USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 397 MET CE :methyl -110:sc= -3.25 (180deg=-5.8!) USER MOD Single : A 404 SER OG : rot 118:sc= -0.858 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 -27:sc= 0.174 USER MOD Single : A 410 GLN : amide:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 418 MET CE :methyl -125:sc= -1.62 (180deg=-5.54!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -2.94 USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -171:sc= -2.84! (180deg=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.758 -5.171 -2.619 1.00 0.00 N ATOM 212 CA ILE A 395 6.125 -4.905 -2.190 1.00 0.00 C ATOM 213 C ILE A 395 6.470 -3.427 -2.336 1.00 0.00 C ATOM 214 O ILE A 395 6.016 -2.760 -3.265 1.00 0.00 O ATOM 215 CB ILE A 395 7.140 -5.740 -2.998 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.764 -7.222 -2.952 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.550 -5.530 -2.461 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.846 -7.824 -1.566 1.00 0.00 C ATOM 0 HA ILE A 395 6.187 -5.187 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 395 7.115 -5.408 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.750 -7.343 -3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.423 -7.777 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.253 -6.126 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.816 -4.476 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.591 -5.837 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.566 -8.877 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.865 -7.735 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.166 -7.295 -0.899 1.00 0.00 H new ATOM 230 N VAL A 396 7.280 -2.924 -1.410 1.00 0.00 N ATOM 231 CA VAL A 396 7.693 -1.527 -1.430 1.00 0.00 C ATOM 232 C VAL A 396 9.215 -1.414 -1.397 1.00 0.00 C ATOM 233 O VAL A 396 9.888 -2.174 -0.702 1.00 0.00 O ATOM 234 CB VAL A 396 7.094 -0.747 -0.240 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.610 -1.295 1.082 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.396 0.739 -0.363 1.00 0.00 C ATOM 0 H VAL A 396 7.664 -3.465 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 396 7.319 -1.091 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 396 6.012 -0.877 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.174 -0.729 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.331 -2.345 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.696 -1.204 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 396 6.965 1.269 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.475 0.891 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.965 1.123 -1.288 1.00 0.00 H new ATOM 246 N MET A 397 9.753 -0.464 -2.152 1.00 0.00 N ATOM 247 CA MET A 397 11.196 -0.261 -2.204 1.00 0.00 C ATOM 248 C MET A 397 11.670 0.576 -1.021 1.00 0.00 C ATOM 249 O MET A 397 11.335 1.755 -0.908 1.00 0.00 O ATOM 250 CB MET A 397 11.589 0.420 -3.516 1.00 0.00 C ATOM 251 CG MET A 397 11.361 -0.446 -4.744 1.00 0.00 C ATOM 252 SD MET A 397 12.661 -1.672 -4.981 1.00 0.00 S ATOM 253 CE MET A 397 12.098 -2.978 -3.892 1.00 0.00 C ATOM 0 H MET A 397 9.214 0.176 -2.735 1.00 0.00 H new ATOM 0 HA MET A 397 11.678 -1.237 -2.151 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.018 1.343 -3.622 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.642 0.700 -3.469 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.401 -0.954 -4.652 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.302 0.191 -5.627 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.764 -3.047 -3.032 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.087 -2.757 -3.551 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.101 -3.926 -4.429 1.00 0.00 H new ATOM 263 N VAL A 398 12.456 -0.042 -0.144 1.00 0.00 N ATOM 264 CA VAL A 398 12.980 0.648 1.028 1.00 0.00 C ATOM 265 C VAL A 398 14.501 0.739 0.973 1.00 0.00 C ATOM 266 O VAL A 398 15.197 -0.270 1.086 1.00 0.00 O ATOM 267 CB VAL A 398 12.568 -0.057 2.334 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.954 0.785 3.541 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.076 -0.352 2.332 1.00 0.00 C ATOM 0 H VAL A 398 12.743 -1.018 -0.223 1.00 0.00 H new ATOM 0 HA VAL A 398 12.553 1.651 1.019 1.00 0.00 H new ATOM 0 HB VAL A 398 13.102 -1.005 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.655 0.271 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.033 0.938 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.451 1.750 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.802 -0.850 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.521 0.582 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.834 -0.999 1.489 1.00 0.00 H new ATOM 279 N ALA A 399 15.012 1.953 0.797 1.00 0.00 N ATOM 280 CA ALA A 399 16.451 2.175 0.724 1.00 0.00 C ATOM 281 C ALA A 399 17.092 1.306 -0.356 1.00 0.00 C ATOM 282 O ALA A 399 18.286 1.011 -0.300 1.00 0.00 O ATOM 283 CB ALA A 399 17.095 1.898 2.075 1.00 0.00 C ATOM 0 H ALA A 399 14.450 2.799 0.702 1.00 0.00 H new ATOM 0 HA ALA A 399 16.618 3.219 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.170 2.067 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.669 2.565 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.908 0.863 2.362 1.00 0.00 H new ATOM 289 N GLY A 400 16.293 0.902 -1.339 1.00 0.00 N ATOM 290 CA GLY A 400 16.805 0.074 -2.416 1.00 0.00 C ATOM 291 C GLY A 400 16.448 -1.392 -2.250 1.00 0.00 C ATOM 292 O GLY A 400 16.491 -2.158 -3.213 1.00 0.00 O ATOM 0 H GLY A 400 15.302 1.133 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.409 0.435 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.889 0.176 -2.463 1.00 0.00 H new ATOM 296 N ARG A 401 16.099 -1.787 -1.030 1.00 0.00 N ATOM 297 CA ARG A 401 15.738 -3.174 -0.750 1.00 0.00 C ATOM 298 C ARG A 401 14.222 -3.347 -0.707 1.00 0.00 C ATOM 299 O ARG A 401 13.498 -2.453 -0.269 1.00 0.00 O ATOM 300 CB ARG A 401 16.353 -3.624 0.577 1.00 0.00 C ATOM 301 CG ARG A 401 17.773 -4.146 0.443 1.00 0.00 C ATOM 302 CD ARG A 401 18.138 -5.068 1.596 1.00 0.00 C ATOM 303 NE ARG A 401 17.974 -6.477 1.243 1.00 0.00 N ATOM 304 CZ ARG A 401 18.109 -7.478 2.110 1.00 0.00 C ATOM 305 NH1 ARG A 401 18.411 -7.232 3.379 1.00 0.00 N ATOM 306 NH2 ARG A 401 17.942 -8.731 1.707 1.00 0.00 N ATOM 0 H ARG A 401 16.058 -1.168 -0.220 1.00 0.00 H new ATOM 0 HA ARG A 401 16.132 -3.795 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.347 -2.785 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.728 -4.404 1.012 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.877 -4.682 -0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.469 -3.308 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 401 19.171 -4.886 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 401 17.513 -4.835 2.458 1.00 0.00 H new ATOM 0 HE ARG A 401 17.743 -6.706 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 401 18.541 -6.271 3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 401 18.513 -8.004 4.038 1.00 0.00 H new ATOM 0 HH21 ARG A 401 17.710 -8.927 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 401 18.045 -9.498 2.371 1.00 0.00 H new ATOM 320 N PRO A 402 13.718 -4.508 -1.165 1.00 0.00 N ATOM 321 CA PRO A 402 12.281 -4.797 -1.177 1.00 0.00 C ATOM 322 C PRO A 402 11.741 -5.120 0.212 1.00 0.00 C ATOM 323 O PRO A 402 12.354 -5.872 0.969 1.00 0.00 O ATOM 324 CB PRO A 402 12.179 -6.020 -2.086 1.00 0.00 C ATOM 325 CG PRO A 402 13.488 -6.713 -1.929 1.00 0.00 C ATOM 326 CD PRO A 402 14.511 -5.630 -1.707 1.00 0.00 C ATOM 0 HA PRO A 402 11.695 -3.943 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.351 -6.665 -1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 402 12.005 -5.731 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.464 -7.405 -1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.727 -7.299 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.286 -5.947 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.012 -5.355 -2.635 1.00 0.00 H new ATOM 334 N PHE A 403 10.587 -4.548 0.540 1.00 0.00 N ATOM 335 CA PHE A 403 9.958 -4.776 1.836 1.00 0.00 C ATOM 336 C PHE A 403 8.440 -4.746 1.713 1.00 0.00 C ATOM 337 O PHE A 403 7.894 -4.133 0.796 1.00 0.00 O ATOM 338 CB PHE A 403 10.421 -3.722 2.843 1.00 0.00 C ATOM 339 CG PHE A 403 11.805 -3.968 3.374 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.914 -3.461 2.715 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.997 -4.704 4.533 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.188 -3.685 3.202 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.268 -4.931 5.023 1.00 0.00 C ATOM 344 CZ PHE A 403 14.366 -4.420 4.357 1.00 0.00 C ATOM 0 H PHE A 403 10.068 -3.922 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 403 10.257 -5.762 2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.391 -2.741 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.720 -3.695 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.781 -2.885 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 403 11.143 -5.104 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.044 -3.285 2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.404 -5.507 5.926 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.361 -4.595 4.739 1.00 0.00 H new ATOM 354 N SER A 404 7.759 -5.407 2.643 1.00 0.00 N ATOM 355 CA SER A 404 6.303 -5.447 2.632 1.00 0.00 C ATOM 356 C SER A 404 5.728 -4.123 3.127 1.00 0.00 C ATOM 357 O SER A 404 6.216 -3.550 4.100 1.00 0.00 O ATOM 358 CB SER A 404 5.793 -6.600 3.499 1.00 0.00 C ATOM 359 OG SER A 404 5.737 -6.227 4.865 1.00 0.00 O ATOM 0 H SER A 404 8.191 -5.920 3.411 1.00 0.00 H new ATOM 0 HA SER A 404 5.972 -5.609 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.802 -6.902 3.161 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.447 -7.464 3.382 1.00 0.00 H new ATOM 0 HG SER A 404 4.810 -6.272 5.179 1.00 0.00 H new ATOM 365 N TYR A 405 4.692 -3.641 2.448 1.00 0.00 N ATOM 366 CA TYR A 405 4.054 -2.383 2.819 1.00 0.00 C ATOM 367 C TYR A 405 3.608 -2.405 4.278 1.00 0.00 C ATOM 368 O TYR A 405 3.649 -1.385 4.966 1.00 0.00 O ATOM 369 CB TYR A 405 2.857 -2.107 1.910 1.00 0.00 C ATOM 370 CG TYR A 405 2.291 -0.713 2.059 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.926 0.379 1.482 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.123 -0.489 2.776 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.414 1.655 1.615 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.604 0.784 2.914 1.00 0.00 C ATOM 375 CZ TYR A 405 1.253 1.853 2.332 1.00 0.00 C ATOM 376 OH TYR A 405 0.738 3.122 2.467 1.00 0.00 O ATOM 0 H TYR A 405 4.277 -4.102 1.639 1.00 0.00 H new ATOM 0 HA TYR A 405 4.786 -1.585 2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.156 -2.259 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.073 -2.833 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.836 0.228 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.612 -1.323 3.233 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.920 2.493 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.305 0.941 3.475 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.084 3.087 3.000 1.00 0.00 H new ATOM 386 N SER A 406 3.185 -3.576 4.743 1.00 0.00 N ATOM 387 CA SER A 406 2.734 -3.732 6.121 1.00 0.00 C ATOM 388 C SER A 406 3.874 -3.472 7.102 1.00 0.00 C ATOM 389 O SER A 406 3.670 -2.882 8.162 1.00 0.00 O ATOM 390 CB SER A 406 2.169 -5.137 6.338 1.00 0.00 C ATOM 391 OG SER A 406 1.147 -5.426 5.401 1.00 0.00 O ATOM 0 H SER A 406 3.145 -4.430 4.186 1.00 0.00 H new ATOM 0 HA SER A 406 1.949 -2.999 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.969 -5.872 6.247 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.773 -5.221 7.350 1.00 0.00 H new ATOM 0 HG SER A 406 0.804 -6.330 5.560 1.00 0.00 H new ATOM 397 N GLU A 407 5.073 -3.916 6.741 1.00 0.00 N ATOM 398 CA GLU A 407 6.245 -3.732 7.591 1.00 0.00 C ATOM 399 C GLU A 407 6.659 -2.267 7.643 1.00 0.00 C ATOM 400 O GLU A 407 7.214 -1.801 8.639 1.00 0.00 O ATOM 401 CB GLU A 407 7.408 -4.591 7.091 1.00 0.00 C ATOM 402 CG GLU A 407 7.843 -5.661 8.079 1.00 0.00 C ATOM 403 CD GLU A 407 9.026 -6.471 7.582 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.394 -6.321 6.398 1.00 0.00 O ATOM 405 OE2 GLU A 407 9.585 -7.255 8.379 1.00 0.00 O ATOM 0 H GLU A 407 5.259 -4.406 5.866 1.00 0.00 H new ATOM 0 HA GLU A 407 5.981 -4.048 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 407 7.120 -5.069 6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 407 8.258 -3.945 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.103 -5.190 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.006 -6.331 8.275 1.00 0.00 H new ATOM 412 N VAL A 408 6.387 -1.548 6.564 1.00 0.00 N ATOM 413 CA VAL A 408 6.730 -0.134 6.482 1.00 0.00 C ATOM 414 C VAL A 408 5.870 0.694 7.433 1.00 0.00 C ATOM 415 O VAL A 408 6.385 1.509 8.198 1.00 0.00 O ATOM 416 CB VAL A 408 6.559 0.405 5.047 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.017 1.853 4.962 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.315 -0.463 4.051 1.00 0.00 C ATOM 0 H VAL A 408 5.929 -1.920 5.732 1.00 0.00 H new ATOM 0 HA VAL A 408 7.777 -0.044 6.771 1.00 0.00 H new ATOM 0 HB VAL A 408 5.500 0.367 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 408 6.889 2.216 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.422 2.463 5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.069 1.919 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.180 -0.064 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.376 -0.465 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.931 -1.482 4.092 1.00 0.00 H new ATOM 428 N SER A 409 4.561 0.478 7.378 1.00 0.00 N ATOM 429 CA SER A 409 3.632 1.205 8.236 1.00 0.00 C ATOM 430 C SER A 409 3.828 0.824 9.699 1.00 0.00 C ATOM 431 O SER A 409 3.577 1.624 10.601 1.00 0.00 O ATOM 432 CB SER A 409 2.188 0.929 7.812 1.00 0.00 C ATOM 433 OG SER A 409 1.827 -0.417 8.074 1.00 0.00 O ATOM 0 H SER A 409 4.119 -0.193 6.750 1.00 0.00 H new ATOM 0 HA SER A 409 3.836 2.270 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.515 1.600 8.346 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.071 1.140 6.749 1.00 0.00 H new ATOM 0 HG SER A 409 2.628 -0.981 8.050 1.00 0.00 H new ATOM 439 N GLN A 410 4.278 -0.402 9.923 1.00 0.00 N ATOM 440 CA GLN A 410 4.512 -0.897 11.274 1.00 0.00 C ATOM 441 C GLN A 410 5.868 -0.436 11.801 1.00 0.00 C ATOM 442 O GLN A 410 6.082 -0.362 13.010 1.00 0.00 O ATOM 443 CB GLN A 410 4.434 -2.425 11.302 1.00 0.00 C ATOM 444 CG GLN A 410 3.027 -2.966 11.108 1.00 0.00 C ATOM 445 CD GLN A 410 2.970 -4.479 11.172 1.00 0.00 C ATOM 446 OE1 GLN A 410 2.891 -5.064 12.252 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.012 -5.123 10.011 1.00 0.00 N ATOM 0 H GLN A 410 4.489 -1.074 9.186 1.00 0.00 H new ATOM 0 HA GLN A 410 3.735 -0.488 11.920 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.080 -2.828 10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.824 -2.783 12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.373 -2.549 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.643 -2.632 10.144 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.078 -4.598 9.139 1.00 0.00 H new ATOM 0 HE22 GLN A 410 2.979 -6.142 9.992 1.00 0.00 H new ATOM 456 N ARG A 411 6.777 -0.127 10.885 1.00 0.00 N ATOM 457 CA ARG A 411 8.112 0.327 11.255 1.00 0.00 C ATOM 458 C ARG A 411 8.417 1.687 10.632 1.00 0.00 C ATOM 459 O ARG A 411 9.028 1.768 9.566 1.00 0.00 O ATOM 460 CB ARG A 411 9.162 -0.695 10.813 1.00 0.00 C ATOM 461 CG ARG A 411 9.190 -1.948 11.674 1.00 0.00 C ATOM 462 CD ARG A 411 10.162 -2.979 11.124 1.00 0.00 C ATOM 463 NE ARG A 411 9.664 -4.343 11.283 1.00 0.00 N ATOM 464 CZ ARG A 411 9.499 -4.938 12.462 1.00 0.00 C ATOM 465 NH1 ARG A 411 9.790 -4.294 13.586 1.00 0.00 N ATOM 466 NH2 ARG A 411 9.040 -6.181 12.517 1.00 0.00 N ATOM 0 H ARG A 411 6.614 -0.182 9.880 1.00 0.00 H new ATOM 0 HA ARG A 411 8.146 0.428 12.340 1.00 0.00 H new ATOM 0 HB2 ARG A 411 8.968 -0.979 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.146 -0.226 10.836 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.475 -1.685 12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.190 -2.379 11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.342 -2.780 10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.120 -2.882 11.634 1.00 0.00 H new ATOM 0 HE ARG A 411 9.429 -4.870 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 411 10.142 -3.337 13.549 1.00 0.00 H new ATOM 0 HH12 ARG A 411 9.661 -4.756 14.486 1.00 0.00 H new ATOM 0 HH21 ARG A 411 8.814 -6.680 11.656 1.00 0.00 H new ATOM 0 HH22 ARG A 411 8.913 -6.638 13.420 1.00 0.00 H new ATOM 480 N PRO A 412 7.992 2.778 11.291 1.00 0.00 N ATOM 481 CA PRO A 412 8.222 4.140 10.797 1.00 0.00 C ATOM 482 C PRO A 412 9.687 4.394 10.459 1.00 0.00 C ATOM 483 O PRO A 412 10.004 5.249 9.632 1.00 0.00 O ATOM 484 CB PRO A 412 7.782 5.023 11.967 1.00 0.00 C ATOM 485 CG PRO A 412 6.796 4.195 12.716 1.00 0.00 C ATOM 486 CD PRO A 412 7.254 2.771 12.569 1.00 0.00 C ATOM 0 HA PRO A 412 7.679 4.334 9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.629 5.297 12.597 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.333 5.952 11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.759 4.487 13.766 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.791 4.325 12.314 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.891 2.466 13.399 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.412 2.079 12.543 1.00 0.00 H new ATOM 494 N GLU A 413 10.577 3.646 11.103 1.00 0.00 N ATOM 495 CA GLU A 413 12.009 3.791 10.870 1.00 0.00 C ATOM 496 C GLU A 413 12.355 3.492 9.419 1.00 0.00 C ATOM 497 O GLU A 413 13.235 4.121 8.832 1.00 0.00 O ATOM 498 CB GLU A 413 12.795 2.861 11.794 1.00 0.00 C ATOM 499 CG GLU A 413 12.410 1.397 11.656 1.00 0.00 C ATOM 500 CD GLU A 413 13.117 0.509 12.660 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.054 0.994 13.327 1.00 0.00 O ATOM 502 OE2 GLU A 413 12.734 -0.674 12.780 1.00 0.00 O ATOM 0 H GLU A 413 10.332 2.933 11.790 1.00 0.00 H new ATOM 0 HA GLU A 413 12.284 4.823 11.086 1.00 0.00 H new ATOM 0 HB2 GLU A 413 13.859 2.969 11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.640 3.173 12.827 1.00 0.00 H new ATOM 0 HG2 GLU A 413 11.332 1.296 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 413 12.645 1.057 10.647 1.00 0.00 H new ATOM 509 N LEU A 414 11.652 2.526 8.851 1.00 0.00 N ATOM 510 CA LEU A 414 11.871 2.129 7.466 1.00 0.00 C ATOM 511 C LEU A 414 11.607 3.293 6.519 1.00 0.00 C ATOM 512 O LEU A 414 12.342 3.501 5.553 1.00 0.00 O ATOM 513 CB LEU A 414 10.971 0.947 7.103 1.00 0.00 C ATOM 514 CG LEU A 414 11.138 -0.290 7.988 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.252 -1.424 7.494 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.594 -0.727 8.024 1.00 0.00 C ATOM 0 H LEU A 414 10.921 1.999 9.329 1.00 0.00 H new ATOM 0 HA LEU A 414 12.913 1.828 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.932 1.273 7.152 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.168 0.664 6.069 1.00 0.00 H new ATOM 0 HG LEU A 414 10.831 -0.032 9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.384 -2.295 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.209 -1.109 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.527 -1.682 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.694 -1.608 8.658 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.927 -0.967 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.206 0.080 8.426 1.00 0.00 H new ATOM 528 N VAL A 415 10.554 4.054 6.802 1.00 0.00 N ATOM 529 CA VAL A 415 10.197 5.199 5.976 1.00 0.00 C ATOM 530 C VAL A 415 11.307 6.244 5.990 1.00 0.00 C ATOM 531 O VAL A 415 11.571 6.899 4.981 1.00 0.00 O ATOM 532 CB VAL A 415 8.884 5.850 6.451 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.454 6.954 5.496 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.791 4.800 6.591 1.00 0.00 C ATOM 0 H VAL A 415 9.934 3.897 7.597 1.00 0.00 H new ATOM 0 HA VAL A 415 10.058 4.829 4.960 1.00 0.00 H new ATOM 0 HB VAL A 415 9.056 6.299 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.525 7.400 5.850 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.230 7.719 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.299 6.535 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.870 5.276 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.621 4.321 5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.098 4.050 7.319 1.00 0.00 H new ATOM 544 N ALA A 416 11.958 6.393 7.140 1.00 0.00 N ATOM 545 CA ALA A 416 13.044 7.355 7.282 1.00 0.00 C ATOM 546 C ALA A 416 14.234 6.965 6.415 1.00 0.00 C ATOM 547 O ALA A 416 14.989 7.820 5.953 1.00 0.00 O ATOM 548 CB ALA A 416 13.462 7.470 8.740 1.00 0.00 C ATOM 0 H ALA A 416 11.752 5.860 7.985 1.00 0.00 H new ATOM 0 HA ALA A 416 12.684 8.327 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.274 8.192 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.613 7.803 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.800 6.498 9.099 1.00 0.00 H new ATOM 554 N GLN A 417 14.387 5.667 6.196 1.00 0.00 N ATOM 555 CA GLN A 417 15.479 5.150 5.380 1.00 0.00 C ATOM 556 C GLN A 417 15.146 5.248 3.892 1.00 0.00 C ATOM 557 O GLN A 417 16.031 5.154 3.041 1.00 0.00 O ATOM 558 CB GLN A 417 15.777 3.696 5.751 1.00 0.00 C ATOM 559 CG GLN A 417 16.267 3.522 7.179 1.00 0.00 C ATOM 560 CD GLN A 417 16.511 2.069 7.539 1.00 0.00 C ATOM 561 OE1 GLN A 417 16.044 1.161 6.851 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.245 1.842 8.621 1.00 0.00 N ATOM 0 H GLN A 417 13.767 4.950 6.573 1.00 0.00 H new ATOM 0 HA GLN A 417 16.362 5.758 5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.874 3.101 5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.529 3.302 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.190 4.086 7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.533 3.944 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.612 2.625 9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.442 0.884 8.912 1.00 0.00 H new ATOM 571 N MET A 418 13.865 5.435 3.585 1.00 0.00 N ATOM 572 CA MET A 418 13.416 5.542 2.202 1.00 0.00 C ATOM 573 C MET A 418 13.845 6.869 1.585 1.00 0.00 C ATOM 574 O MET A 418 13.573 7.937 2.135 1.00 0.00 O ATOM 575 CB MET A 418 11.894 5.409 2.129 1.00 0.00 C ATOM 576 CG MET A 418 11.418 3.983 1.916 1.00 0.00 C ATOM 577 SD MET A 418 9.781 3.903 1.166 1.00 0.00 S ATOM 578 CE MET A 418 8.926 2.849 2.335 1.00 0.00 C ATOM 0 H MET A 418 13.120 5.515 4.277 1.00 0.00 H new ATOM 0 HA MET A 418 13.878 4.733 1.636 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.459 5.794 3.051 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.522 6.033 1.316 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.131 3.457 1.281 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.401 3.463 2.874 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.496 1.996 1.809 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.630 2.494 3.087 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.131 3.414 2.821 1.00 0.00 H new ATOM 588 N THR A 419 14.506 6.796 0.434 1.00 0.00 N ATOM 589 CA THR A 419 14.957 7.994 -0.262 1.00 0.00 C ATOM 590 C THR A 419 13.758 8.795 -0.762 1.00 0.00 C ATOM 591 O THR A 419 12.635 8.294 -0.770 1.00 0.00 O ATOM 592 CB THR A 419 15.864 7.617 -1.434 1.00 0.00 C ATOM 593 OG1 THR A 419 15.427 6.413 -2.038 1.00 0.00 O ATOM 594 CG2 THR A 419 17.312 7.430 -1.034 1.00 0.00 C ATOM 0 H THR A 419 14.740 5.921 -0.035 1.00 0.00 H new ATOM 0 HA THR A 419 15.525 8.609 0.436 1.00 0.00 H new ATOM 0 HB THR A 419 15.801 8.454 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 419 16.019 6.189 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.901 7.164 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.695 8.358 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 419 17.385 6.634 -0.293 1.00 0.00 H new ATOM 602 N PRO A 420 13.971 10.053 -1.182 1.00 0.00 N ATOM 603 CA PRO A 420 12.887 10.907 -1.676 1.00 0.00 C ATOM 604 C PRO A 420 12.049 10.218 -2.744 1.00 0.00 C ATOM 605 O PRO A 420 10.833 10.090 -2.602 1.00 0.00 O ATOM 606 CB PRO A 420 13.622 12.116 -2.257 1.00 0.00 C ATOM 607 CG PRO A 420 14.909 12.171 -1.508 1.00 0.00 C ATOM 608 CD PRO A 420 15.275 10.743 -1.205 1.00 0.00 C ATOM 0 HA PRO A 420 12.179 11.166 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.791 12.000 -3.327 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.046 13.032 -2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.685 12.655 -2.101 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.802 12.749 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.936 10.328 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.793 10.655 -0.250 1.00 0.00 H new ATOM 616 N GLU A 421 12.700 9.766 -3.811 1.00 0.00 N ATOM 617 CA GLU A 421 11.999 9.079 -4.887 1.00 0.00 C ATOM 618 C GLU A 421 11.320 7.826 -4.349 1.00 0.00 C ATOM 619 O GLU A 421 10.190 7.509 -4.720 1.00 0.00 O ATOM 620 CB GLU A 421 12.969 8.712 -6.011 1.00 0.00 C ATOM 621 CG GLU A 421 13.580 9.918 -6.705 1.00 0.00 C ATOM 622 CD GLU A 421 14.490 9.532 -7.856 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.831 8.335 -7.969 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.861 10.426 -8.645 1.00 0.00 O ATOM 0 H GLU A 421 13.706 9.863 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 421 11.240 9.749 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.769 8.095 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.444 8.106 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.782 10.561 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.146 10.501 -5.979 1.00 0.00 H new ATOM 631 N GLU A 422 12.015 7.129 -3.456 1.00 0.00 N ATOM 632 CA GLU A 422 11.478 5.921 -2.849 1.00 0.00 C ATOM 633 C GLU A 422 10.273 6.259 -1.981 1.00 0.00 C ATOM 634 O GLU A 422 9.329 5.476 -1.879 1.00 0.00 O ATOM 635 CB GLU A 422 12.549 5.219 -2.013 1.00 0.00 C ATOM 636 CG GLU A 422 13.611 4.523 -2.849 1.00 0.00 C ATOM 637 CD GLU A 422 14.635 3.790 -2.002 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.639 3.990 -0.769 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.430 3.015 -2.573 1.00 0.00 O ATOM 0 H GLU A 422 12.951 7.382 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 422 11.161 5.246 -3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.030 5.951 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.070 4.485 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.130 3.815 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.120 5.260 -3.470 1.00 0.00 H new ATOM 646 N LYS A 423 10.306 7.438 -1.362 1.00 0.00 N ATOM 647 CA LYS A 423 9.208 7.879 -0.514 1.00 0.00 C ATOM 648 C LYS A 423 7.948 8.075 -1.347 1.00 0.00 C ATOM 649 O LYS A 423 6.840 7.785 -0.897 1.00 0.00 O ATOM 650 CB LYS A 423 9.575 9.181 0.201 1.00 0.00 C ATOM 651 CG LYS A 423 8.598 9.564 1.302 1.00 0.00 C ATOM 652 CD LYS A 423 9.016 10.851 1.993 1.00 0.00 C ATOM 653 CE LYS A 423 8.212 11.088 3.262 1.00 0.00 C ATOM 654 NZ LYS A 423 8.769 12.206 4.071 1.00 0.00 N ATOM 0 H LYS A 423 11.079 8.100 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 423 9.019 7.112 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.572 9.082 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.620 9.988 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.600 9.684 0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.539 8.759 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.078 10.806 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.880 11.691 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.177 11.310 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.201 10.177 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.193 12.336 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.748 11.984 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.756 13.081 3.509 1.00 0.00 H new ATOM 668 N GLU A 424 8.130 8.561 -2.571 1.00 0.00 N ATOM 669 CA GLU A 424 7.013 8.789 -3.476 1.00 0.00 C ATOM 670 C GLU A 424 6.343 7.470 -3.840 1.00 0.00 C ATOM 671 O GLU A 424 5.119 7.355 -3.800 1.00 0.00 O ATOM 672 CB GLU A 424 7.493 9.504 -4.742 1.00 0.00 C ATOM 673 CG GLU A 424 7.575 11.014 -4.592 1.00 0.00 C ATOM 674 CD GLU A 424 6.235 11.640 -4.257 1.00 0.00 C ATOM 675 OE1 GLU A 424 5.198 10.980 -4.480 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.223 12.791 -3.772 1.00 0.00 O ATOM 0 H GLU A 424 9.042 8.804 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 424 6.283 9.421 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.476 9.120 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.817 9.265 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 424 8.292 11.259 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.953 11.447 -5.518 1.00 0.00 H new ATOM 683 N ALA A 425 7.153 6.471 -4.181 1.00 0.00 N ATOM 684 CA ALA A 425 6.630 5.156 -4.537 1.00 0.00 C ATOM 685 C ALA A 425 5.793 4.587 -3.400 1.00 0.00 C ATOM 686 O ALA A 425 4.841 3.838 -3.623 1.00 0.00 O ATOM 687 CB ALA A 425 7.768 4.210 -4.890 1.00 0.00 C ATOM 0 H ALA A 425 8.170 6.547 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 425 5.989 5.265 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.361 3.234 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.325 4.611 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.434 4.107 -4.033 1.00 0.00 H new ATOM 693 N TYR A 426 6.154 4.964 -2.182 1.00 0.00 N ATOM 694 CA TYR A 426 5.442 4.518 -0.991 1.00 0.00 C ATOM 695 C TYR A 426 4.058 5.143 -0.940 1.00 0.00 C ATOM 696 O TYR A 426 3.057 4.467 -0.703 1.00 0.00 O ATOM 697 CB TYR A 426 6.217 4.923 0.260 1.00 0.00 C ATOM 698 CG TYR A 426 5.603 4.426 1.548 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.462 3.067 1.799 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.164 5.321 2.515 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.900 2.616 2.979 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.603 4.879 3.695 1.00 0.00 C ATOM 703 CZ TYR A 426 4.472 3.525 3.923 1.00 0.00 C ATOM 704 OH TYR A 426 3.912 3.079 5.099 1.00 0.00 O ATOM 0 H TYR A 426 6.942 5.583 -1.991 1.00 0.00 H new ATOM 0 HA TYR A 426 5.348 3.433 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.235 4.542 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.285 6.010 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.796 2.352 1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.264 6.382 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.797 1.556 3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.268 5.589 4.436 1.00 0.00 H new ATOM 0 HH TYR A 426 3.665 3.847 5.656 1.00 0.00 H new ATOM 714 N ILE A 427 4.025 6.449 -1.160 1.00 0.00 N ATOM 715 CA ILE A 427 2.788 7.206 -1.137 1.00 0.00 C ATOM 716 C ILE A 427 1.963 6.966 -2.398 1.00 0.00 C ATOM 717 O ILE A 427 0.732 6.968 -2.354 1.00 0.00 O ATOM 718 CB ILE A 427 3.086 8.711 -0.989 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.778 8.981 0.351 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.809 9.524 -1.102 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.007 9.854 0.236 1.00 0.00 C ATOM 0 H ILE A 427 4.854 7.010 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 427 2.207 6.865 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 427 3.754 9.014 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.068 9.456 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.060 8.030 0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.042 10.583 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.352 9.350 -2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.116 9.223 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.443 10.001 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.737 9.371 -0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.729 10.820 -0.185 1.00 0.00 H new ATOM 733 N ALA A 428 2.644 6.762 -3.517 1.00 0.00 N ATOM 734 CA ALA A 428 1.970 6.524 -4.786 1.00 0.00 C ATOM 735 C ALA A 428 1.098 5.274 -4.718 1.00 0.00 C ATOM 736 O ALA A 428 -0.035 5.269 -5.201 1.00 0.00 O ATOM 737 CB ALA A 428 2.986 6.402 -5.911 1.00 0.00 C ATOM 0 H ALA A 428 3.662 6.756 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 428 1.322 7.377 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.467 6.224 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.562 7.325 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.659 5.569 -5.705 1.00 0.00 H new ATOM 743 N MET A 429 1.632 4.218 -4.115 1.00 0.00 N ATOM 744 CA MET A 429 0.900 2.962 -3.984 1.00 0.00 C ATOM 745 C MET A 429 -0.354 3.151 -3.138 1.00 0.00 C ATOM 746 O MET A 429 -1.398 2.561 -3.418 1.00 0.00 O ATOM 747 CB MET A 429 1.794 1.888 -3.359 1.00 0.00 C ATOM 748 CG MET A 429 2.884 1.385 -4.291 1.00 0.00 C ATOM 749 SD MET A 429 3.753 -0.052 -3.632 1.00 0.00 S ATOM 750 CE MET A 429 4.446 0.630 -2.128 1.00 0.00 C ATOM 0 H MET A 429 2.568 4.206 -3.709 1.00 0.00 H new ATOM 0 HA MET A 429 0.600 2.639 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.256 2.291 -2.458 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.174 1.046 -3.050 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.443 1.128 -5.254 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.600 2.186 -4.472 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.141 -0.086 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.975 1.555 -2.358 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.644 0.837 -1.419 1.00 0.00 H new