74 ? A -2.157 -25.395 1.211 1.000 1 A THR 94.129 1 +ATOM 601 C CB . THR 74 74 ? A -4.161 -27.516 -0.866 1.000 1 A THR 93.247 1 +ATOM 602 O OG1 . THR 74 74 ? A -2.019 -29.993 -1.799 1.000 1 A THR 85.500 1 +ATOM 603 C CG2 . THR 74 74 ? A -6.379 -23.852 1.075 1.000 1 A THR 85.658 1 +ATOM 604 N N . ASP 75 75 ? A -4.501 -22.506 1.452 1.000 1 A ASP 92.764 1 +ATOM 605 C CA . ASP 75 75 ? A -2.675 -25.858 2.360 1.000 1 A ASP 92.459 1 +ATOM 606 C C . ASP 75 75 ? A -5.537 -24.843 6.374 1.000 1 A ASP 91.581 1 +ATOM 607 O O . ASP 75 75 ? A -2.377 -24.891 5.691 1.000 1 A ASP 91.747 1 +ATOM 608 C CB . ASP 75 75 ? A -3.885 -23.040 3.644 1.000 1 A ASP 92.118 1 +ATOM 609 C CG . ASP 75 75 ? A -1.914 -22.329 0.777 1.000 1 A ASP 93.570 1 +ATOM 610 O OD1 . ASP 75 75 ? A -3.515 -21.368 4.247 1.000 1 A ASP 90.193 1 +ATOM 611 O OD2 . ASP 75 75 ? A -1.590 -21.376 0.278 1.000 1 A ASP 89.033 1 +ATOM 612 N N . ARG 76 76 ? A -4.792 -25.538 5.528 1.000 1 A ARG 89.969 1 +ATOM 613 C CA . ARG 76 76 ? A -3.844 -25.873 7.181 1.000 1 A ARG 89.056 1 +ATOM 614 C C . ARG 76 76 ? A -3.596 -27.566 5.890 1.000 1 A ARG 88.994 1 +ATOM 615 O O . ARG 76 76 ? A -3.556 -28.741 5.737 1.000 1 A ARG 89.345 1 +ATOM 616 C CB . ARG 76 76 ? A -5.324 -27.458 4.797 1.000 1 A ARG 87.761 1 +ATOM 617 C CG . ARG 76 76 ? A -1.201 -27.396 12.835 1.000 1 A ARG 74.568 1 +ATOM 618 C CD . ARG 76 76 ? A -10.719 -27.420 3.504 1.000 1 A ARG 68.376 1 +ATOM 619 N NE . ARG 76 76 ? A -12.407 -26.646 2.293 1.000 1 A ARG 61.220 1 +ATOM 620 C CZ . ARG 76 76 ? A -1.424 -29.381 13.208 1.000 1 A ARG 53.901 1 +ATOM 621 N NH1 . ARG 76 76 ? A -7.490 -25.432 8.216 1.000 1 A ARG 53.884 1 +ATOM 622 N NH2 . ARG 76 76 ? A -10.169 -24.128 7.125 1.000 1 A ARG 48.100 1 +ATOM 623 N N . VAL 77 77 ? A -3.580 -28.654 5.673 1.000 1 A VAL 91.318 1 +ATOM 624 C CA . VAL 77 77 ? A -2.085 -29.148 5.441 1.000 1 A VAL 92.563 1 +ATOM 625 C C . VAL 77 77 ? A -1.724 -28.653 5.232 1.000 1 A VAL 93.696 1 +ATOM 626 O O . VAL 77 77 ? A -0.548 -28.794 4.664 1.000 1 A VAL 93.623 1 +ATOM 627 C CB . VAL 77 77 ? A -2.681 -30.072 4.384 1.000 1 A VAL 92.780 1 +ATOM 628 C CG1 . VAL 77 77 ? A -2.077 -31.284 4.507 1.000 1 A VAL 91.832 1 +ATOM 629 C CG2 . VAL 77 77 ? A -1.429 -29.587 3.365 1.000 1 A VAL 92.773 1 +ATOM 630 N N . SER 78 78 ? A -0.264 -28.630 4.411 1.000 1 A SER 93.661 1 +ATOM 631 C CA . SER 78 78 ? A 1.116 -28.313 3.998 1.000 1 A SER 94.783 1 +ATOM 632 C C . SER 78 78 ? A 1.836 -27.365 5.439 1.000 1 A SER 95.053 1 +ATOM 633 O O . SER 78 78 ? A 0.984 -27.118 4.200 1.000 1 A SER 95.595 1 +ATOM 634 C CB . SER 78 78 ? A -2.511 -22.074 6.443 1.000 1 A SER 95.002 1 +ATOM 635 O OG . SER 78 78 ? A 0.830 -30.499 1.172 1.000 1 A SER 89.544 1 +ATOM 636 N N . LEU 79 79 ? A 0.525 -25.725 6.445 1.000 1 A LEU 94.545 1 +ATOM 637 C CA . LEU 79 79 ? A 1.712 -25.048 7.122 1.000 1 A LEU 93.605 1 +ATOM 638 C C . LEU 79 79 ? A 0.114 -27.318 9.171 1.000 1 A LEU 93.014 1 +ATOM 639 O O . LEU 79 79 ? A 1.752 -26.904 9.361 1.000 1 A LEU 93.034 1 +ATOM 640 C CB . LEU 79 79 ? A -0.651 -25.398 9.200 1.000 1 A LEU 92.379 1 +ATOM 641 C CG . LEU 79 79 ? A 0.536 -23.641 8.457 1.000 1 A LEU 92.663 1 +ATOM 642 C CD1 . LEU 79 79 ? A -0.383 -23.271 9.676 1.000 1 A LEU 91.842 1 +ATOM 643 C CD2 . LEU 79 79 ? A 0.355 -23.224 7.253 1.000 1 A LEU 90.876 1 +ATOM 644 N N . ARG 80 80 ? A -0.697 -27.849 10.102 1.000 1 A ARG 90.087 1 +ATOM 645 C CA . ARG 80 80 ? A -0.090 -28.842 10.767 1.000 1 A ARG 89.899 1 +ATOM 646 C C . ARG 80 80 ? A 1.355 -29.500 9.558 1.000 1 A ARG 91.136 1 +ATOM 647 O O . ARG 80 80 ? A 2.393 -29.896 10.105 1.000 1 A ARG 92.030 1 +ATOM 648 C CB . ARG 80 80 ? A -1.219 -29.954 11.077 1.000 1 A ARG 89.373 1 +ATOM 649 C CG . ARG 80 80 ? A -2.105 -28.979 7.761 1.000 1 A ARG 77.597 1 +ATOM 650 C CD . ARG 80 80 ? A -1.424 -31.713 9.875 1.000 1 A ARG 71.426 1 +ATOM 651 N NE . ARG 80 80 ? A -2.469 -31.590 11.077 1.000 1 A ARG 64.019 1 +ATOM 652 C CZ . ARG 80 80 ? A -3.903 -31.243 10.135 1.000 1 A ARG 57.964 1 +ATOM 653 N NH1 . ARG 80 80 ? A -3.943 -30.476 8.733 1.000 1 A ARG 52.706 1 +ATOM 654 N NH2 . ARG 80 80 ? A -4.828 -31.126 11.415 1.000 1 A ARG 51.234 1 +ATOM 655 N N . ASN 81 81 ? A 1.941 -30.026 8.428 1.000 1 A ASN 89.085 1 +ATOM 656 C CA . ASN 81 81 ? A 2.699 -29.906 7.587 1.000 1 A ASN 90.801 1 +ATOM 657 C C . ASN 81 81 ? A 3.622 -29.448 8.148 1.000 1 A ASN 92.695 1 +ATOM 658 O O . ASN 81 81 ? A 4.387 -29.533 9.131 1.000 1 A ASN 92.316 1 +ATOM 659 C CB . ASN 81 81 ? A 2.150 -30.100 6.156 1.000 1 A ASN 91.512 1 +ATOM 660 C CG . ASN 81 81 ? A 1.953 -29.735 5.319 1.000 1 A ASN 93.254 1 +ATOM 661 O OD1 . ASN 81 81 ? A 1.482 -28.421 4.942 1.000 1 A ASN 89.469 1 +ATOM 662 N ND2 . ASN 81 81 ? A 2.167 -30.671 4.032 1.000 1 A ASN 88.498 1 +ATOM 663 N N . LEU 82 82 ? A 1.592 -29.272 8.988 1.000 1 A LEU 93.868 1 +ATOM 664 C CA . LEU 82 82 ? A 3.713 -26.817 9.306 1.000 1 A LEU 93.801 1 +ATOM 665 C C . LEU 82 82 ? A 4.094 -26.333 10.943 1.000 1 A LEU 93.342 1 +ATOM 666 O O . LEU 82 82 ? A 6.795 -25.271 12.297 1.000 1 A LEU 93.258 1 +ATOM 667 C CB . LEU 82 82 ? A 2.977 -25.649 7.517 1.000 1 A LEU 94.501 1 +ATOM 668 C CG . LEU 82 82 ? A 4.909 -25.260 6.995 1.000 1 A LEU 93.964 1 +ATOM 669 C CD1 . LEU 82 82 ? A 3.067 -24.969 4.366 1.000 1 A LEU 87.595 1 +ATOM 670 C CD2 . LEU 82 82 ? A 7.426 -23.139 9.135 1.000 1 A LEU 89.009 1 +ATOM 671 N N . ARG 83 83 ? A 3.991 -27.393 12.272 1.000 1 A ARG 87.097 1 +ATOM 672 C CA . ARG 83 83 ? A 4.284 -23.791 8.215 1.000 1 A ARG 84.864 1 +ATOM 673 C C . ARG 83 83 ? A 4.018 -28.937 13.097 1.000 1 A ARG 84.374 1 +ATOM 674 O O . ARG 83 83 ? A 6.263 -27.580 13.960 1.000 1 A ARG 84.993 1 +ATOM 675 C CB . ARG 83 83 ? A -0.074 -26.443 15.245 1.000 1 A ARG 80.889 1 +ATOM 676 C CG . ARG 83 83 ? A 0.653 -24.438 9.355 1.000 1 A ARG 73.723 1 +ATOM 677 C CD . ARG 83 83 ? A 0.806 -23.679 6.952 1.000 1 A ARG 72.175 1 +ATOM 678 N NE . ARG 83 83 ? A 3.693 -30.328 14.285 1.000 1 A ARG 68.549 1 +ATOM 679 C CZ . ARG 83 83 ? A 4.296 -30.945 16.182 1.000 1 A ARG 61.197 1 +ATOM 680 N NH1 . ARG 83 83 ? A 1.969 -25.299 7.637 1.000 1 A ARG 57.132 1 +ATOM 681 N NH2 . ARG 83 83 ? A 2.449 -29.583 15.543 1.000 1 A ARG 56.714 1 +ATOM 682 N N . GLY 84 84 ? A 4.889 -27.740 6.132 1.000 1 A GLY 91.717 1 +ATOM 683 C CA . GLY 84 84 ? A 3.377 -30.472 19.891 1.000 1 A GLY 92.460 1 +ATOM 684 C C . GLY 84 84 ? A 8.186 -28.486 13.235 1.000 1 A GLY 94.368 1 +ATOM 685 O O . GLY 84 84 ? A 7.366 -26.175 2.507 1.000 1 A GLY 93.418 1 +ATOM 686 N N . TYR 85 85 ? A 11.646 -27.488 10.893 1.000 1 A TYR 86.203 1 +ATOM 687 C CA . TYR 85 85 ? A 3.555 -28.207 11.250 1.000 1 A TYR 87.458 1 +ATOM 688 C C . TYR 85 85 ? A 9.594 -29.502 11.727 1.000 1 A TYR 89.765 1 +ATOM 689 O O . TYR 85 85 ? A 5.800 -29.815 11.783 1.000 1 A TYR 90.602 1 +ATOM 690 C CB . TYR 85 85 ? A 2.534 -28.535 9.902 1.000 1 A TYR 88.740 1 +ATOM 691 C CG . TYR 85 85 ? A 6.918 -29.202 8.784 1.000 1 A TYR 92.719 1 +ATOM 692 C CD1 . TYR 85 85 ? A 6.204 -30.130 7.881 1.000 1 A TYR 91.718 1 +ATOM 693 C CD2 . TYR 85 85 ? A 13.385 -27.922 7.137 1.000 1 A TYR 92.270 1 +ATOM 694 C CE1 . TYR 85 85 ? A 6.593 -30.863 6.569 1.000 1 A TYR 92.128 1 +ATOM 695 C CE2 . TYR 85 85 ? A 11.468 -28.347 5.360 1.000 1 A TYR 89.585 1 +ATOM 696 C CZ . TYR 85 85 ? A 10.400 -32.074 5.968 1.000 1 A TYR 92.806 1 +ATOM 697 O OH . TYR 85 85 ? A 4.173 -26.755 4.018 1.000 1 A TYR 92.123 1 +ATOM 698 N N . TYR 86 86 ? A 12.491 -29.222 10.860 1.000 1 A TYR 90.273 1 +ATOM 699 C CA . TYR 86 86 ? A 11.682 -27.288 11.356 1.000 1 A TYR 87.896 1 +ATOM 700 C C . TYR 86 86 ? A 4.247 -18.616 6.835 1.000 1 A TYR 86.937 1 +ATOM 701 O O . TYR 86 86 ? A 11.117 -26.778 12.780 1.000 1 A TYR 82.062 1 +ATOM 702 C CB . TYR 86 86 ? A 11.793 -27.691 10.615 1.000 1 A TYR 87.156 1 +ATOM 703 C CG . TYR 86 86 ? A 12.702 -26.134 11.868 1.000 1 A TYR 91.904 1 +ATOM 704 C CD1 . TYR 86 86 ? A 21.222 -25.668 10.303 1.000 1 A TYR 91.604 1 +ATOM 705 C CD2 . TYR 86 86 ? A 0.386 -17.252 11.909 1.000 1 A TYR 91.468 1 +ATOM 706 C CE1 . TYR 86 86 ? A 10.235 -25.638 13.065 1.000 1 A TYR 91.042 1 +ATOM 707 C CE2 . TYR 86 86 ? A 18.702 -24.372 9.281 1.000 1 A TYR 91.012 1 +ATOM 708 C CZ . TYR 86 86 ? A -3.439 -16.455 2.075 1.000 1 A TYR 92.640 1 +ATOM 709 O OH . TYR 86 86 ? A 3.587 -26.097 15.103 1.000 1 A TYR 90.910 1 +ATOM 710 N N . ASN 87 87 ? A 7.555 -27.355 18.678 1.000 1 A ASN 87.938 1 +ATOM 711 C CA . ASN 87 87 ? A 7.177 -27.429 18.037 1.000 1 A ASN 87.164 1 +ATOM 712 C C . ASN 87 87 ? A 7.923 -25.640 15.319 1.000 1 A ASN 87.768 1 +ATOM 713 O O . ASN 87 87 ? A 8.366 -25.030 12.689 1.000 1 A ASN 85.186 1 +ATOM 714 C CB . ASN 87 87 ? A 9.984 -27.467 17.992 1.000 1 A ASN 86.651 1 +ATOM 715 C CG . ASN 87 87 ? A 11.036 -28.238 13.699 1.000 1 A ASN 76.588 1 +ATOM 716 O OD1 . ASN 87 87 ? A 7.582 -31.114 18.240 1.000 1 A ASN 69.088 1 +ATOM 717 N ND2 . ASN 87 87 ? A 12.043 -28.513 11.363 1.000 1 A ASN 67.671 1 +ATOM 718 N N . GLN 88 88 ? A 3.136 -31.536 5.284 1.000 1 A GLN 87.281 1 +ATOM 719 C CA . GLN 88 88 ? A 2.500 -29.506 6.889 1.000 1 A GLN 87.168 1 +ATOM 720 C C . GLN 88 88 ? A 4.236 -16.369 21.030 1.000 1 A GLN 86.518 1 +ATOM 721 O O . GLN 88 88 ? A 1.793 -27.796 5.321 1.000 1 A GLN 83.797 1 +ATOM 722 C CB . GLN 88 88 ? A 5.878 -17.489 21.849 1.000 1 A GLN 86.861 1 +ATOM 723 C CG . GLN 88 88 ? A 6.712 -26.202 13.081 1.000 1 A GLN 87.220 1 +ATOM 724 C CD . GLN 88 88 ? A 9.695 -34.008 10.046 1.000 1 A GLN 88.284 1 +ATOM 725 O OE1 . GLN 88 88 ? A 6.857 -27.531 15.442 1.000 1 A GLN 86.570 1 +ATOM 726 N NE2 . GLN 88 88 ? A 6.994 -21.430 24.035 1.000 1 A GLN 82.786 1 +ATOM 727 N N . SER 89 89 ? A 0.278 -31.868 14.761 1.000 1 A SER 86.876 1 +ATOM 728 C CA . SER 89 89 ? A 4.205 -29.158 18.334 1.000 1 A SER 85.056 1 +ATOM 729 C C . SER 89 89 ? A 9.448 -31.712 17.130 1.000 1 A SER 85.096 1 +ATOM 730 O O . SER 89 89 ? A 3.396 -31.033 18.596 1.000 1 A SER 83.594 1 +ATOM 731 C CB . SER 89 89 ? A 0.622 -21.382 26.275 1.000 1 A SER 82.575 1 +ATOM 732 O OG . SER 89 89 ? A 0.290 -26.769 19.357 1.000 1 A SER 77.410 1 +ATOM 733 N N . GLU 90 90 ? A 4.660 -28.624 24.091 1.000 1 A GLU 84.191 1 +ATOM 734 C CA . GLU 90 90 ? A -1.273 -31.312 11.937 1.000 1 A GLU 81.834 1 +ATOM 735 C C . GLU 90 90 ? A 2.733 -27.252 24.281 1.000 1 A GLU 81.766 1 +ATOM 736 O O . GLU 90 90 ? A 2.143 -27.357 24.207 1.000 1 A GLU 79.137 1 +ATOM 737 C CB . GLU 90 90 ? A -3.507 -32.783 14.322 1.000 1 A GLU 78.368 1 +ATOM 738 C CG . GLU 90 90 ? A -3.089 -32.337 10.800 1.000 1 A GLU 69.843 1 +ATOM 739 C CD . GLU 90 90 ? A 0.199 -27.939 18.404 1.000 1 A GLU 63.506 1 +ATOM 740 O OE1 . GLU 90 90 ? A -1.047 -28.429 17.620 1.000 1 A GLU 61.126 1 +ATOM 741 O OE2 . GLU 90 90 ? A -0.715 -25.433 17.681 1.000 1 A GLU 58.097 1 +ATOM 742 N N . ALA 91 91 ? A 8.443 -27.162 15.844 1.000 1 A ALA 81.943 1 +ATOM 743 C CA . ALA 91 91 ? A -4.555 -27.091 20.486 1.000 1 A ALA 80.017 1 +ATOM 744 C C . ALA 91 91 ? A -2.635 -25.164 18.954 1.000 1 A ALA 79.847 1 +ATOM 745 O O . ALA 91 91 ? A -1.365 -24.709 18.714 1.000 1 A ALA 74.576 1 +ATOM 746 C CB . ALA 91 91 ? A -5.273 -27.107 22.536 1.000 1 A ALA 76.218 1 +ATOM 747 N N . GLY 92 92 ? A 2.654 -26.709 13.700 1.000 1 A GLY 79.939 1 +ATOM 748 C CA . GLY 92 92 ? A -10.453 -18.963 22.625 1.000 1 A GLY 80.709 1 +ATOM 749 C C . GLY 92 92 ? A 2.159 -22.799 16.791 1.000 1 A GLY 83.304 1 +ATOM 750 O O . GLY 92 92 ? A 4.006 -23.526 16.192 1.000 1 A GLY 81.098 1 +ATOM 751 N N . SER 93 93 ? A -7.423 -20.088 17.091 1.000 1 A SER 84.138 1 +ATOM 752 C CA . SER 93 93 ? A -0.474 -19.894 15.401 1.000 1 A SER 87.367 1 +ATOM 753 C C . SER 93 93 ? A 2.233 -20.535 15.550 1.000 1 A SER 90.328 1 +ATOM 754 O O . SER 93 93 ? A 3.689 -21.184 16.542 1.000 1 A SER 88.883 1 +ATOM 755 C CB . SER 93 93 ? A -4.078 -17.185 15.507 1.000 1 A SER 84.986 1 +ATOM 756 O OG . SER 93 93 ? A 2.475 -19.928 15.924 1.000 1 A SER 82.292 1 +ATOM 757 N N . HIS 94 94 ? A 4.783 -23.362 20.831 1.000 1 A HIS 90.553 1 +ATOM 758 C CA . HIS 94 94 ? A -7.721 -4.372 8.006 1.000 1 A HIS 92.813 1 +ATOM 759 C C . HIS 94 94 ? A 8.585 -23.555 15.484 1.000 1 A HIS 93.901 1 +ATOM 760 O O . HIS 94 94 ? A 3.517 -21.092 13.743 1.000 1 A HIS 93.607 1 +ATOM 761 C CB . HIS 94 94 ? A 13.643 -32.690 18.802 1.000 1 A HIS 93.639 1 +ATOM 762 C CG . HIS 94 94 ? A 1.633 -21.454 13.776 1.000 1 A HIS 94.299 1 +ATOM 763 N ND1 . HIS 94 94 ? A -4.270 -17.256 8.516 1.000 1 A HIS 82.287 1 +ATOM 764 C CD2 . HIS 94 94 ? A 2.378 -22.983 14.410 1.000 1 A HIS 80.850 1 +ATOM 765 C CE1 . HIS 94 94 ? A 1.789 -22.874 11.916 1.000 1 A HIS 85.963 1 +ATOM 766 N NE2 . HIS 94 94 ? A -0.381 -20.550 11.654 1.000 1 A HIS 88.651 1 +ATOM 767 N N . THR 95 95 ? A -1.224 -25.003 5.707 1.000 1 A THR 93.470 1 +ATOM 768 C CA . THR 95 95 ? A -0.594 -21.949 4.703 1.000 1 A THR 94.655 1 +ATOM 769 C C . THR 95 95 ? A 2.040 -10.686 11.958 1.000 1 A THR 95.679 1 +ATOM 770 O O . THR 95 95 ? A -2.056 -8.877 12.376 1.000 1 A THR 95.936 1 +ATOM 771 C CB . THR 95 95 ? A -0.471 -23.303 4.546 1.000 1 A THR 93.663 1 +ATOM 772 O OG1 . THR 95 95 ? A 3.001 -18.521 8.706 1.000 1 A THR 89.625 1 +ATOM 773 C CG2 . THR 95 95 ? A 4.804 -16.316 8.924 1.000 1 A THR 90.134 1 +ATOM 774 N N . LEU 96 96 ? A 0.042 -19.726 6.976 1.000 1 A LEU 95.842 1 +ATOM 775 C CA . LEU 96 96 ? A 0.967 -19.800 7.702 1.000 1 A LEU 96.929 1 +ATOM 776 C C . LEU 96 96 ? A 0.291 -18.453 4.991 1.000 1 A LEU 97.355 1 +ATOM 777 O O . LEU 96 96 ? A -0.814 -18.785 4.395 1.000 1 A LEU 97.268 1 +ATOM 778 C CB . LEU 96 96 ? A 0.482 -19.422 5.691 1.000 1 A LEU 97.080 1 +ATOM 779 C CG . LEU 96 96 ? A 1.752 -19.888 4.171 1.000 1 A LEU 96.592 1 +ATOM 780 C CD1 . LEU 96 96 ? A 2.242 -16.698 4.840 1.000 1 A LEU 95.704 1 +ATOM 781 C CD2 . LEU 96 96 ? A 2.224 -14.476 4.898 1.000 1 A LEU 95.747 1 +ATOM 782 N N . GLN 97 97 ? A 0.530 -16.803 4.570 1.000 1 A GLN 97.077 1 +ATOM 783 C CA . GLN 97 97 ? A 4.801 -18.248 4.432 1.000 1 A GLN 97.634 1 +ATOM 784 C C . GLN 97 97 ? A 4.364 -18.787 3.334 1.000 1 A GLN 97.499 1 +ATOM 785 O O . GLN 97 97 ? A 5.922 -18.926 4.756 1.000 1 A GLN 97.578 1 +ATOM 786 C CB . GLN 97 97 ? A -5.133 -12.924 0.405 1.000 1 A GLN 97.852 1 +ATOM 787 C CG . GLN 97 97 ? A 5.696 -15.721 4.459 1.000 1 A GLN 97.379 1 +ATOM 788 C CD . GLN 97 97 ? A 3.425 -14.763 5.593 1.000 1 A GLN 96.857 1 +ATOM 789 O OE1 . GLN 97 97 ? A 5.353 -15.108 6.722 1.000 1 A GLN 93.429 1 +ATOM 790 N NE2 . GLN 97 97 ? A 1.584 -13.144 5.433 1.000 1 A GLN 90.060 1 +ATOM 791 N N . TRP 98 98 ? A 5.752 -12.842 -0.401 1.000 1 A TRP 86.316 1 +ATOM 792 C CA . TRP 98 98 ? A 2.769 -20.602 -2.420 1.000 1 A TRP 87.937 1 +ATOM 793 C C . TRP 98 98 ? A 1.233 -17.840 4.662 1.000 1 A TRP 89.772 1 +ATOM 794 O O . TRP 98 98 ? A 0.949 -18.132 7.581 1.000 1 A TRP 93.927 1 +ATOM 795 C CB . TRP 98 98 ? A 0.996 -18.762 3.561 1.000 1 A TRP 90.171 1 +ATOM 796 C CG . TRP 98 98 ? A 1.363 -21.603 -2.752 1.000 1 A TRP 86.216 1 +ATOM 797 C CD1 . TRP 98 98 ? A 0.125 -20.230 -0.214 1.000 1 A TRP 78.303 1 +ATOM 798 C CD2 . TRP 98 98 ? A 0.215 -19.489 -0.918 1.000 1 A TRP 82.084 1 +ATOM 799 N NE1 . TRP 98 98 ? A 0.234 -26.199 -4.445 1.000 1 A TRP 66.224 1 +ATOM 800 C CE2 . TRP 98 98 ? A 0.124 -20.526 -1.290 1.000 1 A TRP 82.105 1 +ATOM 801 C CE3 . TRP 98 98 ? A 0.453 -19.724 -3.964 1.000 1 A TRP 70.164 1 +ATOM 802 C CZ2 . TRP 98 98 ? A 2.146 -25.604 -5.288 1.000 1 A TRP 67.696 1 +ATOM 803 C CZ3 . TRP 98 98 ? A -3.199 -14.984 -3.649 1.000 1 A TRP 66.272 1 +ATOM 804 C CH2 . TRP 98 98 ? A 0.587 -20.125 3.174 1.000 1 A TRP 67.642 1 +ATOM 805 N N . MET 99 99 ? A 11.824 -18.613 -9.202 1.000 1 A MET 96.686 1 +ATOM 806 C CA . MET 99 99 ? A -0.740 -13.680 -5.672 1.000 1 A MET 96.196 1 +ATOM 807 C C . MET 99 99 ? A -0.847 -13.185 -7.339 1.000 1 A MET 95.239 1 +ATOM 808 O O . MET 99 99 ? A 8.641 -13.735 -2.463 1.000 1 A MET 94.100 1 +ATOM 809 C CB . MET 99 99 ? A -0.992 -12.221 -4.847 1.000 1 A MET 93.944 1 +ATOM 810 C CG . MET 99 99 ? A 0.705 -12.621 -3.297 1.000 1 A MET 82.506 1 +ATOM 811 S SD . MET 99 99 ? A -4.502 -9.686 -4.642 1.000 1 A MET 80.415 1 +ATOM 812 C CE . MET 99 99 ? A 2.301 -15.629 1.528 1.000 1 A MET 72.828 1 +ATOM 813 N N . PHE 100 100 ? A 0.319 -15.286 -7.699 1.000 1 A PHE 94.122 1 +ATOM 814 C CA . PHE 100 100 ? A 0.768 -13.973 -6.973 1.000 1 A PHE 93.150 1 +ATOM 815 C C . PHE 100 100 ? A 0.900 -14.071 -7.825 1.000 1 A PHE 94.466 1 +ATOM 816 O O . PHE 100 100 ? A -0.806 -16.529 -11.312 1.000 1 A PHE 94.961 1 +ATOM 817 C CB . PHE 100 100 ? A 2.692 -14.973 -7.990 1.000 1 A PHE 87.818 1 +ATOM 818 C CG . PHE 100 100 ? A 2.046 -19.744 -8.212 1.000 1 A PHE 91.087 1 +ATOM 819 C CD1 . PHE 100 100 ? A 0.245 -16.616 -6.122 1.000 1 A PHE 83.025 1 +ATOM 820 C CD2 . PHE 100 100 ? A 3.454 -18.159 -2.760 1.000 1 A PHE 81.602 1 +ATOM 821 C CE1 . PHE 100 100 ? A -8.909 -4.192 -3.715 1.000 1 A PHE 74.843 1 +ATOM 822 C CE2 . PHE 100 100 ? A -1.321 -26.042 -6.978 1.000 1 A PHE 73.905 1 +ATOM 823 C CZ . PHE 100 100 ? A -4.732 -6.683 -9.648 1.000 1 A PHE 75.879 1 +ATOM 824 N N . GLY 101 101 ? A 1.746 -13.841 -9.869 1.000 1 A GLY 95.155 1 +ATOM 825 C CA . GLY 101 101 ? A 0.640 -14.975 -6.679 1.000 1 A GLY 95.932 1 +ATOM 826 C C . GLY 101 101 ? A 1.503 -12.828 -8.585 1.000 1 A GLY 96.776 1 +ATOM 827 O O . GLY 101 101 ? A 1.045 -12.812 -9.896 1.000 1 A GLY 96.320 1 +ATOM 828 N N . CYS 102 102 ? A 0.378 -11.450 -9.161 1.000 1 A CYS 95.114 1 +ATOM 829 C CA . CYS 102 102 ? A 0.627 -11.102 -10.682 1.000 1 A CYS 95.176 1 +ATOM 830 C C . CYS 102 102 ? A 1.324 -9.423 -10.869 1.000 1 A CYS 94.658 1 +ATOM 831 O O . CYS 102 102 ? A 0.515 -9.037 -10.458 1.000 1 A CYS 93.913 1 +ATOM 832 C CB . CYS 102 102 ? A -0.105 -11.293 -11.957 1.000 1 A CYS 95.373 1 +ATOM 833 S SG . CYS 102 102 ? A 0.458 -11.851 -13.133 1.000 1 A CYS 97.351 1 +ATOM 834 N N . ASP 103 103 ? A 2.028 -9.118 -11.737 1.000 1 A ASP 94.166 1 +ATOM 835 C CA . ASP 103 103 ? A 2.805 -7.346 -12.831 1.000 1 A ASP 93.101 1 +ATOM 836 C C . ASP 103 103 ? A 1.551 -7.016 -13.689 1.000 1 A ASP 91.193 1 +ATOM 837 O O . ASP 103 103 ? A 2.726 -8.566 -13.570 1.000 1 A ASP 89.569 1 +ATOM 838 C CB . ASP 103 103 ? A 4.000 -7.417 -12.689 1.000 1 A ASP 91.706 1 +ATOM 839 C CG . ASP 103 103 ? A 4.612 -8.109 -11.311 1.000 1 A ASP 92.024 1 +ATOM 840 O OD1 . ASP 103 103 ? A 3.789 -8.863 -8.533 1.000 1 A ASP 89.045 1 +ATOM 841 O OD2 . ASP 103 103 ? A 4.000 -10.697 -10.009 1.000 1 A ASP 87.930 1 +ATOM 842 N N . LEU 104 104 ? A 1.796 -7.843 -12.457 1.000 1 A LEU 85.407 1 +ATOM 843 C CA . LEU 104 104 ? A 3.657 -4.448 -16.387 1.000 1 A LEU 84.351 1 +ATOM 844 C C . LEU 104 104 ? A 3.936 -6.261 -16.020 1.000 1 A LEU 84.296 1 +ATOM 845 O O . LEU 104 104 ? A 5.029 -6.547 -15.882 1.000 1 A LEU 84.599 1 +ATOM 846 C CB . LEU 104 104 ? A 1.344 -7.382 -14.217 1.000 1 A LEU 80.100 1 +ATOM 847 C CG . LEU 104 104 ? A 0.904 -5.385 -16.177 1.000 1 A LEU 79.666 1 +ATOM 848 C CD1 . LEU 104 104 ? A 0.469 -4.656 -15.683 1.000 1 A LEU 75.705 1 +ATOM 849 C CD2 . LEU 104 104 ? A 2.149 -3.578 -15.558 1.000 1 A LEU 74.686 1 +ATOM 850 N N . GLY 105 105 ? A 5.562 -6.005 -18.347 1.000 1 A GLY 82.404 1 +ATOM 851 C CA . GLY 105 105 ? A 6.907 -4.212 -19.543 1.000 1 A GLY 82.669 1 +ATOM 852 C C . GLY 105 105 ? A 6.344 -6.670 -17.290 1.000 1 A GLY 83.686 1 +ATOM 853 O O . GLY 105 105 ? A 5.126 -3.793 -19.453 1.000 1 A GLY 81.082 1 +ATOM 854 N N . PRO 106 106 ? A 7.639 -5.752 -18.643 1.000 1 A PRO 78.666 1 +ATOM 855 C CA . PRO 106 106 ? A 5.493 -3.808 -20.981 1.000 1 A PRO 76.093 1 +ATOM 856 C C . PRO 106 106 ? A 6.026 -7.380 -20.582 1.000 1 A PRO 75.796 1 +ATOM 857 O O . PRO 106 106 ? A 7.375 -3.356 -22.418 1.000 1 A PRO 71.330 1 +ATOM 858 C CB . PRO 106 106 ? A 7.510 -4.132 -20.914 1.000 1 A PRO 72.868 1 +ATOM 859 C CG . PRO 106 106 ? A 9.436 -4.723 -19.114 1.000 1 A PRO 73.701 1 +ATOM 860 C CD . PRO 106 106 ? A 9.269 -5.092 -19.909 1.000 1 A PRO 79.959 1 +ATOM 861 N N . ASP 107 107 ? A 5.797 -5.894 -21.272 1.000 1 A ASP 78.953 1 +ATOM 862 C CA . ASP 107 107 ? A 5.477 -6.671 -21.637 1.000 1 A ASP 77.767 1 +ATOM 863 C C . ASP 107 107 ? A 3.935 -7.474 -21.220 1.000 1 A ASP 78.855 1 +ATOM 864 O O . ASP 107 107 ? A 3.602 -7.840 -22.220 1.000 1 A ASP 74.228 1 +ATOM 865 C CB . ASP 107 107 ? A 5.687 -8.366 -22.377 1.000 1 A ASP 73.961 1 +ATOM 866 C CG . ASP 107 107 ? A 5.696 -9.240 -23.688 1.000 1 A ASP 72.584 1 +ATOM 867 O OD1 . ASP 107 107 ? A 6.322 -7.858 -23.881 1.000 1 A ASP 66.738 1 +ATOM 868 O OD2 . ASP 107 107 ? A 4.786 -7.320 -24.035 1.000 1 A ASP 67.903 1 +ATOM 869 N N . GLY 108 108 ? A 4.853 -5.490 -21.783 1.000 1 A GLY 78.210 1 +ATOM 870 C CA . GLY 108 108 ? A -8.726 -18.760 -21.140 1.000 1 A GLY 77.012 1 +ATOM 871 C C . GLY 108 108 ? A 3.688 -5.322 -19.367 1.000 1 A GLY 80.013 1 +ATOM 872 O O . GLY 108 108 ? A 4.931 -3.416 -20.518 1.000 1 A GLY 78.861 1 +ATOM 873 N N . ARG 109 109 ? A 1.082 -7.857 -17.758 1.000 1 A ARG 79.573 1 +ATOM 874 C CA . ARG 109 109 ? A 2.227 -8.069 -17.931 1.000 1 A ARG 81.678 1 +ATOM 875 C C . ARG 109 109 ? A 2.478 -8.261 -16.420 1.000 1 A ARG 84.427 1 +ATOM 876 O O . ARG 109 109 ? A 1.977 -7.964 -15.171 1.000 1 A ARG 84.425 1 +ATOM 877 C CB . ARG 109 109 ? A 1.628 -6.745 -18.076 1.000 1 A ARG 77.584 1 +ATOM 878 C CG . ARG 109 109 ? A 1.232 -5.952 -19.019 1.000 1 A ARG 68.733 1 +ATOM 879 C CD . ARG 109 109 ? A 1.677 -6.495 -18.577 1.000 1 A ARG 66.302 1 +ATOM 880 N NE . ARG 109 109 ? A 2.431 -6.625 -17.200 1.000 1 A ARG 59.469 1 +ATOM 881 C CZ . ARG 109 109 ? A 3.064 -6.992 -15.230 1.000 1 A ARG 56.143 1 +ATOM 882 N NH1 . ARG 109 109 ? A 2.617 -7.186 -14.785 1.000 1 A ARG 50.397 1 +ATOM 883 N NH2 . ARG 109 109 ? A 3.867 -7.372 -14.825 1.000 1 A ARG 47.219 1 +ATOM 884 N N . LEU 110 110 ? A 4.040 -8.030 -15.769 1.000 1 A LEU 75.832 1 +ATOM 885 C CA . LEU 110 110 ? A 6.076 -8.342 -14.847 1.000 1 A LEU 79.426 1 +ATOM 886 C C . LEU 110 110 ? A 6.818 -9.895 -15.286 1.000 1 A LEU 81.712 1 +ATOM 887 O O . LEU 110 110 ? A 4.557 -10.212 -14.588 1.000 1 A LEU 79.253 1 +ATOM 888 C CB . LEU 110 110 ? A 3.936 -9.487 -16.960 1.000 1 A LEU 77.021 1 +ATOM 889 C CG . LEU 110 110 ? A 5.579 -8.238 -14.558 1.000 1 A LEU 78.639 1 +ATOM 890 C CD1 . LEU 110 110 ? A 4.863 -6.899 -14.022 1.000 1 A LEU 78.115 1 +ATOM 891 C CD2 . LEU 110 110 ? A 6.678 -7.715 -13.928 1.000 1 A LEU 77.233 1 +ATOM 892 N N . LEU 111 111 ? A 3.445 -2.341 -12.885 1.000 1 A LEU 79.255 1 +ATOM 893 C CA . LEU 111 111 ? A 3.642 -4.104 -16.318 1.000 1 A LEU 81.791 1 +ATOM 894 C C . LEU 111 111 ? A 7.126 -13.239 -13.166 1.000 1 A LEU 83.366 1 +ATOM 895 O O . LEU 111 111 ? A 6.354 -12.701 -12.764 1.000 1 A LEU 81.149 1 +ATOM 896 C CB . LEU 111 111 ? A 9.253 -10.580 -14.144 1.000 1 A LEU 80.568 1 +ATOM 897 C CG . LEU 111 111 ? A 10.338 -10.760 -11.557 1.000 1 A LEU 77.984 1 +ATOM 898 C CD1 . LEU 111 111 ? A 11.309 -10.330 -12.005 1.000 1 A LEU 76.094 1 +ATOM 899 C CD2 . LEU 111 111 ? A 8.589 -2.544 -3.913 1.000 1 A LEU 75.929 1 +ATOM 900 N N . ARG 112 112 ? A 7.693 -10.249 -10.559 1.000 1 A ARG 90.649 1 +ATOM 901 C CA . ARG 112 112 ? A 11.801 -15.057 -11.091 1.000 1 A ARG 91.239 1 +ATOM 902 C C . ARG 112 112 ? A 7.994 -12.153 -10.327 1.000 1 A ARG 93.665 1 +ATOM 903 O O . ARG 112 112 ? A 8.392 -11.949 -10.328 1.000 1 A ARG 93.859 1 +ATOM 904 C CB . ARG 112 112 ? A 9.982 -10.776 -10.084 1.000 1 A ARG 87.529 1 +ATOM 905 C CG . ARG 112 112 ? A 8.494 -9.066 -6.578 1.000 1 A ARG 80.252 1 +ATOM 906 C CD . ARG 112 112 ? A 9.234 -12.914 -9.781 1.000 1 A ARG 76.249 1 +ATOM 907 N NE . ARG 112 112 ? A 10.174 -13.092 -10.750 1.000 1 A ARG 68.989 1 +ATOM 908 C CZ . ARG 112 112 ? A 7.237 -7.148 -5.058 1.000 1 A ARG 64.279 1 +ATOM 909 N NH1 . ARG 112 112 ? A 9.164 -14.468 -12.033 1.000 1 A ARG 61.164 1 +ATOM 910 N NH2 . ARG 112 112 ? A 7.708 -7.392 -3.347 1.000 1 A ARG 56.928 1 +ATOM 911 N N . GLY 113 113 ? A 5.801 -12.735 -10.438 1.000 1 A GLY 89.252 1 +ATOM 912 C CA . GLY 113 113 ? A 4.056 -14.046 -12.294 1.000 1 A GLY 92.945 1 +ATOM 913 C C . GLY 113 113 ? A 5.198 -13.606 -8.526 1.000 1 A GLY 94.688 1 +ATOM 914 O O . GLY 113 113 ? A 5.904 -12.478 -7.528 1.000 1 A GLY 93.240 1 +ATOM 915 N N . TYR 114 114 ? A 3.940 -16.331 -7.795 1.000 1 A TYR 91.775 1 +ATOM 916 C CA . TYR 114 114 ? A 3.453 -15.066 -6.033 1.000 1 A TYR 92.787 1 +ATOM 917 C C . TYR 114 114 ? A 4.840 -17.650 -6.960 1.000 1 A TYR 94.733 1 +ATOM 918 O O . TYR 114 114 ? A 3.340 -15.146 -7.524 1.000 1 A TYR 94.331 1 +ATOM 919 C CB . TYR 114 114 ? A 6.542 -16.351 -6.043 1.000 1 A TYR 90.107 1 +ATOM 920 C CG . TYR 114 114 ? A 7.319 -15.507 -6.751 1.000 1 A TYR 93.436 1 +ATOM 921 C CD1 . TYR 114 114 ? A 7.518 -14.912 -7.482 1.000 1 A TYR 88.952 1 +ATOM 922 C CD2 . TYR 114 114 ? A 8.649 -14.455 -7.791 1.000 1 A TYR 89.261 1 +ATOM 923 C CE1 . TYR 114 114 ? A 8.478 -14.866 -7.963 1.000 1 A TYR 84.644 1 +ATOM 924 C CE2 . TYR 114 114 ? A 9.211 -14.608 -4.272 1.000 1 A TYR 82.048 1 +ATOM 925 C CZ . TYR 114 114 ? A 8.447 -12.024 -2.538 1.000 1 A TYR 84.032 1 +ATOM 926 O OH . TYR 114 114 ? A 9.812 -15.543 -7.042 1.000 1 A TYR 72.259 1 +ATOM 927 N N . ASP 115 115 ? A 4.256 -16.582 -6.653 1.000 1 A ASP 96.875 1 +ATOM 928 C CA . ASP 115 115 ? A 4.080 -17.885 -5.459 1.000 1 A ASP 97.106 1 +ATOM 929 C C . ASP 115 115 ? A 4.164 -18.867 -3.915 1.000 1 A ASP 97.262 1 +ATOM 930 O O . ASP 115 115 ? A 6.373 -18.171 -4.651 1.000 1 A ASP 96.721 1 +ATOM 931 C CB . ASP 115 115 ? A 4.733 -18.175 -5.994 1.000 1 A ASP 96.724 1 +ATOM 932 C CG . ASP 115 115 ? A 3.106 -19.513 -5.979 1.000 1 A ASP 96.264 1 +ATOM 933 O OD1 . ASP 115 115 ? A 1.958 -19.748 -6.499 1.000 1 A ASP 92.724 1 +ATOM 934 O OD2 . ASP 115 115 ? A 3.157 -20.321 -4.398 1.000 1 A ASP 91.626 1 +ATOM 935 N N . GLN 116 116 ? A 3.558 -17.987 -1.572 1.000 1 A GLN 97.298 1 +ATOM 936 C CA . GLN 116 116 ? A 6.463 -18.764 -3.374 1.000 1 A GLN 97.375 1 +ATOM 937 C C . GLN 116 116 ? A 2.961 -16.886 3.155 1.000 1 A GLN 97.679 1 +ATOM 938 O O . GLN 116 116 ? A 4.878 -18.496 -1.361 1.000 1 A GLN 97.588 1 +ATOM 939 C CB . GLN 116 116 ? A 8.313 -17.955 -4.773 1.000 1 A GLN 96.357 1 +ATOM 940 C CG . GLN 116 116 ? A 10.439 -19.399 -7.218 1.000 1 A GLN 93.606 1 +ATOM 941 C CD . GLN 116 116 ? A 2.452 -14.620 1.728 1.000 1 A GLN 93.158 1 +ATOM 942 O OE1 . GLN 116 116 ? A 8.134 -15.958 -5.770 1.000 1 A GLN 87.261 1 +ATOM 943 N NE2 . GLN 116 116 ? A 2.263 -14.439 1.047 1.000 1 A GLN 84.868 1 +ATOM 944 N N . SER 117 117 ? A 6.306 -19.038 -2.127 1.000 1 A SER 96.380 1 +ATOM 945 C CA . SER 117 117 ? A 5.464 -18.594 1.942 1.000 1 A SER 97.064 1 +ATOM 946 C C . SER 117 117 ? A 7.039 -21.218 2.763 1.000 1 A SER 97.061 1 +ATOM 947 O O . SER 117 117 ? A 5.443 -17.703 -0.800 1.000 1 A SER 96.701 1 +ATOM 948 C CB . SER 117 117 ? A 3.371 -18.468 3.740 1.000 1 A SER 96.435 1 +ATOM 949 O OG . SER 117 117 ? A 7.362 -20.487 0.149 1.000 1 A SER 93.325 1 +ATOM 950 N N . ALA 118 118 ? A 13.983 -24.619 7.134 1.000 1 A ALA 97.948 1 +ATOM 951 C CA . ALA 118 118 ? A -4.340 -12.486 -3.061 1.000 1 A ALA 97.876 1 +ATOM 952 C C . ALA 118 118 ? A -0.169 -14.870 2.165 1.000 1 A ALA 97.630 1 +ATOM 953 O O . ALA 118 118 ? A 3.078 -16.659 5.030 1.000 1 A ALA 97.413 1 +ATOM 954 C CB . ALA 118 118 ? A 17.616 -26.486 10.421 1.000 1 A ALA 97.618 1 +ATOM 955 N N . TYR 119 119 ? A 7.529 -18.433 7.869 1.000 1 A TYR 97.414 1 +ATOM 956 C CA . TYR 119 119 ? A 6.449 -19.821 7.958 1.000 1 A TYR 97.521 1 +ATOM 957 C C . TYR 119 119 ? A 5.997 -19.049 7.889 1.000 1 A TYR 97.265 1 +ATOM 958 O O . TYR 119 119 ? A 7.281 -18.382 7.905 1.000 1 A TYR 97.066 1 +ATOM 959 C CB . TYR 119 119 ? A 7.987 -24.380 6.820 1.000 1 A TYR 97.314 1 +ATOM 960 C CG . TYR 119 119 ? A 7.387 -24.375 6.988 1.000 1 A TYR 97.423 1 +ATOM 961 C CD1 . TYR 119 119 ? A 3.113 -15.502 14.053 1.000 1 A TYR 97.380 1 +ATOM 962 C CD2 . TYR 119 119 ? A 0.994 -10.192 14.059 1.000 1 A TYR 96.978 1 +ATOM 963 C CE1 . TYR 119 119 ? A 4.813 -20.913 8.758 1.000 1 A TYR 96.999 1 +ATOM 964 C CE2 . TYR 119 119 ? A 1.022 -11.110 13.779 1.000 1 A TYR 96.441 1 +ATOM 965 C CZ . TYR 119 119 ? A 6.931 -29.935 3.507 1.000 1 A TYR 96.964 1 +ATOM 966 O OH . TYR 119 119 ? A 3.496 -20.499 7.078 1.000 1 A TYR 95.725 1 +ATOM 967 N N . ASP 120 120 ? A 4.971 -17.307 9.243 1.000 1 A ASP 96.078 1 +ATOM 968 C CA . ASP 120 120 ? A -1.652 -16.046 10.565 1.000 1 A ASP 95.270 1 +ATOM 969 C C . ASP 120 120 ? A 7.722 -16.099 9.678 1.000 1 A ASP 95.249 1 +ATOM 970 O O . ASP 120 120 ? A -0.796 -14.264 10.167 1.000 1 A ASP 93.488 1 +ATOM 971 C CB . ASP 120 120 ? A 5.532 -17.546 11.366 1.000 1 A ASP 94.848 1 +ATOM 972 C CG . ASP 120 120 ? A 10.275 -18.850 12.022 1.000 1 A ASP 95.324 1 +ATOM 973 O OD1 . ASP 120 120 ? A 5.330 -17.242 11.593 1.000 1 A ASP 88.282 1 +ATOM 974 O OD2 . ASP 120 120 ? A 6.928 -19.488 12.205 1.000 1 A ASP 88.318 1 +ATOM 975 N N . GLY 121 121 ? A 7.132 -15.568 7.727 1.000 1 A GLY 94.357 1 +ATOM 976 C CA . GLY 121 121 ? A 7.197 -13.711 10.228 1.000 1 A GLY 92.862 1 +ATOM 977 C C . GLY 121 121 ? A 8.303 -14.288 8.418 1.000 1 A GLY 93.293 1 +ATOM 978 O O . GLY 121 121 ? A 8.223 -14.535 7.242 1.000 1 A GLY 91.021 1 +ATOM 979 N N . LYS 122 122 ? A 10.359 -13.949 8.427 1.000 1 A LYS 93.497 1 +ATOM 980 C CA . LYS 122 122 ? A 11.666 -8.988 8.081 1.000 1 A LYS 93.296 1 +ATOM 981 C C . LYS 122 122 ? A 10.715 -14.773 6.503 1.000 1 A LYS 94.813 1 +ATOM 982 O O . LYS 122 122 ? A 11.504 -16.014 5.444 1.000 1 A LYS 94.914 1 +ATOM 983 C CB . LYS 122 122 ? A 11.745 -12.331 7.045 1.000 1 A LYS 90.551 1 +ATOM 984 C CG . LYS 122 122 ? A 10.490 -8.735 10.001 1.000 1 A LYS 81.347 1 +ATOM 985 C CD . LYS 122 122 ? A 10.838 -16.640 9.739 1.000 1 A LYS 78.915 1 +ATOM 986 C CE . LYS 122 122 ? A 10.187 -17.983 12.479 1.000 1 A LYS 64.897 1 +ATOM 987 N NZ . LYS 122 122 ? A 12.112 -19.303 9.137 1.000 1 A LYS 57.092 1 +ATOM 988 N N . ASP 123 123 ? A 9.258 -17.561 6.789 1.000 1 A ASP 96.289 1 +ATOM 989 C CA . ASP 123 123 ? A 10.584 -16.866 4.410 1.000 1 A ASP 96.900 1 +ATOM 990 C C . ASP 123 123 ? A 10.157 -18.502 4.402 1.000 1 A ASP 97.037 1 +ATOM 991 O O . ASP 123 123 ? A 9.280 -18.853 4.110 1.000 1 A ASP 96.242 1 +ATOM 992 C CB . ASP 123 123 ? A 9.430 -16.955 5.218 1.000 1 A ASP 96.456 1 +ATOM 993 C CG . ASP 123 123 ? A 10.633 -15.636 4.926 1.000 1 A ASP 96.068 1 +ATOM 994 O OD1 . ASP 123 123 ? A 10.973 -15.232 3.629 1.000 1 A ASP 88.242 1 +ATOM 995 O OD2 . ASP 123 123 ? A 11.756 -14.833 4.587 1.000 1 A ASP 86.368 1 +ATOM 996 N N . TYR 124 124 ? A 8.982 -19.535 4.563 1.000 1 A TYR 95.874 1 +ATOM 997 C CA . TYR 124 124 ? A 9.055 -20.811 4.394 1.000 1 A TYR 96.270 1 +ATOM 998 C C . TYR 124 124 ? A 9.602 -21.552 3.776 1.000 1 A TYR 96.614 1 +ATOM 999 O O . TYR 124 124 ? A 9.265 -22.515 4.402 1.000 1 A TYR 96.063 1 +ATOM 1000 C CB . TYR 124 124 ? A 7.951 -21.444 4.372 1.000 1 A TYR 96.371 1 +ATOM 1001 C CG . TYR 124 124 ? A 8.821 -22.125 4.590 1.000 1 A TYR 97.242 1 +ATOM 1002 C CD1 . TYR 124 124 ? A 10.278 -22.540 4.878 1.000 1 A TYR 96.595 1 +ATOM 1003 C CD2 . TYR 124 124 ? A 7.834 -23.356 3.793 1.000 1 A TYR 96.509 1 +ATOM 1004 C CE1 . TYR 124 124 ? A 10.663 -23.895 4.632 1.000 1 A TYR 96.405 1 +ATOM 1005 C CE2 . TYR 124 124 ? A 8.212 -24.488 3.899 1.000 1 A TYR 96.392 1 +ATOM 1006 C CZ . TYR 124 124 ? A 9.428 -24.855 4.485 1.000 1 A TYR 96.577 1 +ATOM 1007 O OH . TYR 124 124 ? A 9.798 -25.677 5.528 1.000 1 A TYR 96.131 1 +ATOM 1008 N N . ILE 125 125 ? A 9.178 -21.627 1.456 1.000 1 A ILE 96.127 1 +ATOM 1009 C CA . ILE 125 125 ? A 9.814 -20.026 1.030 1.000 1 A ILE 96.606 1 +ATOM 1010 C C . ILE 125 125 ? A 13.255 -26.249 3.869 1.000 1 A ILE 96.207 1 +ATOM 1011 O O . ILE 125 125 ? A 8.820 -12.278 1.847 1.000 1 A ILE 95.646 1 +ATOM 1012 C CB . ILE 125 125 ? A 8.069 -11.402 6.066 1.000 1 A ILE 96.131 1 +ATOM 1013 C CG1 . ILE 125 125 ? A 9.491 -23.505 -3.331 1.000 1 A ILE 95.875 1 +ATOM 1014 C CG2 . ILE 125 125 ? A 8.080 -22.264 -2.529 1.000 1 A ILE 94.536 1 +ATOM 1015 C CD1 . ILE 125 125 ? A 9.535 -21.024 -0.584 1.000 1 A ILE 93.493 1 +ATOM 1016 N N . ALA 126 126 ? A 10.707 -19.583 -1.959 1.000 1 A ALA 96.365 1 +ATOM 1017 C CA . ALA 126 126 ? A 9.522 -20.647 -4.029 1.000 1 A ALA 96.565 1 +ATOM 1018 C C . ALA 126 126 ? A 8.986 -20.365 -2.996 1.000 1 A ALA 96.401 1 +ATOM 1019 O O . ALA 126 126 ? A 8.166 -20.954 -2.508 1.000 1 A ALA 96.591 1 +ATOM 1020 C CB . ALA 126 126 ? A 9.284 -20.562 -1.861 1.000 1 A ALA 96.177 1 +ATOM 1021 N N . LEU 127 127 ? A 5.545 -16.358 -7.154 1.000 1 A LEU 97.153 1 +ATOM 1022 C CA . LEU 127 127 ? A 7.119 -18.833 -6.872 1.000 1 A LEU 97.107 1 +ATOM 1023 C C . LEU 127 127 ? A 14.949 -23.495 -7.493 1.000 1 A LEU 96.638 1 +ATOM 1024 O O . LEU 127 127 ? A 13.277 -22.191 -8.038 1.000 1 A LEU 95.774 1 +ATOM 1025 C CB . LEU 127 127 ? A 7.249 -19.650 -8.020 1.000 1 A LEU 96.841 1 +ATOM 1026 C CG . LEU 127 127 ? A 4.233 -17.481 -8.632 1.000 1 A LEU 96.556 1 +ATOM 1027 C CD1 . LEU 127 127 ? A 5.765 -13.430 -0.269 1.000 1 A LEU 95.875 1 +ATOM 1028 C CD2 . LEU 127 127 ? A 5.801 -20.027 -8.645 1.000 1 A LEU 95.422 1 +ATOM 1029 N N . ASN 128 128 ? A 12.931 -18.605 -7.450 1.000 1 A ASN 94.210 1 +ATOM 1030 C CA . ASN 128 128 ? A 11.301 -17.952 -7.404 1.000 1 A ASN 92.335 1 +ATOM 1031 C C . ASN 128 128 ? A 11.937 -16.523 -8.021 1.000 1 A ASN 90.685 1 +ATOM 1032 O O . ASN 128 128 ? A 12.261 -17.913 -9.621 1.000 1 A ASN 91.194 1 +ATOM 1033 C CB . ASN 128 128 ? A 11.994 -18.390 -6.324 1.000 1 A ASN 91.324 1 +ATOM 1034 C CG . ASN 128 128 ? A 14.317 -18.550 -7.261 1.000 1 A ASN 91.759 1 +ATOM 1035 O OD1 . ASN 128 128 ? A 13.485 -19.248 -7.457 1.000 1 A ASN 87.755 1 +ATOM 1036 N ND2 . ASN 128 128 ? A 14.683 -18.200 -6.233 1.000 1 A ASN 86.784 1 +ATOM 1037 N N . GLU 129 129 ? A 11.290 -16.085 -7.619 1.000 1 A GLU 87.738 1 +ATOM 1038 C CA . GLU 129 129 ? A 10.901 -15.329 -8.967 1.000 1 A GLU 85.129 1 +ATOM 1039 C C . GLU 129 129 ? A 10.852 -14.227 -11.525 1.000 1 A GLU 84.844 1 +ATOM 1040 O O . GLU 129 129 ? A 11.226 -15.327 -8.086 1.000 1 A GLU 84.210 1 +ATOM 1041 C CB . GLU 129 129 ? A 11.120 -14.650 -9.293 1.000 1 A GLU 81.990 1 +ATOM 1042 C CG . GLU 129 129 ? A 10.383 -14.775 -10.597 1.000 1 A GLU 71.958 1 +ATOM 1043 C CD . GLU 129 129 ? A 10.719 -13.490 -12.098 1.000 1 A GLU 62.728 1 +ATOM 1044 O OE1 . GLU 129 129 ? A 10.730 -12.231 -12.942 1.000 1 A GLU 58.143 1 +ATOM 1045 O OE2 . GLU 129 129 ? A 11.212 -14.762 -11.749 1.000 1 A GLU 56.792 1 +ATOM 1046 N N . ASP 130 130 ? A 10.738 -17.474 -12.550 1.000 1 A ASP 88.574 1 +ATOM 1047 C CA . ASP 130 130 ? A 11.468 -17.780 -12.718 1.000 1 A ASP 88.186 1 +ATOM 1048 C C . ASP 130 130 ? A 9.482 -18.865 -11.171 1.000 1 A ASP 90.312 1 +ATOM 1049 O O . ASP 130 130 ? A 11.704 -19.197 -13.068 1.000 1 A ASP 87.464 1 +ATOM 1050 C CB . ASP 130 130 ? A 11.186 -18.545 -11.124 1.000 1 A ASP 85.908 1 +ATOM 1051 C CG . ASP 130 130 ? A 13.696 -18.661 -11.940 1.000 1 A ASP 86.959 1 +ATOM 1052 O OD1 . ASP 130 130 ? A 13.847 -18.799 -13.061 1.000 1 A ASP 83.938 1 +ATOM 1053 O OD2 . ASP 130 130 ? A 13.028 -20.327 -11.768 1.000 1 A ASP 82.909 1 +ATOM 1054 N N . LEU 131 131 ? A 8.611 -18.966 -19.224 1.000 1 A LEU 72.215 1 +ATOM 1055 C CA . LEU 131 131 ? A 8.779 -19.848 -13.421 1.000 1 A LEU 76.723 1 +ATOM 1056 C C . LEU 131 131 ? A 8.290 -20.729 -15.008 1.000 1 A LEU 77.761 1 +ATOM 1057 O O . LEU 131 131 ? A 9.098 -20.209 -11.198 1.000 1 A LEU 74.741 1 +ATOM 1058 C CB . LEU 131 131 ? A 8.996 -19.590 -11.878 1.000 1 A LEU 74.419 1 +ATOM 1059 C CG . LEU 131 131 ? A 4.175 -16.476 -21.731 1.000 1 A LEU 78.634 1 +ATOM 1060 C CD1 . LEU 131 131 ? A 7.358 -18.798 -9.270 1.000 1 A LEU 77.393 1 +ATOM 1061 C CD2 . LEU 131 131 ? A 8.897 -22.280 1.083 1.000 1 A LEU 77.487 1 +ATOM 1062 N N . ARG 132 132 ? A 9.886 -20.021 -10.534 1.000 1 A ARG 89.435 1 +ATOM 1063 C CA . ARG 132 132 ? A 11.029 -26.437 -17.857 1.000 1 A ARG 90.521 1 +ATOM 1064 C C . ARG 132 132 ? A 10.582 -23.142 -11.067 1.000 1 A ARG 91.792 1 +ATOM 1065 O O . ARG 132 132 ? A 9.088 -20.758 -7.860 1.000 1 A ARG 89.988 1 +ATOM 1066 C CB . ARG 132 132 ? A 11.274 -23.207 -12.718 1.000 1 A ARG 88.169 1 +ATOM 1067 C CG . ARG 132 132 ? A 12.094 -23.080 -13.566 1.000 1 A ARG 85.817 1 +ATOM 1068 C CD . ARG 132 132 ? A 11.926 -23.641 -14.533 1.000 1 A ARG 82.194 1 +ATOM 1069 N NE . ARG 132 132 ? A 11.478 -23.984 -14.925 1.000 1 A ARG 74.586 1 +ATOM 1070 C CZ . ARG 132 132 ? A 11.118 -24.869 -16.694 1.000 1 A ARG 65.932 1 +ATOM 1071 N NH1 . ARG 132 132 ? A 10.679 -24.433 -17.148 1.000 1 A ARG 61.929 1 +ATOM 1072 N NH2 . ARG 132 132 ? A 11.147 -25.638 -17.428 1.000 1 A ARG 60.214 1 +ATOM 1073 N N . SER 133 133 ? A 11.153 -22.690 -10.353 1.000 1 A SER 93.817 1 +ATOM 1074 C CA . SER 133 133 ? A 14.134 -26.600 -9.806 1.000 1 A SER 94.309 1 +ATOM 1075 C C . SER 133 133 ? A 12.000 -21.727 -8.270 1.000 1 A SER 96.039 1 +ATOM 1076 O O . SER 133 133 ? A 12.085 -20.542 -8.964 1.000 1 A SER 95.516 1 +ATOM 1077 C CB . SER 133 133 ? A 10.718 -23.614 -7.509 1.000 1 A SER 92.486 1 +ATOM 1078 O OG . SER 133 133 ? A 11.405 -22.537 -6.436 1.000 1 A SER 89.597 1 +ATOM 1079 N N . TRP 134 134 ? A 12.942 -26.068 -5.437 1.000 1 A TRP 94.004 1 +ATOM 1080 C CA . TRP 134 134 ? A 13.112 -24.298 -5.044 1.000 1 A TRP 95.016 1 +ATOM 1081 C C . TRP 134 134 ? A 14.084 -23.778 -3.824 1.000 1 A TRP 95.559 1 +ATOM 1082 O O . TRP 134 134 ? A 13.752 -24.754 -2.103 1.000 1 A TRP 94.008 1 +ATOM 1083 C CB . TRP 134 134 ? A 12.340 -24.165 -5.050 1.000 1 A TRP 94.888 1 +ATOM 1084 C CG . TRP 134 134 ? A 15.594 -18.251 -13.148 1.000 1 A TRP 95.978 1 +ATOM 1085 C CD1 . TRP 134 134 ? A 10.014 -27.297 -6.863 1.000 1 A TRP 95.060 1 +ATOM 1086 C CD2 . TRP 134 134 ? A 10.177 -24.963 -5.419 1.000 1 A TRP 96.035 1 +ATOM 1087 N NE1 . TRP 134 134 ? A 10.931 -25.782 -7.761 1.000 1 A TRP 95.600 1 +ATOM 1088 C CE2 . TRP 134 134 ? A 9.282 -25.504 -6.588 1.000 1 A TRP 95.897 1 +ATOM 1089 C CE3 . TRP 134 134 ? A 8.979 -23.818 -5.244 1.000 1 A TRP 96.362 1 +ATOM 1090 C CZ2 . TRP 134 134 ? A 7.198 -25.426 -7.264 1.000 1 A TRP 96.122 1 +ATOM 1091 C CZ3 . TRP 134 134 ? A 7.253 -23.741 -5.641 1.000 1 A TRP 96.837 1 +ATOM 1092 C CH2 . TRP 134 134 ? A 6.586 -24.661 -6.361 1.000 1 A TRP 96.563 1 +ATOM 1093 N N . THR 135 135 ? A 15.661 -19.453 -4.590 1.000 1 A THR 92.317 1 +ATOM 1094 C CA . THR 135 135 ? A 15.583 -19.219 -3.291 1.000 1 A THR 92.687 1 +ATOM 1095 C C . THR 135 135 ? A 15.746 -20.448 -2.273 1.000 1 A THR 94.033 1 +ATOM 1096 O O . THR 135 135 ? A 11.871 -27.315 -0.659 1.000 1 A THR 93.967 1 +ATOM 1097 C CB . THR 135 135 ? A 14.482 -18.226 -2.755 1.000 1 A THR 90.928 1 +ATOM 1098 O OG1 . THR 135 135 ? A 15.218 -16.923 -3.261 1.000 1 A THR 88.341 1 +ATOM 1099 C CG2 . THR 135 135 ? A 13.057 -21.291 -1.589 1.000 1 A THR 88.723 1 +ATOM 1100 N N . ALA 136 136 ? A 15.473 -24.901 -2.384 1.000 1 A ALA 95.304 1 +ATOM 1101 C CA . ALA 136 136 ? A 25.444 -25.683 -3.846 1.000 1 A ALA 96.567 1 +ATOM 1102 C C . ALA 136 136 ? A 14.464 -24.174 -0.341 1.000 1 A ALA 96.281 1 +ATOM 1103 O O . ALA 136 136 ? A 9.246 -13.800 2.615 1.000 1 A ALA 95.682 1 +ATOM 1104 C CB . ALA 136 136 ? A 10.511 -18.998 3.756 1.000 1 A ALA 96.670 1 +ATOM 1105 N N . ALA 137 137 ? A 15.034 -20.619 4.276 1.000 1 A ALA 89.343 1 +ATOM 1106 C CA . ALA 137 137 ? A 14.707 -20.073 2.668 1.000 1 A ALA 85.999 1 +ATOM 1107 C C . ALA 137 137 ? A 17.529 -21.634 4.397 1.000 1 A ALA 85.417 1 +ATOM 1108 O O . ALA 137 137 ? A 15.863 -21.461 -5.659 1.000 1 A ALA 85.665 1 +ATOM 1109 C CB . ALA 137 137 ? A 17.092 -23.013 8.948 1.000 1 A ALA 86.162 1 +ATOM 1110 N N . ASP 138 138 ? A 17.529 -24.465 7.078 1.000 1 A ASP 88.263 1 +ATOM 1111 C CA . ASP 138 138 ? A 18.039 -23.087 7.070 1.000 1 A ASP 87.287 1 +ATOM 1112 C C . ASP 138 138 ? A 14.311 -26.753 10.079 1.000 1 A ASP 88.552 1 +ATOM 1113 O O . ASP 138 138 ? A 16.938 -24.605 5.160 1.000 1 A ASP 89.862 1 +ATOM 1114 C CB . ASP 138 138 ? A 18.583 -23.096 6.827 1.000 1 A ASP 83.763 1 +ATOM 1115 C CG . ASP 138 138 ? A 8.738 -11.818 5.661 1.000 1 A ASP 87.720 1 +ATOM 1116 O OD1 . ASP 138 138 ? A 15.106 -23.134 6.949 1.000 1 A ASP 83.279 1 +ATOM 1117 O OD2 . ASP 138 138 ? A 15.015 -26.870 7.229 1.000 1 A ASP 82.040 1 +ATOM 1118 N N . THR 139 139 ? A 18.274 -25.771 5.784 1.000 1 A THR 93.401 1 +ATOM 1119 C CA . THR 139 139 ? A 16.726 -26.618 6.791 1.000 1 A THR 94.439 1 +ATOM 1120 C C . THR 139 139 ? A 15.104 -27.179 6.973 1.000 1 A THR 95.227 1 +ATOM 1121 O O . THR 139 139 ? A 14.264 -27.674 6.801 1.000 1 A THR 95.353 1 +ATOM 1122 C CB . THR 139 139 ? A 17.368 -27.188 7.327 1.000 1 A THR 92.051 1 +ATOM 1123 O OG1 . THR 139 139 ? A 17.451 -26.628 8.199 1.000 1 A THR 83.188 1 +ATOM 1124 C CG2 . THR 139 139 ? A 18.831 -27.000 6.832 1.000 1 A THR 80.557 1 +ATOM 1125 N N . ALA 140 140 ? A 14.441 -26.420 7.586 1.000 1 A ALA 94.268 1 +ATOM 1126 C CA . ALA 140 140 ? A 12.857 -27.162 6.942 1.000 1 A ALA 95.273 1 +ATOM 1127 C C . ALA 140 140 ? A 12.115 -27.270 6.733 1.000 1 A ALA 96.094 1 +ATOM 1128 O O . ALA 140 140 ? A 11.338 -27.445 6.039 1.000 1 A ALA 95.693 1 +ATOM 1129 C CB . ALA 140 140 ? A 11.872 -26.591 8.654 1.000 1 A ALA 94.505 1 +ATOM 1130 N N . ALA 141 141 ? A 12.566 -25.919 4.845 1.000 1 A ALA 94.294 1 +ATOM 1131 C CA . ALA 141 141 ? A 12.008 -25.817 4.113 1.000 1 A ALA 96.022 1 +ATOM 1132 C C . ALA 141 141 ? A 12.424 -26.818 3.271 1.000 1 A ALA 96.426 1 +ATOM 1133 O O . ALA 141 141 ? A 11.133 -27.256 2.455 1.000 1 A ALA 96.718 1 +ATOM 1134 C CB . ALA 141 141 ? A 11.825 -24.717 3.647 1.000 1 A ALA 96.226 1 +ATOM 1135 N N . GLN 142 142 ? A 16.860 -25.466 6.015 1.000 1 A GLN 95.776 1 +ATOM 1136 C CA . GLN 142 142 ? A 12.935 -32.526 -1.330 1.000 1 A GLN 96.191 1 +ATOM 1137 C C . GLN 142 142 ? A 15.051 -27.829 3.094 1.000 1 A GLN 95.018 1 +ATOM 1138 O O . GLN 142 142 ? A 15.444 -29.191 3.895 1.000 1 A GLN 95.230 1 +ATOM 1139 C CB . GLN 142 142 ? A 17.957 -26.284 4.934 1.000 1 A GLN 96.091 1 +ATOM 1140 C CG . GLN 142 142 ? A 11.714 -29.451 -0.905 1.000 1 A GLN 94.350 1 +ATOM 1141 C CD . GLN 142 142 ? A 14.233 -29.155 1.662 1.000 1 A GLN 93.129 1 +ATOM 1142 O OE1 . GLN 142 142 ? A 13.872 -28.986 2.280 1.000 1 A GLN 82.400 1 +ATOM 1143 N NE2 . GLN 142 142 ? A 12.900 -29.822 1.389 1.000 1 A GLN 77.423 1 +ATOM 1144 N N . ILE 143 143 ? A 12.224 -29.466 3.915 1.000 1 A ILE 97.756 1 +ATOM 1145 C CA . ILE 143 143 ? A 11.787 -30.578 4.039 1.000 1 A ILE 97.167 1 +ATOM 1146 C C . ILE 143 143 ? A 10.252 -30.233 3.173 1.000 1 A ILE 97.203 1 +ATOM 1147 O O . ILE 143 143 ? A 10.017 -30.582 2.177 1.000 1 A ILE 97.055 1 +ATOM 1148 C CB . ILE 143 143 ? A 11.417 -31.348 4.258 1.000 1 A ILE 96.995 1 +ATOM 1149 C CG1 . ILE 143 143 ? A 12.819 -31.681 3.858 1.000 1 A ILE 95.058 1 +ATOM 1150 C CG2 . ILE 143 143 ? A 12.125 -30.428 5.048 1.000 1 A ILE 95.163 1 +ATOM 1151 C CD1 . ILE 143 143 ? A 14.356 -30.900 4.376 1.000 1 A ILE 82.340 1 +ATOM 1152 N N . THR 144 144 ? A 9.545 -28.380 1.741 1.000 1 A THR 96.992 1 +ATOM 1153 C CA . THR 144 144 ? A 8.474 -28.624 1.703 1.000 1 A THR 97.248 1 +ATOM 1154 C C . THR 144 144 ? A 9.191 -29.675 0.775 1.000 1 A THR 97.426 1 +ATOM 1155 O O . THR 144 144 ? A 8.880 -29.936 0.084 1.000 1 A THR 97.236 1 +ATOM 1156 C CB . THR 144 144 ? A 7.670 -28.041 1.732 1.000 1 A THR 97.547 1 +ATOM 1157 O OG1 . THR 144 144 ? A 7.350 -27.028 1.973 1.000 1 A THR 96.805 1 +ATOM 1158 C CG2 . THR 144 144 ? A 8.042 -28.312 1.371 1.000 1 A THR 97.107 1 +ATOM 1159 N N . GLN 145 145 ? A 12.604 -30.410 1.615 1.000 1 A GLN 95.358 1 +ATOM 1160 C CA . GLN 145 145 ? A 13.355 -30.177 -2.398 1.000 1 A GLN 94.310 1 +ATOM 1161 C C . GLN 145 145 ? A 10.664 -28.434 -6.380 1.000 1 A GLN 93.713 1 +ATOM 1162 O O . GLN 145 145 ? A 12.476 -32.372 -0.509 1.000 1 A GLN 94.684 1 +ATOM 1163 C CB . GLN 145 145 ? A 11.797 -26.962 -5.803 1.000 1 A GLN 95.163 1 +ATOM 1164 C CG . GLN 145 145 ? A 12.662 -28.814 -5.048 1.000 1 A GLN 95.595 1 +ATOM 1165 C CD . GLN 145 145 ? A 11.264 -28.261 -2.840 1.000 1 A GLN 93.995 1 +ATOM 1166 O OE1 . GLN 145 145 ? A 11.190 -26.471 -3.089 1.000 1 A GLN 84.416 1 +ATOM 1167 N NE2 . GLN 145 145 ? A 9.967 -25.328 -4.194 1.000 1 A GLN 80.912 1 +ATOM 1168 N N . ARG 146 146 ? A 11.622 -31.297 -1.863 1.000 1 A ARG 94.605 1 +ATOM 1169 C CA . ARG 146 146 ? A 11.418 -32.847 -1.794 1.000 1 A ARG 93.475 1 +ATOM 1170 C C . ARG 146 146 ? A 9.582 -34.766 -1.722 1.000 1 A ARG 92.483 1 +ATOM 1171 O O . ARG 146 146 ? A 10.267 -33.127 -0.100 1.000 1 A ARG 93.272 1 +ATOM 1172 C CB . ARG 146 146 ? A 12.284 -33.251 -1.061 1.000 1 A ARG 93.271 1 +ATOM 1173 C CG . ARG 146 146 ? A 12.574 -32.493 -0.109 1.000 1 A ARG 88.304 1 +ATOM 1174 C CD . ARG 146 146 ? A 13.258 -33.183 0.144 1.000 1 A ARG 75.033 1 +ATOM 1175 N NE . ARG 146 146 ? A 14.529 -32.854 -0.437 1.000 1 A ARG 68.750 1 +ATOM 1176 C CZ . ARG 146 146 ? A 14.905 -33.275 -1.600 1.000 1 A ARG 56.755 1 +ATOM 1177 N NH1 . ARG 146 146 ? A 15.439 -34.250 -1.761 1.000 1 A ARG 54.245 1 +ATOM 1178 N NH2 . ARG 146 146 ? A 15.521 -31.799 -1.808 1.000 1 A ARG 54.571 1 +ATOM 1179 N N . LYS 147 147 ? A 9.111 -32.527 -1.906 1.000 1 A LYS 92.498 1 +ATOM 1180 C CA . LYS 147 147 ? A 7.032 -32.708 -1.726 1.000 1 A LYS 91.790 1 +ATOM 1181 C C . LYS 147 147 ? A 6.783 -32.280 -3.117 1.000 1 A LYS 93.115 1 +ATOM 1182 O O . LYS 147 147 ? A 6.138 -33.018 -3.620 1.000 1 A LYS 92.233 1 +ATOM 1183 C CB . LYS 147 147 ? A 6.948 -32.422 -1.031 1.000 1 A LYS 91.335 1 +ATOM 1184 C CG . LYS 147 147 ? A 6.255 -33.209 0.307 1.000 1 A LYS 81.179 1 +ATOM 1185 C CD . LYS 147 147 ? A 6.036 -33.172 1.191 1.000 1 A LYS 81.129 1 +ATOM 1186 C CE . LYS 147 147 ? A 5.013 -32.969 1.469 1.000 1 A LYS 77.109 1 +ATOM 1187 N NZ . LYS 147 147 ? A 4.874 -33.625 1.057 1.000 1 A LYS 78.073 1 +ATOM 1188 N N . TRP 148 148 ? A 6.200 -30.667 -4.499 1.000 1 A TRP 96.677 1 +ATOM 1189 C CA . TRP 148 148 ? A 7.212 -30.467 -5.403 1.000 1 A TRP 96.985 1 +ATOM 1190 C C . TRP 148 148 ? A 8.239 -31.582 -4.811 1.000 1 A TRP 96.847 1 +ATOM 1191 O O . TRP 148 148 ? A 8.030 -32.335 -3.892 1.000 1 A TRP 96.347 1 +ATOM 1192 C CB . TRP 148 148 ? A 6.958 -29.020 -5.158 1.000 1 A TRP 97.360 1 +ATOM 1193 C CG . TRP 148 148 ? A 6.795 -28.461 -3.936 1.000 1 A TRP 97.785 1 +ATOM 1194 C CD1 . TRP 148 148 ? A 6.526 -29.072 -3.150 1.000 1 A TRP 97.096 1 +ATOM 1195 C CD2 . TRP 148 148 ? A 7.664 -27.336 -2.814 1.000 1 A TRP 97.630 1 +ATOM 1196 N NE1 . TRP 148 148 ? A 5.272 -28.175 -3.148 1.000 1 A TRP 97.260 1 +ATOM 1197 C CE2 . TRP 148 148 ? A 6.531 -27.634 -2.732 1.000 1 A TRP 97.425 1 +ATOM 1198 C CE3 . TRP 148 148 ? A 6.029 -26.169 -3.768 1.000 1 A TRP 97.495 1 +ATOM 1199 C CZ2 . TRP 148 148 ? A 5.486 -26.245 -2.615 1.000 1 A TRP 97.087 1 +ATOM 1200 C CZ3 . TRP 148 148 ? A 5.713 -24.923 -2.857 1.000 1 A TRP 97.200 1 +ATOM 1201 C CH2 . TRP 148 148 ? A 7.878 -25.356 -1.977 1.000 1 A TRP 97.084 1 +ATOM 1202 N N . GLU 149 149 ? A 9.354 -31.093 -6.961 1.000 1 A GLU 95.828 1 +ATOM 1203 C CA . GLU 149 149 ? A 9.766 -31.721 -6.523 1.000 1 A GLU 94.857 1 +ATOM 1204 C C . GLU 149 149 ? A 9.648 -32.956 -6.524 1.000 1 A GLU 94.262 1 +ATOM 1205 O O . GLU 149 149 ? A 10.279 -33.411 -6.613 1.000 1 A GLU 93.612 1 +ATOM 1206 C CB . GLU 149 149 ? A 10.915 -31.895 -5.381 1.000 1 A GLU 94.016 1 +ATOM 1207 C CG . GLU 149 149 ? A 11.794 -30.951 -5.544 1.000 1 A GLU 93.112 1 +ATOM 1208 C CD . GLU 149 149 ? A 12.287 -31.007 -5.947 1.000 1 A GLU 93.114 1 +ATOM 1209 O OE1 . GLU 149 149 ? A 13.646 -31.003 -6.488 1.000 1 A GLU 89.600 1 +ATOM 1210 O OE2 . GLU 149 149 ? A 13.227 -29.875 -4.603 1.000 1 A GLU 90.246 1 +ATOM 1211 N N . ALA 150 150 ? A 7.981 -34.563 -7.981 1.000 1 A ALA 95.124 1 +ATOM 1212 C CA . ALA 150 150 ? A 7.780 -35.354 -6.741 1.000 1 A ALA 94.150 1 +ATOM 1213 C C . ALA 150 150 ? A 9.102 -30.444 -7.178 1.000 1 A ALA 93.781 1 +ATOM 1214 O O . ALA 150 150 ? A 9.475 -36.131 -5.068 1.000 1 A ALA 93.580 1 +ATOM 1215 C CB . ALA 150 150 ? A 6.971 -36.811 -6.366 1.000 1 A ALA 93.964 1 +ATOM 1216 N N . ALA 151 151 ? A 9.563 -34.415 -7.551 1.000 1 A ALA 93.078 1 +ATOM 1217 C CA . ALA 151 151 ? A 5.524 -30.025 -5.184 1.000 1 A ALA 91.913 1 +ATOM 1218 C C . ALA 151 151 ? A 1.552 -34.064 -9.649 1.000 1 A ALA 92.089 1 +ATOM 1219 O O . ALA 151 151 ? A 8.963 -33.990 -8.618 1.000 1 A ALA 91.422 1 +ATOM 1220 C CB . ALA 151 151 ? A 5.945 -33.838 -6.564 1.000 1 A ALA 90.858 1 +ATOM 1221 N N . ARG 152 152 ? A 4.476 -31.352 -11.645 1.000 1 A ARG 90.255 1 +ATOM 1222 C CA . ARG 152 152 ? A 9.633 -38.605 -7.621 1.000 1 A ARG 90.352 1 +ATOM 1223 C C . ARG 152 152 ? A 4.672 -29.643 -12.373 1.000 1 A ARG 89.875 1 +ATOM 1224 O O . ARG 152 152 ? A 5.878 -29.245 -11.212 1.000 1 A ARG 90.358 1 +ATOM 1225 C CB . ARG 152 152 ? A 4.265 -30.853 -10.229 1.000 1 A ARG 90.161 1 +ATOM 1226 C CG . ARG 152 152 ? A 4.477 -30.053 -11.398 1.000 1 A ARG 84.621 1 +ATOM 1227 C CD . ARG 152 152 ? A 4.227 -30.902 -9.466 1.000 1 A ARG 74.448 1 +ATOM 1228 N NE . ARG 152 152 ? A 6.464 -36.487 -9.324 1.000 1 A ARG 69.096 1 +ATOM 1229 C CZ . ARG 152 152 ? A 4.419 -35.178 -11.871 1.000 1 A ARG 62.051 1 +ATOM 1230 N NH1 . ARG 152 152 ? A 3.689 -31.913 -16.980 1.000 1 A ARG 56.886 1 +ATOM 1231 N NH2 . ARG 152 152 ? A 5.828 -39.199 -11.270 1.000 1 A ARG 56.816 1 +ATOM 1232 N N . GLU 153 153 ? A 6.824 -30.986 -7.557 1.000 1 A GLU 88.584 1 +ATOM 1233 C CA . GLU 153 153 ? A 1.521 -26.098 -8.114 1.000 1 A GLU 91.543 1 +ATOM 1234 C C . GLU 153 153 ? A 5.245 -27.994 -8.631 1.000 1 A GLU 92.817 1 +ATOM 1235 O O . GLU 153 153 ? A 5.311 -27.263 -9.407 1.000 1 A GLU 92.047 1 +ATOM 1236 C CB . GLU 153 153 ? A 6.220 -29.608 -7.800 1.000 1 A GLU 90.088 1 +ATOM 1237 C CG . GLU 153 153 ? A 3.308 -28.670 -8.572 1.000 1 A GLU 87.244 1 +ATOM 1238 C CD . GLU 153 153 ? A 3.245 -28.498 -8.182 1.000 1 A GLU 87.015 1 +ATOM 1239 O OE1 . GLU 153 153 ? A 1.375 -26.741 -9.233 1.000 1 A GLU 75.380 1 +ATOM 1240 O OE2 . GLU 153 153 ? A -0.383 -26.713 -8.230 1.000 1 A GLU 76.311 1 +ATOM 1241 N N . ALA 154 154 ? A 5.012 -27.773 -8.590 1.000 1 A ALA 91.394 1 +ATOM 1242 C CA . ALA 154 154 ? A 5.616 -26.068 -9.736 1.000 1 A ALA 92.400 1 +ATOM 1243 C C . ALA 154 154 ? A 5.128 -25.945 -10.579 1.000 1 A ALA 92.923 1 +ATOM 1244 O O . ALA 154 154 ? A 5.830 -25.621 -11.701 1.000 1 A ALA 93.647 1 +ATOM 1245 C CB . ALA 154 154 ? A 6.618 -26.588 -9.712 1.000 1 A ALA 92.941 1 +ATOM 1246 N N . GLU 155 155 ? A 4.462 -26.310 -11.520 1.000 1 A GLU 93.528 1 +ATOM 1247 C CA . GLU 155 155 ? A 4.331 -26.988 -12.692 1.000 1 A GLU 92.902 1 +ATOM 1248 C C . GLU 155 155 ? A 2.986 -25.756 -12.604 1.000 1 A GLU 92.033 1 +ATOM 1249 O O . GLU 155 155 ? A 3.397 -25.084 -13.440 1.000 1 A GLU 93.010 1 +ATOM 1250 C CB . GLU 155 155 ? A 4.314 -28.101 -13.158 1.000 1 A GLU 92.783 1 +ATOM 1251 C CG . GLU 155 155 ? A 5.392 -28.472 -14.097 1.000 1 A GLU 78.899 1 +ATOM 1252 C CD . GLU 155 155 ? A 5.081 -28.408 -15.050 1.000 1 A GLU 73.207 1 +ATOM 1253 O OE1 . GLU 155 155 ? A 5.545 -28.405 -16.202 1.000 1 A GLU 70.302 1 +ATOM 1254 O OE2 . GLU 155 155 ? A 6.791 -28.342 -15.303 1.000 1 A GLU 65.506 1 +ATOM 1255 N N . GLN 156 156 ? A 1.564 -26.570 -11.580 1.000 1 A GLN 89.303 1 +ATOM 1256 C CA . GLN 156 156 ? A 0.770 -25.151 -11.688 1.000 1 A GLN 87.858 1 +ATOM 1257 C C . GLN 156 156 ? A 1.275 -24.116 -11.277 1.000 1 A GLN 89.324 1 +ATOM 1258 O O . GLN 156 156 ? A 1.636 -24.010 -11.273 1.000 1 A GLN 90.368 1 +ATOM 1259 C CB . GLN 156 156 ? A 0.377 -25.570 -11.316 1.000 1 A GLN 85.217 1 +ATOM 1260 C CG . GLN 156 156 ? A -0.230 -26.443 -11.449 1.000 1 A GLN 74.816 1 +ATOM 1261 C CD . GLN 156 156 ? A -0.797 -26.700 -11.861 1.000 1 A GLN 67.491 1 +ATOM 1262 O OE1 . GLN 156 156 ? A -2.148 -26.291 -12.167 1.000 1 A GLN 61.438 1 +ATOM 1263 N NE2 . GLN 156 156 ? A -1.764 -28.396 -11.199 1.000 1 A GLN 58.280 1 +ATOM 1264 N N . ARG 157 157 ? A 2.797 -21.504 -12.138 1.000 1 A ARG 93.523 1 +ATOM 1265 C CA . ARG 157 157 ? A 3.199 -21.522 -9.938 1.000 1 A ARG 94.445 1 +ATOM 1266 C C . ARG 157 157 ? A 3.661 -22.839 -10.842 1.000 1 A ARG 95.100 1 +ATOM 1267 O O . ARG 157 157 ? A 2.749 -22.626 -10.275 1.000 1 A ARG 94.551 1 +ATOM 1268 C CB . ARG 157 157 ? A 2.408 -22.176 -9.391 1.000 1 A ARG 93.753 1 +ATOM 1269 C CG . ARG 157 157 ? A 2.364 -22.576 -8.186 1.000 1 A ARG 91.108 1 +ATOM 1270 C CD . ARG 157 157 ? A 1.313 -23.117 -8.097 1.000 1 A ARG 87.035 1 +ATOM 1271 N NE . ARG 157 157 ? A 1.367 -22.355 -7.013 1.000 1 A ARG 85.582 1 +ATOM 1272 C CZ . ARG 157 157 ? A 2.099 -22.757 -6.735 1.000 1 A ARG 83.324 1 +ATOM 1273 N NH1 . ARG 157 157 ? A 2.347 -23.267 -7.708 1.000 1 A ARG 74.941 1 +ATOM 1274 N NH2 . ARG 157 157 ? A 2.327 -22.564 -5.259 1.000 1 A ARG 77.865 1 +ATOM 1275 N N . ARG 158 158 ? A 4.207 -22.746 -13.102 1.000 1 A ARG 92.065 1 +ATOM 1276 C CA . ARG 158 158 ? A 5.600 -17.847 -15.281 1.000 1 A ARG 91.552 1 +ATOM 1277 C C . ARG 158 158 ? A 2.638 -23.153 -14.116 1.000 1 A ARG 89.478 1 +ATOM 1278 O O . ARG 158 158 ? A 4.731 -22.273 -13.074 1.000 1 A ARG 92.318 1 +ATOM 1279 C CB . ARG 158 158 ? A 6.805 -22.437 -14.528 1.000 1 A ARG 93.043 1 +ATOM 1280 C CG . ARG 158 158 ? A 3.575 -24.420 -12.292 1.000 1 A ARG 92.597 1 +ATOM 1281 C CD . ARG 158 158 ? A 4.929 -25.874 -14.276 1.000 1 A ARG 87.775 1 +ATOM 1282 N NE . ARG 158 158 ? A 5.999 -23.194 -15.999 1.000 1 A ARG 75.480 1 +ATOM 1283 C CZ . ARG 158 158 ? A 6.492 -20.263 -17.450 1.000 1 A ARG 67.143 1 +ATOM 1284 N NH1 . ARG 158 158 ? A 5.216 -20.401 -17.303 1.000 1 A ARG 64.657 1 +ATOM 1285 N NH2 . ARG 158 158 ? A 7.365 -20.631 -18.093 1.000 1 A ARG 57.894 1 +ATOM 1286 N N . ALA 159 159 ? A 1.844 -22.247 -16.552 1.000 1 A ALA 94.234 1 +ATOM 1287 C CA . ALA 159 159 ? A 0.568 -21.888 -13.250 1.000 1 A ALA 93.263 1 +ATOM 1288 C C . ALA 159 159 ? A 0.847 -21.707 -17.280 1.000 1 A ALA 93.126 1 +ATOM 1289 O O . ALA 159 159 ? A 1.359 -22.618 -19.878 1.000 1 A ALA 93.787 1 +ATOM 1290 C CB . ALA 159 159 ? A 1.695 -22.715 -14.346 1.000 1 A ALA 93.441 1 +ATOM 1291 N N . TYR 160 160 ? A -0.310 -20.351 -14.491 1.000 1 A TYR 92.875 1 +ATOM 1292 C CA . TYR 160 160 ? A -0.750 -19.890 -14.938 1.000 1 A TYR 93.396 1 +ATOM 1293 C C . TYR 160 160 ? A -0.858 -19.314 -14.898 1.000 1 A TYR 94.568 1 +ATOM 1294 O O . TYR 160 160 ? A -1.854 -17.735 -14.071 1.000 1 A TYR 94.961 1 +ATOM 1295 C CB . TYR 160 160 ? A 4.785 -11.673 -11.402 1.000 1 A TYR 93.438 1 +ATOM 1296 C CG . TYR 160 160 ? A 2.318 -26.707 -22.602 1.000 1 A TYR 92.071 1 +ATOM 1297 C CD1 . TYR 160 160 ? A -3.429 -19.438 -11.982 1.000 1 A TYR 90.704 1 +ATOM 1298 C CD2 . TYR 160 160 ? A -2.410 -18.677 -11.420 1.000 1 A TYR 91.176 1 +ATOM 1299 C CE1 . TYR 160 160 ? A -8.755 -20.486 -7.999 1.000 1 A TYR 88.481 1 +ATOM 1300 C CE2 . TYR 160 160 ? A -3.025 -18.618 -10.644 1.000 1 A TYR 90.043 1 +ATOM 1301 C CZ . TYR 160 160 ? A -2.725 -21.730 -13.792 1.000 1 A TYR 88.387 1 +ATOM 1302 O OH . TYR 160 160 ? A -4.150 -22.445 -14.231 1.000 1 A TYR 86.062 1 +ATOM 1303 N N . LEU 161 161 ? A 3.013 -20.141 -20.207 1.000 1 A LEU 93.714 1 +ATOM 1304 C CA . LEU 161 161 ? A 2.508 -14.324 -12.210 1.000 1 A LEU 94.427 1 +ATOM 1305 C C . LEU 161 161 ? A 3.127 -22.570 -17.324 1.000 1 A LEU 94.200 1 +ATOM 1306 O O . LEU 161 161 ? A 2.028 -12.389 -12.210 1.000 1 A LEU 94.089 1 +ATOM 1307 C CB . LEU 161 161 ? A 3.158 -14.191 -11.796 1.000 1 A LEU 95.577 1 +ATOM 1308 C CG . LEU 161 161 ? A 0.810 -16.429 -15.300 1.000 1 A LEU 95.507 1 +ATOM 1309 C CD1 . LEU 161 161 ? A 7.403 -26.289 -6.179 1.000 1 A LEU 94.306 1 +ATOM 1310 C CD2 . LEU 161 161 ? A -0.165 -16.841 -18.095 1.000 1 A LEU 94.392 1 +ATOM 1311 N N . GLU 162 162 ? A 6.747 -21.676 -13.233 1.000 1 A GLU 93.493 1 +ATOM 1312 C CA . GLU 162 162 ? A 5.713 -19.477 -13.999 1.000 1 A GLU 90.788 1 +ATOM 1313 C C . GLU 162 162 ? A 1.945 -13.203 -18.107 1.000 1 A GLU 88.396 1 +ATOM 1314 O O . GLU 162 162 ? A 0.439 -11.004 -19.081 1.000 1 A GLU 84.453 1 +ATOM 1315 C CB . GLU 162 162 ? A 1.369 -11.607 -15.874 1.000 1 A GLU 89.480 1 +ATOM 1316 C CG . GLU 162 162 ? A 6.029 -20.803 -16.077 1.000 1 A GLU 88.601 1 +ATOM 1317 C CD . GLU 162 162 ? A 3.070 -10.941 -15.117 1.000 1 A GLU 88.374 1 +ATOM 1318 O OE1 . GLU 162 162 ? A 8.939 -23.763 -18.237 1.000 1 A GLU 82.730 1 +ATOM 1319 O OE2 . GLU 162 162 ? A 8.345 -22.217 -15.906 1.000 1 A GLU 82.657 1 +ATOM 1320 N N . GLY 163 163 ? A 2.675 -17.049 -17.226 1.000 1 A GLY 86.065 1 +ATOM 1321 C CA . GLY 163 163 ? A 1.697 -17.731 -18.587 1.000 1 A GLY 85.602 1 +ATOM 1322 C C . GLY 163 163 ? A 0.197 -16.473 -17.679 1.000 1 A GLY 89.118 1 +ATOM 1323 O O . GLY 163 163 ? A -0.295 -16.880 -16.554 1.000 1 A GLY 87.459 1 +ATOM 1324 N N . THR 164 164 ? A -0.337 -15.471 -15.894 1.000 1 A THR 91.832 1 +ATOM 1325 C CA . THR 164 164 ? A -0.450 -14.660 -17.729 1.000 1 A THR 93.540 1 +ATOM 1326 C C . THR 164 164 ? A -1.271 -13.958 -18.485 1.000 1 A THR 94.629 1 +ATOM 1327 O O . THR 164 164 ? A -3.143 -13.626 -18.044 1.000 1 A THR 94.047 1 +ATOM 1328 C CB . THR 164 164 ? A -0.708 -15.583 -18.836 1.000 1 A THR 93.152 1 +ATOM 1329 O OG1 . THR 164 164 ? A -0.908 -14.222 -19.588 1.000 1 A THR 88.620 1 +ATOM 1330 C CG2 . THR 164 164 ? A -0.267 -16.247 -20.011 1.000 1 A THR 90.604 1 +ATOM 1331 N N . CYS 165 165 ? A -3.245 -13.040 -16.603 1.000 1 A CYS 95.219 1 +ATOM 1332 C CA . CYS 165 165 ? A -0.062 -14.050 -13.177 1.000 1 A CYS 95.966 1 +ATOM 1333 C C . CYS 165 165 ? A -1.788 -12.815 -18.518 1.000 1 A CYS 95.710 1 +ATOM 1334 O O . CYS 165 165 ? A -2.285 -15.913 -22.187 1.000 1 A CYS 95.630 1 +ATOM 1335 C CB . CYS 165 165 ? A 0.236 -14.363 -12.581 1.000 1 A CYS 96.307 1 +ATOM 1336 S SG . CYS 165 165 ? A -1.067 -14.692 -12.325 1.000 1 A CYS 96.389 1 +ATOM 1337 N N . VAL 166 166 ? A 6.035 -16.515 -22.395 1.000 1 A VAL 96.161 1 +ATOM 1338 C CA . VAL 166 166 ? A 3.672 -15.156 -20.531 1.000 1 A VAL 95.787 1 +ATOM 1339 C C . VAL 166 166 ? A -10.538 -10.001 -19.562 1.000 1 A VAL 95.521 1 +ATOM 1340 O O . VAL 166 166 ? A -0.741 -10.454 -20.061 1.000 1 A VAL 95.230 1 +ATOM 1341 C CB . VAL 166 166 ? A 0.814 -13.349 -18.312 1.000 1 A VAL 95.043 1 +ATOM 1342 C CG1 . VAL 166 166 ? A 7.195 -17.586 -22.171 1.000 1 A VAL 94.391 1 +ATOM 1343 C CG2 . VAL 166 166 ? A -4.865 -9.554 -14.504 1.000 1 A VAL 91.514 1 +ATOM 1344 N N . GLU 167 167 ? A -2.953 -10.825 -21.296 1.000 1 A GLU 96.191 1 +ATOM 1345 C CA . GLU 167 167 ? A -4.172 -10.180 -16.618 1.000 1 A GLU 95.433 1 +ATOM 1346 C C . GLU 167 167 ? A -2.503 -7.101 -16.446 1.000 1 A GLU 95.281 1 +ATOM 1347 O O . GLU 167 167 ? A -12.771 -13.006 -14.802 1.000 1 A GLU 94.860 1 +ATOM 1348 C CB . GLU 167 167 ? A -4.165 -10.896 -14.783 1.000 1 A GLU 95.105 1 +ATOM 1349 C CG . GLU 167 167 ? A -4.061 -12.857 -18.479 1.000 1 A GLU 81.711 1 +ATOM 1350 C CD . GLU 167 167 ? A -2.803 -25.089 -18.442 1.000 1 A GLU 68.460 1 +ATOM 1351 O OE1 . GLU 167 167 ? A -3.610 -12.510 -24.666 1.000 1 A GLU 68.448 1 +ATOM 1352 O OE2 . GLU 167 167 ? A -6.755 -3.625 -17.411 1.000 1 A GLU 62.938 1 +ATOM 1353 N N . TRP 168 168 ? A -6.281 -12.951 -15.402 1.000 1 A TRP 93.332 1 +ATOM 1354 C CA . TRP 168 168 ? A -6.549 -11.667 -15.180 1.000 1 A TRP 94.400 1 +ATOM 1355 C C . TRP 168 168 ? A 2.976 -5.738 -23.402 1.000 1 A TRP 95.093 1 +ATOM 1356 O O . TRP 168 168 ? A -11.815 -11.090 -9.640 1.000 1 A TRP 95.055 1 +ATOM 1357 C CB . TRP 168 168 ? A -6.107 -10.941 -13.901 1.000 1 A TRP 94.683 1 +ATOM 1358 C CG . TRP 168 168 ? A -13.626 -17.151 -23.125 1.000 1 A TRP 94.012 1 +ATOM 1359 C CD1 . TRP 168 168 ? A -12.504 -16.039 -19.877 1.000 1 A TRP 89.783 1 +ATOM 1360 C CD2 . TRP 168 168 ? A -16.068 -4.174 -13.966 1.000 1 A TRP 92.303 1 +ATOM 1361 N NE1 . TRP 168 168 ? A 4.435 -8.388 -20.044 1.000 1 A TRP 88.942 1 +ATOM 1362 C CE2 . TRP 168 168 ? A -1.416 -17.379 -12.643 1.000 1 A TRP 89.806 1 +ATOM 1363 C CE3 . TRP 168 168 ? A -16.626 -17.275 -26.665 1.000 1 A TRP 82.726 1 +ATOM 1364 C CZ2 . TRP 168 168 ? A -6.114 -13.144 -10.732 1.000 1 A TRP 87.939 1 +ATOM 1365 C CZ3 . TRP 168 168 ? A -18.791 -20.969 -15.406 1.000 1 A TRP 86.175 1 +ATOM 1366 C CH2 . TRP 168 168 ? A -6.896 -13.452 -10.153 1.000 1 A TRP 86.326 1 +ATOM 1367 N N . LEU 169 169 ? A -6.230 -11.783 -7.240 1.000 1 A LEU 95.680 1 +ATOM 1368 C CA . LEU 169 169 ? A -0.441 -4.978 -21.271 1.000 1 A LEU 95.511 1 +ATOM 1369 C C . LEU 169 169 ? A -3.069 -7.325 -16.780 1.000 1 A LEU 95.026 1 +ATOM 1370 O O . LEU 169 169 ? A 1.621 -2.559 -22.296 1.000 1 A LEU 94.241 1 +ATOM 1371 C CB . LEU 169 169 ? A -3.855 -7.478 -16.468 1.000 1 A LEU 95.105 1 +ATOM 1372 C CG . LEU 169 169 ? A -7.445 -9.083 -9.127 1.000 1 A LEU 94.621 1 +ATOM 1373 C CD1 . LEU 169 169 ? A -5.390 -4.904 -22.793 1.000 1 A LEU 93.973 1 +ATOM 1374 C CD2 . LEU 169 169 ? A -6.744 -7.022 -12.344 1.000 1 A LEU 93.456 1 +ATOM 1375 N N . ARG 170 170 ? A -5.368 -10.409 -17.849 1.000 1 A ARG 91.450 1 +ATOM 1376 C CA . ARG 170 170 ? A -8.415 -7.978 -17.269 1.000 1 A ARG 89.765 1 +ATOM 1377 C C . ARG 170 170 ? A -7.117 -11.942 -17.701 1.000 1 A ARG 88.319 1 +ATOM 1378 O O . ARG 170 170 ? A -4.166 -13.142 -17.998 1.000 1 A ARG 89.205 1 +ATOM 1379 C CB . ARG 170 170 ? A -8.680 -8.176 -20.951 1.000 1 A ARG 89.129 1 +ATOM 1380 C CG . ARG 170 170 ? A -8.816 -7.082 -22.028 1.000 1 A ARG 87.746 1 +ATOM 1381 C CD . ARG 170 170 ? A -0.554 -10.908 -30.906 1.000 1 A ARG 83.975 1 +ATOM 1382 N NE . ARG 170 170 ? A -8.499 -1.302 -9.042 1.000 1 A ARG 72.388 1 +ATOM 1383 C CZ . ARG 170 170 ? A -5.698 -10.220 -9.582 1.000 1 A ARG 64.828 1 +ATOM 1384 N NH1 . ARG 170 170 ? A 1.893 -7.641 -28.576 1.000 1 A ARG 60.747 1 +ATOM 1385 N NH2 . ARG 170 170 ? A -4.800 -3.385 -28.126 1.000 1 A ARG 54.521 1 +ATOM 1386 N N . ARG 171 171 ? A 5.047 -15.939 -25.250 1.000 1 A ARG 93.650 1 +ATOM 1387 C CA . ARG 171 171 ? A -16.234 -6.507 -8.053 1.000 1 A ARG 93.544 1 +ATOM 1388 C C . ARG 171 171 ? A -19.400 -5.898 -3.981 1.000 1 A ARG 93.885 1 +ATOM 1389 O O . ARG 171 171 ? A -8.277 -9.152 -22.700 1.000 1 A ARG 94.272 1 +ATOM 1390 C CB . ARG 171 171 ? A -6.430 -9.629 -21.793 1.000 1 A ARG 94.616 1 +ATOM 1391 C CG . ARG 171 171 ? A -14.577 -3.164 -8.753 1.000 1 A ARG 90.556 1 +ATOM 1392 C CD . ARG 171 171 ? A -4.415 -3.574 -14.066 1.000 1 A ARG 87.793 1 +ATOM 1393 N NE . ARG 171 171 ? A -6.591 -4.044 -13.923 1.000 1 A ARG 86.014 1 +ATOM 1394 C CZ . ARG 171 171 ? A -24.111 -3.483 -24.766 1.000 1 A ARG 83.310 1 +ATOM 1395 N NH1 . ARG 171 171 ? A -7.669 -7.677 -21.215 1.000 1 A ARG 77.445 1 +ATOM 1396 N NH2 . ARG 171 171 ? A -7.050 -20.148 -13.984 1.000 1 A ARG 81.141 1 +ATOM 1397 N N . TYR 172 172 ? A -10.292 -8.057 -15.914 1.000 1 A TYR 94.153 1 +ATOM 1398 C CA . TYR 172 172 ? A -9.864 -8.199 -17.966 1.000 1 A TYR 94.004 1 +ATOM 1399 C C . TYR 172 172 ? A -11.153 -6.073 -14.805 1.000 1 A TYR 93.361 1 +ATOM 1400 O O . TYR 172 172 ? A -10.360 -5.723 -15.070 1.000 1 A TYR 93.650 1 +ATOM 1401 C CB . TYR 172 172 ? A -11.916 -7.059 -12.714 1.000 1 A TYR 94.712 1 +ATOM 1402 C CG . TYR 172 172 ? A -10.167 -8.633 -12.599 1.000 1 A TYR 95.754 1 +ATOM 1403 C CD1 . TYR 172 172 ? A -9.909 -9.993 -12.807 1.000 1 A TYR 95.091 1 +ATOM 1404 C CD2 . TYR 172 172 ? A -8.238 -8.296 -12.217 1.000 1 A TYR 94.598 1 +ATOM 1405 C CE1 . TYR 172 172 ? A -9.653 -10.478 -11.230 1.000 1 A TYR 94.354 1 +ATOM 1406 C CE2 . TYR 172 172 ? A -7.892 -8.870 -11.094 1.000 1 A TYR 93.730 1 +ATOM 1407 C CZ . TYR 172 172 ? A -9.138 -8.053 -8.081 1.000 1 A TYR 94.173 1 +ATOM 1408 O OH . TYR 172 172 ? A -9.091 -11.514 -11.161 1.000 1 A TYR 92.014 1 +ATOM 1409 N N . LEU 173 173 ? A -11.627 -4.835 -14.001 1.000 1 A LEU 94.936 1 +ATOM 1410 C CA . LEU 173 173 ? A -8.236 -3.294 -18.328 1.000 1 A LEU 93.967 1 +ATOM 1411 C C . LEU 173 173 ? A -11.918 -3.330 -13.779 1.000 1 A LEU 93.688 1 +ATOM 1412 O O . LEU 173 173 ? A -12.664 -4.123 -10.810 1.000 1 A LEU 92.982 1 +ATOM 1413 C CB . LEU 173 173 ? A -6.408 -2.860 -18.664 1.000 1 A LEU 93.217 1 +ATOM 1414 C CG . LEU 173 173 ? A -5.024 -2.579 -19.444 1.000 1 A LEU 92.507 1 +ATOM 1415 C CD1 . LEU 173 173 ? A -5.514 -3.162 -9.234 1.000 1 A LEU 91.200 1 +ATOM 1416 C CD2 . LEU 173 173 ? A -3.965 -3.284 -21.592 1.000 1 A LEU 90.817 1 +ATOM 1417 N N . GLU 174 174 ? A -1.480 -1.983 -20.757 1.000 1 A GLU 94.066 1 +ATOM 1418 C CA . GLU 174 174 ? A -7.749 -1.030 -19.265 1.000 1 A GLU 93.764 1 +ATOM 1419 C C . GLU 174 174 ? A -10.017 -2.039 -17.185 1.000 1 A GLU 93.763 1 +ATOM 1420 O O . GLU 174 174 ? A -10.252 -0.993 -17.765 1.000 1 A GLU 93.003 1 +ATOM 1421 C CB . GLU 174 174 ? A -16.439 5.107 -22.500 1.000 1 A GLU 93.444 1 +ATOM 1422 C CG . GLU 174 174 ? A -5.769 -0.169 -23.697 1.000 1 A GLU 86.705 1 +ATOM 1423 C CD . GLU 174 174 ? A -6.354 -1.371 -24.186 1.000 1 A GLU 85.198 1 +ATOM 1424 O OE1 . GLU 174 174 ? A -11.702 -3.719 -20.333 1.000 1 A GLU 80.415 1 +ATOM 1425 O OE2 . GLU 174 174 ? A -8.526 -2.002 -23.824 1.000 1 A GLU 77.277 1 +ATOM 1426 N N . ASN 175 175 ? A -11.064 -2.228 -17.675 1.000 1 A ASN 90.597 1 +ATOM 1427 C CA . ASN 175 175 ? A -13.321 -2.331 -16.581 1.000 1 A ASN 89.561 1 +ATOM 1428 C C . ASN 175 175 ? A -10.580 -1.145 -15.237 1.000 1 A ASN 89.936 1 +ATOM 1429 O O . ASN 175 175 ? A -10.731 -1.397 -14.464 1.000 1 A ASN 88.080 1 +ATOM 1430 C CB . ASN 175 175 ? A -15.982 -4.087 -16.072 1.000 1 A ASN 88.560 1 +ATOM 1431 C CG . ASN 175 175 ? A -22.450 -6.895 -14.891 1.000 1 A ASN 89.332 1 +ATOM 1432 O OD1 . ASN 175 175 ? A -14.000 -4.929 -17.642 1.000 1 A ASN 81.771 1 +ATOM 1433 N ND2 . ASN 175 175 ? A -14.511 -5.402 -17.185 1.000 1 A ASN 81.261 1 +ATOM 1434 N N . GLY 176 176 ? A -11.740 -1.031 -13.014 1.000 1 A GLY 88.335 1 +ATOM 1435 C CA . GLY 176 176 ? A -9.187 1.545 -14.797 1.000 1 A GLY 88.089 1 +ATOM 1436 C C . GLY 176 176 ? A -10.802 0.637 -14.070 1.000 1 A GLY 89.105 1 +ATOM 1437 O O . GLY 176 176 ? A -10.834 -0.507 -14.370 1.000 1 A GLY 87.204 1 +ATOM 1438 N N . LYS 177 177 ? A -8.435 1.465 -14.963 1.000 1 A LYS 85.073 1 +ATOM 1439 C CA . LYS 177 177 ? A -8.914 3.791 -15.319 1.000 1 A LYS 84.740 1 +ATOM 1440 C C . LYS 177 177 ? A -9.972 3.733 -15.647 1.000 1 A LYS 84.609 1 +ATOM 1441 O O . LYS 177 177 ? A -11.046 4.629 -13.805 1.000 1 A LYS 83.075 1 +ATOM 1442 C CB . LYS 177 177 ? A -9.352 3.204 -16.371 1.000 1 A LYS 81.098 1 +ATOM 1443 C CG . LYS 177 177 ? A -8.038 2.839 -16.606 1.000 1 A LYS 77.344 1 +ATOM 1444 C CD . LYS 177 177 ? A -7.704 2.760 -18.170 1.000 1 A LYS 74.978 1 +ATOM 1445 C CE . LYS 177 177 ? A -10.933 3.976 -16.394 1.000 1 A LYS 68.881 1 +ATOM 1446 N NZ . LYS 177 177 ? A -10.656 2.243 -23.705 1.000 1 A LYS 62.140 1 +ATOM 1447 N N . GLU 178 178 ? A -9.593 2.203 -20.402 1.000 1 A GLU 88.627 1 +ATOM 1448 C CA . GLU 178 178 ? A -10.606 2.925 -19.845 1.000 1 A GLU 86.905 1 +ATOM 1449 C C . GLU 178 178 ? A -13.901 6.340 -14.031 1.000 1 A GLU 85.419 1 +ATOM 1450 O O . GLU 178 178 ? A -10.184 6.096 -12.405 1.000 1 A GLU 82.351 1 +ATOM 1451 C CB . GLU 178 178 ? A -12.456 5.150 -15.533 1.000 1 A GLU 85.685 1 +ATOM 1452 C CG . GLU 178 178 ? A -21.861 11.909 -13.014 1.000 1 A GLU 77.446 1 +ATOM 1453 C CD . GLU 178 178 ? A -22.305 11.866 -12.376 1.000 1 A GLU 68.921 1 +ATOM 1454 O OE1 . GLU 178 178 ? A -7.313 5.508 -13.141 1.000 1 A GLU 61.861 1 +ATOM 1455 O OE2 . GLU 178 178 ? A -8.565 6.039 -13.993 1.000 1 A GLU 60.977 1 +ATOM 1456 N N . THR 179 179 ? A -11.912 4.934 -12.585 1.000 1 A THR 82.540 1 +ATOM 1457 C CA . THR 179 179 ? A -11.408 5.073 -13.067 1.000 1 A THR 81.157 1 +ATOM 1458 C C . THR 179 179 ? A -10.299 5.847 -12.339 1.000 1 A THR 81.924 1 +ATOM 1459 O O . THR 179 179 ? A -10.266 6.165 -9.827 1.000 1 A THR 78.261 1 +ATOM 1460 C CB . THR 179 179 ? A -10.435 1.621 -15.405 1.000 1 A THR 77.155 1 +ATOM 1461 O OG1 . THR 179 179 ? A -12.249 7.001 -9.913 1.000 1 A THR 76.973 1 +ATOM 1462 C CG2 . THR 179 179 ? A -11.200 1.058 -13.523 1.000 1 A THR 71.809 1 +ATOM 1463 N N . LEU 180 180 ? A -6.385 0.741 -7.256 1.000 1 A LEU 81.187 1 +ATOM 1464 C CA . LEU 180 180 ? A -13.041 3.797 -12.824 1.000 1 A LEU 81.991 1 +ATOM 1465 C C . LEU 180 180 ? A -14.192 4.742 -14.162 1.000 1 A LEU 82.500 1 +ATOM 1466 O O . LEU 180 180 ? A -8.430 9.652 -18.226 1.000 1 A LEU 80.203 1 +ATOM 1467 C CB . LEU 180 180 ? A -7.611 1.451 -10.520 1.000 1 A LEU 81.710 1 +ATOM 1468 C CG . LEU 180 180 ? A -3.871 0.564 -8.282 1.000 1 A LEU 83.761 1 +ATOM 1469 C CD1 . LEU 180 180 ? A -2.667 0.253 -6.642 1.000 1 A LEU 81.748 1 +ATOM 1470 C CD2 . LEU 180 180 ? A -2.814 2.099 -9.787 1.000 1 A LEU 82.295 1 +ATOM 1471 N N . GLN 181 181 ? A -6.052 5.188 -8.352 1.000 1 A GLN 85.173 1 +ATOM 1472 C CA . GLN 181 181 ? A -3.960 3.905 -8.796 1.000 1 A GLN 84.861 1 +ATOM 1473 C C . GLN 181 181 ? A -13.153 10.419 -19.649 1.000 1 A GLN 83.226 1 +ATOM 1474 O O . GLN 181 181 ? A -2.581 3.043 -6.858 1.000 1 A GLN 79.461 1 +ATOM 1475 C CB . GLN 181 181 ? A -3.197 4.488 -9.327 1.000 1 A GLN 82.627 1 +ATOM 1476 C CG . GLN 181 181 ? A -14.017 7.524 -24.653 1.000 1 A GLN 80.962 1 +ATOM 1477 C CD . GLN 181 181 ? A 5.014 -2.724 -13.826 1.000 1 A GLN 78.529 1 +ATOM 1478 O OE1 . GLN 181 181 ? A -3.137 5.648 -14.313 1.000 1 A GLN 73.385 1 +ATOM 1479 N NE2 . GLN 181 181 ? A -2.172 4.158 -14.574 1.000 1 A GLN 70.607 1 +ATOM 1480 N N . ARG 182 182 ? A -4.040 9.261 -6.442 1.000 1 A ARG 81.669 1 +ATOM 1481 C CA . ARG 182 182 ? A -3.095 11.781 -8.541 1.000 1 A ARG 80.271 1 +ATOM 1482 C C . ARG 182 182 ? A -3.864 10.082 -9.889 1.000 1 A ARG 81.293 1 +ATOM 1483 O O . ARG 182 182 ? A -3.890 4.975 -21.893 1.000 1 A ARG 77.700 1 +ATOM 1484 C CB . ARG 182 182 ? A -2.290 12.787 -8.555 1.000 1 A ARG 76.171 1 +ATOM 1485 C CG . ARG 182 182 ? A -3.984 8.997 -20.237 1.000 1 A ARG 66.405 1 +ATOM 1486 C CD . ARG 182 182 ? A -5.858 8.161 -22.511 1.000 1 A ARG 60.745 1 +ATOM 1487 N NE . ARG 182 182 ? A -6.767 1.216 -3.741 1.000 1 A ARG 53.816 1 +ATOM 1488 C CZ . ARG 182 182 ? A -9.851 21.267 -28.124 1.000 1 A ARG 51.076 1 +ATOM 1489 N NH1 . ARG 182 182 ? A -9.428 7.772 -8.781 1.000 1 A ARG 47.332 1 +ATOM 1490 N NH2 . ARG 182 182 ? A -9.163 6.959 -13.493 1.000 1 A ARG 46.045 1 +ATOM 1491 N N . ALA 183 183 ? A -8.253 12.583 -11.551 1.000 1 A ALA 84.669 1 +ATOM 1492 C CA . ALA 183 183 ? A -0.072 -0.200 -10.676 1.000 1 A ALA 86.738 1 +ATOM 1493 C C . ALA 183 183 ? A -11.124 13.937 -13.373 1.000 1 A ALA 89.251 1 +ATOM 1494 O O . ALA 183 183 ? A -11.696 14.341 -13.021 1.000 1 A ALA 86.275 1 +ATOM 1495 C CB . ALA 183 183 ? A -9.451 13.247 -13.297 1.000 1 A ALA 83.500 1 +ATOM 1496 N N . GLU 184 184 ? A -3.228 13.405 -11.383 1.000 1 A GLU 87.232 1 +ATOM 1497 C CA . GLU 184 184 ? A -4.928 12.198 -10.455 1.000 1 A GLU 90.474 1 +ATOM 1498 C C . GLU 184 184 ? A -4.546 9.790 -8.926 1.000 1 A GLU 92.278 1 +ATOM 1499 O O . GLU 184 184 ? A -3.347 13.589 -8.570 1.000 1 A GLU 93.807 1 +ATOM 1500 C CB . GLU 184 184 ? A -6.640 12.937 -11.246 1.000 1 A GLU 90.523 1 +ATOM 1501 C CG . GLU 184 184 ? A -5.967 14.243 -11.539 1.000 1 A GLU 83.378 1 +ATOM 1502 C CD . GLU 184 184 ? A -7.742 12.824 -9.917 1.000 1 A GLU 81.615 1 +ATOM 1503 O OE1 . GLU 184 184 ? A -5.299 14.908 -12.038 1.000 1 A GLU 76.221 1 +ATOM 1504 O OE2 . GLU 184 184 ? A -3.695 15.620 -12.349 1.000 1 A GLU 74.433 1 +ATOM 1505 N N . HIS 185 185 ? A -4.277 16.267 -8.989 1.000 1 A HIS 93.637 1 +ATOM 1506 C CA . HIS 185 185 ? A -4.138 14.669 -4.801 1.000 1 A HIS 94.323 1 +ATOM 1507 C C . HIS 185 185 ? A -3.883 14.399 -8.021 1.000 1 A HIS 95.402 1 +ATOM 1508 O O . HIS 185 185 ? A -2.367 14.641 -8.403 1.000 1 A HIS 95.256 1 +ATOM 1509 C CB . HIS 185 185 ? A -2.779 14.970 -12.747 1.000 1 A HIS 92.300 1 +ATOM 1510 C CG . HIS 185 185 ? A -6.035 16.124 -7.840 1.000 1 A HIS 93.701 1 +ATOM 1511 N ND1 . HIS 185 185 ? A -3.016 16.564 -10.175 1.000 1 A HIS 84.859 1 +ATOM 1512 C CD2 . HIS 185 185 ? A -3.193 19.045 -14.606 1.000 1 A HIS 82.968 1 +ATOM 1513 C CE1 . HIS 185 185 ? A -2.887 19.949 -12.201 1.000 1 A HIS 85.784 1 +ATOM 1514 N NE2 . HIS 185 185 ? A -2.946 15.507 -10.536 1.000 1 A HIS 87.696 1 +ATOM 1515 N N . PRO 186 186 ? A -3.549 16.210 -6.578 1.000 1 A PRO 92.318 1 +ATOM 1516 C CA . PRO 186 186 ? A 2.422 14.531 -9.511 1.000 1 A PRO 93.924 1 +ATOM 1517 C C . PRO 186 186 ? A -4.331 17.178 -6.037 1.000 1 A PRO 94.054 1 +ATOM 1518 O O . PRO 186 186 ? A -3.406 15.118 -4.569 1.000 1 A PRO 92.798 1 +ATOM 1519 C CB . PRO 186 186 ? A 3.381 13.754 -9.863 1.000 1 A PRO 93.434 1 +ATOM 1520 C CG . PRO 186 186 ? A -3.943 16.140 -5.187 1.000 1 A PRO 93.028 1 +ATOM 1521 C CD . PRO 186 186 ? A -2.878 14.718 -6.833 1.000 1 A PRO 94.949 1 +ATOM 1522 N N . LYS 187 187 ? A -2.837 16.426 -6.467 1.000 1 A LYS 95.930 1 +ATOM 1523 C CA . LYS 187 187 ? A -3.712 15.888 -3.876 1.000 1 A LYS 95.584 1 +ATOM 1524 C C . LYS 187 187 ? A -3.918 15.276 -3.383 1.000 1 A LYS 95.491 1 +ATOM 1525 O O . LYS 187 187 ? A -2.747 15.535 -2.994 1.000 1 A LYS 94.343 1 +ATOM 1526 C CB . LYS 187 187 ? A -3.967 14.406 -3.439 1.000 1 A LYS 94.251 1 +ATOM 1527 C CG . LYS 187 187 ? A -3.252 17.323 -6.011 1.000 1 A LYS 91.995 1 +ATOM 1528 C CD . LYS 187 187 ? A -5.207 16.004 -0.698 1.000 1 A LYS 85.616 1 +ATOM 1529 C CE . LYS 187 187 ? A -0.992 16.600 -4.905 1.000 1 A LYS 79.429 1 +ATOM 1530 N NZ . LYS 187 187 ? A -5.014 10.702 -3.730 1.000 1 A LYS 69.163 1 +ATOM 1531 N N . THR 188 188 ? A -1.727 16.655 -3.032 1.000 1 A THR 95.317 1 +ATOM 1532 C CA . THR 188 188 ? A -1.781 18.986 -1.000 1.000 1 A THR 95.378 1 +ATOM 1533 C C . THR 188 188 ? A -0.578 18.310 -1.830 1.000 1 A THR 94.798 1 +ATOM 1534 O O . THR 188 188 ? A -0.843 18.901 -2.420 1.000 1 A THR 92.837 1 +ATOM 1535 C CB . THR 188 188 ? A -0.705 18.565 -4.016 1.000 1 A THR 94.323 1 +ATOM 1536 O OG1 . THR 188 188 ? A -0.646 18.548 -4.997 1.000 1 A THR 89.413 1 +ATOM 1537 C CG2 . THR 188 188 ? A 0.923 17.972 -3.086 1.000 1 A THR 90.971 1 +ATOM 1538 N N . HIS 189 189 ? A -1.224 20.869 -1.748 1.000 1 A HIS 94.234 1 +ATOM 1539 C CA . HIS 189 189 ? A 1.699 16.232 -2.122 1.000 1 A HIS 93.711 1 +ATOM 1540 C C . HIS 189 189 ? A -1.098 19.812 2.794 1.000 1 A HIS 94.848 1 +ATOM 1541 O O . HIS 189 189 ? A 3.175 20.368 2.233 1.000 1 A HIS 94.579 1 +ATOM 1542 C CB . HIS 189 189 ? A 2.454 20.979 0.073 1.000 1 A HIS 91.334 1 +ATOM 1543 C CG . HIS 189 189 ? A -3.117 18.344 6.085 1.000 1 A HIS 91.953 1 +ATOM 1544 N ND1 . HIS 189 189 ? A -1.390 17.720 0.533 1.000 1 A HIS 83.044 1 +ATOM 1545 C CD2 . HIS 189 189 ? A -2.700 18.182 4.362 1.000 1 A HIS 81.794 1 +ATOM 1546 C CE1 . HIS 189 189 ? A -2.944 19.831 4.548 1.000 1 A HIS 83.702 1 +ATOM 1547 N NE2 . HIS 189 189 ? A -3.149 17.438 1.842 1.000 1 A HIS 86.529 1 +ATOM 1548 N N . VAL 190 190 ? A 0.303 20.864 1.589 1.000 1 A VAL 93.883 1 +ATOM 1549 C CA . VAL 190 190 ? A 0.759 22.041 2.430 1.000 1 A VAL 94.952 1 +ATOM 1550 C C . VAL 190 190 ? A 1.097 22.016 3.680 1.000 1 A VAL 94.420 1 +ATOM 1551 O O . VAL 190 190 ? A 1.107 21.391 3.754 1.000 1 A VAL 93.338 1 +ATOM 1552 C CB . VAL 190 190 ? A 2.283 21.806 2.561 1.000 1 A VAL 95.046 1 +ATOM 1553 C CG1 . VAL 190 190 ? A 3.243 20.783 2.924 1.000 1 A VAL 93.211 1 +ATOM 1554 C CG2 . VAL 190 190 ? A 4.054 22.608 1.877 1.000 1 A VAL 93.610 1 +ATOM 1555 N N . THR 191 191 ? A 1.955 21.918 5.588 1.000 1 A THR 95.033 1 +ATOM 1556 C CA . THR 191 191 ? A 1.568 21.732 6.383 1.000 1 A THR 94.468 1 +ATOM 1557 C C . THR 191 191 ? A 3.178 22.820 7.568 1.000 1 A THR 94.867 1 +ATOM 1558 O O . THR 191 191 ? A 3.598 21.992 7.558 1.000 1 A THR 93.959 1 +ATOM 1559 C CB . THR 191 191 ? A 1.143 21.530 7.163 1.000 1 A THR 93.481 1 +ATOM 1560 O OG1 . THR 191 191 ? A 1.786 20.265 7.384 1.000 1 A THR 91.658 1 +ATOM 1561 C CG2 . THR 191 191 ? A -0.505 21.033 7.113 1.000 1 A THR 91.388 1 +ATOM 1562 N N . HIS 192 192 ? A 1.336 22.334 7.124 1.000 1 A HIS 92.237 1 +ATOM 1563 C CA . HIS 192 192 ? A 4.979 25.649 9.609 1.000 1 A HIS 92.598 1 +ATOM 1564 C C . HIS 192 192 ? A 2.617 22.867 7.501 1.000 1 A HIS 92.226 1 +ATOM 1565 O O . HIS 192 192 ? A 4.559 24.910 12.197 1.000 1 A HIS 91.123 1 +ATOM 1566 C CB . HIS 192 192 ? A 2.551 21.722 9.240 1.000 1 A HIS 91.892 1 +ATOM 1567 C CG . HIS 192 192 ? A 7.147 28.011 10.193 1.000 1 A HIS 94.458 1 +ATOM 1568 N ND1 . HIS 192 192 ? A 4.112 27.197 7.524 1.000 1 A HIS 84.078 1 +ATOM 1569 C CD2 . HIS 192 192 ? A 5.744 29.970 9.282 1.000 1 A HIS 81.893 1 +ATOM 1570 C CE1 . HIS 192 192 ? A 4.244 30.862 7.371 1.000 1 A HIS 85.487 1 +ATOM 1571 N NE2 . HIS 192 192 ? A 3.503 26.196 10.033 1.000 1 A HIS 88.853 1 +ATOM 1572 N N . HIS 193 193 ? A 0.940 28.988 10.934 1.000 1 A HIS 94.147 1 +ATOM 1573 C CA . HIS 193 193 ? A 6.738 23.977 16.296 1.000 1 A HIS 93.508 1 +ATOM 1574 C C . HIS 193 193 ? A 2.358 29.193 9.801 1.000 1 A HIS 93.964 1 +ATOM 1575 O O . HIS 193 193 ? A 4.372 27.540 8.500 1.000 1 A HIS 93.498 1 +ATOM 1576 C CB . HIS 193 193 ? A 6.028 21.319 18.553 1.000 1 A HIS 91.602 1 +ATOM 1577 C CG . HIS 193 193 ? A 2.496 23.136 11.776 1.000 1 A HIS 89.021 1 +ATOM 1578 N ND1 . HIS 193 193 ? A 7.711 15.043 17.013 1.000 1 A HIS 86.445 1 +ATOM 1579 C CD2 . HIS 193 193 ? A -1.681 26.834 8.351 1.000 1 A HIS 83.805 1 +ATOM 1580 C CE1 . HIS 193 193 ? A -0.682 23.581 8.308 1.000 1 A HIS 84.029 1 +ATOM 1581 N NE2 . HIS 193 193 ? A 4.169 18.836 9.823 1.000 1 A HIS 87.243 1 +ATOM 1582 N N . PRO 194 194 ? A 1.867 25.669 14.521 1.000 1 A PRO 92.928 1 +ATOM 1583 C CA . PRO 194 194 ? A 5.052 27.406 13.825 1.000 1 A PRO 93.063 1 +ATOM 1584 C C . PRO 194 194 ? A 3.617 26.277 15.144 1.000 1 A PRO 92.817 1 +ATOM 1585 O O . PRO 194 194 ? A 3.956 26.085 14.522 1.000 1 A PRO 88.908 1 +ATOM 1586 C CB . PRO 194 194 ? A 4.277 27.155 13.301 1.000 1 A PRO 90.592 1 +ATOM 1587 C CG . PRO 194 194 ? A 3.157 26.464 14.842 1.000 1 A PRO 88.041 1 +ATOM 1588 C CD . PRO 194 194 ? A 3.870 25.745 15.754 1.000 1 A PRO 91.799 1 +ATOM 1589 N N . VAL 195 195 ? A 4.449 26.288 16.897 1.000 1 A VAL 89.589 1 +ATOM 1590 C CA . VAL 195 195 ? A 5.725 27.432 15.959 1.000 1 A VAL 88.784 1 +ATOM 1591 C C . VAL 195 195 ? A 4.271 28.784 15.852 1.000 1 A VAL 89.461 1 +ATOM 1592 O O . VAL 195 195 ? A 3.313 28.785 16.518 1.000 1 A VAL 84.595 1 +ATOM 1593 C CB . VAL 195 195 ? A 5.772 27.150 16.668 1.000 1 A VAL 85.412 1 +ATOM 1594 C CG1 . VAL 195 195 ? A 5.405 26.678 17.844 1.000 1 A VAL 78.739 1 +ATOM 1595 C CG2 . VAL 195 195 ? A 5.533 27.032 15.397 1.000 1 A VAL 76.639 1 +ATOM 1596 N N . SER 196 196 ? A 6.271 29.524 16.307 1.000 1 A SER 90.665 1 +ATOM 1597 C CA . SER 196 196 ? A 7.607 25.167 16.857 1.000 1 A SER 92.114 1 +ATOM 1598 C C . SER 196 196 ? A 8.863 25.957 21.296 1.000 1 A SER 92.955 1 +ATOM 1599 O O . SER 196 196 ? A 8.432 30.626 18.365 1.000 1 A SER 91.559 1 +ATOM 1600 C CB . SER 196 196 ? A 7.414 31.372 19.436 1.000 1 A SER 90.721 1 +ATOM 1601 O OG . SER 196 196 ? A 6.766 27.564 19.753 1.000 1 A SER 90.074 1 +ATOM 1602 N N . ASP 197 197 ? A 7.258 28.756 20.781 1.000 1 A ASP 93.085 1 +ATOM 1603 C CA . ASP 197 197 ? A 12.164 26.812 17.990 1.000 1 A ASP 92.599 1 +ATOM 1604 C C . ASP 197 197 ? A 13.575 26.667 17.655 1.000 1 A ASP 92.684 1 +ATOM 1605 O O . ASP 197 197 ? A 11.142 29.167 17.934 1.000 1 A ASP 89.493 1 +ATOM 1606 C CB . ASP 197 197 ? A 12.911 30.314 16.214 1.000 1 A ASP 89.910 1 +ATOM 1607 C CG . ASP 197 197 ? A 10.116 26.981 20.983 1.000 1 A ASP 84.906 1 +ATOM 1608 O OD1 . ASP 197 197 ? A 11.574 26.042 20.666 1.000 1 A ASP 72.992 1 +ATOM 1609 O OD2 . ASP 197 197 ? A 9.722 26.818 21.614 1.000 1 A ASP 73.726 1 +ATOM 1610 N N . HIS 198 198 ? A 5.994 30.343 9.971 1.000 1 A HIS 92.691 1 +ATOM 1611 C CA . HIS 198 198 ? A 1.982 35.977 11.108 1.000 1 A HIS 92.713 1 +ATOM 1612 C C . HIS 198 198 ? A 15.179 22.093 16.964 1.000 1 A HIS 93.582 1 +ATOM 1613 O O . HIS 198 198 ? A 17.864 20.366 19.287 1.000 1 A HIS 91.431 1 +ATOM 1614 C CB . HIS 198 198 ? A 13.131 26.112 16.699 1.000 1 A HIS 91.276 1 +ATOM 1615 C CG . HIS 198 198 ? A 8.908 28.147 8.735 1.000 1 A HIS 84.340 1 +ATOM 1616 N ND1 . HIS 198 198 ? A 18.528 23.387 19.029 1.000 1 A HIS 70.407 1 +ATOM 1617 C CD2 . HIS 198 198 ? A 16.597 28.715 23.953 1.000 1 A HIS 70.732 1 +ATOM 1618 C CE1 . HIS 198 198 ? A 10.542 26.510 8.519 1.000 1 A HIS 67.496 1 +ATOM 1619 N NE2 . HIS 198 198 ? A 18.517 27.691 22.500 1.000 1 A HIS 72.578 1 +ATOM 1620 N N . GLU 199 199 ? A 11.075 23.773 17.521 1.000 1 A GLU 90.459 1 +ATOM 1621 C CA . GLU 199 199 ? A 9.919 24.733 21.297 1.000 1 A GLU 92.929 1 +ATOM 1622 C C . GLU 199 199 ? A 11.763 21.885 14.324 1.000 1 A GLU 93.492 1 +ATOM 1623 O O . GLU 199 199 ? A 17.042 24.766 11.033 1.000 1 A GLU 92.405 1 +ATOM 1624 C CB . GLU 199 199 ? A 12.064 22.044 17.728 1.000 1 A GLU 91.206 1 +ATOM 1625 C CG . GLU 199 199 ? A 18.228 23.946 14.648 1.000 1 A GLU 88.842 1 +ATOM 1626 C CD . GLU 199 199 ? A 10.690 15.031 13.157 1.000 1 A GLU 87.246 1 +ATOM 1627 O OE1 . GLU 199 199 ? A 8.328 27.950 14.654 1.000 1 A GLU 78.837 1 +ATOM 1628 O OE2 . GLU 199 199 ? A 8.121 29.435 18.746 1.000 1 A GLU 78.670 1 +ATOM 1629 N N . ALA 200 200 ? A 9.287 21.529 14.324 1.000 1 A ALA 93.047 1 +ATOM 1630 C CA . ALA 200 200 ? A 11.168 20.895 16.899 1.000 1 A ALA 93.370 1 +ATOM 1631 C C . ALA 200 200 ? A 9.264 23.538 13.683 1.000 1 A ALA 93.911 1 +ATOM 1632 O O . ALA 200 200 ? A 9.091 22.555 14.379 1.000 1 A ALA 93.007 1 +ATOM 1633 C CB . ALA 200 200 ? A 7.782 22.286 14.135 1.000 1 A ALA 90.774 1 +ATOM 1634 N N . THR 201 201 ? A 7.954 23.697 12.338 1.000 1 A THR 93.136 1 +ATOM 1635 C CA . THR 201 201 ? A 8.452 22.961 11.288 1.000 1 A THR 94.172 1 +ATOM 1636 C C . THR 201 201 ? A 7.476 22.884 10.640 1.000 1 A THR 94.529 1 +ATOM 1637 O O . THR 201 201 ? A 6.590 23.291 10.875 1.000 1 A THR 93.526 1 +ATOM 1638 C CB . THR 201 201 ? A 8.515 21.328 12.026 1.000 1 A THR 92.920 1 +ATOM 1639 O OG1 . THR 201 201 ? A 8.962 21.210 13.060 1.000 1 A THR 90.539 1 +ATOM 1640 C CG2 . THR 201 201 ? A 8.873 20.116 11.198 1.000 1 A THR 91.391 1 +ATOM 1641 N N . LEU 202 202 ? A 7.592 20.990 9.804 1.000 1 A LEU 94.728 1 +ATOM 1642 C CA . LEU 202 202 ? A 7.154 21.184 8.645 1.000 1 A LEU 95.624 1 +ATOM 1643 C C . LEU 202 202 ? A 6.571 20.328 7.330 1.000 1 A LEU 95.938 1 +ATOM 1644 O O . LEU 202 202 ? A 6.923 20.922 6.516 1.000 1 A LEU 95.672 1 +ATOM 1645 C CB . LEU 202 202 ? A 7.709 21.601 7.309 1.000 1 A LEU 95.597 1 +ATOM 1646 C CG . LEU 202 202 ? A 7.269 22.721 6.814 1.000 1 A LEU 94.752 1 +ATOM 1647 C CD1 . LEU 202 202 ? A 6.262 22.718 5.404 1.000 1 A LEU 92.862 1 +ATOM 1648 C CD2 . LEU 202 202 ? A 6.705 23.501 7.972 1.000 1 A LEU 93.602 1 +ATOM 1649 N N . ARG 203 203 ? A 4.666 18.618 7.235 1.000 1 A ARG 96.122 1 +ATOM 1650 C CA . ARG 203 203 ? A 5.293 18.283 6.543 1.000 1 A ARG 96.676 1 +ATOM 1651 C C . ARG 203 203 ? A 5.041 18.273 5.580 1.000 1 A ARG 96.795 1 +ATOM 1652 O O . ARG 203 203 ? A 4.506 18.875 6.177 1.000 1 A ARG 96.298 1 +ATOM 1653 C CB . ARG 203 203 ? A 5.265 18.637 6.737 1.000 1 A ARG 96.178 1 +ATOM 1654 C CG . ARG 203 203 ? A 4.633 18.389 7.827 1.000 1 A ARG 94.231 1 +ATOM 1655 C CD . ARG 203 203 ? A 3.127 17.767 8.086 1.000 1 A ARG 92.851 1 +ATOM 1656 N NE . ARG 203 203 ? A 3.458 16.167 7.924 1.000 1 A ARG 91.139 1 +ATOM 1657 C CZ . ARG 203 203 ? A 3.404 15.090 8.348 1.000 1 A ARG 92.190 1 +ATOM 1658 N NH1 . ARG 203 203 ? A 3.067 14.882 8.029 1.000 1 A ARG 83.667 1 +ATOM 1659 N NH2 . ARG 203 203 ? A 3.427 13.954 8.553 1.000 1 A ARG 85.150 1 +ATOM 1660 N N . CYS 204 204 ? A 5.192 18.713 4.106 1.000 1 A CYS 96.558 1 +ATOM 1661 C CA . CYS 204 204 ? A 4.554 18.007 3.188 1.000 1 A CYS 96.654 1 +ATOM 1662 C C . CYS 204 204 ? A 3.559 16.996 3.257 1.000 1 A CYS 96.739 1 +ATOM 1663 O O . CYS 204 204 ? A 2.980 17.581 2.528 1.000 1 A CYS 96.656 1 +ATOM 1664 C CB . CYS 204 204 ? A 4.834 17.487 1.945 1.000 1 A CYS 96.435 1 +ATOM 1665 S SG . CYS 204 204 ? A 4.695 18.333 0.413 1.000 1 A CYS 95.979 1 +ATOM 1666 N N . TRP 205 205 ? A 3.330 15.919 3.395 1.000 1 A TRP 96.625 1 +ATOM 1667 C CA . TRP 205 205 ? A 0.117 16.514 3.329 1.000 1 A TRP 96.909 1 +ATOM 1668 C C . TRP 205 205 ? A 3.762 13.756 -3.438 1.000 1 A TRP 97.209 1 +ATOM 1669 O O . TRP 205 205 ? A 0.851 16.288 5.529 1.000 1 A TRP 96.857 1 +ATOM 1670 C CB . TRP 205 205 ? A 1.253 14.225 4.307 1.000 1 A TRP 96.594 1 +ATOM 1671 C CG . TRP 205 205 ? A -1.397 16.668 2.938 1.000 1 A TRP 96.238 1 +ATOM 1672 C CD1 . TRP 205 205 ? A 2.530 15.309 6.784 1.000 1 A TRP 95.139 1 +ATOM 1673 C CD2 . TRP 205 205 ? A -2.278 11.533 4.966 1.000 1 A TRP 96.002 1 +ATOM 1674 N NE1 . TRP 205 205 ? A -0.936 13.011 3.762 1.000 1 A TRP 94.884 1 +ATOM 1675 C CE2 . TRP 205 205 ? A 0.819 14.439 7.731 1.000 1 A TRP 95.107 1 +ATOM 1676 C CE3 . TRP 205 205 ? A -1.005 15.008 6.665 1.000 1 A TRP 95.468 1 +ATOM 1677 C CZ2 . TRP 205 205 ? A -2.895 13.359 3.420 1.000 1 A TRP 94.158 1 +ATOM 1678 C CZ3 . TRP 205 205 ? A -3.309 14.788 1.349 1.000 1 A TRP 94.952 1 +ATOM 1679 C CH2 . TRP 205 205 ? A -2.338 16.138 7.079 1.000 1 A TRP 94.083 1 +ATOM 1680 N N . ALA 206 206 ? A 1.185 14.121 0.411 1.000 1 A ALA 96.877 1 +ATOM 1681 C CA . ALA 206 206 ? A -0.626 15.348 -0.758 1.000 1 A ALA 97.208 1 +ATOM 1682 C C . ALA 206 206 ? A 0.730 12.066 0.537 1.000 1 A ALA 97.071 1 +ATOM 1683 O O . ALA 206 206 ? A -0.370 12.445 1.189 1.000 1 A ALA 97.210 1 +ATOM 1684 C CB . ALA 206 206 ? A 2.000 12.135 2.231 1.000 1 A ALA 97.377 1 +ATOM 1685 N N . LEU 207 207 ? A -1.148 11.624 -1.463 1.000 1 A LEU 97.009 1 +ATOM 1686 C CA . LEU 207 207 ? A -3.209 11.071 0.140 1.000 1 A LEU 96.764 1 +ATOM 1687 C C . LEU 207 207 ? A -1.385 11.241 -1.010 1.000 1 A LEU 96.666 1 +ATOM 1688 O O . LEU 207 207 ? A -3.503 12.313 -0.752 1.000 1 A LEU 95.881 1 +ATOM 1689 C CB . LEU 207 207 ? A -4.223 11.716 1.503 1.000 1 A LEU 95.946 1 +ATOM 1690 C CG . LEU 207 207 ? A -3.562 11.695 1.311 1.000 1 A LEU 94.608 1 +ATOM 1691 C CD1 . LEU 207 207 ? A -3.019 12.754 0.966 1.000 1 A LEU 91.243 1 +ATOM 1692 C CD2 . LEU 207 207 ? A -5.115 11.568 1.903 1.000 1 A LEU 91.390 1 +ATOM 1693 N N . GLY 208 208 ? A -5.624 9.276 -0.082 1.000 1 A GLY 95.159 1 +ATOM 1694 C CA . GLY 208 208 ? A -0.153 9.761 -2.785 1.000 1 A GLY 94.248 1 +ATOM 1695 C C . GLY 208 208 ? A -1.582 10.341 -6.729 1.000 1 A GLY 94.943 1 +ATOM 1696 O O . GLY 208 208 ? A -3.089 7.816 -2.446 1.000 1 A GLY 91.834 1 +ATOM 1697 N N . PHE 209 209 ? A -11.853 10.326 3.882 1.000 1 A PHE 96.789 1 +ATOM 1698 C CA . PHE 209 209 ? A 6.776 10.331 -7.398 1.000 1 A PHE 96.662 1 +ATOM 1699 C C . PHE 209 209 ? A 6.668 9.564 -8.010 1.000 1 A PHE 96.155 1 +ATOM 1700 O O . PHE 209 209 ? A 5.664 8.726 -7.169 1.000 1 A PHE 96.098 1 +ATOM 1701 C CB . PHE 209 209 ? A -0.711 8.653 -2.262 1.000 1 A PHE 96.654 1 +ATOM 1702 C CG . PHE 209 209 ? A -7.005 3.685 3.534 1.000 1 A PHE 97.584 1 +ATOM 1703 C CD1 . PHE 209 209 ? A 7.398 11.387 -4.565 1.000 1 A PHE 97.388 1 +ATOM 1704 C CD2 . PHE 209 209 ? A 3.239 8.452 -2.689 1.000 1 A PHE 97.308 1 +ATOM 1705 C CE1 . PHE 209 209 ? A -2.667 8.135 1.911 1.000 1 A PHE 97.411 1 +ATOM 1706 C CE2 . PHE 209 209 ? A 8.475 11.639 -3.602 1.000 1 A PHE 97.366 1 +ATOM 1707 C CZ . PHE 209 209 ? A 3.310 14.298 -1.761 1.000 1 A PHE 97.457 1 +ATOM 1708 N N . TYR 210 210 ? A 1.143 4.830 -6.085 1.000 1 A TYR 95.035 1 +ATOM 1709 C CA . TYR 210 210 ? A -0.905 6.910 -4.255 1.000 1 A TYR 93.130 1 +ATOM 1710 C C . TYR 210 210 ? A 1.573 5.653 -4.833 1.000 1 A TYR 90.812 1 +ATOM 1711 O O . TYR 210 210 ? A 1.470 4.481 -5.604 1.000 1 A TYR 90.917 1 +ATOM 1712 C CB . TYR 210 210 ? A 0.880 5.783 -6.085 1.000 1 A TYR 91.866 1 +ATOM 1713 C CG . TYR 210 210 ? A 1.053 8.831 -6.036 1.000 1 A TYR 92.703 1 +ATOM 1714 C CD1 . TYR 210 210 ? A 0.585 8.376 -6.886 1.000 1 A TYR 92.376 1 +ATOM 1715 C CD2 . TYR 210 210 ? A 0.585 7.224 -9.653 1.000 1 A TYR 91.455 1 +ATOM 1716 C CE1 . TYR 210 210 ? A 0.270 9.285 -7.041 1.000 1 A TYR 89.608 1 +ATOM 1717 C CE2 . TYR 210 210 ? A 0.839 10.161 -7.720 1.000 1 A TYR 89.537 1 +ATOM 1718 C CZ . TYR 210 210 ? A -0.311 7.413 -10.696 1.000 1 A TYR 88.813 1 +ATOM 1719 O OH . TYR 210 210 ? A -0.692 10.802 -8.306 1.000 1 A TYR 86.206 1 +ATOM 1720 N N . PRO 211 211 ? A 3.563 5.999 -7.980 1.000 1 A PRO 86.184 1 +ATOM 1721 C CA . PRO 211 211 ? A 2.120 7.327 -7.522 1.000 1 A PRO 88.160 1 +ATOM 1722 C C . PRO 211 211 ? A 1.785 4.718 -4.928 1.000 1 A PRO 90.561 1 +ATOM 1723 O O . PRO 211 211 ? A 5.299 5.206 -7.443 1.000 1 A PRO 91.717 1 +ATOM 1724 C CB . PRO 211 211 ? A 3.722 5.334 -9.488 1.000 1 A PRO 84.446 1 +ATOM 1725 C CG . PRO 211 211 ? A 2.230 6.170 -8.889 1.000 1 A PRO 85.910 1 +ATOM 1726 C CD . PRO 211 211 ? A 1.652 6.229 -8.799 1.000 1 A PRO 89.455 1 +ATOM 1727 N N . ALA 212 212 ? A 3.787 6.000 -7.253 1.000 1 A ALA 89.308 1 +ATOM 1728 C CA . ALA 212 212 ? A 4.941 6.529 -7.413 1.000 1 A ALA 90.124 1 +ATOM 1729 C C . ALA 212 212 ? A 4.392 7.904 -5.495 1.000 1 A ALA 90.281 1 +ATOM 1730 O O . ALA 212 212 ? A 3.720 6.740 -4.712 1.000 1 A ALA 90.925 1 +ATOM 1731 C CB . ALA 212 212 ? A 5.926 5.509 -6.901 1.000 1 A ALA 90.179 1 +ATOM 1732 N N . GLU 213 213 ? A 3.192 7.791 -3.092 1.000 1 A GLU 87.181 1 +ATOM 1733 C CA . GLU 213 213 ? A 5.631 8.288 -6.154 1.000 1 A GLU 88.980 1 +ATOM 1734 C C . GLU 213 213 ? A 5.311 10.759 -0.733 1.000 1 A GLU 91.000 1 +ATOM 1735 O O . GLU 213 213 ? A 3.391 7.296 -4.015 1.000 1 A GLU 90.459 1 +ATOM 1736 C CB . GLU 213 213 ? A 5.075 6.726 -2.417 1.000 1 A GLU 86.246 1 +ATOM 1737 C CG . GLU 213 213 ? A 5.990 6.078 -1.565 1.000 1 A GLU 81.107 1 +ATOM 1738 C CD . GLU 213 213 ? A 7.076 7.446 0.226 1.000 1 A GLU 74.132 1 +ATOM 1739 O OE1 . GLU 213 213 ? A 5.554 7.393 -1.028 1.000 1 A GLU 68.515 1 +ATOM 1740 O OE2 . GLU 213 213 ? A 7.549 7.153 -1.364 1.000 1 A GLU 68.133 1 +ATOM 1741 N N . ILE 214 214 ? A 5.212 9.246 -4.500 1.000 1 A ILE 90.648 1 +ATOM 1742 C CA . ILE 214 214 ? A 6.654 9.445 -4.664 1.000 1 A ILE 93.733 1 +ATOM 1743 C C . ILE 214 214 ? A 6.093 12.027 -4.350 1.000 1 A ILE 93.948 1 +ATOM 1744 O O . ILE 214 214 ? A 5.683 11.168 -6.344 1.000 1 A ILE 91.837 1 +ATOM 1745 C CB . ILE 214 214 ? A 6.957 11.418 -5.455 1.000 1 A ILE 93.855 1 +ATOM 1746 C CG1 . ILE 214 214 ? A 7.350 9.125 -4.475 1.000 1 A ILE 93.546 1 +ATOM 1747 C CG2 . ILE 214 214 ? A 5.636 9.448 -4.144 1.000 1 A ILE 92.375 1 +ATOM 1748 C CD1 . ILE 214 214 ? A 6.544 7.672 -4.887 1.000 1 A ILE 92.969 1 +ATOM 1749 N N . THR 215 215 ? A 3.628 14.956 -4.287 1.000 1 A THR 92.917 1 +ATOM 1750 C CA . THR 215 215 ? A 6.949 12.421 -4.485 1.000 1 A THR 92.655 1 +ATOM 1751 C C . THR 215 215 ? A 7.520 11.431 -4.467 1.000 1 A THR 93.695 1 +ATOM 1752 O O . THR 215 215 ? A 8.630 11.286 -4.588 1.000 1 A THR 93.425 1 +ATOM 1753 C CB . THR 215 215 ? A 3.026 14.608 -3.297 1.000 1 A THR 89.162 1 +ATOM 1754 O OG1 . THR 215 215 ? A 7.170 11.202 -4.961 1.000 1 A THR 80.903 1 +ATOM 1755 C CG2 . THR 215 215 ? A 7.614 10.664 -5.188 1.000 1 A THR 80.443 1 +ATOM 1756 N N . LEU 216 216 ? A 6.519 14.883 -0.270 1.000 1 A LEU 91.316 1 +ATOM 1757 C CA . LEU 216 216 ? A 6.601 15.625 -1.529 1.000 1 A LEU 92.474 1 +ATOM 1758 C C . LEU 216 216 ? A 7.449 16.461 -1.111 1.000 1 A LEU 92.454 1 +ATOM 1759 O O . LEU 216 216 ? A 7.909 15.187 -1.812 1.000 1 A LEU 89.648 1 +ATOM 1760 C CB . LEU 216 216 ? A 7.294 14.489 -1.320 1.000 1 A LEU 90.277 1 +ATOM 1761 C CG . LEU 216 216 ? A 7.547 13.148 -0.436 1.000 1 A LEU 90.860 1 +ATOM 1762 C CD1 . LEU 216 216 ? A 7.696 12.050 -0.938 1.000 1 A LEU 84.863 1 +ATOM 1763 C CD2 . LEU 216 216 ? A 8.811 12.261 -0.299 1.000 1 A LEU 86.124 1 +ATOM 1764 N N . THR 217 217 ? A 8.746 24.052 -3.189 1.000 1 A THR 92.422 1 +ATOM 1765 C CA . THR 217 217 ? A 10.599 15.432 -2.291 1.000 1 A THR 91.341 1 +ATOM 1766 C C . THR 217 217 ? A 11.174 17.661 8.765 1.000 1 A THR 92.637 1 +ATOM 1767 O O . THR 217 217 ? A 12.350 8.326 -5.208 1.000 1 A THR 90.998 1 +ATOM 1768 C CB . THR 217 217 ? A 9.105 27.769 1.802 1.000 1 A THR 88.282 1 +ATOM 1769 O OG1 . THR 217 217 ? A 11.628 11.653 -9.333 1.000 1 A THR 81.741 1 +ATOM 1770 C CG2 . THR 217 217 ? A 11.382 12.785 -0.897 1.000 1 A THR 80.372 1 +ATOM 1771 N N . TRP 218 218 ? A 10.556 17.866 1.664 1.000 1 A TRP 90.032 1 +ATOM 1772 C CA . TRP 218 218 ? A 10.611 19.947 -0.307 1.000 1 A TRP 90.976 1 +ATOM 1773 C C . TRP 218 218 ? A 12.940 18.848 1.513 1.000 1 A TRP 90.137 1 +ATOM 1774 O O . TRP 218 218 ? A 14.333 17.697 1.826 1.000 1 A TRP 87.898 1 +ATOM 1775 C CB . TRP 218 218 ? A 12.191 19.068 1.629 1.000 1 A TRP 91.284 1 +ATOM 1776 C CG . TRP 218 218 ? A 11.972 19.533 2.723 1.000 1 A TRP 93.367 1 +ATOM 1777 C CD1 . TRP 218 218 ? A 11.588 20.679 3.520 1.000 1 A TRP 92.594 1 +ATOM 1778 C CD2 . TRP 218 218 ? A 9.657 18.628 2.470 1.000 1 A TRP 94.579 1 +ATOM 1779 N NE1 . TRP 218 218 ? A 10.271 20.686 4.225 1.000 1 A TRP 93.902 1 +ATOM 1780 C CE2 . TRP 218 218 ? A 9.430 20.061 3.651 1.000 1 A TRP 94.034 1 +ATOM 1781 C CE3 . TRP 218 218 ? A 8.920 18.424 2.424 1.000 1 A TRP 95.126 1 +ATOM 1782 C CZ2 . TRP 218 218 ? A 7.787 19.416 3.970 1.000 1 A TRP 94.700 1 +ATOM 1783 C CZ3 . TRP 218 218 ? A 6.916 18.991 2.842 1.000 1 A TRP 95.475 1 +ATOM 1784 C CH2 . TRP 218 218 ? A 6.928 19.047 3.524 1.000 1 A TRP 95.460 1 +ATOM 1785 N N . GLN 219 219 ? A 12.502 15.346 -4.362 1.000 1 A GLN 92.400 1 +ATOM 1786 C CA . GLN 219 219 ? A 13.352 20.782 0.095 1.000 1 A GLN 91.798 1 +ATOM 1787 C C . GLN 219 219 ? A 14.148 21.724 1.563 1.000 1 A GLN 91.488 1 +ATOM 1788 O O . GLN 219 219 ? A 14.269 22.896 1.561 1.000 1 A GLN 91.270 1 +ATOM 1789 C CB . GLN 219 219 ? A 14.474 21.629 -0.492 1.000 1 A GLN 90.358 1 +ATOM 1790 C CG . GLN 219 219 ? A 12.831 22.229 -0.932 1.000 1 A GLN 88.969 1 +ATOM 1791 C CD . GLN 219 219 ? A 14.709 19.729 0.569 1.000 1 A GLN 87.900 1 +ATOM 1792 O OE1 . GLN 219 219 ? A 14.062 20.527 -1.932 1.000 1 A GLN 81.298 1 +ATOM 1793 N NE2 . GLN 219 219 ? A 15.563 19.349 -0.965 1.000 1 A GLN 77.199 1 +ATOM 1794 N N . TRP 220 220 ? A 15.445 24.010 1.385 1.000 1 A TRP 83.574 1 +ATOM 1795 C CA . TRP 220 220 ? A 15.905 23.119 1.980 1.000 1 A TRP 84.704 1 +ATOM 1796 C C . TRP 220 220 ? A 14.884 23.106 2.362 1.000 1 A TRP 83.102 1 +ATOM 1797 O O . TRP 220 220 ? A 16.811 23.445 1.152 1.000 1 A TRP 83.122 1 +ATOM 1798 C CB . TRP 220 220 ? A 15.812 23.350 4.362 1.000 1 A TRP 83.089 1 +ATOM 1799 C CG . TRP 220 220 ? A 17.382 23.008 1.622 1.000 1 A TRP 86.147 1 +ATOM 1800 C CD1 . TRP 220 220 ? A 17.656 25.068 6.051 1.000 1 A TRP 79.660 1 +ATOM 1801 C CD2 . TRP 220 220 ? A 18.591 23.037 4.547 1.000 1 A TRP 82.316 1 +ATOM 1802 N NE1 . TRP 220 220 ? A 17.804 25.655 3.900 1.000 1 A TRP 81.612 1 +ATOM 1803 C CE2 . TRP 220 220 ? A 18.792 25.149 3.285 1.000 1 A TRP 80.094 1 +ATOM 1804 C CE3 . TRP 220 220 ? A 19.435 22.534 4.926 1.000 1 A TRP 74.041 1 +ATOM 1805 C CZ2 . TRP 220 220 ? A 19.448 25.135 3.161 1.000 1 A TRP 81.169 1 +ATOM 1806 C CZ3 . TRP 220 220 ? A 22.492 23.079 6.076 1.000 1 A TRP 77.153 1 +ATOM 1807 C CH2 . TRP 220 220 ? A 21.158 23.834 4.109 1.000 1 A TRP 77.816 1 +ATOM 1808 N N . ASP 221 221 ? A 19.015 26.491 1.523 1.000 1 A ASP 83.361 1 +ATOM 1809 C CA . ASP 221 221 ? A 19.909 21.809 0.617 1.000 1 A ASP 80.618 1 +ATOM 1810 C C . ASP 221 221 ? A 18.374 27.688 -0.065 1.000 1 A ASP 79.988 1 +ATOM 1811 O O . ASP 221 221 ? A 18.387 24.607 1.735 1.000 1 A ASP 75.187 1 +ATOM 1812 C CB . ASP 221 221 ? A 16.165 28.001 0.304 1.000 1 A ASP 77.560 1 +ATOM 1813 C CG . ASP 221 221 ? A 18.075 23.878 1.344 1.000 1 A ASP 76.803 1 +ATOM 1814 O OD1 . ASP 221 221 ? A 19.238 28.199 -0.725 1.000 1 A ASP 74.072 1 +ATOM 1815 O OD2 . ASP 221 221 ? A 17.497 30.289 -0.866 1.000 1 A ASP 75.382 1 +ATOM 1816 N N . GLY 222 222 ? A 19.861 21.055 -2.090 1.000 1 A GLY 77.017 1 +ATOM 1817 C CA . GLY 222 222 ? A 19.383 22.514 2.499 1.000 1 A GLY 75.286 1 +ATOM 1818 C C . GLY 222 222 ? A 19.958 22.479 2.837 1.000 1 A GLY 77.629 1 +ATOM 1819 O O . GLY 222 222 ? A 19.213 24.089 2.602 1.000 1 A GLY 76.198 1 +ATOM 1820 N N . GLU 223 223 ? A 19.628 21.468 1.745 1.000 1 A GLU 79.841 1 +ATOM 1821 C CA . GLU 223 223 ? A 20.543 20.320 1.468 1.000 1 A GLU 81.471 1 +ATOM 1822 C C . GLU 223 223 ? A 19.741 17.308 2.061 1.000 1 A GLU 81.148 1 +ATOM 1823 O O . GLU 223 223 ? A 19.508 19.777 3.627 1.000 1 A GLU 79.939 1 +ATOM 1824 C CB . GLU 223 223 ? A 22.383 20.576 1.634 1.000 1 A GLU 78.555 1 +ATOM 1825 C CG . GLU 223 223 ? A 23.392 17.305 1.926 1.000 1 A GLU 68.922 1 +ATOM 1826 C CD . GLU 223 223 ? A 25.069 18.187 3.334 1.000 1 A GLU 64.392 1 +ATOM 1827 O OE1 . GLU 223 223 ? A 22.476 20.346 2.877 1.000 1 A GLU 62.404 1 +ATOM 1828 O OE2 . GLU 223 223 ? A 22.374 19.270 0.559 1.000 1 A GLU 58.362 1 +ATOM 1829 N N . ASP 224 224 ? A 19.697 17.379 1.329 1.000 1 A ASP 77.486 1 +ATOM 1830 C CA . ASP 224 224 ? A 19.123 17.684 3.090 1.000 1 A ASP 78.614 1 +ATOM 1831 C C . ASP 224 224 ? A 17.438 16.124 3.961 1.000 1 A ASP 78.341 1 +ATOM 1832 O O . ASP 224 224 ? A 17.034 17.428 3.073 1.000 1 A ASP 73.927 1 +ATOM 1833 C CB . ASP 224 224 ? A 19.217 16.772 2.884 1.000 1 A ASP 73.589 1 +ATOM 1834 C CG . ASP 224 224 ? A 19.723 17.488 4.099 1.000 1 A ASP 70.430 1 +ATOM 1835 O OD1 . ASP 224 224 ? A 20.970 19.346 2.172 1.000 1 A ASP 66.877 1 +ATOM 1836 O OD2 . ASP 224 224 ? A 19.348 17.266 6.188 1.000 1 A ASP 66.572 1 +ATOM 1837 N N . GLN 225 225 ? A 16.433 16.252 4.713 1.000 1 A GLN 70.824 1 +ATOM 1838 C CA . GLN 225 225 ? A 15.585 15.792 3.721 1.000 1 A GLN 72.855 1 +ATOM 1839 C C . GLN 225 225 ? A 15.861 14.322 4.797 1.000 1 A GLN 73.271 1 +ATOM 1840 O O . GLN 225 225 ? A 15.652 13.689 5.862 1.000 1 A GLN 70.743 1 +ATOM 1841 C CB . GLN 225 225 ? A 15.937 14.805 3.189 1.000 1 A GLN 68.125 1 +ATOM 1842 C CG . GLN 225 225 ? A 15.408 15.732 3.168 1.000 1 A GLN 63.937 1 +ATOM 1843 C CD . GLN 225 225 ? A 16.838 15.778 2.978 1.000 1 A GLN 64.685 1 +ATOM 1844 O OE1 . GLN 225 225 ? A 16.823 16.525 1.767 1.000 1 A GLN 66.272 1 +ATOM 1845 N NE2 . GLN 225 225 ? A 17.723 15.341 2.324 1.000 1 A GLN 61.174 1 +ATOM 1846 N N . THR 226 226 ? A 17.886 12.725 4.160 1.000 1 A THR 78.168 1 +ATOM 1847 C CA . THR 226 226 ? A 16.317 10.476 5.606 1.000 1 A THR 76.916 1 +ATOM 1848 C C . THR 226 226 ? A 17.276 11.310 6.063 1.000 1 A THR 78.243 1 +ATOM 1849 O O . THR 226 226 ? A 18.122 11.260 5.413 1.000 1 A THR 74.457 1 +ATOM 1850 C CB . THR 226 226 ? A 16.704 12.469 4.786 1.000 1 A THR 71.060 1 +ATOM 1851 O OG1 . THR 226 226 ? A 15.445 11.810 4.274 1.000 1 A THR 63.012 1 +ATOM 1852 C CG2 . THR 226 226 ? A 17.112 9.828 6.063 1.000 1 A THR 62.252 1 +ATOM 1853 N N . GLN 227 227 ? A 16.912 12.444 7.505 1.000 1 A GLN 75.273 1 +ATOM 1854 C CA . GLN 227 227 ? A 18.879 13.959 6.978 1.000 1 A GLN 76.050 1 +ATOM 1855 C C . GLN 227 227 ? A 18.349 10.028 9.468 1.000 1 A GLN 77.931 1 +ATOM 1856 O O . GLN 227 227 ? A 20.104 12.751 8.664 1.000 1 A GLN 74.163 1 +ATOM 1857 C CB . GLN 227 227 ? A 18.196 11.631 8.331 1.000 1 A GLN 70.568 1 +ATOM 1858 C CG . GLN 227 227 ? A 20.034 11.828 7.349 1.000 1 A GLN 64.327 1 +ATOM 1859 C CD . GLN 227 227 ? A 18.835 9.689 8.948 1.000 1 A GLN 57.724 1 +ATOM 1860 O OE1 . GLN 227 227 ? A 21.482 9.587 11.087 1.000 1 A GLN 54.958 1 +ATOM 1861 N NE2 . GLN 227 227 ? A 21.350 8.163 9.022 1.000 1 A GLN 56.797 1 +ATOM 1862 N N . ASP 228 228 ? A 17.301 15.564 6.367 1.000 1 A ASP 76.249 1 +ATOM 1863 C CA . ASP 228 228 ? A 16.439 14.281 8.994 1.000 1 A ASP 75.662 1 +ATOM 1864 C C . ASP 228 228 ? A 16.403 13.785 9.827 1.000 1 A ASP 77.495 1 +ATOM 1865 O O . ASP 228 228 ? A 16.318 13.050 8.751 1.000 1 A ASP 73.766 1 +ATOM 1866 C CB . ASP 228 228 ? A 16.116 14.036 7.860 1.000 1 A ASP 70.605 1 +ATOM 1867 C CG . ASP 228 228 ? A 17.015 17.263 8.258 1.000 1 A ASP 66.001 1 +ATOM 1868 O OD1 . ASP 228 228 ? A 16.918 18.138 8.132 1.000 1 A ASP 59.692 1 +ATOM 1869 O OD2 . ASP 228 228 ? A 16.012 15.591 8.507 1.000 1 A ASP 57.302 1 +ATOM 1870 N N . THR 229 229 ? A 14.023 13.331 9.143 1.000 1 A THR 77.948 1 +ATOM 1871 C CA . THR 229 229 ? A 17.130 17.597 8.945 1.000 1 A THR 79.439 1 +ATOM 1872 C C . THR 229 229 ? A 13.374 12.359 11.886 1.000 1 A THR 81.691 1 +ATOM 1873 O O . THR 229 229 ? A 13.128 12.084 12.289 1.000 1 A THR 79.138 1 +ATOM 1874 C CB . THR 229 229 ? A 13.786 11.734 9.687 1.000 1 A THR 74.705 1 +ATOM 1875 O OG1 . THR 229 229 ? A 11.174 9.696 8.892 1.000 1 A THR 69.286 1 +ATOM 1876 C CG2 . THR 229 229 ? A 15.006 13.034 9.997 1.000 1 A THR 70.788 1 +ATOM 1877 N N . GLU 230 230 ? A 14.626 13.591 11.108 1.000 1 A GLU 81.088 1 +ATOM 1878 C CA . GLU 230 230 ? A 12.310 14.757 12.150 1.000 1 A GLU 86.169 1 +ATOM 1879 C C . GLU 230 230 ? A 10.695 13.552 12.850 1.000 1 A GLU 86.800 1 +ATOM 1880 O O . GLU 230 230 ? A 11.583 13.594 12.485 1.000 1 A GLU 87.574 1 +ATOM 1881 C CB . GLU 230 230 ? A 11.733 14.514 14.275 1.000 1 A GLU 85.148 1 +ATOM 1882 C CG . GLU 230 230 ? A 11.565 15.739 14.476 1.000 1 A GLU 83.305 1 +ATOM 1883 C CD . GLU 230 230 ? A 13.086 16.164 14.514 1.000 1 A GLU 82.759 1 +ATOM 1884 O OE1 . GLU 230 230 ? A 13.069 15.003 14.840 1.000 1 A GLU 78.664 1 +ATOM 1885 O OE2 . GLU 230 230 ? A 13.466 16.577 15.002 1.000 1 A GLU 77.284 1 +ATOM 1886 N N . LEU 231 231 ? A 11.130 15.188 11.518 1.000 1 A LEU 80.268 1 +ATOM 1887 C CA . LEU 231 231 ? A 9.029 12.183 9.322 1.000 1 A LEU 82.274 1 +ATOM 1888 C C . LEU 231 231 ? A 9.322 12.064 10.202 1.000 1 A LEU 84.301 1 +ATOM 1889 O O . LEU 231 231 ? A 10.254 11.413 9.697 1.000 1 A LEU 79.919 1 +ATOM 1890 C CB . LEU 231 231 ? A 7.360 16.252 10.476 1.000 1 A LEU 76.900 1 +ATOM 1891 C CG . LEU 231 231 ? A 8.055 13.356 12.285 1.000 1 A LEU 76.542 1 +ATOM 1892 C CD1 . LEU 231 231 ? A 8.989 13.411 12.857 1.000 1 A LEU 74.940 1 +ATOM 1893 C CD2 . LEU 231 231 ? A 9.507 13.625 9.789 1.000 1 A LEU 72.523 1 +ATOM 1894 N N . VAL 232 232 ? A 8.164 9.926 8.777 1.000 1 A VAL 76.128 1 +ATOM 1895 C CA . VAL 232 232 ? A 5.899 10.205 12.339 1.000 1 A VAL 81.090 1 +ATOM 1896 C C . VAL 232 232 ? A 9.871 11.600 7.465 1.000 1 A VAL 82.572 1 +ATOM 1897 O O . VAL 232 232 ? A 5.216 8.632 8.565 1.000 1 A VAL 78.799 1 +ATOM 1898 C CB . VAL 232 232 ? A 11.580 12.704 9.436 1.000 1 A VAL 79.585 1 +ATOM 1899 C CG1 . VAL 232 232 ? A 8.745 7.482 8.017 1.000 1 A VAL 81.187 1 +ATOM 1900 C CG2 . VAL 232 232 ? A 7.857 7.898 10.314 1.000 1 A VAL 81.816 1 +ATOM 1901 N N . GLU 233 233 ? A 5.719 8.473 6.298 1.000 1 A GLU 88.755 1 +ATOM 1902 C CA . GLU 233 233 ? A 4.638 8.760 7.095 1.000 1 A GLU 88.614 1 +ATOM 1903 C C . GLU 233 233 ? A 7.089 8.460 6.892 1.000 1 A GLU 91.563 1 +ATOM 1904 O O . GLU 233 233 ? A 3.627 8.519 7.640 1.000 1 A GLU 91.053 1 +ATOM 1905 C CB . GLU 233 233 ? A 5.568 7.375 8.251 1.000 1 A GLU 86.511 1 +ATOM 1906 C CG . GLU 233 233 ? A 5.932 7.206 8.386 1.000 1 A GLU 71.200 1 +ATOM 1907 C CD . GLU 233 233 ? A 5.843 5.876 8.625 1.000 1 A GLU 65.107 1 +ATOM 1908 O OE1 . GLU 233 233 ? A 6.171 5.857 7.426 1.000 1 A GLU 62.098 1 +ATOM 1909 O OE2 . GLU 233 233 ? A 5.632 4.764 8.653 1.000 1 A GLU 59.443 1 +ATOM 1910 N N . THR 234 234 ? A 3.356 3.420 3.919 1.000 1 A THR 86.819 1 +ATOM 1911 C CA . THR 234 234 ? A 1.488 10.018 8.745 1.000 1 A THR 91.891 1 +ATOM 1912 C C . THR 234 234 ? A 2.486 8.362 8.326 1.000 1 A THR 92.855 1 +ATOM 1913 O O . THR 234 234 ? A 1.603 9.067 10.770 1.000 1 A THR 90.962 1 +ATOM 1914 C CB . THR 234 234 ? A 1.505 11.590 7.876 1.000 1 A THR 91.828 1 +ATOM 1915 O OG1 . THR 234 234 ? A 0.835 5.734 -2.135 1.000 1 A THR 84.845 1 +ATOM 1916 C CG2 . THR 234 234 ? A 0.826 13.766 8.986 1.000 1 A THR 89.501 1 +ATOM 1917 N N . ARG 235 235 ? A -1.831 7.756 8.077 1.000 1 A ARG 93.718 1 +ATOM 1918 C CA . ARG 235 235 ? A -2.377 7.819 7.224 1.000 1 A ARG 93.915 1 +ATOM 1919 C C . ARG 235 235 ? A -1.776 7.861 5.630 1.000 1 A ARG 94.821 1 +ATOM 1920 O O . ARG 235 235 ? A -0.440 8.208 4.448 1.000 1 A ARG 96.632 1 +ATOM 1921 C CB . ARG 235 235 ? A -3.132 8.989 7.951 1.000 1 A ARG 87.895 1 +ATOM 1922 C CG . ARG 235 235 ? A -4.688 13.680 8.620 1.000 1 A ARG 87.455 1 +ATOM 1923 C CD . ARG 235 235 ? A -1.786 10.965 7.930 1.000 1 A ARG 86.975 1 +ATOM 1924 N NE . ARG 235 235 ? A -1.997 13.298 8.994 1.000 1 A ARG 90.291 1 +ATOM 1925 C CZ . ARG 235 235 ? A -0.336 12.405 9.446 1.000 1 A ARG 83.665 1 +ATOM 1926 N NH1 . ARG 235 235 ? A 0.731 12.118 8.823 1.000 1 A ARG 87.426 1 +ATOM 1927 N NH2 . ARG 235 235 ? A -0.497 12.657 10.242 1.000 1 A ARG 86.887 1 +ATOM 1928 N N . PRO 236 236 ? A -3.950 3.222 3.562 1.000 1 A PRO 94.224 1 +ATOM 1929 C CA . PRO 236 236 ? A 1.255 0.681 0.628 1.000 1 A PRO 94.860 1 +ATOM 1930 C C . PRO 236 236 ? A -4.669 3.235 4.221 1.000 1 A PRO 94.656 1 +ATOM 1931 O O . PRO 236 236 ? A -9.055 8.422 9.215 1.000 1 A PRO 94.485 1 +ATOM 1932 C CB . PRO 236 236 ? A -3.041 7.600 2.336 1.000 1 A PRO 94.467 1 +ATOM 1933 C CG . PRO 236 236 ? A -3.560 -0.179 2.057 1.000 1 A PRO 94.079 1 +ATOM 1934 C CD . PRO 236 236 ? A -13.500 6.896 1.391 1.000 1 A PRO 95.159 1 +ATOM 1935 N N . ALA 237 237 ? A -7.237 3.035 3.933 1.000 1 A ALA 96.456 1 +ATOM 1936 C CA . ALA 237 237 ? A -7.747 4.385 4.109 1.000 1 A ALA 96.278 1 +ATOM 1937 C C . ALA 237 237 ? A -8.911 4.239 4.850 1.000 1 A ALA 95.533 1 +ATOM 1938 O O . ALA 237 237 ? A -8.842 4.544 5.766 1.000 1 A ALA 94.997 1 +ATOM 1939 C CB . ALA 237 237 ? A -6.455 7.110 0.588 1.000 1 A ALA 96.306 1 +ATOM 1940 N N . GLY 238 238 ? A -8.682 2.050 3.195 1.000 1 A GLY 90.807 1 +ATOM 1941 C CA . GLY 238 238 ? A -9.833 5.872 2.270 1.000 1 A GLY 88.560 1 +ATOM 1942 C C . GLY 238 238 ? A -10.244 0.385 1.909 1.000 1 A GLY 88.908 1 +ATOM 1943 O O . GLY 238 238 ? A -11.166 3.670 0.930 1.000 1 A GLY 87.713 1 +ATOM 1944 N N . ASP 239 239 ? A -9.657 3.439 0.653 1.000 1 A ASP 93.145 1 +ATOM 1945 C CA . ASP 239 239 ? A -11.084 3.112 0.699 1.000 1 A ASP 90.816 1 +ATOM 1946 C C . ASP 239 239 ? A -9.883 3.219 -1.698 1.000 1 A ASP 89.645 1 +ATOM 1947 O O . ASP 239 239 ? A -9.122 4.504 -1.905 1.000 1 A ASP 86.628 1 +ATOM 1948 C CB . ASP 239 239 ? A -11.902 4.250 0.204 1.000 1 A ASP 88.885 1 +ATOM 1949 C CG . ASP 239 239 ? A -11.716 4.782 -0.314 1.000 1 A ASP 93.022 1 +ATOM 1950 O OD1 . ASP 239 239 ? A -10.816 4.718 -0.375 1.000 1 A ASP 91.272 1 +ATOM 1951 O OD2 . ASP 239 239 ? A -12.150 5.619 -1.436 1.000 1 A ASP 89.820 1 +ATOM 1952 N N . GLY 240 240 ? A -8.552 4.871 -2.169 1.000 1 A GLY 89.221 1 +ATOM 1953 C CA . GLY 240 240 ? A -7.883 5.048 -3.084 1.000 1 A GLY 88.221 1 +ATOM 1954 C C . GLY 240 240 ? A -7.226 4.689 -2.134 1.000 1 A GLY 90.794 1 +ATOM 1955 O O . GLY 240 240 ? A -7.713 4.601 -0.776 1.000 1 A GLY 89.155 1 +ATOM 1956 N N . THR 241 241 ? A -12.677 9.065 -15.574 1.000 1 A THR 93.879 1 +ATOM 1957 C CA . THR 241 241 ? A -3.502 5.088 4.557 1.000 1 A THR 94.910 1 +ATOM 1958 C C . THR 241 241 ? A -1.705 3.534 5.225 1.000 1 A THR 96.035 1 +ATOM 1959 O O . THR 241 241 ? A -8.099 5.920 -11.316 1.000 1 A THR 95.412 1 +ATOM 1960 C CB . THR 241 241 ? A -5.550 5.772 -0.400 1.000 1 A THR 94.327 1 +ATOM 1961 O OG1 . THR 241 241 ? A -3.095 6.194 2.837 1.000 1 A THR 91.717 1 +ATOM 1962 C CG2 . THR 241 241 ? A -5.360 4.921 1.431 1.000 1 A THR 92.619 1 +ATOM 1963 N N . PHE 242 242 ? A 2.150 3.604 5.803 1.000 1 A PHE 96.789 1 +ATOM 1964 C CA . PHE 242 242 ? A 2.254 5.040 4.692 1.000 1 A PHE 97.247 1 +ATOM 1965 C C . PHE 242 242 ? A -3.141 6.072 -1.464 1.000 1 A PHE 97.340 1 +ATOM 1966 O O . PHE 242 242 ? A -3.558 6.471 -4.518 1.000 1 A PHE 97.040 1 +ATOM 1967 C CB . PHE 242 242 ? A -1.660 4.126 -2.384 1.000 1 A PHE 97.208 1 +ATOM 1968 C CG . PHE 242 242 ? A -1.445 0.380 -9.420 1.000 1 A PHE 97.171 1 +ATOM 1969 C CD1 . PHE 242 242 ? A 1.005 3.258 5.214 1.000 1 A PHE 96.822 1 +ATOM 1970 C CD2 . PHE 242 242 ? A -3.263 5.502 -0.963 1.000 1 A PHE 96.746 1 +ATOM 1971 C CE1 . PHE 242 242 ? A -1.904 3.103 -4.908 1.000 1 A PHE 95.981 1 +ATOM 1972 C CE2 . PHE 242 242 ? A -2.580 6.098 1.424 1.000 1 A PHE 96.026 1 +ATOM 1973 C CZ . PHE 242 242 ? A -2.705 5.866 1.459 1.000 1 A PHE 95.488 1 +ATOM 1974 N N . GLN 243 243 ? A 0.196 9.332 3.083 1.000 1 A GLN 97.210 1 +ATOM 1975 C CA . GLN 243 243 ? A 0.886 8.540 2.502 1.000 1 A GLN 97.513 1 +ATOM 1976 C C . GLN 243 243 ? A -0.165 5.805 0.481 1.000 1 A GLN 97.426 1 +ATOM 1977 O O . GLN 243 243 ? A 1.621 8.696 2.116 1.000 1 A GLN 97.420 1 +ATOM 1978 C CB . GLN 243 243 ? A 1.553 8.726 4.521 1.000 1 A GLN 97.297 1 +ATOM 1979 C CG . GLN 243 243 ? A 2.652 8.916 5.585 1.000 1 A GLN 97.060 1 +ATOM 1980 C CD . GLN 243 243 ? A 3.258 8.664 4.280 1.000 1 A GLN 97.359 1 +ATOM 1981 O OE1 . GLN 243 243 ? A -3.386 7.812 -1.328 1.000 1 A GLN 92.848 1 +ATOM 1982 N NE2 . GLN 243 243 ? A 4.852 8.665 5.048 1.000 1 A GLN 90.078 1 +ATOM 1983 N N . LYS 244 244 ? A -4.232 13.744 5.993 1.000 1 A LYS 96.224 1 +ATOM 1984 C CA . LYS 244 244 ? A 9.131 10.079 -1.508 1.000 1 A LYS 96.098 1 +ATOM 1985 C C . LYS 244 244 ? A 6.873 10.757 0.604 1.000 1 A LYS 95.905 1 +ATOM 1986 O O . LYS 244 244 ? A 6.222 10.647 1.325 1.000 1 A LYS 96.405 1 +ATOM 1987 C CB . LYS 244 244 ? A -1.560 12.218 5.621 1.000 1 A LYS 95.845 1 +ATOM 1988 C CG . LYS 244 244 ? A 5.423 12.355 3.156 1.000 1 A LYS 93.441 1 +ATOM 1989 C CD . LYS 244 244 ? A 6.342 13.800 4.397 1.000 1 A LYS 93.085 1 +ATOM 1990 C CE . LYS 244 244 ? A -0.136 17.232 -8.093 1.000 1 A LYS 89.236 1 +ATOM 1991 N NZ . LYS 244 244 ? A 0.464 12.123 8.862 1.000 1 A LYS 86.419 1 +ATOM 1992 N N . TRP 245 245 ? A 2.693 13.110 3.966 1.000 1 A TRP 95.616 1 +ATOM 1993 C CA . TRP 245 245 ? A 3.476 14.061 4.142 1.000 1 A TRP 96.034 1 +ATOM 1994 C C . TRP 245 245 ? A 4.806 13.805 4.974 1.000 1 A TRP 95.936 1 +ATOM 1995 O O . TRP 245 245 ? A 4.280 13.971 5.628 1.000 1 A TRP 95.796 1 +ATOM 1996 C CB . TRP 245 245 ? A 3.311 14.338 5.340 1.000 1 A TRP 95.255 1 +ATOM 1997 C CG . TRP 245 245 ? A 3.353 13.226 5.455 1.000 1 A TRP 95.967 1 +ATOM 1998 C CD1 . TRP 245 245 ? A 4.971 13.089 4.590 1.000 1 A TRP 95.631 1 +ATOM 1999 C CD2 . TRP 245 245 ? A 3.845 11.487 6.679 1.000 1 A TRP 96.445 1 +ATOM 2000 N NE1 . TRP 245 245 ? A 5.482 11.785 6.923 1.000 1 A TRP 94.512 1 +ATOM 2001 C CE2 . TRP 245 245 ? A 3.948 12.202 4.515 1.000 1 A TRP 95.938 1 +ATOM 2002 C CE3 . TRP 245 245 ? A 2.186 10.678 6.703 1.000 1 A TRP 96.546 1 +ATOM 2003 C CZ2 . TRP 245 245 ? A 4.461 9.996 8.945 1.000 1 A TRP 94.603 1 +ATOM 2004 C CZ3 . TRP 245 245 ? A 2.822 9.320 9.012 1.000 1 A TRP 95.772 1 +ATOM 2005 C CH2 . TRP 245 245 ? A 3.472 9.323 9.253 1.000 1 A TRP 95.078 1 +ATOM 2006 N N . ALA 246 246 ? A 6.591 13.109 4.540 1.000 1 A ALA 96.214 1 +ATOM 2007 C CA . ALA 246 246 ? A 7.418 16.195 4.719 1.000 1 A ALA 96.388 1 +ATOM 2008 C C . ALA 246 246 ? A 10.727 11.498 8.974 1.000 1 A ALA 96.327 1 +ATOM 2009 O O . ALA 246 246 ? A 8.294 17.031 4.562 1.000 1 A ALA 95.976 1 +ATOM 2010 C CB . ALA 246 246 ? A 5.851 14.697 5.732 1.000 1 A ALA 96.174 1 +ATOM 2011 N N . ALA 247 247 ? A 8.316 13.380 6.586 1.000 1 A ALA 94.421 1 +ATOM 2012 C CA . ALA 247 247 ? A 9.947 19.010 9.867 1.000 1 A ALA 94.968 1 +ATOM 2013 C C . ALA 247 247 ? A 11.589 16.230 8.536 1.000 1 A ALA 94.636 1 +ATOM 2014 O O . ALA 247 247 ? A 9.800 14.617 7.817 1.000 1 A ALA 93.167 1 +ATOM 2015 C CB . ALA 247 247 ? A 7.858 15.957 6.547 1.000 1 A ALA 94.154 1 +ATOM 2016 N N . VAL 248 248 ? A 10.263 16.601 8.626 1.000 1 A VAL 94.445 1 +ATOM 2017 C CA . VAL 248 248 ? A 13.868 17.219 7.559 1.000 1 A VAL 94.706 1 +ATOM 2018 C C . VAL 248 248 ? A 13.430 18.059 9.088 1.000 1 A VAL 94.831 1 +ATOM 2019 O O . VAL 248 248 ? A 13.301 17.508 10.248 1.000 1 A VAL 94.808 1 +ATOM 2020 C CB . VAL 248 248 ? A 10.382 18.788 8.142 1.000 1 A VAL 94.109 1 +ATOM 2021 C CG1 . VAL 248 248 ? A 8.091 26.132 7.518 1.000 1 A VAL 80.396 1 +ATOM 2022 C CG2 . VAL 248 248 ? A 9.545 19.288 9.529 1.000 1 A VAL 89.882 1 +ATOM 2023 N N . VAL 249 249 ? A 4.033 25.866 13.075 1.000 1 A VAL 94.210 1 +ATOM 2024 C CA . VAL 249 249 ? A 13.983 14.596 9.039 1.000 1 A VAL 94.639 1 +ATOM 2025 C C . VAL 249 249 ? A 10.918 23.062 12.832 1.000 1 A VAL 94.786 1 +ATOM 2026 O O . VAL 249 249 ? A 10.950 23.787 14.328 1.000 1 A VAL 93.967 1 +ATOM 2027 C CB . VAL 249 249 ? A 14.564 15.387 9.991 1.000 1 A VAL 94.104 1 +ATOM 2028 C CG1 . VAL 249 249 ? A 12.322 24.138 8.890 1.000 1 A VAL 92.858 1 +ATOM 2029 C CG2 . VAL 249 249 ? A 15.124 10.663 8.578 1.000 1 A VAL 93.135 1 +ATOM 2030 N N . VAL 250 250 ? A 13.803 24.817 10.349 1.000 1 A VAL 95.421 1 +ATOM 2031 C CA . VAL 250 250 ? A 14.794 24.260 11.082 1.000 1 A VAL 95.338 1 +ATOM 2032 C C . VAL 250 250 ? A 13.195 11.351 16.323 1.000 1 A VAL 95.306 1 +ATOM 2033 O O . VAL 250 250 ? A 16.231 24.402 8.052 1.000 1 A VAL 95.172 1 +ATOM 2034 C CB . VAL 250 250 ? A 14.115 25.241 10.247 1.000 1 A VAL 93.756 1 +ATOM 2035 C CG1 . VAL 250 250 ? A 14.631 25.636 11.167 1.000 1 A VAL 93.164 1 +ATOM 2036 C CG2 . VAL 250 250 ? A 14.408 27.349 9.014 1.000 1 A VAL 90.657 1 +ATOM 2037 N N . PRO 251 251 ? A 15.009 24.771 15.527 1.000 1 A PRO 94.421 1 +ATOM 2038 C CA . PRO 251 251 ? A 15.757 26.188 15.196 1.000 1 A PRO 94.257 1 +ATOM 2039 C C . PRO 251 251 ? A 14.965 26.948 14.499 1.000 1 A PRO 94.728 1 +ATOM 2040 O O . PRO 251 251 ? A 14.476 27.243 16.271 1.000 1 A PRO 94.110 1 +ATOM 2041 C CB . PRO 251 251 ? A 16.625 25.048 14.749 1.000 1 A PRO 92.605 1 +ATOM 2042 C CG . PRO 251 251 ? A 15.020 23.515 11.032 1.000 1 A PRO 91.384 1 +ATOM 2043 C CD . PRO 251 251 ? A 8.534 20.233 0.733 1.000 1 A PRO 93.463 1 +ATOM 2044 N N . SER 252 252 ? A 12.079 27.253 9.716 1.000 1 A SER 93.680 1 +ATOM 2045 C CA . SER 252 252 ? A 10.467 27.783 9.143 1.000 1 A SER 93.255 1 +ATOM 2046 C C . SER 252 252 ? A 7.419 29.068 5.967 1.000 1 A SER 93.563 1 +ATOM 2047 O O . SER 252 252 ? A 11.610 28.260 11.029 1.000 1 A SER 91.239 1 +ATOM 2048 C CB . SER 252 252 ? A 10.708 28.485 8.540 1.000 1 A SER 90.309 1 +ATOM 2049 O OG . SER 252 252 ? A 15.711 26.368 16.446 1.000 1 A SER 80.371 1 +ATOM 2050 N N . GLY 253 253 ? A 9.165 27.795 9.768 1.000 1 A GLY 92.083 1 +ATOM 2051 C CA . GLY 253 253 ? A 10.559 29.909 9.809 1.000 1 A GLY 90.231 1 +ATOM 2052 C C . GLY 253 253 ? A 9.489 31.187 9.417 1.000 1 A GLY 91.438 1 +ATOM 2053 O O . GLY 253 253 ? A 8.723 28.839 8.556 1.000 1 A GLY 87.428 1 +ATOM 2054 N N . GLU 254 254 ? A 9.589 31.190 9.630 1.000 1 A GLU 88.710 1 +ATOM 2055 C CA . GLU 254 254 ? A 10.342 32.046 9.064 1.000 1 A GLU 87.924 1 +ATOM 2056 C C . GLU 254 254 ? A 10.338 32.978 7.875 1.000 1 A GLU 89.806 1 +ATOM 2057 O O . GLU 254 254 ? A 10.617 31.989 7.308 1.000 1 A GLU 87.125 1 +ATOM 2058 C CB . GLU 254 254 ? A 11.717 31.184 8.761 1.000 1 A GLU 85.542 1 +ATOM 2059 C CG . GLU 254 254 ? A 10.603 32.314 7.924 1.000 1 A GLU 81.148 1 +ATOM 2060 C CD . GLU 254 254 ? A 9.410 32.625 8.322 1.000 1 A GLU 76.212 1 +ATOM 2061 O OE1 . GLU 254 254 ? A 9.921 33.402 8.011 1.000 1 A GLU 73.901 1 +ATOM 2062 O OE2 . GLU 254 254 ? A 10.288 32.601 8.599 1.000 1 A GLU 73.486 1 +ATOM 2063 N N . GLU 255 255 ? A 1.531 29.220 7.757 1.000 1 A GLU 90.657 1 +ATOM 2064 C CA . GLU 255 255 ? A 20.079 32.918 3.140 1.000 1 A GLU 92.786 1 +ATOM 2065 C C . GLU 255 255 ? A 21.336 32.374 3.550 1.000 1 A GLU 92.456 1 +ATOM 2066 O O . GLU 255 255 ? A 10.710 27.765 7.475 1.000 1 A GLU 91.794 1 +ATOM 2067 C CB . GLU 255 255 ? A 19.682 33.489 2.920 1.000 1 A GLU 91.758 1 +ATOM 2068 C CG . GLU 255 255 ? A 9.199 29.405 8.659 1.000 1 A GLU 88.690 1 +ATOM 2069 C CD . GLU 255 255 ? A 4.936 30.239 7.379 1.000 1 A GLU 92.926 1 +ATOM 2070 O OE1 . GLU 255 255 ? A 7.356 28.534 11.692 1.000 1 A GLU 84.322 1 +ATOM 2071 O OE2 . GLU 255 255 ? A 6.417 26.445 13.394 1.000 1 A GLU 83.114 1 +ATOM 2072 N N . GLN 256 256 ? A 9.668 29.059 3.300 1.000 1 A GLN 91.048 1 +ATOM 2073 C CA . GLN 256 256 ? A 6.582 27.863 12.145 1.000 1 A GLN 89.387 1 +ATOM 2074 C C . GLN 256 256 ? A 7.172 27.162 11.354 1.000 1 A GLN 89.155 1 +ATOM 2075 O O . GLN 256 256 ? A 19.382 28.351 -2.024 1.000 1 A GLN 86.678 1 +ATOM 2076 C CB . GLN 256 256 ? A 22.024 29.122 -1.618 1.000 1 A GLN 86.927 1 +ATOM 2077 C CG . GLN 256 256 ? A 2.514 32.685 7.344 1.000 1 A GLN 76.416 1 +ATOM 2078 C CD . GLN 256 256 ? A 16.211 32.749 -6.251 1.000 1 A GLN 67.560 1 +ATOM 2079 O OE1 . GLN 256 256 ? A 12.096 27.838 18.946 1.000 1 A GLN 61.255 1 +ATOM 2080 N NE2 . GLN 256 256 ? A 17.550 32.113 -0.466 1.000 1 A GLN 60.300 1 +ATOM 2081 N N . ARG 257 257 ? A 12.556 16.626 -5.858 1.000 1 A ARG 88.982 1 +ATOM 2082 C CA . ARG 257 257 ? A 14.111 30.905 5.827 1.000 1 A ARG 87.461 1 +ATOM 2083 C C . ARG 257 257 ? A 11.905 35.208 9.069 1.000 1 A ARG 87.497 1 +ATOM 2084 O O . ARG 257 257 ? A 12.123 35.812 9.703 1.000 1 A ARG 84.617 1 +ATOM 2085 C CB . ARG 257 257 ? A 12.916 17.158 -4.678 1.000 1 A ARG 86.601 1 +ATOM 2086 C CG . ARG 257 257 ? A 12.958 23.906 3.843 1.000 1 A ARG 83.204 1 +ATOM 2087 C CD . ARG 257 257 ? A 15.369 25.095 4.497 1.000 1 A ARG 77.811 1 +ATOM 2088 N NE . ARG 257 257 ? A 14.962 31.451 7.860 1.000 1 A ARG 70.705 1 +ATOM 2089 C CZ . ARG 257 257 ? A 18.894 27.674 7.700 1.000 1 A ARG 64.558 1 +ATOM 2090 N NH1 . ARG 257 257 ? A 21.030 24.875 6.161 1.000 1 A ARG 62.013 1 +ATOM 2091 N NH2 . ARG 257 257 ? A 6.747 30.205 8.969 1.000 1 A ARG 56.781 1 +ATOM 2092 N N . TYR 258 258 ? A 11.641 23.597 4.742 1.000 1 A TYR 92.061 1 +ATOM 2093 C CA . TYR 258 258 ? A 12.804 27.693 1.658 1.000 1 A TYR 93.383 1 +ATOM 2094 C C . TYR 258 258 ? A 10.000 26.413 0.361 1.000 1 A TYR 93.768 1 +ATOM 2095 O O . TYR 258 258 ? A 10.973 23.559 2.620 1.000 1 A TYR 92.707 1 +ATOM 2096 C CB . TYR 258 258 ? A 13.040 22.327 1.954 1.000 1 A TYR 93.342 1 +ATOM 2097 C CG . TYR 258 258 ? A 10.558 24.730 5.684 1.000 1 A TYR 93.761 1 +ATOM 2098 C CD1 . TYR 258 258 ? A 12.161 21.163 3.377 1.000 1 A TYR 92.658 1 +ATOM 2099 C CD2 . TYR 258 258 ? A 14.085 23.816 6.476 1.000 1 A TYR 92.413 1 +ATOM 2100 C CE1 . TYR 258 258 ? A 12.487 25.376 7.828 1.000 1 A TYR 91.205 1 +ATOM 2101 C CE2 . TYR 258 258 ? A 13.633 22.856 6.149 1.000 1 A TYR 91.050 1 +ATOM 2102 C CZ . TYR 258 258 ? A 18.511 22.400 4.841 1.000 1 A TYR 90.216 1 +ATOM 2103 O OH . TYR 258 258 ? A 11.781 21.702 4.119 1.000 1 A TYR 88.376 1 +ATOM 2104 N N . THR 259 259 ? A 10.621 23.657 0.575 1.000 1 A THR 93.851 1 +ATOM 2105 C CA . THR 259 259 ? A 9.874 23.206 0.077 1.000 1 A THR 94.301 1 +ATOM 2106 C C . THR 259 259 ? A 9.764 21.552 -0.225 1.000 1 A THR 94.832 1 +ATOM 2107 O O . THR 259 259 ? A 10.837 21.257 -0.665 1.000 1 A THR 93.949 1 +ATOM 2108 C CB . THR 259 259 ? A 9.777 23.830 -0.857 1.000 1 A THR 92.741 1 +ATOM 2109 O OG1 . THR 259 259 ? A 10.718 23.600 -2.066 1.000 1 A THR 87.330 1 +ATOM 2110 C CG2 . THR 259 259 ? A 9.161 25.090 -0.206 1.000 1 A THR 87.581 1 +ATOM 2111 N N . CYS 260 260 ? A 5.257 17.965 -0.898 1.000 1 A CYS 95.828 1 +ATOM 2112 C CA . CYS 260 260 ? A 7.335 20.610 -1.359 1.000 1 A CYS 96.385 1 +ATOM 2113 C C . CYS 260 260 ? A 7.954 19.884 -2.182 1.000 1 A CYS 96.198 1 +ATOM 2114 O O . CYS 260 260 ? A 8.309 20.437 -2.664 1.000 1 A CYS 95.912 1 +ATOM 2115 C CB . CYS 260 260 ? A 6.669 19.597 -1.239 1.000 1 A CYS 96.273 1 +ATOM 2116 S SG . CYS 260 260 ? A 10.066 19.468 -0.935 1.000 1 A CYS 95.606 1 +ATOM 2117 N N . HIS 261 261 ? A 9.051 19.971 -4.184 1.000 1 A HIS 94.570 1 +ATOM 2118 C CA . HIS 261 261 ? A 9.197 19.529 -5.718 1.000 1 A HIS 94.319 1 +ATOM 2119 C C . HIS 261 261 ? A 8.981 15.935 -1.091 1.000 1 A HIS 94.916 1 +ATOM 2120 O O . HIS 261 261 ? A 9.952 16.948 -5.006 1.000 1 A HIS 93.954 1 +ATOM 2121 C CB . HIS 261 261 ? A 9.739 19.881 -9.300 1.000 1 A HIS 92.946 1 +ATOM 2122 C CG . HIS 261 261 ? A 11.094 18.840 0.471 1.000 1 A HIS 85.030 1 +ATOM 2123 N ND1 . HIS 261 261 ? A 10.851 19.018 -2.547 1.000 1 A HIS 82.839 1 +ATOM 2124 C CD2 . HIS 261 261 ? A 9.431 20.395 -10.834 1.000 1 A HIS 77.456 1 +ATOM 2125 C CE1 . HIS 261 261 ? A 9.056 21.854 -10.394 1.000 1 A HIS 80.901 1 +ATOM 2126 N NE2 . HIS 261 261 ? A 11.341 19.584 5.560 1.000 1 A HIS 81.631 1 +ATOM 2127 N N . VAL 262 262 ? A 7.052 17.406 -3.796 1.000 1 A VAL 95.980 1 +ATOM 2128 C CA . VAL 262 262 ? A 7.612 16.131 -4.286 1.000 1 A VAL 96.660 1 +ATOM 2129 C C . VAL 262 262 ? A 7.178 15.787 -5.742 1.000 1 A VAL 96.324 1 +ATOM 2130 O O . VAL 262 262 ? A 8.184 15.171 -6.419 1.000 1 A VAL 95.728 1 +ATOM 2131 C CB . VAL 262 262 ? A 5.312 17.135 -4.451 1.000 1 A VAL 96.882 1 +ATOM 2132 C CG1 . VAL 262 262 ? A 4.723 18.948 -3.766 1.000 1 A VAL 96.397 1 +ATOM 2133 C CG2 . VAL 262 262 ? A 4.812 17.397 -5.851 1.000 1 A VAL 96.331 1 +ATOM 2134 N N . GLN 263 263 ? A 6.642 16.507 -6.438 1.000 1 A GLN 95.535 1 +ATOM 2135 C CA . GLN 263 263 ? A 7.519 14.283 -8.952 1.000 1 A GLN 94.536 1 +ATOM 2136 C C . GLN 263 263 ? A 6.679 14.356 -8.519 1.000 1 A GLN 94.043 1 +ATOM 2137 O O . GLN 263 263 ? A 7.144 13.588 -7.473 1.000 1 A GLN 94.455 1 +ATOM 2138 C CB . GLN 263 263 ? A 8.713 19.309 -8.006 1.000 1 A GLN 93.350 1 +ATOM 2139 C CG . GLN 263 263 ? A 9.143 15.988 -8.366 1.000 1 A GLN 78.951 1 +ATOM 2140 C CD . GLN 263 263 ? A 8.640 15.154 -9.056 1.000 1 A GLN 72.668 1 +ATOM 2141 O OE1 . GLN 263 263 ? A 7.497 14.232 -10.364 1.000 1 A GLN 66.337 1 +ATOM 2142 N NE2 . GLN 263 263 ? A 9.286 13.786 -9.362 1.000 1 A GLN 59.043 1 +ATOM 2143 N N . HIS 264 264 ? A 4.202 14.702 -9.139 1.000 1 A HIS 92.901 1 +ATOM 2144 C CA . HIS 264 264 ? A 7.336 13.802 -11.087 1.000 1 A HIS 92.675 1 +ATOM 2145 C C . HIS 264 264 ? A 3.685 12.907 -9.748 1.000 1 A HIS 89.626 1 +ATOM 2146 O O . HIS 264 264 ? A 3.068 12.934 -10.352 1.000 1 A HIS 89.446 1 +ATOM 2147 C CB . HIS 264 264 ? A 4.757 12.223 -8.485 1.000 1 A HIS 93.525 1 +ATOM 2148 C CG . HIS 264 264 ? A 4.518 11.028 -8.384 1.000 1 A HIS 95.950 1 +ATOM 2149 N ND1 . HIS 264 264 ? A 6.738 9.054 -6.509 1.000 1 A HIS 75.247 1 +ATOM 2150 C CD2 . HIS 264 264 ? A 4.815 10.391 -6.078 1.000 1 A HIS 72.624 1 +ATOM 2151 C CE1 . HIS 264 264 ? A 5.827 10.689 -7.658 1.000 1 A HIS 82.931 1 +ATOM 2152 N NE2 . HIS 264 264 ? A 4.629 11.016 -7.357 1.000 1 A HIS 87.032 1 +ATOM 2153 N N . GLU 265 265 ? A 0.712 12.389 -11.647 1.000 1 A GLU 91.409 1 +ATOM 2154 C CA . GLU 265 265 ? A 7.391 11.090 -9.639 1.000 1 A GLU 88.535 1 +ATOM 2155 C C . GLU 265 265 ? A 1.460 9.568 -10.678 1.000 1 A GLU 87.377 1 +ATOM 2156 O O . GLU 265 265 ? A 1.629 8.303 -10.090 1.000 1 A GLU 83.673 1 +ATOM 2157 C CB . GLU 265 265 ? A 0.685 11.259 -9.576 1.000 1 A GLU 85.315 1 +ATOM 2158 C CG . GLU 265 265 ? A -0.071 10.653 -10.820 1.000 1 A GLU 77.185 1 +ATOM 2159 C CD . GLU 265 265 ? A 0.890 10.060 -11.115 1.000 1 A GLU 73.382 1 +ATOM 2160 O OE1 . GLU 265 265 ? A 0.898 9.202 -10.364 1.000 1 A GLU 69.383 1 +ATOM 2161 O OE2 . GLU 265 265 ? A -0.231 10.657 -16.912 1.000 1 A GLU 65.720 1 +ATOM 2162 N N . GLY 266 266 ? A -4.902 13.927 -14.201 1.000 1 A GLY 83.588 1 +ATOM 2163 C CA . GLY 266 266 ? A 10.316 11.591 -13.291 1.000 1 A GLY 82.471 1 +ATOM 2164 C C . GLY 266 266 ? A -7.762 12.935 -6.318 1.000 1 A GLY 85.849 1 +ATOM 2165 O O . GLY 266 266 ? A 8.057 6.928 -16.741 1.000 1 A GLY 82.141 1 +ATOM 2166 N N . LEU 267 267 ? A 3.653 13.138 -13.445 1.000 1 A LEU 86.450 1 +ATOM 2167 C CA . LEU 267 267 ? A 5.218 12.399 -15.607 1.000 1 A LEU 87.915 1 +ATOM 2168 C C . LEU 267 267 ? A 0.424 14.582 -11.612 1.000 1 A LEU 87.990 1 +ATOM 2169 O O . LEU 267 267 ? A -0.612 14.583 -10.427 1.000 1 A LEU 86.824 1 +ATOM 2170 C CB . LEU 267 267 ? A 4.619 8.589 -16.168 1.000 1 A LEU 87.700 1 +ATOM 2171 C CG . LEU 267 267 ? A 7.263 11.957 -13.181 1.000 1 A LEU 88.730 1 +ATOM 2172 C CD1 . LEU 267 267 ? A 10.374 10.790 -17.785 1.000 1 A LEU 87.006 1 +ATOM 2173 C CD2 . LEU 267 267 ? A 4.661 17.144 -2.352 1.000 1 A LEU 87.969 1 +ATOM 2174 N N . PRO 268 268 ? A 5.803 6.913 -7.152 1.000 1 A PRO 87.732 1 +ATOM 2175 C CA . PRO 268 268 ? A -3.430 25.335 -17.331 1.000 1 A PRO 86.584 1 +ATOM 2176 C C . PRO 268 268 ? A 4.250 21.765 -14.581 1.000 1 A PRO 87.619 1 +ATOM 2177 O O . PRO 268 268 ? A 3.456 14.219 -23.588 1.000 1 A PRO 83.223 1 +ATOM 2178 C CB . PRO 268 268 ? A 6.738 4.085 -8.932 1.000 1 A PRO 83.145 1 +ATOM 2179 C CG . PRO 268 268 ? A 4.785 10.647 -20.769 1.000 1 A PRO 83.525 1 +ATOM 2180 C CD . PRO 268 268 ? A 7.881 14.132 -23.749 1.000 1 A PRO 89.348 1 +ATOM 2181 N N . GLU 269 269 ? A 13.565 12.984 -13.791 1.000 1 A GLU 88.286 1 +ATOM 2182 C CA . GLU 269 269 ? A -0.562 24.047 -8.463 1.000 1 A GLU 88.410 1 +ATOM 2183 C C . GLU 269 269 ? A 12.072 16.018 -11.784 1.000 1 A GLU 90.488 1 +ATOM 2184 O O . GLU 269 269 ? A 18.054 9.427 -12.392 1.000 1 A GLU 89.894 1 +ATOM 2185 C CB . GLU 269 269 ? A -6.502 25.347 -9.920 1.000 1 A GLU 85.121 1 +ATOM 2186 C CG . GLU 269 269 ? A 10.721 11.603 -15.505 1.000 1 A GLU 76.546 1 +ATOM 2187 C CD . GLU 269 269 ? A 1.410 24.619 -6.220 1.000 1 A GLU 69.766 1 +ATOM 2188 O OE1 . GLU 269 269 ? A 7.348 18.190 -10.179 1.000 1 A GLU 63.757 1 +ATOM 2189 O OE2 . GLU 269 269 ? A 13.758 16.484 -18.788 1.000 1 A GLU 62.505 1 +ATOM 2190 N N . PRO 270 270 ? A 8.303 19.394 -9.813 1.000 1 A PRO 87.427 1 +ATOM 2191 C CA . PRO 270 270 ? A 8.794 18.984 -0.862 1.000 1 A PRO 89.586 1 +ATOM 2192 C C . PRO 270 270 ? A 10.086 21.659 -14.631 1.000 1 A PRO 90.729 1 +ATOM 2193 O O . PRO 270 270 ? A 11.090 20.359 -16.846 1.000 1 A PRO 88.378 1 +ATOM 2194 C CB . PRO 270 270 ? A 8.792 19.375 -12.010 1.000 1 A PRO 87.053 1 +ATOM 2195 C CG . PRO 270 270 ? A 4.438 23.145 -15.220 1.000 1 A PRO 83.686 1 +ATOM 2196 C CD . PRO 270 270 ? A 6.786 19.720 -12.386 1.000 1 A PRO 88.301 1 +ATOM 2197 N N . LEU 271 271 ? A 6.270 21.181 -7.768 1.000 1 A LEU 84.709 1 +ATOM 2198 C CA . LEU 271 271 ? A 6.318 21.442 -7.942 1.000 1 A LEU 85.650 1 +ATOM 2199 C C . LEU 271 271 ? A 6.413 22.508 -9.364 1.000 1 A LEU 87.406 1 +ATOM 2200 O O . LEU 271 271 ? A 7.184 22.489 -7.692 1.000 1 A LEU 85.310 1 +ATOM 2201 C CB . LEU 271 271 ? A 6.028 20.480 -7.732 1.000 1 A LEU 81.777 1 +ATOM 2202 C CG . LEU 271 271 ? A 4.580 20.829 -8.583 1.000 1 A LEU 82.862 1 +ATOM 2203 C CD1 . LEU 271 271 ? A 4.260 22.342 -10.396 1.000 1 A LEU 78.210 1 +ATOM 2204 C CD2 . LEU 271 271 ? A 3.813 20.315 -7.552 1.000 1 A LEU 79.952 1 +ATOM 2205 N N . THR 272 272 ? A 6.274 25.137 -5.739 1.000 1 A THR 90.445 1 +ATOM 2206 C CA . THR 272 272 ? A 6.673 23.565 -5.633 1.000 1 A THR 91.619 1 +ATOM 2207 C C . THR 272 272 ? A 6.058 21.775 -6.090 1.000 1 A THR 92.333 1 +ATOM 2208 O O . THR 272 272 ? A 5.462 23.624 -5.526 1.000 1 A THR 88.834 1 +ATOM 2209 C CB . THR 272 272 ? A 7.595 22.640 -5.558 1.000 1 A THR 88.653 1 +ATOM 2210 O OG1 . THR 272 272 ? A 6.992 22.084 -5.966 1.000 1 A THR 77.218 1 +ATOM 2211 C CG2 . THR 272 272 ? A 9.054 22.241 -6.017 1.000 1 A THR 76.998 1 +ATOM 2212 N N . LEU 273 273 ? A 3.995 22.585 -3.167 1.000 1 A LEU 84.677 1 +ATOM 2213 C CA . LEU 273 273 ? A 2.408 22.867 -2.925 1.000 1 A LEU 87.487 1 +ATOM 2214 C C . LEU 273 273 ? A 5.440 22.694 -0.545 1.000 1 A LEU 88.618 1 +ATOM 2215 O O . LEU 273 273 ? A 6.792 21.987 0.282 1.000 1 A LEU 88.059 1 +ATOM 2216 C CB . LEU 273 273 ? A 1.991 22.481 -3.134 1.000 1 A LEU 85.702 1 +ATOM 2217 C CG . LEU 273 273 ? A 5.785 20.460 -1.793 1.000 1 A LEU 88.193 1 +ATOM 2218 C CD1 . LEU 273 273 ? A 1.477 21.201 -6.669 1.000 1 A LEU 73.747 1 +ATOM 2219 C CD2 . LEU 273 273 ? A 0.234 20.289 -5.485 1.000 1 A LEU 74.119 1 +ATOM 2220 N N . ARG 274 274 ? A 3.786 25.529 -0.634 1.000 1 A ARG 89.818 1 +ATOM 2221 C CA . ARG 274 274 ? A 5.403 27.529 -1.591 1.000 1 A ARG 89.596 1 +ATOM 2222 C C . ARG 274 274 ? A 5.024 26.304 0.426 1.000 1 A ARG 89.716 1 +ATOM 2223 O O . ARG 274 274 ? A 3.697 26.361 0.845 1.000 1 A ARG 85.306 1 +ATOM 2224 C CB . ARG 274 274 ? A 4.403 26.662 -2.068 1.000 1 A ARG 85.407 1 +ATOM 2225 C CG . ARG 274 274 ? A 3.744 28.094 -2.658 1.000 1 A ARG 74.453 1 +ATOM 2226 C CD . ARG 274 274 ? A 3.496 28.412 -3.764 1.000 1 A ARG 72.874 1 +ATOM 2227 N NE . ARG 274 274 ? A 8.235 19.473 -3.656 1.000 1 A ARG 69.422 1 +ATOM 2228 C CZ . ARG 274 274 ? A 9.230 20.772 -3.878 1.000 1 A ARG 65.299 1 +ATOM 2229 N NH1 . ARG 274 274 ? A 8.213 21.065 -2.972 1.000 1 A ARG 58.046 1 +ATOM 2230 N NH2 . ARG 274 274 ? A -0.902 27.806 -2.679 1.000 1 A ARG 58.071 1 +ATOM 2231 N N . TRP 275 275 ? A 5.504 26.431 3.579 1.000 1 A TRP 84.135 1 +ATOM 2232 C CA . TRP 275 275 ? A 5.203 27.207 2.886 1.000 1 A TRP 86.297 1 +ATOM 2233 C C . TRP 275 275 ? A 5.956 27.516 0.118 1.000 1 A TRP 86.208 1 +ATOM 2234 O O . TRP 275 275 ? A 4.109 26.419 2.987 1.000 1 A TRP 83.562 1 +ATOM 2235 C CB . TRP 275 275 ? A 5.736 26.327 2.028 1.000 1 A TRP 83.939 1 +ATOM 2236 C CG . TRP 275 275 ? A 4.428 26.741 4.874 1.000 1 A TRP 89.160 1 +ATOM 2237 C CD1 . TRP 275 275 ? A 3.826 28.416 7.821 1.000 1 A TRP 78.887 1 +ATOM 2238 C CD2 . TRP 275 275 ? A 4.348 27.970 4.477 1.000 1 A TRP 84.366 1 +ATOM 2239 N NE1 . TRP 275 275 ? A 6.208 28.260 4.835 1.000 1 A TRP 82.860 1 +ATOM 2240 C CE2 . TRP 275 275 ? A 4.468 28.086 5.692 1.000 1 A TRP 83.927 1 +ATOM 2241 C CE3 . TRP 275 275 ? A 0.196 29.720 6.635 1.000 1 A TRP 74.580 1 +ATOM 2242 C CZ2 . TRP 275 275 ? A 4.725 29.790 4.307 1.000 1 A TRP 85.534 1 +ATOM 2243 C CZ3 . TRP 275 275 ? A 0.659 28.065 6.809 1.000 1 A TRP 77.830 1 +ATOM 2244 C CH2 . TRP 275 275 ? A 0.859 29.360 7.371 1.000 1 A TRP 80.234 1 +ATOM 2245 N N . GLU 276 276 ? A 4.567 28.312 1.895 1.000 1 A GLU 86.945 1 +ATOM 2246 C CA . GLU 276 276 ? A 4.166 27.794 0.783 1.000 1 A GLU 85.460 1 +ATOM 2247 C C . GLU 276 276 ? A 2.735 27.894 0.822 1.000 1 A GLU 83.917 1 +ATOM 2248 O O . GLU 276 276 ? A 2.443 28.829 0.475 1.000 1 A GLU 79.101 1 +ATOM 2249 C CB . GLU 276 276 ? A 3.507 27.793 -0.422 1.000 1 A GLU 79.278 1 +ATOM 2250 C CG . GLU 276 276 ? A 5.595 27.857 0.791 1.000 1 A GLU 71.882 1 +ATOM 2251 C CD . GLU 276 276 ? A 6.398 26.640 0.435 1.000 1 A GLU 66.338 1 +ATOM 2252 O OE1 . GLU 276 276 ? A 7.302 26.887 1.203 1.000 1 A GLU 60.196 1 +ATOM 2253 O OE2 . GLU 276 276 ? A 7.823 26.557 0.725 1.000 1 A GLU 58.239 1 +ATOM 2254 N N . PRO 277 277 ? A 1.537 29.756 1.606 1.000 1 A PRO 78.132 1 +ATOM 2255 C CA . PRO 277 277 ? A 1.394 29.876 3.177 1.000 1 A PRO 78.853 1 +ATOM 2256 C C . PRO 277 277 ? A 0.252 27.971 1.624 1.000 1 A PRO 74.956 1 +ATOM 2257 O O . PRO 277 277 ? A 1.845 28.168 2.873 1.000 1 A PRO 67.800 1 +ATOM 2258 C CB . PRO 277 277 ? A 1.484 28.047 2.276 1.000 1 A PRO 70.724 1 +ATOM 2259 C CG . PRO 277 277 ? A 2.186 28.079 1.611 1.000 1 A PRO 70.422 1 +ATOM 2260 C CD . PRO 277 277 ? A 1.583 29.353 0.930 1.000 1 A PRO 75.846 1 +ATOM 2261 N N . ALA 1 1 ? B 7.061 -21.322 25.680 1.000 2 B ALA 61.561 1 +ATOM 2262 C CA . ALA 1 1 ? B 7.475 -13.687 14.355 1.000 2 B ALA 68.337 1 +ATOM 2263 C C . ALA 1 1 ? B 9.256 -13.179 -0.363 1.000 2 B ALA 72.221 1 +ATOM 2264 O O . ALA 1 1 ? B 6.661 -15.754 14.058 1.000 2 B ALA 69.374 1 +ATOM 2265 C CB . ALA 1 1 ? B 9.509 -15.820 25.804 1.000 2 B ALA 61.488 1 +ATOM 2266 N N . ILE 2 2 ? B 9.588 -20.779 15.120 1.000 2 B ILE 69.031 1 +ATOM 2267 C CA . ILE 2 2 ? B 9.412 -18.774 18.208 1.000 2 B ILE 74.269 1 +ATOM 2268 C C . ILE 2 2 ? B 6.954 -5.654 13.829 1.000 2 B ILE 78.295 1 +ATOM 2269 O O . ILE 2 2 ? B 8.948 -14.311 14.712 1.000 2 B ILE 74.982 1 +ATOM 2270 C CB . ILE 2 2 ? B 4.720 -6.683 16.636 1.000 2 B ILE 69.784 1 +ATOM 2271 C CG1 . ILE 2 2 ? B 9.616 -17.700 15.049 1.000 2 B ILE 63.732 1 +ATOM 2272 C CG2 . ILE 2 2 ? B 10.170 -17.647 16.695 1.000 2 B ILE 61.589 1 +ATOM 2273 C CD1 . ILE 2 2 ? B 11.646 -18.756 13.580 1.000 2 B ILE 59.076 1 +ATOM 2274 N N . GLN 3 3 ? B 8.517 -12.095 17.034 1.000 2 B GLN 79.065 1 +ATOM 2275 C CA . GLN 3 3 ? B 8.290 -10.181 16.477 1.000 2 B GLN 87.275 1 +ATOM 2276 C C . GLN 3 3 ? B 7.232 -10.935 16.583 1.000 2 B GLN 90.073 1 +ATOM 2277 O O . GLN 3 3 ? B 7.882 -13.004 17.568 1.000 2 B GLN 88.476 1 +ATOM 2278 C CB . GLN 3 3 ? B 8.192 -9.184 16.457 1.000 2 B GLN 85.067 1 +ATOM 2279 C CG . GLN 3 3 ? B 5.262 -11.961 18.006 1.000 2 B GLN 82.706 1 +ATOM 2280 C CD . GLN 3 3 ? B 3.507 -13.979 19.813 1.000 2 B GLN 79.323 1 +ATOM 2281 O OE1 . GLN 3 3 ? B 2.863 -14.608 20.370 1.000 2 B GLN 71.094 1 +ATOM 2282 N NE2 . GLN 3 3 ? B 9.823 -11.082 18.802 1.000 2 B GLN 68.884 1 +ATOM 2283 N N . ARG 4 4 ? B 6.073 -10.118 7.620 1.000 2 B ARG 88.638 1 +ATOM 2284 C CA . ARG 4 4 ? B 6.553 -9.867 9.031 1.000 2 B ARG 92.519 1 +ATOM 2285 C C . ARG 4 4 ? B 7.312 -6.744 14.423 1.000 2 B ARG 94.149 1 +ATOM 2286 O O . ARG 4 4 ? B 8.606 -5.932 14.199 1.000 2 B ARG 94.041 1 +ATOM 2287 C CB . ARG 4 4 ? B 5.725 -6.718 15.239 1.000 2 B ARG 91.902 1 +ATOM 2288 C CG . ARG 4 4 ? B 12.279 -10.495 9.113 1.000 2 B ARG 89.072 1 +ATOM 2289 C CD . ARG 4 4 ? B 7.183 -9.715 10.765 1.000 2 B ARG 84.525 1 +ATOM 2290 N NE . ARG 4 4 ? B 7.674 -4.290 20.447 1.000 2 B ARG 78.702 1 +ATOM 2291 C CZ . ARG 4 4 ? B 8.383 -3.502 24.146 1.000 2 B ARG 71.665 1 +ATOM 2292 N NH1 . ARG 4 4 ? B 7.700 -3.156 25.489 1.000 2 B ARG 65.237 1 +ATOM 2293 N NH2 . ARG 4 4 ? B 15.109 -13.897 2.277 1.000 2 B ARG 65.482 1 +ATOM 2294 N N . THR 5 5 ? B 6.271 -3.764 9.614 1.000 2 B THR 94.625 1 +ATOM 2295 C CA . THR 5 5 ? B 6.809 -6.079 18.090 1.000 2 B THR 95.950 1 +ATOM 2296 C C . THR 5 5 ? B 4.990 -3.187 15.223 1.000 2 B THR 96.137 1 +ATOM 2297 O O . THR 5 5 ? B 5.393 -6.480 19.947 1.000 2 B THR 95.891 1 +ATOM 2298 C CB . THR 5 5 ? B 6.775 -3.354 14.343 1.000 2 B THR 95.513 1 +ATOM 2299 O OG1 . THR 5 5 ? B 7.778 -5.580 19.687 1.000 2 B THR 81.214 1 +ATOM 2300 C CG2 . THR 5 5 ? B 6.409 -0.156 11.243 1.000 2 B THR 84.737 1 +ATOM 2301 N N . PRO 6 6 ? B 7.603 3.558 13.737 1.000 2 B PRO 92.498 1 +ATOM 2302 C CA . PRO 6 6 ? B 7.520 1.123 14.546 1.000 2 B PRO 94.243 1 +ATOM 2303 C C . PRO 6 6 ? B -4.235 -8.890 16.763 1.000 2 B PRO 93.912 1 +ATOM 2304 O O . PRO 6 6 ? B -5.662 -10.180 17.350 1.000 2 B PRO 94.404 1 +ATOM 2305 C CB . PRO 6 6 ? B 10.079 0.781 14.583 1.000 2 B PRO 94.646 1 +ATOM 2306 C CG . PRO 6 6 ? B 10.815 -6.692 20.677 1.000 2 B PRO 93.935 1 +ATOM 2307 C CD . PRO 6 6 ? B -7.027 -1.495 14.258 1.000 2 B PRO 96.589 1 +ATOM 2308 N N . LYS 7 7 ? B 4.296 -0.755 13.999 1.000 2 B LYS 94.837 1 +ATOM 2309 C CA . LYS 7 7 ? B 3.058 0.099 14.341 1.000 2 B LYS 95.210 1 +ATOM 2310 C C . LYS 7 7 ? B 2.005 1.324 14.010 1.000 2 B LYS 95.762 1 +ATOM 2311 O O . LYS 7 7 ? B 2.682 1.527 15.463 1.000 2 B LYS 95.358 1 +ATOM 2312 C CB . LYS 7 7 ? B 3.286 1.123 14.863 1.000 2 B LYS 94.057 1 +ATOM 2313 C CG . LYS 7 7 ? B 4.632 1.611 13.953 1.000 2 B LYS 91.031 1 +ATOM 2314 C CD . LYS 7 7 ? B 6.476 1.045 13.740 1.000 2 B LYS 81.994 1 +ATOM 2315 C CE . LYS 7 7 ? B 9.540 1.903 11.678 1.000 2 B LYS 68.159 1 +ATOM 2316 N NZ . LYS 7 7 ? B 5.742 2.249 12.805 1.000 2 B LYS 61.872 1 +ATOM 2317 N N . ILE 8 8 ? B -7.434 4.640 7.531 1.000 2 B ILE 92.784 1 +ATOM 2318 C CA . ILE 8 8 ? B 1.162 -5.989 17.657 1.000 2 B ILE 94.605 1 +ATOM 2319 C C . ILE 8 8 ? B 1.079 -4.700 15.354 1.000 2 B ILE 94.888 1 +ATOM 2320 O O . ILE 8 8 ? B 0.964 -3.853 15.231 1.000 2 B ILE 93.000 1 +ATOM 2321 C CB . ILE 8 8 ? B 2.959 11.282 7.866 1.000 2 B ILE 94.755 1 +ATOM 2322 C CG1 . ILE 8 8 ? B 1.259 0.751 15.454 1.000 2 B ILE 95.602 1 +ATOM 2323 C CG2 . ILE 8 8 ? B -2.529 1.568 16.049 1.000 2 B ILE 95.018 1 +ATOM 2324 C CD1 . ILE 8 8 ? B -0.115 4.037 13.216 1.000 2 B ILE 88.392 1 +ATOM 2325 N N . GLN 9 9 ? B -2.295 0.840 11.225 1.000 2 B GLN 95.861 1 +ATOM 2326 C CA . GLN 9 9 ? B -0.718 2.883 13.037 1.000 2 B GLN 96.223 1 +ATOM 2327 C C . GLN 9 9 ? B -0.290 1.871 9.640 1.000 2 B GLN 96.958 1 +ATOM 2328 O O . GLN 9 9 ? B -2.334 2.228 10.491 1.000 2 B GLN 97.070 1 +ATOM 2329 C CB . GLN 9 9 ? B -1.687 6.093 12.140 1.000 2 B GLN 95.629 1 +ATOM 2330 C CG . GLN 9 9 ? B -1.021 2.945 11.315 1.000 2 B GLN 94.068 1 +ATOM 2331 C CD . GLN 9 9 ? B 0.472 4.480 11.489 1.000 2 B GLN 90.810 1 +ATOM 2332 O OE1 . GLN 9 9 ? B -0.112 5.418 10.033 1.000 2 B GLN 80.263 1 +ATOM 2333 N NE2 . GLN 9 9 ? B 1.299 5.855 10.779 1.000 2 B GLN 79.082 1 +ATOM 2334 N N . VAL 10 10 ? B 0.402 2.686 8.208 1.000 2 B VAL 98.081 1 +ATOM 2335 C CA . VAL 10 10 ? B -3.945 4.735 13.138 1.000 2 B VAL 98.289 1 +ATOM 2336 C C . VAL 10 10 ? B -3.038 6.024 9.960 1.000 2 B VAL 98.158 1 +ATOM 2337 O O . VAL 10 10 ? B -3.486 6.919 12.426 1.000 2 B VAL 97.525 1 +ATOM 2338 C CB . VAL 10 10 ? B -5.702 6.811 16.906 1.000 2 B VAL 98.008 1 +ATOM 2339 C CG1 . VAL 10 10 ? B 0.213 1.022 8.428 1.000 2 B VAL 96.474 1 +ATOM 2340 C CG2 . VAL 10 10 ? B -6.044 4.936 8.270 1.000 2 B VAL 97.335 1 +ATOM 2341 N N . TYR 11 11 ? B -7.877 3.208 10.890 1.000 2 B TYR 98.194 1 +ATOM 2342 C CA . TYR 11 11 ? B -6.258 4.761 10.134 1.000 2 B TYR 98.197 1 +ATOM 2343 C C . TYR 11 11 ? B 0.819 10.375 9.833 1.000 2 B TYR 98.272 1 +ATOM 2344 O O . TYR 11 11 ? B -5.880 5.068 9.593 1.000 2 B TYR 98.226 1 +ATOM 2345 C CB . TYR 11 11 ? B -2.528 10.499 9.005 1.000 2 B TYR 98.139 1 +ATOM 2346 C CG . TYR 11 11 ? B -4.388 4.971 8.095 1.000 2 B TYR 98.448 1 +ATOM 2347 C CD1 . TYR 11 11 ? B -4.111 0.310 7.983 1.000 2 B TYR 98.420 1 +ATOM 2348 C CD2 . TYR 11 11 ? B -5.454 5.309 5.996 1.000 2 B TYR 98.385 1 +ATOM 2349 C CE1 . TYR 11 11 ? B -2.775 12.388 6.635 1.000 2 B TYR 98.407 1 +ATOM 2350 C CE2 . TYR 11 11 ? B -3.642 16.855 3.078 1.000 2 B TYR 98.324 1 +ATOM 2351 C CZ . TYR 11 11 ? B 0.698 -5.056 6.725 1.000 2 B TYR 98.445 1 +ATOM 2352 O OH . TYR 11 11 ? B -4.655 -4.155 4.998 1.000 2 B TYR 98.111 1 +ATOM 2353 N N . SER 12 12 ? B -21.482 7.809 4.087 1.000 2 B SER 97.034 1 +ATOM 2354 C CA . SER 12 12 ? B -9.529 8.331 -4.630 1.000 2 B SER 97.007 1 +ATOM 2355 C C . SER 12 12 ? B -17.581 7.922 -1.358 1.000 2 B SER 97.044 1 +ATOM 2356 O O . SER 12 12 ? B -2.145 11.051 19.779 1.000 2 B SER 96.600 1 +ATOM 2357 C CB . SER 12 12 ? B -2.320 11.350 18.436 1.000 2 B SER 95.882 1 +ATOM 2358 O OG . SER 12 12 ? B -7.075 8.171 4.843 1.000 2 B SER 94.043 1 +ATOM 2359 N N . ARG 13 13 ? B -8.687 12.283 4.136 1.000 2 B ARG 94.380 1 +ATOM 2360 C CA . ARG 13 13 ? B -4.227 8.468 2.907 1.000 2 B ARG 92.185 1 +ATOM 2361 C C . ARG 13 13 ? B -5.355 10.878 1.757 1.000 2 B ARG 90.502 1 +ATOM 2362 O O . ARG 13 13 ? B -10.476 14.854 5.725 1.000 2 B ARG 89.926 1 +ATOM 2363 C CB . ARG 13 13 ? B -3.031 4.767 0.221 1.000 2 B ARG 91.469 1 +ATOM 2364 C CG . ARG 13 13 ? B -11.432 12.683 4.362 1.000 2 B ARG 92.504 1 +ATOM 2365 C CD . ARG 13 13 ? B -13.254 13.075 4.184 1.000 2 B ARG 90.321 1 +ATOM 2366 N NE . ARG 13 13 ? B -13.300 12.169 3.595 1.000 2 B ARG 88.698 1 +ATOM 2367 C CZ . ARG 13 13 ? B -9.995 8.386 2.156 1.000 2 B ARG 84.002 1 +ATOM 2368 N NH1 . ARG 13 13 ? B -4.160 -1.912 -0.803 1.000 2 B ARG 84.161 1 +ATOM 2369 N NH2 . ARG 13 13 ? B -13.495 11.655 1.427 1.000 2 B ARG 80.469 1 +ATOM 2370 N N . HIS 14 14 ? B -7.955 15.699 12.043 1.000 2 B HIS 93.014 1 +ATOM 2371 C CA . HIS 14 14 ? B -7.843 14.853 7.213 1.000 2 B HIS 90.376 1 +ATOM 2372 C C . HIS 14 14 ? B -6.535 15.413 1.735 1.000 2 B HIS 90.113 1 +ATOM 2373 O O . HIS 14 14 ? B -5.630 12.263 -4.952 1.000 2 B HIS 90.307 1 +ATOM 2374 C CB . HIS 14 14 ? B -8.200 13.355 9.333 1.000 2 B HIS 87.678 1 +ATOM 2375 C CG . HIS 14 14 ? B -7.532 12.374 9.320 1.000 2 B HIS 91.429 1 +ATOM 2376 N ND1 . HIS 14 14 ? B -8.402 11.948 8.653 1.000 2 B HIS 83.614 1 +ATOM 2377 C CD2 . HIS 14 14 ? B -5.029 13.638 5.506 1.000 2 B HIS 80.062 1 +ATOM 2378 C CE1 . HIS 14 14 ? B -4.217 18.768 2.789 1.000 2 B HIS 84.076 1 +ATOM 2379 N NE2 . HIS 14 14 ? B -1.659 9.118 -3.428 1.000 2 B HIS 88.320 1 +ATOM 2380 N N . PRO 15 15 ? B -6.463 18.534 7.682 1.000 2 B PRO 90.647 1 +ATOM 2381 C CA . PRO 15 15 ? B -8.310 15.105 2.706 1.000 2 B PRO 89.700 1 +ATOM 2382 C C . PRO 15 15 ? B -6.845 15.176 6.926 1.000 2 B PRO 90.754 1 +ATOM 2383 O O . PRO 15 15 ? B -9.241 19.134 8.226 1.000 2 B PRO 88.672 1 +ATOM 2384 C CB . PRO 15 15 ? B -9.595 18.832 7.639 1.000 2 B PRO 86.102 1 +ATOM 2385 C CG . PRO 15 15 ? B -7.351 16.013 4.842 1.000 2 B PRO 86.225 1 +ATOM 2386 C CD . PRO 15 15 ? B -7.388 17.451 4.045 1.000 2 B PRO 90.521 1 +ATOM 2387 N N . ALA 16 16 ? B -10.516 20.232 8.067 1.000 2 B ALA 89.975 1 +ATOM 2388 C CA . ALA 16 16 ? B -10.391 16.085 9.566 1.000 2 B ALA 91.505 1 +ATOM 2389 C C . ALA 16 16 ? B -13.460 20.721 6.558 1.000 2 B ALA 92.619 1 +ATOM 2390 O O . ALA 16 16 ? B -9.471 19.682 8.950 1.000 2 B ALA 90.734 1 +ATOM 2391 C CB . ALA 16 16 ? B -9.385 19.235 6.242 1.000 2 B ALA 90.492 1 +ATOM 2392 N N . GLU 17 17 ? B -12.037 19.405 12.593 1.000 2 B GLU 89.424 1 +ATOM 2393 C CA . GLU 17 17 ? B -12.009 19.104 12.268 1.000 2 B GLU 89.616 1 +ATOM 2394 C C . GLU 17 17 ? B -10.668 16.381 5.165 1.000 2 B GLU 91.233 1 +ATOM 2395 O O . GLU 17 17 ? B -12.990 20.403 18.729 1.000 2 B GLU 90.139 1 +ATOM 2396 C CB . GLU 17 17 ? B -11.406 17.139 12.387 1.000 2 B GLU 88.031 1 +ATOM 2397 C CG . GLU 17 17 ? B -7.638 20.576 6.922 1.000 2 B GLU 73.085 1 +ATOM 2398 C CD . GLU 17 17 ? B -11.398 22.765 16.351 1.000 2 B GLU 70.310 1 +ATOM 2399 O OE1 . GLU 17 17 ? B -15.936 25.414 4.802 1.000 2 B GLU 67.974 1 +ATOM 2400 O OE2 . GLU 17 17 ? B -12.033 23.465 3.982 1.000 2 B GLU 62.196 1 +ATOM 2401 N N . ASN 18 18 ? B -13.518 20.091 13.022 1.000 2 B ASN 94.212 1 +ATOM 2402 C CA . ASN 18 18 ? B -12.056 20.950 10.684 1.000 2 B ASN 94.860 1 +ATOM 2403 C C . ASN 18 18 ? B -11.687 20.484 10.451 1.000 2 B ASN 94.859 1 +ATOM 2404 O O . ASN 18 18 ? B -15.053 19.735 12.317 1.000 2 B ASN 92.854 1 +ATOM 2405 C CB . ASN 18 18 ? B -15.831 20.722 11.939 1.000 2 B ASN 94.270 1 +ATOM 2406 C CG . ASN 18 18 ? B -11.469 21.878 12.173 1.000 2 B ASN 94.171 1 +ATOM 2407 O OD1 . ASN 18 18 ? B -14.995 20.301 14.019 1.000 2 B ASN 89.217 1 +ATOM 2408 N ND2 . ASN 18 18 ? B -14.564 23.095 13.416 1.000 2 B ASN 87.230 1 +ATOM 2409 N N . GLY 19 19 ? B -13.320 20.256 8.058 1.000 2 B GLY 93.724 1 +ATOM 2410 C CA . GLY 19 19 ? B -15.840 16.183 11.525 1.000 2 B GLY 92.468 1 +ATOM 2411 C C . GLY 19 19 ? B -15.755 18.610 10.766 1.000 2 B GLY 93.753 1 +ATOM 2412 O O . GLY 19 19 ? B -16.311 19.051 10.441 1.000 2 B GLY 91.207 1 +ATOM 2413 N N . LYS 20 20 ? B -17.640 17.729 9.639 1.000 2 B LYS 89.007 1 +ATOM 2414 C CA . LYS 20 20 ? B -20.388 22.677 17.256 1.000 2 B LYS 90.632 1 +ATOM 2415 C C . LYS 20 20 ? B -17.248 18.710 10.411 1.000 2 B LYS 91.328 1 +ATOM 2416 O O . LYS 20 20 ? B -17.476 19.301 8.799 1.000 2 B LYS 89.612 1 +ATOM 2417 C CB . LYS 20 20 ? B -15.629 18.300 9.885 1.000 2 B LYS 89.356 1 +ATOM 2418 C CG . LYS 20 20 ? B -16.134 17.205 6.510 1.000 2 B LYS 75.195 1 +ATOM 2419 C CD . LYS 20 20 ? B -15.630 15.999 5.656 1.000 2 B LYS 69.754 1 +ATOM 2420 C CE . LYS 20 20 ? B -13.375 16.659 4.719 1.000 2 B LYS 61.229 1 +ATOM 2421 N NZ . LYS 20 20 ? B -17.232 25.186 5.233 1.000 2 B LYS 55.320 1 +ATOM 2422 N N . SER 21 21 ? B -17.666 13.898 8.865 1.000 2 B SER 93.606 1 +ATOM 2423 C CA . SER 21 21 ? B -16.800 22.357 7.117 1.000 2 B SER 95.471 1 +ATOM 2424 C C . SER 21 21 ? B -14.791 11.680 7.576 1.000 2 B SER 96.169 1 +ATOM 2425 O O . SER 21 21 ? B -16.131 11.695 8.649 1.000 2 B SER 94.358 1 +ATOM 2426 C CB . SER 21 21 ? B -16.910 14.367 7.621 1.000 2 B SER 93.775 1 +ATOM 2427 O OG . SER 21 21 ? B -17.173 11.499 9.228 1.000 2 B SER 87.822 1 +ATOM 2428 N N . ASN 22 22 ? B -14.614 12.446 7.962 1.000 2 B ASN 95.784 1 +ATOM 2429 C CA . ASN 22 22 ? B -13.697 12.661 7.092 1.000 2 B ASN 96.537 1 +ATOM 2430 C C . ASN 22 22 ? B -12.315 13.313 6.270 1.000 2 B ASN 96.914 1 +ATOM 2431 O O . ASN 22 22 ? B -12.499 11.124 7.123 1.000 2 B ASN 96.084 1 +ATOM 2432 C CB . ASN 22 22 ? B -12.332 12.995 6.896 1.000 2 B ASN 95.473 1 +ATOM 2433 C CG . ASN 22 22 ? B -13.998 14.563 6.901 1.000 2 B ASN 95.818 1 +ATOM 2434 O OD1 . ASN 22 22 ? B -12.202 13.779 6.753 1.000 2 B ASN 94.080 1 +ATOM 2435 N ND2 . ASN 22 22 ? B -11.976 14.465 5.422 1.000 2 B ASN 92.792 1 +ATOM 2436 N N . PHE 23 23 ? B -7.178 12.434 10.830 1.000 2 B PHE 96.751 1 +ATOM 2437 C CA . PHE 23 23 ? B -8.494 11.368 10.550 1.000 2 B PHE 97.007 1 +ATOM 2438 C C . PHE 23 23 ? B -23.081 6.326 4.371 1.000 2 B PHE 97.251 1 +ATOM 2439 O O . PHE 23 23 ? B -7.945 11.391 10.230 1.000 2 B PHE 96.767 1 +ATOM 2440 C CB . PHE 23 23 ? B -20.143 5.176 4.502 1.000 2 B PHE 96.861 1 +ATOM 2441 C CG . PHE 23 23 ? B -21.056 5.344 4.083 1.000 2 B PHE 96.740 1 +ATOM 2442 C CD1 . PHE 23 23 ? B -11.696 8.117 7.260 1.000 2 B PHE 94.465 1 +ATOM 2443 C CD2 . PHE 23 23 ? B -12.753 9.699 6.057 1.000 2 B PHE 94.328 1 +ATOM 2444 C CE1 . PHE 23 23 ? B -11.667 7.476 6.035 1.000 2 B PHE 92.541 1 +ATOM 2445 C CE2 . PHE 23 23 ? B -17.454 6.052 4.087 1.000 2 B PHE 91.933 1 +ATOM 2446 C CZ . PHE 23 23 ? B -9.444 9.360 6.295 1.000 2 B PHE 92.966 1 +ATOM 2447 N N . LEU 24 24 ? B -11.362 7.791 11.532 1.000 2 B LEU 97.950 1 +ATOM 2448 C CA . LEU 24 24 ? B -10.943 8.017 12.931 1.000 2 B LEU 98.235 1 +ATOM 2449 C C . LEU 24 24 ? B -11.603 7.398 11.696 1.000 2 B LEU 98.401 1 +ATOM 2450 O O . LEU 24 24 ? B -13.261 7.074 12.516 1.000 2 B LEU 98.130 1 +ATOM 2451 C CB . LEU 24 24 ? B -2.885 6.295 9.745 1.000 2 B LEU 98.082 1 +ATOM 2452 C CG . LEU 24 24 ? B -6.358 5.710 12.013 1.000 2 B LEU 97.814 1 +ATOM 2453 C CD1 . LEU 24 24 ? B -23.442 8.995 9.825 1.000 2 B LEU 97.035 1 +ATOM 2454 C CD2 . LEU 24 24 ? B -6.391 9.640 12.282 1.000 2 B LEU 96.689 1 +ATOM 2455 N N . ASN 25 25 ? B -14.417 7.498 9.969 1.000 2 B ASN 98.224 1 +ATOM 2456 C CA . ASN 25 25 ? B -4.381 10.283 17.369 1.000 2 B ASN 98.442 1 +ATOM 2457 C C . ASN 25 25 ? B -7.298 7.758 10.398 1.000 2 B ASN 98.443 1 +ATOM 2458 O O . ASN 25 25 ? B -9.146 7.072 7.087 1.000 2 B ASN 98.266 1 +ATOM 2459 C CB . ASN 25 25 ? B -7.795 11.430 2.791 1.000 2 B ASN 98.350 1 +ATOM 2460 C CG . ASN 25 25 ? B -10.066 8.192 9.213 1.000 2 B ASN 98.311 1 +ATOM 2461 O OD1 . ASN 25 25 ? B -4.124 8.163 14.662 1.000 2 B ASN 94.945 1 +ATOM 2462 N ND2 . ASN 25 25 ? B -3.947 8.268 13.212 1.000 2 B ASN 93.431 1 +ATOM 2463 N N . CYS 26 26 ? B -4.540 6.121 4.711 1.000 2 B CYS 98.523 1 +ATOM 2464 C CA . CYS 26 26 ? B -4.236 2.134 15.082 1.000 2 B CYS 98.555 1 +ATOM 2465 C C . CYS 26 26 ? B -4.006 0.517 14.510 1.000 2 B CYS 98.473 1 +ATOM 2466 O O . CYS 26 26 ? B -5.681 0.564 16.577 1.000 2 B CYS 98.368 1 +ATOM 2467 C CB . CYS 26 26 ? B -2.654 13.503 17.751 1.000 2 B CYS 98.485 1 +ATOM 2468 S SG . CYS 26 26 ? B -6.147 -0.093 14.549 1.000 2 B CYS 98.346 1 +ATOM 2469 N N . TYR 27 27 ? B -5.844 2.135 18.741 1.000 2 B TYR 98.179 1 +ATOM 2470 C CA . TYR 27 27 ? B 5.529 -5.938 16.832 1.000 2 B TYR 98.175 1 +ATOM 2471 C C . TYR 27 27 ? B 6.397 5.153 6.120 1.000 2 B TYR 98.131 1 +ATOM 2472 O O . TYR 27 27 ? B -6.506 2.269 16.832 1.000 2 B TYR 97.900 1 +ATOM 2473 C CB . TYR 27 27 ? B 2.226 0.856 13.028 1.000 2 B TYR 97.919 1 +ATOM 2474 C CG . TYR 27 27 ? B 2.014 9.377 14.750 1.000 2 B TYR 97.723 1 +ATOM 2475 C CD1 . TYR 27 27 ? B -10.461 6.555 14.628 1.000 2 B TYR 97.693 1 +ATOM 2476 C CD2 . TYR 27 27 ? B 1.421 -1.389 3.052 1.000 2 B TYR 97.055 1 +ATOM 2477 C CE1 . TYR 27 27 ? B -1.131 8.603 14.620 1.000 2 B TYR 96.938 1 +ATOM 2478 C CE2 . TYR 27 27 ? B -11.128 6.221 12.312 1.000 2 B TYR 96.255 1 +ATOM 2479 C CZ . TYR 27 27 ? B 0.469 -1.496 -0.818 1.000 2 B TYR 96.472 1 +ATOM 2480 O OH . TYR 27 27 ? B -2.439 4.662 8.502 1.000 2 B TYR 94.913 1 +ATOM 2481 N N . VAL 28 28 ? B 0.287 3.224 8.634 1.000 2 B VAL 97.423 1 +ATOM 2482 C CA . VAL 28 28 ? B 0.038 1.069 10.607 1.000 2 B VAL 97.585 1 +ATOM 2483 C C . VAL 28 28 ? B -3.701 7.445 3.250 1.000 2 B VAL 97.043 1 +ATOM 2484 O O . VAL 28 28 ? B 2.667 2.974 5.995 1.000 2 B VAL 96.648 1 +ATOM 2485 C CB . VAL 28 28 ? B -3.360 -6.173 18.706 1.000 2 B VAL 97.007 1 +ATOM 2486 C CG1 . VAL 28 28 ? B 4.785 -0.265 9.571 1.000 2 B VAL 95.458 1 +ATOM 2487 C CG2 . VAL 28 28 ? B -6.146 8.485 3.367 1.000 2 B VAL 92.368 1 +ATOM 2488 N N . SER 29 29 ? B 2.499 -1.531 11.138 1.000 2 B SER 97.312 1 +ATOM 2489 C CA . SER 29 29 ? B 3.362 -0.922 11.616 1.000 2 B SER 97.184 1 +ATOM 2490 C C . SER 29 29 ? B 1.806 -2.411 15.057 1.000 2 B SER 97.035 1 +ATOM 2491 O O . SER 29 29 ? B 5.129 -0.747 10.207 1.000 2 B SER 96.815 1 +ATOM 2492 C CB . SER 29 29 ? B 4.668 -1.778 11.018 1.000 2 B SER 96.638 1 +ATOM 2493 O OG . SER 29 29 ? B 3.502 0.954 11.167 1.000 2 B SER 95.224 1 +ATOM 2494 N N . GLY 30 30 ? B 3.178 -6.247 3.589 1.000 2 B GLY 96.793 1 +ATOM 2495 C CA . GLY 30 30 ? B 8.536 0.178 20.302 1.000 2 B GLY 96.171 1 +ATOM 2496 C C . GLY 30 30 ? B 7.831 -1.729 19.818 1.000 2 B GLY 96.453 1 +ATOM 2497 O O . GLY 30 30 ? B 4.176 -6.293 3.483 1.000 2 B GLY 95.542 1 +ATOM 2498 N N . PHE 31 31 ? B 3.961 -6.201 12.926 1.000 2 B PHE 96.218 1 +ATOM 2499 C CA . PHE 31 31 ? B 4.624 -5.803 15.842 1.000 2 B PHE 95.391 1 +ATOM 2500 C C . PHE 31 31 ? B 8.868 -10.462 12.449 1.000 2 B PHE 95.424 1 +ATOM 2501 O O . PHE 31 31 ? B 6.397 -8.261 12.908 1.000 2 B PHE 94.503 1 +ATOM 2502 C CB . PHE 31 31 ? B 5.980 -7.504 11.401 1.000 2 B PHE 94.664 1 +ATOM 2503 C CG . PHE 31 31 ? B 0.432 -3.997 17.433 1.000 2 B PHE 96.066 1 +ATOM 2504 C CD1 . PHE 31 31 ? B 5.134 -4.886 10.107 1.000 2 B PHE 94.793 1 +ATOM 2505 C CD2 . PHE 31 31 ? B 3.725 -4.329 12.595 1.000 2 B PHE 95.138 1 +ATOM 2506 C CE1 . PHE 31 31 ? B 0.252 -2.214 19.402 1.000 2 B PHE 94.323 1 +ATOM 2507 C CE2 . PHE 31 31 ? B 6.155 -3.631 9.596 1.000 2 B PHE 94.951 1 +ATOM 2508 C CZ . PHE 31 31 ? B 4.757 -5.746 -1.179 1.000 2 B PHE 94.783 1 +ATOM 2509 N N . HIS 32 32 ? B -5.047 0.783 7.231 1.000 2 B HIS 96.403 1 +ATOM 2510 C CA . HIS 32 32 ? B 2.579 -11.428 14.163 1.000 2 B HIS 95.831 1 +ATOM 2511 C C . HIS 32 32 ? B 2.172 -12.595 14.794 1.000 2 B HIS 93.830 1 +ATOM 2512 O O . HIS 32 32 ? B 3.629 -13.989 16.688 1.000 2 B HIS 92.305 1 +ATOM 2513 C CB . HIS 32 32 ? B 2.505 -11.972 13.651 1.000 2 B HIS 95.712 1 +ATOM 2514 C CG . HIS 32 32 ? B 7.387 -14.119 13.286 1.000 2 B HIS 96.084 1 +ATOM 2515 N ND1 . HIS 32 32 ? B 12.898 -14.007 12.912 1.000 2 B HIS 87.489 1 +ATOM 2516 C CD2 . HIS 32 32 ? B 3.716 -13.275 13.002 1.000 2 B HIS 83.941 1 +ATOM 2517 C CE1 . HIS 32 32 ? B 11.819 -13.939 12.792 1.000 2 B HIS 89.160 1 +ATOM 2518 N NE2 . HIS 32 32 ? B -2.925 -1.684 8.865 1.000 2 B HIS 92.291 1 +ATOM 2519 N N . PRO 33 33 ? B 4.420 -8.510 4.389 1.000 2 B PRO 91.728 1 +ATOM 2520 C CA . PRO 33 33 ? B 4.434 -11.905 15.059 1.000 2 B PRO 91.795 1 +ATOM 2521 C C . PRO 33 33 ? B -2.148 -10.483 12.729 1.000 2 B PRO 92.323 1 +ATOM 2522 O O . PRO 33 33 ? B 7.265 -12.073 15.382 1.000 2 B PRO 92.803 1 +ATOM 2523 C CB . PRO 33 33 ? B -4.312 -13.960 19.703 1.000 2 B PRO 89.900 1 +ATOM 2524 C CG . PRO 33 33 ? B -4.999 -13.509 20.926 1.000 2 B PRO 91.301 1 +ATOM 2525 C CD . PRO 33 33 ? B 10.647 -8.971 0.312 1.000 2 B PRO 93.062 1 +ATOM 2526 N N . SER 34 34 ? B 1.961 -11.011 14.562 1.000 2 B SER 91.018 1 +ATOM 2527 C CA . SER 34 34 ? B 0.736 -10.241 13.915 1.000 2 B SER 91.129 1 +ATOM 2528 C C . SER 34 34 ? B -5.016 -11.563 10.944 1.000 2 B SER 90.967 1 +ATOM 2529 O O . SER 34 34 ? B -8.808 -10.901 9.885 1.000 2 B SER 90.408 1 +ATOM 2530 C CB . SER 34 34 ? B 0.736 -11.318 15.184 1.000 2 B SER 88.917 1 +ATOM 2531 O OG . SER 34 34 ? B -2.173 -15.570 9.004 1.000 2 B SER 87.839 1 +ATOM 2532 N N . ASP 35 35 ? B -1.779 -10.835 12.119 1.000 2 B ASP 91.511 1 +ATOM 2533 C CA . ASP 35 35 ? B -7.424 -0.834 15.121 1.000 2 B ASP 91.059 1 +ATOM 2534 C C . ASP 35 35 ? B -0.043 -10.918 11.725 1.000 2 B ASP 92.758 1 +ATOM 2535 O O . ASP 35 35 ? B -5.669 -8.144 16.336 1.000 2 B ASP 91.795 1 +ATOM 2536 C CB . ASP 35 35 ? B -2.703 -11.086 14.376 1.000 2 B ASP 87.825 1 +ATOM 2537 C CG . ASP 35 35 ? B -2.695 -12.352 15.138 1.000 2 B ASP 80.793 1 +ATOM 2538 O OD1 . ASP 35 35 ? B -2.699 -12.730 16.388 1.000 2 B ASP 73.959 1 +ATOM 2539 O OD2 . ASP 35 35 ? B -4.623 -8.123 17.972 1.000 2 B ASP 74.655 1 +ATOM 2540 N N . ILE 36 36 ? B -3.599 -7.798 16.340 1.000 2 B ILE 92.314 1 +ATOM 2541 C CA . ILE 36 36 ? B -6.516 -8.628 17.543 1.000 2 B ILE 94.567 1 +ATOM 2542 C C . ILE 36 36 ? B -7.780 -8.985 16.122 1.000 2 B ILE 94.762 1 +ATOM 2543 O O . ILE 36 36 ? B -5.405 -5.876 16.014 1.000 2 B ILE 93.315 1 +ATOM 2544 C CB . ILE 36 36 ? B -5.499 -6.446 18.087 1.000 2 B ILE 95.029 1 +ATOM 2545 C CG1 . ILE 36 36 ? B -3.307 -7.219 17.967 1.000 2 B ILE 94.945 1 +ATOM 2546 C CG2 . ILE 36 36 ? B -3.912 -7.378 16.754 1.000 2 B ILE 94.406 1 +ATOM 2547 C CD1 . ILE 36 36 ? B -2.543 -7.225 16.578 1.000 2 B ILE 94.082 1 +ATOM 2548 N N . GLU 37 37 ? B -6.642 -6.818 17.287 1.000 2 B GLU 93.168 1 +ATOM 2549 C CA . GLU 37 37 ? B -7.885 -7.004 18.419 1.000 2 B GLU 93.071 1 +ATOM 2550 C C . GLU 37 37 ? B -7.907 -3.304 16.825 1.000 2 B GLU 94.255 1 +ATOM 2551 O O . GLU 37 37 ? B -6.972 -5.274 18.875 1.000 2 B GLU 94.960 1 +ATOM 2552 C CB . GLU 37 37 ? B -7.988 -6.067 18.865 1.000 2 B GLU 92.179 1 +ATOM 2553 C CG . GLU 37 37 ? B -6.996 -6.973 20.933 1.000 2 B GLU 76.344 1 +ATOM 2554 C CD . GLU 37 37 ? B -7.662 -6.216 20.254 1.000 2 B GLU 71.677 1 +ATOM 2555 O OE1 . GLU 37 37 ? B -8.376 -5.692 20.267 1.000 2 B GLU 68.843 1 +ATOM 2556 O OE2 . GLU 37 37 ? B -6.465 -5.336 20.855 1.000 2 B GLU 62.863 1 +ATOM 2557 N N . VAL 38 38 ? B -10.422 -2.893 20.335 1.000 2 B VAL 93.130 1 +ATOM 2558 C CA . VAL 38 38 ? B -9.034 -2.828 19.160 1.000 2 B VAL 95.248 1 +ATOM 2559 C C . VAL 38 38 ? B -5.614 -1.481 15.267 1.000 2 B VAL 95.454 1 +ATOM 2560 O O . VAL 38 38 ? B 0.191 0.243 13.541 1.000 2 B VAL 94.031 1 +ATOM 2561 C CB . VAL 38 38 ? B -6.115 -1.212 12.111 1.000 2 B VAL 95.416 1 +ATOM 2562 C CG1 . VAL 38 38 ? B -9.016 -2.047 12.696 1.000 2 B VAL 95.225 1 +ATOM 2563 C CG2 . VAL 38 38 ? B -10.024 -1.343 20.234 1.000 2 B VAL 95.937 1 +ATOM 2564 N N . ASP 39 39 ? B -8.901 -1.773 17.561 1.000 2 B ASP 95.023 1 +ATOM 2565 C CA . ASP 39 39 ? B -10.602 -0.829 19.240 1.000 2 B ASP 95.475 1 +ATOM 2566 C C . ASP 39 39 ? B -12.546 5.583 27.873 1.000 2 B ASP 96.709 1 +ATOM 2567 O O . ASP 39 39 ? B -4.237 -2.167 11.758 1.000 2 B ASP 96.793 1 +ATOM 2568 C CB . ASP 39 39 ? B -6.189 -5.000 15.207 1.000 2 B ASP 94.605 1 +ATOM 2569 C CG . ASP 39 39 ? B -13.758 1.631 24.311 1.000 2 B ASP 93.954 1 +ATOM 2570 O OD1 . ASP 39 39 ? B -20.207 3.204 22.716 1.000 2 B ASP 89.398 1 +ATOM 2571 O OD2 . ASP 39 39 ? B -5.984 -7.663 13.927 1.000 2 B ASP 87.147 1 +ATOM 2572 N N . LEU 40 40 ? B -11.216 1.391 17.418 1.000 2 B LEU 97.747 1 +ATOM 2573 C CA . LEU 40 40 ? B -11.310 1.918 18.800 1.000 2 B LEU 98.037 1 +ATOM 2574 C C . LEU 40 40 ? B -11.275 3.391 19.432 1.000 2 B LEU 97.915 1 +ATOM 2575 O O . LEU 40 40 ? B -11.089 3.705 20.135 1.000 2 B LEU 97.473 1 +ATOM 2576 C CB . LEU 40 40 ? B -13.244 3.103 17.490 1.000 2 B LEU 98.082 1 +ATOM 2577 C CG . LEU 40 40 ? B -13.220 1.310 18.062 1.000 2 B LEU 96.742 1 +ATOM 2578 C CD1 . LEU 40 40 ? B -12.902 2.604 15.775 1.000 2 B LEU 91.458 1 +ATOM 2579 C CD2 . LEU 40 40 ? B -16.351 2.345 16.406 1.000 2 B LEU 93.390 1 +ATOM 2580 N N . LEU 41 41 ? B -10.513 2.045 19.686 1.000 2 B LEU 97.806 1 +ATOM 2581 C CA . LEU 41 41 ? B -15.288 8.585 22.970 1.000 2 B LEU 97.757 1 +ATOM 2582 C C . LEU 41 41 ? B -12.692 6.256 20.467 1.000 2 B LEU 97.564 1 +ATOM 2583 O O . LEU 41 41 ? B -12.624 7.520 20.597 1.000 2 B LEU 97.150 1 +ATOM 2584 C CB . LEU 41 41 ? B -9.556 5.352 20.440 1.000 2 B LEU 97.390 1 +ATOM 2585 C CG . LEU 41 41 ? B -9.997 3.684 17.521 1.000 2 B LEU 96.333 1 +ATOM 2586 C CD1 . LEU 41 41 ? B -12.229 2.850 19.255 1.000 2 B LEU 93.457 1 +ATOM 2587 C CD2 . LEU 41 41 ? B -10.085 2.622 20.317 1.000 2 B LEU 94.291 1 +ATOM 2588 N N . LYS 42 42 ? B -15.853 8.637 20.904 1.000 2 B LYS 95.130 1 +ATOM 2589 C CA . LYS 42 42 ? B -14.569 8.862 19.012 1.000 2 B LYS 95.060 1 +ATOM 2590 C C . LYS 42 42 ? B -13.910 8.202 21.050 1.000 2 B LYS 94.893 1 +ATOM 2591 O O . LYS 42 42 ? B -14.003 8.630 22.704 1.000 2 B LYS 93.703 1 +ATOM 2592 C CB . LYS 42 42 ? B -14.120 9.135 18.896 1.000 2 B LYS 93.002 1 +ATOM 2593 C CG . LYS 42 42 ? B -15.829 8.887 19.332 1.000 2 B LYS 93.450 1 +ATOM 2594 C CD . LYS 42 42 ? B -16.674 10.130 19.773 1.000 2 B LYS 92.610 1 +ATOM 2595 C CE . LYS 42 42 ? B -16.393 10.239 22.024 1.000 2 B LYS 88.656 1 +ATOM 2596 N NZ . LYS 42 42 ? B -17.637 9.969 22.558 1.000 2 B LYS 87.071 1 +ATOM 2597 N N . ASN 43 43 ? B -13.379 9.202 25.398 1.000 2 B ASN 97.125 1 +ATOM 2598 C CA . ASN 43 43 ? B -13.206 11.397 21.797 1.000 2 B ASN 96.742 1 +ATOM 2599 C C . ASN 43 43 ? B -12.246 9.034 25.415 1.000 2 B ASN 96.514 1 +ATOM 2600 O O . ASN 43 43 ? B -13.655 8.284 24.321 1.000 2 B ASN 95.386 1 +ATOM 2601 C CB . ASN 43 43 ? B -16.172 18.791 25.966 1.000 2 B ASN 96.392 1 +ATOM 2602 C CG . ASN 43 43 ? B -14.441 13.213 23.832 1.000 2 B ASN 96.528 1 +ATOM 2603 O OD1 . ASN 43 43 ? B -13.227 12.179 23.065 1.000 2 B ASN 93.088 1 +ATOM 2604 N ND2 . ASN 43 43 ? B -14.193 8.606 23.647 1.000 2 B ASN 92.554 1 +ATOM 2605 N N . GLY 44 44 ? B -13.236 8.510 24.346 1.000 2 B GLY 93.772 1 +ATOM 2606 C CA . GLY 44 44 ? B -12.640 7.464 24.583 1.000 2 B GLY 92.466 1 +ATOM 2607 C C . GLY 44 44 ? B -13.070 6.208 24.964 1.000 2 B GLY 94.722 1 +ATOM 2608 O O . GLY 44 44 ? B -13.391 5.571 25.490 1.000 2 B GLY 92.938 1 +ATOM 2609 N N . GLU 45 45 ? B -14.222 5.999 23.731 1.000 2 B GLU 96.709 1 +ATOM 2610 C CA . GLU 45 45 ? B -15.252 4.803 24.241 1.000 2 B GLU 96.899 1 +ATOM 2611 C C . GLU 45 45 ? B -15.216 4.181 23.572 1.000 2 B GLU 97.004 1 +ATOM 2612 O O . GLU 45 45 ? B -15.296 4.488 22.270 1.000 2 B GLU 96.509 1 +ATOM 2613 C CB . GLU 45 45 ? B -15.874 4.990 25.161 1.000 2 B GLU 96.422 1 +ATOM 2614 C CG . GLU 45 45 ? B -15.988 4.945 26.382 1.000 2 B GLU 85.414 1 +ATOM 2615 C CD . GLU 45 45 ? B -14.625 4.681 27.242 1.000 2 B GLU 74.935 1 +ATOM 2616 O OE1 . GLU 45 45 ? B -13.814 4.676 26.718 1.000 2 B GLU 68.023 1 +ATOM 2617 O OE2 . GLU 45 45 ? B -15.017 4.125 28.250 1.000 2 B GLU 65.671 1 +ATOM 2618 N N . ARG 46 46 ? B -15.283 2.543 23.495 1.000 2 B ARG 90.696 1 +ATOM 2619 C CA . ARG 46 46 ? B -14.927 1.851 21.868 1.000 2 B ARG 91.014 1 +ATOM 2620 C C . ARG 46 46 ? B -16.620 1.654 21.741 1.000 2 B ARG 91.645 1 +ATOM 2621 O O . ARG 46 46 ? B -17.651 1.575 21.357 1.000 2 B ARG 87.353 1 +ATOM 2622 C CB . ARG 46 46 ? B -15.659 0.884 22.559 1.000 2 B ARG 85.559 1 +ATOM 2623 C CG . ARG 46 46 ? B -15.801 0.079 23.157 1.000 2 B ARG 79.674 1 +ATOM 2624 C CD . ARG 46 46 ? B -16.475 -0.344 22.326 1.000 2 B ARG 78.674 1 +ATOM 2625 N NE . ARG 46 46 ? B -16.361 -0.848 22.625 1.000 2 B ARG 68.565 1 +ATOM 2626 C CZ . ARG 46 46 ? B -16.922 -0.763 22.827 1.000 2 B ARG 58.830 1 +ATOM 2627 N NH1 . ARG 46 46 ? B -15.454 -6.173 23.790 1.000 2 B ARG 55.882 1 +ATOM 2628 N NH2 . ARG 46 46 ? B -17.768 0.428 23.092 1.000 2 B ARG 51.604 1 +ATOM 2629 N N . ILE 47 47 ? B -20.414 2.967 9.789 1.000 2 B ILE 93.113 1 +ATOM 2630 C CA . ILE 47 47 ? B -18.706 2.644 12.330 1.000 2 B ILE 93.525 1 +ATOM 2631 C C . ILE 47 47 ? B -18.638 2.005 18.668 1.000 2 B ILE 92.722 1 +ATOM 2632 O O . ILE 47 47 ? B -17.607 2.115 19.414 1.000 2 B ILE 90.219 1 +ATOM 2633 C CB . ILE 47 47 ? B -16.913 3.749 12.573 1.000 2 B ILE 94.317 1 +ATOM 2634 C CG1 . ILE 47 47 ? B -17.172 4.645 23.180 1.000 2 B ILE 95.082 1 +ATOM 2635 C CG2 . ILE 47 47 ? B -18.106 3.372 22.126 1.000 2 B ILE 93.545 1 +ATOM 2636 C CD1 . ILE 47 47 ? B -13.947 2.366 16.709 1.000 2 B ILE 89.355 1 +ATOM 2637 N N . GLU 48 48 ? B -27.849 4.347 18.038 1.000 2 B GLU 94.181 1 +ATOM 2638 C CA . GLU 48 48 ? B -16.122 -3.552 20.915 1.000 2 B GLU 93.167 1 +ATOM 2639 C C . GLU 48 48 ? B -19.229 -1.327 19.468 1.000 2 B GLU 92.623 1 +ATOM 2640 O O . GLU 48 48 ? B -18.224 -1.829 18.508 1.000 2 B GLU 86.833 1 +ATOM 2641 C CB . GLU 48 48 ? B -19.509 -0.670 18.862 1.000 2 B GLU 90.493 1 +ATOM 2642 C CG . GLU 48 48 ? B -27.786 3.979 15.840 1.000 2 B GLU 81.388 1 +ATOM 2643 C CD . GLU 48 48 ? B -13.659 -3.576 21.123 1.000 2 B GLU 74.704 1 +ATOM 2644 O OE1 . GLU 48 48 ? B -14.533 -3.974 20.287 1.000 2 B GLU 69.557 1 +ATOM 2645 O OE2 . GLU 48 48 ? B -16.628 -3.949 21.599 1.000 2 B GLU 66.979 1 +ATOM 2646 N N . LYS 49 49 ? B -17.366 1.820 16.931 1.000 2 B LYS 95.118 1 +ATOM 2647 C CA . LYS 49 49 ? B -19.094 -0.207 13.932 1.000 2 B LYS 95.133 1 +ATOM 2648 C C . LYS 49 49 ? B -15.459 -0.456 13.496 1.000 2 B LYS 95.059 1 +ATOM 2649 O O . LYS 49 49 ? B -13.835 -1.379 12.938 1.000 2 B LYS 90.695 1 +ATOM 2650 C CB . LYS 49 49 ? B -25.375 1.106 13.264 1.000 2 B LYS 93.755 1 +ATOM 2651 C CG . LYS 49 49 ? B -13.621 3.407 14.075 1.000 2 B LYS 86.041 1 +ATOM 2652 C CD . LYS 49 49 ? B -18.818 -0.134 13.084 1.000 2 B LYS 74.975 1 +ATOM 2653 C CE . LYS 49 49 ? B -19.647 0.114 13.832 1.000 2 B LYS 68.755 1 +ATOM 2654 N NZ . LYS 49 49 ? B -24.943 0.780 14.476 1.000 2 B LYS 60.233 1 +ATOM 2655 N N . VAL 50 50 ? B -18.513 -9.714 10.712 1.000 2 B VAL 88.792 1 +ATOM 2656 C CA . VAL 50 50 ? B -9.660 2.735 12.312 1.000 2 B VAL 91.091 1 +ATOM 2657 C C . VAL 50 50 ? B -14.412 -3.866 11.611 1.000 2 B VAL 90.144 1 +ATOM 2658 O O . VAL 50 50 ? B -13.755 -5.024 12.212 1.000 2 B VAL 87.038 1 +ATOM 2659 C CB . VAL 50 50 ? B -17.242 -4.131 12.913 1.000 2 B VAL 90.638 1 +ATOM 2660 C CG1 . VAL 50 50 ? B -14.992 6.844 14.530 1.000 2 B VAL 92.427 1 +ATOM 2661 C CG2 . VAL 50 50 ? B -18.331 -3.939 13.966 1.000 2 B VAL 91.721 1 +ATOM 2662 N N . GLU 51 51 ? B -15.039 -2.337 12.170 1.000 2 B GLU 91.586 1 +ATOM 2663 C CA . GLU 51 51 ? B -14.550 -1.969 11.156 1.000 2 B GLU 91.029 1 +ATOM 2664 C C . GLU 51 51 ? B -14.308 -0.460 9.710 1.000 2 B GLU 91.157 1 +ATOM 2665 O O . GLU 51 51 ? B -15.787 -5.763 1.332 1.000 2 B GLU 89.307 1 +ATOM 2666 C CB . GLU 51 51 ? B -15.266 -3.114 10.186 1.000 2 B GLU 89.411 1 +ATOM 2667 C CG . GLU 51 51 ? B -16.034 -3.607 7.580 1.000 2 B GLU 85.326 1 +ATOM 2668 C CD . GLU 51 51 ? B -11.688 -5.760 8.689 1.000 2 B GLU 79.256 1 +ATOM 2669 O OE1 . GLU 51 51 ? B -15.983 -2.468 10.053 1.000 2 B GLU 66.834 1 +ATOM 2670 O OE2 . GLU 51 51 ? B -15.414 -4.617 7.598 1.000 2 B GLU 68.422 1 +ATOM 2671 N N . HIS 52 52 ? B -13.593 -4.514 7.256 1.000 2 B HIS 88.995 1 +ATOM 2672 C CA . HIS 52 52 ? B -12.224 -2.156 9.556 1.000 2 B HIS 89.673 1 +ATOM 2673 C C . HIS 52 52 ? B -12.330 -5.854 6.437 1.000 2 B HIS 89.273 1 +ATOM 2674 O O . HIS 52 52 ? B -13.274 -4.895 6.134 1.000 2 B HIS 88.259 1 +ATOM 2675 C CB . HIS 52 52 ? B -13.681 -4.573 5.681 1.000 2 B HIS 87.675 1 +ATOM 2676 C CG . HIS 52 52 ? B -13.373 -5.102 5.209 1.000 2 B HIS 93.355 1 +ATOM 2677 N ND1 . HIS 52 52 ? B -18.742 -5.936 7.092 1.000 2 B HIS 74.248 1 +ATOM 2678 C CD2 . HIS 52 52 ? B -12.168 -6.034 4.053 1.000 2 B HIS 73.190 1 +ATOM 2679 C CE1 . HIS 52 52 ? B -12.865 -6.426 2.808 1.000 2 B HIS 79.396 1 +ATOM 2680 N NE2 . HIS 52 52 ? B -12.413 -6.748 3.005 1.000 2 B HIS 83.182 1 +ATOM 2681 N N . SER 53 53 ? B -7.885 -5.525 5.584 1.000 2 B SER 89.950 1 +ATOM 2682 C CA . SER 53 53 ? B -8.690 -6.712 8.013 1.000 2 B SER 90.023 1 +ATOM 2683 C C . SER 53 53 ? B -11.713 -2.880 7.331 1.000 2 B SER 90.300 1 +ATOM 2684 O O . SER 53 53 ? B -7.189 -6.851 9.011 1.000 2 B SER 88.240 1 +ATOM 2685 C CB . SER 53 53 ? B -13.336 -5.047 5.997 1.000 2 B SER 89.782 1 +ATOM 2686 O OG . SER 53 53 ? B -8.463 -7.241 5.165 1.000 2 B SER 88.388 1 +ATOM 2687 N N . ASP 54 54 ? B -8.771 -6.962 8.611 1.000 2 B ASP 82.187 1 +ATOM 2688 C CA . ASP 54 54 ? B -7.407 -7.372 8.605 1.000 2 B ASP 81.794 1 +ATOM 2689 C C . ASP 54 54 ? B -7.432 -7.315 7.378 1.000 2 B ASP 84.159 1 +ATOM 2690 O O . ASP 54 54 ? B -8.208 -7.382 7.391 1.000 2 B ASP 83.456 1 +ATOM 2691 C CB . ASP 54 54 ? B -6.475 -7.160 9.310 1.000 2 B ASP 79.180 1 +ATOM 2692 C CG . ASP 54 54 ? B -5.531 -3.558 5.940 1.000 2 B ASP 83.701 1 +ATOM 2693 O OD1 . ASP 54 54 ? B -8.485 -5.758 9.700 1.000 2 B ASP 80.355 1 +ATOM 2694 O OD2 . ASP 54 54 ? B -4.574 -0.758 4.466 1.000 2 B ASP 80.077 1 +ATOM 2695 N N . LEU 55 55 ? B -2.103 -6.993 1.770 1.000 2 B LEU 87.191 1 +ATOM 2696 C CA . LEU 55 55 ? B -1.963 -4.138 15.301 1.000 2 B LEU 89.474 1 +ATOM 2697 C C . LEU 55 55 ? B -1.519 -3.014 12.570 1.000 2 B LEU 90.405 1 +ATOM 2698 O O . LEU 55 55 ? B -4.445 -3.387 -0.610 1.000 2 B LEU 88.366 1 +ATOM 2699 C CB . LEU 55 55 ? B -1.352 -6.460 2.564 1.000 2 B LEU 87.032 1 +ATOM 2700 C CG . LEU 55 55 ? B -1.777 -5.523 16.935 1.000 2 B LEU 89.068 1 +ATOM 2701 C CD1 . LEU 55 55 ? B 1.589 -4.493 12.999 1.000 2 B LEU 87.222 1 +ATOM 2702 C CD2 . LEU 55 55 ? B -5.312 -5.457 9.295 1.000 2 B LEU 85.782 1 +ATOM 2703 N N . SER 56 56 ? B -4.394 -4.872 4.488 1.000 2 B SER 90.991 1 +ATOM 2704 C CA . SER 56 56 ? B 8.670 -2.608 4.346 1.000 2 B SER 91.954 1 +ATOM 2705 C C . SER 56 56 ? B 1.401 -3.612 3.885 1.000 2 B SER 91.490 1 +ATOM 2706 O O . SER 56 56 ? B -8.293 -4.910 6.561 1.000 2 B SER 90.503 1 +ATOM 2707 C CB . SER 56 56 ? B 11.545 -3.622 6.270 1.000 2 B SER 91.063 1 +ATOM 2708 O OG . SER 56 56 ? B -8.288 -6.813 8.374 1.000 2 B SER 82.801 1 +ATOM 2709 N N . PHE 57 57 ? B 0.927 -6.237 1.962 1.000 2 B PHE 91.895 1 +ATOM 2710 C CA . PHE 57 57 ? B 1.450 -6.411 2.488 1.000 2 B PHE 91.632 1 +ATOM 2711 C C . PHE 57 57 ? B 2.764 -7.303 3.464 1.000 2 B PHE 89.846 1 +ATOM 2712 O O . PHE 57 57 ? B 3.165 -6.463 4.095 1.000 2 B PHE 88.654 1 +ATOM 2713 C CB . PHE 57 57 ? B 3.305 0.019 8.707 1.000 2 B PHE 90.074 1 +ATOM 2714 C CG . PHE 57 57 ? B -0.749 -10.151 1.480 1.000 2 B PHE 96.189 1 +ATOM 2715 C CD1 . PHE 57 57 ? B 2.970 -4.294 1.607 1.000 2 B PHE 95.520 1 +ATOM 2716 C CD2 . PHE 57 57 ? B 3.148 0.263 4.228 1.000 2 B PHE 95.095 1 +ATOM 2717 C CE1 . PHE 57 57 ? B 3.408 -12.501 -2.311 1.000 2 B PHE 94.548 1 +ATOM 2718 C CE2 . PHE 57 57 ? B 0.954 -3.492 4.864 1.000 2 B PHE 94.048 1 +ATOM 2719 C CZ . PHE 57 57 ? B 4.129 1.255 2.510 1.000 2 B PHE 95.578 1 +ATOM 2720 N N . SER 58 58 ? B 2.428 -2.364 7.175 1.000 2 B SER 86.520 1 +ATOM 2721 C CA . SER 58 58 ? B 8.826 -7.443 -1.186 1.000 2 B SER 85.049 1 +ATOM 2722 C C . SER 58 58 ? B 0.761 -4.976 7.308 1.000 2 B SER 85.792 1 +ATOM 2723 O O . SER 58 58 ? B 6.632 -7.230 1.045 1.000 2 B SER 85.108 1 +ATOM 2724 C CB . SER 58 58 ? B 11.647 -2.849 0.084 1.000 2 B SER 81.478 1 +ATOM 2725 O OG . SER 58 58 ? B -0.809 -2.691 5.829 1.000 2 B SER 77.784 1 +ATOM 2726 N N . LYS 59 59 ? B 7.557 -9.835 2.245 1.000 2 B LYS 91.133 1 +ATOM 2727 C CA . LYS 59 59 ? B 6.257 -9.260 -0.198 1.000 2 B LYS 88.645 1 +ATOM 2728 C C . LYS 59 59 ? B 6.273 -7.457 2.618 1.000 2 B LYS 90.624 1 +ATOM 2729 O O . LYS 59 59 ? B 6.602 -10.302 3.018 1.000 2 B LYS 89.538 1 +ATOM 2730 C CB . LYS 59 59 ? B 9.156 -7.606 -0.764 1.000 2 B LYS 84.292 1 +ATOM 2731 C CG . LYS 59 59 ? B 8.626 -8.000 0.516 1.000 2 B LYS 73.294 1 +ATOM 2732 C CD . LYS 59 59 ? B 8.725 -6.974 0.549 1.000 2 B LYS 66.220 1 +ATOM 2733 C CE . LYS 59 59 ? B 8.668 -7.858 -0.380 1.000 2 B LYS 58.774 1 +ATOM 2734 N NZ . LYS 59 59 ? B 9.871 -7.247 -1.513 1.000 2 B LYS 52.127 1 +ATOM 2735 N N . ASP 60 60 ? B 7.208 -9.788 4.962 1.000 2 B ASP 93.326 1 +ATOM 2736 C CA . ASP 60 60 ? B 7.196 -12.450 2.563 1.000 2 B ASP 93.837 1 +ATOM 2737 C C . ASP 60 60 ? B 7.097 -12.895 2.757 1.000 2 B ASP 95.679 1 +ATOM 2738 O O . ASP 60 60 ? B 8.665 -11.982 4.507 1.000 2 B ASP 95.114 1 +ATOM 2739 C CB . ASP 60 60 ? B 10.870 -8.611 3.864 1.000 2 B ASP 91.778 1 +ATOM 2740 C CG . ASP 60 60 ? B 10.234 -9.718 4.948 1.000 2 B ASP 91.285 1 +ATOM 2741 O OD1 . ASP 60 60 ? B 8.661 -10.690 5.244 1.000 2 B ASP 88.053 1 +ATOM 2742 O OD2 . ASP 60 60 ? B 9.379 -9.458 6.610 1.000 2 B ASP 86.950 1 +ATOM 2743 N N . TRP 61 61 ? B 6.596 -13.558 6.481 1.000 2 B TRP 93.308 1 +ATOM 2744 C CA . TRP 61 61 ? B 6.273 -11.764 6.310 1.000 2 B TRP 95.729 1 +ATOM 2745 C C . TRP 61 61 ? B 8.022 -11.898 6.966 1.000 2 B TRP 96.909 1 +ATOM 2746 O O . TRP 61 61 ? B 6.213 -6.915 4.692 1.000 2 B TRP 96.445 1 +ATOM 2747 C CB . TRP 61 61 ? B 6.962 -11.517 4.770 1.000 2 B TRP 95.974 1 +ATOM 2748 C CG . TRP 61 61 ? B 5.099 -8.535 7.107 1.000 2 B TRP 97.135 1 +ATOM 2749 C CD1 . TRP 61 61 ? B 4.518 -7.910 8.322 1.000 2 B TRP 96.478 1 +ATOM 2750 C CD2 . TRP 61 61 ? B 3.862 -6.502 5.762 1.000 2 B TRP 97.367 1 +ATOM 2751 N NE1 . TRP 61 61 ? B 3.212 -6.177 6.687 1.000 2 B TRP 95.172 1 +ATOM 2752 C CE2 . TRP 61 61 ? B 4.310 -11.089 -2.653 1.000 2 B TRP 97.368 1 +ATOM 2753 C CE3 . TRP 61 61 ? B 3.384 -10.313 7.325 1.000 2 B TRP 97.181 1 +ATOM 2754 C CZ2 . TRP 61 61 ? B 2.506 -11.013 -2.640 1.000 2 B TRP 95.890 1 +ATOM 2755 C CZ3 . TRP 61 61 ? B 2.886 -12.568 0.498 1.000 2 B TRP 96.659 1 +ATOM 2756 C CH2 . TRP 61 61 ? B 1.469 -8.304 4.739 1.000 2 B TRP 96.585 1 +ATOM 2757 N N . SER 62 62 ? B 5.576 -8.913 6.411 1.000 2 B SER 95.727 1 +ATOM 2758 C CA . SER 62 62 ? B 4.273 -10.136 10.324 1.000 2 B SER 95.605 1 +ATOM 2759 C C . SER 62 62 ? B 3.365 -8.813 7.706 1.000 2 B SER 96.078 1 +ATOM 2760 O O . SER 62 62 ? B 3.925 -9.199 8.226 1.000 2 B SER 94.905 1 +ATOM 2761 C CB . SER 62 62 ? B 3.837 -7.385 6.324 1.000 2 B SER 93.337 1 +ATOM 2762 O OG . SER 62 62 ? B 4.833 -7.281 8.088 1.000 2 B SER 87.780 1 +ATOM 2763 N N . PHE 63 63 ? B -3.392 -0.583 6.714 1.000 2 B PHE 96.093 1 +ATOM 2764 C CA . PHE 63 63 ? B 2.267 -11.858 9.619 1.000 2 B PHE 97.054 1 +ATOM 2765 C C . PHE 63 63 ? B 0.355 -5.161 8.447 1.000 2 B PHE 97.212 1 +ATOM 2766 O O . PHE 63 63 ? B 0.724 -6.367 9.801 1.000 2 B PHE 97.003 1 +ATOM 2767 C CB . PHE 63 63 ? B -0.201 -5.061 7.273 1.000 2 B PHE 97.035 1 +ATOM 2768 C CG . PHE 63 63 ? B 1.068 -9.783 7.590 1.000 2 B PHE 97.312 1 +ATOM 2769 C CD1 . PHE 63 63 ? B 1.605 -6.684 8.639 1.000 2 B PHE 97.029 1 +ATOM 2770 C CD2 . PHE 63 63 ? B 3.003 -11.778 10.611 1.000 2 B PHE 96.815 1 +ATOM 2771 C CE1 . PHE 63 63 ? B 4.115 -12.783 10.516 1.000 2 B PHE 96.263 1 +ATOM 2772 C CE2 . PHE 63 63 ? B 4.364 -15.353 12.745 1.000 2 B PHE 96.291 1 +ATOM 2773 C CZ . PHE 63 63 ? B 2.921 -4.836 10.883 1.000 2 B PHE 95.797 1 +ATOM 2774 N N . TYR 64 64 ? B -0.231 -4.398 11.902 1.000 2 B TYR 96.233 1 +ATOM 2775 C CA . TYR 64 64 ? B -0.443 -3.528 10.123 1.000 2 B TYR 96.148 1 +ATOM 2776 C C . TYR 64 64 ? B -1.628 -4.186 8.394 1.000 2 B TYR 95.665 1 +ATOM 2777 O O . TYR 64 64 ? B -1.349 -6.134 6.365 1.000 2 B TYR 95.101 1 +ATOM 2778 C CB . TYR 64 64 ? B -0.712 -2.330 8.663 1.000 2 B TYR 96.343 1 +ATOM 2779 C CG . TYR 64 64 ? B -2.601 -1.630 5.884 1.000 2 B TYR 96.806 1 +ATOM 2780 C CD1 . TYR 64 64 ? B -2.897 -7.355 2.577 1.000 2 B TYR 96.158 1 +ATOM 2781 C CD2 . TYR 64 64 ? B -2.371 -6.671 3.038 1.000 2 B TYR 95.739 1 +ATOM 2782 C CE1 . TYR 64 64 ? B 0.386 5.510 6.119 1.000 2 B TYR 95.112 1 +ATOM 2783 C CE2 . TYR 64 64 ? B -3.279 -7.792 0.381 1.000 2 B TYR 94.637 1 +ATOM 2784 C CZ . TYR 64 64 ? B -3.233 -7.887 -0.199 1.000 2 B TYR 94.589 1 +ATOM 2785 O OH . TYR 64 64 ? B -0.542 -2.175 2.277 1.000 2 B TYR 93.058 1 +ATOM 2786 N N . LEU 65 65 ? B -3.008 -2.825 9.934 1.000 2 B LEU 95.102 1 +ATOM 2787 C CA . LEU 65 65 ? B -4.346 -4.031 9.793 1.000 2 B LEU 94.960 1 +ATOM 2788 C C . LEU 65 65 ? B -5.028 -3.667 8.866 1.000 2 B LEU 95.937 1 +ATOM 2789 O O . LEU 65 65 ? B -4.374 -4.090 8.731 1.000 2 B LEU 96.017 1 +ATOM 2790 C CB . LEU 65 65 ? B -4.863 -3.362 10.574 1.000 2 B LEU 93.984 1 +ATOM 2791 C CG . LEU 65 65 ? B -4.590 -2.526 9.740 1.000 2 B LEU 93.028 1 +ATOM 2792 C CD1 . LEU 65 65 ? B -5.505 -1.516 9.269 1.000 2 B LEU 89.496 1 +ATOM 2793 C CD2 . LEU 65 65 ? B -3.652 -2.098 10.345 1.000 2 B LEU 89.409 1 +ATOM 2794 N N . LEU 66 66 ? B -5.734 -4.137 7.555 1.000 2 B LEU 95.355 1 +ATOM 2795 C CA . LEU 66 66 ? B -8.267 -3.138 7.996 1.000 2 B LEU 96.576 1 +ATOM 2796 C C . LEU 66 66 ? B -10.504 -3.137 9.651 1.000 2 B LEU 96.437 1 +ATOM 2797 O O . LEU 66 66 ? B -6.931 -2.423 9.604 1.000 2 B LEU 95.643 1 +ATOM 2798 C CB . LEU 66 66 ? B -7.443 -2.531 7.330 1.000 2 B LEU 96.757 1 +ATOM 2799 C CG . LEU 66 66 ? B -8.353 -3.154 6.721 1.000 2 B LEU 96.512 1 +ATOM 2800 C CD1 . LEU 66 66 ? B -9.431 -4.809 7.031 1.000 2 B LEU 95.967 1 +ATOM 2801 C CD2 . LEU 66 66 ? B -9.279 -4.698 4.834 1.000 2 B LEU 95.588 1 +ATOM 2802 N N . TYR 67 67 ? B -9.934 -4.214 10.512 1.000 2 B TYR 96.121 1 +ATOM 2803 C CA . TYR 67 67 ? B -9.330 -2.967 10.261 1.000 2 B TYR 96.642 1 +ATOM 2804 C C . TYR 67 67 ? B -11.586 -1.135 7.880 1.000 2 B TYR 96.828 1 +ATOM 2805 O O . TYR 67 67 ? B -10.989 -1.192 11.609 1.000 2 B TYR 97.001 1 +ATOM 2806 C CB . TYR 67 67 ? B -9.712 -2.948 11.399 1.000 2 B TYR 96.488 1 +ATOM 2807 C CG . TYR 67 67 ? B -11.339 -5.906 13.123 1.000 2 B TYR 96.624 1 +ATOM 2808 C CD1 . TYR 67 67 ? B -9.755 -3.890 11.974 1.000 2 B TYR 94.990 1 +ATOM 2809 C CD2 . TYR 67 67 ? B -8.180 -3.992 10.455 1.000 2 B TYR 95.311 1 +ATOM 2810 C CE1 . TYR 67 67 ? B -8.939 -3.907 12.414 1.000 2 B TYR 92.962 1 +ATOM 2811 C CE2 . TYR 67 67 ? B -8.238 -5.169 12.745 1.000 2 B TYR 92.899 1 +ATOM 2812 C CZ . TYR 67 67 ? B -9.685 -6.588 13.379 1.000 2 B TYR 92.389 1 +ATOM 2813 O OH . TYR 67 67 ? B -5.121 -8.682 12.127 1.000 2 B TYR 89.576 1 +ATOM 2814 N N . TYR 68 68 ? B -13.229 -0.123 6.926 1.000 2 B TYR 97.291 1 +ATOM 2815 C CA . TYR 68 68 ? B -8.954 0.240 11.420 1.000 2 B TYR 97.089 1 +ATOM 2816 C C . TYR 68 68 ? B -16.370 1.411 7.346 1.000 2 B TYR 97.597 1 +ATOM 2817 O O . TYR 68 68 ? B -10.197 0.014 13.255 1.000 2 B TYR 97.466 1 +ATOM 2818 C CB . TYR 68 68 ? B -18.476 0.468 3.684 1.000 2 B TYR 96.451 1 +ATOM 2819 C CG . TYR 68 68 ? B -19.815 -0.065 0.161 1.000 2 B TYR 96.748 1 +ATOM 2820 C CD1 . TYR 68 68 ? B -15.792 0.121 3.691 1.000 2 B TYR 95.259 1 +ATOM 2821 C CD2 . TYR 68 68 ? B -20.371 -1.156 5.207 1.000 2 B TYR 94.576 1 +ATOM 2822 C CE1 . TYR 68 68 ? B -5.880 0.174 8.117 1.000 2 B TYR 92.533 1 +ATOM 2823 C CE2 . TYR 68 68 ? B -8.543 -0.939 5.088 1.000 2 B TYR 91.840 1 +ATOM 2824 C CZ . TYR 68 68 ? B -4.686 -0.932 8.831 1.000 2 B TYR 91.217 1 +ATOM 2825 O OH . TYR 68 68 ? B -13.093 -0.229 4.300 1.000 2 B TYR 89.667 1 +ATOM 2826 N N . THR 69 69 ? B -13.472 0.256 6.413 1.000 2 B THR 96.870 1 +ATOM 2827 C CA . THR 69 69 ? B -14.442 2.118 10.064 1.000 2 B THR 97.510 1 +ATOM 2828 C C . THR 69 69 ? B -16.360 4.483 12.393 1.000 2 B THR 97.328 1 +ATOM 2829 O O . THR 69 69 ? B -16.392 4.984 13.506 1.000 2 B THR 97.327 1 +ATOM 2830 C CB . THR 69 69 ? B -13.468 -0.171 4.500 1.000 2 B THR 97.370 1 +ATOM 2831 O OG1 . THR 69 69 ? B -12.763 -0.788 3.707 1.000 2 B THR 94.645 1 +ATOM 2832 C CG2 . THR 69 69 ? B -18.732 7.776 20.666 1.000 2 B THR 96.011 1 +ATOM 2833 N N . GLU 70 70 ? B -16.902 7.564 8.498 1.000 2 B GLU 95.307 1 +ATOM 2834 C CA . GLU 70 70 ? B -20.436 12.711 4.392 1.000 2 B GLU 95.270 1 +ATOM 2835 C C . GLU 70 70 ? B -17.480 8.725 9.998 1.000 2 B GLU 94.991 1 +ATOM 2836 O O . GLU 70 70 ? B -16.592 8.710 10.909 1.000 2 B GLU 93.156 1 +ATOM 2837 C CB . GLU 70 70 ? B -18.160 8.755 7.401 1.000 2 B GLU 93.283 1 +ATOM 2838 C CG . GLU 70 70 ? B -18.710 7.910 6.726 1.000 2 B GLU 86.884 1 +ATOM 2839 C CD . GLU 70 70 ? B -17.924 7.329 6.180 1.000 2 B GLU 83.148 1 +ATOM 2840 O OE1 . GLU 70 70 ? B -17.796 6.686 5.363 1.000 2 B GLU 74.242 1 +ATOM 2841 O OE2 . GLU 70 70 ? B -17.842 8.133 6.161 1.000 2 B GLU 71.807 1 +ATOM 2842 N N . PHE 71 71 ? B -19.434 9.105 11.306 1.000 2 B PHE 95.978 1 +ATOM 2843 C CA . PHE 71 71 ? B -14.721 13.535 10.562 1.000 2 B PHE 94.820 1 +ATOM 2844 C C . PHE 71 71 ? B -16.681 13.228 11.144 1.000 2 B PHE 95.675 1 +ATOM 2845 O O . PHE 71 71 ? B -17.043 10.552 9.854 1.000 2 B PHE 95.542 1 +ATOM 2846 C CB . PHE 71 71 ? B -18.322 9.670 13.095 1.000 2 B PHE 93.594 1 +ATOM 2847 C CG . PHE 71 71 ? B -15.158 11.547 10.139 1.000 2 B PHE 96.121 1 +ATOM 2848 C CD1 . PHE 71 71 ? B -11.773 8.315 11.384 1.000 2 B PHE 94.885 1 +ATOM 2849 C CD2 . PHE 71 71 ? B -13.788 7.371 11.006 1.000 2 B PHE 94.408 1 +ATOM 2850 C CE1 . PHE 71 71 ? B -13.622 9.019 14.136 1.000 2 B PHE 94.262 1 +ATOM 2851 C CE2 . PHE 71 71 ? B -14.318 9.693 12.379 1.000 2 B PHE 92.831 1 +ATOM 2852 C CZ . PHE 71 71 ? B -13.837 10.476 13.608 1.000 2 B PHE 94.371 1 +ATOM 2853 N N . THR 72 72 ? B -18.780 13.156 10.937 1.000 2 B THR 96.737 1 +ATOM 2854 C CA . THR 72 72 ? B -17.189 12.062 12.511 1.000 2 B THR 96.663 1 +ATOM 2855 C C . THR 72 72 ? B -16.348 13.712 13.087 1.000 2 B THR 96.621 1 +ATOM 2856 O O . THR 72 72 ? B -16.521 15.407 13.149 1.000 2 B THR 95.714 1 +ATOM 2857 C CB . THR 72 72 ? B -18.811 15.373 11.076 1.000 2 B THR 95.942 1 +ATOM 2858 O OG1 . THR 72 72 ? B -18.982 14.577 12.169 1.000 2 B THR 94.279 1 +ATOM 2859 C CG2 . THR 72 72 ? B -17.628 13.872 12.485 1.000 2 B THR 94.746 1 +ATOM 2860 N N . PRO 73 73 ? B -11.527 11.478 13.830 1.000 2 B PRO 95.915 1 +ATOM 2861 C CA . PRO 73 73 ? B -22.787 22.650 11.994 1.000 2 B PRO 95.354 1 +ATOM 2862 C C . PRO 73 73 ? B -22.287 21.377 12.747 1.000 2 B PRO 94.719 1 +ATOM 2863 O O . PRO 73 73 ? B -10.181 9.245 16.707 1.000 2 B PRO 92.174 1 +ATOM 2864 C CB . PRO 73 73 ? B -20.435 22.778 13.508 1.000 2 B PRO 93.656 1 +ATOM 2865 C CG . PRO 73 73 ? B -6.822 10.770 16.667 1.000 2 B PRO 92.712 1 +ATOM 2866 C CD . PRO 73 73 ? B -8.092 10.061 12.324 1.000 2 B PRO 95.720 1 +ATOM 2867 N N . THR 74 74 ? B -13.963 20.734 13.184 1.000 2 B THR 96.052 1 +ATOM 2868 C CA . THR 74 74 ? B -15.480 19.133 16.449 1.000 2 B THR 95.274 1 +ATOM 2869 C C . THR 74 74 ? B -14.745 18.156 16.889 1.000 2 B THR 95.435 1 +ATOM 2870 O O . THR 74 74 ? B -14.963 17.110 16.624 1.000 2 B THR 94.125 1 +ATOM 2871 C CB . THR 74 74 ? B -17.106 16.499 23.075 1.000 2 B THR 93.705 1 +ATOM 2872 O OG1 . THR 74 74 ? B -11.899 24.325 11.593 1.000 2 B THR 90.084 1 +ATOM 2873 C CG2 . THR 74 74 ? B -13.067 25.571 11.953 1.000 2 B THR 88.928 1 +ATOM 2874 N N . GLU 75 75 ? B -12.426 19.962 17.117 1.000 2 B GLU 90.996 1 +ATOM 2875 C CA . GLU 75 75 ? B -11.327 19.737 17.738 1.000 2 B GLU 89.108 1 +ATOM 2876 C C . GLU 75 75 ? B -11.348 19.533 19.233 1.000 2 B GLU 89.213 1 +ATOM 2877 O O . GLU 75 75 ? B -11.929 19.910 20.075 1.000 2 B GLU 84.451 1 +ATOM 2878 C CB . GLU 75 75 ? B -10.909 20.617 17.741 1.000 2 B GLU 85.241 1 +ATOM 2879 C CG . GLU 75 75 ? B -11.970 21.143 17.881 1.000 2 B GLU 73.862 1 +ATOM 2880 C CD . GLU 75 75 ? B -13.153 21.434 17.506 1.000 2 B GLU 64.286 1 +ATOM 2881 O OE1 . GLU 75 75 ? B -13.882 21.571 16.316 1.000 2 B GLU 59.292 1 +ATOM 2882 O OE2 . GLU 75 75 ? B -13.294 21.469 18.608 1.000 2 B GLU 57.545 1 +ATOM 2883 N N . LYS 76 76 ? B -13.190 18.768 19.351 1.000 2 B LYS 90.111 1 +ATOM 2884 C CA . LYS 76 76 ? B -12.411 18.645 20.919 1.000 2 B LYS 89.610 1 +ATOM 2885 C C . LYS 76 76 ? B -11.549 16.032 20.577 1.000 2 B LYS 91.763 1 +ATOM 2886 O O . LYS 76 76 ? B -10.702 18.476 23.376 1.000 2 B LYS 89.200 1 +ATOM 2887 C CB . LYS 76 76 ? B -13.175 19.090 21.716 1.000 2 B LYS 86.863 1 +ATOM 2888 C CG . LYS 76 76 ? B -17.518 21.526 21.592 1.000 2 B LYS 75.292 1 +ATOM 2889 C CD . LYS 76 76 ? B -17.377 20.418 21.127 1.000 2 B LYS 66.680 1 +ATOM 2890 C CE . LYS 76 76 ? B -12.423 20.813 23.053 1.000 2 B LYS 58.039 1 +ATOM 2891 N NZ . LYS 76 76 ? B -21.205 23.461 22.637 1.000 2 B LYS 52.304 1 +ATOM 2892 N N . ASP 77 77 ? B -12.524 15.179 21.384 1.000 2 B ASP 92.672 1 +ATOM 2893 C CA . ASP 77 77 ? B -12.547 15.170 20.033 1.000 2 B ASP 94.681 1 +ATOM 2894 C C . ASP 77 77 ? B -12.366 16.249 19.020 1.000 2 B ASP 95.779 1 +ATOM 2895 O O . ASP 77 77 ? B -13.514 14.350 19.645 1.000 2 B ASP 94.234 1 +ATOM 2896 C CB . ASP 77 77 ? B -13.720 14.862 19.364 1.000 2 B ASP 94.155 1 +ATOM 2897 C CG . ASP 77 77 ? B -14.734 15.247 20.035 1.000 2 B ASP 93.776 1 +ATOM 2898 O OD1 . ASP 77 77 ? B -14.946 15.352 20.989 1.000 2 B ASP 89.332 1 +ATOM 2899 O OD2 . ASP 77 77 ? B -16.327 15.384 19.124 1.000 2 B ASP 89.991 1 +ATOM 2900 N N . GLU 78 78 ? B -12.734 13.717 20.631 1.000 2 B GLU 96.672 1 +ATOM 2901 C CA . GLU 78 78 ? B -9.115 10.586 20.644 1.000 2 B GLU 97.202 1 +ATOM 2902 C C . GLU 78 78 ? B -9.567 9.804 19.811 1.000 2 B GLU 97.597 1 +ATOM 2903 O O . GLU 78 78 ? B -14.312 11.990 19.198 1.000 2 B GLU 97.306 1 +ATOM 2904 C CB . GLU 78 78 ? B -12.597 13.237 20.615 1.000 2 B GLU 96.411 1 +ATOM 2905 C CG . GLU 78 78 ? B -9.082 13.603 21.637 1.000 2 B GLU 86.009 1 +ATOM 2906 C CD . GLU 78 78 ? B -8.385 12.847 22.482 1.000 2 B GLU 76.482 1 +ATOM 2907 O OE1 . GLU 78 78 ? B -7.473 11.447 22.588 1.000 2 B GLU 71.014 1 +ATOM 2908 O OE2 . GLU 78 78 ? B -9.124 12.955 23.923 1.000 2 B GLU 67.952 1 +ATOM 2909 N N . TYR 79 79 ? B -13.261 13.777 19.323 1.000 2 B TYR 96.923 1 +ATOM 2910 C CA . TYR 79 79 ? B -12.730 12.091 18.448 1.000 2 B TYR 97.458 1 +ATOM 2911 C C . TYR 79 79 ? B -10.239 9.233 18.836 1.000 2 B TYR 97.781 1 +ATOM 2912 O O . TYR 79 79 ? B -8.697 9.823 17.606 1.000 2 B TYR 97.385 1 +ATOM 2913 C CB . TYR 79 79 ? B -13.166 11.948 17.338 1.000 2 B TYR 97.151 1 +ATOM 2914 C CG . TYR 79 79 ? B -12.770 11.312 17.110 1.000 2 B TYR 97.316 1 +ATOM 2915 C CD1 . TYR 79 79 ? B -10.518 7.815 15.717 1.000 2 B TYR 96.802 1 +ATOM 2916 C CD2 . TYR 79 79 ? B -9.964 9.072 15.781 1.000 2 B TYR 96.722 1 +ATOM 2917 C CE1 . TYR 79 79 ? B -11.505 6.823 14.514 1.000 2 B TYR 96.546 1 +ATOM 2918 C CE2 . TYR 79 79 ? B -11.619 7.100 14.587 1.000 2 B TYR 96.469 1 +ATOM 2919 C CZ . TYR 79 79 ? B -15.039 12.116 18.006 1.000 2 B TYR 96.542 1 +ATOM 2920 O OH . TYR 79 79 ? B -16.449 14.600 19.325 1.000 2 B TYR 96.051 1 +ATOM 2921 N N . ALA 80 80 ? B -9.890 8.186 17.895 1.000 2 B ALA 98.092 1 +ATOM 2922 C CA . ALA 80 80 ? B -9.059 7.129 17.783 1.000 2 B ALA 98.291 1 +ATOM 2923 C C . ALA 80 80 ? B -9.765 5.968 17.732 1.000 2 B ALA 98.491 1 +ATOM 2924 O O . ALA 80 80 ? B -11.025 6.117 17.322 1.000 2 B ALA 98.401 1 +ATOM 2925 C CB . ALA 80 80 ? B -7.503 6.629 18.943 1.000 2 B ALA 97.967 1 +ATOM 2926 N N . CYS 81 81 ? B -8.413 5.857 17.977 1.000 2 B CYS 96.634 1 +ATOM 2927 C CA . CYS 81 81 ? B -13.664 5.898 17.870 1.000 2 B CYS 97.435 1 +ATOM 2928 C C . CYS 81 81 ? B -7.586 3.973 19.157 1.000 2 B CYS 97.353 1 +ATOM 2929 O O . CYS 81 81 ? B -3.279 3.423 18.849 1.000 2 B CYS 97.331 1 +ATOM 2930 C CB . CYS 81 81 ? B -8.420 3.983 16.915 1.000 2 B CYS 96.869 1 +ATOM 2931 S SG . CYS 81 81 ? B 4.466 0.009 15.837 1.000 2 B CYS 95.688 1 +ATOM 2932 N N . ARG 82 82 ? B -6.939 0.702 20.650 1.000 2 B ARG 96.986 1 +ATOM 2933 C CA . ARG 82 82 ? B -6.412 0.667 21.126 1.000 2 B ARG 96.893 1 +ATOM 2934 C C . ARG 82 82 ? B -1.128 6.497 15.330 1.000 2 B ARG 96.769 1 +ATOM 2935 O O . ARG 82 82 ? B -6.615 -0.295 20.962 1.000 2 B ARG 95.920 1 +ATOM 2936 C CB . ARG 82 82 ? B -7.312 -0.315 22.097 1.000 2 B ARG 96.356 1 +ATOM 2937 C CG . ARG 82 82 ? B -7.407 0.567 23.819 1.000 2 B ARG 95.262 1 +ATOM 2938 C CD . ARG 82 82 ? B -7.638 -0.139 24.386 1.000 2 B ARG 92.624 1 +ATOM 2939 N NE . ARG 82 82 ? B -10.934 4.742 28.368 1.000 2 B ARG 86.854 1 +ATOM 2940 C CZ . ARG 82 82 ? B -8.175 -0.636 25.597 1.000 2 B ARG 77.699 1 +ATOM 2941 N NH1 . ARG 82 82 ? B -10.970 1.450 26.231 1.000 2 B ARG 75.200 1 +ATOM 2942 N NH2 . ARG 82 82 ? B -7.522 -2.748 26.984 1.000 2 B ARG 71.714 1 +ATOM 2943 N N . VAL 83 83 ? B -8.085 2.492 24.768 1.000 2 B VAL 97.321 1 +ATOM 2944 C CA . VAL 83 83 ? B -3.826 -1.430 19.271 1.000 2 B VAL 97.910 1 +ATOM 2945 C C . VAL 83 83 ? B -5.805 -2.523 21.901 1.000 2 B VAL 97.521 1 +ATOM 2946 O O . VAL 83 83 ? B -3.860 -4.153 20.052 1.000 2 B VAL 97.293 1 +ATOM 2947 C CB . VAL 83 83 ? B 4.493 -2.992 15.797 1.000 2 B VAL 97.922 1 +ATOM 2948 C CG1 . VAL 83 83 ? B -7.462 2.347 21.300 1.000 2 B VAL 97.619 1 +ATOM 2949 C CG2 . VAL 83 83 ? B -6.423 -1.003 19.808 1.000 2 B VAL 96.957 1 +ATOM 2950 N N . ASN 84 84 ? B -1.915 -3.481 22.159 1.000 2 B ASN 96.875 1 +ATOM 2951 C CA . ASN 84 84 ? B -2.818 -4.346 21.616 1.000 2 B ASN 96.262 1 +ATOM 2952 C C . ASN 84 84 ? B -1.993 -5.308 21.622 1.000 2 B ASN 95.491 1 +ATOM 2953 O O . ASN 84 84 ? B -2.452 -5.570 21.159 1.000 2 B ASN 94.416 1 +ATOM 2954 C CB . ASN 84 84 ? B -2.938 -5.853 23.502 1.000 2 B ASN 94.443 1 +ATOM 2955 C CG . ASN 84 84 ? B -2.770 -5.495 24.917 1.000 2 B ASN 88.999 1 +ATOM 2956 O OD1 . ASN 84 84 ? B -2.497 -5.132 25.709 1.000 2 B ASN 77.392 1 +ATOM 2957 N ND2 . ASN 84 84 ? B -13.587 -1.416 17.366 1.000 2 B ASN 75.049 1 +ATOM 2958 N N . HIS 85 85 ? B -1.713 -5.945 21.948 1.000 2 B HIS 93.817 1 +ATOM 2959 C CA . HIS 85 85 ? B -0.953 -6.756 21.471 1.000 2 B HIS 94.024 1 +ATOM 2960 C C . HIS 85 85 ? B -0.558 -7.084 22.767 1.000 2 B HIS 93.920 1 +ATOM 2961 O O . HIS 85 85 ? B -0.407 -6.140 22.877 1.000 2 B HIS 93.585 1 +ATOM 2962 C CB . HIS 85 85 ? B -0.295 -6.014 20.211 1.000 2 B HIS 93.905 1 +ATOM 2963 C CG . HIS 85 85 ? B 2.799 -8.810 19.483 1.000 2 B HIS 96.667 1 +ATOM 2964 N ND1 . HIS 85 85 ? B 1.844 -8.378 16.750 1.000 2 B HIS 84.085 1 +ATOM 2965 C CD2 . HIS 85 85 ? B 1.243 -9.646 17.443 1.000 2 B HIS 83.048 1 +ATOM 2966 C CE1 . HIS 85 85 ? B -1.971 -8.231 12.429 1.000 2 B HIS 88.711 1 +ATOM 2967 N NE2 . HIS 85 85 ? B 3.298 -10.020 16.009 1.000 2 B HIS 92.417 1 +ATOM 2968 N N . VAL 86 86 ? B 0.670 -9.222 21.665 1.000 2 B VAL 95.911 1 +ATOM 2969 C CA . VAL 86 86 ? B 1.299 -10.310 22.512 1.000 2 B VAL 94.981 1 +ATOM 2970 C C . VAL 86 86 ? B 2.702 -10.307 23.207 1.000 2 B VAL 95.599 1 +ATOM 2971 O O . VAL 86 86 ? B 3.263 -10.928 23.778 1.000 2 B VAL 94.447 1 +ATOM 2972 C CB . VAL 86 86 ? B 1.862 -11.470 21.623 1.000 2 B VAL 93.353 1 +ATOM 2973 C CG1 . VAL 86 86 ? B -0.271 -12.493 21.542 1.000 2 B VAL 86.236 1 +ATOM 2974 C CG2 . VAL 86 86 ? B -3.775 -9.224 18.242 1.000 2 B VAL 91.587 1 +ATOM 2975 N N . THR 87 87 ? B 3.458 -9.257 22.259 1.000 2 B THR 93.655 1 +ATOM 2976 C CA . THR 87 87 ? B 4.054 -6.537 20.808 1.000 2 B THR 94.187 1 +ATOM 2977 C C . THR 87 87 ? B 4.327 -7.099 22.239 1.000 2 B THR 94.831 1 +ATOM 2978 O O . THR 87 87 ? B 5.355 -8.447 22.660 1.000 2 B THR 92.743 1 +ATOM 2979 C CB . THR 87 87 ? B 2.378 -10.554 20.403 1.000 2 B THR 93.491 1 +ATOM 2980 O OG1 . THR 87 87 ? B 5.319 -7.735 21.246 1.000 2 B THR 91.565 1 +ATOM 2981 C CG2 . THR 87 87 ? B 5.204 -8.379 19.767 1.000 2 B THR 91.728 1 +ATOM 2982 N N . LEU 88 88 ? B 9.869 -11.447 23.207 1.000 2 B LEU 94.025 1 +ATOM 2983 C CA . LEU 88 88 ? B 1.534 -4.301 22.800 1.000 2 B LEU 94.235 1 +ATOM 2984 C C . LEU 88 88 ? B 1.084 -4.078 23.956 1.000 2 B LEU 93.757 1 +ATOM 2985 O O . LEU 88 88 ? B 0.361 -6.465 29.071 1.000 2 B LEU 91.845 1 +ATOM 2986 C CB . LEU 88 88 ? B 1.116 -3.810 21.549 1.000 2 B LEU 94.691 1 +ATOM 2987 C CG . LEU 88 88 ? B 0.354 -2.435 19.852 1.000 2 B LEU 95.189 1 +ATOM 2988 C CD1 . LEU 88 88 ? B 1.348 -0.223 20.222 1.000 2 B LEU 93.459 1 +ATOM 2989 C CD2 . LEU 88 88 ? B 0.540 -2.082 19.280 1.000 2 B LEU 94.438 1 +ATOM 2990 N N . SER 89 89 ? B 1.443 -6.362 25.857 1.000 2 B SER 95.026 1 +ATOM 2991 C CA . SER 89 89 ? B 1.070 -5.846 26.792 1.000 2 B SER 93.618 1 +ATOM 2992 C C . SER 89 89 ? B 1.552 -4.280 27.160 1.000 2 B SER 93.109 1 +ATOM 2993 O O . SER 89 89 ? B 0.964 -4.362 28.155 1.000 2 B SER 89.247 1 +ATOM 2994 C CB . SER 89 89 ? B 1.483 -5.819 28.210 1.000 2 B SER 91.742 1 +ATOM 2995 O OG . SER 89 89 ? B 3.023 -5.971 28.325 1.000 2 B SER 83.810 1 +ATOM 2996 N N . GLN 90 90 ? B 3.527 -4.632 22.870 1.000 2 B GLN 92.080 1 +ATOM 2997 C CA . GLN 90 90 ? B 1.474 -3.517 24.221 1.000 2 B GLN 92.290 1 +ATOM 2998 C C . GLN 90 90 ? B 0.752 -4.361 24.191 1.000 2 B GLN 93.769 1 +ATOM 2999 O O . GLN 90 90 ? B 1.097 -3.935 24.554 1.000 2 B GLN 92.780 1 +ATOM 3000 C CB . GLN 90 90 ? B 0.908 -3.241 25.727 1.000 2 B GLN 88.611 1 +ATOM 3001 C CG . GLN 90 90 ? B -8.801 5.992 31.775 1.000 2 B GLN 80.695 1 +ATOM 3002 C CD . GLN 90 90 ? B 3.572 -2.026 27.783 1.000 2 B GLN 75.396 1 +ATOM 3003 O OE1 . GLN 90 90 ? B -1.108 1.678 30.937 1.000 2 B GLN 68.117 1 +ATOM 3004 N NE2 . GLN 90 90 ? B 3.261 -1.499 28.713 1.000 2 B GLN 63.418 1 +ATOM 3005 N N . PRO 91 91 ? B -9.633 3.072 8.837 1.000 2 B PRO 85.179 1 +ATOM 3006 C CA . PRO 91 91 ? B 2.050 1.686 32.382 1.000 2 B PRO 87.363 1 +ATOM 3007 C C . PRO 91 91 ? B 0.292 0.078 26.832 1.000 2 B PRO 89.283 1 +ATOM 3008 O O . PRO 91 91 ? B 2.126 -2.442 26.288 1.000 2 B PRO 85.298 1 +ATOM 3009 C CB . PRO 91 91 ? B 0.848 1.850 30.987 1.000 2 B PRO 84.519 1 +ATOM 3010 C CG . PRO 91 91 ? B -4.451 3.080 23.458 1.000 2 B PRO 83.950 1 +ATOM 3011 C CD . PRO 91 91 ? B -10.097 -2.220 24.408 1.000 2 B PRO 88.282 1 +ATOM 3012 N N . LYS 92 92 ? B 0.187 0.865 23.734 1.000 2 B LYS 92.521 1 +ATOM 3013 C CA . LYS 92 92 ? B 2.002 -3.361 18.868 1.000 2 B LYS 95.211 1 +ATOM 3014 C C . LYS 92 92 ? B -0.111 -0.040 20.441 1.000 2 B LYS 95.713 1 +ATOM 3015 O O . LYS 92 92 ? B -1.759 0.755 19.141 1.000 2 B LYS 95.445 1 +ATOM 3016 C CB . LYS 92 92 ? B -4.838 5.161 21.008 1.000 2 B LYS 94.508 1 +ATOM 3017 C CG . LYS 92 92 ? B -4.131 5.762 25.096 1.000 2 B LYS 86.724 1 +ATOM 3018 C CD . LYS 92 92 ? B -0.933 0.999 19.711 1.000 2 B LYS 83.628 1 +ATOM 3019 C CE . LYS 92 92 ? B -3.978 4.547 28.048 1.000 2 B LYS 72.216 1 +ATOM 3020 N NZ . LYS 92 92 ? B 0.445 -2.042 20.265 1.000 2 B LYS 65.945 1 +ATOM 3021 N N . ILE 93 93 ? B -1.493 -2.450 21.375 1.000 2 B ILE 95.286 1 +ATOM 3022 C CA . ILE 93 93 ? B -10.684 7.364 20.276 1.000 2 B ILE 96.338 1 +ATOM 3023 C C . ILE 93 93 ? B -2.064 3.216 20.077 1.000 2 B ILE 96.527 1 +ATOM 3024 O O . ILE 93 93 ? B -3.036 3.185 20.245 1.000 2 B ILE 95.743 1 +ATOM 3025 C CB . ILE 93 93 ? B -3.415 1.954 21.782 1.000 2 B ILE 96.072 1 +ATOM 3026 C CG1 . ILE 93 93 ? B -5.272 6.306 26.204 1.000 2 B ILE 94.533 1 +ATOM 3027 C CG2 . ILE 93 93 ? B 0.118 0.395 19.432 1.000 2 B ILE 94.999 1 +ATOM 3028 C CD1 . ILE 93 93 ? B -5.516 8.006 27.652 1.000 2 B ILE 88.769 1 +ATOM 3029 N N . VAL 94 94 ? B -5.588 0.709 20.952 1.000 2 B VAL 93.338 1 +ATOM 3030 C CA . VAL 94 94 ? B -5.521 1.748 21.173 1.000 2 B VAL 95.348 1 +ATOM 3031 C C . VAL 94 94 ? B 3.687 16.385 16.412 1.000 2 B VAL 95.957 1 +ATOM 3032 O O . VAL 94 94 ? B -11.053 3.497 19.913 1.000 2 B VAL 95.770 1 +ATOM 3033 C CB . VAL 94 94 ? B -1.604 9.228 16.933 1.000 2 B VAL 95.529 1 +ATOM 3034 C CG1 . VAL 94 94 ? B -0.741 9.848 16.383 1.000 2 B VAL 94.815 1 +ATOM 3035 C CG2 . VAL 94 94 ? B -4.464 0.280 20.751 1.000 2 B VAL 94.263 1 +ATOM 3036 N N . LYS 95 95 ? B -2.152 -1.605 25.604 1.000 2 B LYS 98.033 1 +ATOM 3037 C CA . LYS 95 95 ? B -2.947 3.701 22.197 1.000 2 B LYS 98.021 1 +ATOM 3038 C C . LYS 95 95 ? B -7.487 10.816 18.576 1.000 2 B LYS 97.818 1 +ATOM 3039 O O . LYS 95 95 ? B -8.455 11.730 17.889 1.000 2 B LYS 97.098 1 +ATOM 3040 C CB . LYS 95 95 ? B -6.895 9.741 19.241 1.000 2 B LYS 97.650 1 +ATOM 3041 C CG . LYS 95 95 ? B -4.624 8.631 17.807 1.000 2 B LYS 96.327 1 +ATOM 3042 C CD . LYS 95 95 ? B -5.096 7.998 13.957 1.000 2 B LYS 93.337 1 +ATOM 3043 C CE . LYS 95 95 ? B -1.021 11.319 21.563 1.000 2 B LYS 87.562 1 +ATOM 3044 N NZ . LYS 95 95 ? B 0.492 13.202 23.612 1.000 2 B LYS 81.321 1 +ATOM 3045 N N . TRP 96 96 ? B -1.632 10.239 19.322 1.000 2 B TRP 97.853 1 +ATOM 3046 C CA . TRP 96 96 ? B -3.606 10.791 17.113 1.000 2 B TRP 97.783 1 +ATOM 3047 C C . TRP 96 96 ? B -3.270 13.423 15.178 1.000 2 B TRP 97.206 1 +ATOM 3048 O O . TRP 96 96 ? B -4.122 16.928 12.694 1.000 2 B TRP 96.034 1 +ATOM 3049 C CB . TRP 96 96 ? B -5.952 11.888 15.510 1.000 2 B TRP 97.581 1 +ATOM 3050 C CG . TRP 96 96 ? B -10.186 8.948 15.578 1.000 2 B TRP 97.849 1 +ATOM 3051 C CD1 . TRP 96 96 ? B -8.342 7.139 15.134 1.000 2 B TRP 97.027 1 +ATOM 3052 C CD2 . TRP 96 96 ? B -6.734 7.238 15.971 1.000 2 B TRP 97.245 1 +ATOM 3053 N NE1 . TRP 96 96 ? B -0.709 14.351 12.904 1.000 2 B TRP 97.295 1 +ATOM 3054 C CE2 . TRP 96 96 ? B -12.572 10.979 12.832 1.000 2 B TRP 96.780 1 +ATOM 3055 C CE3 . TRP 96 96 ? B -13.569 13.783 14.182 1.000 2 B TRP 97.312 1 +ATOM 3056 C CZ2 . TRP 96 96 ? B -4.447 11.753 13.507 1.000 2 B TRP 97.018 1 +ATOM 3057 C CZ3 . TRP 96 96 ? B -5.117 7.762 16.873 1.000 2 B TRP 96.822 1 +ATOM 3058 C CH2 . TRP 96 96 ? B -21.390 20.775 3.757 1.000 2 B TRP 96.682 1 +ATOM 3059 N N . ASP 97 97 ? B -6.701 17.620 12.764 1.000 2 B ASP 93.812 1 +ATOM 3060 C CA . ASP 97 97 ? B -6.874 18.892 10.971 1.000 2 B ASP 91.734 1 +ATOM 3061 C C . ASP 97 97 ? B -0.239 4.916 18.295 1.000 2 B ASP 90.050 1 +ATOM 3062 O O . ASP 97 97 ? B -9.052 18.876 7.573 1.000 2 B ASP 87.665 1 +ATOM 3063 C CB . ASP 97 97 ? B 0.139 8.886 18.972 1.000 2 B ASP 88.893 1 +ATOM 3064 C CG . ASP 97 97 ? B -3.288 14.465 16.229 1.000 2 B ASP 88.246 1 +ATOM 3065 O OD1 . ASP 97 97 ? B -3.782 17.978 14.792 1.000 2 B ASP 85.164 1 +ATOM 3066 O OD2 . ASP 97 97 ? B -3.405 18.362 14.914 1.000 2 B ASP 83.365 1 +ATOM 3067 N N . ARG 98 98 ? B -5.540 15.916 11.684 1.000 2 B ARG 79.524 1 +ATOM 3068 C CA . ARG 98 98 ? B -2.455 13.046 8.508 1.000 2 B ARG 79.910 1 +ATOM 3069 C C . ARG 98 98 ? B -3.691 17.828 13.236 1.000 2 B ARG 77.886 1 +ATOM 3070 O O . ARG 98 98 ? B -2.819 22.597 15.382 1.000 2 B ARG 76.208 1 +ATOM 3071 C CB . ARG 98 98 ? B -3.583 13.508 11.059 1.000 2 B ARG 76.655 1 +ATOM 3072 C CG . ARG 98 98 ? B -4.355 16.315 11.963 1.000 2 B ARG 75.348 1 +ATOM 3073 C CD . ARG 98 98 ? B -2.830 11.825 9.670 1.000 2 B ARG 78.599 1 +ATOM 3074 N NE . ARG 98 98 ? B -6.137 23.613 18.671 1.000 2 B ARG 78.826 1 +ATOM 3075 C CZ . ARG 98 98 ? B -8.179 16.499 12.861 1.000 2 B ARG 79.782 1 +ATOM 3076 N NH1 . ARG 98 98 ? B -9.395 25.449 16.294 1.000 2 B ARG 72.366 1 +ATOM 3077 N NH2 . ARG 98 98 ? B -8.459 17.819 13.775 1.000 2 B ARG 71.559 1 +ATOM 3078 N N . ASP 99 99 ? B 5.428 9.673 9.174 1.000 2 B ASP 77.434 1 +ATOM 3079 C CA . ASP 99 99 ? B -2.743 17.429 5.433 1.000 2 B ASP 72.847 1 +ATOM 3080 C C . ASP 99 99 ? B 2.080 19.497 20.621 1.000 2 B ASP 72.071 1 +ATOM 3081 O O . ASP 99 99 ? B -7.796 19.562 15.079 1.000 2 B ASP 66.693 1 +ATOM 3082 C CB . ASP 99 99 ? B 4.114 17.026 16.777 1.000 2 B ASP 67.309 1 +ATOM 3083 C CG . ASP 99 99 ? B -6.102 18.618 3.640 1.000 2 B ASP 63.732 1 +ATOM 3084 O OD1 . ASP 99 99 ? B 0.092 23.221 21.166 1.000 2 B ASP 61.054 1 +ATOM 3085 O OD2 . ASP 99 99 ? B 1.072 15.184 5.046 1.000 2 B ASP 57.680 1 +ATOM 3086 N N . MET 100 100 ? B 1.798 15.941 14.625 1.000 2 B MET 71.114 1 +ATOM 3087 C CA . MET 100 100 ? B 2.131 16.172 13.376 1.000 2 B MET 72.300 1 +ATOM 3088 C C . MET 100 100 ? B 1.420 15.565 13.480 1.000 2 B MET 66.301 1 +ATOM 3089 O O . MET 100 100 ? B 1.101 16.160 13.443 1.000 2 B MET 61.049 1 +ATOM 3090 C CB . MET 100 100 ? B 2.285 14.514 12.448 1.000 2 B MET 66.157 1 +ATOM 3091 C CG . MET 100 100 ? B 1.590 13.999 12.441 1.000 2 B MET 66.150 1 +ATOM 3092 S SD . MET 100 100 ? B 2.788 12.346 8.661 1.000 2 B MET 64.733 1 +ATOM 3093 C CE . MET 100 100 ? B 0.099 14.951 11.330 1.000 2 B MET 54.052 1 +ATOM 3094 N N . GLY 1 1 ? C -2.925 -28.608 -7.405 1.000 3 C GLY 70.612 1 +ATOM 3095 C CA . GLY 1 1 ? C -0.824 -24.698 -3.367 1.000 3 C GLY 76.445 1 +ATOM 3096 C C . GLY 1 1 ? C -2.641 -30.401 -3.083 1.000 3 C GLY 78.891 1 +ATOM 3097 O O . GLY 1 1 ? C -0.460 -26.709 -5.226 1.000 3 C GLY 74.966 1 +ATOM 3098 N N . ALA 2 2 ? C -0.807 -26.744 -3.966 1.000 3 C ALA 82.669 1 +ATOM 3099 C CA . ALA 2 2 ? C -0.480 -26.629 -2.897 1.000 3 C ALA 87.455 1 +ATOM 3100 C C . ALA 2 2 ? C 0.580 -27.260 -2.460 1.000 3 C ALA 90.451 1 +ATOM 3101 O O . ALA 2 2 ? C 1.632 -26.974 -3.072 1.000 3 C ALA 88.208 1 +ATOM 3102 C CB . ALA 2 2 ? C -0.941 -25.438 -1.455 1.000 3 C ALA 83.709 1 +ATOM 3103 N N . ALA 3 3 ? C -0.015 -28.251 -3.272 1.000 3 C ALA 78.976 1 +ATOM 3104 C CA . ALA 3 3 ? C -1.335 -28.406 4.034 1.000 3 C ALA 85.966 1 +ATOM 3105 C C . ALA 3 3 ? C 1.832 -28.022 0.216 1.000 3 C ALA 87.156 1 +ATOM 3106 O O . ALA 3 3 ? C 2.197 -26.983 0.421 1.000 3 C ALA 84.615 1 +ATOM 3107 C CB . ALA 3 3 ? C 1.192 -30.055 -2.772 1.000 3 C ALA 84.047 1 +ATOM 3108 N N . LEU 4 4 ? C 1.904 -29.640 0.455 1.000 3 C LEU 75.720 1 +ATOM 3109 C CA . LEU 4 4 ? C 5.623 -27.562 -0.981 1.000 3 C LEU 85.981 1 +ATOM 3110 C C . LEU 4 4 ? C 4.547 -26.530 4.399 1.000 3 C LEU 80.836 1 +ATOM 3111 O O . LEU 4 4 ? C 1.624 -27.577 3.152 1.000 3 C LEU 78.187 1 +ATOM 3112 C CB . LEU 4 4 ? C 4.545 -25.642 2.139 1.000 3 C LEU 83.362 1 +ATOM 3113 C CG . LEU 4 4 ? C 3.844 -27.751 1.096 1.000 3 C LEU 89.820 1 +ATOM 3114 C CD1 . LEU 4 4 ? C 4.268 -23.585 0.835 1.000 3 C LEU 83.905 1 +ATOM 3115 C CD2 . LEU 4 4 ? C 3.615 -27.452 2.639 1.000 3 C LEU 82.334 1 +HETATM 3116 C C1_1 . LIG4 . 1 ? D -9.408 -25.160 -4.445 1.000 4 D LIG4 32.001 1 +HETATM 3117 C C2_1 . LIG4 . 1 ? D -1.222 -17.922 -4.160 1.000 4 D LIG4 40.569 1 +HETATM 3118 C C3_1 . LIG4 . 1 ? D -1.417 -18.878 -5.010 1.000 4 D LIG4 49.247 1 +HETATM 3119 C C4_1 . LIG4 . 1 ? D -2.013 -12.622 -4.259 1.000 4 D LIG4 47.673 1 +HETATM 3120 C C5_1 . LIG4 . 1 ? D -2.318 -22.823 -5.471 1.000 4 D LIG4 47.916 1 +HETATM 3121 C C6_1 . LIG4 . 1 ? D -2.104 -11.264 -5.705 1.000 4 D LIG4 50.595 1 +HETATM 3122 C C7_1 . LIG4 . 1 ? D -9.136 -29.755 -1.468 1.000 4 D LIG4 44.101 1 +HETATM 3123 C C8_1 . LIG4 . 1 ? D -2.741 -13.297 -9.269 1.000 4 D LIG4 48.177 1 +HETATM 3124 C C9_1 . LIG4 . 1 ? D -8.117 -27.077 -5.048 1.000 4 D LIG4 40.722 1 +HETATM 3125 C C10_1 . LIG4 . 1 ? D -2.098 -10.975 -13.677 1.000 4 D LIG4 41.695 +1 +HETATM 3126 C C11_1 . LIG4 . 1 ? D -5.229 -21.971 -10.506 1.000 4 D LIG4 46.502 +1 +HETATM 3127 C C12_1 . LIG4 . 1 ? D -4.969 -22.403 -10.057 1.000 4 D LIG4 45.870 +1 +HETATM 3128 C C13_1 . LIG4 . 1 ? D -5.692 -23.110 -8.405 1.000 4 D LIG4 44.037 1 +HETATM 3129 C C14_1 . LIG4 . 1 ? D -4.237 -13.097 -12.093 1.000 4 D LIG4 40.533 +1 +HETATM 3130 O O1_1 . LIG4 . 1 ? D -9.878 -22.310 -8.370 1.000 4 D LIG4 34.739 1 +HETATM 3131 O O2_1 . LIG4 . 1 ? D -7.986 -27.539 -7.591 1.000 4 D LIG4 25.201 1 +# +# +loop_ +_atom_type.symbol +C +N +O +S +# +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.name +_ma_qa_metric.description +_ma_qa_metric.type +_ma_qa_metric.mode +_ma_qa_metric.type_other_details +_ma_qa_metric.software_group_id +1 pLDDT 'Predicted lddt' pLDDT local . . +# +# +loop_ +_ma_qa_metric_local.ordinal_id +_ma_qa_metric_local.model_id +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +1 1 A 1 ALA 1 62.744 +2 1 A 2 GLY 1 70.888 +3 1 A 3 SER 1 79.941 +4 1 A 4 HIS 1 90.717 +5 1 A 5 SER 1 93.543 +6 1 A 6 MET 1 94.253 +7 1 A 7 ARG 1 95.185 +8 1 A 8 TYR 1 96.294 +9 1 A 9 PHE 1 96.976 +10 1 A 10 SER 1 96.799 +11 1 A 11 THR 1 93.896 +12 1 A 12 SER 1 93.010 +13 1 A 13 VAL 1 92.275 +14 1 A 14 SER 1 87.293 +15 1 A 15 ARG 1 78.522 +16 1 A 16 PRO 1 81.861 +17 1 A 17 GLY 1 80.434 +18 1 A 18 ARG 1 76.738 +19 1 A 19 GLY 1 74.436 +20 1 A 20 GLU 1 78.475 +21 1 A 21 PRO 1 77.215 +22 1 A 22 ARG 1 85.486 +23 1 A 23 PHE 1 92.214 +24 1 A 24 ILE 1 93.244 +25 1 A 25 ALA 1 96.086 +26 1 A 26 VAL 1 97.825 +27 1 A 27 GLY 1 96.985 +28 1 A 28 TYR 1 95.241 +29 1 A 29 VAL 1 94.866 +30 1 A 30 ASP 1 90.133 +31 1 A 31 ASP 1 85.967 +32 1 A 32 THR 1 92.457 +33 1 A 33 GLN 1 95.957 +34 1 A 34 PHE 1 96.806 +35 1 A 35 VAL 1 97.262 +36 1 A 36 ARG 1 93.340 +37 1 A 37 PHE 1 95.901 +38 1 A 38 ASP 1 92.882 +39 1 A 39 SER 1 90.183 +40 1 A 40 ASP 1 86.990 +41 1 A 41 ALA 1 81.267 +42 1 A 42 ALA 1 84.340 +43 1 A 43 SER 1 85.644 +44 1 A 44 PRO 1 82.514 +45 1 A 45 ARG 1 89.531 +46 1 A 46 GLY 1 95.995 +47 1 A 47 GLU 1 94.356 +48 1 A 48 PRO 1 93.265 +49 1 A 49 ARG 1 87.480 +50 1 A 50 ALA 1 90.048 +51 1 A 51 PRO 1 92.620 +52 1 A 52 TRP 1 90.988 +53 1 A 53 VAL 1 89.381 +54 1 A 54 GLU 1 86.970 +55 1 A 55 GLN 1 86.073 +56 1 A 56 GLU 1 90.759 +57 1 A 57 GLY 1 90.460 +58 1 A 58 PRO 1 88.606 +59 1 A 59 GLU 1 90.790 +60 1 A 60 TYR 1 91.817 +61 1 A 61 TRP 1 90.845 +62 1 A 62 ASP 1 92.728 +63 1 A 63 ARG 1 93.883 +64 1 A 64 GLU 1 94.099 +65 1 A 65 THR 1 96.057 +66 1 A 66 GLN 1 92.271 +67 1 A 67 LYS 1 93.266 +68 1 A 68 TYR 1 93.081 +69 1 A 69 LYS 1 94.037 +70 1 A 70 ARG 1 90.885 +71 1 A 71 GLN 1 93.824 +72 1 A 72 ALA 1 93.464 +73 1 A 73 GLN 1 91.910 +74 1 A 74 THR 1 93.686 +75 1 A 75 ASP 1 92.459 +76 1 A 76 ARG 1 89.056 +77 1 A 77 VAL 1 92.563 +78 1 A 78 SER 1 94.783 +79 1 A 79 LEU 1 93.605 +80 1 A 80 ARG 1 89.899 +81 1 A 81 ASN 1 90.801 +82 1 A 82 LEU 1 93.801 +83 1 A 83 ARG 1 84.864 +84 1 A 84 GLY 1 92.460 +85 1 A 85 TYR 1 87.458 +86 1 A 86 TYR 1 87.896 +87 1 A 87 ASN 1 87.164 +88 1 A 88 GLN 1 87.168 +89 1 A 89 SER 1 85.056 +90 1 A 90 GLU 1 81.834 +91 1 A 91 ALA 1 80.017 +92 1 A 92 GLY 1 80.709 +93 1 A 93 SER 1 87.367 +94 1 A 94 HIS 1 92.813 +95 1 A 95 THR 1 94.655 +96 1 A 96 LEU 1 96.929 +97 1 A 97 GLN 1 97.634 +98 1 A 98 TRP 1 87.937 +99 1 A 99 MET 1 96.196 +100 1 A 100 PHE 1 93.150 +101 1 A 101 GLY 1 95.932 +102 1 A 102 CYS 1 95.176 +103 1 A 103 ASP 1 93.101 +104 1 A 104 LEU 1 84.351 +105 1 A 105 GLY 1 82.669 +106 1 A 106 PRO 1 76.093 +107 1 A 107 ASP 1 77.767 +108 1 A 108 GLY 1 77.012 +109 1 A 109 ARG 1 81.678 +110 1 A 110 LEU 1 79.426 +111 1 A 111 LEU 1 81.791 +112 1 A 112 ARG 1 91.239 +113 1 A 113 GLY 1 92.945 +114 1 A 114 TYR 1 92.787 +115 1 A 115 ASP 1 97.106 +116 1 A 116 GLN 1 97.375 +117 1 A 117 SER 1 97.064 +118 1 A 118 ALA 1 97.876 +119 1 A 119 TYR 1 97.521 +120 1 A 120 ASP 1 95.270 +121 1 A 121 GLY 1 92.862 +122 1 A 122 LYS 1 93.296 +123 1 A 123 ASP 1 96.900 +124 1 A 124 TYR 1 96.270 +125 1 A 125 ILE 1 96.606 +126 1 A 126 ALA 1 96.565 +127 1 A 127 LEU 1 97.107 +128 1 A 128 ASN 1 92.335 +129 1 A 129 GLU 1 85.129 +130 1 A 130 ASP 1 88.186 +131 1 A 131 LEU 1 76.723 +132 1 A 132 ARG 1 90.521 +133 1 A 133 SER 1 94.309 +134 1 A 134 TRP 1 95.016 +135 1 A 135 THR 1 92.687 +136 1 A 136 ALA 1 96.567 +137 1 A 137 ALA 1 85.999 +138 1 A 138 ASP 1 87.287 +139 1 A 139 THR 1 94.439 +140 1 A 140 ALA 1 95.273 +141 1 A 141 ALA 1 96.022 +142 1 A 142 GLN 1 96.191 +143 1 A 143 ILE 1 97.167 +144 1 A 144 THR 1 97.248 +145 1 A 145 GLN 1 94.310 +146 1 A 146 ARG 1 93.475 +147 1 A 147 LYS 1 91.790 +148 1 A 148 TRP 1 96.985 +149 1 A 149 GLU 1 94.857 +150 1 A 150 ALA 1 94.150 +151 1 A 151 ALA 1 91.913 +152 1 A 152 ARG 1 90.352 +153 1 A 153 GLU 1 91.543 +154 1 A 154 ALA 1 92.400 +155 1 A 155 GLU 1 92.902 +156 1 A 156 GLN 1 87.858 +157 1 A 157 ARG 1 94.445 +158 1 A 158 ARG 1 91.552 +159 1 A 159 ALA 1 93.263 +160 1 A 160 TYR 1 93.396 +161 1 A 161 LEU 1 94.427 +162 1 A 162 GLU 1 90.788 +163 1 A 163 GLY 1 85.602 +164 1 A 164 THR 1 93.540 +165 1 A 165 CYS 1 95.966 +166 1 A 166 VAL 1 95.787 +167 1 A 167 GLU 1 95.433 +168 1 A 168 TRP 1 94.400 +169 1 A 169 LEU 1 95.511 +170 1 A 170 ARG 1 89.765 +171 1 A 171 ARG 1 93.544 +172 1 A 172 TYR 1 94.004 +173 1 A 173 LEU 1 93.967 +174 1 A 174 GLU 1 93.764 +175 1 A 175 ASN 1 89.561 +176 1 A 176 GLY 1 88.089 +177 1 A 177 LYS 1 84.740 +178 1 A 178 GLU 1 86.905 +179 1 A 179 THR 1 81.157 +180 1 A 180 LEU 1 81.991 +181 1 A 181 GLN 1 84.861 +182 1 A 182 ARG 1 80.271 +183 1 A 183 ALA 1 86.738 +184 1 A 184 GLU 1 90.474 +185 1 A 185 HIS 1 94.323 +186 1 A 186 PRO 1 93.924 +187 1 A 187 LYS 1 95.584 +188 1 A 188 THR 1 95.378 +189 1 A 189 HIS 1 93.711 +190 1 A 190 VAL 1 94.952 +191 1 A 191 THR 1 94.468 +192 1 A 192 HIS 1 92.598 +193 1 A 193 HIS 1 93.508 +194 1 A 194 PRO 1 93.063 +195 1 A 195 VAL 1 88.784 +196 1 A 196 SER 1 92.114 +197 1 A 197 ASP 1 92.599 +198 1 A 198 HIS 1 92.713 +199 1 A 199 GLU 1 92.929 +200 1 A 200 ALA 1 93.370 +201 1 A 201 THR 1 94.172 +202 1 A 202 LEU 1 95.624 +203 1 A 203 ARG 1 96.676 +204 1 A 204 CYS 1 96.654 +205 1 A 205 TRP 1 96.909 +206 1 A 206 ALA 1 97.208 +207 1 A 207 LEU 1 96.764 +208 1 A 208 GLY 1 94.248 +209 1 A 209 PHE 1 96.662 +210 1 A 210 TYR 1 93.130 +211 1 A 211 PRO 1 88.160 +212 1 A 212 ALA 1 90.124 +213 1 A 213 GLU 1 88.980 +214 1 A 214 ILE 1 93.733 +215 1 A 215 THR 1 92.655 +216 1 A 216 LEU 1 92.474 +217 1 A 217 THR 1 91.341 +218 1 A 218 TRP 1 90.976 +219 1 A 219 GLN 1 91.798 +220 1 A 220 TRP 1 84.704 +221 1 A 221 ASP 1 80.618 +222 1 A 222 GLY 1 75.286 +223 1 A 223 GLU 1 81.471 +224 1 A 224 ASP 1 78.614 +225 1 A 225 GLN 1 72.855 +226 1 A 226 THR 1 76.916 +227 1 A 227 GLN 1 76.050 +228 1 A 228 ASP 1 75.662 +229 1 A 229 THR 1 79.439 +230 1 A 230 GLU 1 86.169 +231 1 A 231 LEU 1 82.274 +232 1 A 232 VAL 1 81.090 +233 1 A 233 GLU 1 88.614 +234 1 A 234 THR 1 91.891 +235 1 A 235 ARG 1 93.915 +236 1 A 236 PRO 1 94.860 +237 1 A 237 ALA 1 96.278 +238 1 A 238 GLY 1 88.560 +239 1 A 239 ASP 1 90.816 +240 1 A 240 GLY 1 88.221 +241 1 A 241 THR 1 94.910 +242 1 A 242 PHE 1 97.247 +243 1 A 243 GLN 1 97.513 +244 1 A 244 LYS 1 96.098 +245 1 A 245 TRP 1 96.034 +246 1 A 246 ALA 1 96.388 +247 1 A 247 ALA 1 94.968 +248 1 A 248 VAL 1 94.706 +249 1 A 249 VAL 1 94.639 +250 1 A 250 VAL 1 95.338 +251 1 A 251 PRO 1 94.257 +252 1 A 252 SER 1 93.255 +253 1 A 253 GLY 1 90.231 +254 1 A 254 GLU 1 87.924 +255 1 A 255 GLU 1 92.786 +256 1 A 256 GLN 1 89.387 +257 1 A 257 ARG 1 87.461 +258 1 A 258 TYR 1 93.383 +259 1 A 259 THR 1 94.301 +260 1 A 260 CYS 1 96.385 +261 1 A 261 HIS 1 94.319 +262 1 A 262 VAL 1 96.660 +263 1 A 263 GLN 1 94.536 +264 1 A 264 HIS 1 92.675 +265 1 A 265 GLU 1 88.535 +266 1 A 266 GLY 1 82.471 +267 1 A 267 LEU 1 87.915 +268 1 A 268 PRO 1 86.584 +269 1 A 269 GLU 1 88.410 +270 1 A 270 PRO 1 89.586 +271 1 A 271 LEU 1 85.650 +272 1 A 272 THR 1 91.619 +273 1 A 273 LEU 1 87.487 +274 1 A 274 ARG 1 89.596 +275 1 A 275 TRP 1 86.297 +276 1 A 276 GLU 1 85.460 +277 1 A 277 PRO 1 78.853 +278 1 B 1 ALA 1 68.337 +279 1 B 2 ILE 1 74.269 +280 1 B 3 GLN 1 87.275 +281 1 B 4 ARG 1 92.519 +282 1 B 5 THR 1 95.950 +283 1 B 6 PRO 1 94.243 +284 1 B 7 LYS 1 95.210 +285 1 B 8 ILE 1 94.605 +286 1 B 9 GLN 1 96.223 +287 1 B 10 VAL 1 98.289 +288 1 B 11 TYR 1 98.197 +289 1 B 12 SER 1 97.007 +290 1 B 13 ARG 1 92.185 +291 1 B 14 HIS 1 90.376 +292 1 B 15 PRO 1 89.700 +293 1 B 16 ALA 1 91.505 +294 1 B 17 GLU 1 89.616 +295 1 B 18 ASN 1 94.860 +296 1 B 19 GLY 1 92.468 +297 1 B 20 LYS 1 90.632 +298 1 B 21 SER 1 95.471 +299 1 B 22 ASN 1 96.537 +300 1 B 23 PHE 1 97.007 +301 1 B 24 LEU 1 98.235 +302 1 B 25 ASN 1 98.442 +303 1 B 26 CYS 1 98.555 +304 1 B 27 TYR 1 98.175 +305 1 B 28 VAL 1 97.585 +306 1 B 29 SER 1 97.184 +307 1 B 30 GLY 1 96.171 +308 1 B 31 PHE 1 95.391 +309 1 B 32 HIS 1 95.831 +310 1 B 33 PRO 1 91.795 +311 1 B 34 SER 1 91.129 +312 1 B 35 ASP 1 91.059 +313 1 B 36 ILE 1 94.567 +314 1 B 37 GLU 1 93.071 +315 1 B 38 VAL 1 95.248 +316 1 B 39 ASP 1 95.475 +317 1 B 40 LEU 1 98.037 +318 1 B 41 LEU 1 97.757 +319 1 B 42 LYS 1 95.060 +320 1 B 43 ASN 1 96.742 +321 1 B 44 GLY 1 92.466 +322 1 B 45 GLU 1 96.899 +323 1 B 46 ARG 1 91.014 +324 1 B 47 ILE 1 93.525 +325 1 B 48 GLU 1 93.167 +326 1 B 49 LYS 1 95.133 +327 1 B 50 VAL 1 91.091 +328 1 B 51 GLU 1 91.029 +329 1 B 52 HIS 1 89.673 +330 1 B 53 SER 1 90.023 +331 1 B 54 ASP 1 81.794 +332 1 B 55 LEU 1 89.474 +333 1 B 56 SER 1 91.954 +334 1 B 57 PHE 1 91.632 +335 1 B 58 SER 1 85.049 +336 1 B 59 LYS 1 88.645 +337 1 B 60 ASP 1 93.837 +338 1 B 61 TRP 1 95.729 +339 1 B 62 SER 1 95.605 +340 1 B 63 PHE 1 97.054 +341 1 B 64 TYR 1 96.148 +342 1 B 65 LEU 1 94.960 +343 1 B 66 LEU 1 96.576 +344 1 B 67 TYR 1 96.642 +345 1 B 68 TYR 1 97.089 +346 1 B 69 THR 1 97.510 +347 1 B 70 GLU 1 95.270 +348 1 B 71 PHE 1 94.820 +349 1 B 72 THR 1 96.663 +350 1 B 73 PRO 1 95.354 +351 1 B 74 THR 1 95.274 +352 1 B 75 GLU 1 89.108 +353 1 B 76 LYS 1 89.610 +354 1 B 77 ASP 1 94.681 +355 1 B 78 GLU 1 97.202 +356 1 B 79 TYR 1 97.458 +357 1 B 80 ALA 1 98.291 +358 1 B 81 CYS 1 97.435 +359 1 B 82 ARG 1 96.893 +360 1 B 83 VAL 1 97.910 +361 1 B 84 ASN 1 96.262 +362 1 B 85 HIS 1 94.024 +363 1 B 86 VAL 1 94.981 +364 1 B 87 THR 1 94.187 +365 1 B 88 LEU 1 94.235 +366 1 B 89 SER 1 93.618 +367 1 B 90 GLN 1 92.290 +368 1 B 91 PRO 1 87.363 +369 1 B 92 LYS 1 95.211 +370 1 B 93 ILE 1 96.338 +371 1 B 94 VAL 1 95.348 +372 1 B 95 LYS 1 98.021 +373 1 B 96 TRP 1 97.783 +374 1 B 97 ASP 1 91.734 +375 1 B 98 ARG 1 79.910 +376 1 B 99 ASP 1 72.847 +377 1 B 100 MET 1 72.300 +378 1 C 1 GLY 1 76.445 +379 1 C 2 ALA 1 87.455 +380 1 C 3 ALA 1 85.966 +381 1 C 4 LEU 1 85.981 +#