USER MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 193 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 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 719 THR OG1 : rot 86:sc= 1.28 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.373 -4.514 -6.235 1.00 0.00 N ATOM 279 CA ALA A 701 44.657 -4.226 -6.866 1.00 0.00 C ATOM 280 C ALA A 701 45.808 -4.466 -5.889 1.00 0.00 C ATOM 281 O ALA A 701 46.954 -4.641 -6.303 1.00 0.00 O ATOM 282 CB ALA A 701 44.685 -2.772 -7.343 1.00 0.00 C ATOM 0 HA ALA A 701 44.779 -4.894 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.646 -2.562 -7.813 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.884 -2.610 -8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.545 -2.107 -6.491 1.00 0.00 H new ATOM 288 N ILE A 702 45.462 -4.653 -4.615 1.00 0.00 N ATOM 289 CA ILE A 702 46.468 -4.842 -3.574 1.00 0.00 C ATOM 290 C ILE A 702 47.226 -6.150 -3.796 1.00 0.00 C ATOM 291 O ILE A 702 48.427 -6.224 -3.543 1.00 0.00 O ATOM 292 CB ILE A 702 45.789 -4.839 -2.191 1.00 0.00 C ATOM 293 CG1 ILE A 702 46.676 -4.109 -1.171 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.530 -6.277 -1.717 1.00 0.00 C ATOM 295 CD1 ILE A 702 48.024 -4.824 -1.025 1.00 0.00 C ATOM 0 H ILE A 702 44.498 -4.677 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 702 47.185 -4.022 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 702 44.835 -4.319 -2.275 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.836 -3.079 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 702 46.172 -4.068 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.050 -6.257 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.879 -6.783 -2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.477 -6.813 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 702 48.640 -4.294 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 702 47.859 -5.846 -0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 702 48.533 -4.841 -1.989 1.00 0.00 H new ATOM 307 N ILE A 703 46.569 -7.098 -4.462 1.00 0.00 N ATOM 308 CA ILE A 703 47.174 -8.401 -4.722 1.00 0.00 C ATOM 309 C ILE A 703 48.439 -8.250 -5.565 1.00 0.00 C ATOM 310 O ILE A 703 49.430 -8.945 -5.334 1.00 0.00 O ATOM 311 CB ILE A 703 46.173 -9.311 -5.449 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.747 -8.664 -6.776 1.00 0.00 C ATOM 313 CG2 ILE A 703 44.938 -9.522 -4.566 1.00 0.00 C ATOM 314 CD1 ILE A 703 46.479 -9.341 -7.940 1.00 0.00 C ATOM 0 H ILE A 703 45.624 -6.989 -4.829 1.00 0.00 H new ATOM 0 HA ILE A 703 47.443 -8.851 -3.766 1.00 0.00 H new ATOM 0 HB ILE A 703 46.646 -10.272 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.669 -8.758 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 703 45.975 -7.598 -6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 703 44.228 -10.168 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 703 45.237 -9.989 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 703 44.470 -8.560 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 703 46.174 -8.879 -8.879 1.00 0.00 H new ATOM 0 HD12 ILE A 703 47.555 -9.224 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 703 46.229 -10.402 -7.959 1.00 0.00 H new ATOM 326 N GLY A 704 48.465 -7.207 -6.392 1.00 0.00 N ATOM 327 CA GLY A 704 49.605 -6.961 -7.268 1.00 0.00 C ATOM 328 C GLY A 704 50.701 -6.195 -6.531 1.00 0.00 C ATOM 329 O GLY A 704 51.890 -6.415 -6.768 1.00 0.00 O ATOM 0 H GLY A 704 47.713 -6.523 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.000 -7.909 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.283 -6.393 -8.141 1.00 0.00 H new ATOM 333 N LEU A 705 50.290 -5.324 -5.611 1.00 0.00 N ATOM 334 CA LEU A 705 51.242 -4.613 -4.761 1.00 0.00 C ATOM 335 C LEU A 705 51.751 -5.516 -3.643 1.00 0.00 C ATOM 336 O LEU A 705 52.747 -5.201 -2.992 1.00 0.00 O ATOM 337 CB LEU A 705 50.579 -3.375 -4.152 1.00 0.00 C ATOM 338 CG LEU A 705 50.201 -2.389 -5.262 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.339 -1.267 -4.673 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.471 -1.790 -5.872 1.00 0.00 C ATOM 0 H LEU A 705 49.312 -5.095 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 705 52.087 -4.309 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.690 -3.666 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.258 -2.898 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 705 49.641 -2.912 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.069 -0.564 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.434 -1.693 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.901 -0.745 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.200 -1.089 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 705 52.034 -1.266 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 705 52.085 -2.588 -6.290 1.00 0.00 H new ATOM 352 N MET A 706 50.988 -6.563 -3.338 1.00 0.00 N ATOM 353 CA MET A 706 51.316 -7.434 -2.215 1.00 0.00 C ATOM 354 C MET A 706 52.547 -8.276 -2.534 1.00 0.00 C ATOM 355 O MET A 706 53.538 -8.236 -1.805 1.00 0.00 O ATOM 356 CB MET A 706 50.132 -8.352 -1.902 1.00 0.00 C ATOM 357 CG MET A 706 50.415 -9.125 -0.609 1.00 0.00 C ATOM 358 SD MET A 706 49.165 -8.706 0.633 1.00 0.00 S ATOM 359 CE MET A 706 47.913 -9.908 0.116 1.00 0.00 C ATOM 0 H MET A 706 50.145 -6.827 -3.849 1.00 0.00 H new ATOM 0 HA MET A 706 51.531 -6.812 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.220 -7.764 -1.795 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.969 -9.047 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.404 -10.197 -0.804 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.409 -8.879 -0.236 1.00 0.00 H new ATOM 0 HE1 MET A 706 47.038 -9.822 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.624 -9.711 -0.916 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.322 -10.915 0.193 1.00 0.00 H new ATOM 369 N VAL A 707 52.542 -8.885 -3.717 1.00 0.00 N ATOM 370 CA VAL A 707 53.705 -9.627 -4.191 1.00 0.00 C ATOM 371 C VAL A 707 54.864 -8.678 -4.491 1.00 0.00 C ATOM 372 O VAL A 707 56.022 -8.995 -4.212 1.00 0.00 O ATOM 373 CB VAL A 707 53.347 -10.419 -5.457 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.344 -11.522 -5.104 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.729 -9.482 -6.500 1.00 0.00 C ATOM 0 H VAL A 707 51.751 -8.879 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 707 54.011 -10.319 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 707 54.252 -10.866 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.090 -12.084 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.786 -12.194 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.441 -11.074 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.477 -10.050 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.826 -9.029 -6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 707 53.444 -8.700 -6.755 1.00 0.00 H new ATOM 385 N GLY A 708 54.527 -7.459 -4.908 1.00 0.00 N ATOM 386 CA GLY A 708 55.538 -6.442 -5.177 1.00 0.00 C ATOM 387 C GLY A 708 55.837 -5.624 -3.924 1.00 0.00 C ATOM 388 O GLY A 708 56.637 -4.688 -3.965 1.00 0.00 O ATOM 0 H GLY A 708 53.567 -7.154 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.452 -6.918 -5.532 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.193 -5.782 -5.973 1.00 0.00 H new ATOM 392 N GLY A 709 55.337 -6.097 -2.783 1.00 0.00 N ATOM 393 CA GLY A 709 55.534 -5.397 -1.520 1.00 0.00 C ATOM 394 C GLY A 709 56.852 -5.803 -0.869 1.00 0.00 C ATOM 395 O GLY A 709 57.129 -5.426 0.269 1.00 0.00 O ATOM 0 H GLY A 709 54.795 -6.958 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.526 -4.321 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.708 -5.618 -0.845 1.00 0.00 H new ATOM 399 N VAL A 710 57.712 -6.463 -1.643 1.00 0.00 N ATOM 400 CA VAL A 710 59.001 -6.918 -1.129 1.00 0.00 C ATOM 401 C VAL A 710 59.874 -5.726 -0.748 1.00 0.00 C ATOM 402 O VAL A 710 60.438 -5.682 0.345 1.00 0.00 O ATOM 403 CB VAL A 710 59.717 -7.764 -2.189 1.00 0.00 C ATOM 404 CG1 VAL A 710 61.103 -8.170 -1.672 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.893 -9.021 -2.486 1.00 0.00 C ATOM 0 H VAL A 710 57.541 -6.693 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 710 58.826 -7.524 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 710 59.828 -7.180 -3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 710 61.611 -8.771 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.690 -7.276 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.994 -8.752 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.403 -9.621 -3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.779 -9.605 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.910 -8.732 -2.857 1.00 0.00 H new ATOM 415 N VAL A 711 59.890 -4.716 -1.614 1.00 0.00 N ATOM 416 CA VAL A 711 60.719 -3.537 -1.387 1.00 0.00 C ATOM 417 C VAL A 711 60.116 -2.660 -0.293 1.00 0.00 C ATOM 418 O VAL A 711 60.804 -2.289 0.659 1.00 0.00 O ATOM 419 CB VAL A 711 60.851 -2.734 -2.689 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.463 -2.309 -3.181 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.712 -1.491 -2.443 1.00 0.00 C ATOM 0 H VAL A 711 59.342 -4.690 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 711 61.708 -3.863 -1.064 1.00 0.00 H new ATOM 0 HB VAL A 711 61.325 -3.358 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.563 -1.740 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.855 -3.195 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 711 58.982 -1.690 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.804 -0.923 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.243 -0.869 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.702 -1.796 -2.104 1.00 0.00 H new ATOM 431 N ILE A 712 58.791 -2.532 -0.317 1.00 0.00 N ATOM 432 CA ILE A 712 58.092 -1.684 0.644 1.00 0.00 C ATOM 433 C ILE A 712 58.069 -2.347 2.021 1.00 0.00 C ATOM 434 O ILE A 712 58.135 -1.666 3.045 1.00 0.00 O ATOM 435 CB ILE A 712 56.658 -1.428 0.160 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.674 -0.337 -0.919 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.782 -0.970 1.332 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.441 -0.477 -1.816 1.00 0.00 C ATOM 0 H ILE A 712 58.183 -3.002 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 712 58.619 -0.734 0.725 1.00 0.00 H new ATOM 0 HB ILE A 712 56.249 -2.351 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.686 0.648 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.581 -0.418 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.766 -0.791 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.768 -1.744 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.188 -0.050 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.457 0.300 -2.580 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.448 -1.457 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.539 -0.374 -1.213 1.00 0.00 H new ATOM 450 N ALA A 713 58.095 -3.677 2.032 1.00 0.00 N ATOM 451 CA ALA A 713 58.189 -4.423 3.281 1.00 0.00 C ATOM 452 C ALA A 713 59.432 -4.008 4.061 1.00 0.00 C ATOM 453 O ALA A 713 59.319 -3.448 5.151 1.00 0.00 O ATOM 454 CB ALA A 713 58.245 -5.925 2.991 1.00 0.00 C ATOM 0 H ALA A 713 58.052 -4.257 1.194 1.00 0.00 H new ATOM 0 HA ALA A 713 57.306 -4.202 3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.315 -6.474 3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.342 -6.227 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.118 -6.145 2.376 1.00 0.00 H new ATOM 460 N THR A 714 60.573 -4.024 3.378 1.00 0.00 N ATOM 461 CA THR A 714 61.848 -3.725 4.022 1.00 0.00 C ATOM 462 C THR A 714 61.868 -2.284 4.528 1.00 0.00 C ATOM 463 O THR A 714 62.296 -2.025 5.653 1.00 0.00 O ATOM 464 CB THR A 714 63.001 -3.939 3.032 1.00 0.00 C ATOM 465 OG1 THR A 714 62.618 -4.899 2.056 1.00 0.00 O ATOM 466 CG2 THR A 714 64.238 -4.441 3.782 1.00 0.00 C ATOM 0 H THR A 714 60.641 -4.240 2.383 1.00 0.00 H new ATOM 0 HA THR A 714 61.971 -4.398 4.870 1.00 0.00 H new ATOM 0 HB THR A 714 63.234 -2.994 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.354 -5.034 1.423 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.055 -4.592 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.535 -3.704 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.006 -5.385 4.276 1.00 0.00 H new ATOM 474 N VAL A 715 61.190 -1.406 3.793 1.00 0.00 N ATOM 475 CA VAL A 715 61.092 -0.002 4.184 1.00 0.00 C ATOM 476 C VAL A 715 60.278 0.141 5.467 1.00 0.00 C ATOM 477 O VAL A 715 60.673 0.858 6.386 1.00 0.00 O ATOM 478 CB VAL A 715 60.429 0.806 3.061 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.303 2.274 3.484 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.279 0.713 1.791 1.00 0.00 C ATOM 0 H VAL A 715 60.703 -1.640 2.928 1.00 0.00 H new ATOM 0 HA VAL A 715 62.097 0.379 4.362 1.00 0.00 H new ATOM 0 HB VAL A 715 59.437 0.400 2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 715 59.832 2.844 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 715 59.694 2.342 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.294 2.681 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 715 60.807 1.287 0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.273 1.115 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.364 -0.330 1.485 1.00 0.00 H new ATOM 490 N ILE A 716 59.148 -0.559 5.525 1.00 0.00 N ATOM 491 CA ILE A 716 58.298 -0.526 6.712 1.00 0.00 C ATOM 492 C ILE A 716 58.982 -1.237 7.877 1.00 0.00 C ATOM 493 O ILE A 716 59.023 -0.711 8.990 1.00 0.00 O ATOM 494 CB ILE A 716 56.956 -1.200 6.408 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.202 -0.383 5.350 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.117 -1.280 7.688 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.050 -1.214 4.780 1.00 0.00 C ATOM 0 H ILE A 716 58.802 -1.152 4.770 1.00 0.00 H new ATOM 0 HA ILE A 716 58.125 0.514 6.990 1.00 0.00 H new ATOM 0 HB ILE A 716 57.134 -2.207 6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.816 0.535 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.882 -0.090 4.550 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.163 -1.760 7.468 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.652 -1.862 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 716 55.938 -0.275 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 716 54.517 -0.630 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.447 -2.120 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.364 -1.485 5.583 1.00 0.00 H new ATOM 509 N VAL A 717 59.693 -2.317 7.563 1.00 0.00 N ATOM 510 CA VAL A 717 60.331 -3.131 8.594 1.00 0.00 C ATOM 511 C VAL A 717 61.458 -2.352 9.262 1.00 0.00 C ATOM 512 O VAL A 717 61.442 -2.150 10.478 1.00 0.00 O ATOM 513 CB VAL A 717 60.891 -4.417 7.973 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.642 -5.221 9.041 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.742 -5.262 7.412 1.00 0.00 C ATOM 0 H VAL A 717 59.841 -2.647 6.609 1.00 0.00 H new ATOM 0 HA VAL A 717 59.585 -3.388 9.346 1.00 0.00 H new ATOM 0 HB VAL A 717 61.576 -4.157 7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.039 -6.134 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.463 -4.623 9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.959 -5.478 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.143 -6.175 6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.053 -5.520 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.211 -4.693 6.648 1.00 0.00 H new ATOM 525 N ILE A 718 62.307 -1.741 8.440 1.00 0.00 N ATOM 526 CA ILE A 718 63.497 -1.067 8.946 1.00 0.00 C ATOM 527 C ILE A 718 63.108 0.187 9.726 1.00 0.00 C ATOM 528 O ILE A 718 63.729 0.512 10.737 1.00 0.00 O ATOM 529 CB ILE A 718 64.422 -0.697 7.775 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.865 -0.575 8.277 1.00 0.00 C ATOM 531 CG2 ILE A 718 63.980 0.634 7.155 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.571 -1.927 8.142 1.00 0.00 C ATOM 0 H ILE A 718 62.194 -1.699 7.427 1.00 0.00 H new ATOM 0 HA ILE A 718 64.025 -1.742 9.619 1.00 0.00 H new ATOM 0 HB ILE A 718 64.365 -1.479 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.397 0.184 7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.873 -0.252 9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 718 64.642 0.887 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 718 62.958 0.543 6.788 1.00 0.00 H new ATOM 0 HG23 ILE A 718 64.026 1.420 7.909 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.597 -1.839 8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.043 -2.674 8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.576 -2.232 7.096 1.00 0.00 H new ATOM 544 N THR A 719 61.951 0.747 9.378 1.00 0.00 N ATOM 545 CA THR A 719 61.409 1.889 10.107 1.00 0.00 C ATOM 546 C THR A 719 60.818 1.442 11.439 1.00 0.00 C ATOM 547 O THR A 719 61.114 2.022 12.484 1.00 0.00 O ATOM 548 CB THR A 719 60.326 2.574 9.267 1.00 0.00 C ATOM 549 OG1 THR A 719 60.866 2.932 8.004 1.00 0.00 O ATOM 550 CG2 THR A 719 59.833 3.833 9.984 1.00 0.00 C ATOM 0 H THR A 719 61.374 0.429 8.599 1.00 0.00 H new ATOM 0 HA THR A 719 62.218 2.593 10.302 1.00 0.00 H new ATOM 0 HB THR A 719 59.490 1.888 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.802 2.169 7.393 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.063 4.316 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.418 3.560 10.954 1.00 0.00 H new ATOM 0 HG23 THR A 719 60.667 4.520 10.127 1.00 0.00 H new ATOM 558 N LEU A 720 60.109 0.318 11.411 1.00 0.00 N ATOM 559 CA LEU A 720 59.467 -0.205 12.612 1.00 0.00 C ATOM 560 C LEU A 720 60.513 -0.647 13.630 1.00 0.00 C ATOM 561 O LEU A 720 60.313 -0.513 14.838 1.00 0.00 O ATOM 562 CB LEU A 720 58.575 -1.393 12.246 1.00 0.00 C ATOM 563 CG LEU A 720 57.719 -1.788 13.457 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.241 -1.539 13.143 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.934 -3.270 13.775 1.00 0.00 C ATOM 0 H LEU A 720 59.965 -0.246 10.574 1.00 0.00 H new ATOM 0 HA LEU A 720 58.860 0.586 13.053 1.00 0.00 H new ATOM 0 HB2 LEU A 720 57.933 -1.133 11.404 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.188 -2.237 11.931 1.00 0.00 H new ATOM 0 HG LEU A 720 58.011 -1.188 14.318 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.634 -1.820 14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.089 -0.483 12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 720 55.946 -2.137 12.281 1.00 0.00 H new ATOM 0 HD21 LEU A 720 57.326 -3.550 14.635 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.644 -3.873 12.914 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.986 -3.445 14.002 1.00 0.00 H new ATOM 577 N VAL A 721 61.664 -1.087 13.129 1.00 0.00 N ATOM 578 CA VAL A 721 62.774 -1.465 13.997 1.00 0.00 C ATOM 579 C VAL A 721 63.242 -0.266 14.819 1.00 0.00 C ATOM 580 O VAL A 721 63.453 -0.381 16.027 1.00 0.00 O ATOM 581 CB VAL A 721 63.938 -2.001 13.152 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.182 -2.166 14.031 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.553 -3.359 12.555 1.00 0.00 C ATOM 0 H VAL A 721 61.852 -1.190 12.132 1.00 0.00 H new ATOM 0 HA VAL A 721 62.433 -2.245 14.678 1.00 0.00 H new ATOM 0 HB VAL A 721 64.154 -1.296 12.349 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.006 -2.547 13.428 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.459 -1.201 14.455 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.968 -2.868 14.837 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.379 -3.740 11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.335 -4.061 13.359 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.671 -3.243 11.926 1.00 0.00 H new ATOM 593 N MET A 722 63.194 0.914 14.206 1.00 0.00 N ATOM 594 CA MET A 722 63.626 2.131 14.882 1.00 0.00 C ATOM 595 C MET A 722 62.544 2.624 15.838 1.00 0.00 C ATOM 596 O MET A 722 62.846 3.100 16.933 1.00 0.00 O ATOM 597 CB MET A 722 63.939 3.226 13.855 1.00 0.00 C ATOM 598 CG MET A 722 64.980 2.715 12.852 1.00 0.00 C ATOM 599 SD MET A 722 66.116 4.060 12.423 1.00 0.00 S ATOM 600 CE MET A 722 67.493 3.032 11.855 1.00 0.00 C ATOM 0 H MET A 722 62.863 1.052 13.251 1.00 0.00 H new ATOM 0 HA MET A 722 64.527 1.904 15.452 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.028 3.517 13.331 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.314 4.116 14.361 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.534 1.879 13.280 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.485 2.343 11.955 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.317 3.671 11.538 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.826 2.388 12.669 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.166 2.418 11.016 1.00 0.00 H new ATOM 610 N LEU A 723 61.289 2.344 15.492 1.00 0.00 N ATOM 611 CA LEU A 723 60.168 2.701 16.354 1.00 0.00 C ATOM 612 C LEU A 723 60.138 1.812 17.593 1.00 0.00 C ATOM 613 O LEU A 723 60.278 2.306 18.713 1.00 0.00 O ATOM 614 CB LEU A 723 58.847 2.563 15.589 1.00 0.00 C ATOM 615 CG LEU A 723 58.796 3.594 14.456 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.606 3.292 13.543 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.642 5.001 15.042 1.00 0.00 C ATOM 0 H LEU A 723 61.025 1.874 14.626 1.00 0.00 H new ATOM 0 HA LEU A 723 60.295 3.737 16.668 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.755 1.556 15.182 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.006 2.711 16.267 1.00 0.00 H new ATOM 0 HG LEU A 723 59.721 3.541 13.881 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.570 4.025 12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.716 2.293 13.120 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.683 3.342 14.120 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.606 5.730 14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.720 5.055 15.620 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.490 5.220 15.690 1.00 0.00 H new