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 -156:sc= -3.31! (180deg=-3.78) USER MOD Single : A 404 SER OG : rot 143:sc= -1.8 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= 0.615 USER MOD Single : A 410 GLN : amide:sc=0.000911 X(o=0.00091,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 418 MET CE :methyl -149:sc= -2.9! (180deg=-4.96!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.0153 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 164:sc= -1.14 (180deg=-1.81!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.670 -5.080 -2.551 1.00 0.00 N ATOM 212 CA ILE A 395 6.072 -4.934 -2.180 1.00 0.00 C ATOM 213 C ILE A 395 6.535 -3.490 -2.336 1.00 0.00 C ATOM 214 O ILE A 395 6.297 -2.857 -3.364 1.00 0.00 O ATOM 215 CB ILE A 395 6.979 -5.847 -3.032 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.492 -7.296 -2.959 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.426 -5.746 -2.570 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.611 -7.903 -1.579 1.00 0.00 C ATOM 0 HA ILE A 395 6.153 -5.228 -1.134 1.00 0.00 H new ATOM 0 HB ILE A 395 6.928 -5.515 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.450 -7.337 -3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.065 -7.899 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.050 -6.397 -3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.769 -4.716 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.497 -6.053 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.248 -8.931 -1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.655 -7.894 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.016 -7.323 -0.874 1.00 0.00 H new ATOM 230 N VAL A 396 7.202 -2.979 -1.308 1.00 0.00 N ATOM 231 CA VAL A 396 7.707 -1.613 -1.323 1.00 0.00 C ATOM 232 C VAL A 396 9.229 -1.600 -1.222 1.00 0.00 C ATOM 233 O VAL A 396 9.816 -2.373 -0.467 1.00 0.00 O ATOM 234 CB VAL A 396 7.115 -0.785 -0.164 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.511 -1.380 1.178 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.553 0.670 -0.264 1.00 0.00 C ATOM 0 H VAL A 396 7.406 -3.493 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 396 7.402 -1.165 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 396 6.028 -0.817 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.083 -0.781 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.137 -2.401 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.597 -1.385 1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.125 1.237 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.641 0.727 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.208 1.090 -1.209 1.00 0.00 H new ATOM 246 N MET A 397 9.863 -0.721 -1.988 1.00 0.00 N ATOM 247 CA MET A 397 11.316 -0.618 -1.980 1.00 0.00 C ATOM 248 C MET A 397 11.790 0.328 -0.880 1.00 0.00 C ATOM 249 O MET A 397 11.533 1.530 -0.929 1.00 0.00 O ATOM 250 CB MET A 397 11.821 -0.133 -3.339 1.00 0.00 C ATOM 251 CG MET A 397 11.317 -0.964 -4.509 1.00 0.00 C ATOM 252 SD MET A 397 12.586 -2.050 -5.189 1.00 0.00 S ATOM 253 CE MET A 397 12.518 -3.416 -4.034 1.00 0.00 C ATOM 0 H MET A 397 9.396 -0.071 -2.620 1.00 0.00 H new ATOM 0 HA MET A 397 11.724 -1.609 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.515 0.903 -3.482 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.911 -0.146 -3.338 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.467 -1.564 -4.184 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.956 -0.299 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.472 -3.944 -4.038 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.318 -3.036 -3.032 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.723 -4.101 -4.327 1.00 0.00 H new ATOM 263 N VAL A 398 12.485 -0.225 0.108 1.00 0.00 N ATOM 264 CA VAL A 398 12.999 0.568 1.219 1.00 0.00 C ATOM 265 C VAL A 398 14.519 0.675 1.151 1.00 0.00 C ATOM 266 O VAL A 398 15.224 -0.333 1.199 1.00 0.00 O ATOM 267 CB VAL A 398 12.599 -0.038 2.579 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.039 0.867 3.720 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.099 -0.285 2.633 1.00 0.00 C ATOM 0 H VAL A 398 12.705 -1.219 0.162 1.00 0.00 H new ATOM 0 HA VAL A 398 12.558 1.561 1.132 1.00 0.00 H new ATOM 0 HB VAL A 398 13.107 -0.996 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.747 0.421 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.122 0.987 3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.563 1.842 3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.835 -0.713 3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.570 0.658 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.816 -0.978 1.840 1.00 0.00 H new ATOM 279 N ALA A 399 15.017 1.901 1.041 1.00 0.00 N ATOM 280 CA ALA A 399 16.455 2.138 0.967 1.00 0.00 C ATOM 281 C ALA A 399 17.083 1.382 -0.202 1.00 0.00 C ATOM 282 O ALA A 399 18.275 1.076 -0.186 1.00 0.00 O ATOM 283 CB ALA A 399 17.122 1.738 2.275 1.00 0.00 C ATOM 0 H ALA A 399 14.447 2.746 1.001 1.00 0.00 H new ATOM 0 HA ALA A 399 16.612 3.203 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.195 1.920 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.705 2.328 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.945 0.679 2.465 1.00 0.00 H new ATOM 289 N GLY A 400 16.275 1.086 -1.216 1.00 0.00 N ATOM 290 CA GLY A 400 16.773 0.371 -2.376 1.00 0.00 C ATOM 291 C GLY A 400 16.688 -1.137 -2.220 1.00 0.00 C ATOM 292 O GLY A 400 17.407 -1.877 -2.893 1.00 0.00 O ATOM 0 H GLY A 400 15.285 1.329 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.204 0.673 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.810 0.655 -2.554 1.00 0.00 H new ATOM 296 N ARG A 401 15.809 -1.595 -1.334 1.00 0.00 N ATOM 297 CA ARG A 401 15.635 -3.024 -1.099 1.00 0.00 C ATOM 298 C ARG A 401 14.154 -3.380 -0.993 1.00 0.00 C ATOM 299 O ARG A 401 13.341 -2.558 -0.575 1.00 0.00 O ATOM 300 CB ARG A 401 16.367 -3.445 0.176 1.00 0.00 C ATOM 301 CG ARG A 401 17.874 -3.261 0.102 1.00 0.00 C ATOM 302 CD ARG A 401 18.530 -3.481 1.455 1.00 0.00 C ATOM 303 NE ARG A 401 19.656 -2.575 1.671 1.00 0.00 N ATOM 304 CZ ARG A 401 20.843 -2.714 1.083 1.00 0.00 C ATOM 305 NH1 ARG A 401 21.061 -3.719 0.245 1.00 0.00 N ATOM 306 NH2 ARG A 401 21.812 -1.847 1.335 1.00 0.00 N ATOM 0 H ARG A 401 15.207 -0.998 -0.767 1.00 0.00 H new ATOM 0 HA ARG A 401 16.060 -3.562 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 401 15.980 -2.867 1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 401 16.147 -4.492 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.291 -3.959 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.102 -2.257 -0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.792 -3.336 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 401 18.875 -4.512 1.527 1.00 0.00 H new ATOM 0 HE ARG A 401 19.525 -1.790 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 401 20.318 -4.390 0.048 1.00 0.00 H new ATOM 0 HH12 ARG A 401 21.972 -3.821 -0.203 1.00 0.00 H new ATOM 0 HH21 ARG A 401 21.649 -1.073 1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 401 22.721 -1.953 0.885 1.00 0.00 H new ATOM 320 N PRO A 402 13.779 -4.615 -1.373 1.00 0.00 N ATOM 321 CA PRO A 402 12.385 -5.067 -1.316 1.00 0.00 C ATOM 322 C PRO A 402 11.867 -5.173 0.115 1.00 0.00 C ATOM 323 O PRO A 402 12.549 -5.692 0.998 1.00 0.00 O ATOM 324 CB PRO A 402 12.419 -6.458 -1.971 1.00 0.00 C ATOM 325 CG PRO A 402 13.736 -6.539 -2.667 1.00 0.00 C ATOM 326 CD PRO A 402 14.672 -5.662 -1.889 1.00 0.00 C ATOM 0 HA PRO A 402 11.717 -4.365 -1.815 1.00 0.00 H new ATOM 0 HB2 PRO A 402 12.321 -7.246 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.595 -6.581 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 402 14.099 -7.566 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.653 -6.201 -3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.164 -6.208 -1.084 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.459 -5.249 -2.520 1.00 0.00 H new ATOM 334 N PHE A 403 10.652 -4.680 0.331 1.00 0.00 N ATOM 335 CA PHE A 403 10.029 -4.715 1.650 1.00 0.00 C ATOM 336 C PHE A 403 8.515 -4.835 1.525 1.00 0.00 C ATOM 337 O PHE A 403 7.964 -4.738 0.429 1.00 0.00 O ATOM 338 CB PHE A 403 10.384 -3.456 2.442 1.00 0.00 C ATOM 339 CG PHE A 403 11.683 -3.561 3.188 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.890 -3.470 2.516 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.697 -3.749 4.561 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.088 -3.566 3.197 1.00 0.00 C ATOM 343 CE2 PHE A 403 12.892 -3.845 5.249 1.00 0.00 C ATOM 344 CZ PHE A 403 14.089 -3.753 4.567 1.00 0.00 C ATOM 0 H PHE A 403 10.077 -4.250 -0.393 1.00 0.00 H new ATOM 0 HA PHE A 403 10.409 -5.588 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.435 -2.609 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.583 -3.245 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.895 -3.322 1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.764 -3.821 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.022 -3.495 2.660 1.00 0.00 H new ATOM 0 HE2 PHE A 403 12.889 -3.992 6.319 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.024 -3.827 5.102 1.00 0.00 H new ATOM 354 N SER A 404 7.845 -5.042 2.653 1.00 0.00 N ATOM 355 CA SER A 404 6.394 -5.166 2.663 1.00 0.00 C ATOM 356 C SER A 404 5.748 -3.858 3.105 1.00 0.00 C ATOM 357 O SER A 404 6.182 -3.237 4.075 1.00 0.00 O ATOM 358 CB SER A 404 5.962 -6.304 3.590 1.00 0.00 C ATOM 359 OG SER A 404 6.098 -5.934 4.951 1.00 0.00 O ATOM 0 H SER A 404 8.283 -5.127 3.570 1.00 0.00 H new ATOM 0 HA SER A 404 6.063 -5.393 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.925 -6.571 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.565 -7.190 3.389 1.00 0.00 H new ATOM 0 HG SER A 404 5.358 -6.314 5.469 1.00 0.00 H new ATOM 365 N TYR A 405 4.712 -3.443 2.386 1.00 0.00 N ATOM 366 CA TYR A 405 4.009 -2.203 2.700 1.00 0.00 C ATOM 367 C TYR A 405 3.507 -2.209 4.141 1.00 0.00 C ATOM 368 O TYR A 405 3.523 -1.180 4.818 1.00 0.00 O ATOM 369 CB TYR A 405 2.837 -2.001 1.739 1.00 0.00 C ATOM 370 CG TYR A 405 2.204 -0.631 1.834 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.960 0.517 1.637 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.852 -0.487 2.120 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.387 1.771 1.723 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.272 0.764 2.207 1.00 0.00 C ATOM 375 CZ TYR A 405 1.043 1.889 2.008 1.00 0.00 C ATOM 376 OH TYR A 405 0.468 3.137 2.094 1.00 0.00 O ATOM 0 H TYR A 405 4.339 -3.946 1.581 1.00 0.00 H new ATOM 0 HA TYR A 405 4.711 -1.378 2.585 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.184 -2.162 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.078 -2.757 1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 405 4.013 0.428 1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.245 -1.366 2.277 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.989 2.654 1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.780 0.860 2.430 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.486 3.044 2.300 1.00 0.00 H new ATOM 386 N SER A 406 3.061 -3.371 4.603 1.00 0.00 N ATOM 387 CA SER A 406 2.554 -3.510 5.963 1.00 0.00 C ATOM 388 C SER A 406 3.667 -3.306 6.988 1.00 0.00 C ATOM 389 O SER A 406 3.465 -2.659 8.016 1.00 0.00 O ATOM 390 CB SER A 406 1.916 -4.886 6.154 1.00 0.00 C ATOM 391 OG SER A 406 0.915 -5.125 5.180 1.00 0.00 O ATOM 0 H SER A 406 3.040 -4.231 4.055 1.00 0.00 H new ATOM 0 HA SER A 406 1.798 -2.740 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.683 -5.658 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.481 -4.953 7.151 1.00 0.00 H new ATOM 0 HG SER A 406 0.524 -6.012 5.323 1.00 0.00 H new ATOM 397 N GLU A 407 4.839 -3.865 6.705 1.00 0.00 N ATOM 398 CA GLU A 407 5.980 -3.746 7.606 1.00 0.00 C ATOM 399 C GLU A 407 6.465 -2.306 7.695 1.00 0.00 C ATOM 400 O GLU A 407 6.998 -1.880 8.720 1.00 0.00 O ATOM 401 CB GLU A 407 7.122 -4.654 7.144 1.00 0.00 C ATOM 402 CG GLU A 407 8.320 -4.647 8.079 1.00 0.00 C ATOM 403 CD GLU A 407 9.479 -5.473 7.552 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.365 -6.010 6.430 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.501 -5.583 8.262 1.00 0.00 O ATOM 0 H GLU A 407 5.024 -4.405 5.859 1.00 0.00 H new ATOM 0 HA GLU A 407 5.654 -4.058 8.598 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.749 -5.674 7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.445 -4.341 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.651 -3.620 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.018 -5.032 9.053 1.00 0.00 H new ATOM 412 N VAL A 408 6.278 -1.561 6.616 1.00 0.00 N ATOM 413 CA VAL A 408 6.696 -0.165 6.569 1.00 0.00 C ATOM 414 C VAL A 408 5.892 0.682 7.549 1.00 0.00 C ATOM 415 O VAL A 408 6.454 1.451 8.327 1.00 0.00 O ATOM 416 CB VAL A 408 6.541 0.422 5.152 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.072 1.848 5.100 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.246 -0.454 4.126 1.00 0.00 C ATOM 0 H VAL A 408 5.839 -1.899 5.759 1.00 0.00 H new ATOM 0 HA VAL A 408 7.749 -0.141 6.850 1.00 0.00 H new ATOM 0 HB VAL A 408 5.479 0.445 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 408 6.953 2.244 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.515 2.469 5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.128 1.853 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.124 -0.021 3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.307 -0.515 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.812 -1.454 4.142 1.00 0.00 H new ATOM 428 N SER A 409 4.572 0.532 7.507 1.00 0.00 N ATOM 429 CA SER A 409 3.689 1.284 8.393 1.00 0.00 C ATOM 430 C SER A 409 3.924 0.903 9.849 1.00 0.00 C ATOM 431 O SER A 409 3.729 1.712 10.755 1.00 0.00 O ATOM 432 CB SER A 409 2.226 1.042 8.018 1.00 0.00 C ATOM 433 OG SER A 409 1.842 -0.294 8.295 1.00 0.00 O ATOM 0 H SER A 409 4.090 -0.102 6.870 1.00 0.00 H new ATOM 0 HA SER A 409 3.915 2.344 8.274 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.587 1.730 8.572 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.079 1.254 6.959 1.00 0.00 H new ATOM 0 HG SER A 409 2.588 -0.897 8.094 1.00 0.00 H new ATOM 439 N GLN A 410 4.347 -0.335 10.064 1.00 0.00 N ATOM 440 CA GLN A 410 4.614 -0.831 11.409 1.00 0.00 C ATOM 441 C GLN A 410 5.954 -0.320 11.924 1.00 0.00 C ATOM 442 O GLN A 410 6.167 -0.206 13.131 1.00 0.00 O ATOM 443 CB GLN A 410 4.596 -2.361 11.426 1.00 0.00 C ATOM 444 CG GLN A 410 3.220 -2.956 11.173 1.00 0.00 C ATOM 445 CD GLN A 410 3.211 -4.468 11.275 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.234 -5.028 12.372 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.180 -5.139 10.130 1.00 0.00 N ATOM 0 H GLN A 410 4.513 -1.016 9.323 1.00 0.00 H new ATOM 0 HA GLN A 410 3.829 -0.459 12.067 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.288 -2.733 10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 410 4.962 -2.710 12.392 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.512 -2.543 11.891 1.00 0.00 H new ATOM 0 HG3 GLN A 410 2.877 -2.660 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.162 -4.635 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.174 -6.159 10.137 1.00 0.00 H new ATOM 456 N ARG A 411 6.855 -0.014 10.998 1.00 0.00 N ATOM 457 CA ARG A 411 8.178 0.487 11.349 1.00 0.00 C ATOM 458 C ARG A 411 8.449 1.828 10.670 1.00 0.00 C ATOM 459 O ARG A 411 9.042 1.878 9.593 1.00 0.00 O ATOM 460 CB ARG A 411 9.250 -0.527 10.949 1.00 0.00 C ATOM 461 CG ARG A 411 9.303 -1.747 11.855 1.00 0.00 C ATOM 462 CD ARG A 411 10.441 -1.648 12.858 1.00 0.00 C ATOM 463 NE ARG A 411 9.984 -1.169 14.160 1.00 0.00 N ATOM 464 CZ ARG A 411 10.782 -1.013 15.215 1.00 0.00 C ATOM 465 NH1 ARG A 411 12.075 -1.296 15.124 1.00 0.00 N ATOM 466 NH2 ARG A 411 10.285 -0.572 16.362 1.00 0.00 N ATOM 0 H ARG A 411 6.692 -0.105 9.995 1.00 0.00 H new ATOM 0 HA ARG A 411 8.211 0.634 12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.066 -0.853 9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.223 -0.036 10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 411 8.357 -1.848 12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 411 9.427 -2.645 11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.907 -2.626 12.975 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.206 -0.974 12.472 1.00 0.00 H new ATOM 0 HE ARG A 411 8.996 -0.941 14.268 1.00 0.00 H new ATOM 0 HH11 ARG A 411 12.462 -1.635 14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 411 12.682 -1.175 15.935 1.00 0.00 H new ATOM 0 HH21 ARG A 411 9.292 -0.352 16.437 1.00 0.00 H new ATOM 0 HH22 ARG A 411 10.896 -0.452 17.170 1.00 0.00 H new ATOM 480 N PRO A 412 8.015 2.936 11.295 1.00 0.00 N ATOM 481 CA PRO A 412 8.212 4.281 10.745 1.00 0.00 C ATOM 482 C PRO A 412 9.662 4.541 10.351 1.00 0.00 C ATOM 483 O PRO A 412 9.940 5.352 9.467 1.00 0.00 O ATOM 484 CB PRO A 412 7.797 5.199 11.896 1.00 0.00 C ATOM 485 CG PRO A 412 6.834 4.392 12.695 1.00 0.00 C ATOM 486 CD PRO A 412 7.297 2.965 12.584 1.00 0.00 C ATOM 0 HA PRO A 412 7.639 4.435 9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.658 5.496 12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.335 6.114 11.526 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.820 4.718 13.735 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.819 4.504 12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.949 2.689 13.413 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.458 2.269 12.592 1.00 0.00 H new ATOM 494 N GLU A 413 10.584 3.848 11.011 1.00 0.00 N ATOM 495 CA GLU A 413 12.006 4.006 10.728 1.00 0.00 C ATOM 496 C GLU A 413 12.327 3.599 9.295 1.00 0.00 C ATOM 497 O GLU A 413 13.273 4.102 8.692 1.00 0.00 O ATOM 498 CB GLU A 413 12.840 3.178 11.708 1.00 0.00 C ATOM 499 CG GLU A 413 14.338 3.391 11.562 1.00 0.00 C ATOM 500 CD GLU A 413 15.149 2.489 12.473 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.541 1.667 13.191 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.393 2.604 12.468 1.00 0.00 O ATOM 0 H GLU A 413 10.372 3.172 11.745 1.00 0.00 H new ATOM 0 HA GLU A 413 12.258 5.059 10.850 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.543 3.428 12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.615 2.122 11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.627 3.210 10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.576 4.432 11.782 1.00 0.00 H new ATOM 509 N LEU A 414 11.530 2.685 8.760 1.00 0.00 N ATOM 510 CA LEU A 414 11.723 2.205 7.396 1.00 0.00 C ATOM 511 C LEU A 414 11.457 3.317 6.387 1.00 0.00 C ATOM 512 O LEU A 414 12.161 3.442 5.386 1.00 0.00 O ATOM 513 CB LEU A 414 10.805 1.015 7.115 1.00 0.00 C ATOM 514 CG LEU A 414 11.005 -0.189 8.037 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.105 -1.340 7.614 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.463 -0.623 8.037 1.00 0.00 C ATOM 0 H LEU A 414 10.742 2.260 9.249 1.00 0.00 H new ATOM 0 HA LEU A 414 12.760 1.885 7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.770 1.347 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 414 10.957 0.694 6.085 1.00 0.00 H new ATOM 0 HG LEU A 414 10.733 0.104 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.261 -2.188 8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.063 -1.025 7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.346 -1.633 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.587 -1.481 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 414 12.761 -0.899 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.087 0.199 8.388 1.00 0.00 H new ATOM 528 N VAL A 415 10.436 4.124 6.659 1.00 0.00 N ATOM 529 CA VAL A 415 10.079 5.226 5.776 1.00 0.00 C ATOM 530 C VAL A 415 11.201 6.256 5.709 1.00 0.00 C ATOM 531 O VAL A 415 11.478 6.821 4.651 1.00 0.00 O ATOM 532 CB VAL A 415 8.782 5.918 6.236 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.353 6.978 5.232 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.678 4.894 6.447 1.00 0.00 C ATOM 0 H VAL A 415 9.842 4.035 7.484 1.00 0.00 H new ATOM 0 HA VAL A 415 9.919 4.802 4.785 1.00 0.00 H new ATOM 0 HB VAL A 415 8.975 6.413 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.435 7.455 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.138 7.728 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.178 6.511 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.769 5.401 6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.486 4.368 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 415 7.986 4.178 7.209 1.00 0.00 H new ATOM 544 N ALA A 416 11.846 6.495 6.847 1.00 0.00 N ATOM 545 CA ALA A 416 12.940 7.455 6.916 1.00 0.00 C ATOM 546 C ALA A 416 14.151 6.964 6.133 1.00 0.00 C ATOM 547 O ALA A 416 14.936 7.758 5.616 1.00 0.00 O ATOM 548 CB ALA A 416 13.318 7.724 8.365 1.00 0.00 C ATOM 0 H ALA A 416 11.629 6.037 7.732 1.00 0.00 H new ATOM 0 HA ALA A 416 12.601 8.387 6.463 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.137 8.443 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.457 8.129 8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.632 6.793 8.838 1.00 0.00 H new ATOM 554 N GLN A 417 14.290 5.648 6.048 1.00 0.00 N ATOM 555 CA GLN A 417 15.401 5.040 5.325 1.00 0.00 C ATOM 556 C GLN A 417 15.182 5.118 3.818 1.00 0.00 C ATOM 557 O GLN A 417 16.133 5.060 3.038 1.00 0.00 O ATOM 558 CB GLN A 417 15.577 3.581 5.752 1.00 0.00 C ATOM 559 CG GLN A 417 16.039 3.420 7.191 1.00 0.00 C ATOM 560 CD GLN A 417 16.131 1.967 7.613 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.573 1.082 6.963 1.00 0.00 O ATOM 562 NE2 GLN A 417 16.840 1.712 8.708 1.00 0.00 N ATOM 0 H GLN A 417 13.647 4.979 6.471 1.00 0.00 H new ATOM 0 HA GLN A 417 16.306 5.596 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.630 3.056 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.300 3.102 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.014 3.892 7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.348 3.944 7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.286 2.476 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 417 16.938 0.753 9.040 1.00 0.00 H new ATOM 571 N MET A 418 13.923 5.251 3.415 1.00 0.00 N ATOM 572 CA MET A 418 13.576 5.337 2.002 1.00 0.00 C ATOM 573 C MET A 418 13.949 6.702 1.432 1.00 0.00 C ATOM 574 O MET A 418 13.658 7.736 2.033 1.00 0.00 O ATOM 575 CB MET A 418 12.080 5.090 1.807 1.00 0.00 C ATOM 576 CG MET A 418 11.607 3.750 2.343 1.00 0.00 C ATOM 577 SD MET A 418 10.330 3.004 1.311 1.00 0.00 S ATOM 578 CE MET A 418 9.147 2.496 2.555 1.00 0.00 C ATOM 0 H MET A 418 13.125 5.302 4.048 1.00 0.00 H new ATOM 0 HA MET A 418 14.140 4.571 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.522 5.886 2.300 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.847 5.149 0.744 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.456 3.070 2.413 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.221 3.883 3.354 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.625 1.601 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.669 2.281 3.487 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.425 3.296 2.719 1.00 0.00 H new ATOM 588 N THR A 419 14.586 6.700 0.266 1.00 0.00 N ATOM 589 CA THR A 419 14.989 7.943 -0.384 1.00 0.00 C ATOM 590 C THR A 419 13.755 8.732 -0.820 1.00 0.00 C ATOM 591 O THR A 419 12.635 8.229 -0.749 1.00 0.00 O ATOM 592 CB THR A 419 15.886 7.653 -1.590 1.00 0.00 C ATOM 593 OG1 THR A 419 15.110 7.315 -2.725 1.00 0.00 O ATOM 594 CG2 THR A 419 16.868 6.523 -1.354 1.00 0.00 C ATOM 0 H THR A 419 14.834 5.854 -0.248 1.00 0.00 H new ATOM 0 HA THR A 419 15.555 8.540 0.330 1.00 0.00 H new ATOM 0 HB THR A 419 16.448 8.572 -1.754 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.702 7.135 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.471 6.372 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.519 6.775 -0.517 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.322 5.608 -1.126 1.00 0.00 H new ATOM 602 N PRO A 420 13.939 9.985 -1.274 1.00 0.00 N ATOM 603 CA PRO A 420 12.823 10.831 -1.711 1.00 0.00 C ATOM 604 C PRO A 420 11.952 10.147 -2.757 1.00 0.00 C ATOM 605 O PRO A 420 10.744 10.001 -2.569 1.00 0.00 O ATOM 606 CB PRO A 420 13.516 12.060 -2.302 1.00 0.00 C ATOM 607 CG PRO A 420 14.843 12.107 -1.628 1.00 0.00 C ATOM 608 CD PRO A 420 15.237 10.676 -1.391 1.00 0.00 C ATOM 0 HA PRO A 420 12.144 11.066 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.624 11.972 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 420 12.943 12.967 -2.112 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.579 12.617 -2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.784 12.657 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.831 10.280 -2.215 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.834 10.567 -0.486 1.00 0.00 H new ATOM 616 N GLU A 421 12.567 9.719 -3.855 1.00 0.00 N ATOM 617 CA GLU A 421 11.831 9.043 -4.917 1.00 0.00 C ATOM 618 C GLU A 421 11.157 7.792 -4.371 1.00 0.00 C ATOM 619 O GLU A 421 10.004 7.503 -4.692 1.00 0.00 O ATOM 620 CB GLU A 421 12.769 8.675 -6.068 1.00 0.00 C ATOM 621 CG GLU A 421 13.371 9.883 -6.771 1.00 0.00 C ATOM 622 CD GLU A 421 14.242 9.498 -7.952 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.569 8.299 -8.084 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.598 10.396 -8.743 1.00 0.00 O ATOM 0 H GLU A 421 13.566 9.827 -4.032 1.00 0.00 H new ATOM 0 HA GLU A 421 11.066 9.721 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.575 8.050 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.221 8.077 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.569 10.536 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 421 13.965 10.455 -6.058 1.00 0.00 H new ATOM 631 N GLU A 422 11.879 7.061 -3.528 1.00 0.00 N ATOM 632 CA GLU A 422 11.344 5.852 -2.922 1.00 0.00 C ATOM 633 C GLU A 422 10.191 6.200 -1.990 1.00 0.00 C ATOM 634 O GLU A 422 9.234 5.437 -1.857 1.00 0.00 O ATOM 635 CB GLU A 422 12.437 5.107 -2.153 1.00 0.00 C ATOM 636 CG GLU A 422 13.458 4.429 -3.051 1.00 0.00 C ATOM 637 CD GLU A 422 12.833 3.406 -3.979 1.00 0.00 C ATOM 638 OE1 GLU A 422 11.640 3.084 -3.791 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.535 2.926 -4.893 1.00 0.00 O ATOM 0 H GLU A 422 12.834 7.286 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 422 10.975 5.201 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 422 12.952 5.810 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 422 11.972 4.356 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.973 5.185 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.212 3.941 -2.433 1.00 0.00 H new ATOM 646 N LYS A 423 10.281 7.367 -1.357 1.00 0.00 N ATOM 647 CA LYS A 423 9.237 7.821 -0.450 1.00 0.00 C ATOM 648 C LYS A 423 7.940 8.047 -1.216 1.00 0.00 C ATOM 649 O LYS A 423 6.852 7.759 -0.718 1.00 0.00 O ATOM 650 CB LYS A 423 9.665 9.110 0.254 1.00 0.00 C ATOM 651 CG LYS A 423 8.710 9.548 1.354 1.00 0.00 C ATOM 652 CD LYS A 423 9.170 10.841 2.008 1.00 0.00 C ATOM 653 CE LYS A 423 8.335 11.172 3.234 1.00 0.00 C ATOM 654 NZ LYS A 423 8.942 12.266 4.040 1.00 0.00 N ATOM 0 H LYS A 423 11.065 8.012 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 423 9.072 7.052 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.658 8.969 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.746 9.908 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.712 9.684 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.637 8.764 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.218 10.753 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.103 11.658 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.332 11.464 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.229 10.281 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.342 12.462 4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.889 11.978 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 9.019 13.124 3.458 1.00 0.00 H new ATOM 668 N GLU A 424 8.068 8.555 -2.438 1.00 0.00 N ATOM 669 CA GLU A 424 6.911 8.812 -3.283 1.00 0.00 C ATOM 670 C GLU A 424 6.219 7.506 -3.653 1.00 0.00 C ATOM 671 O GLU A 424 4.996 7.399 -3.580 1.00 0.00 O ATOM 672 CB GLU A 424 7.334 9.562 -4.549 1.00 0.00 C ATOM 673 CG GLU A 424 7.426 11.068 -4.361 1.00 0.00 C ATOM 674 CD GLU A 424 7.785 11.793 -5.642 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.957 11.707 -6.066 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.895 12.451 -6.222 1.00 0.00 O ATOM 0 H GLU A 424 8.963 8.796 -2.864 1.00 0.00 H new ATOM 0 HA GLU A 424 6.208 9.431 -2.726 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.302 9.185 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.621 9.346 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.472 11.443 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.174 11.291 -3.600 1.00 0.00 H new ATOM 683 N ALA A 425 7.010 6.507 -4.038 1.00 0.00 N ATOM 684 CA ALA A 425 6.467 5.204 -4.405 1.00 0.00 C ATOM 685 C ALA A 425 5.647 4.626 -3.261 1.00 0.00 C ATOM 686 O ALA A 425 4.680 3.896 -3.475 1.00 0.00 O ATOM 687 CB ALA A 425 7.587 4.251 -4.796 1.00 0.00 C ATOM 0 H ALA A 425 8.026 6.576 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 425 5.811 5.334 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.164 3.284 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.132 4.660 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.269 4.126 -3.955 1.00 0.00 H new ATOM 693 N TYR A 426 6.039 4.976 -2.044 1.00 0.00 N ATOM 694 CA TYR A 426 5.345 4.519 -0.848 1.00 0.00 C ATOM 695 C TYR A 426 3.968 5.154 -0.768 1.00 0.00 C ATOM 696 O TYR A 426 2.963 4.480 -0.542 1.00 0.00 O ATOM 697 CB TYR A 426 6.143 4.900 0.397 1.00 0.00 C ATOM 698 CG TYR A 426 5.541 4.392 1.687 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.475 3.032 1.961 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.038 5.278 2.631 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.924 2.570 3.141 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.487 4.824 3.812 1.00 0.00 C ATOM 703 CZ TYR A 426 4.431 3.470 4.063 1.00 0.00 C ATOM 704 OH TYR A 426 3.882 3.013 5.240 1.00 0.00 O ATOM 0 H TYR A 426 6.840 5.580 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 426 5.243 3.435 -0.900 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.156 4.509 0.301 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.223 5.986 0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.860 2.325 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.079 6.340 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.880 1.510 3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.101 5.526 4.536 1.00 0.00 H new ATOM 0 HH TYR A 426 3.583 3.775 5.779 1.00 0.00 H new ATOM 714 N ILE A 427 3.945 6.466 -0.949 1.00 0.00 N ATOM 715 CA ILE A 427 2.714 7.233 -0.896 1.00 0.00 C ATOM 716 C ILE A 427 1.857 6.993 -2.137 1.00 0.00 C ATOM 717 O ILE A 427 0.629 6.977 -2.059 1.00 0.00 O ATOM 718 CB ILE A 427 3.024 8.736 -0.759 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.775 9.000 0.551 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.746 9.552 -0.813 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.066 9.765 0.365 1.00 0.00 C ATOM 0 H ILE A 427 4.777 7.025 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 427 2.153 6.900 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 427 3.657 9.039 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.126 9.558 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 427 3.993 8.047 1.033 1.00 0.00 H new ATOM 0 HG21 ILE A 427 1.986 10.611 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.245 9.381 -1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.088 9.252 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.543 9.915 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.734 9.199 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.853 10.733 -0.089 1.00 0.00 H new ATOM 733 N ALA A 428 2.510 6.811 -3.278 1.00 0.00 N ATOM 734 CA ALA A 428 1.803 6.574 -4.529 1.00 0.00 C ATOM 735 C ALA A 428 1.179 5.182 -4.551 1.00 0.00 C ATOM 736 O ALA A 428 0.155 4.959 -5.195 1.00 0.00 O ATOM 737 CB ALA A 428 2.744 6.754 -5.710 1.00 0.00 C ATOM 0 H ALA A 428 3.526 6.823 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 428 0.998 7.305 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.202 6.574 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.137 7.771 -5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.569 6.047 -5.629 1.00 0.00 H new ATOM 743 N MET A 429 1.804 4.247 -3.842 1.00 0.00 N ATOM 744 CA MET A 429 1.307 2.878 -3.780 1.00 0.00 C ATOM 745 C MET A 429 0.018 2.804 -2.968 1.00 0.00 C ATOM 746 O MET A 429 -0.842 1.961 -3.223 1.00 0.00 O ATOM 747 CB MET A 429 2.363 1.957 -3.166 1.00 0.00 C ATOM 748 CG MET A 429 3.443 1.531 -4.147 1.00 0.00 C ATOM 749 SD MET A 429 4.943 0.960 -3.325 1.00 0.00 S ATOM 750 CE MET A 429 4.337 -0.504 -2.491 1.00 0.00 C ATOM 0 H MET A 429 2.654 4.413 -3.303 1.00 0.00 H new ATOM 0 HA MET A 429 1.095 2.549 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.830 2.465 -2.322 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.872 1.068 -2.770 1.00 0.00 H new ATOM 0 HG2 MET A 429 3.057 0.735 -4.783 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.687 2.370 -4.799 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.180 -1.120 -2.179 1.00 0.00 H new ATOM 0 HE2 MET A 429 3.758 -0.211 -1.615 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.703 -1.074 -3.170 1.00 0.00 H new