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 -111:sc= -3.27 (180deg=-5.09!) USER MOD Single : A 404 SER OG : rot -177:sc= -1.42 USER MOD Single : A 405 TYR OH : rot 180:sc= 0 USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 409 SER OG : rot -37:sc= 0.836 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 418 MET CE :methyl -153:sc= -2.04 (180deg=-3.38!) USER MOD Single : A 419 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 423 LYS NZ :NH3+ -134:sc= -0.494 (180deg=-2.2!) USER MOD Single : A 426 TYR OH : rot 180:sc= 0 USER MOD Single : A 429 MET CE :methyl -118:sc= -4.51! (180deg=-5.64!) USER MOD ----------------------------------------------------------------- ATOM 211 N ILE A 395 4.321 -4.868 -2.450 1.00 0.00 N ATOM 212 CA ILE A 395 5.700 -4.655 -2.032 1.00 0.00 C ATOM 213 C ILE A 395 6.087 -3.184 -2.144 1.00 0.00 C ATOM 214 O ILE A 395 5.592 -2.464 -3.012 1.00 0.00 O ATOM 215 CB ILE A 395 6.682 -5.499 -2.871 1.00 0.00 C ATOM 216 CG1 ILE A 395 6.278 -6.974 -2.836 1.00 0.00 C ATOM 217 CG2 ILE A 395 8.107 -5.323 -2.364 1.00 0.00 C ATOM 218 CD1 ILE A 395 6.399 -7.602 -1.465 1.00 0.00 C ATOM 0 HA ILE A 395 5.765 -4.968 -0.990 1.00 0.00 H new ATOM 0 HB ILE A 395 6.642 -5.153 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 395 5.248 -7.068 -3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 395 6.901 -7.530 -3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 395 8.785 -5.926 -2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 395 8.392 -4.273 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 395 8.165 -5.644 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 395 6.096 -8.648 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 395 7.433 -7.540 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 395 5.755 -7.071 -0.764 1.00 0.00 H new ATOM 230 N VAL A 396 6.978 -2.747 -1.263 1.00 0.00 N ATOM 231 CA VAL A 396 7.440 -1.366 -1.257 1.00 0.00 C ATOM 232 C VAL A 396 8.964 -1.306 -1.288 1.00 0.00 C ATOM 233 O VAL A 396 9.639 -2.113 -0.647 1.00 0.00 O ATOM 234 CB VAL A 396 6.926 -0.608 -0.014 1.00 0.00 C ATOM 235 CG1 VAL A 396 7.459 -1.241 1.262 1.00 0.00 C ATOM 236 CG2 VAL A 396 7.301 0.864 -0.088 1.00 0.00 C ATOM 0 H VAL A 396 7.396 -3.333 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 396 7.040 -0.887 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 396 5.838 -0.679 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 396 7.084 -0.691 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 396 7.127 -2.278 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 396 8.549 -1.209 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 396 6.929 1.379 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 396 8.386 0.961 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 396 6.857 1.308 -0.979 1.00 0.00 H new ATOM 246 N MET A 397 9.503 -0.351 -2.035 1.00 0.00 N ATOM 247 CA MET A 397 10.948 -0.197 -2.142 1.00 0.00 C ATOM 248 C MET A 397 11.493 0.627 -0.980 1.00 0.00 C ATOM 249 O MET A 397 11.203 1.817 -0.862 1.00 0.00 O ATOM 250 CB MET A 397 11.315 0.467 -3.470 1.00 0.00 C ATOM 251 CG MET A 397 10.985 -0.381 -4.687 1.00 0.00 C ATOM 252 SD MET A 397 12.260 -1.603 -5.048 1.00 0.00 S ATOM 253 CE MET A 397 11.741 -2.956 -3.995 1.00 0.00 C ATOM 0 H MET A 397 8.964 0.326 -2.574 1.00 0.00 H new ATOM 0 HA MET A 397 11.398 -1.189 -2.104 1.00 0.00 H new ATOM 0 HB2 MET A 397 10.790 1.419 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 397 12.382 0.691 -3.472 1.00 0.00 H new ATOM 0 HG2 MET A 397 10.035 -0.890 -4.524 1.00 0.00 H new ATOM 0 HG3 MET A 397 10.854 0.268 -5.553 1.00 0.00 H new ATOM 0 HE1 MET A 397 12.458 -3.082 -3.184 1.00 0.00 H new ATOM 0 HE2 MET A 397 10.758 -2.737 -3.579 1.00 0.00 H new ATOM 0 HE3 MET A 397 11.691 -3.874 -4.580 1.00 0.00 H new ATOM 263 N VAL A 398 12.286 -0.014 -0.128 1.00 0.00 N ATOM 264 CA VAL A 398 12.876 0.659 1.022 1.00 0.00 C ATOM 265 C VAL A 398 14.386 0.788 0.858 1.00 0.00 C ATOM 266 O VAL A 398 15.115 -0.200 0.943 1.00 0.00 O ATOM 267 CB VAL A 398 12.578 -0.094 2.332 1.00 0.00 C ATOM 268 CG1 VAL A 398 13.075 0.699 3.532 1.00 0.00 C ATOM 269 CG2 VAL A 398 11.090 -0.382 2.454 1.00 0.00 C ATOM 0 H VAL A 398 12.535 -1.000 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 398 12.427 1.651 1.075 1.00 0.00 H new ATOM 0 HB VAL A 398 13.110 -1.045 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 398 12.855 0.150 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 398 14.151 0.849 3.449 1.00 0.00 H new ATOM 0 HG13 VAL A 398 12.575 1.667 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 398 10.898 -0.915 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 398 10.536 0.557 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 398 10.768 -0.995 1.612 1.00 0.00 H new ATOM 279 N ALA A 399 14.850 2.009 0.620 1.00 0.00 N ATOM 280 CA ALA A 399 16.275 2.263 0.442 1.00 0.00 C ATOM 281 C ALA A 399 16.851 1.416 -0.690 1.00 0.00 C ATOM 282 O ALA A 399 18.055 1.168 -0.740 1.00 0.00 O ATOM 283 CB ALA A 399 17.023 1.992 1.738 1.00 0.00 C ATOM 0 H ALA A 399 14.261 2.838 0.546 1.00 0.00 H new ATOM 0 HA ALA A 399 16.400 3.312 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 399 18.086 2.185 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 399 16.640 2.645 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 399 16.880 0.952 2.030 1.00 0.00 H new ATOM 289 N GLY A 400 15.985 0.977 -1.600 1.00 0.00 N ATOM 290 CA GLY A 400 16.432 0.166 -2.718 1.00 0.00 C ATOM 291 C GLY A 400 16.098 -1.306 -2.552 1.00 0.00 C ATOM 292 O GLY A 400 16.114 -2.062 -3.523 1.00 0.00 O ATOM 0 H GLY A 400 14.983 1.168 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 400 15.973 0.536 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 400 17.510 0.278 -2.833 1.00 0.00 H new ATOM 296 N ARG A 401 15.795 -1.716 -1.323 1.00 0.00 N ATOM 297 CA ARG A 401 15.461 -3.109 -1.046 1.00 0.00 C ATOM 298 C ARG A 401 13.948 -3.300 -0.939 1.00 0.00 C ATOM 299 O ARG A 401 13.235 -2.414 -0.469 1.00 0.00 O ATOM 300 CB ARG A 401 16.137 -3.569 0.247 1.00 0.00 C ATOM 301 CG ARG A 401 17.562 -4.057 0.047 1.00 0.00 C ATOM 302 CD ARG A 401 18.145 -4.616 1.335 1.00 0.00 C ATOM 303 NE ARG A 401 18.138 -3.631 2.413 1.00 0.00 N ATOM 304 CZ ARG A 401 18.961 -2.587 2.468 1.00 0.00 C ATOM 305 NH1 ARG A 401 19.856 -2.388 1.509 1.00 0.00 N ATOM 306 NH2 ARG A 401 18.889 -1.738 3.484 1.00 0.00 N ATOM 0 H ARG A 401 15.774 -1.105 -0.506 1.00 0.00 H new ATOM 0 HA ARG A 401 15.826 -3.714 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 401 16.141 -2.744 0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 401 15.546 -4.370 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 401 17.579 -4.826 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 401 18.183 -3.235 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 401 17.573 -5.492 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 401 19.167 -4.949 1.155 1.00 0.00 H new ATOM 0 HE ARG A 401 17.463 -3.750 3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 401 19.916 -3.037 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 401 20.484 -1.586 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 401 18.202 -1.885 4.224 1.00 0.00 H new ATOM 0 HH22 ARG A 401 19.520 -0.938 3.526 1.00 0.00 H new ATOM 320 N PRO A 402 13.439 -4.466 -1.376 1.00 0.00 N ATOM 321 CA PRO A 402 12.005 -4.771 -1.328 1.00 0.00 C ATOM 322 C PRO A 402 11.524 -5.094 0.083 1.00 0.00 C ATOM 323 O PRO A 402 12.174 -5.836 0.818 1.00 0.00 O ATOM 324 CB PRO A 402 11.880 -5.999 -2.228 1.00 0.00 C ATOM 325 CG PRO A 402 13.203 -6.675 -2.124 1.00 0.00 C ATOM 326 CD PRO A 402 14.220 -5.578 -1.952 1.00 0.00 C ATOM 0 HA PRO A 402 11.397 -3.924 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 402 11.073 -6.653 -1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 402 11.659 -5.716 -3.257 1.00 0.00 H new ATOM 0 HG2 PRO A 402 13.224 -7.362 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 402 13.411 -7.263 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 402 15.031 -5.883 -1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 402 14.673 -5.299 -2.903 1.00 0.00 H new ATOM 334 N PHE A 403 10.378 -4.532 0.452 1.00 0.00 N ATOM 335 CA PHE A 403 9.801 -4.758 1.772 1.00 0.00 C ATOM 336 C PHE A 403 8.278 -4.712 1.711 1.00 0.00 C ATOM 337 O PHE A 403 7.703 -4.140 0.787 1.00 0.00 O ATOM 338 CB PHE A 403 10.313 -3.714 2.764 1.00 0.00 C ATOM 339 CG PHE A 403 11.712 -3.978 3.246 1.00 0.00 C ATOM 340 CD1 PHE A 403 12.804 -3.505 2.537 1.00 0.00 C ATOM 341 CD2 PHE A 403 11.934 -4.700 4.408 1.00 0.00 C ATOM 342 CE1 PHE A 403 14.090 -3.745 2.978 1.00 0.00 C ATOM 343 CE2 PHE A 403 13.218 -4.944 4.854 1.00 0.00 C ATOM 344 CZ PHE A 403 14.298 -4.466 4.138 1.00 0.00 C ATOM 0 H PHE A 403 9.829 -3.915 -0.147 1.00 0.00 H new ATOM 0 HA PHE A 403 10.107 -5.748 2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 403 10.279 -2.731 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 403 9.642 -3.681 3.622 1.00 0.00 H new ATOM 0 HD1 PHE A 403 12.648 -2.942 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 403 11.093 -5.076 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 403 14.933 -3.369 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 403 13.377 -5.508 5.761 1.00 0.00 H new ATOM 0 HZ PHE A 403 15.303 -4.655 4.484 1.00 0.00 H new ATOM 354 N SER A 404 7.629 -5.315 2.701 1.00 0.00 N ATOM 355 CA SER A 404 6.173 -5.333 2.752 1.00 0.00 C ATOM 356 C SER A 404 5.635 -3.987 3.224 1.00 0.00 C ATOM 357 O SER A 404 6.174 -3.385 4.152 1.00 0.00 O ATOM 358 CB SER A 404 5.686 -6.447 3.681 1.00 0.00 C ATOM 359 OG SER A 404 5.744 -6.042 5.038 1.00 0.00 O ATOM 0 H SER A 404 8.086 -5.796 3.476 1.00 0.00 H new ATOM 0 HA SER A 404 5.799 -5.524 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 404 4.662 -6.718 3.423 1.00 0.00 H new ATOM 0 HB3 SER A 404 6.298 -7.338 3.538 1.00 0.00 H new ATOM 0 HG SER A 404 5.472 -6.787 5.614 1.00 0.00 H new ATOM 365 N TYR A 405 4.572 -3.518 2.578 1.00 0.00 N ATOM 366 CA TYR A 405 3.966 -2.240 2.933 1.00 0.00 C ATOM 367 C TYR A 405 3.539 -2.227 4.397 1.00 0.00 C ATOM 368 O TYR A 405 3.709 -1.227 5.095 1.00 0.00 O ATOM 369 CB TYR A 405 2.762 -1.955 2.034 1.00 0.00 C ATOM 370 CG TYR A 405 2.221 -0.550 2.176 1.00 0.00 C ATOM 371 CD1 TYR A 405 2.858 0.523 1.565 1.00 0.00 C ATOM 372 CD2 TYR A 405 1.075 -0.297 2.919 1.00 0.00 C ATOM 373 CE1 TYR A 405 2.368 1.809 1.693 1.00 0.00 C ATOM 374 CE2 TYR A 405 0.578 0.986 3.050 1.00 0.00 C ATOM 375 CZ TYR A 405 1.229 2.035 2.435 1.00 0.00 C ATOM 376 OH TYR A 405 0.737 3.314 2.564 1.00 0.00 O ATOM 0 H TYR A 405 4.113 -4.003 1.807 1.00 0.00 H new ATOM 0 HA TYR A 405 4.712 -1.459 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 405 3.047 -2.123 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 405 1.969 -2.666 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 405 3.750 0.350 0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 405 0.564 -1.116 3.402 1.00 0.00 H new ATOM 0 HE1 TYR A 405 2.875 2.633 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 405 -0.315 1.166 3.630 1.00 0.00 H new ATOM 0 HH TYR A 405 -0.071 3.299 3.118 1.00 0.00 H new ATOM 386 N SER A 406 2.984 -3.343 4.856 1.00 0.00 N ATOM 387 CA SER A 406 2.534 -3.460 6.238 1.00 0.00 C ATOM 388 C SER A 406 3.707 -3.341 7.205 1.00 0.00 C ATOM 389 O SER A 406 3.589 -2.728 8.267 1.00 0.00 O ATOM 390 CB SER A 406 1.815 -4.793 6.451 1.00 0.00 C ATOM 391 OG SER A 406 0.755 -4.955 5.526 1.00 0.00 O ATOM 0 H SER A 406 2.835 -4.179 4.292 1.00 0.00 H new ATOM 0 HA SER A 406 1.839 -2.644 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 406 2.524 -5.613 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 406 1.425 -4.841 7.468 1.00 0.00 H new ATOM 0 HG SER A 406 0.313 -5.816 5.682 1.00 0.00 H new ATOM 397 N GLU A 407 4.839 -3.931 6.833 1.00 0.00 N ATOM 398 CA GLU A 407 6.033 -3.892 7.669 1.00 0.00 C ATOM 399 C GLU A 407 6.573 -2.473 7.786 1.00 0.00 C ATOM 400 O GLU A 407 7.184 -2.109 8.792 1.00 0.00 O ATOM 401 CB GLU A 407 7.111 -4.818 7.104 1.00 0.00 C ATOM 402 CG GLU A 407 8.377 -4.862 7.943 1.00 0.00 C ATOM 403 CD GLU A 407 8.164 -5.547 9.281 1.00 0.00 C ATOM 404 OE1 GLU A 407 7.233 -6.372 9.383 1.00 0.00 O ATOM 405 OE2 GLU A 407 8.931 -5.258 10.223 1.00 0.00 O ATOM 0 H GLU A 407 4.954 -4.442 5.958 1.00 0.00 H new ATOM 0 HA GLU A 407 5.756 -4.237 8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 407 6.705 -5.826 7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 407 7.365 -4.493 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 407 9.157 -5.386 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 407 8.733 -3.846 8.111 1.00 0.00 H new ATOM 412 N VAL A 408 6.344 -1.676 6.752 1.00 0.00 N ATOM 413 CA VAL A 408 6.806 -0.294 6.734 1.00 0.00 C ATOM 414 C VAL A 408 6.065 0.543 7.773 1.00 0.00 C ATOM 415 O VAL A 408 6.677 1.297 8.529 1.00 0.00 O ATOM 416 CB VAL A 408 6.619 0.344 5.343 1.00 0.00 C ATOM 417 CG1 VAL A 408 7.149 1.772 5.329 1.00 0.00 C ATOM 418 CG2 VAL A 408 7.301 -0.496 4.270 1.00 0.00 C ATOM 0 H VAL A 408 5.840 -1.963 5.913 1.00 0.00 H new ATOM 0 HA VAL A 408 7.869 -0.310 6.975 1.00 0.00 H new ATOM 0 HB VAL A 408 5.552 0.376 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 408 7.007 2.203 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 408 6.609 2.368 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 408 8.211 1.768 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 408 7.157 -0.029 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 408 8.367 -0.565 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 408 6.867 -1.496 4.260 1.00 0.00 H new ATOM 428 N SER A 409 4.743 0.404 7.803 1.00 0.00 N ATOM 429 CA SER A 409 3.920 1.147 8.750 1.00 0.00 C ATOM 430 C SER A 409 4.238 0.744 10.184 1.00 0.00 C ATOM 431 O SER A 409 4.100 1.542 11.112 1.00 0.00 O ATOM 432 CB SER A 409 2.435 0.919 8.458 1.00 0.00 C ATOM 433 OG SER A 409 2.060 -0.418 8.740 1.00 0.00 O ATOM 0 H SER A 409 4.220 -0.215 7.184 1.00 0.00 H new ATOM 0 HA SER A 409 4.146 2.207 8.634 1.00 0.00 H new ATOM 0 HB2 SER A 409 1.834 1.603 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 409 2.228 1.145 7.412 1.00 0.00 H new ATOM 0 HG SER A 409 2.789 -1.022 8.487 1.00 0.00 H new ATOM 439 N GLN A 410 4.664 -0.500 10.356 1.00 0.00 N ATOM 440 CA GLN A 410 5.007 -1.018 11.676 1.00 0.00 C ATOM 441 C GLN A 410 6.358 -0.482 12.137 1.00 0.00 C ATOM 442 O GLN A 410 6.623 -0.383 13.335 1.00 0.00 O ATOM 443 CB GLN A 410 5.027 -2.547 11.659 1.00 0.00 C ATOM 444 CG GLN A 410 3.658 -3.171 11.449 1.00 0.00 C ATOM 445 CD GLN A 410 3.693 -4.687 11.513 1.00 0.00 C ATOM 446 OE1 GLN A 410 3.737 -5.273 12.594 1.00 0.00 O ATOM 447 NE2 GLN A 410 3.673 -5.327 10.350 1.00 0.00 N ATOM 0 H GLN A 410 4.781 -1.171 9.597 1.00 0.00 H new ATOM 0 HA GLN A 410 4.246 -0.682 12.380 1.00 0.00 H new ATOM 0 HB2 GLN A 410 5.696 -2.884 10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 410 5.441 -2.907 12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.971 -2.795 12.207 1.00 0.00 H new ATOM 0 HG3 GLN A 410 3.266 -2.861 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 410 3.636 -4.799 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 410 3.694 -6.347 10.329 1.00 0.00 H new ATOM 456 N ARG A 411 7.206 -0.139 11.178 1.00 0.00 N ATOM 457 CA ARG A 411 8.532 0.388 11.476 1.00 0.00 C ATOM 458 C ARG A 411 8.738 1.748 10.811 1.00 0.00 C ATOM 459 O ARG A 411 9.081 1.822 9.631 1.00 0.00 O ATOM 460 CB ARG A 411 9.608 -0.591 11.004 1.00 0.00 C ATOM 461 CG ARG A 411 9.741 -1.821 11.887 1.00 0.00 C ATOM 462 CD ARG A 411 11.184 -2.293 11.969 1.00 0.00 C ATOM 463 NE ARG A 411 11.311 -3.538 12.724 1.00 0.00 N ATOM 464 CZ ARG A 411 11.284 -3.605 14.052 1.00 0.00 C ATOM 465 NH1 ARG A 411 11.134 -2.504 14.778 1.00 0.00 N ATOM 466 NH2 ARG A 411 11.406 -4.778 14.659 1.00 0.00 N ATOM 0 H ARG A 411 6.999 -0.216 10.182 1.00 0.00 H new ATOM 0 HA ARG A 411 8.613 0.515 12.556 1.00 0.00 H new ATOM 0 HB2 ARG A 411 9.378 -0.908 9.987 1.00 0.00 H new ATOM 0 HB3 ARG A 411 10.567 -0.074 10.968 1.00 0.00 H new ATOM 0 HG2 ARG A 411 9.374 -1.593 12.888 1.00 0.00 H new ATOM 0 HG3 ARG A 411 9.116 -2.623 11.493 1.00 0.00 H new ATOM 0 HD2 ARG A 411 11.576 -2.438 10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 411 11.792 -1.520 12.439 1.00 0.00 H new ATOM 0 HE ARG A 411 11.427 -4.406 12.202 1.00 0.00 H new ATOM 0 HH11 ARG A 411 11.038 -1.599 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 411 11.114 -2.563 15.796 1.00 0.00 H new ATOM 0 HH21 ARG A 411 11.521 -5.628 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 411 11.385 -4.830 15.677 1.00 0.00 H new ATOM 480 N PRO A 412 8.531 2.848 11.558 1.00 0.00 N ATOM 481 CA PRO A 412 8.698 4.204 11.022 1.00 0.00 C ATOM 482 C PRO A 412 10.127 4.472 10.563 1.00 0.00 C ATOM 483 O PRO A 412 10.363 5.314 9.696 1.00 0.00 O ATOM 484 CB PRO A 412 8.333 5.114 12.202 1.00 0.00 C ATOM 485 CG PRO A 412 8.469 4.256 13.412 1.00 0.00 C ATOM 486 CD PRO A 412 8.122 2.863 12.973 1.00 0.00 C ATOM 0 HA PRO A 412 8.078 4.368 10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 412 8.997 5.977 12.254 1.00 0.00 H new ATOM 0 HB3 PRO A 412 7.318 5.498 12.104 1.00 0.00 H new ATOM 0 HG2 PRO A 412 9.483 4.299 13.809 1.00 0.00 H new ATOM 0 HG3 PRO A 412 7.802 4.592 14.206 1.00 0.00 H new ATOM 0 HD2 PRO A 412 8.656 2.112 13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 412 7.058 2.657 13.087 1.00 0.00 H new ATOM 494 N GLU A 413 11.078 3.751 11.148 1.00 0.00 N ATOM 495 CA GLU A 413 12.484 3.914 10.794 1.00 0.00 C ATOM 496 C GLU A 413 12.724 3.545 9.336 1.00 0.00 C ATOM 497 O GLU A 413 13.636 4.066 8.694 1.00 0.00 O ATOM 498 CB GLU A 413 13.364 3.054 11.704 1.00 0.00 C ATOM 499 CG GLU A 413 14.853 3.267 11.486 1.00 0.00 C ATOM 500 CD GLU A 413 15.320 4.634 11.946 1.00 0.00 C ATOM 501 OE1 GLU A 413 14.659 5.221 12.829 1.00 0.00 O ATOM 502 OE2 GLU A 413 16.346 5.118 11.424 1.00 0.00 O ATOM 0 H GLU A 413 10.902 3.050 11.868 1.00 0.00 H new ATOM 0 HA GLU A 413 12.748 4.962 10.931 1.00 0.00 H new ATOM 0 HB2 GLU A 413 13.122 3.274 12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 413 13.127 2.003 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 413 15.409 2.498 12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 413 15.082 3.146 10.427 1.00 0.00 H new ATOM 509 N LEU A 414 11.899 2.644 8.820 1.00 0.00 N ATOM 510 CA LEU A 414 12.016 2.203 7.436 1.00 0.00 C ATOM 511 C LEU A 414 11.704 3.344 6.475 1.00 0.00 C ATOM 512 O LEU A 414 12.367 3.507 5.451 1.00 0.00 O ATOM 513 CB LEU A 414 11.073 1.027 7.170 1.00 0.00 C ATOM 514 CG LEU A 414 11.311 -0.206 8.042 1.00 0.00 C ATOM 515 CD1 LEU A 414 10.387 -1.340 7.625 1.00 0.00 C ATOM 516 CD2 LEU A 414 12.766 -0.644 7.961 1.00 0.00 C ATOM 0 H LEU A 414 11.140 2.203 9.340 1.00 0.00 H new ATOM 0 HA LEU A 414 13.044 1.880 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 414 10.047 1.364 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 414 11.166 0.736 6.124 1.00 0.00 H new ATOM 0 HG LEU A 414 11.089 0.055 9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 414 10.570 -2.209 8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 414 9.350 -1.024 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 414 10.578 -1.601 6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 414 12.917 -1.523 8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 414 13.016 -0.888 6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 414 13.409 0.164 8.309 1.00 0.00 H new ATOM 528 N VAL A 415 10.691 4.135 6.814 1.00 0.00 N ATOM 529 CA VAL A 415 10.293 5.264 5.983 1.00 0.00 C ATOM 530 C VAL A 415 11.409 6.298 5.897 1.00 0.00 C ATOM 531 O VAL A 415 11.640 6.892 4.844 1.00 0.00 O ATOM 532 CB VAL A 415 9.019 5.940 6.526 1.00 0.00 C ATOM 533 CG1 VAL A 415 8.514 6.991 5.550 1.00 0.00 C ATOM 534 CG2 VAL A 415 7.944 4.902 6.810 1.00 0.00 C ATOM 0 H VAL A 415 10.131 4.014 7.658 1.00 0.00 H new ATOM 0 HA VAL A 415 10.088 4.870 4.988 1.00 0.00 H new ATOM 0 HB VAL A 415 9.265 6.439 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 415 7.614 7.457 5.951 1.00 0.00 H new ATOM 0 HG12 VAL A 415 9.282 7.751 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 415 8.284 6.520 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 415 7.052 5.398 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 415 7.698 4.372 5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 415 8.311 4.192 7.551 1.00 0.00 H new ATOM 544 N ALA A 416 12.102 6.506 7.013 1.00 0.00 N ATOM 545 CA ALA A 416 13.197 7.466 7.064 1.00 0.00 C ATOM 546 C ALA A 416 14.376 6.997 6.222 1.00 0.00 C ATOM 547 O ALA A 416 15.141 7.806 5.694 1.00 0.00 O ATOM 548 CB ALA A 416 13.630 7.699 8.504 1.00 0.00 C ATOM 0 H ALA A 416 11.924 6.022 7.893 1.00 0.00 H new ATOM 0 HA ALA A 416 12.841 8.409 6.649 1.00 0.00 H new ATOM 0 HB1 ALA A 416 14.449 8.418 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 416 12.789 8.088 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 416 13.963 6.757 8.941 1.00 0.00 H new ATOM 554 N GLN A 417 14.513 5.685 6.098 1.00 0.00 N ATOM 555 CA GLN A 417 15.596 5.095 5.317 1.00 0.00 C ATOM 556 C GLN A 417 15.286 5.143 3.823 1.00 0.00 C ATOM 557 O GLN A 417 16.184 5.025 2.991 1.00 0.00 O ATOM 558 CB GLN A 417 15.839 3.650 5.754 1.00 0.00 C ATOM 559 CG GLN A 417 16.388 3.525 7.166 1.00 0.00 C ATOM 560 CD GLN A 417 16.548 2.083 7.603 1.00 0.00 C ATOM 561 OE1 GLN A 417 15.989 1.171 6.994 1.00 0.00 O ATOM 562 NE2 GLN A 417 17.314 1.869 8.667 1.00 0.00 N ATOM 0 H GLN A 417 13.887 5.005 6.529 1.00 0.00 H new ATOM 0 HA GLN A 417 16.498 5.680 5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 417 14.902 3.097 5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 417 16.536 3.182 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 417 17.354 4.027 7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 417 15.721 4.039 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 417 17.759 2.655 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 417 17.458 0.919 9.009 1.00 0.00 H new ATOM 571 N MET A 418 14.011 5.314 3.492 1.00 0.00 N ATOM 572 CA MET A 418 13.584 5.375 2.099 1.00 0.00 C ATOM 573 C MET A 418 13.967 6.709 1.466 1.00 0.00 C ATOM 574 O MET A 418 13.674 7.772 2.012 1.00 0.00 O ATOM 575 CB MET A 418 12.072 5.173 1.998 1.00 0.00 C ATOM 576 CG MET A 418 11.603 3.811 2.482 1.00 0.00 C ATOM 577 SD MET A 418 10.219 3.175 1.519 1.00 0.00 S ATOM 578 CE MET A 418 9.154 2.563 2.820 1.00 0.00 C ATOM 0 H MET A 418 13.255 5.413 4.169 1.00 0.00 H new ATOM 0 HA MET A 418 14.092 4.576 1.558 1.00 0.00 H new ATOM 0 HB2 MET A 418 11.571 5.947 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 418 11.765 5.305 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 418 12.432 3.105 2.430 1.00 0.00 H new ATOM 0 HG3 MET A 418 11.310 3.882 3.530 1.00 0.00 H new ATOM 0 HE1 MET A 418 8.535 1.753 2.433 1.00 0.00 H new ATOM 0 HE2 MET A 418 9.763 2.192 3.644 1.00 0.00 H new ATOM 0 HE3 MET A 418 8.514 3.370 3.176 1.00 0.00 H new ATOM 588 N THR A 419 14.613 6.645 0.307 1.00 0.00 N ATOM 589 CA THR A 419 15.024 7.850 -0.405 1.00 0.00 C ATOM 590 C THR A 419 13.801 8.681 -0.785 1.00 0.00 C ATOM 591 O THR A 419 12.691 8.157 -0.861 1.00 0.00 O ATOM 592 CB THR A 419 15.820 7.482 -1.660 1.00 0.00 C ATOM 593 OG1 THR A 419 14.952 7.066 -2.699 1.00 0.00 O ATOM 594 CG2 THR A 419 16.823 6.373 -1.430 1.00 0.00 C ATOM 0 H THR A 419 14.863 5.773 -0.159 1.00 0.00 H new ATOM 0 HA THR A 419 15.661 8.441 0.252 1.00 0.00 H new ATOM 0 HB THR A 419 16.361 8.388 -1.934 1.00 0.00 H new ATOM 0 HG1 THR A 419 15.479 6.837 -3.493 1.00 0.00 H new ATOM 0 HG21 THR A 419 17.352 6.162 -2.359 1.00 0.00 H new ATOM 0 HG22 THR A 419 17.538 6.682 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 419 16.303 5.475 -1.097 1.00 0.00 H new ATOM 602 N PRO A 420 13.980 9.992 -1.029 1.00 0.00 N ATOM 603 CA PRO A 420 12.880 10.884 -1.400 1.00 0.00 C ATOM 604 C PRO A 420 11.981 10.277 -2.471 1.00 0.00 C ATOM 605 O PRO A 420 10.774 10.142 -2.274 1.00 0.00 O ATOM 606 CB PRO A 420 13.585 12.146 -1.928 1.00 0.00 C ATOM 607 CG PRO A 420 15.045 11.820 -1.959 1.00 0.00 C ATOM 608 CD PRO A 420 15.254 10.713 -0.967 1.00 0.00 C ATOM 0 HA PRO A 420 12.220 11.084 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 420 13.223 12.408 -2.922 1.00 0.00 H new ATOM 0 HB3 PRO A 420 13.390 13.001 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 420 15.352 11.510 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 420 15.643 12.693 -1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 420 16.095 10.076 -1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 420 15.456 11.096 0.033 1.00 0.00 H new ATOM 616 N GLU A 421 12.573 9.899 -3.599 1.00 0.00 N ATOM 617 CA GLU A 421 11.813 9.292 -4.684 1.00 0.00 C ATOM 618 C GLU A 421 11.151 8.010 -4.200 1.00 0.00 C ATOM 619 O GLU A 421 10.010 7.713 -4.555 1.00 0.00 O ATOM 620 CB GLU A 421 12.723 8.997 -5.878 1.00 0.00 C ATOM 621 CG GLU A 421 13.307 10.246 -6.520 1.00 0.00 C ATOM 622 CD GLU A 421 14.153 9.934 -7.740 1.00 0.00 C ATOM 623 OE1 GLU A 421 14.478 8.746 -7.950 1.00 0.00 O ATOM 624 OE2 GLU A 421 14.489 10.877 -8.485 1.00 0.00 O ATOM 0 H GLU A 421 13.571 10.002 -3.785 1.00 0.00 H new ATOM 0 HA GLU A 421 11.041 9.993 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 421 13.538 8.351 -5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 421 12.157 8.444 -6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 421 12.496 10.916 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 421 13.915 10.776 -5.787 1.00 0.00 H new ATOM 631 N GLU A 422 11.870 7.263 -3.370 1.00 0.00 N ATOM 632 CA GLU A 422 11.351 6.021 -2.817 1.00 0.00 C ATOM 633 C GLU A 422 10.177 6.309 -1.891 1.00 0.00 C ATOM 634 O GLU A 422 9.222 5.534 -1.822 1.00 0.00 O ATOM 635 CB GLU A 422 12.449 5.272 -2.059 1.00 0.00 C ATOM 636 CG GLU A 422 13.460 4.592 -2.967 1.00 0.00 C ATOM 637 CD GLU A 422 14.572 3.908 -2.196 1.00 0.00 C ATOM 638 OE1 GLU A 422 14.651 4.104 -0.965 1.00 0.00 O ATOM 639 OE2 GLU A 422 15.367 3.177 -2.825 1.00 0.00 O ATOM 0 H GLU A 422 12.815 7.498 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 422 11.007 5.393 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 422 12.972 5.972 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 422 11.988 4.522 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 422 12.948 3.856 -3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 422 13.892 5.332 -3.641 1.00 0.00 H new ATOM 646 N LYS A 423 10.247 7.438 -1.190 1.00 0.00 N ATOM 647 CA LYS A 423 9.181 7.834 -0.280 1.00 0.00 C ATOM 648 C LYS A 423 7.891 8.069 -1.055 1.00 0.00 C ATOM 649 O LYS A 423 6.799 7.759 -0.579 1.00 0.00 O ATOM 650 CB LYS A 423 9.573 9.099 0.483 1.00 0.00 C ATOM 651 CG LYS A 423 8.515 9.566 1.470 1.00 0.00 C ATOM 652 CD LYS A 423 8.466 8.672 2.698 1.00 0.00 C ATOM 653 CE LYS A 423 7.464 9.185 3.721 1.00 0.00 C ATOM 654 NZ LYS A 423 8.127 9.954 4.811 1.00 0.00 N ATOM 0 H LYS A 423 11.029 8.091 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 423 9.021 7.030 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 423 10.504 8.916 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 423 9.770 9.898 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 423 8.726 10.591 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 423 7.540 9.572 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 423 8.198 7.658 2.401 1.00 0.00 H new ATOM 0 HD3 LYS A 423 9.456 8.620 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 423 6.730 9.819 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 423 6.920 8.343 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 7.753 9.645 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 9.153 9.785 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 7.939 10.969 4.684 1.00 0.00 H new ATOM 668 N GLU A 424 8.029 8.612 -2.260 1.00 0.00 N ATOM 669 CA GLU A 424 6.880 8.884 -3.111 1.00 0.00 C ATOM 670 C GLU A 424 6.195 7.583 -3.514 1.00 0.00 C ATOM 671 O GLU A 424 4.970 7.486 -3.490 1.00 0.00 O ATOM 672 CB GLU A 424 7.314 9.660 -4.358 1.00 0.00 C ATOM 673 CG GLU A 424 7.375 11.164 -4.144 1.00 0.00 C ATOM 674 CD GLU A 424 7.753 11.917 -5.406 1.00 0.00 C ATOM 675 OE1 GLU A 424 8.929 11.829 -5.818 1.00 0.00 O ATOM 676 OE2 GLU A 424 6.874 12.592 -5.981 1.00 0.00 O ATOM 0 H GLU A 424 8.927 8.872 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 424 6.170 9.491 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 424 8.295 9.306 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 424 6.620 9.444 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 424 6.406 11.517 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 424 8.100 11.387 -3.361 1.00 0.00 H new ATOM 683 N ALA A 425 6.993 6.581 -3.872 1.00 0.00 N ATOM 684 CA ALA A 425 6.454 5.284 -4.265 1.00 0.00 C ATOM 685 C ALA A 425 5.638 4.681 -3.131 1.00 0.00 C ATOM 686 O ALA A 425 4.659 3.970 -3.358 1.00 0.00 O ATOM 687 CB ALA A 425 7.577 4.342 -4.675 1.00 0.00 C ATOM 0 H ALA A 425 8.011 6.642 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 425 5.797 5.429 -5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 425 7.157 3.379 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 425 8.121 4.769 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 425 8.259 4.202 -3.836 1.00 0.00 H new ATOM 693 N TYR A 426 6.046 4.989 -1.909 1.00 0.00 N ATOM 694 CA TYR A 426 5.363 4.504 -0.717 1.00 0.00 C ATOM 695 C TYR A 426 3.985 5.135 -0.606 1.00 0.00 C ATOM 696 O TYR A 426 2.995 4.466 -0.309 1.00 0.00 O ATOM 697 CB TYR A 426 6.172 4.861 0.526 1.00 0.00 C ATOM 698 CG TYR A 426 5.554 4.380 1.820 1.00 0.00 C ATOM 699 CD1 TYR A 426 5.381 3.025 2.072 1.00 0.00 C ATOM 700 CD2 TYR A 426 5.144 5.285 2.790 1.00 0.00 C ATOM 701 CE1 TYR A 426 4.817 2.586 3.254 1.00 0.00 C ATOM 702 CE2 TYR A 426 4.579 4.856 3.974 1.00 0.00 C ATOM 703 CZ TYR A 426 4.418 3.505 4.202 1.00 0.00 C ATOM 704 OH TYR A 426 3.855 3.072 5.380 1.00 0.00 O ATOM 0 H TYR A 426 6.855 5.579 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 426 5.261 3.421 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 426 7.171 4.435 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 426 6.290 5.944 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 426 5.693 2.303 1.332 1.00 0.00 H new ATOM 0 HD2 TYR A 426 5.269 6.343 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 426 4.689 1.529 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 426 4.265 5.574 4.717 1.00 0.00 H new ATOM 0 HH TYR A 426 3.631 3.845 5.939 1.00 0.00 H new ATOM 714 N ILE A 427 3.946 6.439 -0.831 1.00 0.00 N ATOM 715 CA ILE A 427 2.716 7.202 -0.747 1.00 0.00 C ATOM 716 C ILE A 427 1.864 7.044 -2.004 1.00 0.00 C ATOM 717 O ILE A 427 0.635 7.058 -1.936 1.00 0.00 O ATOM 718 CB ILE A 427 3.030 8.693 -0.518 1.00 0.00 C ATOM 719 CG1 ILE A 427 3.787 8.873 0.798 1.00 0.00 C ATOM 720 CG2 ILE A 427 1.753 9.512 -0.518 1.00 0.00 C ATOM 721 CD1 ILE A 427 4.129 10.312 1.113 1.00 0.00 C ATOM 0 H ILE A 427 4.765 6.995 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 427 2.147 6.813 0.097 1.00 0.00 H new ATOM 0 HB ILE A 427 3.660 9.048 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 427 3.186 8.466 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 427 4.707 8.290 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 427 1.994 10.562 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 427 1.249 9.400 -1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 427 1.097 9.163 0.279 1.00 0.00 H new ATOM 0 HD11 ILE A 427 4.665 10.359 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 427 4.757 10.719 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 427 3.212 10.897 1.185 1.00 0.00 H new ATOM 733 N ALA A 428 2.521 6.902 -3.147 1.00 0.00 N ATOM 734 CA ALA A 428 1.818 6.752 -4.413 1.00 0.00 C ATOM 735 C ALA A 428 1.085 5.416 -4.486 1.00 0.00 C ATOM 736 O ALA A 428 -0.059 5.349 -4.931 1.00 0.00 O ATOM 737 CB ALA A 428 2.789 6.888 -5.576 1.00 0.00 C ATOM 0 H ALA A 428 3.538 6.888 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 428 1.074 7.546 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 428 2.249 6.774 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 428 3.259 7.871 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 428 3.556 6.117 -5.502 1.00 0.00 H new ATOM 743 N MET A 429 1.753 4.352 -4.047 1.00 0.00 N ATOM 744 CA MET A 429 1.162 3.018 -4.066 1.00 0.00 C ATOM 745 C MET A 429 -0.155 2.989 -3.298 1.00 0.00 C ATOM 746 O MET A 429 -1.087 2.277 -3.670 1.00 0.00 O ATOM 747 CB MET A 429 2.133 1.995 -3.473 1.00 0.00 C ATOM 748 CG MET A 429 3.193 1.521 -4.454 1.00 0.00 C ATOM 749 SD MET A 429 4.110 0.091 -3.849 1.00 0.00 S ATOM 750 CE MET A 429 4.790 0.741 -2.325 1.00 0.00 C ATOM 0 H MET A 429 2.702 4.388 -3.675 1.00 0.00 H new ATOM 0 HA MET A 429 0.960 2.758 -5.105 1.00 0.00 H new ATOM 0 HB2 MET A 429 2.624 2.434 -2.605 1.00 0.00 H new ATOM 0 HB3 MET A 429 1.568 1.133 -3.118 1.00 0.00 H new ATOM 0 HG2 MET A 429 2.718 1.269 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 429 3.889 2.336 -4.653 1.00 0.00 H new ATOM 0 HE1 MET A 429 5.879 0.732 -2.379 1.00 0.00 H new ATOM 0 HE2 MET A 429 4.443 1.764 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 429 4.463 0.124 -1.488 1.00 0.00 H new