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 -28:sc= 0.768 USER MOD Single : A 719 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 44.549 -3.004 -5.994 1.00 0.00 N ATOM 279 CA ALA A 701 45.505 -2.712 -4.932 1.00 0.00 C ATOM 280 C ALA A 701 45.784 -3.959 -4.094 1.00 0.00 C ATOM 281 O ALA A 701 46.936 -4.253 -3.788 1.00 0.00 O ATOM 282 CB ALA A 701 44.971 -1.593 -4.032 1.00 0.00 C ATOM 0 HA ALA A 701 46.437 -2.388 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.694 -1.384 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.812 -0.693 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.027 -1.904 -3.586 1.00 0.00 H new ATOM 288 N ILE A 702 44.752 -4.772 -3.876 1.00 0.00 N ATOM 289 CA ILE A 702 44.867 -5.914 -2.971 1.00 0.00 C ATOM 290 C ILE A 702 45.940 -6.881 -3.466 1.00 0.00 C ATOM 291 O ILE A 702 46.817 -7.289 -2.706 1.00 0.00 O ATOM 292 CB ILE A 702 43.523 -6.651 -2.868 1.00 0.00 C ATOM 293 CG1 ILE A 702 42.402 -5.657 -2.535 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.608 -7.723 -1.772 1.00 0.00 C ATOM 295 CD1 ILE A 702 42.807 -4.779 -1.346 1.00 0.00 C ATOM 0 H ILE A 702 43.835 -4.663 -4.309 1.00 0.00 H new ATOM 0 HA ILE A 702 45.149 -5.541 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 702 43.302 -7.126 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 702 42.191 -5.032 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 702 41.485 -6.197 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 702 42.654 -8.246 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.394 -8.436 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 702 43.836 -7.250 -0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.003 -4.079 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.995 -5.408 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.712 -4.225 -1.595 1.00 0.00 H new ATOM 307 N ILE A 703 45.948 -7.120 -4.776 1.00 0.00 N ATOM 308 CA ILE A 703 46.972 -7.963 -5.386 1.00 0.00 C ATOM 309 C ILE A 703 48.320 -7.245 -5.401 1.00 0.00 C ATOM 310 O ILE A 703 49.357 -7.858 -5.144 1.00 0.00 O ATOM 311 CB ILE A 703 46.561 -8.321 -6.820 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.252 -9.122 -6.797 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.664 -9.160 -7.475 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.551 -9.005 -8.155 1.00 0.00 C ATOM 0 H ILE A 703 45.262 -6.745 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 703 47.069 -8.875 -4.796 1.00 0.00 H new ATOM 0 HB ILE A 703 46.414 -7.405 -7.392 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.459 -10.168 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.600 -8.749 -6.007 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.371 -9.414 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.592 -8.589 -7.496 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.814 -10.075 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.622 -9.575 -8.135 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.330 -7.958 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.202 -9.399 -8.936 1.00 0.00 H new ATOM 326 N GLY A 704 48.270 -5.917 -5.489 1.00 0.00 N ATOM 327 CA GLY A 704 49.486 -5.114 -5.524 1.00 0.00 C ATOM 328 C GLY A 704 50.135 -5.038 -4.142 1.00 0.00 C ATOM 329 O GLY A 704 51.352 -4.890 -4.029 1.00 0.00 O ATOM 0 H GLY A 704 47.405 -5.379 -5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.190 -5.545 -6.236 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.252 -4.109 -5.875 1.00 0.00 H new ATOM 333 N LEU A 705 49.326 -5.224 -3.096 1.00 0.00 N ATOM 334 CA LEU A 705 49.824 -5.138 -1.722 1.00 0.00 C ATOM 335 C LEU A 705 50.894 -6.194 -1.463 1.00 0.00 C ATOM 336 O LEU A 705 51.714 -6.033 -0.562 1.00 0.00 O ATOM 337 CB LEU A 705 48.674 -5.333 -0.725 1.00 0.00 C ATOM 338 CG LEU A 705 47.753 -4.108 -0.726 1.00 0.00 C ATOM 339 CD1 LEU A 705 46.535 -4.396 0.157 1.00 0.00 C ATOM 340 CD2 LEU A 705 48.503 -2.890 -0.176 1.00 0.00 C ATOM 0 H LEU A 705 48.331 -5.434 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 705 50.261 -4.149 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.104 -6.225 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.075 -5.494 0.276 1.00 0.00 H new ATOM 0 HG LEU A 705 47.431 -3.898 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 705 45.875 -3.528 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 705 45.997 -5.259 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 705 46.865 -4.606 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 705 47.842 -2.023 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 705 48.829 -3.093 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 705 49.373 -2.686 -0.801 1.00 0.00 H new ATOM 352 N MET A 706 50.740 -7.357 -2.096 1.00 0.00 N ATOM 353 CA MET A 706 51.692 -8.452 -1.914 1.00 0.00 C ATOM 354 C MET A 706 52.944 -8.219 -2.751 1.00 0.00 C ATOM 355 O MET A 706 54.064 -8.354 -2.255 1.00 0.00 O ATOM 356 CB MET A 706 51.050 -9.783 -2.316 1.00 0.00 C ATOM 357 CG MET A 706 50.168 -10.289 -1.172 1.00 0.00 C ATOM 358 SD MET A 706 51.209 -11.008 0.123 1.00 0.00 S ATOM 359 CE MET A 706 50.710 -9.901 1.465 1.00 0.00 C ATOM 0 H MET A 706 49.972 -7.564 -2.734 1.00 0.00 H new ATOM 0 HA MET A 706 51.972 -8.489 -0.861 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.454 -9.654 -3.219 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.822 -10.517 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.577 -9.469 -0.764 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.465 -11.034 -1.543 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.242 -10.172 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.950 -8.872 1.196 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.637 -9.991 1.631 1.00 0.00 H new ATOM 369 N VAL A 707 52.744 -7.690 -3.958 1.00 0.00 N ATOM 370 CA VAL A 707 53.864 -7.371 -4.836 1.00 0.00 C ATOM 371 C VAL A 707 54.793 -6.364 -4.166 1.00 0.00 C ATOM 372 O VAL A 707 55.943 -6.682 -3.859 1.00 0.00 O ATOM 373 CB VAL A 707 53.347 -6.791 -6.158 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.532 -6.356 -7.028 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.533 -7.854 -6.903 1.00 0.00 C ATOM 0 H VAL A 707 51.825 -7.476 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 707 54.419 -8.288 -5.036 1.00 0.00 H new ATOM 0 HB VAL A 707 52.714 -5.929 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.162 -5.944 -7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.110 -5.597 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.167 -7.217 -7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.167 -7.440 -7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 707 53.165 -8.718 -7.110 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.687 -8.162 -6.288 1.00 0.00 H new ATOM 385 N GLY A 708 54.217 -5.245 -3.737 1.00 0.00 N ATOM 386 CA GLY A 708 55.004 -4.158 -3.172 1.00 0.00 C ATOM 387 C GLY A 708 55.285 -4.401 -1.693 1.00 0.00 C ATOM 388 O GLY A 708 56.398 -4.168 -1.229 1.00 0.00 O ATOM 0 H GLY A 708 53.213 -5.069 -3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.945 -4.065 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.471 -3.215 -3.295 1.00 0.00 H new ATOM 392 N GLY A 709 54.364 -5.102 -1.036 1.00 0.00 N ATOM 393 CA GLY A 709 54.390 -5.203 0.422 1.00 0.00 C ATOM 394 C GLY A 709 55.630 -5.955 0.892 1.00 0.00 C ATOM 395 O GLY A 709 56.247 -5.581 1.886 1.00 0.00 O ATOM 0 H GLY A 709 53.597 -5.604 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 709 54.377 -4.205 0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 709 53.494 -5.716 0.771 1.00 0.00 H new ATOM 399 N VAL A 710 56.068 -6.920 0.087 1.00 0.00 N ATOM 400 CA VAL A 710 57.300 -7.648 0.374 1.00 0.00 C ATOM 401 C VAL A 710 58.508 -6.718 0.284 1.00 0.00 C ATOM 402 O VAL A 710 59.419 -6.791 1.109 1.00 0.00 O ATOM 403 CB VAL A 710 57.460 -8.804 -0.623 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.858 -9.418 -0.487 1.00 0.00 C ATOM 405 CG2 VAL A 710 56.401 -9.875 -0.338 1.00 0.00 C ATOM 0 H VAL A 710 55.591 -7.215 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 710 57.243 -8.045 1.387 1.00 0.00 H new ATOM 0 HB VAL A 710 57.332 -8.424 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.966 -10.238 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 710 59.611 -8.658 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 710 58.992 -9.796 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 710 56.514 -10.696 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 710 56.528 -10.251 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 710 55.407 -9.441 -0.442 1.00 0.00 H new ATOM 415 N VAL A 711 58.563 -5.936 -0.789 1.00 0.00 N ATOM 416 CA VAL A 711 59.672 -5.009 -0.996 1.00 0.00 C ATOM 417 C VAL A 711 59.592 -3.850 -0.006 1.00 0.00 C ATOM 418 O VAL A 711 60.605 -3.436 0.559 1.00 0.00 O ATOM 419 CB VAL A 711 59.632 -4.464 -2.429 1.00 0.00 C ATOM 420 CG1 VAL A 711 60.828 -3.532 -2.659 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.689 -5.629 -3.423 1.00 0.00 C ATOM 0 H VAL A 711 57.857 -5.925 -1.525 1.00 0.00 H new ATOM 0 HA VAL A 711 60.608 -5.545 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 711 58.707 -3.907 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.798 -3.146 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 711 60.783 -2.701 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.755 -4.085 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.660 -5.240 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL A 711 60.612 -6.189 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.835 -6.287 -3.262 1.00 0.00 H new ATOM 431 N ILE A 712 58.409 -3.255 0.097 1.00 0.00 N ATOM 432 CA ILE A 712 58.189 -2.153 1.025 1.00 0.00 C ATOM 433 C ILE A 712 58.395 -2.613 2.465 1.00 0.00 C ATOM 434 O ILE A 712 58.814 -1.831 3.319 1.00 0.00 O ATOM 435 CB ILE A 712 56.766 -1.608 0.848 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.687 -0.806 -0.458 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.408 -0.700 2.029 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.244 -0.788 -0.967 1.00 0.00 C ATOM 0 H ILE A 712 57.589 -3.517 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 712 58.910 -1.364 0.810 1.00 0.00 H new ATOM 0 HB ILE A 712 56.063 -2.440 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.037 0.213 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.342 -1.249 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.396 -0.315 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.463 -1.270 2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.110 0.133 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.192 -0.218 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.910 -1.809 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.600 -0.324 -0.220 1.00 0.00 H new ATOM 450 N ALA A 713 58.102 -3.885 2.729 1.00 0.00 N ATOM 451 CA ALA A 713 58.284 -4.441 4.068 1.00 0.00 C ATOM 452 C ALA A 713 59.725 -4.258 4.529 1.00 0.00 C ATOM 453 O ALA A 713 59.982 -3.503 5.463 1.00 0.00 O ATOM 454 CB ALA A 713 57.931 -5.930 4.077 1.00 0.00 C ATOM 0 H ALA A 713 57.741 -4.545 2.040 1.00 0.00 H new ATOM 0 HA ALA A 713 57.621 -3.910 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.071 -6.331 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.891 -6.059 3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.579 -6.462 3.380 1.00 0.00 H new ATOM 460 N THR A 714 60.662 -4.719 3.703 1.00 0.00 N ATOM 461 CA THR A 714 62.077 -4.667 4.058 1.00 0.00 C ATOM 462 C THR A 714 62.529 -3.223 4.255 1.00 0.00 C ATOM 463 O THR A 714 63.236 -2.916 5.215 1.00 0.00 O ATOM 464 CB THR A 714 62.917 -5.321 2.956 1.00 0.00 C ATOM 465 OG1 THR A 714 62.708 -4.635 1.730 1.00 0.00 O ATOM 466 CG2 THR A 714 62.506 -6.788 2.794 1.00 0.00 C ATOM 0 H THR A 714 60.468 -5.130 2.790 1.00 0.00 H new ATOM 0 HA THR A 714 62.217 -5.210 4.993 1.00 0.00 H new ATOM 0 HB THR A 714 63.971 -5.269 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.815 -4.232 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.106 -7.249 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.668 -7.317 3.733 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.451 -6.843 2.524 1.00 0.00 H new ATOM 474 N VAL A 715 61.932 -2.320 3.481 1.00 0.00 N ATOM 475 CA VAL A 715 62.255 -0.901 3.578 1.00 0.00 C ATOM 476 C VAL A 715 61.697 -0.315 4.873 1.00 0.00 C ATOM 477 O VAL A 715 62.455 0.133 5.733 1.00 0.00 O ATOM 478 CB VAL A 715 61.668 -0.155 2.373 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.801 1.357 2.580 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.424 -0.566 1.105 1.00 0.00 C ATOM 0 H VAL A 715 61.224 -2.546 2.782 1.00 0.00 H new ATOM 0 HA VAL A 715 63.339 -0.786 3.582 1.00 0.00 H new ATOM 0 HB VAL A 715 60.613 -0.410 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.382 1.880 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.262 1.650 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.854 1.618 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 715 62.009 -0.038 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.479 -0.313 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.323 -1.641 0.953 1.00 0.00 H new ATOM 490 N ILE A 716 60.406 -0.543 5.099 1.00 0.00 N ATOM 491 CA ILE A 716 59.736 -0.016 6.283 1.00 0.00 C ATOM 492 C ILE A 716 60.256 -0.707 7.541 1.00 0.00 C ATOM 493 O ILE A 716 60.424 -0.072 8.583 1.00 0.00 O ATOM 494 CB ILE A 716 58.221 -0.228 6.157 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.626 0.844 5.231 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.562 -0.144 7.541 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.502 2.178 5.976 1.00 0.00 C ATOM 0 H ILE A 716 59.805 -1.087 4.480 1.00 0.00 H new ATOM 0 HA ILE A 716 59.946 1.051 6.361 1.00 0.00 H new ATOM 0 HB ILE A 716 58.032 -1.215 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 716 58.259 0.968 4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.646 0.525 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.487 -0.296 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.979 -0.914 8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 716 57.751 0.838 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 716 57.079 2.929 5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.850 2.053 6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 716 58.488 2.502 6.309 1.00 0.00 H new ATOM 509 N VAL A 717 60.605 -1.984 7.404 1.00 0.00 N ATOM 510 CA VAL A 717 61.048 -2.777 8.546 1.00 0.00 C ATOM 511 C VAL A 717 62.337 -2.201 9.122 1.00 0.00 C ATOM 512 O VAL A 717 62.483 -2.077 10.339 1.00 0.00 O ATOM 513 CB VAL A 717 61.278 -4.233 8.115 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.123 -4.958 9.169 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.928 -4.946 7.967 1.00 0.00 C ATOM 0 H VAL A 717 60.590 -2.489 6.518 1.00 0.00 H new ATOM 0 HA VAL A 717 60.274 -2.747 9.313 1.00 0.00 H new ATOM 0 HB VAL A 717 61.803 -4.244 7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.284 -5.991 8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.085 -4.456 9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.602 -4.943 10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.094 -5.979 7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.402 -4.930 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.328 -4.436 7.213 1.00 0.00 H new ATOM 525 N ILE A 718 63.266 -1.845 8.239 1.00 0.00 N ATOM 526 CA ILE A 718 64.510 -1.211 8.661 1.00 0.00 C ATOM 527 C ILE A 718 64.220 0.086 9.412 1.00 0.00 C ATOM 528 O ILE A 718 64.892 0.407 10.393 1.00 0.00 O ATOM 529 CB ILE A 718 65.389 -0.918 7.438 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.880 -2.238 6.831 1.00 0.00 C ATOM 531 CG2 ILE A 718 66.594 -0.070 7.861 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.342 -2.002 5.390 1.00 0.00 C ATOM 0 H ILE A 718 63.181 -1.984 7.232 1.00 0.00 H new ATOM 0 HA ILE A 718 65.038 -1.892 9.329 1.00 0.00 H new ATOM 0 HB ILE A 718 64.805 -0.372 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.701 -2.640 7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.080 -2.978 6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 718 67.217 0.137 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 718 66.245 0.870 8.289 1.00 0.00 H new ATOM 0 HG23 ILE A 718 67.178 -0.613 8.604 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.690 -2.942 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 718 65.510 -1.620 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 718 67.155 -1.276 5.383 1.00 0.00 H new ATOM 544 N THR A 719 63.137 0.756 9.026 1.00 0.00 N ATOM 545 CA THR A 719 62.737 1.995 9.687 1.00 0.00 C ATOM 546 C THR A 719 62.070 1.698 11.026 1.00 0.00 C ATOM 547 O THR A 719 62.219 2.457 11.985 1.00 0.00 O ATOM 548 CB THR A 719 61.766 2.779 8.793 1.00 0.00 C ATOM 549 OG1 THR A 719 61.849 2.298 7.460 1.00 0.00 O ATOM 550 CG2 THR A 719 62.133 4.266 8.821 1.00 0.00 C ATOM 0 H THR A 719 62.525 0.464 8.264 1.00 0.00 H new ATOM 0 HA THR A 719 63.631 2.593 9.863 1.00 0.00 H new ATOM 0 HB THR A 719 60.749 2.647 9.163 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.227 2.799 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.444 4.823 8.186 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.066 4.638 9.843 1.00 0.00 H new ATOM 0 HG23 THR A 719 63.151 4.397 8.453 1.00 0.00 H new ATOM 558 N LEU A 720 61.421 0.538 11.114 1.00 0.00 N ATOM 559 CA LEU A 720 60.727 0.145 12.337 1.00 0.00 C ATOM 560 C LEU A 720 61.721 -0.060 13.477 1.00 0.00 C ATOM 561 O LEU A 720 61.377 0.102 14.647 1.00 0.00 O ATOM 562 CB LEU A 720 59.947 -1.155 12.098 1.00 0.00 C ATOM 563 CG LEU A 720 58.453 -0.922 12.352 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.672 -2.190 11.992 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.223 -0.580 13.830 1.00 0.00 C ATOM 0 H LEU A 720 61.362 -0.142 10.356 1.00 0.00 H new ATOM 0 HA LEU A 720 60.036 0.941 12.613 1.00 0.00 H new ATOM 0 HB2 LEU A 720 60.101 -1.499 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.319 -1.939 12.758 1.00 0.00 H new ATOM 0 HG LEU A 720 58.108 -0.092 11.735 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.609 -2.026 12.172 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.829 -2.428 10.940 1.00 0.00 H new ATOM 0 HD13 LEU A 720 58.021 -3.019 12.608 1.00 0.00 H new ATOM 0 HD21 LEU A 720 57.160 -0.416 14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.569 -1.405 14.453 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.776 0.324 14.085 1.00 0.00 H new ATOM 577 N VAL A 721 62.920 -0.520 13.130 1.00 0.00 N ATOM 578 CA VAL A 721 63.974 -0.718 14.122 1.00 0.00 C ATOM 579 C VAL A 721 64.261 0.586 14.862 1.00 0.00 C ATOM 580 O VAL A 721 64.426 0.591 16.082 1.00 0.00 O ATOM 581 CB VAL A 721 65.252 -1.211 13.434 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.384 -1.312 14.461 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.998 -2.589 12.815 1.00 0.00 C ATOM 0 H VAL A 721 63.186 -0.762 12.175 1.00 0.00 H new ATOM 0 HA VAL A 721 63.638 -1.465 14.841 1.00 0.00 H new ATOM 0 HB VAL A 721 65.537 -0.507 12.652 1.00 0.00 H new ATOM 0 HG11 VAL A 721 67.291 -1.663 13.969 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.565 -0.331 14.900 1.00 0.00 H new ATOM 0 HG13 VAL A 721 66.102 -2.014 15.245 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.906 -2.941 12.325 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.712 -3.292 13.597 1.00 0.00 H new ATOM 0 HG23 VAL A 721 64.195 -2.516 12.081 1.00 0.00 H new ATOM 593 N MET A 722 64.158 1.697 14.139 1.00 0.00 N ATOM 594 CA MET A 722 64.422 3.007 14.720 1.00 0.00 C ATOM 595 C MET A 722 63.299 3.411 15.677 1.00 0.00 C ATOM 596 O MET A 722 63.552 4.032 16.709 1.00 0.00 O ATOM 597 CB MET A 722 64.551 4.048 13.605 1.00 0.00 C ATOM 598 CG MET A 722 65.365 5.244 14.109 1.00 0.00 C ATOM 599 SD MET A 722 64.960 6.706 13.121 1.00 0.00 S ATOM 600 CE MET A 722 66.417 6.672 12.045 1.00 0.00 C ATOM 0 H MET A 722 63.895 1.716 13.154 1.00 0.00 H new ATOM 0 HA MET A 722 65.354 2.956 15.283 1.00 0.00 H new ATOM 0 HB2 MET A 722 65.037 3.606 12.735 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.562 4.377 13.285 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.146 5.430 15.160 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.431 5.028 14.039 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.370 7.504 11.343 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.319 6.759 12.651 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.440 5.732 11.493 1.00 0.00 H new ATOM 610 N LEU A 723 62.073 2.994 15.361 1.00 0.00 N ATOM 611 CA LEU A 723 60.927 3.272 16.229 1.00 0.00 C ATOM 612 C LEU A 723 61.110 2.603 17.590 1.00 0.00 C ATOM 613 O LEU A 723 61.276 3.282 18.603 1.00 0.00 O ATOM 614 CB LEU A 723 59.636 2.764 15.566 1.00 0.00 C ATOM 615 CG LEU A 723 58.422 3.019 16.474 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.163 4.526 16.590 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.190 2.341 15.865 1.00 0.00 C ATOM 0 H LEU A 723 61.848 2.467 14.517 1.00 0.00 H new ATOM 0 HA LEU A 723 60.856 4.349 16.379 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.492 3.265 14.609 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.723 1.698 15.358 1.00 0.00 H new ATOM 0 HG LEU A 723 58.621 2.612 17.465 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.301 4.699 17.235 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.039 5.014 17.017 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.964 4.938 15.601 1.00 0.00 H new ATOM 0 HD21 LEU A 723 56.325 2.518 16.504 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.000 2.754 14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 723 57.368 1.269 15.783 1.00 0.00 H new