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 -110:sc= -3.65 (180deg=-5.77!) 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 USER MOD Single : A 409 SER OG : rot -39:sc= 1.17 USER MOD Single : A 410 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 417 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 418 MET CE :methyl -125:sc= -3.14! (180deg=-7.81!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0147 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 -178:sc= -2.74 (180deg=-2.78) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.499 -4.536 -2.846 1.00 0.00 N ATOM 212 CA ILE A 395 5.849 -4.384 -2.316 1.00 0.00 C ATOM 213 C ILE A 395 6.302 -2.928 -2.384 1.00 0.00 C ATOM 214 O ILE A 395 5.905 -2.184 -3.281 1.00 0.00 O ATOM 215 CB ILE A 395 6.857 -5.262 -3.084 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.403 -6.723 -3.077 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.249 -5.133 -2.479 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.420 -7.355 -1.702 1.00 0.00 C ATOM 0 HA ILE A 395 5.820 -4.706 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 395 6.899 -4.917 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.393 -6.783 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.048 -7.299 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 395 8.947 -5.760 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.574 -4.094 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.224 -5.453 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.086 -8.390 -1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.433 -7.327 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.753 -6.804 -1.040 1.00 0.00 H new ATOM 230 N VAL A 396 7.135 -2.532 -1.430 1.00 0.00 N ATOM 231 CA VAL A 396 7.647 -1.168 -1.376 1.00 0.00 C ATOM 232 C VAL A 396 9.173 -1.161 -1.348 1.00 0.00 C ATOM 233 O VAL A 396 9.796 -2.018 -0.719 1.00 0.00 O ATOM 234 CB VAL A 396 7.115 -0.419 -0.136 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.604 -1.079 1.144 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.519 1.049 -0.179 1.00 0.00 C ATOM 0 H VAL A 396 7.471 -3.138 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 396 7.299 -0.658 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 396 6.026 -0.471 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.217 -0.534 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.253 -2.110 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.694 -1.066 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.134 1.558 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.606 1.127 -0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.107 1.514 -1.075 1.00 0.00 H new ATOM 246 N MET A 397 9.771 -0.192 -2.030 1.00 0.00 N ATOM 247 CA MET A 397 11.223 -0.082 -2.073 1.00 0.00 C ATOM 248 C MET A 397 11.738 0.705 -0.874 1.00 0.00 C ATOM 249 O MET A 397 11.476 1.901 -0.745 1.00 0.00 O ATOM 250 CB MET A 397 11.666 0.595 -3.372 1.00 0.00 C ATOM 251 CG MET A 397 11.374 -0.227 -4.617 1.00 0.00 C ATOM 252 SD MET A 397 12.620 -1.493 -4.923 1.00 0.00 S ATOM 253 CE MET A 397 12.029 -2.813 -3.867 1.00 0.00 C ATOM 0 H MET A 397 9.275 0.526 -2.559 1.00 0.00 H new ATOM 0 HA MET A 397 11.643 -1.087 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.166 1.560 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.736 0.794 -3.321 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.398 -0.701 -4.514 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.316 0.436 -5.480 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.709 -2.937 -3.024 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.034 -2.565 -3.497 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.984 -3.742 -4.436 1.00 0.00 H new ATOM 263 N VAL A 398 12.475 0.028 0.001 1.00 0.00 N ATOM 264 CA VAL A 398 13.029 0.669 1.189 1.00 0.00 C ATOM 265 C VAL A 398 14.551 0.610 1.180 1.00 0.00 C ATOM 266 O VAL A 398 15.141 -0.467 1.257 1.00 0.00 O ATOM 267 CB VAL A 398 12.512 0.012 2.482 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.874 0.862 3.691 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.009 -0.210 2.405 1.00 0.00 C ATOM 0 H VAL A 398 12.702 -0.962 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 398 12.703 1.709 1.166 1.00 0.00 H new ATOM 0 HB VAL A 398 12.992 -0.960 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.501 0.384 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.958 0.963 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.423 1.849 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.662 -0.675 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.506 0.748 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.780 -0.862 1.562 1.00 0.00 H new ATOM 279 N ALA A 399 15.183 1.775 1.083 1.00 0.00 N ATOM 280 CA ALA A 399 16.639 1.855 1.063 1.00 0.00 C ATOM 281 C ALA A 399 17.225 1.009 -0.066 1.00 0.00 C ATOM 282 O ALA A 399 18.388 0.610 -0.014 1.00 0.00 O ATOM 283 CB ALA A 399 17.210 1.414 2.403 1.00 0.00 C ATOM 0 H ALA A 399 14.710 2.676 1.017 1.00 0.00 H new ATOM 0 HA ALA A 399 16.916 2.894 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.298 1.479 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.829 2.062 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.913 0.385 2.604 1.00 0.00 H new ATOM 289 N GLY A 400 16.414 0.741 -1.086 1.00 0.00 N ATOM 290 CA GLY A 400 16.875 -0.053 -2.210 1.00 0.00 C ATOM 291 C GLY A 400 16.436 -1.504 -2.127 1.00 0.00 C ATOM 292 O GLY A 400 16.466 -2.222 -3.128 1.00 0.00 O ATOM 0 H GLY A 400 15.447 1.059 -1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.498 0.383 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.963 -0.010 -2.257 1.00 0.00 H new ATOM 296 N ARG A 401 16.030 -1.940 -0.938 1.00 0.00 N ATOM 297 CA ARG A 401 15.589 -3.317 -0.741 1.00 0.00 C ATOM 298 C ARG A 401 14.063 -3.407 -0.722 1.00 0.00 C ATOM 299 O ARG A 401 13.385 -2.491 -0.258 1.00 0.00 O ATOM 300 CB ARG A 401 16.161 -3.876 0.563 1.00 0.00 C ATOM 301 CG ARG A 401 17.473 -4.621 0.381 1.00 0.00 C ATOM 302 CD ARG A 401 17.252 -6.122 0.281 1.00 0.00 C ATOM 303 NE ARG A 401 18.484 -6.874 0.506 1.00 0.00 N ATOM 304 CZ ARG A 401 18.636 -8.159 0.195 1.00 0.00 C ATOM 305 NH1 ARG A 401 17.637 -8.839 -0.354 1.00 0.00 N ATOM 306 NH2 ARG A 401 19.790 -8.766 0.432 1.00 0.00 N ATOM 0 H ARG A 401 15.997 -1.361 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 401 15.958 -3.912 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.313 -3.056 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.430 -4.548 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.973 -4.265 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.135 -4.405 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 401 16.503 -6.427 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 401 16.854 -6.365 -0.704 1.00 0.00 H new ATOM 0 HE ARG A 401 19.274 -6.385 0.926 1.00 0.00 H new ATOM 0 HH11 ARG A 401 16.747 -8.377 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 401 17.759 -9.824 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 401 20.562 -8.248 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.907 -9.751 0.194 1.00 0.00 H new ATOM 320 N PRO A 402 13.502 -4.519 -1.233 1.00 0.00 N ATOM 321 CA PRO A 402 12.052 -4.725 -1.276 1.00 0.00 C ATOM 322 C PRO A 402 11.476 -5.112 0.083 1.00 0.00 C ATOM 323 O PRO A 402 12.037 -5.948 0.792 1.00 0.00 O ATOM 324 CB PRO A 402 11.897 -5.876 -2.268 1.00 0.00 C ATOM 325 CG PRO A 402 13.157 -6.658 -2.131 1.00 0.00 C ATOM 326 CD PRO A 402 14.240 -5.660 -1.811 1.00 0.00 C ATOM 0 HA PRO A 402 11.518 -3.818 -1.559 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.024 -6.486 -2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.767 -5.508 -3.286 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.068 -7.403 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.383 -7.196 -3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 402 14.965 -6.067 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.793 -5.369 -2.704 1.00 0.00 H new ATOM 334 N PHE A 403 10.352 -4.500 0.437 1.00 0.00 N ATOM 335 CA PHE A 403 9.692 -4.780 1.707 1.00 0.00 C ATOM 336 C PHE A 403 8.181 -4.628 1.576 1.00 0.00 C ATOM 337 O PHE A 403 7.692 -3.939 0.681 1.00 0.00 O ATOM 338 CB PHE A 403 10.215 -3.844 2.798 1.00 0.00 C ATOM 339 CG PHE A 403 11.630 -4.132 3.211 1.00 0.00 C ATOM 340 CD1 PHE A 403 11.901 -5.074 4.191 1.00 0.00 C ATOM 341 CD2 PHE A 403 12.688 -3.460 2.621 1.00 0.00 C ATOM 342 CE1 PHE A 403 13.202 -5.339 4.574 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.990 -3.721 3.000 1.00 0.00 C ATOM 344 CZ PHE A 403 14.248 -4.662 3.978 1.00 0.00 C ATOM 0 H PHE A 403 9.877 -3.805 -0.139 1.00 0.00 H new ATOM 0 HA PHE A 403 9.916 -5.810 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.151 -2.815 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.568 -3.921 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 403 11.087 -5.606 4.660 1.00 0.00 H new ATOM 0 HD2 PHE A 403 12.492 -2.723 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 403 13.401 -6.075 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 403 14.806 -3.190 2.532 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.265 -4.868 4.276 1.00 0.00 H new ATOM 354 N SER A 404 7.444 -5.272 2.473 1.00 0.00 N ATOM 355 CA SER A 404 5.988 -5.201 2.453 1.00 0.00 C ATOM 356 C SER A 404 5.514 -3.820 2.892 1.00 0.00 C ATOM 357 O SER A 404 6.069 -3.227 3.817 1.00 0.00 O ATOM 358 CB SER A 404 5.389 -6.274 3.363 1.00 0.00 C ATOM 359 OG SER A 404 5.788 -7.571 2.954 1.00 0.00 O ATOM 0 H SER A 404 7.829 -5.848 3.222 1.00 0.00 H new ATOM 0 HA SER A 404 5.651 -5.378 1.432 1.00 0.00 H new ATOM 0 HB2 SER A 404 5.705 -6.101 4.392 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.301 -6.203 3.347 1.00 0.00 H new ATOM 0 HG SER A 404 5.393 -8.239 3.553 1.00 0.00 H new ATOM 365 N TYR A 405 4.486 -3.309 2.223 1.00 0.00 N ATOM 366 CA TYR A 405 3.941 -1.995 2.546 1.00 0.00 C ATOM 367 C TYR A 405 3.485 -1.935 4.000 1.00 0.00 C ATOM 368 O TYR A 405 3.701 -0.938 4.688 1.00 0.00 O ATOM 369 CB TYR A 405 2.772 -1.661 1.617 1.00 0.00 C ATOM 370 CG TYR A 405 2.282 -0.237 1.749 1.00 0.00 C ATOM 371 CD1 TYR A 405 3.026 0.823 1.249 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.074 0.046 2.376 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.582 2.127 1.369 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.622 1.347 2.498 1.00 0.00 C ATOM 375 CZ TYR A 405 1.380 2.383 1.994 1.00 0.00 C ATOM 376 OH TYR A 405 0.934 3.678 2.115 1.00 0.00 O ATOM 0 H TYR A 405 4.013 -3.784 1.454 1.00 0.00 H new ATOM 0 HA TYR A 405 4.731 -1.258 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.077 -1.837 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 405 1.947 -2.341 1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.968 0.626 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.479 -0.763 2.774 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.173 2.940 0.975 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.320 1.551 2.986 1.00 0.00 H new ATOM 0 HH TYR A 405 0.071 3.685 2.579 1.00 0.00 H new ATOM 386 N SER A 406 2.855 -3.010 4.462 1.00 0.00 N ATOM 387 CA SER A 406 2.370 -3.080 5.835 1.00 0.00 C ATOM 388 C SER A 406 3.531 -3.075 6.825 1.00 0.00 C ATOM 389 O SER A 406 3.453 -2.455 7.885 1.00 0.00 O ATOM 390 CB SER A 406 1.522 -4.338 6.034 1.00 0.00 C ATOM 391 OG SER A 406 0.926 -4.354 7.320 1.00 0.00 O ATOM 0 H SER A 406 2.669 -3.844 3.906 1.00 0.00 H new ATOM 0 HA SER A 406 1.754 -2.200 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.746 -4.382 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.145 -5.224 5.907 1.00 0.00 H new ATOM 0 HG SER A 406 0.388 -5.167 7.421 1.00 0.00 H new ATOM 397 N GLU A 407 4.608 -3.771 6.471 1.00 0.00 N ATOM 398 CA GLU A 407 5.785 -3.847 7.329 1.00 0.00 C ATOM 399 C GLU A 407 6.408 -2.470 7.529 1.00 0.00 C ATOM 400 O GLU A 407 7.011 -2.193 8.566 1.00 0.00 O ATOM 401 CB GLU A 407 6.817 -4.806 6.734 1.00 0.00 C ATOM 402 CG GLU A 407 8.021 -5.038 7.633 1.00 0.00 C ATOM 403 CD GLU A 407 9.077 -5.912 6.982 1.00 0.00 C ATOM 404 OE1 GLU A 407 8.885 -6.307 5.813 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.097 -6.201 7.643 1.00 0.00 O ATOM 0 H GLU A 407 4.689 -4.290 5.597 1.00 0.00 H new ATOM 0 HA GLU A 407 5.467 -4.224 8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.336 -5.763 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.159 -4.411 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.463 -4.077 7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.692 -5.504 8.562 1.00 0.00 H new ATOM 412 N VAL A 408 6.257 -1.615 6.529 1.00 0.00 N ATOM 413 CA VAL A 408 6.801 -0.265 6.587 1.00 0.00 C ATOM 414 C VAL A 408 6.061 0.579 7.621 1.00 0.00 C ATOM 415 O VAL A 408 6.679 1.274 8.427 1.00 0.00 O ATOM 416 CB VAL A 408 6.722 0.431 5.213 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.318 1.830 5.278 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.420 -0.403 4.148 1.00 0.00 C ATOM 0 H VAL A 408 5.761 -1.832 5.665 1.00 0.00 H new ATOM 0 HA VAL A 408 7.848 -0.354 6.878 1.00 0.00 H new ATOM 0 HB VAL A 408 5.671 0.524 4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.251 2.300 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.767 2.427 6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.364 1.766 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.353 0.105 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.468 -0.534 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.939 -1.379 4.077 1.00 0.00 H new ATOM 428 N SER A 409 4.734 0.512 7.592 1.00 0.00 N ATOM 429 CA SER A 409 3.912 1.270 8.527 1.00 0.00 C ATOM 430 C SER A 409 4.166 0.825 9.962 1.00 0.00 C ATOM 431 O SER A 409 4.027 1.608 10.902 1.00 0.00 O ATOM 432 CB SER A 409 2.429 1.109 8.185 1.00 0.00 C ATOM 433 OG SER A 409 1.992 -0.218 8.424 1.00 0.00 O ATOM 0 H SER A 409 4.206 -0.059 6.932 1.00 0.00 H new ATOM 0 HA SER A 409 4.185 2.322 8.439 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.837 1.803 8.782 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.264 1.367 7.139 1.00 0.00 H new ATOM 0 HG SER A 409 2.691 -0.847 8.147 1.00 0.00 H new ATOM 439 N GLN A 410 4.541 -0.436 10.119 1.00 0.00 N ATOM 440 CA GLN A 410 4.821 -0.993 11.438 1.00 0.00 C ATOM 441 C GLN A 410 6.155 -0.487 11.973 1.00 0.00 C ATOM 442 O GLN A 410 6.367 -0.423 13.185 1.00 0.00 O ATOM 443 CB GLN A 410 4.827 -2.522 11.380 1.00 0.00 C ATOM 444 CG GLN A 410 3.466 -3.124 11.066 1.00 0.00 C ATOM 445 CD GLN A 410 3.478 -4.640 11.102 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.429 -5.248 12.171 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.543 -5.259 9.929 1.00 0.00 N ATOM 0 H GLN A 410 4.659 -1.095 9.350 1.00 0.00 H new ATOM 0 HA GLN A 410 4.033 -0.666 12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.542 -2.846 10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.176 -2.912 12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.734 -2.753 11.783 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.144 -2.790 10.080 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.582 -4.715 9.067 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.554 -6.278 9.890 1.00 0.00 H new ATOM 456 N ARG A 411 7.050 -0.129 11.062 1.00 0.00 N ATOM 457 CA ARG A 411 8.367 0.373 11.435 1.00 0.00 C ATOM 458 C ARG A 411 8.623 1.743 10.812 1.00 0.00 C ATOM 459 O ARG A 411 9.195 1.843 9.726 1.00 0.00 O ATOM 460 CB ARG A 411 9.452 -0.611 10.996 1.00 0.00 C ATOM 461 CG ARG A 411 9.530 -1.858 11.864 1.00 0.00 C ATOM 462 CD ARG A 411 10.438 -2.909 11.248 1.00 0.00 C ATOM 463 NE ARG A 411 10.450 -4.146 12.025 1.00 0.00 N ATOM 464 CZ ARG A 411 11.118 -4.298 13.165 1.00 0.00 C ATOM 465 NH1 ARG A 411 11.831 -3.296 13.665 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.075 -5.457 13.809 1.00 0.00 N ATOM 0 H ARG A 411 6.888 -0.177 10.056 1.00 0.00 H new ATOM 0 HA ARG A 411 8.397 0.476 12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.266 -0.908 9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.418 -0.106 11.013 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.900 -1.591 12.854 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.531 -2.272 11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.107 -3.123 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.452 -2.516 11.177 1.00 0.00 H new ATOM 0 HE ARG A 411 9.915 -4.940 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.869 -2.403 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 411 12.341 -3.420 14.540 1.00 0.00 H new ATOM 0 HH21 ARG A 411 10.530 -6.231 13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.587 -5.574 14.683 1.00 0.00 H new ATOM 480 N PRO A 412 8.202 2.821 11.494 1.00 0.00 N ATOM 481 CA PRO A 412 8.388 4.191 11.001 1.00 0.00 C ATOM 482 C PRO A 412 9.834 4.476 10.612 1.00 0.00 C ATOM 483 O PRO A 412 10.102 5.320 9.758 1.00 0.00 O ATOM 484 CB PRO A 412 7.974 5.057 12.193 1.00 0.00 C ATOM 485 CG PRO A 412 7.032 4.206 12.971 1.00 0.00 C ATOM 486 CD PRO A 412 7.510 2.791 12.797 1.00 0.00 C ATOM 0 HA PRO A 412 7.808 4.381 10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.838 5.343 12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.495 5.979 11.865 1.00 0.00 H new ATOM 0 HG2 PRO A 412 7.028 4.490 14.023 1.00 0.00 H new ATOM 0 HG3 PRO A 412 6.011 4.320 12.607 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.182 2.492 13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.680 2.084 12.795 1.00 0.00 H new ATOM 494 N GLU A 413 10.763 3.766 11.244 1.00 0.00 N ATOM 495 CA GLU A 413 12.183 3.946 10.963 1.00 0.00 C ATOM 496 C GLU A 413 12.501 3.596 9.514 1.00 0.00 C ATOM 497 O GLU A 413 13.439 4.133 8.926 1.00 0.00 O ATOM 498 CB GLU A 413 13.027 3.085 11.905 1.00 0.00 C ATOM 499 CG GLU A 413 14.523 3.319 11.767 1.00 0.00 C ATOM 500 CD GLU A 413 15.343 2.388 12.639 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.745 1.528 13.319 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.585 2.520 12.642 1.00 0.00 O ATOM 0 H GLU A 413 10.559 3.062 11.953 1.00 0.00 H new ATOM 0 HA GLU A 413 12.427 4.996 11.126 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.729 3.288 12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.813 2.034 11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.813 3.184 10.725 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.751 4.352 12.030 1.00 0.00 H new ATOM 509 N LEU A 414 11.710 2.696 8.946 1.00 0.00 N ATOM 510 CA LEU A 414 11.902 2.273 7.564 1.00 0.00 C ATOM 511 C LEU A 414 11.619 3.422 6.602 1.00 0.00 C ATOM 512 O LEU A 414 12.312 3.590 5.598 1.00 0.00 O ATOM 513 CB LEU A 414 10.995 1.084 7.240 1.00 0.00 C ATOM 514 CG LEU A 414 11.223 -0.157 8.103 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.340 -1.303 7.632 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.689 -0.565 8.075 1.00 0.00 C ATOM 0 H LEU A 414 10.928 2.244 9.421 1.00 0.00 H new ATOM 0 HA LEU A 414 12.942 1.969 7.444 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.957 1.398 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.138 0.812 6.194 1.00 0.00 H new ATOM 0 HG LEU A 414 10.954 0.084 9.131 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.515 -2.178 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.293 -1.009 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.578 -1.544 6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.832 -1.450 8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.985 -0.788 7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.301 0.251 8.460 1.00 0.00 H new ATOM 528 N VAL A 415 10.597 4.212 6.916 1.00 0.00 N ATOM 529 CA VAL A 415 10.226 5.346 6.081 1.00 0.00 C ATOM 530 C VAL A 415 11.349 6.376 6.034 1.00 0.00 C ATOM 531 O VAL A 415 11.604 6.984 4.995 1.00 0.00 O ATOM 532 CB VAL A 415 8.940 6.025 6.591 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.475 7.094 5.615 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.848 4.991 6.822 1.00 0.00 C ATOM 0 H VAL A 415 10.012 4.087 7.742 1.00 0.00 H new ATOM 0 HA VAL A 415 10.046 4.959 5.078 1.00 0.00 H new ATOM 0 HB VAL A 415 9.159 6.509 7.543 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.566 7.561 5.993 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.253 7.850 5.505 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.272 6.638 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.947 5.488 7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.630 4.477 5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.184 4.267 7.564 1.00 0.00 H new ATOM 544 N ALA A 416 12.019 6.564 7.168 1.00 0.00 N ATOM 545 CA ALA A 416 13.117 7.517 7.255 1.00 0.00 C ATOM 546 C ALA A 416 14.292 7.077 6.391 1.00 0.00 C ATOM 547 O ALA A 416 15.061 7.902 5.899 1.00 0.00 O ATOM 548 CB ALA A 416 13.555 7.687 8.703 1.00 0.00 C ATOM 0 H ALA A 416 11.820 6.069 8.037 1.00 0.00 H new ATOM 0 HA ALA A 416 12.764 8.478 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.376 8.402 8.753 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.717 8.054 9.296 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.886 6.726 9.098 1.00 0.00 H new ATOM 554 N GLN A 417 14.419 5.769 6.209 1.00 0.00 N ATOM 555 CA GLN A 417 15.494 5.207 5.402 1.00 0.00 C ATOM 556 C GLN A 417 15.175 5.309 3.911 1.00 0.00 C ATOM 557 O GLN A 417 16.064 5.191 3.068 1.00 0.00 O ATOM 558 CB GLN A 417 15.735 3.745 5.783 1.00 0.00 C ATOM 559 CG GLN A 417 16.196 3.560 7.219 1.00 0.00 C ATOM 560 CD GLN A 417 16.529 2.117 7.543 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.601 1.622 7.198 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.606 1.431 8.209 1.00 0.00 N ATOM 0 H GLN A 417 13.788 5.075 6.611 1.00 0.00 H new ATOM 0 HA GLN A 417 16.398 5.783 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.814 3.182 5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.483 3.322 5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.074 4.181 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.416 3.910 7.895 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.730 1.881 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 417 15.773 0.455 8.453 1.00 0.00 H new ATOM 571 N MET A 418 13.902 5.524 3.594 1.00 0.00 N ATOM 572 CA MET A 418 13.467 5.639 2.207 1.00 0.00 C ATOM 573 C MET A 418 13.917 6.961 1.596 1.00 0.00 C ATOM 574 O MET A 418 13.736 8.024 2.189 1.00 0.00 O ATOM 575 CB MET A 418 11.946 5.523 2.117 1.00 0.00 C ATOM 576 CG MET A 418 11.446 4.090 2.047 1.00 0.00 C ATOM 577 SD MET A 418 9.756 3.975 1.430 1.00 0.00 S ATOM 578 CE MET A 418 9.003 2.963 2.701 1.00 0.00 C ATOM 0 H MET A 418 13.153 5.622 4.280 1.00 0.00 H new ATOM 0 HA MET A 418 13.926 4.825 1.646 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.501 6.012 2.984 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.601 6.062 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.105 3.510 1.401 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.498 3.642 3.039 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.539 2.089 2.243 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.766 2.640 3.409 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.244 3.543 3.226 1.00 0.00 H new ATOM 588 N THR A 419 14.494 6.888 0.400 1.00 0.00 N ATOM 589 CA THR A 419 14.958 8.081 -0.298 1.00 0.00 C ATOM 590 C THR A 419 13.767 8.854 -0.864 1.00 0.00 C ATOM 591 O THR A 419 12.633 8.380 -0.805 1.00 0.00 O ATOM 592 CB THR A 419 15.926 7.700 -1.423 1.00 0.00 C ATOM 593 OG1 THR A 419 15.218 7.325 -2.592 1.00 0.00 O ATOM 594 CG2 THR A 419 16.848 6.554 -1.061 1.00 0.00 C ATOM 0 H THR A 419 14.651 6.016 -0.105 1.00 0.00 H new ATOM 0 HA THR A 419 15.486 8.718 0.412 1.00 0.00 H new ATOM 0 HB THR A 419 16.529 8.592 -1.594 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.855 7.087 -3.298 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.506 6.337 -1.902 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.447 6.829 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.255 5.670 -0.827 1.00 0.00 H new ATOM 602 N PRO A 420 14.000 10.056 -1.417 1.00 0.00 N ATOM 603 CA PRO A 420 12.925 10.877 -1.981 1.00 0.00 C ATOM 604 C PRO A 420 12.086 10.111 -2.998 1.00 0.00 C ATOM 605 O PRO A 420 10.869 10.002 -2.851 1.00 0.00 O ATOM 606 CB PRO A 420 13.670 12.032 -2.654 1.00 0.00 C ATOM 607 CG PRO A 420 14.965 12.121 -1.922 1.00 0.00 C ATOM 608 CD PRO A 420 15.315 10.712 -1.532 1.00 0.00 C ATOM 0 HA PRO A 420 12.217 11.202 -1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.827 11.838 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.108 12.963 -2.580 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.741 12.556 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.874 12.759 -1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.941 10.230 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.864 10.680 -0.591 1.00 0.00 H new ATOM 616 N GLU A 421 12.740 9.569 -4.019 1.00 0.00 N ATOM 617 CA GLU A 421 12.040 8.803 -5.042 1.00 0.00 C ATOM 618 C GLU A 421 11.338 7.611 -4.408 1.00 0.00 C ATOM 619 O GLU A 421 10.205 7.282 -4.759 1.00 0.00 O ATOM 620 CB GLU A 421 13.018 8.327 -6.119 1.00 0.00 C ATOM 621 CG GLU A 421 13.661 9.462 -6.900 1.00 0.00 C ATOM 622 CD GLU A 421 14.560 8.966 -8.016 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.683 8.511 -7.714 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.141 9.031 -9.190 1.00 0.00 O ATOM 0 H GLU A 421 13.747 9.645 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 421 11.296 9.446 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.801 7.731 -5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.491 7.672 -6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.881 10.096 -7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.243 10.083 -6.219 1.00 0.00 H new ATOM 631 N GLU A 422 12.016 6.978 -3.456 1.00 0.00 N ATOM 632 CA GLU A 422 11.455 5.834 -2.754 1.00 0.00 C ATOM 633 C GLU A 422 10.245 6.261 -1.934 1.00 0.00 C ATOM 634 O GLU A 422 9.282 5.508 -1.791 1.00 0.00 O ATOM 635 CB GLU A 422 12.508 5.193 -1.846 1.00 0.00 C ATOM 636 CG GLU A 422 13.536 4.363 -2.598 1.00 0.00 C ATOM 637 CD GLU A 422 14.585 3.762 -1.682 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.654 4.176 -0.506 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.336 2.877 -2.142 1.00 0.00 O ATOM 0 H GLU A 422 12.955 7.240 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 422 11.138 5.097 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.022 5.977 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.007 4.560 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.028 3.563 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.026 4.988 -3.344 1.00 0.00 H new ATOM 646 N LYS A 423 10.296 7.482 -1.405 1.00 0.00 N ATOM 647 CA LYS A 423 9.196 8.011 -0.612 1.00 0.00 C ATOM 648 C LYS A 423 7.952 8.162 -1.476 1.00 0.00 C ATOM 649 O LYS A 423 6.833 7.926 -1.022 1.00 0.00 O ATOM 650 CB LYS A 423 9.579 9.360 -0.001 1.00 0.00 C ATOM 651 CG LYS A 423 8.526 9.922 0.940 1.00 0.00 C ATOM 652 CD LYS A 423 8.509 9.177 2.264 1.00 0.00 C ATOM 653 CE LYS A 423 7.511 9.789 3.234 1.00 0.00 C ATOM 654 NZ LYS A 423 8.079 10.966 3.947 1.00 0.00 N ATOM 0 H LYS A 423 11.085 8.119 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 423 8.982 7.311 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.518 9.250 0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.756 10.076 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.723 10.979 1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.544 9.855 0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 423 8.256 8.131 2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.505 9.195 2.706 1.00 0.00 H new ATOM 0 HE2 LYS A 423 6.616 10.091 2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.204 9.037 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.367 11.354 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 8.919 10.673 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.348 11.694 3.255 1.00 0.00 H new ATOM 668 N GLU A 424 8.159 8.552 -2.731 1.00 0.00 N ATOM 669 CA GLU A 424 7.059 8.729 -3.666 1.00 0.00 C ATOM 670 C GLU A 424 6.353 7.403 -3.921 1.00 0.00 C ATOM 671 O GLU A 424 5.127 7.325 -3.871 1.00 0.00 O ATOM 672 CB GLU A 424 7.573 9.316 -4.984 1.00 0.00 C ATOM 673 CG GLU A 424 7.764 10.823 -4.944 1.00 0.00 C ATOM 674 CD GLU A 424 8.235 11.388 -6.270 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.628 10.593 -7.149 1.00 0.00 O ATOM 676 OE2 GLU A 424 8.211 12.628 -6.429 1.00 0.00 O ATOM 0 H GLU A 424 9.080 8.751 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 424 6.342 9.423 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.523 8.844 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.872 9.068 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.823 11.297 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.489 11.073 -4.169 1.00 0.00 H new ATOM 683 N ALA A 425 7.134 6.358 -4.182 1.00 0.00 N ATOM 684 CA ALA A 425 6.572 5.035 -4.431 1.00 0.00 C ATOM 685 C ALA A 425 5.764 4.562 -3.230 1.00 0.00 C ATOM 686 O ALA A 425 4.796 3.816 -3.369 1.00 0.00 O ATOM 687 CB ALA A 425 7.677 4.042 -4.758 1.00 0.00 C ATOM 0 H ALA A 425 8.152 6.402 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 425 5.903 5.100 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.241 3.060 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.212 4.373 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.371 3.980 -3.919 1.00 0.00 H new ATOM 693 N TYR A 426 6.168 5.020 -2.055 1.00 0.00 N ATOM 694 CA TYR A 426 5.488 4.670 -0.814 1.00 0.00 C ATOM 695 C TYR A 426 4.125 5.339 -0.757 1.00 0.00 C ATOM 696 O TYR A 426 3.124 4.725 -0.391 1.00 0.00 O ATOM 697 CB TYR A 426 6.316 5.132 0.382 1.00 0.00 C ATOM 698 CG TYR A 426 5.691 4.805 1.720 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.659 3.500 2.197 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.133 5.805 2.505 1.00 0.00 C ATOM 701 CE1 TYR A 426 5.088 3.204 3.421 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.561 5.518 3.728 1.00 0.00 C ATOM 703 CZ TYR A 426 4.540 4.215 4.182 1.00 0.00 C ATOM 704 OH TYR A 426 3.970 3.924 5.400 1.00 0.00 O ATOM 0 H TYR A 426 6.969 5.639 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 426 5.365 3.587 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.302 4.670 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.465 6.210 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 426 6.086 2.706 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.147 6.826 2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 426 5.071 2.185 3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.132 6.309 4.326 1.00 0.00 H new ATOM 0 HH TYR A 426 3.632 4.748 5.808 1.00 0.00 H new ATOM 714 N ILE A 427 4.114 6.615 -1.111 1.00 0.00 N ATOM 715 CA ILE A 427 2.901 7.409 -1.096 1.00 0.00 C ATOM 716 C ILE A 427 2.020 7.116 -2.307 1.00 0.00 C ATOM 717 O ILE A 427 0.793 7.128 -2.208 1.00 0.00 O ATOM 718 CB ILE A 427 3.248 8.910 -1.056 1.00 0.00 C ATOM 719 CG1 ILE A 427 4.049 9.226 0.208 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.983 9.747 -1.113 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.408 10.689 0.350 1.00 0.00 C ATOM 0 H ILE A 427 4.943 7.125 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 427 2.343 7.139 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 427 3.858 9.156 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.473 8.916 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.965 8.635 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.245 10.805 -1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.445 9.532 -2.036 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.349 9.507 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 427 4.975 10.837 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.012 11.000 -0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 427 3.496 11.285 0.386 1.00 0.00 H new ATOM 733 N ALA A 428 2.648 6.857 -3.446 1.00 0.00 N ATOM 734 CA ALA A 428 1.910 6.567 -4.668 1.00 0.00 C ATOM 735 C ALA A 428 1.171 5.238 -4.560 1.00 0.00 C ATOM 736 O ALA A 428 0.050 5.098 -5.049 1.00 0.00 O ATOM 737 CB ALA A 428 2.851 6.557 -5.864 1.00 0.00 C ATOM 0 H ALA A 428 3.663 6.842 -3.549 1.00 0.00 H new ATOM 0 HA ALA A 428 1.169 7.353 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.286 6.339 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.328 7.532 -5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.614 5.792 -5.720 1.00 0.00 H new ATOM 743 N MET A 429 1.806 4.264 -3.915 1.00 0.00 N ATOM 744 CA MET A 429 1.207 2.946 -3.741 1.00 0.00 C ATOM 745 C MET A 429 -0.081 3.036 -2.929 1.00 0.00 C ATOM 746 O MET A 429 -1.047 2.321 -3.199 1.00 0.00 O ATOM 747 CB MET A 429 2.195 2.003 -3.049 1.00 0.00 C ATOM 748 CG MET A 429 3.298 1.497 -3.966 1.00 0.00 C ATOM 749 SD MET A 429 4.695 0.809 -3.056 1.00 0.00 S ATOM 750 CE MET A 429 3.921 -0.591 -2.253 1.00 0.00 C ATOM 0 H MET A 429 2.735 4.363 -3.505 1.00 0.00 H new ATOM 0 HA MET A 429 0.966 2.550 -4.728 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.647 2.521 -2.203 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.649 1.150 -2.646 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.892 0.735 -4.631 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.647 2.316 -4.595 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.651 -1.099 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A 429 3.090 -0.244 -1.638 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.549 -1.284 -3.008 1.00 0.00 H new