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 Set 1.1: A 406 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 397 MET CE :methyl -121:sc= -2.46! (180deg=-2.58) 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 180:sc= 0 USER MOD Single : A 417 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 418 MET CE :methyl -107:sc= -5.36! (180deg=-9.15!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -0.856 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 132:sc= -3.26 (180deg=-4.17!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.412 -4.631 -2.453 1.00 0.00 N ATOM 212 CA ILE A 395 5.835 -4.557 -2.144 1.00 0.00 C ATOM 213 C ILE A 395 6.340 -3.120 -2.218 1.00 0.00 C ATOM 214 O ILE A 395 6.096 -2.414 -3.198 1.00 0.00 O ATOM 215 CB ILE A 395 6.666 -5.432 -3.105 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.135 -6.866 -3.112 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.138 -5.410 -2.711 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.306 -7.580 -1.789 1.00 0.00 C ATOM 0 HA ILE A 395 5.957 -4.930 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 395 6.574 -5.023 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.077 -6.852 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.648 -7.431 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 395 8.708 -6.033 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.511 -4.387 -2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.249 -5.795 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 395 5.907 -8.591 -1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.365 -7.626 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.769 -7.038 -1.011 1.00 0.00 H new ATOM 230 N VAL A 396 7.050 -2.696 -1.179 1.00 0.00 N ATOM 231 CA VAL A 396 7.596 -1.347 -1.123 1.00 0.00 C ATOM 232 C VAL A 396 9.121 -1.382 -1.104 1.00 0.00 C ATOM 233 O VAL A 396 9.723 -2.204 -0.414 1.00 0.00 O ATOM 234 CB VAL A 396 7.093 -0.588 0.122 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.563 -1.273 1.395 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.548 0.863 0.085 1.00 0.00 C ATOM 0 H VAL A 396 7.261 -3.269 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 396 7.254 -0.824 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 396 6.003 -0.601 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.197 -0.722 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.177 -2.292 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.653 -1.297 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.183 1.381 0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.637 0.902 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.150 1.346 -0.807 1.00 0.00 H new ATOM 246 N MET A 397 9.741 -0.489 -1.866 1.00 0.00 N ATOM 247 CA MET A 397 11.196 -0.426 -1.934 1.00 0.00 C ATOM 248 C MET A 397 11.760 0.434 -0.808 1.00 0.00 C ATOM 249 O MET A 397 11.539 1.645 -0.767 1.00 0.00 O ATOM 250 CB MET A 397 11.640 0.131 -3.288 1.00 0.00 C ATOM 251 CG MET A 397 11.033 -0.600 -4.475 1.00 0.00 C ATOM 252 SD MET A 397 12.218 -1.673 -5.311 1.00 0.00 S ATOM 253 CE MET A 397 12.188 -3.109 -4.243 1.00 0.00 C ATOM 0 H MET A 397 9.260 0.200 -2.444 1.00 0.00 H new ATOM 0 HA MET A 397 11.583 -1.439 -1.820 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.369 1.185 -3.344 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.727 0.077 -3.355 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.186 -1.196 -4.135 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.645 0.129 -5.186 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.189 -3.295 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.504 -2.931 -3.413 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.852 -3.977 -4.810 1.00 0.00 H new ATOM 263 N VAL A 398 12.494 -0.198 0.103 1.00 0.00 N ATOM 264 CA VAL A 398 13.096 0.510 1.227 1.00 0.00 C ATOM 265 C VAL A 398 14.618 0.476 1.140 1.00 0.00 C ATOM 266 O VAL A 398 15.221 -0.595 1.067 1.00 0.00 O ATOM 267 CB VAL A 398 12.658 -0.093 2.576 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.179 0.748 3.732 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.142 -0.218 2.639 1.00 0.00 C ATOM 0 H VAL A 398 12.686 -1.200 0.084 1.00 0.00 H new ATOM 0 HA VAL A 398 12.750 1.542 1.172 1.00 0.00 H new ATOM 0 HB VAL A 398 13.086 -1.092 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.860 0.307 4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.268 0.780 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.783 1.760 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.852 -0.646 3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.691 0.768 2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.797 -0.866 1.834 1.00 0.00 H new ATOM 279 N ALA A 399 15.233 1.654 1.146 1.00 0.00 N ATOM 280 CA ALA A 399 16.686 1.758 1.066 1.00 0.00 C ATOM 281 C ALA A 399 17.222 1.060 -0.180 1.00 0.00 C ATOM 282 O ALA A 399 18.364 0.603 -0.204 1.00 0.00 O ATOM 283 CB ALA A 399 17.326 1.171 2.316 1.00 0.00 C ATOM 0 H ALA A 399 14.749 2.550 1.205 1.00 0.00 H new ATOM 0 HA ALA A 399 16.945 2.815 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.410 1.255 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.978 1.716 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 399 17.049 0.121 2.408 1.00 0.00 H new ATOM 289 N GLY A 400 16.389 0.980 -1.213 1.00 0.00 N ATOM 290 CA GLY A 400 16.798 0.336 -2.448 1.00 0.00 C ATOM 291 C GLY A 400 16.631 -1.171 -2.404 1.00 0.00 C ATOM 292 O GLY A 400 17.285 -1.895 -3.155 1.00 0.00 O ATOM 0 H GLY A 400 15.438 1.350 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.212 0.739 -3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.842 0.576 -2.650 1.00 0.00 H new ATOM 296 N ARG A 401 15.754 -1.645 -1.524 1.00 0.00 N ATOM 297 CA ARG A 401 15.505 -3.074 -1.387 1.00 0.00 C ATOM 298 C ARG A 401 14.010 -3.357 -1.253 1.00 0.00 C ATOM 299 O ARG A 401 13.249 -2.507 -0.790 1.00 0.00 O ATOM 300 CB ARG A 401 16.252 -3.630 -0.173 1.00 0.00 C ATOM 301 CG ARG A 401 17.752 -3.384 -0.217 1.00 0.00 C ATOM 302 CD ARG A 401 18.159 -2.242 0.703 1.00 0.00 C ATOM 303 NE ARG A 401 19.466 -1.696 0.350 1.00 0.00 N ATOM 304 CZ ARG A 401 20.617 -2.333 0.557 1.00 0.00 C ATOM 305 NH1 ARG A 401 20.626 -3.539 1.111 1.00 0.00 N ATOM 306 NH2 ARG A 401 21.763 -1.763 0.207 1.00 0.00 N ATOM 0 H ARG A 401 15.204 -1.059 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 401 15.871 -3.568 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 401 15.845 -3.179 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 401 16.070 -4.702 -0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 401 18.279 -4.292 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.054 -3.154 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.410 -1.452 0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 401 18.180 -2.596 1.734 1.00 0.00 H new ATOM 0 HE ARG A 401 19.500 -0.772 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.748 -3.983 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 401 21.511 -4.022 1.267 1.00 0.00 H new ATOM 0 HH21 ARG A 401 21.762 -0.837 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 401 22.645 -2.251 0.366 1.00 0.00 H new ATOM 320 N PRO A 402 13.567 -4.560 -1.659 1.00 0.00 N ATOM 321 CA PRO A 402 12.155 -4.947 -1.582 1.00 0.00 C ATOM 322 C PRO A 402 11.681 -5.127 -0.144 1.00 0.00 C ATOM 323 O PRO A 402 12.372 -5.728 0.680 1.00 0.00 O ATOM 324 CB PRO A 402 12.110 -6.282 -2.330 1.00 0.00 C ATOM 325 CG PRO A 402 13.493 -6.826 -2.221 1.00 0.00 C ATOM 326 CD PRO A 402 14.407 -5.632 -2.225 1.00 0.00 C ATOM 0 HA PRO A 402 11.501 -4.184 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.382 -6.960 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.821 -6.142 -3.372 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.613 -7.407 -1.307 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.717 -7.492 -3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.298 -5.806 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.746 -5.388 -3.232 1.00 0.00 H new ATOM 334 N PHE A 403 10.498 -4.599 0.150 1.00 0.00 N ATOM 335 CA PHE A 403 9.925 -4.696 1.488 1.00 0.00 C ATOM 336 C PHE A 403 8.406 -4.799 1.417 1.00 0.00 C ATOM 337 O PHE A 403 7.812 -4.635 0.351 1.00 0.00 O ATOM 338 CB PHE A 403 10.326 -3.482 2.328 1.00 0.00 C ATOM 339 CG PHE A 403 11.639 -3.651 3.036 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.832 -3.585 2.336 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.679 -3.877 4.403 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.042 -3.741 2.985 1.00 0.00 C ATOM 343 CE2 PHE A 403 12.886 -4.033 5.058 1.00 0.00 C ATOM 344 CZ PHE A 403 14.070 -3.965 4.348 1.00 0.00 C ATOM 0 H PHE A 403 9.916 -4.098 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 403 10.314 -5.598 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.381 -2.605 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.547 -3.287 3.065 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.817 -3.410 1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 403 10.757 -3.932 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.965 -3.688 2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 403 12.904 -4.208 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.015 -4.087 4.857 1.00 0.00 H new ATOM 354 N SER A 404 7.781 -5.067 2.558 1.00 0.00 N ATOM 355 CA SER A 404 6.330 -5.184 2.622 1.00 0.00 C ATOM 356 C SER A 404 5.707 -3.878 3.098 1.00 0.00 C ATOM 357 O SER A 404 6.122 -3.315 4.111 1.00 0.00 O ATOM 358 CB SER A 404 5.929 -6.327 3.557 1.00 0.00 C ATOM 359 OG SER A 404 6.479 -7.559 3.122 1.00 0.00 O ATOM 0 H SER A 404 8.256 -5.207 3.450 1.00 0.00 H new ATOM 0 HA SER A 404 5.960 -5.401 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 404 6.271 -6.110 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.842 -6.404 3.597 1.00 0.00 H new ATOM 0 HG SER A 404 6.210 -8.273 3.737 1.00 0.00 H new ATOM 365 N TYR A 405 4.712 -3.396 2.361 1.00 0.00 N ATOM 366 CA TYR A 405 4.035 -2.151 2.708 1.00 0.00 C ATOM 367 C TYR A 405 3.557 -2.173 4.158 1.00 0.00 C ATOM 368 O TYR A 405 3.657 -1.174 4.870 1.00 0.00 O ATOM 369 CB TYR A 405 2.852 -1.911 1.771 1.00 0.00 C ATOM 370 CG TYR A 405 2.251 -0.529 1.895 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.984 0.600 1.553 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.951 -0.353 2.354 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.441 1.866 1.664 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.400 0.909 2.468 1.00 0.00 C ATOM 375 CZ TYR A 405 1.148 2.014 2.122 1.00 0.00 C ATOM 376 OH TYR A 405 0.602 3.273 2.234 1.00 0.00 O ATOM 0 H TYR A 405 4.356 -3.849 1.519 1.00 0.00 H new ATOM 0 HA TYR A 405 4.750 -1.336 2.595 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.177 -2.065 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 405 2.081 -2.653 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.996 0.487 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.362 -1.216 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.025 2.734 1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.612 1.029 2.826 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.316 3.203 2.570 1.00 0.00 H new ATOM 386 N SER A 406 3.044 -3.320 4.588 1.00 0.00 N ATOM 387 CA SER A 406 2.558 -3.473 5.954 1.00 0.00 C ATOM 388 C SER A 406 3.713 -3.407 6.949 1.00 0.00 C ATOM 389 O SER A 406 3.564 -2.888 8.054 1.00 0.00 O ATOM 390 CB SER A 406 1.811 -4.798 6.107 1.00 0.00 C ATOM 391 OG SER A 406 1.381 -4.990 7.444 1.00 0.00 O ATOM 0 H SER A 406 2.954 -4.157 4.011 1.00 0.00 H new ATOM 0 HA SER A 406 1.871 -2.653 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 406 0.950 -4.813 5.439 1.00 0.00 H new ATOM 0 HB3 SER A 406 2.460 -5.621 5.809 1.00 0.00 H new ATOM 0 HG SER A 406 0.905 -5.844 7.515 1.00 0.00 H new ATOM 397 N GLU A 407 4.863 -3.939 6.547 1.00 0.00 N ATOM 398 CA GLU A 407 6.044 -3.943 7.402 1.00 0.00 C ATOM 399 C GLU A 407 6.575 -2.529 7.609 1.00 0.00 C ATOM 400 O GLU A 407 7.143 -2.212 8.653 1.00 0.00 O ATOM 401 CB GLU A 407 7.136 -4.829 6.800 1.00 0.00 C ATOM 402 CG GLU A 407 8.354 -4.990 7.696 1.00 0.00 C ATOM 403 CD GLU A 407 9.461 -5.793 7.040 1.00 0.00 C ATOM 404 OE1 GLU A 407 9.278 -6.224 5.882 1.00 0.00 O ATOM 405 OE2 GLU A 407 10.512 -5.989 7.685 1.00 0.00 O ATOM 0 H GLU A 407 5.002 -4.373 5.634 1.00 0.00 H new ATOM 0 HA GLU A 407 5.754 -4.346 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.718 -5.813 6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.451 -4.406 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.735 -4.005 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.056 -5.480 8.623 1.00 0.00 H new ATOM 412 N VAL A 408 6.381 -1.686 6.606 1.00 0.00 N ATOM 413 CA VAL A 408 6.835 -0.302 6.670 1.00 0.00 C ATOM 414 C VAL A 408 6.009 0.495 7.675 1.00 0.00 C ATOM 415 O VAL A 408 6.552 1.260 8.472 1.00 0.00 O ATOM 416 CB VAL A 408 6.756 0.383 5.290 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.211 1.832 5.378 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.586 -0.376 4.265 1.00 0.00 C ATOM 0 H VAL A 408 5.911 -1.935 5.736 1.00 0.00 H new ATOM 0 HA VAL A 408 7.876 -0.322 6.992 1.00 0.00 H new ATOM 0 HB VAL A 408 5.715 0.372 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.147 2.294 4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.571 2.373 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.242 1.869 5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.517 0.124 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.627 -0.401 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 408 7.210 -1.395 4.174 1.00 0.00 H new ATOM 428 N SER A 409 4.693 0.313 7.630 1.00 0.00 N ATOM 429 CA SER A 409 3.792 1.016 8.536 1.00 0.00 C ATOM 430 C SER A 409 4.063 0.629 9.984 1.00 0.00 C ATOM 431 O SER A 409 3.873 1.431 10.899 1.00 0.00 O ATOM 432 CB SER A 409 2.336 0.717 8.177 1.00 0.00 C ATOM 433 OG SER A 409 1.446 1.462 8.991 1.00 0.00 O ATOM 0 H SER A 409 4.227 -0.315 6.976 1.00 0.00 H new ATOM 0 HA SER A 409 3.972 2.086 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 409 2.161 0.956 7.128 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.140 -0.348 8.299 1.00 0.00 H new ATOM 0 HG SER A 409 0.522 1.254 8.740 1.00 0.00 H new ATOM 439 N GLN A 410 4.508 -0.602 10.181 1.00 0.00 N ATOM 440 CA GLN A 410 4.809 -1.105 11.517 1.00 0.00 C ATOM 441 C GLN A 410 6.123 -0.530 12.034 1.00 0.00 C ATOM 442 O GLN A 410 6.331 -0.414 13.241 1.00 0.00 O ATOM 443 CB GLN A 410 4.874 -2.634 11.510 1.00 0.00 C ATOM 444 CG GLN A 410 3.531 -3.298 11.254 1.00 0.00 C ATOM 445 CD GLN A 410 3.597 -4.808 11.365 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.627 -5.360 12.466 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.621 -5.485 10.224 1.00 0.00 N ATOM 0 H GLN A 410 4.670 -1.275 9.432 1.00 0.00 H new ATOM 0 HA GLN A 410 4.008 -0.787 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.581 -2.956 10.745 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.263 -2.977 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.800 -2.917 11.967 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.179 -3.026 10.259 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.594 -4.986 9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.666 -6.504 10.236 1.00 0.00 H new ATOM 456 N ARG A 411 7.005 -0.174 11.110 1.00 0.00 N ATOM 457 CA ARG A 411 8.303 0.389 11.464 1.00 0.00 C ATOM 458 C ARG A 411 8.526 1.725 10.762 1.00 0.00 C ATOM 459 O ARG A 411 9.143 1.782 9.698 1.00 0.00 O ATOM 460 CB ARG A 411 9.420 -0.588 11.096 1.00 0.00 C ATOM 461 CG ARG A 411 9.550 -1.756 12.061 1.00 0.00 C ATOM 462 CD ARG A 411 10.998 -2.188 12.222 1.00 0.00 C ATOM 463 NE ARG A 411 11.108 -3.554 12.728 1.00 0.00 N ATOM 464 CZ ARG A 411 10.961 -4.639 11.971 1.00 0.00 C ATOM 465 NH1 ARG A 411 10.699 -4.522 10.675 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.078 -5.844 12.511 1.00 0.00 N ATOM 0 H ARG A 411 6.846 -0.265 10.107 1.00 0.00 H new ATOM 0 HA ARG A 411 8.318 0.559 12.541 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.237 -0.975 10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.367 -0.049 11.062 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.143 -1.474 13.032 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.957 -2.596 11.699 1.00 0.00 H new ATOM 0 HD2 ARG A 411 11.507 -2.115 11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.506 -1.507 12.904 1.00 0.00 H new ATOM 0 HE ARG A 411 11.309 -3.684 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 411 10.609 -3.597 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 411 10.587 -5.357 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 411 11.281 -5.939 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 411 10.965 -6.676 11.931 1.00 0.00 H new ATOM 480 N PRO A 412 8.025 2.825 11.350 1.00 0.00 N ATOM 481 CA PRO A 412 8.173 4.166 10.774 1.00 0.00 C ATOM 482 C PRO A 412 9.624 4.499 10.444 1.00 0.00 C ATOM 483 O PRO A 412 9.897 5.330 9.576 1.00 0.00 O ATOM 484 CB PRO A 412 7.652 5.088 11.880 1.00 0.00 C ATOM 485 CG PRO A 412 6.715 4.242 12.670 1.00 0.00 C ATOM 486 CD PRO A 412 7.274 2.847 12.620 1.00 0.00 C ATOM 0 HA PRO A 412 7.637 4.264 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.467 5.461 12.500 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.144 5.958 11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 412 6.642 4.596 13.698 1.00 0.00 H new ATOM 0 HG3 PRO A 412 5.710 4.275 12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 412 7.921 2.643 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.484 2.097 12.632 1.00 0.00 H new ATOM 494 N GLU A 413 10.551 3.849 11.140 1.00 0.00 N ATOM 495 CA GLU A 413 11.973 4.080 10.918 1.00 0.00 C ATOM 496 C GLU A 413 12.369 3.724 9.492 1.00 0.00 C ATOM 497 O GLU A 413 13.303 4.299 8.931 1.00 0.00 O ATOM 498 CB GLU A 413 12.806 3.267 11.910 1.00 0.00 C ATOM 499 CG GLU A 413 12.519 3.602 13.364 1.00 0.00 C ATOM 500 CD GLU A 413 12.828 5.047 13.704 1.00 0.00 C ATOM 501 OE1 GLU A 413 13.564 5.695 12.929 1.00 0.00 O ATOM 502 OE2 GLU A 413 12.335 5.532 14.743 1.00 0.00 O ATOM 0 H GLU A 413 10.343 3.159 11.862 1.00 0.00 H new ATOM 0 HA GLU A 413 12.169 5.141 11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.617 2.206 11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 413 13.864 3.437 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 413 11.470 3.399 13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 413 13.109 2.948 14.006 1.00 0.00 H new ATOM 509 N LEU A 414 11.653 2.772 8.912 1.00 0.00 N ATOM 510 CA LEU A 414 11.926 2.334 7.548 1.00 0.00 C ATOM 511 C LEU A 414 11.626 3.449 6.552 1.00 0.00 C ATOM 512 O LEU A 414 12.327 3.606 5.552 1.00 0.00 O ATOM 513 CB LEU A 414 11.096 1.093 7.211 1.00 0.00 C ATOM 514 CG LEU A 414 11.212 -0.059 8.212 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.499 -1.296 7.685 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.672 -0.369 8.506 1.00 0.00 C ATOM 0 H LEU A 414 10.878 2.287 9.364 1.00 0.00 H new ATOM 0 HA LEU A 414 12.984 2.082 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.048 1.385 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.396 0.731 6.228 1.00 0.00 H new ATOM 0 HG LEU A 414 10.733 0.245 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.591 -2.105 8.409 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.445 -1.069 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.950 -1.601 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.733 -1.191 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.177 -0.652 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.154 0.514 8.927 1.00 0.00 H new ATOM 528 N VAL A 415 10.583 4.222 6.835 1.00 0.00 N ATOM 529 CA VAL A 415 10.194 5.324 5.965 1.00 0.00 C ATOM 530 C VAL A 415 11.289 6.383 5.909 1.00 0.00 C ATOM 531 O VAL A 415 11.544 6.971 4.857 1.00 0.00 O ATOM 532 CB VAL A 415 8.882 5.978 6.438 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.422 7.039 5.448 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.804 4.923 6.639 1.00 0.00 C ATOM 0 H VAL A 415 9.993 4.105 7.659 1.00 0.00 H new ATOM 0 HA VAL A 415 10.041 4.908 4.969 1.00 0.00 H new ATOM 0 HB VAL A 415 9.066 6.466 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.494 7.488 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.187 7.810 5.359 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.255 6.580 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 415 6.884 5.402 6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.622 4.405 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.133 4.205 7.391 1.00 0.00 H new ATOM 544 N ALA A 416 11.937 6.620 7.046 1.00 0.00 N ATOM 545 CA ALA A 416 13.007 7.605 7.122 1.00 0.00 C ATOM 546 C ALA A 416 14.196 7.186 6.269 1.00 0.00 C ATOM 547 O ALA A 416 14.935 8.026 5.753 1.00 0.00 O ATOM 548 CB ALA A 416 13.436 7.812 8.567 1.00 0.00 C ATOM 0 H ALA A 416 11.739 6.143 7.926 1.00 0.00 H new ATOM 0 HA ALA A 416 12.627 8.549 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.236 8.551 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.587 8.165 9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.793 6.868 8.979 1.00 0.00 H new ATOM 554 N GLN A 417 14.371 5.880 6.121 1.00 0.00 N ATOM 555 CA GLN A 417 15.466 5.336 5.327 1.00 0.00 C ATOM 556 C GLN A 417 15.141 5.391 3.837 1.00 0.00 C ATOM 557 O GLN A 417 16.038 5.353 2.994 1.00 0.00 O ATOM 558 CB GLN A 417 15.760 3.895 5.745 1.00 0.00 C ATOM 559 CG GLN A 417 16.220 3.761 7.186 1.00 0.00 C ATOM 560 CD GLN A 417 16.641 2.346 7.535 1.00 0.00 C ATOM 561 OE1 GLN A 417 17.747 1.916 7.208 1.00 0.00 O ATOM 562 NE2 GLN A 417 15.756 1.613 8.202 1.00 0.00 N ATOM 0 H GLN A 417 13.766 5.174 6.542 1.00 0.00 H new ATOM 0 HA GLN A 417 16.350 5.947 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.862 3.294 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.527 3.484 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.056 4.438 7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.414 4.071 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 417 14.851 2.010 8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 417 15.982 0.653 8.463 1.00 0.00 H new ATOM 571 N MET A 418 13.854 5.480 3.520 1.00 0.00 N ATOM 572 CA MET A 418 13.409 5.539 2.134 1.00 0.00 C ATOM 573 C MET A 418 13.807 6.862 1.487 1.00 0.00 C ATOM 574 O MET A 418 13.453 7.934 1.978 1.00 0.00 O ATOM 575 CB MET A 418 11.891 5.366 2.057 1.00 0.00 C ATOM 576 CG MET A 418 11.444 3.915 2.009 1.00 0.00 C ATOM 577 SD MET A 418 9.766 3.727 1.378 1.00 0.00 S ATOM 578 CE MET A 418 9.066 2.620 2.599 1.00 0.00 C ATOM 0 H MET A 418 13.100 5.513 4.206 1.00 0.00 H new ATOM 0 HA MET A 418 13.894 4.727 1.592 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.435 5.849 2.921 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.520 5.881 1.171 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.130 3.348 1.380 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.502 3.488 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.949 1.627 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.730 2.564 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.092 2.995 2.914 1.00 0.00 H new ATOM 588 N THR A 419 14.536 6.780 0.378 1.00 0.00 N ATOM 589 CA THR A 419 14.970 7.975 -0.337 1.00 0.00 C ATOM 590 C THR A 419 13.759 8.767 -0.822 1.00 0.00 C ATOM 591 O THR A 419 12.635 8.269 -0.791 1.00 0.00 O ATOM 592 CB THR A 419 15.859 7.592 -1.523 1.00 0.00 C ATOM 593 OG1 THR A 419 15.074 7.150 -2.617 1.00 0.00 O ATOM 594 CG2 THR A 419 16.855 6.498 -1.202 1.00 0.00 C ATOM 0 H THR A 419 14.838 5.902 -0.044 1.00 0.00 H new ATOM 0 HA THR A 419 15.548 8.598 0.345 1.00 0.00 H new ATOM 0 HB THR A 419 16.410 8.499 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.660 6.912 -3.365 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.451 6.277 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.511 6.828 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.321 5.600 -0.891 1.00 0.00 H new ATOM 602 N PRO A 420 13.964 10.015 -1.277 1.00 0.00 N ATOM 603 CA PRO A 420 12.870 10.861 -1.762 1.00 0.00 C ATOM 604 C PRO A 420 12.014 10.152 -2.804 1.00 0.00 C ATOM 605 O PRO A 420 10.801 10.021 -2.636 1.00 0.00 O ATOM 606 CB PRO A 420 13.591 12.061 -2.378 1.00 0.00 C ATOM 607 CG PRO A 420 14.894 12.125 -1.659 1.00 0.00 C ATOM 608 CD PRO A 420 15.269 10.700 -1.352 1.00 0.00 C ATOM 0 HA PRO A 420 12.178 11.133 -0.965 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.736 11.929 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.019 12.979 -2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.656 12.605 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.806 12.711 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.903 10.274 -2.130 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.819 10.622 -0.414 1.00 0.00 H new ATOM 616 N GLU A 421 12.647 9.682 -3.873 1.00 0.00 N ATOM 617 CA GLU A 421 11.930 8.973 -4.924 1.00 0.00 C ATOM 618 C GLU A 421 11.260 7.733 -4.348 1.00 0.00 C ATOM 619 O GLU A 421 10.126 7.406 -4.694 1.00 0.00 O ATOM 620 CB GLU A 421 12.884 8.582 -6.054 1.00 0.00 C ATOM 621 CG GLU A 421 13.379 9.765 -6.867 1.00 0.00 C ATOM 622 CD GLU A 421 12.279 10.411 -7.687 1.00 0.00 C ATOM 623 OE1 GLU A 421 11.236 9.758 -7.899 1.00 0.00 O ATOM 624 OE2 GLU A 421 12.462 11.570 -8.118 1.00 0.00 O ATOM 0 H GLU A 421 13.650 9.779 -4.034 1.00 0.00 H new ATOM 0 HA GLU A 421 11.165 9.633 -5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.741 8.059 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.379 7.881 -6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 421 13.810 10.508 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 421 14.177 9.435 -7.532 1.00 0.00 H new ATOM 631 N GLU A 422 11.970 7.057 -3.451 1.00 0.00 N ATOM 632 CA GLU A 422 11.446 5.863 -2.806 1.00 0.00 C ATOM 633 C GLU A 422 10.245 6.216 -1.938 1.00 0.00 C ATOM 634 O GLU A 422 9.301 5.435 -1.819 1.00 0.00 O ATOM 635 CB GLU A 422 12.528 5.192 -1.959 1.00 0.00 C ATOM 636 CG GLU A 422 13.623 4.532 -2.783 1.00 0.00 C ATOM 637 CD GLU A 422 14.672 3.853 -1.923 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.673 4.080 -0.694 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.495 3.094 -2.479 1.00 0.00 O ATOM 0 H GLU A 422 12.911 7.318 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 422 11.128 5.165 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 422 12.978 5.937 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.064 4.442 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 422 13.176 3.797 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.103 5.283 -3.410 1.00 0.00 H new ATOM 646 N LYS A 423 10.283 7.405 -1.339 1.00 0.00 N ATOM 647 CA LYS A 423 9.191 7.860 -0.492 1.00 0.00 C ATOM 648 C LYS A 423 7.924 8.041 -1.319 1.00 0.00 C ATOM 649 O LYS A 423 6.820 7.753 -0.856 1.00 0.00 O ATOM 650 CB LYS A 423 9.560 9.176 0.195 1.00 0.00 C ATOM 651 CG LYS A 423 8.592 9.580 1.295 1.00 0.00 C ATOM 652 CD LYS A 423 8.987 10.903 1.929 1.00 0.00 C ATOM 653 CE LYS A 423 8.233 11.147 3.227 1.00 0.00 C ATOM 654 NZ LYS A 423 8.792 12.299 3.986 1.00 0.00 N ATOM 0 H LYS A 423 11.056 8.065 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 423 9.009 7.105 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.561 9.087 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.599 9.968 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.586 9.659 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.564 8.803 2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.059 10.908 2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 423 8.785 11.716 1.232 1.00 0.00 H new ATOM 0 HE2 LYS A 423 7.182 11.333 3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.275 10.250 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 8.250 12.432 4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.788 12.111 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 8.729 13.160 3.406 1.00 0.00 H new ATOM 668 N GLU A 424 8.095 8.510 -2.550 1.00 0.00 N ATOM 669 CA GLU A 424 6.968 8.721 -3.449 1.00 0.00 C ATOM 670 C GLU A 424 6.294 7.395 -3.779 1.00 0.00 C ATOM 671 O GLU A 424 5.071 7.282 -3.725 1.00 0.00 O ATOM 672 CB GLU A 424 7.435 9.410 -4.734 1.00 0.00 C ATOM 673 CG GLU A 424 7.537 10.921 -4.610 1.00 0.00 C ATOM 674 CD GLU A 424 7.936 11.588 -5.912 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.384 10.874 -6.833 1.00 0.00 O ATOM 676 OE2 GLU A 424 7.802 12.826 -6.010 1.00 0.00 O ATOM 0 H GLU A 424 9.003 8.751 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 424 6.244 9.364 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.409 9.010 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.743 9.166 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.578 11.320 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.267 11.170 -3.840 1.00 0.00 H new ATOM 683 N ALA A 425 7.099 6.389 -4.108 1.00 0.00 N ATOM 684 CA ALA A 425 6.573 5.069 -4.433 1.00 0.00 C ATOM 685 C ALA A 425 5.764 4.513 -3.269 1.00 0.00 C ATOM 686 O ALA A 425 4.808 3.764 -3.459 1.00 0.00 O ATOM 687 CB ALA A 425 7.704 4.120 -4.799 1.00 0.00 C ATOM 0 H ALA A 425 8.115 6.463 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 425 5.912 5.165 -5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.293 3.139 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.241 4.510 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.390 4.030 -3.957 1.00 0.00 H new ATOM 693 N TYR A 426 6.153 4.904 -2.065 1.00 0.00 N ATOM 694 CA TYR A 426 5.471 4.471 -0.852 1.00 0.00 C ATOM 695 C TYR A 426 4.091 5.101 -0.771 1.00 0.00 C ATOM 696 O TYR A 426 3.099 4.438 -0.469 1.00 0.00 O ATOM 697 CB TYR A 426 6.277 4.885 0.376 1.00 0.00 C ATOM 698 CG TYR A 426 5.655 4.461 1.688 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.595 3.123 2.055 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.125 5.405 2.558 1.00 0.00 C ATOM 701 CE1 TYR A 426 5.024 2.737 3.253 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.554 5.028 3.758 1.00 0.00 C ATOM 703 CZ TYR A 426 4.507 3.694 4.101 1.00 0.00 C ATOM 704 OH TYR A 426 3.938 3.314 5.295 1.00 0.00 O ATOM 0 H TYR A 426 6.944 5.526 -1.900 1.00 0.00 H new ATOM 0 HA TYR A 426 5.374 3.386 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.277 4.457 0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.394 5.969 0.374 1.00 0.00 H new ATOM 0 HD1 TYR A 426 6.001 2.372 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.160 6.451 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.983 1.692 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.147 5.774 4.424 1.00 0.00 H new ATOM 0 HH TYR A 426 3.623 4.108 5.775 1.00 0.00 H new ATOM 714 N ILE A 427 4.054 6.399 -1.029 1.00 0.00 N ATOM 715 CA ILE A 427 2.822 7.163 -0.978 1.00 0.00 C ATOM 716 C ILE A 427 1.963 6.926 -2.217 1.00 0.00 C ATOM 717 O ILE A 427 0.734 6.941 -2.142 1.00 0.00 O ATOM 718 CB ILE A 427 3.131 8.665 -0.842 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.891 8.927 0.461 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.851 9.478 -0.888 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.211 10.387 0.697 1.00 0.00 C ATOM 0 H ILE A 427 4.876 6.949 -1.279 1.00 0.00 H new ATOM 0 HA ILE A 427 2.262 6.825 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 427 3.758 8.972 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.299 8.554 1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.821 8.358 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.089 10.537 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.345 9.306 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.198 9.176 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 427 4.750 10.494 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 427 4.829 10.760 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 427 3.285 10.960 0.742 1.00 0.00 H new ATOM 733 N ALA A 428 2.611 6.716 -3.353 1.00 0.00 N ATOM 734 CA ALA A 428 1.901 6.485 -4.602 1.00 0.00 C ATOM 735 C ALA A 428 1.076 5.204 -4.540 1.00 0.00 C ATOM 736 O ALA A 428 -0.037 5.145 -5.063 1.00 0.00 O ATOM 737 CB ALA A 428 2.879 6.432 -5.766 1.00 0.00 C ATOM 0 H ALA A 428 3.628 6.701 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 428 1.215 7.318 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.332 6.259 -6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.416 7.378 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.590 5.621 -5.607 1.00 0.00 H new ATOM 743 N MET A 429 1.627 4.178 -3.898 1.00 0.00 N ATOM 744 CA MET A 429 0.938 2.899 -3.769 1.00 0.00 C ATOM 745 C MET A 429 -0.385 3.065 -3.029 1.00 0.00 C ATOM 746 O MET A 429 -1.409 2.518 -3.437 1.00 0.00 O ATOM 747 CB MET A 429 1.821 1.887 -3.038 1.00 0.00 C ATOM 748 CG MET A 429 2.898 1.269 -3.915 1.00 0.00 C ATOM 749 SD MET A 429 3.723 -0.125 -3.125 1.00 0.00 S ATOM 750 CE MET A 429 4.407 0.665 -1.670 1.00 0.00 C ATOM 0 H MET A 429 2.548 4.208 -3.460 1.00 0.00 H new ATOM 0 HA MET A 429 0.729 2.528 -4.772 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.295 2.379 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.192 1.093 -2.636 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.452 0.938 -4.853 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.638 2.029 -4.165 1.00 0.00 H new ATOM 0 HE1 MET A 429 4.177 0.066 -0.789 1.00 0.00 H new ATOM 0 HE2 MET A 429 5.488 0.752 -1.777 1.00 0.00 H new ATOM 0 HE3 MET A 429 3.973 1.658 -1.557 1.00 0.00 H new