USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 397 MET CE :methyl -145:sc= -3.28! (180deg=-4.29!) 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 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -39:sc= 1.23 USER MOD Single : A 410 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 418 MET CE :methyl -131:sc= -1.96 (180deg=-6.71!) USER MOD Single : A 419 THR OG1 : rot -174:sc= -0.995 USER MOD Single : A 423 LYS NZ :NH3+ -130:sc= 0 (180deg=-1.59!) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -121:sc= -2.88 (180deg=-4.46!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.712 -4.746 -2.908 1.00 0.00 N ATOM 212 CA ILE A 395 6.049 -4.609 -2.343 1.00 0.00 C ATOM 213 C ILE A 395 6.531 -3.164 -2.418 1.00 0.00 C ATOM 214 O ILE A 395 6.352 -2.489 -3.432 1.00 0.00 O ATOM 215 CB ILE A 395 7.063 -5.517 -3.067 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.585 -6.970 -3.046 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.441 -5.399 -2.429 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.554 -7.576 -1.659 1.00 0.00 C ATOM 0 HA ILE A 395 5.984 -4.914 -1.299 1.00 0.00 H new ATOM 0 HB ILE A 395 7.138 -5.191 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.586 -7.022 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 395 7.239 -7.568 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 395 9.142 -6.048 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.784 -4.366 -2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.384 -5.698 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.206 -8.607 -1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.556 -7.556 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.878 -7.001 -1.026 1.00 0.00 H new ATOM 230 N VAL A 396 7.147 -2.699 -1.338 1.00 0.00 N ATOM 231 CA VAL A 396 7.662 -1.338 -1.274 1.00 0.00 C ATOM 232 C VAL A 396 9.185 -1.340 -1.185 1.00 0.00 C ATOM 233 O VAL A 396 9.770 -2.113 -0.428 1.00 0.00 O ATOM 234 CB VAL A 396 7.088 -0.577 -0.062 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.517 -1.238 1.238 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.514 0.883 -0.095 1.00 0.00 C ATOM 0 H VAL A 396 7.302 -3.247 -0.492 1.00 0.00 H new ATOM 0 HA VAL A 396 7.351 -0.833 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 396 6.000 -0.614 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.102 -0.686 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.152 -2.265 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.605 -1.238 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 396 7.099 1.403 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.602 0.945 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 396 7.147 1.349 -1.010 1.00 0.00 H new ATOM 246 N MET A 397 9.821 -0.471 -1.962 1.00 0.00 N ATOM 247 CA MET A 397 11.276 -0.378 -1.964 1.00 0.00 C ATOM 248 C MET A 397 11.764 0.511 -0.827 1.00 0.00 C ATOM 249 O MET A 397 11.512 1.717 -0.816 1.00 0.00 O ATOM 250 CB MET A 397 11.771 0.170 -3.304 1.00 0.00 C ATOM 251 CG MET A 397 11.667 -0.828 -4.446 1.00 0.00 C ATOM 252 SD MET A 397 13.123 -1.883 -4.581 1.00 0.00 S ATOM 253 CE MET A 397 12.541 -3.370 -3.769 1.00 0.00 C ATOM 0 H MET A 397 9.354 0.177 -2.596 1.00 0.00 H new ATOM 0 HA MET A 397 11.680 -1.380 -1.818 1.00 0.00 H new ATOM 0 HB2 MET A 397 11.196 1.061 -3.557 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.810 0.481 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.784 -1.451 -4.300 1.00 0.00 H new ATOM 0 HG3 MET A 397 11.526 -0.289 -5.383 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.364 -3.834 -3.225 1.00 0.00 H new ATOM 0 HE2 MET A 397 11.743 -3.115 -3.071 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.161 -4.067 -4.516 1.00 0.00 H new ATOM 263 N VAL A 398 12.465 -0.089 0.130 1.00 0.00 N ATOM 264 CA VAL A 398 12.990 0.651 1.271 1.00 0.00 C ATOM 265 C VAL A 398 14.512 0.599 1.300 1.00 0.00 C ATOM 266 O VAL A 398 15.104 -0.475 1.416 1.00 0.00 O ATOM 267 CB VAL A 398 12.444 0.102 2.602 1.00 0.00 C ATOM 268 CG1 VAL A 398 12.793 1.039 3.750 1.00 0.00 C ATOM 269 CG2 VAL A 398 10.940 -0.113 2.515 1.00 0.00 C ATOM 0 H VAL A 398 12.682 -1.086 0.138 1.00 0.00 H new ATOM 0 HA VAL A 398 12.663 1.684 1.155 1.00 0.00 H new ATOM 0 HB VAL A 398 12.914 -0.862 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.399 0.635 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 398 13.876 1.135 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.354 2.020 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.572 -0.501 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.449 0.835 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.720 -0.827 1.722 1.00 0.00 H new ATOM 279 N ALA A 399 15.142 1.764 1.195 1.00 0.00 N ATOM 280 CA ALA A 399 16.598 1.850 1.208 1.00 0.00 C ATOM 281 C ALA A 399 17.214 0.984 0.110 1.00 0.00 C ATOM 282 O ALA A 399 18.378 0.591 0.199 1.00 0.00 O ATOM 283 CB ALA A 399 17.137 1.439 2.569 1.00 0.00 C ATOM 0 H ALA A 399 14.667 2.662 1.100 1.00 0.00 H new ATOM 0 HA ALA A 399 16.876 2.886 1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.225 1.508 2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.734 2.102 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.839 0.413 2.784 1.00 0.00 H new ATOM 289 N GLY A 400 16.429 0.693 -0.923 1.00 0.00 N ATOM 290 CA GLY A 400 16.921 -0.121 -2.019 1.00 0.00 C ATOM 291 C GLY A 400 16.542 -1.586 -1.884 1.00 0.00 C ATOM 292 O GLY A 400 16.658 -2.351 -2.840 1.00 0.00 O ATOM 0 H GLY A 400 15.463 1.006 -1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 400 16.526 0.266 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 400 18.006 -0.035 -2.070 1.00 0.00 H new ATOM 296 N ARG A 401 16.090 -1.978 -0.695 1.00 0.00 N ATOM 297 CA ARG A 401 15.699 -3.362 -0.449 1.00 0.00 C ATOM 298 C ARG A 401 14.181 -3.520 -0.503 1.00 0.00 C ATOM 299 O ARG A 401 13.439 -2.605 -0.145 1.00 0.00 O ATOM 300 CB ARG A 401 16.224 -3.827 0.912 1.00 0.00 C ATOM 301 CG ARG A 401 17.576 -4.519 0.837 1.00 0.00 C ATOM 302 CD ARG A 401 18.253 -4.565 2.196 1.00 0.00 C ATOM 303 NE ARG A 401 18.511 -3.228 2.727 1.00 0.00 N ATOM 304 CZ ARG A 401 19.030 -2.996 3.931 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.346 -4.006 4.731 1.00 0.00 N ATOM 306 NH2 ARG A 401 19.233 -1.750 4.334 1.00 0.00 N ATOM 0 H ARG A 401 15.986 -1.359 0.109 1.00 0.00 H new ATOM 0 HA ARG A 401 16.137 -3.981 -1.232 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.302 -2.966 1.576 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.500 -4.509 1.358 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.447 -5.533 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.216 -3.994 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.625 -5.117 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 401 19.194 -5.110 2.114 1.00 0.00 H new ATOM 0 HE ARG A 401 18.280 -2.426 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.192 -4.967 4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 401 19.743 -3.822 5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.992 -0.970 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.630 -1.571 5.256 1.00 0.00 H new ATOM 320 N PRO A 402 13.697 -4.692 -0.953 1.00 0.00 N ATOM 321 CA PRO A 402 12.261 -4.969 -1.053 1.00 0.00 C ATOM 322 C PRO A 402 11.626 -5.241 0.307 1.00 0.00 C ATOM 323 O PRO A 402 12.181 -5.970 1.129 1.00 0.00 O ATOM 324 CB PRO A 402 12.209 -6.223 -1.925 1.00 0.00 C ATOM 325 CG PRO A 402 13.498 -6.920 -1.656 1.00 0.00 C ATOM 326 CD PRO A 402 14.513 -5.838 -1.401 1.00 0.00 C ATOM 0 HA PRO A 402 11.708 -4.123 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.357 -6.851 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 402 12.108 -5.969 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.410 -7.583 -0.795 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.792 -7.537 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.235 -6.137 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 402 15.079 -5.599 -2.302 1.00 0.00 H new ATOM 334 N PHE A 403 10.459 -4.649 0.534 1.00 0.00 N ATOM 335 CA PHE A 403 9.742 -4.825 1.792 1.00 0.00 C ATOM 336 C PHE A 403 8.235 -4.786 1.564 1.00 0.00 C ATOM 337 O PHE A 403 7.772 -4.415 0.487 1.00 0.00 O ATOM 338 CB PHE A 403 10.148 -3.742 2.792 1.00 0.00 C ATOM 339 CG PHE A 403 11.529 -3.929 3.351 1.00 0.00 C ATOM 340 CD1 PHE A 403 11.735 -4.709 4.478 1.00 0.00 C ATOM 341 CD2 PHE A 403 12.622 -3.325 2.750 1.00 0.00 C ATOM 342 CE1 PHE A 403 13.005 -4.884 4.995 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.895 -3.496 3.262 1.00 0.00 C ATOM 344 CZ PHE A 403 14.085 -4.277 4.385 1.00 0.00 C ATOM 0 H PHE A 403 9.989 -4.042 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 403 10.006 -5.800 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.091 -2.769 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.431 -3.730 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 403 10.893 -5.186 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 403 12.478 -2.714 1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 403 13.152 -5.494 5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 403 14.739 -3.020 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.078 -4.413 4.786 1.00 0.00 H new ATOM 354 N SER A 404 7.475 -5.169 2.582 1.00 0.00 N ATOM 355 CA SER A 404 6.021 -5.170 2.487 1.00 0.00 C ATOM 356 C SER A 404 5.454 -3.818 2.901 1.00 0.00 C ATOM 357 O SER A 404 5.893 -3.229 3.889 1.00 0.00 O ATOM 358 CB SER A 404 5.431 -6.276 3.364 1.00 0.00 C ATOM 359 OG SER A 404 5.895 -7.552 2.958 1.00 0.00 O ATOM 0 H SER A 404 7.840 -5.482 3.481 1.00 0.00 H new ATOM 0 HA SER A 404 5.747 -5.358 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 404 5.702 -6.102 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 404 4.343 -6.247 3.308 1.00 0.00 H new ATOM 0 HG SER A 404 5.505 -8.241 3.535 1.00 0.00 H new ATOM 365 N TYR A 405 4.480 -3.327 2.141 1.00 0.00 N ATOM 366 CA TYR A 405 3.860 -2.040 2.431 1.00 0.00 C ATOM 367 C TYR A 405 3.356 -1.988 3.871 1.00 0.00 C ATOM 368 O TYR A 405 3.512 -0.979 4.558 1.00 0.00 O ATOM 369 CB TYR A 405 2.704 -1.776 1.465 1.00 0.00 C ATOM 370 CG TYR A 405 2.154 -0.370 1.551 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.944 0.725 1.227 1.00 0.00 C ATOM 372 CD2 TYR A 405 0.846 -0.139 1.958 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.446 2.012 1.305 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.340 1.144 2.039 1.00 0.00 C ATOM 375 CZ TYR A 405 1.144 2.216 1.712 1.00 0.00 C ATOM 376 OH TYR A 405 0.644 3.496 1.790 1.00 0.00 O ATOM 0 H TYR A 405 4.104 -3.801 1.320 1.00 0.00 H new ATOM 0 HA TYR A 405 4.616 -1.266 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.043 -1.963 0.446 1.00 0.00 H new ATOM 0 HB3 TYR A 405 1.901 -2.485 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.964 0.569 0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.214 -0.976 2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 405 3.073 2.853 1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.679 1.307 2.357 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.288 3.465 2.092 1.00 0.00 H new ATOM 386 N SER A 406 2.754 -3.084 4.321 1.00 0.00 N ATOM 387 CA SER A 406 2.232 -3.165 5.678 1.00 0.00 C ATOM 388 C SER A 406 3.368 -3.162 6.697 1.00 0.00 C ATOM 389 O SER A 406 3.230 -2.623 7.796 1.00 0.00 O ATOM 390 CB SER A 406 1.383 -4.426 5.848 1.00 0.00 C ATOM 391 OG SER A 406 0.345 -4.475 4.884 1.00 0.00 O ATOM 0 H SER A 406 2.616 -3.928 3.765 1.00 0.00 H new ATOM 0 HA SER A 406 1.607 -2.290 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.015 -5.309 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 406 0.955 -4.448 6.850 1.00 0.00 H new ATOM 0 HG SER A 406 -0.182 -5.291 5.012 1.00 0.00 H new ATOM 397 N GLU A 407 4.490 -3.770 6.326 1.00 0.00 N ATOM 398 CA GLU A 407 5.650 -3.840 7.207 1.00 0.00 C ATOM 399 C GLU A 407 6.255 -2.459 7.426 1.00 0.00 C ATOM 400 O GLU A 407 6.811 -2.172 8.487 1.00 0.00 O ATOM 401 CB GLU A 407 6.704 -4.786 6.628 1.00 0.00 C ATOM 402 CG GLU A 407 7.900 -4.996 7.540 1.00 0.00 C ATOM 403 CD GLU A 407 7.548 -5.772 8.795 1.00 0.00 C ATOM 404 OE1 GLU A 407 6.558 -6.534 8.763 1.00 0.00 O ATOM 405 OE2 GLU A 407 8.261 -5.620 9.808 1.00 0.00 O ATOM 0 H GLU A 407 4.621 -4.222 5.421 1.00 0.00 H new ATOM 0 HA GLU A 407 5.316 -4.226 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.240 -5.751 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.051 -4.390 5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 407 8.679 -5.529 6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.313 -4.027 7.820 1.00 0.00 H new ATOM 412 N VAL A 408 6.140 -1.610 6.417 1.00 0.00 N ATOM 413 CA VAL A 408 6.672 -0.253 6.492 1.00 0.00 C ATOM 414 C VAL A 408 5.895 0.579 7.508 1.00 0.00 C ATOM 415 O VAL A 408 6.482 1.323 8.294 1.00 0.00 O ATOM 416 CB VAL A 408 6.626 0.448 5.117 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.128 1.881 5.224 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.440 -0.327 4.092 1.00 0.00 C ATOM 0 H VAL A 408 5.682 -1.835 5.533 1.00 0.00 H new ATOM 0 HA VAL A 408 7.712 -0.333 6.810 1.00 0.00 H new ATOM 0 HB VAL A 408 5.588 0.474 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.087 2.355 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.500 2.435 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.157 1.880 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.395 0.184 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.477 -0.388 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 408 7.032 -1.333 3.989 1.00 0.00 H new ATOM 428 N SER A 409 4.572 0.450 7.485 1.00 0.00 N ATOM 429 CA SER A 409 3.717 1.191 8.404 1.00 0.00 C ATOM 430 C SER A 409 3.988 0.790 9.848 1.00 0.00 C ATOM 431 O SER A 409 3.828 1.591 10.769 1.00 0.00 O ATOM 432 CB SER A 409 2.243 0.959 8.065 1.00 0.00 C ATOM 433 OG SER A 409 1.861 -0.378 8.334 1.00 0.00 O ATOM 0 H SER A 409 4.070 -0.160 6.840 1.00 0.00 H new ATOM 0 HA SER A 409 3.945 2.251 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.622 1.641 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.069 1.185 7.013 1.00 0.00 H new ATOM 0 HG SER A 409 2.590 -0.983 8.083 1.00 0.00 H new ATOM 439 N GLN A 410 4.401 -0.455 10.036 1.00 0.00 N ATOM 440 CA GLN A 410 4.701 -0.970 11.367 1.00 0.00 C ATOM 441 C GLN A 410 6.022 -0.413 11.881 1.00 0.00 C ATOM 442 O GLN A 410 6.228 -0.282 13.088 1.00 0.00 O ATOM 443 CB GLN A 410 4.749 -2.499 11.349 1.00 0.00 C ATOM 444 CG GLN A 410 3.412 -3.146 11.026 1.00 0.00 C ATOM 445 CD GLN A 410 3.461 -4.659 11.110 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.429 -5.233 12.197 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.538 -5.313 9.957 1.00 0.00 N ATOM 0 H GLN A 410 4.537 -1.130 9.283 1.00 0.00 H new ATOM 0 HA GLN A 410 3.906 -0.648 12.040 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.487 -2.822 10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.090 -2.855 12.321 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.655 -2.772 11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.103 -2.851 10.023 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.562 -4.796 9.078 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.573 -6.332 9.950 1.00 0.00 H new ATOM 456 N ARG A 411 6.913 -0.088 10.955 1.00 0.00 N ATOM 457 CA ARG A 411 8.220 0.457 11.302 1.00 0.00 C ATOM 458 C ARG A 411 8.454 1.793 10.602 1.00 0.00 C ATOM 459 O ARG A 411 8.928 1.832 9.467 1.00 0.00 O ATOM 460 CB ARG A 411 9.321 -0.533 10.917 1.00 0.00 C ATOM 461 CG ARG A 411 9.391 -1.749 11.825 1.00 0.00 C ATOM 462 CD ARG A 411 10.497 -2.700 11.397 1.00 0.00 C ATOM 463 NE ARG A 411 11.163 -3.317 12.543 1.00 0.00 N ATOM 464 CZ ARG A 411 11.996 -2.669 13.353 1.00 0.00 C ATOM 465 NH1 ARG A 411 12.267 -1.386 13.150 1.00 0.00 N ATOM 466 NH2 ARG A 411 12.558 -3.305 14.372 1.00 0.00 N ATOM 0 H ARG A 411 6.754 -0.193 9.953 1.00 0.00 H new ATOM 0 HA ARG A 411 8.247 0.622 12.379 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.157 -0.865 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.282 -0.020 10.936 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.563 -1.428 12.852 1.00 0.00 H new ATOM 0 HG3 ARG A 411 8.434 -2.271 11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 411 10.079 -3.478 10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.230 -2.158 10.800 1.00 0.00 H new ATOM 0 HE ARG A 411 10.978 -4.302 12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.836 -0.891 12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 411 12.907 -0.895 13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 411 12.352 -4.291 14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 411 13.197 -2.809 14.993 1.00 0.00 H new ATOM 480 N PRO A 412 8.122 2.914 11.269 1.00 0.00 N ATOM 481 CA PRO A 412 8.300 4.253 10.696 1.00 0.00 C ATOM 482 C PRO A 412 9.762 4.569 10.400 1.00 0.00 C ATOM 483 O PRO A 412 10.064 5.419 9.562 1.00 0.00 O ATOM 484 CB PRO A 412 7.757 5.192 11.781 1.00 0.00 C ATOM 485 CG PRO A 412 7.785 4.391 13.038 1.00 0.00 C ATOM 486 CD PRO A 412 7.550 2.967 12.626 1.00 0.00 C ATOM 0 HA PRO A 412 7.788 4.352 9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.372 6.088 11.871 1.00 0.00 H new ATOM 0 HB3 PRO A 412 6.745 5.522 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 412 8.743 4.497 13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.016 4.728 13.733 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.043 2.266 13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 412 6.489 2.717 12.627 1.00 0.00 H new ATOM 494 N GLU A 413 10.667 3.882 11.089 1.00 0.00 N ATOM 495 CA GLU A 413 12.097 4.093 10.894 1.00 0.00 C ATOM 496 C GLU A 413 12.511 3.742 9.471 1.00 0.00 C ATOM 497 O GLU A 413 13.462 4.307 8.931 1.00 0.00 O ATOM 498 CB GLU A 413 12.901 3.260 11.893 1.00 0.00 C ATOM 499 CG GLU A 413 12.658 3.646 13.343 1.00 0.00 C ATOM 500 CD GLU A 413 13.065 5.075 13.641 1.00 0.00 C ATOM 501 OE1 GLU A 413 13.835 5.653 12.845 1.00 0.00 O ATOM 502 OE2 GLU A 413 12.616 5.617 14.673 1.00 0.00 O ATOM 0 H GLU A 413 10.436 3.175 11.787 1.00 0.00 H new ATOM 0 HA GLU A 413 12.307 5.149 11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 413 12.651 2.207 11.759 1.00 0.00 H new ATOM 0 HB3 GLU A 413 13.963 3.367 11.671 1.00 0.00 H new ATOM 0 HG2 GLU A 413 11.601 3.516 13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 413 13.214 2.971 13.993 1.00 0.00 H new ATOM 509 N LEU A 414 11.789 2.807 8.871 1.00 0.00 N ATOM 510 CA LEU A 414 12.075 2.377 7.508 1.00 0.00 C ATOM 511 C LEU A 414 11.806 3.505 6.519 1.00 0.00 C ATOM 512 O LEU A 414 12.519 3.659 5.528 1.00 0.00 O ATOM 513 CB LEU A 414 11.230 1.153 7.147 1.00 0.00 C ATOM 514 CG LEU A 414 11.266 0.014 8.170 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.526 -1.203 7.638 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.704 -0.346 8.519 1.00 0.00 C ATOM 0 H LEU A 414 10.999 2.330 9.306 1.00 0.00 H new ATOM 0 HA LEU A 414 13.130 2.108 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.196 1.471 7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.569 0.768 6.185 1.00 0.00 H new ATOM 0 HG LEU A 414 10.766 0.351 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.562 -2.003 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.487 -0.939 7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.998 -1.541 6.715 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.710 -1.157 9.247 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.228 -0.664 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.205 0.525 8.942 1.00 0.00 H new ATOM 528 N VAL A 415 10.773 4.294 6.798 1.00 0.00 N ATOM 529 CA VAL A 415 10.413 5.411 5.936 1.00 0.00 C ATOM 530 C VAL A 415 11.535 6.442 5.888 1.00 0.00 C ATOM 531 O VAL A 415 11.788 7.051 4.848 1.00 0.00 O ATOM 532 CB VAL A 415 9.118 6.096 6.413 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.668 7.147 5.411 1.00 0.00 C ATOM 534 CG2 VAL A 415 8.024 5.064 6.644 1.00 0.00 C ATOM 0 H VAL A 415 10.172 4.179 7.614 1.00 0.00 H new ATOM 0 HA VAL A 415 10.249 5.005 4.938 1.00 0.00 H new ATOM 0 HB VAL A 415 9.320 6.596 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.752 7.619 5.766 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.447 7.902 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.482 6.674 4.447 1.00 0.00 H new ATOM 0 HG21 VAL A 415 7.116 5.565 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.822 4.534 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.349 4.353 7.404 1.00 0.00 H new ATOM 544 N ALA A 416 12.206 6.630 7.020 1.00 0.00 N ATOM 545 CA ALA A 416 13.304 7.585 7.104 1.00 0.00 C ATOM 546 C ALA A 416 14.461 7.165 6.206 1.00 0.00 C ATOM 547 O ALA A 416 15.212 8.003 5.707 1.00 0.00 O ATOM 548 CB ALA A 416 13.773 7.729 8.544 1.00 0.00 C ATOM 0 H ALA A 416 12.009 6.135 7.890 1.00 0.00 H new ATOM 0 HA ALA A 416 12.940 8.552 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.593 8.446 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.948 8.082 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 416 14.115 6.762 8.914 1.00 0.00 H new ATOM 554 N GLN A 417 14.592 5.862 6.005 1.00 0.00 N ATOM 555 CA GLN A 417 15.651 5.318 5.163 1.00 0.00 C ATOM 556 C GLN A 417 15.277 5.405 3.686 1.00 0.00 C ATOM 557 O GLN A 417 16.141 5.343 2.811 1.00 0.00 O ATOM 558 CB GLN A 417 15.939 3.865 5.544 1.00 0.00 C ATOM 559 CG GLN A 417 16.469 3.700 6.958 1.00 0.00 C ATOM 560 CD GLN A 417 16.704 2.249 7.328 1.00 0.00 C ATOM 561 OE1 GLN A 417 16.209 1.339 6.663 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.463 2.025 8.395 1.00 0.00 N ATOM 0 H GLN A 417 13.977 5.159 6.414 1.00 0.00 H new ATOM 0 HA GLN A 417 16.549 5.914 5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 417 15.024 3.282 5.438 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.664 3.451 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.403 4.252 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.761 4.140 7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.853 2.810 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.656 1.068 8.692 1.00 0.00 H new ATOM 571 N MET A 418 13.983 5.547 3.415 1.00 0.00 N ATOM 572 CA MET A 418 13.492 5.641 2.045 1.00 0.00 C ATOM 573 C MET A 418 13.893 6.968 1.410 1.00 0.00 C ATOM 574 O MET A 418 13.586 8.037 1.937 1.00 0.00 O ATOM 575 CB MET A 418 11.970 5.498 2.018 1.00 0.00 C ATOM 576 CG MET A 418 11.495 4.059 1.913 1.00 0.00 C ATOM 577 SD MET A 418 9.788 3.932 1.346 1.00 0.00 S ATOM 578 CE MET A 418 9.046 3.034 2.707 1.00 0.00 C ATOM 0 H MET A 418 13.255 5.600 4.127 1.00 0.00 H new ATOM 0 HA MET A 418 13.942 4.831 1.471 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.556 5.943 2.923 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.575 6.064 1.174 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.144 3.515 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.587 3.578 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.466 2.197 2.318 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.829 2.657 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.390 3.700 3.268 1.00 0.00 H new ATOM 588 N THR A 419 14.570 6.894 0.268 1.00 0.00 N ATOM 589 CA THR A 419 14.998 8.093 -0.441 1.00 0.00 C ATOM 590 C THR A 419 13.781 8.894 -0.901 1.00 0.00 C ATOM 591 O THR A 419 12.650 8.420 -0.799 1.00 0.00 O ATOM 592 CB THR A 419 15.870 7.722 -1.644 1.00 0.00 C ATOM 593 OG1 THR A 419 15.068 7.322 -2.741 1.00 0.00 O ATOM 594 CG2 THR A 419 16.847 6.602 -1.357 1.00 0.00 C ATOM 0 H THR A 419 14.833 6.018 -0.184 1.00 0.00 H new ATOM 0 HA THR A 419 15.589 8.706 0.240 1.00 0.00 H new ATOM 0 HB THR A 419 16.437 8.624 -1.876 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.643 7.000 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.432 6.391 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.515 6.900 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.299 5.707 -1.063 1.00 0.00 H new ATOM 602 N PRO A 420 13.988 10.120 -1.409 1.00 0.00 N ATOM 603 CA PRO A 420 12.885 10.968 -1.873 1.00 0.00 C ATOM 604 C PRO A 420 12.013 10.262 -2.903 1.00 0.00 C ATOM 605 O PRO A 420 10.804 10.129 -2.715 1.00 0.00 O ATOM 606 CB PRO A 420 13.595 12.173 -2.496 1.00 0.00 C ATOM 607 CG PRO A 420 14.930 12.211 -1.837 1.00 0.00 C ATOM 608 CD PRO A 420 15.297 10.777 -1.568 1.00 0.00 C ATOM 0 HA PRO A 420 12.206 11.237 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.690 12.061 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.040 13.094 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.669 12.690 -2.479 1.00 0.00 H new ATOM 0 HG3 PRO A 420 14.893 12.785 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 420 15.867 10.346 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.909 10.679 -0.671 1.00 0.00 H new ATOM 616 N GLU A 421 12.630 9.798 -3.984 1.00 0.00 N ATOM 617 CA GLU A 421 11.896 9.092 -5.025 1.00 0.00 C ATOM 618 C GLU A 421 11.255 7.839 -4.446 1.00 0.00 C ATOM 619 O GLU A 421 10.116 7.502 -4.769 1.00 0.00 O ATOM 620 CB GLU A 421 12.827 8.722 -6.182 1.00 0.00 C ATOM 621 CG GLU A 421 13.408 9.928 -6.905 1.00 0.00 C ATOM 622 CD GLU A 421 14.278 9.538 -8.085 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.615 8.342 -8.206 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.621 10.431 -8.888 1.00 0.00 O ATOM 0 H GLU A 421 13.630 9.897 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 421 11.115 9.748 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.644 8.110 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.278 8.109 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.595 10.565 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 421 13.997 10.518 -6.203 1.00 0.00 H new ATOM 631 N GLU A 422 11.994 7.163 -3.573 1.00 0.00 N ATOM 632 CA GLU A 422 11.498 5.956 -2.928 1.00 0.00 C ATOM 633 C GLU A 422 10.320 6.289 -2.022 1.00 0.00 C ATOM 634 O GLU A 422 9.393 5.492 -1.875 1.00 0.00 O ATOM 635 CB GLU A 422 12.611 5.287 -2.120 1.00 0.00 C ATOM 636 CG GLU A 422 13.711 4.685 -2.978 1.00 0.00 C ATOM 637 CD GLU A 422 13.201 3.595 -3.900 1.00 0.00 C ATOM 638 OE1 GLU A 422 12.085 3.089 -3.661 1.00 0.00 O ATOM 639 OE2 GLU A 422 13.918 3.246 -4.861 1.00 0.00 O ATOM 0 H GLU A 422 12.938 7.432 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 422 11.163 5.263 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 422 13.050 6.022 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 422 12.177 4.503 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 422 14.174 5.472 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 422 14.487 4.275 -2.332 1.00 0.00 H new ATOM 646 N LYS A 423 10.357 7.477 -1.423 1.00 0.00 N ATOM 647 CA LYS A 423 9.284 7.916 -0.541 1.00 0.00 C ATOM 648 C LYS A 423 7.992 8.087 -1.328 1.00 0.00 C ATOM 649 O LYS A 423 6.905 7.789 -0.833 1.00 0.00 O ATOM 650 CB LYS A 423 9.661 9.229 0.145 1.00 0.00 C ATOM 651 CG LYS A 423 8.691 9.644 1.239 1.00 0.00 C ATOM 652 CD LYS A 423 9.111 10.951 1.891 1.00 0.00 C ATOM 653 CE LYS A 423 8.274 11.252 3.123 1.00 0.00 C ATOM 654 NZ LYS A 423 6.940 11.811 2.767 1.00 0.00 N ATOM 0 H LYS A 423 11.116 8.149 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 423 9.131 7.155 0.224 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.659 9.132 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.711 10.019 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 423 7.691 9.751 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 423 8.637 8.860 1.995 1.00 0.00 H new ATOM 0 HD2 LYS A 423 10.164 10.899 2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.011 11.766 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 423 8.142 10.339 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 423 8.806 11.960 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 6.767 12.675 3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 6.918 12.038 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 6.202 11.110 2.980 1.00 0.00 H new ATOM 668 N GLU A 424 8.122 8.565 -2.562 1.00 0.00 N ATOM 669 CA GLU A 424 6.967 8.771 -3.426 1.00 0.00 C ATOM 670 C GLU A 424 6.302 7.441 -3.758 1.00 0.00 C ATOM 671 O GLU A 424 5.081 7.313 -3.681 1.00 0.00 O ATOM 672 CB GLU A 424 7.389 9.485 -4.712 1.00 0.00 C ATOM 673 CG GLU A 424 7.454 10.998 -4.574 1.00 0.00 C ATOM 674 CD GLU A 424 7.802 11.689 -5.877 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.976 11.605 -6.298 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.903 12.312 -6.478 1.00 0.00 O ATOM 0 H GLU A 424 9.016 8.816 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 424 6.247 9.395 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.367 9.114 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.687 9.231 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.493 11.368 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.196 11.259 -3.820 1.00 0.00 H new ATOM 683 N ALA A 425 7.111 6.448 -4.118 1.00 0.00 N ATOM 684 CA ALA A 425 6.593 5.126 -4.448 1.00 0.00 C ATOM 685 C ALA A 425 5.789 4.559 -3.286 1.00 0.00 C ATOM 686 O ALA A 425 4.840 3.800 -3.479 1.00 0.00 O ATOM 687 CB ALA A 425 7.730 4.186 -4.820 1.00 0.00 C ATOM 0 H ALA A 425 8.125 6.534 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 425 5.930 5.222 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.325 3.204 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.263 4.583 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.418 4.097 -3.979 1.00 0.00 H new ATOM 693 N TYR A 426 6.173 4.952 -2.081 1.00 0.00 N ATOM 694 CA TYR A 426 5.493 4.509 -0.871 1.00 0.00 C ATOM 695 C TYR A 426 4.105 5.122 -0.796 1.00 0.00 C ATOM 696 O TYR A 426 3.115 4.437 -0.537 1.00 0.00 O ATOM 697 CB TYR A 426 6.292 4.930 0.361 1.00 0.00 C ATOM 698 CG TYR A 426 5.705 4.441 1.664 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.545 3.084 1.914 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.312 5.341 2.647 1.00 0.00 C ATOM 701 CE1 TYR A 426 5.008 2.638 3.108 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.776 4.904 3.842 1.00 0.00 C ATOM 703 CZ TYR A 426 4.626 3.551 4.068 1.00 0.00 C ATOM 704 OH TYR A 426 4.091 3.112 5.257 1.00 0.00 O ATOM 0 H TYR A 426 6.958 5.582 -1.914 1.00 0.00 H new ATOM 0 HA TYR A 426 5.409 3.423 -0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.311 4.553 0.268 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.355 6.018 0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.844 2.366 1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.428 6.401 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.888 1.580 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.476 5.617 4.596 1.00 0.00 H new ATOM 0 HH TYR A 426 3.876 3.882 5.823 1.00 0.00 H new ATOM 714 N ILE A 427 4.056 6.427 -1.015 1.00 0.00 N ATOM 715 CA ILE A 427 2.813 7.174 -0.969 1.00 0.00 C ATOM 716 C ILE A 427 1.958 6.911 -2.206 1.00 0.00 C ATOM 717 O ILE A 427 0.729 6.905 -2.132 1.00 0.00 O ATOM 718 CB ILE A 427 3.101 8.683 -0.847 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.831 8.974 0.467 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.813 9.482 -0.931 1.00 0.00 C ATOM 721 CD1 ILE A 427 5.072 9.820 0.296 1.00 0.00 C ATOM 0 H ILE A 427 4.876 6.995 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 427 2.258 6.839 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 427 3.741 8.984 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.147 9.481 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.107 8.030 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 427 2.038 10.545 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.329 9.292 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.146 9.184 -0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 427 5.536 9.985 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 427 5.775 9.306 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 427 4.800 10.779 -0.144 1.00 0.00 H new ATOM 733 N ALA A 428 2.612 6.700 -3.340 1.00 0.00 N ATOM 734 CA ALA A 428 1.906 6.443 -4.589 1.00 0.00 C ATOM 735 C ALA A 428 1.063 5.176 -4.493 1.00 0.00 C ATOM 736 O ALA A 428 -0.087 5.150 -4.931 1.00 0.00 O ATOM 737 CB ALA A 428 2.893 6.338 -5.742 1.00 0.00 C ATOM 0 H ALA A 428 3.629 6.702 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 428 1.234 7.281 -4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.351 6.146 -6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.447 7.272 -5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.589 5.520 -5.552 1.00 0.00 H new ATOM 743 N MET A 429 1.641 4.127 -3.918 1.00 0.00 N ATOM 744 CA MET A 429 0.941 2.856 -3.765 1.00 0.00 C ATOM 745 C MET A 429 -0.282 3.012 -2.866 1.00 0.00 C ATOM 746 O MET A 429 -1.320 2.394 -3.101 1.00 0.00 O ATOM 747 CB MET A 429 1.880 1.796 -3.187 1.00 0.00 C ATOM 748 CG MET A 429 2.950 1.332 -4.163 1.00 0.00 C ATOM 749 SD MET A 429 3.895 -0.071 -3.541 1.00 0.00 S ATOM 750 CE MET A 429 4.579 0.621 -2.037 1.00 0.00 C ATOM 0 H MET A 429 2.592 4.131 -3.550 1.00 0.00 H new ATOM 0 HA MET A 429 0.607 2.535 -4.752 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.363 2.197 -2.296 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.291 0.935 -2.870 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.481 1.059 -5.108 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.629 2.159 -4.372 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.667 0.579 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.259 1.658 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.227 0.047 -1.180 1.00 0.00 H new