USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 397 MET CE :methyl -112:sc= -3.28 (180deg=-5.82!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 GLN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 418 MET CE :methyl -157:sc= -2.57 (180deg=-3.38!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -172:sc= -4.14 (180deg=-4.22) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.645 -5.092 -2.593 1.00 0.00 N ATOM 212 CA ILE A 395 6.024 -4.831 -2.200 1.00 0.00 C ATOM 213 C ILE A 395 6.374 -3.356 -2.365 1.00 0.00 C ATOM 214 O ILE A 395 5.881 -2.687 -3.272 1.00 0.00 O ATOM 215 CB ILE A 395 7.016 -5.678 -3.023 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.621 -7.155 -2.974 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.435 -5.487 -2.508 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.710 -7.758 -1.589 1.00 0.00 C ATOM 0 HA ILE A 395 6.109 -5.107 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 395 6.980 -5.344 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.601 -7.263 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.266 -7.718 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.122 -6.092 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.714 -4.436 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.488 -5.796 -1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.416 -8.807 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.734 -7.682 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.044 -7.220 -0.914 1.00 0.00 H new ATOM 230 N VAL A 396 7.229 -2.859 -1.479 1.00 0.00 N ATOM 231 CA VAL A 396 7.653 -1.465 -1.518 1.00 0.00 C ATOM 232 C VAL A 396 9.175 -1.362 -1.474 1.00 0.00 C ATOM 233 O VAL A 396 9.835 -2.106 -0.749 1.00 0.00 O ATOM 234 CB VAL A 396 7.053 -0.666 -0.343 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.532 -1.226 0.988 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.397 0.812 -0.461 1.00 0.00 C ATOM 0 H VAL A 396 7.643 -3.403 -0.722 1.00 0.00 H new ATOM 0 HA VAL A 396 7.290 -1.040 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 396 5.968 -0.765 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.097 -0.648 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.224 -2.268 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.619 -1.164 1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 396 6.963 1.355 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.480 0.935 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.995 1.206 -1.394 1.00 0.00 H new ATOM 246 N MET A 397 9.727 -0.436 -2.249 1.00 0.00 N ATOM 247 CA MET A 397 11.171 -0.244 -2.287 1.00 0.00 C ATOM 248 C MET A 397 11.633 0.599 -1.104 1.00 0.00 C ATOM 249 O MET A 397 11.303 1.781 -1.004 1.00 0.00 O ATOM 250 CB MET A 397 11.584 0.426 -3.599 1.00 0.00 C ATOM 251 CG MET A 397 11.363 -0.446 -4.824 1.00 0.00 C ATOM 252 SD MET A 397 12.654 -1.686 -5.035 1.00 0.00 S ATOM 253 CE MET A 397 12.064 -2.979 -3.945 1.00 0.00 C ATOM 0 H MET A 397 9.199 0.191 -2.857 1.00 0.00 H new ATOM 0 HA MET A 397 11.647 -1.223 -2.224 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.022 1.352 -3.717 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.638 0.698 -3.542 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.397 -0.944 -4.742 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.322 0.185 -5.712 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.738 -3.072 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.064 -2.728 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.031 -3.924 -4.486 1.00 0.00 H new ATOM 263 N VAL A 398 12.400 -0.016 -0.210 1.00 0.00 N ATOM 264 CA VAL A 398 12.910 0.678 0.967 1.00 0.00 C ATOM 265 C VAL A 398 14.430 0.768 0.929 1.00 0.00 C ATOM 266 O VAL A 398 15.126 -0.238 1.071 1.00 0.00 O ATOM 267 CB VAL A 398 12.483 -0.030 2.267 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.871 0.802 3.481 1.00 0.00 C ATOM 269 CG2 VAL A 398 10.988 -0.305 2.255 1.00 0.00 C ATOM 0 H VAL A 398 12.682 -0.994 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 398 12.485 1.682 0.953 1.00 0.00 H new ATOM 0 HB VAL A 398 13.005 -0.985 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.561 0.286 4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.952 0.944 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.378 1.773 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.703 -0.805 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.446 0.637 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.742 -0.944 1.406 1.00 0.00 H new ATOM 279 N ALA A 399 14.944 1.978 0.735 1.00 0.00 N ATOM 280 CA ALA A 399 16.383 2.198 0.676 1.00 0.00 C ATOM 281 C ALA A 399 17.035 1.319 -0.388 1.00 0.00 C ATOM 282 O ALA A 399 18.230 1.031 -0.321 1.00 0.00 O ATOM 283 CB ALA A 399 17.012 1.935 2.037 1.00 0.00 C ATOM 0 H ALA A 399 14.384 2.822 0.616 1.00 0.00 H new ATOM 0 HA ALA A 399 16.553 3.239 0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.087 2.103 1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.578 2.610 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.821 0.903 2.333 1.00 0.00 H new ATOM 289 N GLY A 400 16.244 0.895 -1.371 1.00 0.00 N ATOM 290 CA GLY A 400 16.767 0.056 -2.433 1.00 0.00 C ATOM 291 C GLY A 400 16.404 -1.408 -2.261 1.00 0.00 C ATOM 292 O GLY A 400 16.485 -2.188 -3.211 1.00 0.00 O ATOM 0 H GLY A 400 15.252 1.118 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.385 0.410 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.852 0.155 -2.467 1.00 0.00 H new ATOM 296 N ARG A 401 16.007 -1.788 -1.049 1.00 0.00 N ATOM 297 CA ARG A 401 15.637 -3.170 -0.766 1.00 0.00 C ATOM 298 C ARG A 401 14.119 -3.337 -0.733 1.00 0.00 C ATOM 299 O ARG A 401 13.398 -2.439 -0.298 1.00 0.00 O ATOM 300 CB ARG A 401 16.241 -3.619 0.566 1.00 0.00 C ATOM 301 CG ARG A 401 17.626 -4.231 0.431 1.00 0.00 C ATOM 302 CD ARG A 401 18.053 -4.929 1.711 1.00 0.00 C ATOM 303 NE ARG A 401 17.242 -6.113 1.987 1.00 0.00 N ATOM 304 CZ ARG A 401 17.388 -7.275 1.355 1.00 0.00 C ATOM 305 NH1 ARG A 401 18.311 -7.414 0.412 1.00 0.00 N ATOM 306 NH2 ARG A 401 16.609 -8.301 1.668 1.00 0.00 N ATOM 0 H ARG A 401 15.934 -1.159 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 401 16.033 -3.795 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.295 -2.762 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.575 -4.346 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.631 -4.945 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.347 -3.452 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 401 19.101 -5.218 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.975 -4.233 2.546 1.00 0.00 H new ATOM 0 HE ARG A 401 16.522 -6.045 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 401 18.913 -6.628 0.168 1.00 0.00 H new ATOM 0 HH12 ARG A 401 18.418 -8.307 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 401 15.898 -8.199 2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 401 16.720 -9.192 1.184 1.00 0.00 H new ATOM 320 N PRO A 402 13.612 -4.495 -1.192 1.00 0.00 N ATOM 321 CA PRO A 402 12.173 -4.776 -1.214 1.00 0.00 C ATOM 322 C PRO A 402 11.622 -5.099 0.172 1.00 0.00 C ATOM 323 O PRO A 402 12.226 -5.856 0.932 1.00 0.00 O ATOM 324 CB PRO A 402 12.070 -5.997 -2.125 1.00 0.00 C ATOM 325 CG PRO A 402 13.375 -6.698 -1.959 1.00 0.00 C ATOM 326 CD PRO A 402 14.401 -5.621 -1.730 1.00 0.00 C ATOM 0 HA PRO A 402 11.594 -3.918 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.236 -6.637 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.905 -5.705 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.342 -7.390 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.617 -7.285 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.170 -5.943 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.909 -5.348 -2.655 1.00 0.00 H new ATOM 334 N PHE A 403 10.469 -4.520 0.492 1.00 0.00 N ATOM 335 CA PHE A 403 9.830 -4.746 1.783 1.00 0.00 C ATOM 336 C PHE A 403 8.311 -4.698 1.651 1.00 0.00 C ATOM 337 O PHE A 403 7.781 -4.106 0.712 1.00 0.00 O ATOM 338 CB PHE A 403 10.296 -3.703 2.799 1.00 0.00 C ATOM 339 CG PHE A 403 11.680 -3.956 3.328 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.790 -3.442 2.678 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.868 -4.705 4.478 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.063 -3.673 3.164 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.139 -4.940 4.969 1.00 0.00 C ATOM 344 CZ PHE A 403 14.237 -4.422 4.311 1.00 0.00 C ATOM 0 H PHE A 403 9.958 -3.890 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 403 10.118 -5.737 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.268 -2.717 2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.595 -3.682 3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.659 -2.854 1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 403 11.012 -5.110 4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.921 -3.268 2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.273 -5.527 5.865 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.231 -4.602 4.693 1.00 0.00 H new ATOM 354 N SER A 404 7.617 -5.322 2.595 1.00 0.00 N ATOM 355 CA SER A 404 6.160 -5.343 2.576 1.00 0.00 C ATOM 356 C SER A 404 5.599 -3.958 2.882 1.00 0.00 C ATOM 357 O SER A 404 6.095 -3.258 3.765 1.00 0.00 O ATOM 358 CB SER A 404 5.628 -6.358 3.590 1.00 0.00 C ATOM 359 OG SER A 404 6.104 -7.661 3.304 1.00 0.00 O ATOM 0 H SER A 404 8.038 -5.818 3.380 1.00 0.00 H new ATOM 0 HA SER A 404 5.836 -5.638 1.578 1.00 0.00 H new ATOM 0 HB2 SER A 404 5.935 -6.068 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.538 -6.354 3.576 1.00 0.00 H new ATOM 0 HG SER A 404 5.752 -8.291 3.967 1.00 0.00 H new ATOM 365 N TYR A 405 4.564 -3.566 2.146 1.00 0.00 N ATOM 366 CA TYR A 405 3.940 -2.262 2.341 1.00 0.00 C ATOM 367 C TYR A 405 3.430 -2.109 3.770 1.00 0.00 C ATOM 368 O TYR A 405 3.578 -1.052 4.383 1.00 0.00 O ATOM 369 CB TYR A 405 2.788 -2.071 1.352 1.00 0.00 C ATOM 370 CG TYR A 405 2.200 -0.678 1.370 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.875 0.387 0.787 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.972 -0.429 1.969 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.342 1.663 0.801 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.433 0.844 1.987 1.00 0.00 C ATOM 375 CZ TYR A 405 1.121 1.885 1.403 1.00 0.00 C ATOM 376 OH TYR A 405 0.588 3.154 1.419 1.00 0.00 O ATOM 0 H TYR A 405 4.140 -4.131 1.410 1.00 0.00 H new ATOM 0 HA TYR A 405 4.695 -1.496 2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.143 -2.293 0.346 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.002 -2.791 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.831 0.216 0.315 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.430 -1.242 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.879 2.481 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.523 1.022 2.457 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.277 3.140 1.880 1.00 0.00 H new ATOM 386 N SER A 406 2.829 -3.172 4.296 1.00 0.00 N ATOM 387 CA SER A 406 2.299 -3.156 5.654 1.00 0.00 C ATOM 388 C SER A 406 3.425 -3.032 6.676 1.00 0.00 C ATOM 389 O SER A 406 3.296 -2.321 7.672 1.00 0.00 O ATOM 390 CB SER A 406 1.492 -4.427 5.922 1.00 0.00 C ATOM 391 OG SER A 406 2.326 -5.573 5.915 1.00 0.00 O ATOM 0 H SER A 406 2.697 -4.055 3.802 1.00 0.00 H new ATOM 0 HA SER A 406 1.645 -2.289 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.989 -4.346 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 406 0.715 -4.534 5.165 1.00 0.00 H new ATOM 0 HG SER A 406 1.786 -6.372 6.090 1.00 0.00 H new ATOM 397 N GLU A 407 4.526 -3.729 6.420 1.00 0.00 N ATOM 398 CA GLU A 407 5.676 -3.699 7.317 1.00 0.00 C ATOM 399 C GLU A 407 6.240 -2.289 7.440 1.00 0.00 C ATOM 400 O GLU A 407 6.807 -1.921 8.469 1.00 0.00 O ATOM 401 CB GLU A 407 6.762 -4.655 6.822 1.00 0.00 C ATOM 402 CG GLU A 407 7.939 -4.786 7.775 1.00 0.00 C ATOM 403 CD GLU A 407 9.047 -5.664 7.222 1.00 0.00 C ATOM 404 OE1 GLU A 407 8.913 -6.137 6.073 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.047 -5.878 7.938 1.00 0.00 O ATOM 0 H GLU A 407 4.647 -4.322 5.599 1.00 0.00 H new ATOM 0 HA GLU A 407 5.340 -4.020 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.322 -5.640 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.126 -4.309 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.339 -3.795 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.591 -5.201 8.721 1.00 0.00 H new ATOM 412 N VAL A 408 6.078 -1.506 6.383 1.00 0.00 N ATOM 413 CA VAL A 408 6.569 -0.133 6.367 1.00 0.00 C ATOM 414 C VAL A 408 5.779 0.741 7.335 1.00 0.00 C ATOM 415 O VAL A 408 6.356 1.489 8.124 1.00 0.00 O ATOM 416 CB VAL A 408 6.487 0.477 4.952 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.058 1.887 4.936 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.206 -0.409 3.943 1.00 0.00 C ATOM 0 H VAL A 408 5.610 -1.797 5.524 1.00 0.00 H new ATOM 0 HA VAL A 408 7.613 -0.164 6.679 1.00 0.00 H new ATOM 0 HB VAL A 408 5.436 0.536 4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 408 6.989 2.296 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.492 2.517 5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.103 1.860 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.137 0.038 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.254 -0.505 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.742 -1.395 3.929 1.00 0.00 H new ATOM 428 N SER A 409 4.456 0.641 7.270 1.00 0.00 N ATOM 429 CA SER A 409 3.587 1.424 8.143 1.00 0.00 C ATOM 430 C SER A 409 3.792 1.036 9.602 1.00 0.00 C ATOM 431 O SER A 409 3.626 1.856 10.505 1.00 0.00 O ATOM 432 CB SER A 409 2.122 1.230 7.750 1.00 0.00 C ATOM 433 OG SER A 409 1.277 2.098 8.485 1.00 0.00 O ATOM 0 H SER A 409 3.962 0.027 6.623 1.00 0.00 H new ATOM 0 HA SER A 409 3.848 2.476 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.001 1.417 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.829 0.195 7.928 1.00 0.00 H new ATOM 0 HG SER A 409 0.346 1.955 8.214 1.00 0.00 H new ATOM 439 N GLN A 410 4.153 -0.219 9.822 1.00 0.00 N ATOM 440 CA GLN A 410 4.384 -0.727 11.170 1.00 0.00 C ATOM 441 C GLN A 410 5.718 -0.236 11.718 1.00 0.00 C ATOM 442 O GLN A 410 5.901 -0.124 12.930 1.00 0.00 O ATOM 443 CB GLN A 410 4.347 -2.256 11.177 1.00 0.00 C ATOM 444 CG GLN A 410 2.983 -2.834 10.837 1.00 0.00 C ATOM 445 CD GLN A 410 2.951 -4.347 10.929 1.00 0.00 C ATOM 446 OE1 GLN A 410 2.870 -4.912 12.019 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.016 -5.011 9.781 1.00 0.00 N ATOM 0 H GLN A 410 4.293 -0.908 9.083 1.00 0.00 H new ATOM 0 HA GLN A 410 3.589 -0.349 11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.080 -2.632 10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.649 -2.614 12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.237 -2.417 11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.705 -2.529 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.082 -4.501 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.000 -6.031 9.780 1.00 0.00 H new ATOM 456 N ARG A 411 6.646 0.057 10.817 1.00 0.00 N ATOM 457 CA ARG A 411 7.968 0.537 11.205 1.00 0.00 C ATOM 458 C ARG A 411 8.281 1.871 10.533 1.00 0.00 C ATOM 459 O ARG A 411 8.916 1.911 9.480 1.00 0.00 O ATOM 460 CB ARG A 411 9.035 -0.495 10.837 1.00 0.00 C ATOM 461 CG ARG A 411 9.052 -1.707 11.755 1.00 0.00 C ATOM 462 CD ARG A 411 10.468 -2.210 11.987 1.00 0.00 C ATOM 463 NE ARG A 411 11.014 -1.740 13.258 1.00 0.00 N ATOM 464 CZ ARG A 411 12.259 -1.979 13.663 1.00 0.00 C ATOM 465 NH1 ARG A 411 13.089 -2.680 12.901 1.00 0.00 N ATOM 466 NH2 ARG A 411 12.676 -1.514 14.833 1.00 0.00 N ATOM 0 H ARG A 411 6.508 -0.029 9.810 1.00 0.00 H new ATOM 0 HA ARG A 411 7.972 0.685 12.285 1.00 0.00 H new ATOM 0 HB2 ARG A 411 8.868 -0.828 9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.014 -0.017 10.862 1.00 0.00 H new ATOM 0 HG2 ARG A 411 8.596 -1.448 12.710 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.449 -2.503 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.473 -3.300 11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.109 -1.877 11.171 1.00 0.00 H new ATOM 0 HE ARG A 411 10.406 -1.197 13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 411 12.774 -3.039 12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 411 14.042 -2.860 13.217 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.043 -0.973 15.422 1.00 0.00 H new ATOM 0 HH22 ARG A 411 13.630 -1.697 15.144 1.00 0.00 H new ATOM 480 N PRO A 412 7.837 2.987 11.136 1.00 0.00 N ATOM 481 CA PRO A 412 8.073 4.328 10.590 1.00 0.00 C ATOM 482 C PRO A 412 9.545 4.576 10.282 1.00 0.00 C ATOM 483 O PRO A 412 9.879 5.373 9.404 1.00 0.00 O ATOM 484 CB PRO A 412 7.597 5.257 11.709 1.00 0.00 C ATOM 485 CG PRO A 412 6.599 4.455 12.468 1.00 0.00 C ATOM 486 CD PRO A 412 7.069 3.030 12.396 1.00 0.00 C ATOM 0 HA PRO A 412 7.554 4.480 9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.425 5.565 12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.150 6.166 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.534 4.792 13.503 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.604 4.560 12.035 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.689 2.767 13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.233 2.331 12.381 1.00 0.00 H new ATOM 494 N GLU A 413 10.423 3.889 11.006 1.00 0.00 N ATOM 495 CA GLU A 413 11.859 4.037 10.808 1.00 0.00 C ATOM 496 C GLU A 413 12.259 3.637 9.393 1.00 0.00 C ATOM 497 O GLU A 413 13.232 4.150 8.842 1.00 0.00 O ATOM 498 CB GLU A 413 12.627 3.193 11.827 1.00 0.00 C ATOM 499 CG GLU A 413 14.133 3.394 11.772 1.00 0.00 C ATOM 500 CD GLU A 413 14.554 4.772 12.244 1.00 0.00 C ATOM 501 OE1 GLU A 413 13.799 5.389 13.025 1.00 0.00 O ATOM 502 OE2 GLU A 413 15.640 5.234 11.833 1.00 0.00 O ATOM 0 H GLU A 413 10.164 3.224 11.735 1.00 0.00 H new ATOM 0 HA GLU A 413 12.112 5.087 10.953 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.273 3.436 12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.403 2.140 11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.620 2.638 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.479 3.243 10.750 1.00 0.00 H new ATOM 509 N LEU A 414 11.500 2.718 8.813 1.00 0.00 N ATOM 510 CA LEU A 414 11.769 2.246 7.460 1.00 0.00 C ATOM 511 C LEU A 414 11.553 3.363 6.445 1.00 0.00 C ATOM 512 O LEU A 414 12.293 3.479 5.468 1.00 0.00 O ATOM 513 CB LEU A 414 10.872 1.054 7.124 1.00 0.00 C ATOM 514 CG LEU A 414 11.049 -0.168 8.028 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.202 -1.329 7.529 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.514 -0.569 8.101 1.00 0.00 C ATOM 0 H LEU A 414 10.692 2.283 9.258 1.00 0.00 H new ATOM 0 HA LEU A 414 12.811 1.930 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.832 1.376 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.063 0.755 6.093 1.00 0.00 H new ATOM 0 HG LEU A 414 10.714 0.095 9.031 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.341 -2.189 8.184 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.151 -1.039 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.506 -1.592 6.516 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.621 -1.440 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.875 -0.813 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.098 0.258 8.506 1.00 0.00 H new ATOM 528 N VAL A 415 10.536 4.185 6.686 1.00 0.00 N ATOM 529 CA VAL A 415 10.227 5.294 5.794 1.00 0.00 C ATOM 530 C VAL A 415 11.369 6.304 5.765 1.00 0.00 C ATOM 531 O VAL A 415 11.690 6.865 4.718 1.00 0.00 O ATOM 532 CB VAL A 415 8.930 6.012 6.219 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.549 7.078 5.201 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.800 5.009 6.399 1.00 0.00 C ATOM 0 H VAL A 415 9.914 4.103 7.490 1.00 0.00 H new ATOM 0 HA VAL A 415 10.089 4.874 4.798 1.00 0.00 H new ATOM 0 HB VAL A 415 9.106 6.504 7.176 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.631 7.573 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.351 7.813 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.392 6.612 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.893 5.533 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.624 4.487 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.073 4.287 7.169 1.00 0.00 H new ATOM 544 N ALA A 416 11.982 6.528 6.924 1.00 0.00 N ATOM 545 CA ALA A 416 13.092 7.466 7.032 1.00 0.00 C ATOM 546 C ALA A 416 14.304 6.972 6.253 1.00 0.00 C ATOM 547 O ALA A 416 15.115 7.764 5.773 1.00 0.00 O ATOM 548 CB ALA A 416 13.453 7.692 8.494 1.00 0.00 C ATOM 0 H ALA A 416 11.728 6.072 7.800 1.00 0.00 H new ATOM 0 HA ALA A 416 12.778 8.415 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.284 8.395 8.559 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.591 8.099 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.743 6.744 8.948 1.00 0.00 H new ATOM 554 N GLN A 417 14.416 5.657 6.130 1.00 0.00 N ATOM 555 CA GLN A 417 15.526 5.045 5.406 1.00 0.00 C ATOM 556 C GLN A 417 15.288 5.085 3.898 1.00 0.00 C ATOM 557 O GLN A 417 16.219 4.921 3.111 1.00 0.00 O ATOM 558 CB GLN A 417 15.724 3.599 5.865 1.00 0.00 C ATOM 559 CG GLN A 417 16.084 3.470 7.335 1.00 0.00 C ATOM 560 CD GLN A 417 16.385 2.041 7.739 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.469 1.522 7.473 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.421 1.395 8.387 1.00 0.00 N ATOM 0 H GLN A 417 13.751 4.990 6.522 1.00 0.00 H new ATOM 0 HA GLN A 417 16.427 5.617 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.810 3.038 5.673 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.511 3.141 5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.952 4.094 7.549 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.261 3.849 7.941 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.538 1.864 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 417 15.565 0.430 8.685 1.00 0.00 H new ATOM 571 N MET A 418 14.036 5.300 3.504 1.00 0.00 N ATOM 572 CA MET A 418 13.679 5.357 2.092 1.00 0.00 C ATOM 573 C MET A 418 14.100 6.685 1.471 1.00 0.00 C ATOM 574 O MET A 418 13.832 7.752 2.022 1.00 0.00 O ATOM 575 CB MET A 418 12.171 5.168 1.920 1.00 0.00 C ATOM 576 CG MET A 418 11.671 3.806 2.371 1.00 0.00 C ATOM 577 SD MET A 418 10.322 3.191 1.346 1.00 0.00 S ATOM 578 CE MET A 418 9.152 2.678 2.599 1.00 0.00 C ATOM 0 H MET A 418 13.253 5.437 4.143 1.00 0.00 H new ATOM 0 HA MET A 418 14.208 4.552 1.581 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.650 5.942 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.913 5.311 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.496 3.094 2.346 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.336 3.870 3.406 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.477 1.931 2.182 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.689 2.250 3.445 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.576 3.541 2.934 1.00 0.00 H new ATOM 588 N THR A 419 14.750 6.613 0.314 1.00 0.00 N ATOM 589 CA THR A 419 15.195 7.811 -0.387 1.00 0.00 C ATOM 590 C THR A 419 13.990 8.648 -0.811 1.00 0.00 C ATOM 591 O THR A 419 12.879 8.131 -0.915 1.00 0.00 O ATOM 592 CB THR A 419 16.029 7.430 -1.614 1.00 0.00 C ATOM 593 OG1 THR A 419 15.193 7.021 -2.681 1.00 0.00 O ATOM 594 CG2 THR A 419 17.012 6.310 -1.347 1.00 0.00 C ATOM 0 H THR A 419 14.980 5.738 -0.157 1.00 0.00 H new ATOM 0 HA THR A 419 15.816 8.401 0.288 1.00 0.00 H new ATOM 0 HB THR A 419 16.589 8.329 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.744 6.783 -3.456 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.570 6.091 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.704 6.613 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.471 5.419 -1.029 1.00 0.00 H new ATOM 602 N PRO A 420 14.187 9.954 -1.064 1.00 0.00 N ATOM 603 CA PRO A 420 13.105 10.850 -1.475 1.00 0.00 C ATOM 604 C PRO A 420 12.220 10.231 -2.551 1.00 0.00 C ATOM 605 O PRO A 420 11.007 10.115 -2.374 1.00 0.00 O ATOM 606 CB PRO A 420 13.835 12.092 -2.014 1.00 0.00 C ATOM 607 CG PRO A 420 15.295 11.758 -1.989 1.00 0.00 C ATOM 608 CD PRO A 420 15.463 10.667 -0.972 1.00 0.00 C ATOM 0 HA PRO A 420 12.430 11.074 -0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.506 12.329 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.624 12.966 -1.398 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.635 11.429 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 420 15.889 12.632 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 420 16.308 10.020 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.635 11.066 0.028 1.00 0.00 H new ATOM 616 N GLU A 421 12.829 9.822 -3.659 1.00 0.00 N ATOM 617 CA GLU A 421 12.081 9.202 -4.745 1.00 0.00 C ATOM 618 C GLU A 421 11.396 7.937 -4.248 1.00 0.00 C ATOM 619 O GLU A 421 10.258 7.646 -4.617 1.00 0.00 O ATOM 620 CB GLU A 421 13.010 8.874 -5.916 1.00 0.00 C ATOM 621 CG GLU A 421 13.626 10.102 -6.566 1.00 0.00 C ATOM 622 CD GLU A 421 14.489 9.758 -7.765 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.795 8.563 -7.954 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.857 10.685 -8.516 1.00 0.00 O ATOM 0 H GLU A 421 13.831 9.908 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 421 11.322 9.904 -5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.808 8.221 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.451 8.317 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.832 10.780 -6.878 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.229 10.634 -5.830 1.00 0.00 H new ATOM 631 N GLU A 422 12.094 7.196 -3.392 1.00 0.00 N ATOM 632 CA GLU A 422 11.550 5.971 -2.825 1.00 0.00 C ATOM 633 C GLU A 422 10.364 6.291 -1.924 1.00 0.00 C ATOM 634 O GLU A 422 9.402 5.525 -1.851 1.00 0.00 O ATOM 635 CB GLU A 422 12.624 5.223 -2.034 1.00 0.00 C ATOM 636 CG GLU A 422 13.644 4.516 -2.913 1.00 0.00 C ATOM 637 CD GLU A 422 14.698 3.778 -2.109 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.782 4.011 -0.884 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.441 2.971 -2.704 1.00 0.00 O ATOM 0 H GLU A 422 13.037 7.424 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 422 11.212 5.332 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.143 5.928 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.143 4.489 -1.388 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.129 3.810 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.131 5.247 -3.558 1.00 0.00 H new ATOM 646 N LYS A 423 10.434 7.435 -1.247 1.00 0.00 N ATOM 647 CA LYS A 423 9.360 7.861 -0.362 1.00 0.00 C ATOM 648 C LYS A 423 8.083 8.098 -1.160 1.00 0.00 C ATOM 649 O LYS A 423 6.981 7.813 -0.692 1.00 0.00 O ATOM 650 CB LYS A 423 9.758 9.135 0.384 1.00 0.00 C ATOM 651 CG LYS A 423 8.740 9.576 1.424 1.00 0.00 C ATOM 652 CD LYS A 423 9.166 10.862 2.110 1.00 0.00 C ATOM 653 CE LYS A 423 8.235 11.216 3.259 1.00 0.00 C ATOM 654 NZ LYS A 423 8.377 12.640 3.671 1.00 0.00 N ATOM 0 H LYS A 423 11.222 8.080 -1.296 1.00 0.00 H new ATOM 0 HA LYS A 423 9.178 7.072 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.718 8.974 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.899 9.939 -0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.771 9.721 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.615 8.790 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.184 10.756 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.177 11.676 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.204 11.025 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.447 10.569 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.726 12.841 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.355 12.817 3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.150 13.258 2.866 1.00 0.00 H new ATOM 668 N GLU A 424 8.246 8.616 -2.374 1.00 0.00 N ATOM 669 CA GLU A 424 7.113 8.885 -3.248 1.00 0.00 C ATOM 670 C GLU A 424 6.412 7.588 -3.633 1.00 0.00 C ATOM 671 O GLU A 424 5.186 7.499 -3.587 1.00 0.00 O ATOM 672 CB GLU A 424 7.578 9.628 -4.503 1.00 0.00 C ATOM 673 CG GLU A 424 7.637 11.137 -4.330 1.00 0.00 C ATOM 674 CD GLU A 424 8.036 11.854 -5.605 1.00 0.00 C ATOM 675 OE1 GLU A 424 9.220 11.763 -5.991 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.164 12.507 -6.216 1.00 0.00 O ATOM 0 H GLU A 424 9.153 8.857 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 424 6.404 9.513 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.566 9.264 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.904 9.391 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.663 11.500 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.349 11.381 -3.542 1.00 0.00 H new ATOM 683 N ALA A 425 7.198 6.580 -4.004 1.00 0.00 N ATOM 684 CA ALA A 425 6.645 5.285 -4.385 1.00 0.00 C ATOM 685 C ALA A 425 5.792 4.715 -3.260 1.00 0.00 C ATOM 686 O ALA A 425 4.816 4.004 -3.499 1.00 0.00 O ATOM 687 CB ALA A 425 7.761 4.318 -4.753 1.00 0.00 C ATOM 0 H ALA A 425 8.216 6.635 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 425 6.009 5.426 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.331 3.357 -5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.330 4.721 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.422 4.183 -3.897 1.00 0.00 H new ATOM 693 N TYR A 426 6.168 5.048 -2.035 1.00 0.00 N ATOM 694 CA TYR A 426 5.444 4.593 -0.855 1.00 0.00 C ATOM 695 C TYR A 426 4.075 5.250 -0.793 1.00 0.00 C ATOM 696 O TYR A 426 3.057 4.592 -0.579 1.00 0.00 O ATOM 697 CB TYR A 426 6.223 4.954 0.408 1.00 0.00 C ATOM 698 CG TYR A 426 5.581 4.458 1.683 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.361 3.103 1.894 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.193 5.348 2.676 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.772 2.649 3.059 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.606 4.903 3.843 1.00 0.00 C ATOM 703 CZ TYR A 426 4.397 3.554 4.030 1.00 0.00 C ATOM 704 OH TYR A 426 3.811 3.106 5.192 1.00 0.00 O ATOM 0 H TYR A 426 6.976 5.636 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 426 5.327 3.511 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.229 4.541 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.327 6.038 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.655 2.393 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.353 6.406 2.532 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.606 1.592 3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.312 5.609 4.606 1.00 0.00 H new ATOM 0 HH TYR A 426 3.608 3.870 5.772 1.00 0.00 H new ATOM 714 N ILE A 427 4.075 6.563 -0.975 1.00 0.00 N ATOM 715 CA ILE A 427 2.856 7.348 -0.937 1.00 0.00 C ATOM 716 C ILE A 427 2.017 7.141 -2.196 1.00 0.00 C ATOM 717 O ILE A 427 0.788 7.163 -2.144 1.00 0.00 O ATOM 718 CB ILE A 427 3.188 8.844 -0.772 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.903 9.081 0.560 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.925 9.683 -0.856 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.179 9.882 0.429 1.00 0.00 C ATOM 0 H ILE A 427 4.918 7.109 -1.152 1.00 0.00 H new ATOM 0 HA ILE A 427 2.273 7.010 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 427 3.852 9.145 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.226 9.600 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.134 8.118 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.179 10.736 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.451 9.531 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.237 9.385 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.631 10.010 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.874 9.354 -0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.953 10.860 0.003 1.00 0.00 H new ATOM 733 N ALA A 428 2.687 6.941 -3.325 1.00 0.00 N ATOM 734 CA ALA A 428 1.997 6.734 -4.591 1.00 0.00 C ATOM 735 C ALA A 428 1.174 5.451 -4.563 1.00 0.00 C ATOM 736 O ALA A 428 0.010 5.440 -4.966 1.00 0.00 O ATOM 737 CB ALA A 428 2.996 6.699 -5.738 1.00 0.00 C ATOM 0 H ALA A 428 3.705 6.918 -3.389 1.00 0.00 H new ATOM 0 HA ALA A 428 1.314 7.569 -4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.466 6.544 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.537 7.645 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.702 5.884 -5.581 1.00 0.00 H new ATOM 743 N MET A 429 1.783 4.371 -4.083 1.00 0.00 N ATOM 744 CA MET A 429 1.101 3.084 -4.001 1.00 0.00 C ATOM 745 C MET A 429 -0.096 3.164 -3.061 1.00 0.00 C ATOM 746 O MET A 429 -1.135 2.550 -3.308 1.00 0.00 O ATOM 747 CB MET A 429 2.068 1.999 -3.523 1.00 0.00 C ATOM 748 CG MET A 429 3.108 1.610 -4.561 1.00 0.00 C ATOM 749 SD MET A 429 4.076 0.170 -4.069 1.00 0.00 S ATOM 750 CE MET A 429 4.765 0.739 -2.517 1.00 0.00 C ATOM 0 H MET A 429 2.746 4.361 -3.746 1.00 0.00 H new ATOM 0 HA MET A 429 0.742 2.827 -4.998 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.577 2.348 -2.624 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.498 1.113 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.610 1.402 -5.508 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.778 2.452 -4.732 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.499 0.017 -2.159 1.00 0.00 H new ATOM 0 HE2 MET A 429 5.248 1.705 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.968 0.842 -1.781 1.00 0.00 H new