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 Single : A 397 MET CE :methyl -111:sc= -3.15 (180deg=-5.4!) USER MOD Single : A 404 SER OG : rot 131:sc= -1.14 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 -37:sc= 0.887 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 418 MET CE :methyl -139:sc= -1.64 (180deg=-4.83!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 423 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.762) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -123:sc= -3.26! (180deg=-3.99!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.668 -4.796 -2.868 1.00 0.00 N ATOM 212 CA ILE A 395 6.010 -4.611 -2.329 1.00 0.00 C ATOM 213 C ILE A 395 6.453 -3.157 -2.451 1.00 0.00 C ATOM 214 O ILE A 395 6.146 -2.483 -3.434 1.00 0.00 O ATOM 215 CB ILE A 395 7.035 -5.513 -3.047 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.592 -6.976 -2.983 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.418 -5.346 -2.431 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.599 -7.549 -1.582 1.00 0.00 C ATOM 0 HA ILE A 395 5.970 -4.889 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 395 7.088 -5.212 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.587 -7.061 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.249 -7.574 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.128 -5.990 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.735 -4.307 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.382 -5.621 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.274 -8.589 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.608 -7.496 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.920 -6.975 -0.951 1.00 0.00 H new ATOM 230 N VAL A 396 7.180 -2.683 -1.446 1.00 0.00 N ATOM 231 CA VAL A 396 7.671 -1.312 -1.434 1.00 0.00 C ATOM 232 C VAL A 396 9.195 -1.284 -1.373 1.00 0.00 C ATOM 233 O VAL A 396 9.814 -2.104 -0.694 1.00 0.00 O ATOM 234 CB VAL A 396 7.100 -0.521 -0.239 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.562 -1.121 1.079 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.488 0.947 -0.331 1.00 0.00 C ATOM 0 H VAL A 396 7.443 -3.231 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 396 7.336 -0.842 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 396 6.013 -0.588 -0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.146 -0.546 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.221 -2.154 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.651 -1.094 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.075 1.487 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.574 1.037 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.093 1.371 -1.254 1.00 0.00 H new ATOM 246 N MET A 397 9.798 -0.341 -2.088 1.00 0.00 N ATOM 247 CA MET A 397 11.250 -0.216 -2.108 1.00 0.00 C ATOM 248 C MET A 397 11.740 0.610 -0.924 1.00 0.00 C ATOM 249 O MET A 397 11.465 1.806 -0.833 1.00 0.00 O ATOM 250 CB MET A 397 11.709 0.427 -3.419 1.00 0.00 C ATOM 251 CG MET A 397 11.448 -0.434 -4.644 1.00 0.00 C ATOM 252 SD MET A 397 12.724 -1.682 -4.899 1.00 0.00 S ATOM 253 CE MET A 397 12.134 -2.992 -3.830 1.00 0.00 C ATOM 0 H MET A 397 9.306 0.346 -2.659 1.00 0.00 H new ATOM 0 HA MET A 397 11.678 -1.216 -2.033 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.200 1.383 -3.542 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.776 0.639 -3.355 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.481 -0.925 -4.539 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.388 0.204 -5.526 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.807 -3.099 -2.980 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.134 -2.747 -3.472 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.101 -3.929 -4.386 1.00 0.00 H new ATOM 263 N VAL A 398 12.470 -0.035 -0.020 1.00 0.00 N ATOM 264 CA VAL A 398 13.001 0.643 1.156 1.00 0.00 C ATOM 265 C VAL A 398 14.524 0.682 1.121 1.00 0.00 C ATOM 266 O VAL A 398 15.184 -0.353 1.220 1.00 0.00 O ATOM 267 CB VAL A 398 12.548 -0.041 2.459 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.923 0.809 3.664 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.051 -0.309 2.429 1.00 0.00 C ATOM 0 H VAL A 398 12.707 -1.025 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 398 12.609 1.660 1.137 1.00 0.00 H new ATOM 0 HB VAL A 398 13.062 -0.999 2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.596 0.311 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.004 0.944 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.438 1.782 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.749 -0.793 3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.515 0.634 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.815 -0.960 1.588 1.00 0.00 H new ATOM 279 N ALA A 399 15.078 1.881 0.979 1.00 0.00 N ATOM 280 CA ALA A 399 16.526 2.054 0.928 1.00 0.00 C ATOM 281 C ALA A 399 17.150 1.187 -0.162 1.00 0.00 C ATOM 282 O ALA A 399 18.331 0.846 -0.097 1.00 0.00 O ATOM 283 CB ALA A 399 17.142 1.727 2.281 1.00 0.00 C ATOM 0 H ALA A 399 14.547 2.748 0.897 1.00 0.00 H new ATOM 0 HA ALA A 399 16.733 3.096 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.223 1.860 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.730 2.393 3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.915 0.694 2.544 1.00 0.00 H new ATOM 289 N GLY A 400 16.351 0.831 -1.164 1.00 0.00 N ATOM 290 CA GLY A 400 16.846 0.007 -2.251 1.00 0.00 C ATOM 291 C GLY A 400 16.460 -1.453 -2.105 1.00 0.00 C ATOM 292 O GLY A 400 16.513 -2.214 -3.072 1.00 0.00 O ATOM 0 H GLY A 400 15.370 1.099 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.458 0.388 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.932 0.088 -2.297 1.00 0.00 H new ATOM 296 N ARG A 401 16.075 -1.850 -0.895 1.00 0.00 N ATOM 297 CA ARG A 401 15.684 -3.231 -0.635 1.00 0.00 C ATOM 298 C ARG A 401 14.163 -3.379 -0.629 1.00 0.00 C ATOM 299 O ARG A 401 13.444 -2.468 -0.219 1.00 0.00 O ATOM 300 CB ARG A 401 16.259 -3.700 0.703 1.00 0.00 C ATOM 301 CG ARG A 401 17.683 -4.226 0.600 1.00 0.00 C ATOM 302 CD ARG A 401 18.622 -3.493 1.544 1.00 0.00 C ATOM 303 NE ARG A 401 19.926 -3.245 0.935 1.00 0.00 N ATOM 304 CZ ARG A 401 20.792 -2.335 1.378 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.496 -1.587 2.434 1.00 0.00 N ATOM 306 NH2 ARG A 401 21.956 -2.173 0.765 1.00 0.00 N ATOM 0 H ARG A 401 16.026 -1.236 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 401 16.086 -3.852 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.237 -2.871 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.619 -4.483 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.695 -5.292 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.038 -4.116 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 401 18.173 -2.544 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 401 18.752 -4.079 2.454 1.00 0.00 H new ATOM 0 HE ARG A 401 20.189 -3.802 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.602 -1.708 2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 401 21.163 -0.892 2.769 1.00 0.00 H new ATOM 0 HH21 ARG A 401 22.189 -2.745 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 401 22.619 -1.476 1.105 1.00 0.00 H new ATOM 320 N PRO A 402 13.651 -4.535 -1.087 1.00 0.00 N ATOM 321 CA PRO A 402 12.210 -4.798 -1.135 1.00 0.00 C ATOM 322 C PRO A 402 11.624 -5.097 0.242 1.00 0.00 C ATOM 323 O PRO A 402 12.201 -5.852 1.024 1.00 0.00 O ATOM 324 CB PRO A 402 12.111 -6.031 -2.034 1.00 0.00 C ATOM 325 CG PRO A 402 13.403 -6.744 -1.834 1.00 0.00 C ATOM 326 CD PRO A 402 14.438 -5.676 -1.597 1.00 0.00 C ATOM 0 HA PRO A 402 11.650 -3.936 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.264 -6.658 -1.755 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.970 -5.751 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.345 -7.425 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.656 -7.345 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.189 -5.999 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.967 -5.420 -2.515 1.00 0.00 H new ATOM 334 N PHE A 403 10.472 -4.500 0.527 1.00 0.00 N ATOM 335 CA PHE A 403 9.798 -4.700 1.805 1.00 0.00 C ATOM 336 C PHE A 403 8.286 -4.616 1.635 1.00 0.00 C ATOM 337 O PHE A 403 7.792 -4.001 0.691 1.00 0.00 O ATOM 338 CB PHE A 403 10.265 -3.657 2.823 1.00 0.00 C ATOM 339 CG PHE A 403 11.629 -3.936 3.385 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.765 -3.458 2.753 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.776 -4.677 4.547 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.021 -3.712 3.269 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.029 -4.935 5.068 1.00 0.00 C ATOM 344 CZ PHE A 403 14.154 -4.452 4.428 1.00 0.00 C ATOM 0 H PHE A 403 9.984 -3.872 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 403 10.054 -5.694 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.270 -2.675 2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.546 -3.612 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.668 -2.880 1.846 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.900 -5.057 5.051 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.898 -3.332 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.129 -5.514 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.135 -4.652 4.833 1.00 0.00 H new ATOM 354 N SER A 404 7.552 -5.237 2.552 1.00 0.00 N ATOM 355 CA SER A 404 6.096 -5.223 2.495 1.00 0.00 C ATOM 356 C SER A 404 5.556 -3.864 2.925 1.00 0.00 C ATOM 357 O SER A 404 6.047 -3.265 3.882 1.00 0.00 O ATOM 358 CB SER A 404 5.517 -6.324 3.385 1.00 0.00 C ATOM 359 OG SER A 404 5.479 -5.917 4.742 1.00 0.00 O ATOM 0 H SER A 404 7.940 -5.754 3.341 1.00 0.00 H new ATOM 0 HA SER A 404 5.792 -5.408 1.465 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.511 -6.575 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.120 -7.227 3.290 1.00 0.00 H new ATOM 0 HG SER A 404 4.590 -6.097 5.113 1.00 0.00 H new ATOM 365 N TYR A 405 4.544 -3.380 2.212 1.00 0.00 N ATOM 366 CA TYR A 405 3.941 -2.088 2.522 1.00 0.00 C ATOM 367 C TYR A 405 3.440 -2.050 3.962 1.00 0.00 C ATOM 368 O TYR A 405 3.580 -1.040 4.653 1.00 0.00 O ATOM 369 CB TYR A 405 2.789 -1.795 1.559 1.00 0.00 C ATOM 370 CG TYR A 405 2.252 -0.387 1.671 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.951 0.688 1.134 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.047 -0.130 2.312 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.465 1.977 1.235 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.553 1.156 2.416 1.00 0.00 C ATOM 375 CZ TYR A 405 1.266 2.207 1.876 1.00 0.00 C ATOM 376 OH TYR A 405 0.778 3.490 1.977 1.00 0.00 O ATOM 0 H TYR A 405 4.125 -3.862 1.417 1.00 0.00 H new ATOM 0 HA TYR A 405 4.707 -1.321 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.128 -1.966 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 405 1.980 -2.500 1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.890 0.512 0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.486 -0.950 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.022 2.801 0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.386 1.338 2.917 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.077 3.478 2.456 1.00 0.00 H new ATOM 386 N SER A 406 2.856 -3.157 4.409 1.00 0.00 N ATOM 387 CA SER A 406 2.335 -3.250 5.768 1.00 0.00 C ATOM 388 C SER A 406 3.462 -3.147 6.792 1.00 0.00 C ATOM 389 O SER A 406 3.301 -2.532 7.846 1.00 0.00 O ATOM 390 CB SER A 406 1.579 -4.566 5.957 1.00 0.00 C ATOM 391 OG SER A 406 0.562 -4.716 4.981 1.00 0.00 O ATOM 0 H SER A 406 2.732 -4.001 3.851 1.00 0.00 H new ATOM 0 HA SER A 406 1.649 -2.418 5.925 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.276 -5.402 5.892 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.138 -4.596 6.953 1.00 0.00 H new ATOM 0 HG SER A 406 0.095 -5.566 5.123 1.00 0.00 H new ATOM 397 N GLU A 407 4.602 -3.752 6.473 1.00 0.00 N ATOM 398 CA GLU A 407 5.754 -3.728 7.367 1.00 0.00 C ATOM 399 C GLU A 407 6.304 -2.316 7.518 1.00 0.00 C ATOM 400 O GLU A 407 6.861 -1.961 8.556 1.00 0.00 O ATOM 401 CB GLU A 407 6.849 -4.663 6.851 1.00 0.00 C ATOM 402 CG GLU A 407 8.061 -4.745 7.766 1.00 0.00 C ATOM 403 CD GLU A 407 9.174 -5.599 7.188 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.019 -6.090 6.051 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.202 -5.777 7.875 1.00 0.00 O ATOM 0 H GLU A 407 4.752 -4.264 5.604 1.00 0.00 H new ATOM 0 HA GLU A 407 5.423 -4.073 8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.432 -5.662 6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.170 -4.324 5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.439 -3.740 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.757 -5.155 8.729 1.00 0.00 H new ATOM 412 N VAL A 408 6.141 -1.515 6.475 1.00 0.00 N ATOM 413 CA VAL A 408 6.618 -0.138 6.485 1.00 0.00 C ATOM 414 C VAL A 408 5.835 0.703 7.488 1.00 0.00 C ATOM 415 O VAL A 408 6.415 1.457 8.269 1.00 0.00 O ATOM 416 CB VAL A 408 6.510 0.508 5.089 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.035 1.936 5.112 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.254 -0.324 4.053 1.00 0.00 C ATOM 0 H VAL A 408 5.681 -1.795 5.609 1.00 0.00 H new ATOM 0 HA VAL A 408 7.667 -0.167 6.778 1.00 0.00 H new ATOM 0 HB VAL A 408 5.457 0.539 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 408 6.949 2.371 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.452 2.527 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.081 1.934 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.166 0.149 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.306 -0.393 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.823 -1.325 4.013 1.00 0.00 H new ATOM 428 N SER A 409 4.513 0.569 7.461 1.00 0.00 N ATOM 429 CA SER A 409 3.649 1.317 8.369 1.00 0.00 C ATOM 430 C SER A 409 3.888 0.902 9.815 1.00 0.00 C ATOM 431 O SER A 409 3.713 1.697 10.739 1.00 0.00 O ATOM 432 CB SER A 409 2.180 1.109 7.999 1.00 0.00 C ATOM 433 OG SER A 409 1.774 -0.225 8.253 1.00 0.00 O ATOM 0 H SER A 409 4.016 -0.050 6.821 1.00 0.00 H new ATOM 0 HA SER A 409 3.892 2.375 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.557 1.797 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.030 1.344 6.945 1.00 0.00 H new ATOM 0 HG SER A 409 2.508 -0.837 8.036 1.00 0.00 H new ATOM 439 N GLN A 410 4.290 -0.347 10.002 1.00 0.00 N ATOM 440 CA GLN A 410 4.557 -0.876 11.335 1.00 0.00 C ATOM 441 C GLN A 410 5.899 -0.377 11.861 1.00 0.00 C ATOM 442 O GLN A 410 6.110 -0.288 13.070 1.00 0.00 O ATOM 443 CB GLN A 410 4.538 -2.405 11.316 1.00 0.00 C ATOM 444 CG GLN A 410 3.166 -2.993 11.027 1.00 0.00 C ATOM 445 CD GLN A 410 3.155 -4.507 11.095 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.128 -5.091 12.179 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.175 -5.152 9.934 1.00 0.00 N ATOM 0 H GLN A 410 4.439 -1.016 9.246 1.00 0.00 H new ATOM 0 HA GLN A 410 3.772 -0.520 12.002 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.242 -2.759 10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.888 -2.776 12.279 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.446 -2.596 11.743 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.840 -2.675 10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.197 -4.627 9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.168 -6.172 9.917 1.00 0.00 H new ATOM 456 N ARG A 411 6.799 -0.054 10.943 1.00 0.00 N ATOM 457 CA ARG A 411 8.123 0.437 11.305 1.00 0.00 C ATOM 458 C ARG A 411 8.392 1.796 10.662 1.00 0.00 C ATOM 459 O ARG A 411 8.827 1.869 9.513 1.00 0.00 O ATOM 460 CB ARG A 411 9.194 -0.565 10.872 1.00 0.00 C ATOM 461 CG ARG A 411 9.246 -1.813 11.739 1.00 0.00 C ATOM 462 CD ARG A 411 10.252 -2.820 11.205 1.00 0.00 C ATOM 463 NE ARG A 411 10.965 -3.505 12.280 1.00 0.00 N ATOM 464 CZ ARG A 411 11.635 -4.643 12.118 1.00 0.00 C ATOM 465 NH1 ARG A 411 11.688 -5.227 10.927 1.00 0.00 N ATOM 466 NH2 ARG A 411 12.256 -5.199 13.150 1.00 0.00 N ATOM 0 H ARG A 411 6.636 -0.123 9.938 1.00 0.00 H new ATOM 0 HA ARG A 411 8.159 0.553 12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.009 -0.858 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.168 -0.076 10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.512 -1.538 12.760 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.258 -2.271 11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 411 9.736 -3.555 10.587 1.00 0.00 H new ATOM 0 HD3 ARG A 411 10.969 -2.310 10.562 1.00 0.00 H new ATOM 0 HE ARG A 411 10.948 -3.086 13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.213 -4.803 10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 411 12.203 -6.099 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.220 -4.754 14.067 1.00 0.00 H new ATOM 0 HH22 ARG A 411 12.770 -6.071 13.026 1.00 0.00 H new ATOM 480 N PRO A 412 8.136 2.896 11.394 1.00 0.00 N ATOM 481 CA PRO A 412 8.355 4.252 10.878 1.00 0.00 C ATOM 482 C PRO A 412 9.820 4.512 10.540 1.00 0.00 C ATOM 483 O PRO A 412 10.131 5.355 9.698 1.00 0.00 O ATOM 484 CB PRO A 412 7.900 5.160 12.028 1.00 0.00 C ATOM 485 CG PRO A 412 7.936 4.298 13.242 1.00 0.00 C ATOM 486 CD PRO A 412 7.617 2.909 12.772 1.00 0.00 C ATOM 0 HA PRO A 412 7.812 4.423 9.949 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.561 6.020 12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 412 6.897 5.549 11.850 1.00 0.00 H new ATOM 0 HG2 PRO A 412 8.916 4.334 13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.211 4.636 13.982 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.099 2.153 13.392 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.546 2.709 12.801 1.00 0.00 H new ATOM 494 N GLU A 413 10.715 3.783 11.198 1.00 0.00 N ATOM 495 CA GLU A 413 12.145 3.938 10.962 1.00 0.00 C ATOM 496 C GLU A 413 12.501 3.585 9.524 1.00 0.00 C ATOM 497 O GLU A 413 13.466 4.107 8.965 1.00 0.00 O ATOM 498 CB GLU A 413 12.944 3.062 11.930 1.00 0.00 C ATOM 499 CG GLU A 413 14.447 3.272 11.844 1.00 0.00 C ATOM 500 CD GLU A 413 15.223 2.326 12.740 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.590 1.471 13.393 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.466 2.441 12.787 1.00 0.00 O ATOM 0 H GLU A 413 10.476 3.080 11.898 1.00 0.00 H new ATOM 0 HA GLU A 413 12.404 4.983 11.134 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.615 3.268 12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.720 2.015 11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.770 3.135 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.682 4.300 12.118 1.00 0.00 H new ATOM 509 N LEU A 414 11.715 2.698 8.931 1.00 0.00 N ATOM 510 CA LEU A 414 11.941 2.273 7.555 1.00 0.00 C ATOM 511 C LEU A 414 11.703 3.428 6.588 1.00 0.00 C ATOM 512 O LEU A 414 12.429 3.588 5.607 1.00 0.00 O ATOM 513 CB LEU A 414 11.026 1.099 7.202 1.00 0.00 C ATOM 514 CG LEU A 414 11.212 -0.152 8.063 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.336 -1.286 7.553 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.675 -0.573 8.082 1.00 0.00 C ATOM 0 H LEU A 414 10.913 2.257 9.381 1.00 0.00 H new ATOM 0 HA LEU A 414 12.979 1.952 7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.990 1.428 7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.192 0.831 6.159 1.00 0.00 H new ATOM 0 HG LEU A 414 10.909 0.083 9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.482 -2.167 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.290 -0.983 7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.608 -1.521 6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.789 -1.464 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.004 -0.790 7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.280 0.234 8.495 1.00 0.00 H new ATOM 528 N VAL A 415 10.684 4.231 6.873 1.00 0.00 N ATOM 529 CA VAL A 415 10.353 5.372 6.030 1.00 0.00 C ATOM 530 C VAL A 415 11.501 6.375 6.004 1.00 0.00 C ATOM 531 O VAL A 415 11.774 6.995 4.976 1.00 0.00 O ATOM 532 CB VAL A 415 9.075 6.080 6.514 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.641 7.143 5.516 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.961 5.070 6.747 1.00 0.00 C ATOM 0 H VAL A 415 10.073 4.112 7.681 1.00 0.00 H new ATOM 0 HA VAL A 415 10.181 4.988 5.024 1.00 0.00 H new ATOM 0 HB VAL A 415 9.292 6.573 7.462 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.736 7.632 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.434 7.883 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.442 6.677 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 415 7.065 5.589 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.744 4.546 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.275 4.350 7.503 1.00 0.00 H new ATOM 544 N ALA A 416 12.174 6.524 7.142 1.00 0.00 N ATOM 545 CA ALA A 416 13.296 7.447 7.248 1.00 0.00 C ATOM 546 C ALA A 416 14.446 7.011 6.350 1.00 0.00 C ATOM 547 O ALA A 416 15.213 7.836 5.855 1.00 0.00 O ATOM 548 CB ALA A 416 13.759 7.555 8.693 1.00 0.00 C ATOM 0 H ALA A 416 11.961 6.018 8.001 1.00 0.00 H new ATOM 0 HA ALA A 416 12.961 8.430 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.598 8.248 8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.939 7.921 9.311 1.00 0.00 H new ATOM 0 HB3 ALA A 416 14.072 6.574 9.049 1.00 0.00 H new ATOM 554 N GLN A 417 14.552 5.706 6.143 1.00 0.00 N ATOM 555 CA GLN A 417 15.601 5.144 5.300 1.00 0.00 C ATOM 556 C GLN A 417 15.232 5.253 3.823 1.00 0.00 C ATOM 557 O GLN A 417 16.094 5.150 2.949 1.00 0.00 O ATOM 558 CB GLN A 417 15.852 3.681 5.669 1.00 0.00 C ATOM 559 CG GLN A 417 16.373 3.491 7.084 1.00 0.00 C ATOM 560 CD GLN A 417 16.572 2.031 7.441 1.00 0.00 C ATOM 561 OE1 GLN A 417 16.071 1.139 6.756 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.307 1.779 8.519 1.00 0.00 N ATOM 0 H GLN A 417 13.922 5.013 6.548 1.00 0.00 H new ATOM 0 HA GLN A 417 16.513 5.716 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.923 3.122 5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.569 3.256 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.320 4.020 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.674 3.941 7.788 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.703 2.549 9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.475 0.815 8.808 1.00 0.00 H new ATOM 571 N MET A 418 13.948 5.459 3.550 1.00 0.00 N ATOM 572 CA MET A 418 13.466 5.579 2.180 1.00 0.00 C ATOM 573 C MET A 418 13.883 6.910 1.564 1.00 0.00 C ATOM 574 O MET A 418 13.618 7.973 2.124 1.00 0.00 O ATOM 575 CB MET A 418 11.942 5.453 2.143 1.00 0.00 C ATOM 576 CG MET A 418 11.452 4.022 2.003 1.00 0.00 C ATOM 577 SD MET A 418 9.771 3.924 1.360 1.00 0.00 S ATOM 578 CE MET A 418 8.973 2.969 2.646 1.00 0.00 C ATOM 0 H MET A 418 13.222 5.546 4.261 1.00 0.00 H new ATOM 0 HA MET A 418 13.912 4.773 1.597 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.528 5.882 3.056 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.557 6.043 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.123 3.475 1.340 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.494 3.531 2.975 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.298 2.242 2.194 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.728 2.447 3.233 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.406 3.636 3.295 1.00 0.00 H new ATOM 588 N THR A 419 14.527 6.846 0.404 1.00 0.00 N ATOM 589 CA THR A 419 14.966 8.050 -0.292 1.00 0.00 C ATOM 590 C THR A 419 13.758 8.819 -0.820 1.00 0.00 C ATOM 591 O THR A 419 12.630 8.332 -0.747 1.00 0.00 O ATOM 592 CB THR A 419 15.914 7.693 -1.442 1.00 0.00 C ATOM 593 OG1 THR A 419 15.184 7.332 -2.600 1.00 0.00 O ATOM 594 CG2 THR A 419 16.853 6.551 -1.117 1.00 0.00 C ATOM 0 H THR A 419 14.756 5.975 -0.074 1.00 0.00 H new ATOM 0 HA THR A 419 15.506 8.682 0.413 1.00 0.00 H new ATOM 0 HB THR A 419 16.508 8.591 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.807 7.109 -3.323 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.495 6.352 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.468 6.819 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.273 5.658 -0.883 1.00 0.00 H new ATOM 602 N PRO A 420 13.967 10.033 -1.356 1.00 0.00 N ATOM 603 CA PRO A 420 12.872 10.852 -1.886 1.00 0.00 C ATOM 604 C PRO A 420 12.035 10.100 -2.914 1.00 0.00 C ATOM 605 O PRO A 420 10.821 9.968 -2.758 1.00 0.00 O ATOM 606 CB PRO A 420 13.590 12.039 -2.533 1.00 0.00 C ATOM 607 CG PRO A 420 14.898 12.121 -1.826 1.00 0.00 C ATOM 608 CD PRO A 420 15.273 10.705 -1.485 1.00 0.00 C ATOM 0 HA PRO A 420 12.167 11.144 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.727 11.883 -3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.018 12.959 -2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.655 12.584 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.818 12.731 -0.926 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.884 10.251 -2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.846 10.652 -0.560 1.00 0.00 H new ATOM 616 N GLU A 421 12.687 9.599 -3.957 1.00 0.00 N ATOM 617 CA GLU A 421 11.987 8.850 -4.994 1.00 0.00 C ATOM 618 C GLU A 421 11.301 7.634 -4.386 1.00 0.00 C ATOM 619 O GLU A 421 10.159 7.320 -4.719 1.00 0.00 O ATOM 620 CB GLU A 421 12.962 8.414 -6.090 1.00 0.00 C ATOM 621 CG GLU A 421 13.583 9.575 -6.849 1.00 0.00 C ATOM 622 CD GLU A 421 14.493 9.118 -7.974 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.823 7.914 -8.019 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.875 9.964 -8.809 1.00 0.00 O ATOM 0 H GLU A 421 13.691 9.697 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 421 11.231 9.496 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.756 7.818 -5.642 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.438 7.769 -6.795 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.791 10.201 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.152 10.195 -6.156 1.00 0.00 H new ATOM 631 N GLU A 422 12.005 6.963 -3.481 1.00 0.00 N ATOM 632 CA GLU A 422 11.462 5.793 -2.809 1.00 0.00 C ATOM 633 C GLU A 422 10.274 6.185 -1.941 1.00 0.00 C ATOM 634 O GLU A 422 9.323 5.417 -1.790 1.00 0.00 O ATOM 635 CB GLU A 422 12.537 5.118 -1.954 1.00 0.00 C ATOM 636 CG GLU A 422 13.575 4.362 -2.768 1.00 0.00 C ATOM 637 CD GLU A 422 14.653 3.736 -1.903 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.730 4.082 -0.706 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.420 2.900 -2.425 1.00 0.00 O ATOM 0 H GLU A 422 12.953 7.211 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 422 11.126 5.086 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.040 5.875 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.057 4.427 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.080 3.582 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.038 5.043 -3.482 1.00 0.00 H new ATOM 646 N LYS A 423 10.328 7.390 -1.380 1.00 0.00 N ATOM 647 CA LYS A 423 9.248 7.883 -0.538 1.00 0.00 C ATOM 648 C LYS A 423 7.983 8.079 -1.362 1.00 0.00 C ATOM 649 O LYS A 423 6.875 7.825 -0.892 1.00 0.00 O ATOM 650 CB LYS A 423 9.651 9.201 0.129 1.00 0.00 C ATOM 651 CG LYS A 423 8.699 9.639 1.230 1.00 0.00 C ATOM 652 CD LYS A 423 9.159 10.932 1.883 1.00 0.00 C ATOM 653 CE LYS A 423 8.384 11.220 3.159 1.00 0.00 C ATOM 654 NZ LYS A 423 7.074 11.870 2.877 1.00 0.00 N ATOM 0 H LYS A 423 11.106 8.039 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 423 9.050 7.144 0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.653 9.097 0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.701 9.982 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.700 9.775 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.628 8.855 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.223 10.868 2.110 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.031 11.759 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 423 8.218 10.289 3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.978 11.865 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 6.894 12.610 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 7.095 12.296 1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 6.317 11.158 2.920 1.00 0.00 H new ATOM 668 N GLU A 424 8.161 8.524 -2.602 1.00 0.00 N ATOM 669 CA GLU A 424 7.037 8.746 -3.502 1.00 0.00 C ATOM 670 C GLU A 424 6.341 7.431 -3.826 1.00 0.00 C ATOM 671 O GLU A 424 5.116 7.341 -3.781 1.00 0.00 O ATOM 672 CB GLU A 424 7.514 9.422 -4.790 1.00 0.00 C ATOM 673 CG GLU A 424 7.705 10.923 -4.654 1.00 0.00 C ATOM 674 CD GLU A 424 8.127 11.580 -5.954 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.498 10.848 -6.896 1.00 0.00 O ATOM 676 OE2 GLU A 424 8.087 12.826 -6.031 1.00 0.00 O ATOM 0 H GLU A 424 9.073 8.738 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 424 6.323 9.401 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.457 8.971 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.791 9.226 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.774 11.374 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.457 11.122 -3.891 1.00 0.00 H new ATOM 683 N ALA A 425 7.129 6.406 -4.142 1.00 0.00 N ATOM 684 CA ALA A 425 6.578 5.094 -4.460 1.00 0.00 C ATOM 685 C ALA A 425 5.746 4.567 -3.298 1.00 0.00 C ATOM 686 O ALA A 425 4.786 3.822 -3.490 1.00 0.00 O ATOM 687 CB ALA A 425 7.694 4.118 -4.803 1.00 0.00 C ATOM 0 H ALA A 425 8.147 6.459 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 425 5.928 5.195 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.266 3.144 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.249 4.488 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.368 4.022 -3.952 1.00 0.00 H new ATOM 693 N TYR A 426 6.119 4.978 -2.095 1.00 0.00 N ATOM 694 CA TYR A 426 5.413 4.574 -0.887 1.00 0.00 C ATOM 695 C TYR A 426 4.042 5.226 -0.836 1.00 0.00 C ATOM 696 O TYR A 426 3.034 4.578 -0.556 1.00 0.00 O ATOM 697 CB TYR A 426 6.210 4.993 0.347 1.00 0.00 C ATOM 698 CG TYR A 426 5.600 4.540 1.652 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.386 3.192 1.915 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.237 5.463 2.623 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.827 2.780 3.110 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.679 5.061 3.820 1.00 0.00 C ATOM 703 CZ TYR A 426 4.475 3.717 4.058 1.00 0.00 C ATOM 704 OH TYR A 426 3.919 3.310 5.250 1.00 0.00 O ATOM 0 H TYR A 426 6.913 5.596 -1.929 1.00 0.00 H new ATOM 0 HA TYR A 426 5.298 3.490 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.220 4.589 0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.301 6.079 0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.661 2.455 1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.394 6.515 2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.667 1.729 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.404 5.793 4.565 1.00 0.00 H new ATOM 0 HH TYR A 426 3.730 4.094 5.807 1.00 0.00 H new ATOM 714 N ILE A 427 4.029 6.524 -1.101 1.00 0.00 N ATOM 715 CA ILE A 427 2.807 7.307 -1.082 1.00 0.00 C ATOM 716 C ILE A 427 1.966 7.060 -2.333 1.00 0.00 C ATOM 717 O ILE A 427 0.736 7.085 -2.279 1.00 0.00 O ATOM 718 CB ILE A 427 3.136 8.807 -0.963 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.851 9.084 0.362 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.873 9.642 -1.072 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.095 9.932 0.215 1.00 0.00 C ATOM 0 H ILE A 427 4.864 7.061 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 427 2.227 6.994 -0.214 1.00 0.00 H new ATOM 0 HB ILE A 427 3.798 9.085 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.159 9.583 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.121 8.135 0.824 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.127 10.699 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.399 9.460 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.185 9.367 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.548 10.087 1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.806 9.425 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.829 10.896 -0.218 1.00 0.00 H new ATOM 733 N ALA A 428 2.634 6.825 -3.456 1.00 0.00 N ATOM 734 CA ALA A 428 1.942 6.581 -4.714 1.00 0.00 C ATOM 735 C ALA A 428 1.107 5.306 -4.644 1.00 0.00 C ATOM 736 O ALA A 428 -0.051 5.288 -5.060 1.00 0.00 O ATOM 737 CB ALA A 428 2.941 6.497 -5.858 1.00 0.00 C ATOM 0 H ALA A 428 3.652 6.798 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 428 1.266 7.417 -4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.410 6.314 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.491 7.435 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.639 5.681 -5.672 1.00 0.00 H new ATOM 743 N MET A 429 1.702 4.242 -4.114 1.00 0.00 N ATOM 744 CA MET A 429 1.010 2.964 -3.990 1.00 0.00 C ATOM 745 C MET A 429 -0.204 3.090 -3.076 1.00 0.00 C ATOM 746 O MET A 429 -1.243 2.476 -3.320 1.00 0.00 O ATOM 747 CB MET A 429 1.960 1.894 -3.450 1.00 0.00 C ATOM 748 CG MET A 429 3.012 1.453 -4.454 1.00 0.00 C ATOM 749 SD MET A 429 4.003 0.068 -3.859 1.00 0.00 S ATOM 750 CE MET A 429 4.694 0.765 -2.362 1.00 0.00 C ATOM 0 H MET A 429 2.660 4.239 -3.764 1.00 0.00 H new ATOM 0 HA MET A 429 0.668 2.668 -4.982 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.458 2.278 -2.559 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.378 1.026 -3.141 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.523 1.171 -5.386 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.668 2.294 -4.680 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.782 0.719 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.379 1.804 -2.265 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.343 0.197 -1.500 1.00 0.00 H new