ATOM 1006 CA THR 6 25.224 3.964 6.310 1 THR ATOM 1007 CA LEU 7 22.244 6.246 5.700 2 VAL ATOM 1008 CA ALA 8 21.933 6.385 9.495 3 ASP ATOM 1009 CA GLU 9 25.559 7.581 9.768 4 GLY ATOM 1010 CA SER 10 25.256 10.137 6.957 5 LEU ATOM 1011 CA ILE 11 22.142 11.727 8.571 6 ALA ATOM 1012 CA ARG 12 23.985 12.159 11.884 7 THR ATOM 1013 CA ARG 13 26.956 13.797 10.101 8 ALA ATOM 1014 CA LEU 14 24.730 16.130 8.041 9 VAL ATOM 1015 CA ARG 15 22.600 17.476 10.949 10 ARG ATOM 1016 CA GLN 16 25.723 17.652 13.159 11 GLY ATOM 1017 CA GLY 17 27.130 19.982 10.505 12 GLY ATOM 1018 CA GLU 18 29.942 17.959 8.898 13 ASP ATOM 1019 CA ARG 19 31.079 19.897 5.794 14 ARG ATOM 1020 CA ALA 20 32.337 16.714 4.040 15 ALA ATOM 1021 CA THR 21 29.085 14.757 4.529 16 ALA ATOM 1022 CA LEU 22 26.900 17.411 2.856 17 LEU ATOM 1023 CA ALA 23 28.380 17.198 -0.701 18 PRO ATOM 1024 CA GLN 24 28.324 13.366 -0.489 19 ARG ATOM 1025 CA ALA 25 24.666 13.522 0.593 20 ALA ATOM 1026 CA MET 26 23.866 15.800 -2.369 21 ILE ATOM 1027 CA THR 27 25.737 13.391 -4.692 22 THR ATOM 1028 CA LEU 28 23.533 10.520 -3.418 23 LEU ATOM 1029 CA VAL 29 20.429 12.653 -4.001 24 VAL ATOM 1030 CA GLU 30 21.548 13.656 -7.522 25 GLU ATOM 1031 CA SER 31 22.034 9.978 -8.507 26 SER ATOM 1032 CA ARG 32 19.248 8.399 -10.584 27 THR ATOM 1033 CA HIS 33 20.577 4.858 -10.104 28 ARG ATOM 1034 CA PRO 34 17.657 2.846 -8.563 29 PRO ATOM 1035 CA ARG 35 19.844 1.656 -5.650 30 ASP ATOM 1036 CA HIS 36 20.861 5.247 -4.766 31 HIS ATOM 1037 CA GLN 37 17.310 6.626 -5.087 32 ARG ATOM 1038 CA ALA 38 16.176 4.204 -2.352 33 GLU ATOM 1039 CA LEU 39 18.817 5.189 0.215 34 GLN ATOM 1040 CA SER 40 18.391 8.856 -0.743 35 ALA ATOM 1041 CA THR 41 14.713 8.473 0.168 36 GLN ATOM 1042 CA GLN 42 15.606 6.930 3.540 37 GLN ATOM 1043 CA LEU 43 18.169 9.682 4.239 38 LEU ATOM 1044 CA LEU 44 15.633 12.427 3.399 39 LEU ATOM 1045 CA ASP 45 13.103 10.687 5.643 40 LEU ATOM 1046 CA ALA 46 15.558 10.910 8.541 41 ARG ATOM 1047 CA ILE 47 16.418 14.566 7.874 42 LEU ATOM 1048 CA MET 48 12.928 15.860 7.077 43 LEU ATOM 1049 CA PRO 49 12.295 16.694 10.781 44 PRO ATOM 1050 CA TYR 50 15.472 18.834 10.842 45 ASP ATOM 1051 CA CYS 51 14.408 20.837 7.747 46 SER ATOM 1052 CA GLY 52 12.098 23.812 7.143 47 GLY ATOM 1053 CA ASN 53 13.883 26.353 9.337 48 ASN ATOM 1054 CA THR 54 14.885 28.616 6.495 49 ALA ATOM 1055 CA LEU 55 13.525 31.154 4.006 50 HIS ATOM 1056 CA ARG 56 13.559 29.862 0.398 51 ARG ATOM 1057 CA LEU 57 13.794 32.619 -2.209 52 VAL ATOM 1058 CA GLY 58 13.620 32.141 -5.996 53 GLY ATOM 1059 CA VAL 59 15.255 34.663 -8.343 54 ILE ATOM 1060 CA THR 60 14.595 34.927 -12.031 55 THR ATOM 1061 CA GLY 61 15.021 37.328 -14.987 56 GLY ATOM 1062 CA THR 62 16.541 37.446 -18.512 57 VAL ATOM 1063 CA PRO 63 20.211 36.638 -19.267 58 PRO ATOM 1064 CA GLY 64 22.239 39.764 -18.462 59 GLY ATOM 1065 CA ALA 65 19.628 41.457 -16.229 60 VAL ATOM 1066 CA GLY 66 22.072 41.009 -13.305 61 GLY ATOM 1067 CA LYS 67 20.904 37.925 -11.344 62 LYS ATOM 1068 CA SER 68 24.406 36.627 -10.493 63 SER ATOM 1069 CA THR 69 25.614 40.091 -9.482 64 THR ATOM 1070 CA PHE 70 22.544 40.603 -7.245 65 ALA ATOM 1071 CA LEU 71 22.827 37.127 -5.642 66 ILE ATOM 1072 CA GLU 72 26.503 37.677 -4.827 67 GLU ATOM 1073 CA ALA 73 25.771 41.058 -3.215 68 ALA ATOM 1074 CA PHE 74 22.671 39.707 -1.383 69 LEU ATOM 1075 CA GLY 75 24.595 36.637 -0.174 70 GLY ATOM 1076 CA MET 76 27.267 38.892 1.391 71 MET ATOM 1077 CA LEU 77 24.599 41.226 2.954 72 HIS ATOM 1078 CA LEU 78 23.133 38.104 4.614 73 LEU ATOM 1079 CA ILE 79 26.360 36.463 5.701 74 ILE ATOM 1080 CA ARG 80 27.351 39.717 7.412 75 GLU ATOM 1081 CA GLU 81 24.027 39.519 9.333 76 ARG ATOM 1082 CA GLY 82 24.752 36.002 10.721 77 GLY ATOM 1083 CA LEU 83 22.904 33.882 8.133 78 HIS ATOM 1084 CA LYS 84 24.218 30.718 6.455 79 ARG ATOM 1085 CA VAL 85 23.360 31.023 2.773 80 VAL ATOM 1086 CA ALA 86 23.055 28.423 0.036 81 ALA ATOM 1087 CA VAL 87 22.773 29.155 -3.689 82 VAL ATOM 1088 CA ILE 88 21.276 26.649 -6.139 83 LEU ATOM 1089 CA ALA 89 20.586 26.947 -9.849 84 ALA ATOM 1090 CA VAL 90 17.805 25.263 -11.865 85 VAL ATOM 1091 CA ASP 91 18.779 25.200 -15.534 86 ASP ATOM 1092 CA PRO 92 29.957 34.537 -7.543 87 MET ATOM 1093 CA SER 93 33.612 34.413 -6.428 88 ALA ATOM 1094 CA SER 94 33.481 36.736 -3.386 89 ARG ATOM 1095 CA PRO 95 30.623 34.590 -2.036 90 LEU ATOM 1096 CA VAL 96 32.104 31.107 -2.741 91 ALA ATOM 1113 CA ARG 113 35.125 32.010 -0.557 92 VAL ATOM 1114 CA ALA 114 33.060 32.253 2.614 93 HIS ATOM 1115 CA GLU 115 32.590 29.266 5.017 94 PRO ATOM 1116 CA ALA 116 28.950 30.296 5.759 95 ASN ATOM 1117 CA ALA 117 28.003 30.114 2.048 96 ALA ATOM 1118 CA PHE 118 27.440 27.051 -0.120 97 TYR ATOM 1119 CA ILE 119 27.159 27.348 -3.901 98 ILE ATOM 1120 CA ARG 120 26.117 24.451 -6.188 99 ARG ATOM 1121 CA PRO 121 25.819 24.280 -10.022 100 PRO ATOM 1122 CA VAL 122 22.636 22.962 -11.672 101 SER ATOM 1123 CA PRO 123 22.368 19.128 -11.843 102 PRO ATOM 1126 CA GLY 126 18.751 15.739 -17.219 103 GLY ATOM 1127 CA HIS 127 15.097 16.737 -17.713 104 THR ATOM 1128 CA LEU 128 13.220 19.528 -15.868 105 LEU ATOM 1129 CA GLY 129 11.395 16.924 -13.726 106 GLY ATOM 1130 CA GLY 130 14.813 15.514 -12.873 107 GLY ATOM 1131 CA ALA 131 16.565 18.791 -12.042 108 VAL ATOM 1132 CA SER 132 13.429 19.870 -10.096 109 THR ATOM 1133 CA GLN 133 13.458 16.652 -8.049 110 ARG ATOM 1134 CA ARG 134 17.197 16.879 -7.309 111 ALA ATOM 1135 CA ALA 135 16.930 20.555 -6.311 112 THR ATOM 1136 CA ARG 136 13.913 19.981 -4.011 113 ARG ATOM 1137 CA GLU 137 15.695 17.115 -2.249 114 GLU ATOM 1138 CA LEU 138 18.939 19.134 -1.950 115 THR ATOM 1139 CA MET 139 16.947 21.906 -0.181 116 VAL ATOM 1140 CA LEU 140 15.927 19.427 2.515 117 VAL ATOM 1141 CA LEU 141 19.621 18.489 3.004 118 LEU ATOM 1142 CA CYS 142 20.838 22.107 3.183 119 LEU ATOM 1143 CA GLU 143 18.218 23.064 5.778 120 GLU ATOM 1144 CA ALA 144 19.084 20.009 7.854 121 ALA ATOM 1145 CA ALA 145 22.763 21.087 7.578 122 ALA ATOM 1146 CA GLY 146 21.875 24.441 9.208 123 GLY ATOM 1147 CA TYR 147 21.461 26.740 6.175 124 PHE ATOM 1148 CA ASP 148 18.751 29.297 6.947 125 ASP ATOM 1149 CA VAL 149 18.522 31.076 3.573 126 VAL ATOM 1150 CA VAL 150 18.206 29.224 0.304 127 ILE ATOM 1151 CA ILE 151 18.456 31.226 -2.938 128 LEU ATOM 1152 CA VAL 152 17.359 29.381 -6.060 129 ILE ATOM 1153 CA GLU 153 18.244 30.988 -9.414 130 GLU ATOM 1154 CA THR 154 16.522 30.074 -12.690 131 THR ATOM 1155 CA VAL 155 18.501 30.006 -15.901 132 VAL ATOM 1156 CA GLY 156 15.723 31.952 -17.549 133 GLY ATOM 1157 CA VAL 157 13.331 29.709 -19.426 134 VAL ATOM 1158 CA GLY 158 11.861 26.238 -19.564 135 GLY ATOM 1159 CA GLN 159 8.782 25.778 -17.505 136 GLN ATOM 1160 CA SER 160 11.706 26.477 -15.155 137 SER ATOM 1161 CA GLU 161 10.156 29.624 -13.618 138 GLU ATOM 1162 CA THR 162 7.022 27.746 -12.521 139 VAL ATOM 1163 CA GLU 163 9.124 24.891 -11.125 140 ALA ATOM 1164 CA VAL 164 11.211 27.245 -8.984 141 VAL ATOM 1165 CA ALA 165 8.135 29.327 -7.869 142 ALA ATOM 1166 CA ARG 166 6.527 26.075 -6.646 143 ASN ATOM 1167 CA MET 167 9.501 25.225 -4.386 144 MET ATOM 1168 CA VAL 168 10.131 28.607 -2.736 145 VAL ATOM 1169 CA ASP 169 8.416 30.908 -0.202 146 ASP ATOM 1170 CA CYS 170 9.145 34.196 -2.057 147 THR ATOM 1171 CA PHE 171 9.684 34.485 -5.814 148 PHE ATOM 1172 CA ILE 172 11.602 37.569 -7.019 149 VAL ATOM 1173 CA SER 173 11.552 38.799 -10.618 150 LEU ATOM 1174 CA LEU 174 14.357 41.104 -11.803 151 LEU ATOM 1175 CA GLN 175 13.524 43.353 -14.789 152 THR ATOM 1176 CA ILE 176 15.253 46.197 -16.673 153 LEU ATOM 1177 CA ALA 177 15.063 49.823 -15.425 154 ALA ATOM 1178 CA GLY 178 13.842 51.233 -18.790 155 ARG ATOM 1179 CA GLY 179 10.424 52.890 -19.268 156 THR ATOM 1180 CA GLY 180 8.349 50.745 -21.611 157 GLY ATOM 1181 CA ASP 181 10.930 47.931 -21.863 158 ASP ATOM 1182 CA ASP 182 11.160 46.394 -18.366 159 GLN ATOM 1183 CA LEU 183 9.839 42.964 -19.391 160 LEU ATOM 1184 CA GLN 184 11.801 42.479 -22.645 161 GLN ATOM 1185 CA GLY 185 12.534 38.775 -23.172 162 GLY ATOM 1186 CA ILE 186 10.401 37.478 -20.288 163 ILE ATOM 1187 CA LYS 187 7.974 34.592 -20.986 164 LYS ATOM 1188 CA LYS 188 4.510 36.016 -20.661 165 LYS ATOM 1189 CA GLY 189 2.730 34.917 -17.469 166 GLY ATOM 1190 CA LEU 190 6.009 35.165 -15.465 167 VAL ATOM 1191 CA MET 191 5.044 38.599 -14.044 168 LEU ATOM 1192 CA GLU 192 2.142 36.949 -12.188 169 GLU ATOM 1193 CA VAL 193 4.498 34.498 -10.416 170 LEU ATOM 1194 CA ALA 194 6.354 37.272 -8.667 171 ALA ATOM 1195 CA ASP 195 5.984 38.097 -4.999 172 ASP ATOM 1196 CA LEU 196 8.366 41.049 -5.443 173 ILE ATOM 1197 CA ILE 197 9.484 42.765 -8.648 174 VAL ATOM 1198 CA VAL 198 12.800 44.594 -8.880 175 VAL ATOM 1199 CA ILE 199 13.942 47.038 -11.592 176 VAL ATOM 1200 CA ASN 200 17.732 46.520 -11.774 177 ASN ATOM 1201 CA LYS 201 20.500 48.790 -13.229 178 LYS ATOM 1202 CA ASP 202 18.953 51.906 -11.750 179 ALA ATOM 1203 CA ASP 203 22.304 53.703 -12.349 180 ASP ATOM 1204 CA GLY 204 24.391 55.922 -14.673 181 GLY ATOM 1205 CA ASP 205 22.009 57.732 -17.034 182 GLU ATOM 1206 CA ASN 206 18.903 55.921 -15.712 183 HIS ATOM 1207 CA HIS 207 18.291 57.155 -12.112 184 HIS ATOM 1208 CA THR 208 15.110 59.127 -12.907 185 LYS ATOM 1209 CA ASN 209 14.146 56.670 -15.649 186 GLU ATOM 1210 CA VAL 210 14.270 53.813 -13.091 187 ALA ATOM 1211 CA ALA 211 11.727 55.562 -10.851 188 ARG ATOM 1212 CA ILE 212 9.366 56.043 -13.806 189 LEU ATOM 1213 CA ALA 213 9.898 52.419 -14.956 190 ALA ATOM 1214 CA ARG 214 9.124 51.232 -11.383 191 ALA ATOM 1215 CA HIS 215 5.950 53.386 -11.335 192 ARG ATOM 1216 CA MET 216 4.793 51.868 -14.657 193 GLU ATOM 1217 CA TYR 217 5.195 48.289 -13.359 194 LEU ATOM 1218 CA GLU 218 3.463 49.316 -10.146 195 SER ATOM 1219 CA SER 219 0.532 50.616 -12.251 196 ALA ATOM 1220 CA ALA 220 0.263 47.267 -14.107 197 ALA ATOM 1221 CA LEU 221 0.524 45.335 -10.828 198 ILE ATOM 1222 CA HIS 222 -2.389 47.423 -9.407 199 ARG ATOM 1223 CA ILE 223 -4.419 46.441 -12.481 200 LEU ATOM 1224 CA LEU 224 -3.573 42.739 -12.152 201 ILE ATOM 1225 CA ARG 225 -4.224 42.793 -8.367 202 TYR ATOM 1226 CA ARG 226 -6.935 45.512 -8.066 203 PRO ATOM 1227 CA LYS 227 -8.582 44.410 -4.755 204 ARG ATOM 1228 CA TYR 228 -5.805 42.269 -3.235 205 GLU ATOM 1229 CA ASP 229 -5.749 42.732 0.513 206 ALA ATOM 1230 CA GLU 230 -2.962 40.504 1.883 207 LEU ATOM 1231 CA TRP 231 0.048 41.017 -0.379 208 TRP ATOM 1232 CA GLN 232 0.235 43.129 -3.540 209 ARG ATOM 1233 CA PRO 233 3.728 42.612 -5.032 210 PRO ATOM 1234 CA ARG 234 5.929 45.677 -4.358 211 PRO ATOM 1235 CA VAL 235 8.089 47.024 -7.176 212 VAL ATOM 1236 CA LEU 236 11.578 48.059 -5.970 213 LEU ATOM 1237 CA THR 237 14.570 49.678 -7.701 214 THR ATOM 1238 CA CYS 238 18.120 48.359 -7.376 215 MET ATOM 1239 CA SER 239 21.671 48.811 -8.669 216 SER ATOM 1240 CA ALA 240 23.166 45.375 -8.037 217 ALA ATOM 1241 CA LEU 241 26.521 46.425 -9.554 218 VAL ATOM 1242 CA GLU 242 26.829 49.464 -7.216 219 GLU ATOM 1243 CA LYS 243 25.514 47.432 -4.267 220 GLY ATOM 1244 CA ARG 244 22.424 49.632 -3.874 221 ARG ATOM 1245 CA GLY 245 18.967 48.301 -3.042 222 GLY ATOM 1246 CA ILE 246 19.941 44.815 -1.822 223 LEU ATOM 1247 CA ASP 247 19.280 45.634 1.840 224 ALA ATOM 1248 CA GLU 248 15.866 47.087 0.998 225 GLU ATOM 1249 CA ILE 249 15.121 44.002 -1.212 226 LEU ATOM 1250 CA TRP 250 15.830 41.696 1.741 227 TRP ATOM 1251 CA HIS 251 13.754 43.934 4.090 228 ASP ATOM 1252 CA ALA 252 10.862 43.359 1.690 229 THR ATOM 1253 CA ILE 253 11.497 39.563 1.551 230 VAL ATOM 1254 CA ILE 254 11.286 39.519 5.378 231 GLU ATOM 1255 CA ASP 255 8.053 41.612 5.304 232 ARG ATOM 1256 CA PHE 256 6.570 39.054 2.807 233 HIS ATOM 1257 CA LYS 257 7.280 36.241 5.290 234 ARG ATOM 1258 CA THR 258 5.890 38.276 8.226 235 GLN ATOM 1259 CA ALA 259 2.708 39.184 6.393 236 VAL ATOM 1260 CA LEU 260 2.052 35.608 5.127 237 LEU ATOM 1261 CA THR 261 2.906 34.110 8.519 238 THR ATOM 1262 CA ALA 262 0.429 36.417 10.328 239 GLY ATOM 1263 CA SER 263 -2.278 35.192 7.922 240 ALA ATOM 1264 CA GLY 264 -1.324 31.453 8.290 241 GLY ATOM 1265 CA ARG 265 -0.459 31.371 4.588 242 GLU ATOM 1266 CA LEU 266 3.312 30.820 4.883 243 PHE ATOM 1267 CA GLN 267 2.823 27.251 6.190 244 ASP ATOM 1268 CA GLN 268 -0.237 26.761 3.919 245 ALA ATOM 1269 CA VAL 269 1.812 27.528 0.757 246 ARG ATOM 1270 CA ARG 270 4.489 24.997 1.796 247 ARG ATOM 1271 CA GLN 271 2.010 22.204 2.605 248 ARG ATOM 1272 CA GLN 272 0.203 22.816 -0.713 249 ASP ATOM 1273 CA GLN 273 3.506 22.743 -2.678 250 GLN ATOM 1274 CA SER 274 4.449 19.388 -1.087 251 GLN ATOM 1275 CA VAL 275 1.083 17.749 -1.885 252 VAL ATOM 1276 CA GLU 276 1.272 19.182 -5.427 253 ASP ATOM 1277 CA TRP 277 4.800 17.815 -5.878 254 TRP ATOM 1278 CA LEU 278 3.629 14.348 -4.658 255 THR ATOM 1279 CA ARG 279 0.991 14.240 -7.406 256 TRP ATOM 1280 CA LYS 280 3.521 15.500 -9.978 257 GLN ATOM 1281 CA GLN 281 5.794 12.565 -9.083 258 LEU ATOM 1282 CA THR 282 2.853 10.152 -9.617 259 VAL ATOM 1283 CA GLU 283 2.087 11.856 -12.972 260 ARG ATOM 1284 CA GLU 284 5.694 11.709 -14.195 261 ASP ATOM 1285 CA GLU 285 6.084 8.025 -13.180 262 ALA ATOM 1286 CA VAL 286 3.010 6.984 -15.144 263 VAL ATOM 1287 CA LEU 287 3.578 9.258 -18.179 264 LEU ATOM 1288 CA ASN 288 7.295 8.346 -18.470 265 ASP ATOM 1289 CA HIS 289 6.396 4.753 -19.325 266 ARG ATOM 1290 CA LEU 290 4.743 6.091 -22.491 267 VAL ATOM 1291 CA PHE 291 7.019 9.053 -23.327 268 TRP ATOM 1292 CA ALA 292 10.324 7.143 -22.952 269 SER ATOM 1293 CA ASN 293 9.092 4.071 -24.869 270 ASN ATOM 1294 CA GLU 294 11.452 3.647 -27.913 271 PRO ATOM 1295 CA ASP 295 8.655 2.456 -30.230 272 THR ATOM 1296 CA PHE 296 6.403 5.364 -29.299 273 VAL ATOM 1297 CA ASP 297 9.364 7.666 -30.025 274 ARG ATOM 1298 CA ARG 298 9.755 5.979 -33.448 275 LYS ATOM 1299 CA TYR 299 6.130 6.466 -34.579 276 VAL ATOM 1300 CA TYR 300 5.485 9.863 -32.920 277 ARG ATOM 1301 CA ARG 301 6.402 11.888 -36.025 278 SER ATOM 1302 CA GLN 302 4.049 10.124 -38.414 279 GLU ATOM 1303 CA THR 303 1.132 9.966 -35.939 280 LEU ATOM 1304 CA LEU 304 1.542 13.713 -35.331 281 GLU ATOM 1305 CA LEU 305 1.785 14.418 -39.083 282 ARG ATOM 1306 CA ALA 306 -1.512 12.556 -39.596 283 ARG ATOM 1307 CA VAL 307 -3.150 14.582 -36.849 284 VAL ATOM 1308 CA LYS 308 -1.761 17.877 -38.285 285 ARG ATOM 1309 CA ASN 309 -3.117 16.989 -41.744 286 ALA ATOM 1310 CA ASN 310 -6.624 15.983 -40.544 287 GLY ATOM 1311 CA THR 311 -6.121 12.349 -41.569 288 GLU ATOM 1312 CA LEU 312 -6.592 11.101 -38.005 289 LEU ATOM 1313 CA SER 313 -8.483 12.348 -34.952 290 THR ATOM 1314 CA PRO 314 -6.631 13.219 -31.722 291 PRO ATOM 1315 CA ARG 315 -8.615 10.488 -29.892 292 ALA ATOM 1316 CA THR 316 -7.693 7.811 -32.457 293 LEU ATOM 1317 CA GLY 317 -4.030 8.879 -32.457 294 ALA ATOM 1318 CA LEU 318 -3.999 8.770 -28.611 295 ALA ATOM 1319 CA ARG 319 -5.443 5.223 -28.674 296 GLN ATOM 1320 CA GLN 320 -2.739 4.074 -31.135 297 GLN ATOM 1321 CA LEU 321 -0.004 5.618 -28.914 298 ILE ATOM 1322 CA SER 322 -1.417 3.793 -25.856 299 LEU ATOM 1323 CA GLU 323 -1.805 0.448 -27.728 300 GLU ATOM 1324 CA PHE 324 1.773 0.639 -29.014 301 ILE ATOM 1325 CA ILE 325 3.230 1.526 -25.564 302 ALA ATOM 1326 CA GLN 326 1.298 -1.408 -24.085 303 ASN ATOM 1327 CA THR 327 2.525 -3.884 -26.743 304 LEU ATOM 1328 CA GLN 328 6.154 -2.970 -26.148 305 THR ATOM 1331 CA ASP 331 5.937 -2.522 -22.370 306 ASP TER