USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 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 Set 1.1: A 406 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 397 MET CE :methyl -159:sc= -2.93 (180deg=-3.71!) 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 409 SER OG : rot 180:sc= 0 USER MOD Single : A 417 GLN : amide:sc= -0.469 K(o=-0.47,f=-3!) USER MOD Single : A 418 MET CE :methyl -154:sc= -2.24! (180deg=-3.45!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00744 USER MOD Single : A 423 LYS NZ :NH3+ -160:sc=-0.00618 (180deg=-0.209) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -122:sc= -3.41! (180deg=-4.11!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.701 -5.063 -2.626 1.00 0.00 N ATOM 212 CA ILE A 395 6.058 -4.831 -2.146 1.00 0.00 C ATOM 213 C ILE A 395 6.456 -3.369 -2.311 1.00 0.00 C ATOM 214 O ILE A 395 6.090 -2.721 -3.292 1.00 0.00 O ATOM 215 CB ILE A 395 7.078 -5.719 -2.887 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.669 -7.190 -2.795 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.477 -5.516 -2.320 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.725 -7.745 -1.387 1.00 0.00 C ATOM 0 HA ILE A 395 6.067 -5.090 -1.087 1.00 0.00 H new ATOM 0 HB ILE A 395 7.090 -5.428 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.656 -7.302 -3.181 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.322 -7.781 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.182 -6.151 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.768 -4.472 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.483 -5.779 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.422 -8.792 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.743 -7.665 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.050 -7.178 -0.745 1.00 0.00 H new ATOM 230 N VAL A 396 7.209 -2.858 -1.345 1.00 0.00 N ATOM 231 CA VAL A 396 7.666 -1.474 -1.377 1.00 0.00 C ATOM 232 C VAL A 396 9.189 -1.408 -1.347 1.00 0.00 C ATOM 233 O VAL A 396 9.840 -2.171 -0.634 1.00 0.00 O ATOM 234 CB VAL A 396 7.098 -0.671 -0.187 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.576 -1.254 1.134 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.474 0.799 -0.298 1.00 0.00 C ATOM 0 H VAL A 396 7.517 -3.383 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 396 7.303 -1.033 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 396 6.011 -0.744 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.164 -0.673 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.243 -2.288 1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.665 -1.219 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.063 1.345 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.560 0.898 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.069 1.209 -1.223 1.00 0.00 H new ATOM 246 N MET A 397 9.755 -0.493 -2.127 1.00 0.00 N ATOM 247 CA MET A 397 11.203 -0.335 -2.183 1.00 0.00 C ATOM 248 C MET A 397 11.696 0.538 -1.034 1.00 0.00 C ATOM 249 O MET A 397 11.396 1.730 -0.973 1.00 0.00 O ATOM 250 CB MET A 397 11.619 0.275 -3.522 1.00 0.00 C ATOM 251 CG MET A 397 11.781 -0.750 -4.632 1.00 0.00 C ATOM 252 SD MET A 397 13.244 -1.782 -4.417 1.00 0.00 S ATOM 253 CE MET A 397 12.493 -3.334 -3.929 1.00 0.00 C ATOM 0 H MET A 397 9.235 0.148 -2.727 1.00 0.00 H new ATOM 0 HA MET A 397 11.658 -1.321 -2.087 1.00 0.00 H new ATOM 0 HB2 MET A 397 10.874 1.011 -3.824 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.560 0.809 -3.392 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.896 -1.385 -4.667 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.842 -0.235 -5.591 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.230 -3.947 -3.410 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.651 -3.138 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.141 -3.862 -4.815 1.00 0.00 H new ATOM 263 N VAL A 398 12.459 -0.063 -0.127 1.00 0.00 N ATOM 264 CA VAL A 398 12.999 0.658 1.019 1.00 0.00 C ATOM 265 C VAL A 398 14.510 0.818 0.897 1.00 0.00 C ATOM 266 O VAL A 398 15.260 -0.145 1.061 1.00 0.00 O ATOM 267 CB VAL A 398 12.677 -0.065 2.341 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.116 0.774 3.531 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.194 -0.385 2.424 1.00 0.00 C ATOM 0 H VAL A 398 12.717 -1.049 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 398 12.528 1.641 1.028 1.00 0.00 H new ATOM 0 HB VAL A 398 13.231 -1.003 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.880 0.246 4.455 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.191 0.948 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.592 1.730 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.984 -0.896 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.619 0.540 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.914 -1.029 1.591 1.00 0.00 H new ATOM 279 N ALA A 399 14.951 2.036 0.607 1.00 0.00 N ATOM 280 CA ALA A 399 16.375 2.318 0.461 1.00 0.00 C ATOM 281 C ALA A 399 17.012 1.418 -0.595 1.00 0.00 C ATOM 282 O ALA A 399 18.223 1.193 -0.583 1.00 0.00 O ATOM 283 CB ALA A 399 17.084 2.151 1.795 1.00 0.00 C ATOM 0 H ALA A 399 14.344 2.844 0.468 1.00 0.00 H new ATOM 0 HA ALA A 399 16.482 3.351 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.146 2.364 1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.657 2.841 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.958 1.128 2.148 1.00 0.00 H new ATOM 289 N GLY A 400 16.192 0.905 -1.508 1.00 0.00 N ATOM 290 CA GLY A 400 16.699 0.037 -2.556 1.00 0.00 C ATOM 291 C GLY A 400 16.364 -1.425 -2.326 1.00 0.00 C ATOM 292 O GLY A 400 16.382 -2.225 -3.261 1.00 0.00 O ATOM 0 H GLY A 400 15.187 1.075 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.286 0.353 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.781 0.150 -2.623 1.00 0.00 H new ATOM 296 N ARG A 401 16.058 -1.778 -1.080 1.00 0.00 N ATOM 297 CA ARG A 401 15.721 -3.156 -0.739 1.00 0.00 C ATOM 298 C ARG A 401 14.208 -3.358 -0.699 1.00 0.00 C ATOM 299 O ARG A 401 13.465 -2.457 -0.307 1.00 0.00 O ATOM 300 CB ARG A 401 16.335 -3.535 0.610 1.00 0.00 C ATOM 301 CG ARG A 401 17.782 -3.991 0.513 1.00 0.00 C ATOM 302 CD ARG A 401 18.493 -3.876 1.851 1.00 0.00 C ATOM 303 NE ARG A 401 18.510 -5.146 2.575 1.00 0.00 N ATOM 304 CZ ARG A 401 18.917 -5.275 3.835 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.341 -4.217 4.515 1.00 0.00 N ATOM 306 NH2 ARG A 401 18.899 -6.467 4.418 1.00 0.00 N ATOM 0 H ARG A 401 16.037 -1.130 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 401 16.133 -3.804 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.277 -2.677 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.741 -4.331 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.817 -5.025 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.305 -3.390 -0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 401 19.516 -3.537 1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.999 -3.119 2.460 1.00 0.00 H new ATOM 0 HE ARG A 401 18.191 -5.982 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.356 -3.298 4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 401 19.652 -4.322 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.573 -7.283 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.211 -6.567 5.384 1.00 0.00 H new ATOM 320 N PRO A 402 13.729 -4.547 -1.106 1.00 0.00 N ATOM 321 CA PRO A 402 12.296 -4.862 -1.117 1.00 0.00 C ATOM 322 C PRO A 402 11.750 -5.147 0.279 1.00 0.00 C ATOM 323 O PRO A 402 12.368 -5.864 1.066 1.00 0.00 O ATOM 324 CB PRO A 402 12.224 -6.117 -1.984 1.00 0.00 C ATOM 325 CG PRO A 402 13.542 -6.783 -1.788 1.00 0.00 C ATOM 326 CD PRO A 402 14.545 -5.678 -1.592 1.00 0.00 C ATOM 0 HA PRO A 402 11.697 -4.030 -1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.403 -6.765 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 402 12.058 -5.866 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.519 -7.446 -0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.801 -7.395 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.313 -5.957 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.057 -5.432 -2.522 1.00 0.00 H new ATOM 334 N PHE A 403 10.583 -4.584 0.575 1.00 0.00 N ATOM 335 CA PHE A 403 9.942 -4.776 1.871 1.00 0.00 C ATOM 336 C PHE A 403 8.425 -4.739 1.732 1.00 0.00 C ATOM 337 O PHE A 403 7.894 -4.168 0.782 1.00 0.00 O ATOM 338 CB PHE A 403 10.400 -3.702 2.857 1.00 0.00 C ATOM 339 CG PHE A 403 11.783 -3.932 3.398 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.891 -3.439 2.731 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.972 -4.642 4.573 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.164 -3.648 3.226 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.243 -4.854 5.074 1.00 0.00 C ATOM 344 CZ PHE A 403 14.340 -4.357 4.399 1.00 0.00 C ATOM 0 H PHE A 403 10.060 -3.989 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 403 10.234 -5.754 2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.369 -2.731 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.696 -3.660 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.759 -2.885 1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 403 11.117 -5.034 5.103 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.021 -3.258 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.377 -5.407 5.992 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.334 -4.522 4.787 1.00 0.00 H new ATOM 354 N SER A 404 7.729 -5.349 2.686 1.00 0.00 N ATOM 355 CA SER A 404 6.273 -5.377 2.663 1.00 0.00 C ATOM 356 C SER A 404 5.704 -4.010 3.029 1.00 0.00 C ATOM 357 O SER A 404 6.198 -3.346 3.941 1.00 0.00 O ATOM 358 CB SER A 404 5.746 -6.439 3.630 1.00 0.00 C ATOM 359 OG SER A 404 6.222 -7.728 3.282 1.00 0.00 O ATOM 0 H SER A 404 8.149 -5.829 3.482 1.00 0.00 H new ATOM 0 HA SER A 404 5.952 -5.629 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.056 -6.196 4.646 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.656 -6.436 3.620 1.00 0.00 H new ATOM 0 HG SER A 404 5.872 -8.388 3.916 1.00 0.00 H new ATOM 365 N TYR A 405 4.665 -3.593 2.313 1.00 0.00 N ATOM 366 CA TYR A 405 4.034 -2.302 2.565 1.00 0.00 C ATOM 367 C TYR A 405 3.537 -2.210 4.004 1.00 0.00 C ATOM 368 O TYR A 405 3.698 -1.182 4.662 1.00 0.00 O ATOM 369 CB TYR A 405 2.871 -2.081 1.597 1.00 0.00 C ATOM 370 CG TYR A 405 2.271 -0.695 1.682 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.931 0.402 1.144 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.045 -0.485 2.302 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.387 1.670 1.221 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.494 0.779 2.382 1.00 0.00 C ATOM 375 CZ TYR A 405 1.168 1.853 1.840 1.00 0.00 C ATOM 376 OH TYR A 405 0.623 3.114 1.918 1.00 0.00 O ATOM 0 H TYR A 405 4.243 -4.129 1.555 1.00 0.00 H new ATOM 0 HA TYR A 405 4.782 -1.525 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.218 -2.256 0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.094 -2.818 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.885 0.262 0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.515 -1.324 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.913 2.513 0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.460 0.925 2.867 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.238 3.070 2.383 1.00 0.00 H new ATOM 386 N SER A 406 2.936 -3.292 4.489 1.00 0.00 N ATOM 387 CA SER A 406 2.419 -3.332 5.851 1.00 0.00 C ATOM 388 C SER A 406 3.552 -3.220 6.865 1.00 0.00 C ATOM 389 O SER A 406 3.403 -2.584 7.909 1.00 0.00 O ATOM 390 CB SER A 406 1.636 -4.626 6.083 1.00 0.00 C ATOM 391 OG SER A 406 0.996 -4.615 7.348 1.00 0.00 O ATOM 0 H SER A 406 2.795 -4.152 3.959 1.00 0.00 H new ATOM 0 HA SER A 406 1.750 -2.482 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.892 -4.750 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.311 -5.479 6.021 1.00 0.00 H new ATOM 0 HG SER A 406 0.501 -5.452 7.472 1.00 0.00 H new ATOM 397 N GLU A 407 4.683 -3.843 6.552 1.00 0.00 N ATOM 398 CA GLU A 407 5.842 -3.815 7.437 1.00 0.00 C ATOM 399 C GLU A 407 6.389 -2.400 7.577 1.00 0.00 C ATOM 400 O GLU A 407 6.961 -2.042 8.606 1.00 0.00 O ATOM 401 CB GLU A 407 6.935 -4.748 6.913 1.00 0.00 C ATOM 402 CG GLU A 407 8.127 -4.877 7.849 1.00 0.00 C ATOM 403 CD GLU A 407 9.241 -5.724 7.266 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.105 -6.170 6.106 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.250 -5.942 7.969 1.00 0.00 O ATOM 0 H GLU A 407 4.822 -4.374 5.692 1.00 0.00 H new ATOM 0 HA GLU A 407 5.522 -4.159 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.507 -5.736 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.281 -4.382 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.513 -3.884 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.798 -5.316 8.791 1.00 0.00 H new ATOM 412 N VAL A 408 6.208 -1.602 6.535 1.00 0.00 N ATOM 413 CA VAL A 408 6.680 -0.223 6.536 1.00 0.00 C ATOM 414 C VAL A 408 5.887 0.627 7.524 1.00 0.00 C ATOM 415 O VAL A 408 6.460 1.371 8.319 1.00 0.00 O ATOM 416 CB VAL A 408 6.578 0.408 5.132 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.132 1.826 5.134 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.301 -0.452 4.103 1.00 0.00 C ATOM 0 H VAL A 408 5.737 -1.885 5.676 1.00 0.00 H new ATOM 0 HA VAL A 408 7.727 -0.246 6.839 1.00 0.00 H new ATOM 0 HB VAL A 408 5.524 0.457 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.049 2.250 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.564 2.437 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.180 1.807 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.217 0.010 3.119 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.353 -0.538 4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.851 -1.444 4.077 1.00 0.00 H new ATOM 428 N SER A 409 4.563 0.510 7.468 1.00 0.00 N ATOM 429 CA SER A 409 3.692 1.267 8.358 1.00 0.00 C ATOM 430 C SER A 409 3.932 0.884 9.812 1.00 0.00 C ATOM 431 O SER A 409 3.778 1.704 10.718 1.00 0.00 O ATOM 432 CB SER A 409 2.225 1.036 7.991 1.00 0.00 C ATOM 433 OG SER A 409 1.370 1.871 8.754 1.00 0.00 O ATOM 0 H SER A 409 4.072 -0.101 6.816 1.00 0.00 H new ATOM 0 HA SER A 409 3.926 2.325 8.238 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.077 1.233 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.965 -0.009 8.161 1.00 0.00 H new ATOM 0 HG SER A 409 0.438 1.705 8.499 1.00 0.00 H new ATOM 439 N GLN A 410 4.311 -0.367 10.025 1.00 0.00 N ATOM 440 CA GLN A 410 4.578 -0.870 11.368 1.00 0.00 C ATOM 441 C GLN A 410 5.900 -0.330 11.900 1.00 0.00 C ATOM 442 O GLN A 410 6.092 -0.204 13.109 1.00 0.00 O ATOM 443 CB GLN A 410 4.598 -2.400 11.371 1.00 0.00 C ATOM 444 CG GLN A 410 3.242 -3.025 11.088 1.00 0.00 C ATOM 445 CD GLN A 410 3.269 -4.539 11.178 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.247 -5.108 12.269 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.316 -5.199 10.027 1.00 0.00 N ATOM 0 H GLN A 410 4.441 -1.056 9.284 1.00 0.00 H new ATOM 0 HA GLN A 410 3.777 -0.525 12.022 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.312 -2.747 10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.955 -2.749 12.340 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.511 -2.635 11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.910 -2.729 10.093 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.333 -4.686 9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.335 -6.219 10.024 1.00 0.00 H new ATOM 456 N ARG A 411 6.808 -0.015 10.986 1.00 0.00 N ATOM 457 CA ARG A 411 8.117 0.512 11.355 1.00 0.00 C ATOM 458 C ARG A 411 8.377 1.849 10.665 1.00 0.00 C ATOM 459 O ARG A 411 8.997 1.898 9.602 1.00 0.00 O ATOM 460 CB ARG A 411 9.212 -0.489 10.984 1.00 0.00 C ATOM 461 CG ARG A 411 9.273 -1.693 11.909 1.00 0.00 C ATOM 462 CD ARG A 411 10.643 -2.352 11.874 1.00 0.00 C ATOM 463 NE ARG A 411 10.666 -3.522 10.997 1.00 0.00 N ATOM 464 CZ ARG A 411 11.661 -4.405 10.965 1.00 0.00 C ATOM 465 NH1 ARG A 411 12.715 -4.257 11.759 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.602 -5.440 10.138 1.00 0.00 N ATOM 0 H ARG A 411 6.663 -0.115 9.981 1.00 0.00 H new ATOM 0 HA ARG A 411 8.130 0.672 12.433 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.047 -0.833 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.177 0.018 10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.043 -1.382 12.928 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.512 -2.417 11.617 1.00 0.00 H new ATOM 0 HD2 ARG A 411 11.384 -1.629 11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 411 10.928 -2.650 12.883 1.00 0.00 H new ATOM 0 HE ARG A 411 9.873 -3.670 10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 411 12.765 -3.463 12.398 1.00 0.00 H new ATOM 0 HH12 ARG A 411 13.475 -4.937 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 411 10.794 -5.559 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 411 12.364 -6.117 10.113 1.00 0.00 H new ATOM 480 N PRO A 412 7.906 2.956 11.264 1.00 0.00 N ATOM 481 CA PRO A 412 8.090 4.298 10.701 1.00 0.00 C ATOM 482 C PRO A 412 9.548 4.588 10.358 1.00 0.00 C ATOM 483 O PRO A 412 9.839 5.393 9.473 1.00 0.00 O ATOM 484 CB PRO A 412 7.611 5.222 11.821 1.00 0.00 C ATOM 485 CG PRO A 412 6.647 4.400 12.605 1.00 0.00 C ATOM 486 CD PRO A 412 7.156 2.987 12.534 1.00 0.00 C ATOM 0 HA PRO A 412 7.547 4.425 9.764 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.443 5.556 12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.134 6.116 11.420 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.591 4.743 13.638 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.642 4.474 12.189 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.795 2.747 13.384 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.339 2.265 12.536 1.00 0.00 H new ATOM 494 N GLU A 413 10.461 3.928 11.063 1.00 0.00 N ATOM 495 CA GLU A 413 11.888 4.118 10.832 1.00 0.00 C ATOM 496 C GLU A 413 12.272 3.701 9.417 1.00 0.00 C ATOM 497 O GLU A 413 13.218 4.233 8.836 1.00 0.00 O ATOM 498 CB GLU A 413 12.703 3.321 11.852 1.00 0.00 C ATOM 499 CG GLU A 413 14.200 3.577 11.768 1.00 0.00 C ATOM 500 CD GLU A 413 14.997 2.708 12.723 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.385 1.869 13.416 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.234 2.868 12.776 1.00 0.00 O ATOM 0 H GLU A 413 10.238 3.257 11.798 1.00 0.00 H new ATOM 0 HA GLU A 413 12.110 5.178 10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.356 3.569 12.855 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.516 2.258 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.539 3.395 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.398 4.626 11.987 1.00 0.00 H new ATOM 509 N LEU A 414 11.530 2.748 8.871 1.00 0.00 N ATOM 510 CA LEU A 414 11.788 2.257 7.522 1.00 0.00 C ATOM 511 C LEU A 414 11.523 3.349 6.490 1.00 0.00 C ATOM 512 O LEU A 414 12.237 3.461 5.494 1.00 0.00 O ATOM 513 CB LEU A 414 10.917 1.035 7.224 1.00 0.00 C ATOM 514 CG LEU A 414 11.150 -0.168 8.141 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.337 -1.365 7.669 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.630 -0.516 8.198 1.00 0.00 C ATOM 0 H LEU A 414 10.744 2.298 9.340 1.00 0.00 H new ATOM 0 HA LEU A 414 12.837 1.968 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.870 1.329 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.092 0.726 6.194 1.00 0.00 H new ATOM 0 HG LEU A 414 10.820 0.096 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.515 -2.211 8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.277 -1.112 7.680 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.636 -1.631 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.777 -1.374 8.855 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.985 -0.760 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.190 0.336 8.584 1.00 0.00 H new ATOM 528 N VAL A 415 10.493 4.151 6.738 1.00 0.00 N ATOM 529 CA VAL A 415 10.135 5.235 5.832 1.00 0.00 C ATOM 530 C VAL A 415 11.252 6.269 5.751 1.00 0.00 C ATOM 531 O VAL A 415 11.526 6.820 4.685 1.00 0.00 O ATOM 532 CB VAL A 415 8.835 5.931 6.275 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.389 6.947 5.234 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.741 4.905 6.532 1.00 0.00 C ATOM 0 H VAL A 415 9.892 4.071 7.558 1.00 0.00 H new ATOM 0 HA VAL A 415 9.981 4.791 4.849 1.00 0.00 H new ATOM 0 HB VAL A 415 9.030 6.463 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.469 7.428 5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.166 7.701 5.105 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.212 6.442 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.830 5.415 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.547 4.343 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.061 4.221 7.318 1.00 0.00 H new ATOM 544 N ALA A 416 11.895 6.527 6.886 1.00 0.00 N ATOM 545 CA ALA A 416 12.984 7.494 6.943 1.00 0.00 C ATOM 546 C ALA A 416 14.185 7.014 6.140 1.00 0.00 C ATOM 547 O ALA A 416 14.939 7.815 5.588 1.00 0.00 O ATOM 548 CB ALA A 416 13.379 7.759 8.389 1.00 0.00 C ATOM 0 H ALA A 416 11.680 6.080 7.777 1.00 0.00 H new ATOM 0 HA ALA A 416 12.635 8.426 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.193 8.483 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.522 8.156 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.705 6.828 8.854 1.00 0.00 H new ATOM 554 N GLN A 417 14.353 5.701 6.080 1.00 0.00 N ATOM 555 CA GLN A 417 15.460 5.101 5.343 1.00 0.00 C ATOM 556 C GLN A 417 15.225 5.182 3.839 1.00 0.00 C ATOM 557 O GLN A 417 16.168 5.143 3.049 1.00 0.00 O ATOM 558 CB GLN A 417 15.648 3.644 5.766 1.00 0.00 C ATOM 559 CG GLN A 417 15.987 3.476 7.237 1.00 0.00 C ATOM 560 CD GLN A 417 16.164 2.023 7.633 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.235 1.385 8.127 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.361 1.493 7.414 1.00 0.00 N ATOM 0 H GLN A 417 13.736 5.027 6.534 1.00 0.00 H new ATOM 0 HA GLN A 417 16.365 5.661 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.735 3.090 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.442 3.200 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 417 16.903 4.023 7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.196 3.920 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 417 18.102 2.060 7.002 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.540 0.519 7.658 1.00 0.00 H new ATOM 571 N MET A 418 13.961 5.294 3.450 1.00 0.00 N ATOM 572 CA MET A 418 13.597 5.380 2.041 1.00 0.00 C ATOM 573 C MET A 418 13.973 6.739 1.462 1.00 0.00 C ATOM 574 O MET A 418 13.625 7.780 2.021 1.00 0.00 O ATOM 575 CB MET A 418 12.096 5.143 1.865 1.00 0.00 C ATOM 576 CG MET A 418 11.629 3.789 2.372 1.00 0.00 C ATOM 577 SD MET A 418 10.303 3.095 1.367 1.00 0.00 S ATOM 578 CE MET A 418 9.182 2.519 2.639 1.00 0.00 C ATOM 0 H MET A 418 13.169 5.327 4.092 1.00 0.00 H new ATOM 0 HA MET A 418 14.149 4.609 1.504 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.549 5.926 2.390 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.844 5.232 0.808 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.472 3.098 2.383 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.286 3.889 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.581 1.697 2.250 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.755 2.174 3.500 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.527 3.335 2.943 1.00 0.00 H new ATOM 588 N THR A 419 14.678 6.726 0.335 1.00 0.00 N ATOM 589 CA THR A 419 15.091 7.963 -0.319 1.00 0.00 C ATOM 590 C THR A 419 13.867 8.747 -0.789 1.00 0.00 C ATOM 591 O THR A 419 12.746 8.239 -0.745 1.00 0.00 O ATOM 592 CB THR A 419 16.013 7.661 -1.504 1.00 0.00 C ATOM 593 OG1 THR A 419 15.260 7.292 -2.645 1.00 0.00 O ATOM 594 CG2 THR A 419 17.003 6.549 -1.230 1.00 0.00 C ATOM 0 H THR A 419 14.975 5.875 -0.143 1.00 0.00 H new ATOM 0 HA THR A 419 15.640 8.569 0.402 1.00 0.00 H new ATOM 0 HB THR A 419 16.568 8.583 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.867 7.105 -3.391 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.623 6.389 -2.112 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.636 6.825 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.464 5.632 -0.994 1.00 0.00 H new ATOM 602 N PRO A 420 14.057 9.999 -1.242 1.00 0.00 N ATOM 603 CA PRO A 420 12.950 10.838 -1.710 1.00 0.00 C ATOM 604 C PRO A 420 12.085 10.132 -2.748 1.00 0.00 C ATOM 605 O PRO A 420 10.875 9.994 -2.568 1.00 0.00 O ATOM 606 CB PRO A 420 13.655 12.048 -2.326 1.00 0.00 C ATOM 607 CG PRO A 420 14.963 12.119 -1.617 1.00 0.00 C ATOM 608 CD PRO A 420 15.354 10.696 -1.329 1.00 0.00 C ATOM 0 HA PRO A 420 12.265 11.096 -0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.792 11.923 -3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.076 12.960 -2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.714 12.614 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.877 12.694 -0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.980 10.283 -2.120 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.918 10.614 -0.400 1.00 0.00 H new ATOM 616 N GLU A 421 12.710 9.673 -3.828 1.00 0.00 N ATOM 617 CA GLU A 421 11.984 8.970 -4.877 1.00 0.00 C ATOM 618 C GLU A 421 11.299 7.737 -4.303 1.00 0.00 C ATOM 619 O GLU A 421 10.156 7.432 -4.641 1.00 0.00 O ATOM 620 CB GLU A 421 12.932 8.567 -6.008 1.00 0.00 C ATOM 621 CG GLU A 421 13.558 9.750 -6.729 1.00 0.00 C ATOM 622 CD GLU A 421 14.430 9.328 -7.895 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.559 8.854 -7.650 1.00 0.00 O ATOM 624 OE2 GLU A 421 13.984 9.471 -9.053 1.00 0.00 O ATOM 0 H GLU A 421 13.711 9.775 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 421 11.226 9.640 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.725 7.940 -5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.385 7.960 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.769 10.409 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.156 10.326 -6.023 1.00 0.00 H new ATOM 631 N GLU A 422 12.005 7.043 -3.417 1.00 0.00 N ATOM 632 CA GLU A 422 11.464 5.854 -2.777 1.00 0.00 C ATOM 633 C GLU A 422 10.282 6.224 -1.892 1.00 0.00 C ATOM 634 O GLU A 422 9.319 5.466 -1.774 1.00 0.00 O ATOM 635 CB GLU A 422 12.542 5.151 -1.948 1.00 0.00 C ATOM 636 CG GLU A 422 13.556 4.392 -2.789 1.00 0.00 C ATOM 637 CD GLU A 422 12.917 3.309 -3.637 1.00 0.00 C ATOM 638 OE1 GLU A 422 11.724 3.012 -3.420 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.610 2.761 -4.519 1.00 0.00 O ATOM 0 H GLU A 422 12.953 7.285 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 422 11.123 5.170 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.065 5.892 -1.344 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.063 4.457 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.082 5.093 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.302 3.942 -2.134 1.00 0.00 H new ATOM 646 N LYS A 423 10.354 7.404 -1.280 1.00 0.00 N ATOM 647 CA LYS A 423 9.282 7.879 -0.418 1.00 0.00 C ATOM 648 C LYS A 423 8.009 8.089 -1.229 1.00 0.00 C ATOM 649 O LYS A 423 6.905 7.825 -0.754 1.00 0.00 O ATOM 650 CB LYS A 423 9.688 9.185 0.269 1.00 0.00 C ATOM 651 CG LYS A 423 8.639 9.716 1.233 1.00 0.00 C ATOM 652 CD LYS A 423 8.594 8.898 2.513 1.00 0.00 C ATOM 653 CE LYS A 423 7.606 9.481 3.511 1.00 0.00 C ATOM 654 NZ LYS A 423 8.287 10.295 4.556 1.00 0.00 N ATOM 0 H LYS A 423 11.143 8.045 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 423 9.093 7.126 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.620 9.026 0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.886 9.940 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.857 10.757 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.660 9.698 0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 423 8.314 7.871 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.588 8.864 2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 423 6.880 10.101 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.050 8.673 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.664 10.390 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.171 9.826 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.503 11.238 4.175 1.00 0.00 H new ATOM 668 N GLU A 424 8.176 8.557 -2.462 1.00 0.00 N ATOM 669 CA GLU A 424 7.045 8.797 -3.347 1.00 0.00 C ATOM 670 C GLU A 424 6.344 7.488 -3.686 1.00 0.00 C ATOM 671 O GLU A 424 5.118 7.402 -3.642 1.00 0.00 O ATOM 672 CB GLU A 424 7.513 9.493 -4.627 1.00 0.00 C ATOM 673 CG GLU A 424 7.685 10.995 -4.475 1.00 0.00 C ATOM 674 CD GLU A 424 6.433 11.676 -3.957 1.00 0.00 C ATOM 675 OE1 GLU A 424 5.345 11.421 -4.516 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.541 12.463 -2.994 1.00 0.00 O ATOM 0 H GLU A 424 9.085 8.777 -2.870 1.00 0.00 H new ATOM 0 HA GLU A 424 6.336 9.446 -2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.461 9.057 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.793 9.297 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 424 8.512 11.195 -3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.956 11.425 -5.439 1.00 0.00 H new ATOM 683 N ALA A 425 7.128 6.464 -4.015 1.00 0.00 N ATOM 684 CA ALA A 425 6.573 5.158 -4.348 1.00 0.00 C ATOM 685 C ALA A 425 5.734 4.622 -3.196 1.00 0.00 C ATOM 686 O ALA A 425 4.763 3.896 -3.400 1.00 0.00 O ATOM 687 CB ALA A 425 7.685 4.181 -4.699 1.00 0.00 C ATOM 0 H ALA A 425 8.146 6.515 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 425 5.926 5.271 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.253 3.211 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.243 4.558 -5.556 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.357 4.073 -3.848 1.00 0.00 H new ATOM 693 N TYR A 426 6.117 5.002 -1.986 1.00 0.00 N ATOM 694 CA TYR A 426 5.406 4.586 -0.785 1.00 0.00 C ATOM 695 C TYR A 426 4.041 5.247 -0.725 1.00 0.00 C ATOM 696 O TYR A 426 3.028 4.604 -0.452 1.00 0.00 O ATOM 697 CB TYR A 426 6.203 4.984 0.456 1.00 0.00 C ATOM 698 CG TYR A 426 5.549 4.576 1.757 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.478 3.242 2.137 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.003 5.531 2.606 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.879 2.871 3.326 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.404 5.169 3.796 1.00 0.00 C ATOM 703 CZ TYR A 426 4.345 3.837 4.153 1.00 0.00 C ATOM 704 OH TYR A 426 3.749 3.473 5.337 1.00 0.00 O ATOM 0 H TYR A 426 6.922 5.602 -1.809 1.00 0.00 H new ATOM 0 HA TYR A 426 5.284 3.503 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.194 4.533 0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.345 6.065 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.897 2.483 1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.048 6.574 2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.829 1.829 3.606 1.00 0.00 H new ATOM 0 HE2 TYR A 426 3.984 5.924 4.444 1.00 0.00 H new ATOM 0 HH TYR A 426 3.426 4.274 5.800 1.00 0.00 H new ATOM 714 N ILE A 427 4.038 6.548 -0.971 1.00 0.00 N ATOM 715 CA ILE A 427 2.824 7.339 -0.939 1.00 0.00 C ATOM 716 C ILE A 427 1.975 7.117 -2.188 1.00 0.00 C ATOM 717 O ILE A 427 0.746 7.155 -2.128 1.00 0.00 O ATOM 718 CB ILE A 427 3.164 8.834 -0.804 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.913 9.083 0.507 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.902 9.675 -0.867 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.271 10.534 0.739 1.00 0.00 C ATOM 0 H ILE A 427 4.877 7.082 -1.198 1.00 0.00 H new ATOM 0 HA ILE A 427 2.246 7.017 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 427 3.807 9.125 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.300 8.732 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.826 8.488 0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.162 10.729 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.403 9.511 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.234 9.390 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 427 4.799 10.631 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 427 4.911 10.885 -0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 427 3.361 11.133 0.768 1.00 0.00 H new ATOM 733 N ALA A 428 2.634 6.891 -3.317 1.00 0.00 N ATOM 734 CA ALA A 428 1.932 6.671 -4.574 1.00 0.00 C ATOM 735 C ALA A 428 1.106 5.389 -4.526 1.00 0.00 C ATOM 736 O ALA A 428 -0.038 5.359 -4.979 1.00 0.00 O ATOM 737 CB ALA A 428 2.920 6.624 -5.729 1.00 0.00 C ATOM 0 H ALA A 428 3.651 6.855 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 428 1.248 7.505 -4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.381 6.459 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.460 7.569 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.627 5.810 -5.570 1.00 0.00 H new ATOM 743 N MET A 429 1.693 4.331 -3.974 1.00 0.00 N ATOM 744 CA MET A 429 1.008 3.048 -3.869 1.00 0.00 C ATOM 745 C MET A 429 -0.238 3.164 -2.996 1.00 0.00 C ATOM 746 O MET A 429 -1.282 2.592 -3.309 1.00 0.00 O ATOM 747 CB MET A 429 1.949 1.987 -3.293 1.00 0.00 C ATOM 748 CG MET A 429 2.987 1.489 -4.285 1.00 0.00 C ATOM 749 SD MET A 429 3.908 0.065 -3.673 1.00 0.00 S ATOM 750 CE MET A 429 4.751 0.782 -2.264 1.00 0.00 C ATOM 0 H MET A 429 2.639 4.337 -3.593 1.00 0.00 H new ATOM 0 HA MET A 429 0.702 2.748 -4.871 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.459 2.400 -2.423 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.358 1.141 -2.943 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.492 1.222 -5.219 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.683 2.296 -4.512 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.828 0.662 -2.384 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.509 1.843 -2.197 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.429 0.278 -1.353 1.00 0.00 H new