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*** ***elNémo ID: 23031610100657419Job options:ID = 23031610100657419 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:ATOM 179 N ASN A 22 -13.663 -43.334 37.904 1.00 47.37 N ATOM 180 CA ASN A 22 -12.710 -44.296 38.363 1.00 47.40 C ATOM 181 C ASN A 22 -12.123 -44.982 37.142 1.00 50.32 C ATOM 182 O ASN A 22 -12.619 -44.852 36.026 1.00 45.12 O ATOM 183 CB ASN A 22 -13.262 -45.254 39.402 1.00 53.79 C ATOM 184 CG ASN A 22 -14.332 -46.151 38.875 1.00 51.35 C ATOM 185 OD1 ASN A 22 -14.713 -46.074 37.754 1.00 52.31 O ATOM 186 ND2 ASN A 22 -14.811 -47.008 39.708 1.00 55.74 N ATOM 187 N THR A 23 -11.098 -45.769 37.381 1.00 48.07 N ATOM 188 CA THR A 23 -10.369 -46.373 36.302 1.00 56.08 C ATOM 189 C THR A 23 -11.225 -47.245 35.426 1.00 53.88 C ATOM 190 O THR A 23 -11.215 -47.086 34.236 1.00 54.22 O ATOM 191 CB THR A 23 -9.169 -47.153 36.846 1.00 52.63 C ATOM 192 OG1 THR A 23 -8.400 -46.311 37.688 1.00 47.87 O ATOM 193 CG2 THR A 23 -8.294 -47.614 35.749 1.00 51.53 C ATOM 194 N ASP A 24 -12.062 -48.066 36.017 1.00 54.63 N ATOM 195 CA ASP A 24 -12.887 -48.931 35.223 1.00 60.30 C ATOM 196 C ASP A 24 -13.830 -48.172 34.341 1.00 58.52 C ATOM 197 O ASP A 24 -13.886 -48.436 33.181 1.00 53.40 O ATOM 198 CB ASP A 24 -13.689 -49.861 36.108 1.00 30.00 C ATOM 199 CG ASP A 24 -12.853 -50.928 36.723 1.00 30.00 C ATOM 200 OD1 ASP A 24 -13.339 -51.573 37.651 1.00 30.00 O ATOM 201 OD2 ASP A 24 -11.707 -51.123 36.300 1.00 30.00 O ATOM 202 N PHE A 25 -14.496 -47.170 34.870 1.00 51.88 N ATOM 203 CA PHE A 25 -15.417 -46.441 34.065 1.00 52.53 C ATOM 204 C PHE A 25 -14.707 -45.751 32.928 1.00 53.19 C ATOM 205 O PHE A 25 -15.114 -45.908 31.795 1.00 57.50 O ATOM 206 CB PHE A 25 -16.169 -45.443 34.911 1.00 54.44 C ATOM 207 CG PHE A 25 -17.087 -44.560 34.136 1.00 56.03 C ATOM 208 CD1 PHE A 25 -18.158 -45.080 33.471 1.00 47.53 C ATOM 209 CD2 PHE A 25 -16.878 -43.201 34.089 1.00 55.21 C ATOM 210 CE1 PHE A 25 -18.995 -44.271 32.763 1.00 53.78 C ATOM 211 CE2 PHE A 25 -17.722 -42.383 33.382 1.00 48.62 C ATOM 212 CZ PHE A 25 -18.784 -42.917 32.722 1.00 49.77 C ATOM 213 N ARG A 26 -13.583 -45.104 33.191 1.00 44.88 N ATOM 214 CA ARG A 26 -12.956 -44.442 32.054 1.00 57.42 C ATOM 215 C ARG A 26 -12.432 -45.404 31.011 1.00 49.62 C ATOM 216 O ARG A 26 -12.488 -45.147 29.850 1.00 43.41 O ATOM 217 CB ARG A 26 -11.968 -43.357 32.419 1.00 57.41 C ATOM 218 CG ARG A 26 -10.941 -43.765 33.393 1.00 57.48 C ATOM 219 CD ARG A 26 -10.157 -42.570 33.828 1.00 60.28 C ATOM 220 NE ARG A 26 -8.866 -43.051 34.197 1.00 58.39 N ATOM 221 CZ ARG A 26 -7.904 -43.201 33.339 1.00 53.51 C ATOM 222 NH1 ARG A 26 -8.123 -42.855 32.110 1.00 55.40 N ATOM 223 NH2 ARG A 26 -6.746 -43.677 33.716 1.00 55.81 N ATOM 224 N THR A 27 -11.880 -46.502 31.469 1.00 51.60 N ATOM 225 CA THR A 27 -11.349 -47.485 30.574 1.00 57.09 C ATOM 226 C THR A 27 -12.426 -48.152 29.745 1.00 51.18 C ATOM 227 O THR A 27 -12.240 -48.405 28.590 1.00 47.42 O ATOM 228 CB THR A 27 -10.478 -48.496 31.319 1.00 60.10 C ATOM 229 OG1 THR A 27 -9.329 -47.831 31.821 1.00 67.25 O ATOM 230 CG2 THR A 27 -10.003 -49.542 30.397 1.00 69.68 C ATOM 231 N GLN A 28 -13.567 -48.415 30.342 1.00 50.08 N ATOM 232 CA GLN A 28 -14.615 -49.104 29.620 1.00 51.07 C ATOM 233 C GLN A 28 -15.194 -48.199 28.577 1.00 51.82 C ATOM 234 O GLN A 28 -15.457 -48.610 27.485 1.00 50.56 O ATOM 235 CB GLN A 28 -15.708 -49.591 30.548 1.00 46.67 C ATOM 236 CG GLN A 28 -15.301 -50.739 31.446 1.00 59.11 C ATOM 237 CD GLN A 28 -15.366 -52.064 30.762 1.00 61.88 C ATOM 238 OE1 GLN A 28 -16.431 -52.549 30.447 1.00 65.13 O ATOM 239 NE2 GLN A 28 -14.223 -52.660 30.534 1.00 53.13 N ATOM 240 N VAL A 29 -15.372 -46.947 28.930 1.00 44.76 N ATOM 241 CA VAL A 29 -15.924 -46.004 27.993 1.00 46.18 C ATOM 242 C VAL A 29 -15.008 -45.841 26.799 1.00 40.72 C ATOM 243 O VAL A 29 -15.445 -45.825 25.701 1.00 41.47 O ATOM 244 CB VAL A 29 -16.240 -44.656 28.645 1.00 45.83 C ATOM 245 CG1 VAL A 29 -16.525 -43.620 27.600 1.00 41.14 C ATOM 246 CG2 VAL A 29 -17.441 -44.783 29.541 1.00 48.96 C ATOM 247 N LYS A 30 -13.721 -45.756 27.031 1.00 40.14 N ATOM 248 CA LYS A 30 -12.790 -45.599 25.942 1.00 45.67 C ATOM 249 C LYS A 30 -12.792 -46.814 25.046 1.00 48.22 C ATOM 250 O LYS A 30 -12.652 -46.723 23.865 1.00 45.92 O ATOM 251 CB LYS A 30 -11.401 -45.299 26.449 1.00 46.48 C ATOM 252 CG LYS A 30 -11.157 -43.856 26.817 1.00 49.28 C ATOM 253 CD LYS A 30 -9.741 -43.729 27.303 1.00 56.00 C ATOM 254 CE LYS A 30 -9.344 -42.294 27.461 1.00 66.05 C ATOM 255 NZ LYS A 30 -7.871 -42.166 27.405 1.00 74.24 N ATOM 256 N GLU A 31 -12.963 -47.970 25.628 1.00 51.81 N ATOM 257 CA GLU A 31 -13.001 -49.158 24.841 1.00 56.46 C ATOM 258 C GLU A 31 -14.247 -49.144 23.970 1.00 52.34 C ATOM 259 O GLU A 31 -14.193 -49.478 22.831 1.00 47.39 O ATOM 260 CB GLU A 31 -12.944 -50.381 25.731 1.00 60.12 C ATOM 261 CG GLU A 31 -12.936 -51.661 24.950 1.00 75.00 C ATOM 262 CD GLU A 31 -12.565 -52.865 25.774 1.00 85.63 C ATOM 263 OE1 GLU A 31 -12.215 -52.726 26.955 1.00 89.67 O ATOM 264 OE2 GLU A 31 -12.627 -53.960 25.209 1.00 91.79 O ATOM 265 N ALA A 32 -15.368 -48.725 24.514 1.00 44.76 N ATOM 266 CA ALA A 32 -16.583 -48.690 23.745 1.00 47.12 C ATOM 267 C ALA A 32 -16.485 -47.696 22.613 1.00 50.02 C ATOM 268 O ALA A 32 -16.979 -47.938 21.542 1.00 42.51 O ATOM 269 CB ALA A 32 -17.768 -48.391 24.620 1.00 47.12 C ATOM 270 N ILE A 33 -15.839 -46.573 22.869 1.00 43.11 N ATOM 271 CA ILE A 33 -15.668 -45.544 21.876 1.00 45.58 C ATOM 272 C ILE A 33 -14.813 -46.071 20.743 1.00 46.07 C ATOM 273 O ILE A 33 -15.061 -45.798 19.614 1.00 43.89 O ATOM 274 CB ILE A 33 -15.023 -44.295 22.469 1.00 43.17 C ATOM 275 CG1 ILE A 33 -16.005 -43.564 23.357 1.00 47.14 C ATOM 276 CG2 ILE A 33 -14.546 -43.390 21.374 1.00 43.42 C ATOM 277 CD1 ILE A 33 -15.394 -42.465 24.171 1.00 48.37 C ATOM 278 N ASP A 34 -13.814 -46.864 21.062 1.00 51.42 N ATOM 279 CA ASP A 34 -12.964 -47.443 20.047 1.00 54.79 C ATOM 280 C ASP A 34 -13.731 -48.431 19.191 1.00 54.52 C ATOM 281 O ASP A 34 -13.476 -48.563 18.034 1.00 50.67 O ATOM 282 CB ASP A 34 -11.753 -48.106 20.669 1.00 55.94 C ATOM 283 CG ASP A 34 -11.039 -49.015 19.718 1.00 63.95 C ATOM 284 OD1 ASP A 34 -10.209 -48.556 18.937 1.00 64.33 O ATOM 285 OD2 ASP A 34 -11.308 -50.212 19.761 1.00 71.77 O ATOM 286 N ILE A 35 -14.687 -49.114 19.776 1.00 51.23 N ATOM 287 CA ILE A 35 -15.488 -50.051 19.049 1.00 49.73 C ATOM 288 C ILE A 35 -16.288 -49.291 18.022 1.00 51.05 C ATOM 289 O ILE A 35 -16.328 -49.659 16.881 1.00 49.29 O ATOM 290 CB ILE A 35 -16.440 -50.811 19.979 1.00 50.30 C ATOM 291 CG1 ILE A 35 -15.710 -51.932 20.700 1.00 55.59 C ATOM 292 CG2 ILE A 35 -17.583 -51.398 19.194 1.00 53.48 C ATOM 293 CD1 ILE A 35 -16.494 -52.554 21.817 1.00 49.20 C ATOM 294 N VAL A 36 -16.930 -48.227 18.449 1.00 48.02 N ATOM 295 CA VAL A 36 -17.743 -47.448 17.564 1.00 46.83 C ATOM 296 C VAL A 36 -16.927 -46.772 16.486 1.00 45.08 C ATOM 297 O VAL A 36 -17.312 -46.751 15.369 1.00 48.97 O ATOM 298 CB VAL A 36 -18.610 -46.463 18.337 1.00 44.41 C ATOM 299 CG1 VAL A 36 -19.310 -45.525 17.403 1.00 42.48 C ATOM 300 CG2 VAL A 36 -19.624 -47.210 19.151 1.00 47.00 C ATOM 301 N CYS A 37 -15.785 -46.232 16.840 1.00 48.63 N ATOM 302 CA CYS A 37 -14.936 -45.556 15.882 1.00 48.19 C ATOM 303 C CYS A 37 -14.375 -46.488 14.838 1.00 48.13 C ATOM 304 O CYS A 37 -14.323 -46.143 13.706 1.00 43.95 O ATOM 305 CB CYS A 37 -13.824 -44.789 16.571 1.00 47.93 C ATOM 306 SG CYS A 37 -14.341 -43.250 17.314 1.00 47.01 S ATOM 307 N ARG A 38 -13.965 -47.675 15.241 1.00 47.35 N ATOM 308 CA ARG A 38 -13.486 -48.678 14.320 1.00 53.13 C ATOM 309 C ARG A 38 -14.611 -49.071 13.377 1.00 55.84 C ATOM 310 O ARG A 38 -14.397 -49.270 12.214 1.00 51.74 O ATOM 311 CB ARG A 38 -13.007 -49.902 15.062 1.00 57.50 C ATOM 312 CG ARG A 38 -11.578 -49.817 15.543 1.00 68.96 C ATOM 313 CD ARG A 38 -11.097 -51.144 16.083 1.00 72.87 C ATOM 314 NE ARG A 38 -12.080 -51.700 16.988 1.00 86.11 N ATOM 315 CZ ARG A 38 -12.067 -52.940 17.443 1.00 82.93 C ATOM 316 NH1 ARG A 38 -11.114 -53.774 17.077 1.00 95.71 N ATOM 317 NH2 ARG A 38 -13.007 -53.345 18.270 1.00 80.99 N ATOM 318 N PHE A 39 -15.817 -49.174 13.899 1.00 47.54 N ATOM 319 CA PHE A 39 -16.965 -49.503 13.097 1.00 47.88 C ATOM 320 C PHE A 39 -17.247 -48.429 12.067 1.00 49.59 C ATOM 321 O PHE A 39 -17.481 -48.723 10.934 1.00 50.16 O ATOM 322 CB PHE A 39 -18.182 -49.701 13.976 1.00 43.91 C ATOM 323 CG PHE A 39 -19.470 -49.531 13.262 1.00 43.97 C ATOM 324 CD1 PHE A 39 -20.006 -50.551 12.531 1.00 51.16 C ATOM 325 CD2 PHE A 39 -20.144 -48.358 13.320 1.00 44.76 C ATOM 326 CE1 PHE A 39 -21.189 -50.399 11.869 1.00 48.03 C ATOM 327 CE2 PHE A 39 -21.330 -48.197 12.660 1.00 50.70 C ATOM 328 CZ PHE A 39 -21.852 -49.220 11.931 1.00 48.53 C ATOM 329 N LEU A 40 -17.215 -47.174 12.467 1.00 43.97 N ATOM 330 CA LEU A 40 -17.477 -46.093 11.546 1.00 44.37 C ATOM 331 C LEU A 40 -16.416 -45.999 10.467 1.00 43.33 C ATOM 332 O LEU A 40 -16.713 -45.727 9.350 1.00 50.50 O ATOM 333 CB LEU A 40 -17.622 -44.780 12.291 1.00 44.67 C ATOM 334 CG LEU A 40 -18.886 -44.583 13.110 1.00 45.88 C ATOM 335 CD1 LEU A 40 -18.799 -43.371 13.994 1.00 49.98 C ATOM 336 CD2 LEU A 40 -20.093 -44.480 12.239 1.00 47.01 C ATOM 337 N LYS A 41 -15.176 -46.233 10.825 1.00 43.01 N ATOM 338 CA LYS A 41 -14.074 -46.122 9.896 1.00 46.81 C ATOM 339 C LYS A 41 -13.780 -47.339 9.060 1.00 49.87 C ATOM 340 O LYS A 41 -13.376 -47.216 7.945 1.00 49.38 O ATOM 341 CB LYS A 41 -12.805 -45.773 10.645 1.00 45.74 C ATOM 342 CG LYS A 41 -12.729 -44.339 11.077 1.00 49.42 C ATOM 343 CD LYS A 41 -12.126 -44.211 12.448 1.00 50.13 C ATOM 344 CE LYS A 41 -10.727 -44.744 12.507 1.00 51.11 C ATOM 345 NZ LYS A 41 -10.335 -45.053 13.893 1.00 52.56 N ATOM 346 N GLU A 42 -13.991 -48.510 9.618 1.00 49.70 N ATOM 347 CA GLU A 42 -13.660 -49.723 8.937 1.00 48.72 C ATOM 348 C GLU A 42 -14.810 -50.567 8.430 1.00 50.13 C ATOM 349 O GLU A 42 -14.577 -51.595 7.872 1.00 60.36 O ATOM 350 CB GLU A 42 -12.794 -50.549 9.852 1.00 50.13 C ATOM 351 CG GLU A 42 -11.641 -49.774 10.427 1.00 60.60 C ATOM 352 CD GLU A 42 -10.950 -50.484 11.564 1.00 62.99 C ATOM 353 OE1 GLU A 42 -9.905 -50.018 12.010 1.00 62.27 O ATOM 354 OE2 GLU A 42 -11.440 -51.515 12.018 1.00 60.39 O ATOM 355 N ARG A 43 -16.040 -50.136 8.576 1.00 52.76 N ATOM 356 CA ARG A 43 -17.124 -50.963 8.139 1.00 50.09 C ATOM 357 C ARG A 43 -18.386 -50.263 7.734 1.00 53.73 C ATOM 358 O ARG A 43 -19.007 -50.646 6.797 1.00 51.35 O ATOM 359 CB ARG A 43 -17.464 -51.932 9.257 1.00 53.68 C ATOM 360 CG ARG A 43 -18.772 -52.655 9.107 1.00 58.08 C ATOM 361 CD ARG A 43 -18.659 -53.750 8.081 1.00 59.97 C ATOM 362 NE ARG A 43 -19.917 -54.437 7.928 1.00 64.48 N ATOM 363 CZ ARG A 43 -20.264 -55.516 8.600 1.00 59.23 C ATOM 364 NH1 ARG A 43 -19.445 -56.057 9.468 1.00 52.09 N ATOM 365 NH2 ARG A 43 -21.437 -56.050 8.387 1.00 58.17 N END If you find results from this site helpful for your research, please cite one of our papers:
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