USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 406 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 410 GLN : amide:sc= 0.00234 X(o=0.0023,f=0) USER MOD Single : A 397 MET CE :methyl -159:sc= -3.39! (180deg=-3.7) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -38:sc= 0.722 USER MOD Single : A 417 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.0027) USER MOD Single : A 418 MET CE :methyl -152:sc= -3.49! (180deg=-5.42!) USER MOD Single : A 419 THR OG1 : rot 180:sc= 0.00665 USER MOD Single : A 423 LYS NZ :NH3+ 147:sc= -3.56! (180deg=-4.61!) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl 158:sc= -3.81! (180deg=-4.88!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.796 -5.109 -2.677 1.00 0.00 N ATOM 212 CA ILE A 395 6.159 -4.947 -2.189 1.00 0.00 C ATOM 213 C ILE A 395 6.626 -3.503 -2.339 1.00 0.00 C ATOM 214 O ILE A 395 6.413 -2.874 -3.375 1.00 0.00 O ATOM 215 CB ILE A 395 7.139 -5.874 -2.938 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.678 -7.330 -2.831 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.554 -5.718 -2.391 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.742 -7.882 -1.423 1.00 0.00 C ATOM 0 HA ILE A 395 6.152 -5.217 -1.133 1.00 0.00 H new ATOM 0 HB ILE A 395 7.149 -5.589 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.654 -7.406 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.296 -7.947 -3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.229 -6.381 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.881 -4.686 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.565 -5.976 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.401 -8.917 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.769 -7.838 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 395 6.102 -7.289 -0.770 1.00 0.00 H new ATOM 230 N VAL A 396 7.269 -2.988 -1.298 1.00 0.00 N ATOM 231 CA VAL A 396 7.775 -1.623 -1.306 1.00 0.00 C ATOM 232 C VAL A 396 9.297 -1.610 -1.214 1.00 0.00 C ATOM 233 O VAL A 396 9.892 -2.422 -0.505 1.00 0.00 O ATOM 234 CB VAL A 396 7.189 -0.801 -0.139 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.608 -1.394 1.198 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.613 0.656 -0.244 1.00 0.00 C ATOM 0 H VAL A 396 7.452 -3.499 -0.434 1.00 0.00 H new ATOM 0 HA VAL A 396 7.465 -1.169 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 396 6.102 -0.842 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.185 -0.800 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.245 -2.419 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.695 -1.388 1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.190 1.219 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.701 0.722 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.253 1.073 -1.185 1.00 0.00 H new ATOM 246 N MET A 397 9.923 -0.686 -1.932 1.00 0.00 N ATOM 247 CA MET A 397 11.375 -0.576 -1.924 1.00 0.00 C ATOM 248 C MET A 397 11.842 0.372 -0.824 1.00 0.00 C ATOM 249 O MET A 397 11.577 1.574 -0.872 1.00 0.00 O ATOM 250 CB MET A 397 11.877 -0.085 -3.285 1.00 0.00 C ATOM 251 CG MET A 397 11.436 -0.960 -4.447 1.00 0.00 C ATOM 252 SD MET A 397 12.756 -2.027 -5.056 1.00 0.00 S ATOM 253 CE MET A 397 12.643 -3.396 -3.908 1.00 0.00 C ATOM 0 H MET A 397 9.449 -0.004 -2.525 1.00 0.00 H new ATOM 0 HA MET A 397 11.789 -1.565 -1.727 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.519 0.931 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.966 -0.041 -3.267 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.593 -1.575 -4.133 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.083 -0.326 -5.260 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.586 -3.942 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 397 12.435 -3.016 -2.908 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.839 -4.064 -4.217 1.00 0.00 H new ATOM 263 N VAL A 398 12.540 -0.176 0.166 1.00 0.00 N ATOM 264 CA VAL A 398 13.046 0.621 1.277 1.00 0.00 C ATOM 265 C VAL A 398 14.567 0.730 1.224 1.00 0.00 C ATOM 266 O VAL A 398 15.273 -0.275 1.289 1.00 0.00 O ATOM 267 CB VAL A 398 12.636 0.017 2.636 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.062 0.928 3.778 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.137 -0.236 2.678 1.00 0.00 C ATOM 0 H VAL A 398 12.768 -1.169 0.221 1.00 0.00 H new ATOM 0 HA VAL A 398 12.606 1.614 1.181 1.00 0.00 H new ATOM 0 HB VAL A 398 13.146 -0.939 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.764 0.484 4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.145 1.052 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.583 1.901 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.867 -0.662 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.605 0.705 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.863 -0.932 1.885 1.00 0.00 H new ATOM 279 N ALA A 399 15.064 1.957 1.104 1.00 0.00 N ATOM 280 CA ALA A 399 16.501 2.198 1.044 1.00 0.00 C ATOM 281 C ALA A 399 17.151 1.406 -0.088 1.00 0.00 C ATOM 282 O ALA A 399 18.330 1.061 -0.019 1.00 0.00 O ATOM 283 CB ALA A 399 17.150 1.847 2.374 1.00 0.00 C ATOM 0 H ALA A 399 14.492 2.800 1.046 1.00 0.00 H new ATOM 0 HA ALA A 399 16.655 3.258 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.223 2.032 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.718 2.463 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.975 0.795 2.598 1.00 0.00 H new ATOM 289 N GLY A 400 16.375 1.123 -1.130 1.00 0.00 N ATOM 290 CA GLY A 400 16.895 0.375 -2.261 1.00 0.00 C ATOM 291 C GLY A 400 16.809 -1.126 -2.062 1.00 0.00 C ATOM 292 O GLY A 400 17.557 -1.884 -2.681 1.00 0.00 O ATOM 0 H GLY A 400 15.396 1.398 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.341 0.650 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.935 0.656 -2.429 1.00 0.00 H new ATOM 296 N ARG A 401 15.894 -1.558 -1.200 1.00 0.00 N ATOM 297 CA ARG A 401 15.714 -2.979 -0.926 1.00 0.00 C ATOM 298 C ARG A 401 14.230 -3.334 -0.871 1.00 0.00 C ATOM 299 O ARG A 401 13.398 -2.495 -0.532 1.00 0.00 O ATOM 300 CB ARG A 401 16.390 -3.357 0.394 1.00 0.00 C ATOM 301 CG ARG A 401 17.899 -3.507 0.283 1.00 0.00 C ATOM 302 CD ARG A 401 18.454 -4.384 1.393 1.00 0.00 C ATOM 303 NE ARG A 401 18.379 -3.730 2.697 1.00 0.00 N ATOM 304 CZ ARG A 401 19.169 -2.724 3.069 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.093 -2.256 2.239 1.00 0.00 N ATOM 306 NH2 ARG A 401 19.034 -2.186 4.273 1.00 0.00 N ATOM 0 H ARG A 401 15.266 -0.945 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 401 16.177 -3.543 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.163 -2.596 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.966 -4.294 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.153 -3.939 -0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.368 -2.524 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.899 -5.322 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 401 19.492 -4.635 1.172 1.00 0.00 H new ATOM 0 HE ARG A 401 17.681 -4.063 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 401 20.201 -2.667 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 401 20.695 -1.486 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.325 -2.542 4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.639 -1.416 4.558 1.00 0.00 H new ATOM 320 N PRO A 402 13.878 -4.586 -1.207 1.00 0.00 N ATOM 321 CA PRO A 402 12.484 -5.041 -1.193 1.00 0.00 C ATOM 322 C PRO A 402 11.936 -5.191 0.221 1.00 0.00 C ATOM 323 O PRO A 402 12.602 -5.734 1.103 1.00 0.00 O ATOM 324 CB PRO A 402 12.548 -6.401 -1.890 1.00 0.00 C ATOM 325 CG PRO A 402 13.937 -6.882 -1.649 1.00 0.00 C ATOM 326 CD PRO A 402 14.806 -5.654 -1.627 1.00 0.00 C ATOM 0 HA PRO A 402 11.818 -4.328 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.812 -7.092 -1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 402 12.339 -6.310 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 402 14.004 -7.424 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 402 14.253 -7.569 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.637 -5.762 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.237 -5.449 -2.607 1.00 0.00 H new ATOM 334 N PHE A 403 10.716 -4.709 0.429 1.00 0.00 N ATOM 335 CA PHE A 403 10.069 -4.787 1.734 1.00 0.00 C ATOM 336 C PHE A 403 8.555 -4.862 1.580 1.00 0.00 C ATOM 337 O PHE A 403 8.024 -4.704 0.482 1.00 0.00 O ATOM 338 CB PHE A 403 10.446 -3.576 2.588 1.00 0.00 C ATOM 339 CG PHE A 403 11.782 -3.708 3.261 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.951 -3.447 2.565 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.869 -4.094 4.589 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.182 -3.568 3.181 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.097 -4.217 5.211 1.00 0.00 C ATOM 344 CZ PHE A 403 14.255 -3.953 4.505 1.00 0.00 C ATOM 0 H PHE A 403 10.153 -4.258 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 403 10.414 -5.693 2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.452 -2.686 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.679 -3.425 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.900 -3.146 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.966 -4.301 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 403 15.086 -3.362 2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.151 -4.519 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.216 -4.048 4.988 1.00 0.00 H new ATOM 354 N SER A 404 7.862 -5.100 2.688 1.00 0.00 N ATOM 355 CA SER A 404 6.407 -5.188 2.672 1.00 0.00 C ATOM 356 C SER A 404 5.786 -3.865 3.102 1.00 0.00 C ATOM 357 O SER A 404 6.241 -3.235 4.056 1.00 0.00 O ATOM 358 CB SER A 404 5.932 -6.313 3.594 1.00 0.00 C ATOM 359 OG SER A 404 6.470 -7.562 3.195 1.00 0.00 O ATOM 0 H SER A 404 8.284 -5.235 3.607 1.00 0.00 H new ATOM 0 HA SER A 404 6.088 -5.408 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.230 -6.097 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.843 -6.362 3.582 1.00 0.00 H new ATOM 0 HG SER A 404 6.153 -8.264 3.801 1.00 0.00 H new ATOM 365 N TYR A 405 4.745 -3.444 2.390 1.00 0.00 N ATOM 366 CA TYR A 405 4.066 -2.190 2.698 1.00 0.00 C ATOM 367 C TYR A 405 3.562 -2.183 4.138 1.00 0.00 C ATOM 368 O TYR A 405 3.671 -1.178 4.839 1.00 0.00 O ATOM 369 CB TYR A 405 2.900 -1.966 1.734 1.00 0.00 C ATOM 370 CG TYR A 405 2.337 -0.564 1.784 1.00 0.00 C ATOM 371 CD1 TYR A 405 3.061 0.512 1.286 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.083 -0.315 2.330 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.552 1.796 1.329 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.568 0.966 2.376 1.00 0.00 C ATOM 375 CZ TYR A 405 1.305 2.018 1.875 1.00 0.00 C ATOM 376 OH TYR A 405 0.795 3.295 1.920 1.00 0.00 O ATOM 0 H TYR A 405 4.354 -3.952 1.597 1.00 0.00 H new ATOM 0 HA TYR A 405 4.784 -1.379 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.233 -2.179 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.106 -2.676 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 405 4.038 0.342 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.502 -1.136 2.724 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.128 2.621 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.408 1.143 2.803 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.093 3.278 2.334 1.00 0.00 H new ATOM 386 N SER A 406 3.011 -3.312 4.572 1.00 0.00 N ATOM 387 CA SER A 406 2.491 -3.435 5.929 1.00 0.00 C ATOM 388 C SER A 406 3.613 -3.305 6.954 1.00 0.00 C ATOM 389 O SER A 406 3.441 -2.686 8.004 1.00 0.00 O ATOM 390 CB SER A 406 1.777 -4.777 6.104 1.00 0.00 C ATOM 391 OG SER A 406 1.112 -4.841 7.354 1.00 0.00 O ATOM 0 H SER A 406 2.913 -4.154 4.004 1.00 0.00 H new ATOM 0 HA SER A 406 1.777 -2.628 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 406 1.057 -4.917 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.500 -5.590 6.031 1.00 0.00 H new ATOM 0 HG SER A 406 0.662 -5.707 7.441 1.00 0.00 H new ATOM 397 N GLU A 407 4.764 -3.894 6.642 1.00 0.00 N ATOM 398 CA GLU A 407 5.915 -3.845 7.536 1.00 0.00 C ATOM 399 C GLU A 407 6.457 -2.425 7.656 1.00 0.00 C ATOM 400 O GLU A 407 7.020 -2.049 8.683 1.00 0.00 O ATOM 401 CB GLU A 407 7.016 -4.783 7.037 1.00 0.00 C ATOM 402 CG GLU A 407 8.199 -4.892 7.986 1.00 0.00 C ATOM 403 CD GLU A 407 9.318 -5.752 7.430 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.184 -6.239 6.288 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.331 -5.938 8.138 1.00 0.00 O ATOM 0 H GLU A 407 4.924 -4.410 5.777 1.00 0.00 H new ATOM 0 HA GLU A 407 5.587 -4.172 8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.593 -5.776 6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.370 -4.431 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.584 -3.894 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 407 7.862 -5.310 8.934 1.00 0.00 H new ATOM 412 N VAL A 408 6.280 -1.647 6.599 1.00 0.00 N ATOM 413 CA VAL A 408 6.749 -0.265 6.579 1.00 0.00 C ATOM 414 C VAL A 408 5.978 0.589 7.581 1.00 0.00 C ATOM 415 O VAL A 408 6.569 1.342 8.353 1.00 0.00 O ATOM 416 CB VAL A 408 6.611 0.352 5.173 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.156 1.774 5.152 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.316 -0.511 4.136 1.00 0.00 C ATOM 0 H VAL A 408 5.815 -1.947 5.742 1.00 0.00 H new ATOM 0 HA VAL A 408 7.803 -0.280 6.857 1.00 0.00 H new ATOM 0 HB VAL A 408 5.551 0.391 4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.049 2.190 4.150 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.600 2.387 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.210 1.764 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.207 -0.058 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.374 -0.587 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.872 -1.507 4.129 1.00 0.00 H new ATOM 428 N SER A 409 4.654 0.465 7.561 1.00 0.00 N ATOM 429 CA SER A 409 3.803 1.225 8.469 1.00 0.00 C ATOM 430 C SER A 409 4.057 0.826 9.917 1.00 0.00 C ATOM 431 O SER A 409 3.891 1.631 10.835 1.00 0.00 O ATOM 432 CB SER A 409 2.330 1.015 8.120 1.00 0.00 C ATOM 433 OG SER A 409 1.924 -0.314 8.393 1.00 0.00 O ATOM 0 H SER A 409 4.149 -0.154 6.927 1.00 0.00 H new ATOM 0 HA SER A 409 4.048 2.281 8.355 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.715 1.711 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.168 1.238 7.066 1.00 0.00 H new ATOM 0 HG SER A 409 2.649 -0.932 8.161 1.00 0.00 H new ATOM 439 N GLN A 410 4.464 -0.421 10.113 1.00 0.00 N ATOM 440 CA GLN A 410 4.747 -0.935 11.448 1.00 0.00 C ATOM 441 C GLN A 410 6.092 -0.428 11.955 1.00 0.00 C ATOM 442 O GLN A 410 6.318 -0.336 13.162 1.00 0.00 O ATOM 443 CB GLN A 410 4.731 -2.464 11.445 1.00 0.00 C ATOM 444 CG GLN A 410 3.356 -3.059 11.188 1.00 0.00 C ATOM 445 CD GLN A 410 3.351 -4.572 11.267 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.346 -5.149 12.355 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.353 -5.225 10.110 1.00 0.00 N ATOM 0 H GLN A 410 4.606 -1.097 9.363 1.00 0.00 H new ATOM 0 HA GLN A 410 3.968 -0.573 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.422 -2.824 10.683 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.100 -2.825 12.405 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.649 -2.659 11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.009 -2.749 10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.357 -4.706 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.350 -6.245 10.100 1.00 0.00 H new ATOM 456 N ARG A 411 6.980 -0.102 11.025 1.00 0.00 N ATOM 457 CA ARG A 411 8.305 0.397 11.373 1.00 0.00 C ATOM 458 C ARG A 411 8.570 1.744 10.704 1.00 0.00 C ATOM 459 O ARG A 411 9.161 1.805 9.625 1.00 0.00 O ATOM 460 CB ARG A 411 9.377 -0.613 10.956 1.00 0.00 C ATOM 461 CG ARG A 411 9.471 -1.816 11.880 1.00 0.00 C ATOM 462 CD ARG A 411 10.382 -2.888 11.308 1.00 0.00 C ATOM 463 NE ARG A 411 11.046 -3.659 12.356 1.00 0.00 N ATOM 464 CZ ARG A 411 10.428 -4.554 13.123 1.00 0.00 C ATOM 465 NH1 ARG A 411 9.132 -4.793 12.963 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.107 -5.211 14.053 1.00 0.00 N ATOM 0 H ARG A 411 6.807 -0.174 10.022 1.00 0.00 H new ATOM 0 HA ARG A 411 8.345 0.534 12.454 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.165 -0.958 9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.345 -0.112 10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.846 -1.500 12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.476 -2.231 12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 411 9.800 -3.560 10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.133 -2.423 10.669 1.00 0.00 H new ATOM 0 HE ARG A 411 12.042 -3.502 12.509 1.00 0.00 H new ATOM 0 HH11 ARG A 411 8.605 -4.290 12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 411 8.663 -5.480 13.554 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.103 -5.030 14.181 1.00 0.00 H new ATOM 0 HH22 ARG A 411 10.634 -5.897 14.641 1.00 0.00 H new ATOM 480 N PRO A 412 8.135 2.845 11.339 1.00 0.00 N ATOM 481 CA PRO A 412 8.327 4.196 10.801 1.00 0.00 C ATOM 482 C PRO A 412 9.780 4.469 10.428 1.00 0.00 C ATOM 483 O PRO A 412 10.061 5.292 9.556 1.00 0.00 O ATOM 484 CB PRO A 412 7.890 5.103 11.952 1.00 0.00 C ATOM 485 CG PRO A 412 6.935 4.278 12.743 1.00 0.00 C ATOM 486 CD PRO A 412 7.420 2.860 12.630 1.00 0.00 C ATOM 0 HA PRO A 412 7.763 4.353 9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.742 5.412 12.558 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.416 6.012 11.582 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.911 4.600 13.784 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.921 4.376 12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.078 2.593 13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.593 2.150 12.639 1.00 0.00 H new ATOM 494 N GLU A 413 10.700 3.777 11.093 1.00 0.00 N ATOM 495 CA GLU A 413 12.123 3.949 10.828 1.00 0.00 C ATOM 496 C GLU A 413 12.460 3.574 9.391 1.00 0.00 C ATOM 497 O GLU A 413 13.391 4.117 8.797 1.00 0.00 O ATOM 498 CB GLU A 413 12.952 3.106 11.799 1.00 0.00 C ATOM 499 CG GLU A 413 14.450 3.335 11.676 1.00 0.00 C ATOM 500 CD GLU A 413 15.257 2.422 12.580 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.647 1.585 13.278 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.500 2.544 12.588 1.00 0.00 O ATOM 0 H GLU A 413 10.485 3.093 11.818 1.00 0.00 H new ATOM 0 HA GLU A 413 12.368 5.001 10.974 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.641 3.331 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 413 12.738 2.051 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 413 14.754 3.177 10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 413 14.676 4.373 11.919 1.00 0.00 H new ATOM 509 N LEU A 414 11.694 2.644 8.839 1.00 0.00 N ATOM 510 CA LEU A 414 11.905 2.193 7.469 1.00 0.00 C ATOM 511 C LEU A 414 11.597 3.311 6.479 1.00 0.00 C ATOM 512 O LEU A 414 12.270 3.454 5.458 1.00 0.00 O ATOM 513 CB LEU A 414 11.029 0.975 7.168 1.00 0.00 C ATOM 514 CG LEU A 414 11.285 -0.245 8.057 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.438 -1.424 7.603 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.762 -0.611 8.045 1.00 0.00 C ATOM 0 H LEU A 414 10.919 2.186 9.319 1.00 0.00 H new ATOM 0 HA LEU A 414 12.953 1.912 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 414 9.983 1.265 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.181 0.686 6.128 1.00 0.00 H new ATOM 0 HG LEU A 414 11.001 0.007 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.634 -2.282 8.247 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.383 -1.158 7.663 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.690 -1.678 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.927 -1.480 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.071 -0.844 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.348 0.229 8.419 1.00 0.00 H new ATOM 528 N VAL A 415 10.576 4.104 6.791 1.00 0.00 N ATOM 529 CA VAL A 415 10.179 5.211 5.931 1.00 0.00 C ATOM 530 C VAL A 415 11.279 6.266 5.857 1.00 0.00 C ATOM 531 O VAL A 415 11.519 6.853 4.802 1.00 0.00 O ATOM 532 CB VAL A 415 8.878 5.869 6.431 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.419 6.957 5.469 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.791 4.821 6.621 1.00 0.00 C ATOM 0 H VAL A 415 10.010 4.000 7.633 1.00 0.00 H new ATOM 0 HA VAL A 415 10.008 4.799 4.936 1.00 0.00 H new ATOM 0 HB VAL A 415 9.077 6.335 7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.499 7.408 5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.192 7.722 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.237 6.521 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.879 5.302 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.594 4.324 5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.120 4.084 7.354 1.00 0.00 H new ATOM 544 N ALA A 416 11.944 6.500 6.983 1.00 0.00 N ATOM 545 CA ALA A 416 13.020 7.482 7.044 1.00 0.00 C ATOM 546 C ALA A 416 14.225 7.026 6.233 1.00 0.00 C ATOM 547 O ALA A 416 14.990 7.843 5.721 1.00 0.00 O ATOM 548 CB ALA A 416 13.419 7.743 8.488 1.00 0.00 C ATOM 0 H ALA A 416 11.757 6.023 7.865 1.00 0.00 H new ATOM 0 HA ALA A 416 12.653 8.412 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.223 8.478 8.516 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.560 8.124 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.761 6.814 8.945 1.00 0.00 H new ATOM 554 N GLN A 417 14.386 5.715 6.119 1.00 0.00 N ATOM 555 CA GLN A 417 15.496 5.139 5.367 1.00 0.00 C ATOM 556 C GLN A 417 15.240 5.214 3.865 1.00 0.00 C ATOM 557 O GLN A 417 16.173 5.173 3.064 1.00 0.00 O ATOM 558 CB GLN A 417 15.725 3.687 5.787 1.00 0.00 C ATOM 559 CG GLN A 417 16.198 3.535 7.223 1.00 0.00 C ATOM 560 CD GLN A 417 16.504 2.095 7.587 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.554 1.562 7.229 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.585 1.457 8.302 1.00 0.00 N ATOM 0 H GLN A 417 13.761 5.027 6.539 1.00 0.00 H new ATOM 0 HA GLN A 417 16.391 5.720 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.797 3.130 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.462 3.237 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.091 4.142 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.433 3.921 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.729 1.938 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 417 15.735 0.486 8.576 1.00 0.00 H new ATOM 571 N MET A 418 13.970 5.322 3.492 1.00 0.00 N ATOM 572 CA MET A 418 13.589 5.401 2.087 1.00 0.00 C ATOM 573 C MET A 418 13.938 6.767 1.503 1.00 0.00 C ATOM 574 O MET A 418 13.601 7.801 2.077 1.00 0.00 O ATOM 575 CB MET A 418 12.090 5.142 1.928 1.00 0.00 C ATOM 576 CG MET A 418 11.648 3.781 2.440 1.00 0.00 C ATOM 577 SD MET A 418 10.368 3.036 1.413 1.00 0.00 S ATOM 578 CE MET A 418 9.207 2.490 2.662 1.00 0.00 C ATOM 0 H MET A 418 13.186 5.357 4.144 1.00 0.00 H new ATOM 0 HA MET A 418 14.146 4.637 1.544 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.538 5.917 2.459 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.825 5.228 0.874 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.510 3.115 2.480 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.277 3.884 3.460 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.655 1.625 2.293 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.749 2.215 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.509 3.296 2.888 1.00 0.00 H new ATOM 588 N THR A 419 14.609 6.762 0.356 1.00 0.00 N ATOM 589 CA THR A 419 14.994 8.005 -0.306 1.00 0.00 C ATOM 590 C THR A 419 13.753 8.759 -0.778 1.00 0.00 C ATOM 591 O THR A 419 12.642 8.231 -0.722 1.00 0.00 O ATOM 592 CB THR A 419 15.922 7.717 -1.490 1.00 0.00 C ATOM 593 OG1 THR A 419 15.177 7.335 -2.631 1.00 0.00 O ATOM 594 CG2 THR A 419 16.930 6.622 -1.213 1.00 0.00 C ATOM 0 H THR A 419 14.897 5.915 -0.134 1.00 0.00 H new ATOM 0 HA THR A 419 15.530 8.627 0.411 1.00 0.00 H new ATOM 0 HB THR A 419 16.461 8.648 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.788 7.157 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.554 6.471 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.557 6.910 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.406 5.696 -0.976 1.00 0.00 H new ATOM 602 N PRO A 420 13.917 10.008 -1.246 1.00 0.00 N ATOM 603 CA PRO A 420 12.792 10.823 -1.719 1.00 0.00 C ATOM 604 C PRO A 420 11.967 10.112 -2.785 1.00 0.00 C ATOM 605 O PRO A 420 10.758 9.939 -2.630 1.00 0.00 O ATOM 606 CB PRO A 420 13.467 12.069 -2.298 1.00 0.00 C ATOM 607 CG PRO A 420 14.778 12.148 -1.595 1.00 0.00 C ATOM 608 CD PRO A 420 15.200 10.727 -1.347 1.00 0.00 C ATOM 0 HA PRO A 420 12.086 11.043 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.600 11.983 -3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 420 12.868 12.962 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.515 12.674 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.686 12.697 -0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.815 10.342 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.787 10.635 -0.433 1.00 0.00 H new ATOM 616 N GLU A 421 12.622 9.697 -3.864 1.00 0.00 N ATOM 617 CA GLU A 421 11.934 8.998 -4.943 1.00 0.00 C ATOM 618 C GLU A 421 11.264 7.739 -4.411 1.00 0.00 C ATOM 619 O GLU A 421 10.120 7.440 -4.753 1.00 0.00 O ATOM 620 CB GLU A 421 12.915 8.641 -6.061 1.00 0.00 C ATOM 621 CG GLU A 421 13.524 9.853 -6.747 1.00 0.00 C ATOM 622 CD GLU A 421 14.426 9.475 -7.907 1.00 0.00 C ATOM 623 OE1 GLU A 421 15.561 9.021 -7.652 1.00 0.00 O ATOM 624 OE2 GLU A 421 13.995 9.632 -9.069 1.00 0.00 O ATOM 0 H GLU A 421 13.622 9.831 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 421 11.169 9.659 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.716 8.027 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.399 8.034 -6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.725 10.501 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.096 10.428 -6.019 1.00 0.00 H new ATOM 631 N GLU A 422 11.979 7.016 -3.557 1.00 0.00 N ATOM 632 CA GLU A 422 11.446 5.800 -2.962 1.00 0.00 C ATOM 633 C GLU A 422 10.275 6.135 -2.048 1.00 0.00 C ATOM 634 O GLU A 422 9.327 5.359 -1.927 1.00 0.00 O ATOM 635 CB GLU A 422 12.533 5.063 -2.177 1.00 0.00 C ATOM 636 CG GLU A 422 13.605 4.443 -3.059 1.00 0.00 C ATOM 637 CD GLU A 422 13.040 3.439 -4.046 1.00 0.00 C ATOM 638 OE1 GLU A 422 11.857 3.065 -3.902 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.781 3.028 -4.963 1.00 0.00 O ATOM 0 H GLU A 422 12.927 7.251 -3.263 1.00 0.00 H new ATOM 0 HA GLU A 422 11.096 5.148 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.003 5.759 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.069 4.279 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.122 5.232 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.347 3.951 -2.431 1.00 0.00 H new ATOM 646 N LYS A 423 10.342 7.303 -1.415 1.00 0.00 N ATOM 647 CA LYS A 423 9.280 7.747 -0.523 1.00 0.00 C ATOM 648 C LYS A 423 7.996 7.977 -1.309 1.00 0.00 C ATOM 649 O LYS A 423 6.899 7.692 -0.828 1.00 0.00 O ATOM 650 CB LYS A 423 9.691 9.032 0.199 1.00 0.00 C ATOM 651 CG LYS A 423 8.704 9.469 1.269 1.00 0.00 C ATOM 652 CD LYS A 423 8.797 8.591 2.505 1.00 0.00 C ATOM 653 CE LYS A 423 7.707 7.528 2.522 1.00 0.00 C ATOM 654 NZ LYS A 423 8.272 6.152 2.465 1.00 0.00 N ATOM 0 H LYS A 423 11.120 7.957 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 423 9.105 6.970 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.669 8.885 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.799 9.832 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.898 10.506 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.691 9.429 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 423 9.775 8.111 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.716 9.210 3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.108 7.637 3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 423 7.038 7.681 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.665 5.505 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 8.317 5.836 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 9.229 6.152 2.872 1.00 0.00 H new ATOM 668 N GLU A 424 8.144 8.486 -2.528 1.00 0.00 N ATOM 669 CA GLU A 424 7.000 8.747 -3.391 1.00 0.00 C ATOM 670 C GLU A 424 6.298 7.446 -3.758 1.00 0.00 C ATOM 671 O GLU A 424 5.074 7.351 -3.688 1.00 0.00 O ATOM 672 CB GLU A 424 7.447 9.481 -4.657 1.00 0.00 C ATOM 673 CG GLU A 424 7.578 10.985 -4.475 1.00 0.00 C ATOM 674 CD GLU A 424 6.267 11.640 -4.083 1.00 0.00 C ATOM 675 OE1 GLU A 424 5.205 11.016 -4.293 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.303 12.776 -3.566 1.00 0.00 O ATOM 0 H GLU A 424 9.046 8.726 -2.940 1.00 0.00 H new ATOM 0 HA GLU A 424 6.297 9.378 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.406 9.078 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.732 9.281 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 424 8.326 11.191 -3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 424 7.939 11.430 -5.402 1.00 0.00 H new ATOM 683 N ALA A 425 7.081 6.439 -4.138 1.00 0.00 N ATOM 684 CA ALA A 425 6.527 5.139 -4.502 1.00 0.00 C ATOM 685 C ALA A 425 5.703 4.570 -3.356 1.00 0.00 C ATOM 686 O ALA A 425 4.727 3.850 -3.570 1.00 0.00 O ATOM 687 CB ALA A 425 7.640 4.178 -4.891 1.00 0.00 C ATOM 0 H ALA A 425 8.097 6.498 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 425 5.871 5.271 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.210 3.213 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.188 4.581 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.321 4.050 -4.050 1.00 0.00 H new ATOM 693 N TYR A 426 6.101 4.914 -2.140 1.00 0.00 N ATOM 694 CA TYR A 426 5.405 4.463 -0.942 1.00 0.00 C ATOM 695 C TYR A 426 4.034 5.110 -0.855 1.00 0.00 C ATOM 696 O TYR A 426 3.025 4.446 -0.614 1.00 0.00 O ATOM 697 CB TYR A 426 6.212 4.836 0.299 1.00 0.00 C ATOM 698 CG TYR A 426 5.612 4.330 1.592 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.535 2.969 1.862 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.126 5.218 2.542 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.987 2.509 3.046 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.579 4.766 3.726 1.00 0.00 C ATOM 703 CZ TYR A 426 4.512 3.411 3.973 1.00 0.00 C ATOM 704 OH TYR A 426 3.966 2.956 5.152 1.00 0.00 O ATOM 0 H TYR A 426 6.909 5.509 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 426 5.291 3.380 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.222 4.438 0.198 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.301 5.921 0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.908 2.260 1.137 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.177 6.280 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.932 1.449 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.205 5.470 4.455 1.00 0.00 H new ATOM 0 HH TYR A 426 3.680 3.719 5.696 1.00 0.00 H new ATOM 714 N ILE A 427 4.020 6.420 -1.045 1.00 0.00 N ATOM 715 CA ILE A 427 2.797 7.198 -0.985 1.00 0.00 C ATOM 716 C ILE A 427 1.938 6.984 -2.229 1.00 0.00 C ATOM 717 O ILE A 427 0.709 7.006 -2.157 1.00 0.00 O ATOM 718 CB ILE A 427 3.123 8.696 -0.828 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.850 8.941 0.497 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.857 9.531 -0.903 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.101 9.778 0.358 1.00 0.00 C ATOM 0 H ILE A 427 4.855 6.971 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 427 2.231 6.858 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 427 3.777 8.996 -1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.168 9.435 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.113 7.980 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.109 10.585 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.375 9.375 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.177 9.233 -0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.562 9.909 1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.802 9.276 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.842 10.753 -0.055 1.00 0.00 H new ATOM 733 N ALA A 428 2.590 6.783 -3.366 1.00 0.00 N ATOM 734 CA ALA A 428 1.882 6.570 -4.621 1.00 0.00 C ATOM 735 C ALA A 428 0.986 5.338 -4.545 1.00 0.00 C ATOM 736 O ALA A 428 -0.136 5.343 -5.051 1.00 0.00 O ATOM 737 CB ALA A 428 2.871 6.436 -5.770 1.00 0.00 C ATOM 0 H ALA A 428 3.607 6.763 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 428 1.247 7.437 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.327 6.277 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.465 7.347 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.530 5.588 -5.586 1.00 0.00 H new ATOM 743 N MET A 429 1.487 4.284 -3.907 1.00 0.00 N ATOM 744 CA MET A 429 0.729 3.047 -3.764 1.00 0.00 C ATOM 745 C MET A 429 -0.555 3.284 -2.976 1.00 0.00 C ATOM 746 O MET A 429 -1.589 2.677 -3.256 1.00 0.00 O ATOM 747 CB MET A 429 1.576 1.979 -3.070 1.00 0.00 C ATOM 748 CG MET A 429 2.665 1.395 -3.956 1.00 0.00 C ATOM 749 SD MET A 429 3.471 -0.037 -3.213 1.00 0.00 S ATOM 750 CE MET A 429 4.127 0.685 -1.711 1.00 0.00 C ATOM 0 H MET A 429 2.414 4.263 -3.482 1.00 0.00 H new ATOM 0 HA MET A 429 0.464 2.697 -4.762 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.036 2.412 -2.182 1.00 0.00 H new ATOM 0 HB3 MET A 429 0.924 1.174 -2.731 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.233 1.107 -4.914 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.412 2.162 -4.161 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.301 -0.100 -0.975 1.00 0.00 H new ATOM 0 HE2 MET A 429 5.067 1.190 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.413 1.405 -1.311 1.00 0.00 H new