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 159:sc= -4.52 (180deg=-4.78!) USER MOD Single : A 404 SER OG : rot 131:sc= -1.22 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 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0.0203 X(o=0.02,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 418 MET CE :methyl -154:sc= -2.73! (180deg=-3.82!) USER MOD Single : A 419 THR OG1 : rot -173:sc= -1.14 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 TYR OH : rot 180:sc= -0.0323 USER MOD Single : A 429 MET CE :methyl 171:sc= -4.24 (180deg=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.654 -5.184 -2.370 1.00 0.00 N ATOM 212 CA ILE A 395 6.055 -4.944 -2.052 1.00 0.00 C ATOM 213 C ILE A 395 6.407 -3.469 -2.207 1.00 0.00 C ATOM 214 O ILE A 395 5.891 -2.784 -3.090 1.00 0.00 O ATOM 215 CB ILE A 395 6.989 -5.782 -2.950 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.590 -7.258 -2.899 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.439 -5.605 -2.523 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.669 -7.856 -1.511 1.00 0.00 C ATOM 0 HA ILE A 395 6.200 -5.243 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 395 6.890 -5.432 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.572 -7.364 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.238 -7.825 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.084 -6.203 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.717 -4.554 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.556 -5.931 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.373 -8.904 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.691 -7.781 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.000 -7.314 -0.843 1.00 0.00 H new ATOM 230 N VAL A 396 7.291 -2.986 -1.341 1.00 0.00 N ATOM 231 CA VAL A 396 7.716 -1.593 -1.375 1.00 0.00 C ATOM 232 C VAL A 396 9.238 -1.487 -1.347 1.00 0.00 C ATOM 233 O VAL A 396 9.911 -2.269 -0.675 1.00 0.00 O ATOM 234 CB VAL A 396 7.128 -0.800 -0.189 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.654 -1.334 1.135 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.431 0.684 -0.331 1.00 0.00 C ATOM 0 H VAL A 396 7.728 -3.541 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 396 7.343 -1.165 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 396 6.046 -0.929 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.225 -0.759 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.374 -2.382 1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.740 -1.244 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.007 1.224 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.510 0.834 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.993 1.058 -1.256 1.00 0.00 H new ATOM 246 N MET A 397 9.776 -0.517 -2.078 1.00 0.00 N ATOM 247 CA MET A 397 11.219 -0.316 -2.127 1.00 0.00 C ATOM 248 C MET A 397 11.676 0.590 -0.989 1.00 0.00 C ATOM 249 O MET A 397 11.333 1.772 -0.948 1.00 0.00 O ATOM 250 CB MET A 397 11.624 0.288 -3.472 1.00 0.00 C ATOM 251 CG MET A 397 11.474 -0.671 -4.642 1.00 0.00 C ATOM 252 SD MET A 397 12.890 -1.773 -4.822 1.00 0.00 S ATOM 253 CE MET A 397 12.385 -3.144 -3.786 1.00 0.00 C ATOM 0 H MET A 397 9.237 0.140 -2.642 1.00 0.00 H new ATOM 0 HA MET A 397 11.703 -1.286 -2.013 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.018 1.174 -3.660 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.661 0.618 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.571 -1.266 -4.506 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.344 -0.099 -5.561 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.940 -4.038 -4.070 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.589 -2.906 -2.742 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.318 -3.324 -3.915 1.00 0.00 H new ATOM 263 N VAL A 398 12.450 0.029 -0.067 1.00 0.00 N ATOM 264 CA VAL A 398 12.955 0.786 1.072 1.00 0.00 C ATOM 265 C VAL A 398 14.478 0.859 1.052 1.00 0.00 C ATOM 266 O VAL A 398 15.159 -0.165 1.117 1.00 0.00 O ATOM 267 CB VAL A 398 12.505 0.163 2.407 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.866 1.074 3.570 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.011 -0.122 2.385 1.00 0.00 C ATOM 0 H VAL A 398 12.742 -0.948 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 398 12.542 1.791 0.989 1.00 0.00 H new ATOM 0 HB VAL A 398 13.030 -0.783 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.540 0.617 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.946 1.221 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.371 2.037 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.710 -0.562 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.465 0.808 2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.785 -0.817 1.576 1.00 0.00 H new ATOM 279 N ALA A 399 15.008 2.075 0.963 1.00 0.00 N ATOM 280 CA ALA A 399 16.452 2.282 0.937 1.00 0.00 C ATOM 281 C ALA A 399 17.123 1.409 -0.121 1.00 0.00 C ATOM 282 O ALA A 399 18.299 1.066 -0.002 1.00 0.00 O ATOM 283 CB ALA A 399 17.049 2.000 2.308 1.00 0.00 C ATOM 0 H ALA A 399 14.459 2.933 0.908 1.00 0.00 H new ATOM 0 HA ALA A 399 16.635 3.324 0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.127 2.158 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.606 2.672 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.842 0.967 2.589 1.00 0.00 H new ATOM 289 N GLY A 400 16.369 1.056 -1.157 1.00 0.00 N ATOM 290 CA GLY A 400 16.909 0.227 -2.219 1.00 0.00 C ATOM 291 C GLY A 400 16.738 -1.257 -1.952 1.00 0.00 C ATOM 292 O GLY A 400 17.443 -2.082 -2.533 1.00 0.00 O ATOM 0 H GLY A 400 15.394 1.329 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.417 0.481 -3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.969 0.449 -2.344 1.00 0.00 H new ATOM 296 N ARG A 401 15.800 -1.598 -1.074 1.00 0.00 N ATOM 297 CA ARG A 401 15.542 -2.993 -0.737 1.00 0.00 C ATOM 298 C ARG A 401 14.040 -3.263 -0.669 1.00 0.00 C ATOM 299 O ARG A 401 13.269 -2.414 -0.223 1.00 0.00 O ATOM 300 CB ARG A 401 16.197 -3.347 0.599 1.00 0.00 C ATOM 301 CG ARG A 401 17.711 -3.473 0.520 1.00 0.00 C ATOM 302 CD ARG A 401 18.386 -2.861 1.736 1.00 0.00 C ATOM 303 NE ARG A 401 18.548 -3.829 2.818 1.00 0.00 N ATOM 304 CZ ARG A 401 18.946 -3.509 4.047 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.225 -2.248 4.354 1.00 0.00 N ATOM 306 NH2 ARG A 401 19.067 -4.452 4.972 1.00 0.00 N ATOM 0 H ARG A 401 15.207 -0.928 -0.584 1.00 0.00 H new ATOM 0 HA ARG A 401 15.973 -3.618 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 401 15.942 -2.583 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.781 -4.287 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.986 -4.525 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.071 -2.981 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 401 19.363 -2.470 1.450 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.796 -2.016 2.091 1.00 0.00 H new ATOM 0 HE ARG A 401 18.344 -4.809 2.620 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.135 -1.519 3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 401 19.530 -2.008 5.297 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.855 -5.423 4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.372 -4.206 5.914 1.00 0.00 H new ATOM 320 N PRO A 402 13.599 -4.453 -1.115 1.00 0.00 N ATOM 321 CA PRO A 402 12.180 -4.820 -1.104 1.00 0.00 C ATOM 322 C PRO A 402 11.663 -5.121 0.299 1.00 0.00 C ATOM 323 O PRO A 402 12.317 -5.812 1.080 1.00 0.00 O ATOM 324 CB PRO A 402 12.138 -6.081 -1.969 1.00 0.00 C ATOM 325 CG PRO A 402 13.493 -6.681 -1.826 1.00 0.00 C ATOM 326 CD PRO A 402 14.446 -5.527 -1.670 1.00 0.00 C ATOM 0 HA PRO A 402 11.548 -4.010 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.363 -6.768 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.919 -5.841 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.537 -7.342 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.748 -7.281 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.270 -5.775 -1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.886 -5.238 -2.624 1.00 0.00 H new ATOM 334 N PHE A 403 10.481 -4.599 0.609 1.00 0.00 N ATOM 335 CA PHE A 403 9.862 -4.808 1.913 1.00 0.00 C ATOM 336 C PHE A 403 8.342 -4.776 1.799 1.00 0.00 C ATOM 337 O PHE A 403 7.794 -4.153 0.891 1.00 0.00 O ATOM 338 CB PHE A 403 10.332 -3.743 2.904 1.00 0.00 C ATOM 339 CG PHE A 403 11.696 -4.009 3.471 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.834 -3.631 2.778 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.841 -4.638 4.698 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.091 -3.874 3.297 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.096 -4.884 5.222 1.00 0.00 C ATOM 344 CZ PHE A 403 14.222 -4.502 4.520 1.00 0.00 C ATOM 0 H PHE A 403 9.930 -4.025 -0.029 1.00 0.00 H new ATOM 0 HA PHE A 403 10.164 -5.789 2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.337 -2.773 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.614 -3.678 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.738 -3.141 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.963 -4.939 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.970 -3.573 2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.196 -5.374 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.204 -4.694 4.927 1.00 0.00 H new ATOM 354 N SER A 404 7.665 -5.445 2.724 1.00 0.00 N ATOM 355 CA SER A 404 6.209 -5.481 2.718 1.00 0.00 C ATOM 356 C SER A 404 5.637 -4.114 3.081 1.00 0.00 C ATOM 357 O SER A 404 6.112 -3.459 4.010 1.00 0.00 O ATOM 358 CB SER A 404 5.695 -6.541 3.695 1.00 0.00 C ATOM 359 OG SER A 404 5.663 -6.042 5.021 1.00 0.00 O ATOM 0 H SER A 404 8.099 -5.968 3.485 1.00 0.00 H new ATOM 0 HA SER A 404 5.879 -5.742 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.695 -6.858 3.399 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.335 -7.422 3.650 1.00 0.00 H new ATOM 0 HG SER A 404 4.790 -6.234 5.422 1.00 0.00 H new ATOM 365 N TYR A 405 4.620 -3.685 2.342 1.00 0.00 N ATOM 366 CA TYR A 405 3.989 -2.393 2.585 1.00 0.00 C ATOM 367 C TYR A 405 3.493 -2.287 4.024 1.00 0.00 C ATOM 368 O TYR A 405 3.611 -1.238 4.656 1.00 0.00 O ATOM 369 CB TYR A 405 2.826 -2.178 1.615 1.00 0.00 C ATOM 370 CG TYR A 405 2.239 -0.786 1.675 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.955 0.311 1.213 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.968 -0.569 2.192 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.422 1.585 1.265 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.428 0.702 2.249 1.00 0.00 C ATOM 375 CZ TYR A 405 1.159 1.775 1.784 1.00 0.00 C ATOM 376 OH TYR A 405 0.625 3.042 1.838 1.00 0.00 O ATOM 0 H TYR A 405 4.215 -4.213 1.569 1.00 0.00 H new ATOM 0 HA TYR A 405 4.738 -1.618 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.169 -2.375 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.043 -2.904 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.945 0.166 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.392 -1.407 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.992 2.427 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.561 0.854 2.655 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.272 3.002 2.230 1.00 0.00 H new ATOM 386 N SER A 406 2.939 -3.381 4.536 1.00 0.00 N ATOM 387 CA SER A 406 2.426 -3.410 5.901 1.00 0.00 C ATOM 388 C SER A 406 3.552 -3.215 6.912 1.00 0.00 C ATOM 389 O SER A 406 3.366 -2.574 7.946 1.00 0.00 O ATOM 390 CB SER A 406 1.709 -4.735 6.169 1.00 0.00 C ATOM 391 OG SER A 406 0.687 -4.965 5.215 1.00 0.00 O ATOM 0 H SER A 406 2.834 -4.259 4.027 1.00 0.00 H new ATOM 0 HA SER A 406 1.717 -2.590 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.428 -5.553 6.140 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.279 -4.723 7.171 1.00 0.00 H new ATOM 0 HG SER A 406 0.246 -5.819 5.408 1.00 0.00 H new ATOM 397 N GLU A 407 4.720 -3.773 6.607 1.00 0.00 N ATOM 398 CA GLU A 407 5.873 -3.662 7.493 1.00 0.00 C ATOM 399 C GLU A 407 6.355 -2.219 7.588 1.00 0.00 C ATOM 400 O GLU A 407 6.881 -1.796 8.617 1.00 0.00 O ATOM 401 CB GLU A 407 7.010 -4.561 7.004 1.00 0.00 C ATOM 402 CG GLU A 407 8.242 -4.525 7.895 1.00 0.00 C ATOM 403 CD GLU A 407 9.389 -5.348 7.341 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.225 -5.943 6.255 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.453 -5.396 7.994 1.00 0.00 O ATOM 0 H GLU A 407 4.892 -4.306 5.754 1.00 0.00 H new ATOM 0 HA GLU A 407 5.564 -3.987 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.648 -5.587 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.292 -4.259 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.567 -3.492 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.980 -4.896 8.886 1.00 0.00 H new ATOM 412 N VAL A 408 6.173 -1.473 6.510 1.00 0.00 N ATOM 413 CA VAL A 408 6.587 -0.077 6.468 1.00 0.00 C ATOM 414 C VAL A 408 5.692 0.787 7.351 1.00 0.00 C ATOM 415 O VAL A 408 6.176 1.582 8.156 1.00 0.00 O ATOM 416 CB VAL A 408 6.563 0.479 5.030 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.088 1.908 4.998 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.369 -0.413 4.094 1.00 0.00 C ATOM 0 H VAL A 408 5.741 -1.811 5.650 1.00 0.00 H new ATOM 0 HA VAL A 408 7.610 -0.041 6.843 1.00 0.00 H new ATOM 0 HB VAL A 408 5.529 0.488 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.063 2.282 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.464 2.539 5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.114 1.927 5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.339 -0.003 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.403 -0.459 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.943 -1.416 4.091 1.00 0.00 H new ATOM 428 N SER A 409 4.381 0.628 7.193 1.00 0.00 N ATOM 429 CA SER A 409 3.418 1.394 7.975 1.00 0.00 C ATOM 430 C SER A 409 3.552 1.085 9.460 1.00 0.00 C ATOM 431 O SER A 409 3.316 1.944 10.310 1.00 0.00 O ATOM 432 CB SER A 409 1.993 1.095 7.506 1.00 0.00 C ATOM 433 OG SER A 409 1.057 1.945 8.146 1.00 0.00 O ATOM 0 H SER A 409 3.962 -0.025 6.530 1.00 0.00 H new ATOM 0 HA SER A 409 3.628 2.453 7.823 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.928 1.225 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 409 1.748 0.054 7.718 1.00 0.00 H new ATOM 0 HG SER A 409 0.154 1.735 7.828 1.00 0.00 H new ATOM 439 N GLN A 410 3.936 -0.145 9.762 1.00 0.00 N ATOM 440 CA GLN A 410 4.110 -0.579 11.144 1.00 0.00 C ATOM 441 C GLN A 410 5.466 -0.144 11.688 1.00 0.00 C ATOM 442 O GLN A 410 5.639 0.020 12.895 1.00 0.00 O ATOM 443 CB GLN A 410 3.966 -2.097 11.248 1.00 0.00 C ATOM 444 CG GLN A 410 2.563 -2.599 10.944 1.00 0.00 C ATOM 445 CD GLN A 410 2.425 -4.097 11.135 1.00 0.00 C ATOM 446 OE1 GLN A 410 2.311 -4.583 12.260 1.00 0.00 O ATOM 447 NE2 GLN A 410 2.437 -4.838 10.033 1.00 0.00 N ATOM 0 H GLN A 410 4.134 -0.865 9.067 1.00 0.00 H new ATOM 0 HA GLN A 410 3.333 -0.107 11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 410 4.668 -2.568 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.245 -2.412 12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 410 1.850 -2.087 11.590 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.304 -2.342 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 410 2.534 -4.393 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 410 2.350 -5.852 10.099 1.00 0.00 H new ATOM 456 N ARG A 411 6.422 0.039 10.787 1.00 0.00 N ATOM 457 CA ARG A 411 7.766 0.455 11.168 1.00 0.00 C ATOM 458 C ARG A 411 8.202 1.683 10.371 1.00 0.00 C ATOM 459 O ARG A 411 8.624 1.566 9.221 1.00 0.00 O ATOM 460 CB ARG A 411 8.756 -0.690 10.944 1.00 0.00 C ATOM 461 CG ARG A 411 8.739 -1.734 12.049 1.00 0.00 C ATOM 462 CD ARG A 411 10.122 -2.322 12.281 1.00 0.00 C ATOM 463 NE ARG A 411 10.063 -3.597 12.991 1.00 0.00 N ATOM 464 CZ ARG A 411 11.104 -4.148 13.612 1.00 0.00 C ATOM 465 NH1 ARG A 411 12.283 -3.541 13.612 1.00 0.00 N ATOM 466 NH2 ARG A 411 10.964 -5.311 14.234 1.00 0.00 N ATOM 0 H ARG A 411 6.291 -0.094 9.784 1.00 0.00 H new ATOM 0 HA ARG A 411 7.754 0.717 12.226 1.00 0.00 H new ATOM 0 HB2 ARG A 411 8.529 -1.175 9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 411 9.762 -0.278 10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 411 8.375 -1.283 12.972 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.043 -2.531 11.788 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.621 -2.464 11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 411 10.725 -1.616 12.853 1.00 0.00 H new ATOM 0 HE ARG A 411 9.173 -4.094 13.012 1.00 0.00 H new ATOM 0 HH11 ARG A 411 12.396 -2.647 13.134 1.00 0.00 H new ATOM 0 HH12 ARG A 411 13.077 -3.968 14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 411 10.060 -5.782 14.236 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.761 -5.734 14.710 1.00 0.00 H new ATOM 480 N PRO A 412 8.102 2.883 10.969 1.00 0.00 N ATOM 481 CA PRO A 412 8.489 4.131 10.300 1.00 0.00 C ATOM 482 C PRO A 412 9.995 4.231 10.070 1.00 0.00 C ATOM 483 O PRO A 412 10.456 5.064 9.288 1.00 0.00 O ATOM 484 CB PRO A 412 8.024 5.219 11.272 1.00 0.00 C ATOM 485 CG PRO A 412 7.991 4.550 12.603 1.00 0.00 C ATOM 486 CD PRO A 412 7.607 3.122 12.338 1.00 0.00 C ATOM 0 HA PRO A 412 8.046 4.209 9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.708 6.068 11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.041 5.602 10.997 1.00 0.00 H new ATOM 0 HG2 PRO A 412 8.963 4.608 13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.271 5.032 13.264 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.067 2.443 13.056 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.529 2.976 12.407 1.00 0.00 H new ATOM 494 N GLU A 413 10.760 3.385 10.755 1.00 0.00 N ATOM 495 CA GLU A 413 12.212 3.390 10.622 1.00 0.00 C ATOM 496 C GLU A 413 12.633 3.147 9.182 1.00 0.00 C ATOM 497 O GLU A 413 13.641 3.680 8.717 1.00 0.00 O ATOM 498 CB GLU A 413 12.837 2.335 11.537 1.00 0.00 C ATOM 499 CG GLU A 413 12.518 2.540 13.008 1.00 0.00 C ATOM 500 CD GLU A 413 13.029 3.866 13.536 1.00 0.00 C ATOM 501 OE1 GLU A 413 13.905 4.469 12.881 1.00 0.00 O ATOM 502 OE2 GLU A 413 12.552 4.302 14.606 1.00 0.00 O ATOM 0 H GLU A 413 10.398 2.689 11.407 1.00 0.00 H new ATOM 0 HA GLU A 413 12.570 4.375 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.487 1.349 11.232 1.00 0.00 H new ATOM 0 HB3 GLU A 413 13.919 2.345 11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 413 11.439 2.487 13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 413 12.958 1.728 13.588 1.00 0.00 H new ATOM 509 N LEU A 414 11.851 2.347 8.483 1.00 0.00 N ATOM 510 CA LEU A 414 12.129 2.033 7.090 1.00 0.00 C ATOM 511 C LEU A 414 11.844 3.238 6.205 1.00 0.00 C ATOM 512 O LEU A 414 12.531 3.468 5.210 1.00 0.00 O ATOM 513 CB LEU A 414 11.291 0.840 6.652 1.00 0.00 C ATOM 514 CG LEU A 414 11.524 -0.424 7.480 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.230 -0.889 8.121 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.133 -1.517 6.620 1.00 0.00 C ATOM 0 H LEU A 414 11.014 1.900 8.857 1.00 0.00 H new ATOM 0 HA LEU A 414 13.184 1.779 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.236 1.110 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.508 0.622 5.606 1.00 0.00 H new ATOM 0 HG LEU A 414 12.228 -0.191 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.417 -1.790 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.845 -0.106 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 414 9.497 -1.106 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.292 -2.410 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 414 11.457 -1.752 5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.087 -1.175 6.219 1.00 0.00 H new ATOM 528 N VAL A 415 10.832 4.010 6.585 1.00 0.00 N ATOM 529 CA VAL A 415 10.458 5.202 5.837 1.00 0.00 C ATOM 530 C VAL A 415 11.549 6.261 5.935 1.00 0.00 C ATOM 531 O VAL A 415 11.775 7.025 4.997 1.00 0.00 O ATOM 532 CB VAL A 415 9.131 5.794 6.347 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.668 6.928 5.445 1.00 0.00 C ATOM 534 CG2 VAL A 415 8.066 4.711 6.445 1.00 0.00 C ATOM 0 H VAL A 415 10.256 3.830 7.408 1.00 0.00 H new ATOM 0 HA VAL A 415 10.331 4.903 4.796 1.00 0.00 H new ATOM 0 HB VAL A 415 9.296 6.201 7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.729 7.333 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.423 7.714 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.520 6.551 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 415 7.135 5.148 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.902 4.272 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.397 3.937 7.137 1.00 0.00 H new ATOM 544 N ALA A 416 12.229 6.297 7.080 1.00 0.00 N ATOM 545 CA ALA A 416 13.301 7.260 7.299 1.00 0.00 C ATOM 546 C ALA A 416 14.510 6.940 6.428 1.00 0.00 C ATOM 547 O ALA A 416 15.301 7.823 6.095 1.00 0.00 O ATOM 548 CB ALA A 416 13.695 7.285 8.768 1.00 0.00 C ATOM 0 H ALA A 416 12.056 5.671 7.867 1.00 0.00 H new ATOM 0 HA ALA A 416 12.935 8.247 7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.497 8.008 8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.833 7.569 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 416 14.039 6.295 9.069 1.00 0.00 H new ATOM 554 N GLN A 417 14.644 5.672 6.060 1.00 0.00 N ATOM 555 CA GLN A 417 15.754 5.227 5.224 1.00 0.00 C ATOM 556 C GLN A 417 15.394 5.297 3.741 1.00 0.00 C ATOM 557 O GLN A 417 16.266 5.195 2.878 1.00 0.00 O ATOM 558 CB GLN A 417 16.155 3.798 5.595 1.00 0.00 C ATOM 559 CG GLN A 417 16.642 3.656 7.028 1.00 0.00 C ATOM 560 CD GLN A 417 17.141 2.258 7.337 1.00 0.00 C ATOM 561 OE1 GLN A 417 18.250 1.884 6.956 1.00 0.00 O ATOM 562 NE2 GLN A 417 16.321 1.477 8.031 1.00 0.00 N ATOM 0 H GLN A 417 13.996 4.931 6.328 1.00 0.00 H new ATOM 0 HA GLN A 417 16.596 5.896 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 417 15.300 3.139 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.941 3.462 4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.444 4.372 7.208 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.830 3.907 7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 417 15.410 1.829 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 417 16.602 0.526 8.268 1.00 0.00 H new ATOM 571 N MET A 418 14.107 5.470 3.449 1.00 0.00 N ATOM 572 CA MET A 418 13.641 5.549 2.069 1.00 0.00 C ATOM 573 C MET A 418 13.999 6.894 1.445 1.00 0.00 C ATOM 574 O MET A 418 13.640 7.948 1.970 1.00 0.00 O ATOM 575 CB MET A 418 12.127 5.342 2.008 1.00 0.00 C ATOM 576 CG MET A 418 11.688 3.936 2.379 1.00 0.00 C ATOM 577 SD MET A 418 10.360 3.322 1.324 1.00 0.00 S ATOM 578 CE MET A 418 9.170 2.791 2.553 1.00 0.00 C ATOM 0 H MET A 418 13.370 5.558 4.149 1.00 0.00 H new ATOM 0 HA MET A 418 14.137 4.761 1.503 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.645 6.053 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.778 5.568 1.000 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.542 3.263 2.310 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.357 3.925 3.417 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.541 2.006 2.135 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.696 2.407 3.427 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.548 3.637 2.846 1.00 0.00 H new ATOM 588 N THR A 419 14.699 6.850 0.316 1.00 0.00 N ATOM 589 CA THR A 419 15.093 8.067 -0.386 1.00 0.00 C ATOM 590 C THR A 419 13.854 8.849 -0.817 1.00 0.00 C ATOM 591 O THR A 419 12.768 8.283 -0.928 1.00 0.00 O ATOM 592 CB THR A 419 15.948 7.722 -1.607 1.00 0.00 C ATOM 593 OG1 THR A 419 15.139 7.258 -2.671 1.00 0.00 O ATOM 594 CG2 THR A 419 16.992 6.661 -1.328 1.00 0.00 C ATOM 0 H THR A 419 15.005 5.986 -0.132 1.00 0.00 H new ATOM 0 HA THR A 419 15.683 8.685 0.291 1.00 0.00 H new ATOM 0 HB THR A 419 16.457 8.648 -1.873 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.710 6.940 -3.401 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.563 6.464 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.665 7.010 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.501 5.744 -1.002 1.00 0.00 H new ATOM 602 N PRO A 420 13.993 10.163 -1.064 1.00 0.00 N ATOM 603 CA PRO A 420 12.873 11.009 -1.480 1.00 0.00 C ATOM 604 C PRO A 420 12.031 10.360 -2.572 1.00 0.00 C ATOM 605 O PRO A 420 10.823 10.184 -2.413 1.00 0.00 O ATOM 606 CB PRO A 420 13.547 12.292 -2.000 1.00 0.00 C ATOM 607 CG PRO A 420 15.021 12.023 -1.972 1.00 0.00 C ATOM 608 CD PRO A 420 15.234 10.934 -0.961 1.00 0.00 C ATOM 0 HA PRO A 420 12.180 11.191 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.212 12.527 -3.010 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.294 13.147 -1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.378 11.716 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 420 15.575 12.921 -1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 420 16.109 10.328 -1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.382 11.334 0.042 1.00 0.00 H new ATOM 616 N GLU A 421 12.672 9.992 -3.677 1.00 0.00 N ATOM 617 CA GLU A 421 11.968 9.348 -4.779 1.00 0.00 C ATOM 618 C GLU A 421 11.337 8.046 -4.304 1.00 0.00 C ATOM 619 O GLU A 421 10.217 7.708 -4.686 1.00 0.00 O ATOM 620 CB GLU A 421 12.923 9.078 -5.942 1.00 0.00 C ATOM 621 CG GLU A 421 13.363 10.337 -6.669 1.00 0.00 C ATOM 622 CD GLU A 421 12.226 11.010 -7.411 1.00 0.00 C ATOM 623 OE1 GLU A 421 11.193 10.347 -7.645 1.00 0.00 O ATOM 624 OE2 GLU A 421 12.366 12.202 -7.760 1.00 0.00 O ATOM 0 H GLU A 421 13.671 10.128 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 421 11.181 10.017 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.804 8.559 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.438 8.408 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 421 13.787 11.038 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.155 10.086 -7.375 1.00 0.00 H new ATOM 631 N GLU A 422 12.061 7.327 -3.452 1.00 0.00 N ATOM 632 CA GLU A 422 11.570 6.071 -2.906 1.00 0.00 C ATOM 633 C GLU A 422 10.369 6.323 -2.003 1.00 0.00 C ATOM 634 O GLU A 422 9.446 5.511 -1.938 1.00 0.00 O ATOM 635 CB GLU A 422 12.676 5.359 -2.125 1.00 0.00 C ATOM 636 CG GLU A 422 13.739 4.730 -3.010 1.00 0.00 C ATOM 637 CD GLU A 422 13.183 3.634 -3.898 1.00 0.00 C ATOM 638 OE1 GLU A 422 12.082 3.127 -3.598 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.850 3.282 -4.894 1.00 0.00 O ATOM 0 H GLU A 422 12.990 7.595 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 422 11.261 5.431 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.151 6.073 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.228 4.584 -1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.192 5.502 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.531 4.319 -2.384 1.00 0.00 H new ATOM 646 N LYS A 423 10.383 7.461 -1.314 1.00 0.00 N ATOM 647 CA LYS A 423 9.290 7.825 -0.424 1.00 0.00 C ATOM 648 C LYS A 423 8.011 8.040 -1.222 1.00 0.00 C ATOM 649 O LYS A 423 6.915 7.722 -0.760 1.00 0.00 O ATOM 650 CB LYS A 423 9.639 9.092 0.360 1.00 0.00 C ATOM 651 CG LYS A 423 8.609 9.458 1.415 1.00 0.00 C ATOM 652 CD LYS A 423 8.980 10.744 2.134 1.00 0.00 C ATOM 653 CE LYS A 423 8.042 11.024 3.296 1.00 0.00 C ATOM 654 NZ LYS A 423 8.539 12.130 4.159 1.00 0.00 N ATOM 0 H LYS A 423 11.139 8.144 -1.356 1.00 0.00 H new ATOM 0 HA LYS A 423 9.132 7.010 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.607 8.956 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.744 9.923 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.631 9.571 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.524 8.647 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.004 10.674 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.949 11.577 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.055 11.280 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.927 10.121 3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.870 12.289 4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.470 11.876 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.625 12.999 3.594 1.00 0.00 H new ATOM 668 N GLU A 424 8.161 8.576 -2.429 1.00 0.00 N ATOM 669 CA GLU A 424 7.022 8.828 -3.301 1.00 0.00 C ATOM 670 C GLU A 424 6.348 7.519 -3.695 1.00 0.00 C ATOM 671 O GLU A 424 5.126 7.398 -3.631 1.00 0.00 O ATOM 672 CB GLU A 424 7.470 9.589 -4.551 1.00 0.00 C ATOM 673 CG GLU A 424 7.527 11.096 -4.358 1.00 0.00 C ATOM 674 CD GLU A 424 7.935 11.833 -5.619 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.395 11.169 -6.572 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.793 13.073 -5.654 1.00 0.00 O ATOM 0 H GLU A 424 9.062 8.844 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 424 6.300 9.438 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.455 9.232 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.787 9.361 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.550 11.454 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.233 11.330 -3.561 1.00 0.00 H new ATOM 683 N ALA A 425 7.152 6.536 -4.091 1.00 0.00 N ATOM 684 CA ALA A 425 6.625 5.233 -4.483 1.00 0.00 C ATOM 685 C ALA A 425 5.806 4.625 -3.354 1.00 0.00 C ATOM 686 O ALA A 425 4.846 3.890 -3.586 1.00 0.00 O ATOM 687 CB ALA A 425 7.757 4.300 -4.885 1.00 0.00 C ATOM 0 H ALA A 425 8.167 6.617 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 425 5.971 5.371 -5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.346 3.333 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.301 4.729 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.436 4.168 -4.043 1.00 0.00 H new ATOM 693 N TYR A 426 6.189 4.954 -2.129 1.00 0.00 N ATOM 694 CA TYR A 426 5.497 4.466 -0.944 1.00 0.00 C ATOM 695 C TYR A 426 4.113 5.085 -0.851 1.00 0.00 C ATOM 696 O TYR A 426 3.116 4.398 -0.629 1.00 0.00 O ATOM 697 CB TYR A 426 6.288 4.831 0.309 1.00 0.00 C ATOM 698 CG TYR A 426 5.690 4.295 1.589 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.489 2.932 1.773 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.323 5.156 2.614 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.940 2.445 2.944 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.775 4.678 3.788 1.00 0.00 C ATOM 703 CZ TYR A 426 4.585 3.321 3.948 1.00 0.00 C ATOM 704 OH TYR A 426 4.038 2.839 5.115 1.00 0.00 O ATOM 0 H TYR A 426 6.983 5.563 -1.928 1.00 0.00 H new ATOM 0 HA TYR A 426 5.406 3.382 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.305 4.452 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.358 5.916 0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.766 2.243 0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.469 6.219 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.790 1.383 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.497 5.362 4.576 1.00 0.00 H new ATOM 0 HH TYR A 426 3.845 3.586 5.719 1.00 0.00 H new ATOM 714 N ILE A 427 4.074 6.400 -1.013 1.00 0.00 N ATOM 715 CA ILE A 427 2.837 7.153 -0.944 1.00 0.00 C ATOM 716 C ILE A 427 1.989 6.950 -2.196 1.00 0.00 C ATOM 717 O ILE A 427 0.760 6.950 -2.132 1.00 0.00 O ATOM 718 CB ILE A 427 3.135 8.653 -0.755 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.844 8.884 0.582 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.856 9.467 -0.827 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.070 9.761 0.476 1.00 0.00 C ATOM 0 H ILE A 427 4.899 6.971 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 427 2.273 6.784 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 427 3.792 8.981 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.142 9.339 1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.133 7.920 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.089 10.523 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.386 9.321 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.173 9.142 -0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.519 9.880 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.791 9.298 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.785 10.739 0.087 1.00 0.00 H new ATOM 733 N ALA A 428 2.650 6.780 -3.334 1.00 0.00 N ATOM 734 CA ALA A 428 1.953 6.581 -4.598 1.00 0.00 C ATOM 735 C ALA A 428 1.053 5.350 -4.542 1.00 0.00 C ATOM 736 O ALA A 428 -0.062 5.361 -5.064 1.00 0.00 O ATOM 737 CB ALA A 428 2.953 6.456 -5.739 1.00 0.00 C ATOM 0 H ALA A 428 3.667 6.776 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 428 1.322 7.451 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.418 6.308 -6.677 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.549 7.366 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.609 5.604 -5.557 1.00 0.00 H new ATOM 743 N MET A 429 1.543 4.291 -3.906 1.00 0.00 N ATOM 744 CA MET A 429 0.780 3.054 -3.781 1.00 0.00 C ATOM 745 C MET A 429 -0.491 3.276 -2.969 1.00 0.00 C ATOM 746 O MET A 429 -1.541 2.712 -3.276 1.00 0.00 O ATOM 747 CB MET A 429 1.634 1.967 -3.125 1.00 0.00 C ATOM 748 CG MET A 429 2.748 1.445 -4.018 1.00 0.00 C ATOM 749 SD MET A 429 3.586 0.010 -3.314 1.00 0.00 S ATOM 750 CE MET A 429 4.162 0.681 -1.757 1.00 0.00 C ATOM 0 H MET A 429 2.464 4.264 -3.469 1.00 0.00 H new ATOM 0 HA MET A 429 0.497 2.730 -4.783 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.071 2.364 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 429 0.991 1.135 -2.838 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.334 1.179 -4.991 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.475 2.239 -4.187 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.559 -0.124 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.946 1.414 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.332 1.162 -1.239 1.00 0.00 H new