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 79:sc= 0.551 USER MOD Single : A 719 THR OG1 : rot 180:sc=0.000468 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.655 -4.944 -7.001 1.00 0.00 N ATOM 279 CA ALA A 701 45.025 -4.477 -7.183 1.00 0.00 C ATOM 280 C ALA A 701 45.839 -4.681 -5.908 1.00 0.00 C ATOM 281 O ALA A 701 46.935 -5.237 -5.953 1.00 0.00 O ATOM 282 CB ALA A 701 45.023 -2.993 -7.559 1.00 0.00 C ATOM 0 HA ALA A 701 45.482 -5.056 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.049 -2.650 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.469 -2.854 -8.487 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.549 -2.417 -6.764 1.00 0.00 H new ATOM 288 N ILE A 702 45.222 -4.390 -4.764 1.00 0.00 N ATOM 289 CA ILE A 702 45.932 -4.413 -3.487 1.00 0.00 C ATOM 290 C ILE A 702 46.561 -5.786 -3.244 1.00 0.00 C ATOM 291 O ILE A 702 47.695 -5.879 -2.774 1.00 0.00 O ATOM 292 CB ILE A 702 44.959 -4.071 -2.348 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.740 -2.554 -2.302 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.536 -4.541 -1.006 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.464 -2.239 -1.514 1.00 0.00 C ATOM 0 H ILE A 702 44.236 -4.137 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 702 46.729 -3.670 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 702 44.010 -4.576 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.596 -2.067 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.661 -2.158 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.840 -4.295 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.690 -5.620 -1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.489 -4.043 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.312 -1.160 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.610 -2.712 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.561 -2.620 -0.498 1.00 0.00 H new ATOM 307 N ILE A 703 45.896 -6.826 -3.739 1.00 0.00 N ATOM 308 CA ILE A 703 46.440 -8.179 -3.668 1.00 0.00 C ATOM 309 C ILE A 703 47.678 -8.309 -4.556 1.00 0.00 C ATOM 310 O ILE A 703 48.756 -8.666 -4.078 1.00 0.00 O ATOM 311 CB ILE A 703 45.373 -9.190 -4.108 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.284 -9.282 -3.032 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.014 -10.569 -4.307 1.00 0.00 C ATOM 314 CD1 ILE A 703 42.982 -9.793 -3.656 1.00 0.00 C ATOM 0 H ILE A 703 44.984 -6.759 -4.191 1.00 0.00 H new ATOM 0 HA ILE A 703 46.731 -8.385 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 703 44.931 -8.861 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.604 -9.952 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.122 -8.303 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.252 -11.283 -4.619 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.786 -10.504 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.460 -10.902 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.211 -9.857 -2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.659 -9.106 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.148 -10.781 -4.087 1.00 0.00 H new ATOM 326 N GLY A 704 47.560 -7.835 -5.794 1.00 0.00 N ATOM 327 CA GLY A 704 48.648 -7.959 -6.762 1.00 0.00 C ATOM 328 C GLY A 704 49.803 -7.018 -6.417 1.00 0.00 C ATOM 329 O GLY A 704 50.969 -7.364 -6.605 1.00 0.00 O ATOM 0 H GLY A 704 46.728 -7.364 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.007 -8.988 -6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.277 -7.733 -7.762 1.00 0.00 H new ATOM 333 N LEU A 705 49.474 -5.894 -5.780 1.00 0.00 N ATOM 334 CA LEU A 705 50.488 -4.921 -5.382 1.00 0.00 C ATOM 335 C LEU A 705 51.390 -5.494 -4.292 1.00 0.00 C ATOM 336 O LEU A 705 52.579 -5.182 -4.240 1.00 0.00 O ATOM 337 CB LEU A 705 49.814 -3.641 -4.868 1.00 0.00 C ATOM 338 CG LEU A 705 49.126 -2.914 -6.030 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.219 -1.807 -5.477 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.182 -2.300 -6.957 1.00 0.00 C ATOM 0 H LEU A 705 48.519 -5.637 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 705 51.098 -4.687 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.083 -3.888 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.555 -2.989 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 705 48.525 -3.627 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.730 -1.291 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.463 -2.247 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.818 -1.096 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.688 -1.785 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.789 -1.589 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.821 -3.089 -7.354 1.00 0.00 H new ATOM 352 N MET A 706 50.868 -6.471 -3.554 1.00 0.00 N ATOM 353 CA MET A 706 51.632 -7.096 -2.479 1.00 0.00 C ATOM 354 C MET A 706 52.832 -7.853 -3.040 1.00 0.00 C ATOM 355 O MET A 706 53.893 -7.898 -2.416 1.00 0.00 O ATOM 356 CB MET A 706 50.742 -8.061 -1.694 1.00 0.00 C ATOM 357 CG MET A 706 51.515 -8.588 -0.483 1.00 0.00 C ATOM 358 SD MET A 706 50.363 -9.341 0.690 1.00 0.00 S ATOM 359 CE MET A 706 50.154 -7.901 1.766 1.00 0.00 C ATOM 0 H MET A 706 49.927 -6.844 -3.679 1.00 0.00 H new ATOM 0 HA MET A 706 51.991 -6.310 -1.814 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.834 -7.553 -1.368 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.433 -8.889 -2.331 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.256 -9.321 -0.802 1.00 0.00 H new ATOM 0 HG3 MET A 706 52.058 -7.774 -0.003 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.467 -8.148 2.576 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.120 -7.616 2.184 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.749 -7.070 1.188 1.00 0.00 H new ATOM 369 N VAL A 707 52.685 -8.366 -4.257 1.00 0.00 N ATOM 370 CA VAL A 707 53.760 -9.112 -4.901 1.00 0.00 C ATOM 371 C VAL A 707 54.992 -8.228 -5.083 1.00 0.00 C ATOM 372 O VAL A 707 56.102 -8.626 -4.729 1.00 0.00 O ATOM 373 CB VAL A 707 53.293 -9.632 -6.265 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.427 -10.418 -6.931 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.081 -10.549 -6.075 1.00 0.00 C ATOM 0 H VAL A 707 51.836 -8.279 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 707 54.024 -9.956 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 707 53.016 -8.789 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.093 -10.787 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.290 -9.766 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.706 -11.261 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.749 -10.919 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.358 -11.391 -5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.272 -9.990 -5.603 1.00 0.00 H new ATOM 385 N GLY A 708 54.759 -6.973 -5.455 1.00 0.00 N ATOM 386 CA GLY A 708 55.848 -6.015 -5.620 1.00 0.00 C ATOM 387 C GLY A 708 56.110 -5.254 -4.323 1.00 0.00 C ATOM 388 O GLY A 708 57.055 -4.468 -4.238 1.00 0.00 O ATOM 0 H GLY A 708 53.831 -6.597 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.753 -6.538 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.600 -5.311 -6.415 1.00 0.00 H new ATOM 392 N GLY A 709 55.342 -5.578 -3.285 1.00 0.00 N ATOM 393 CA GLY A 709 55.444 -4.869 -2.013 1.00 0.00 C ATOM 394 C GLY A 709 56.598 -5.413 -1.173 1.00 0.00 C ATOM 395 O GLY A 709 56.756 -5.040 -0.011 1.00 0.00 O ATOM 0 H GLY A 709 54.646 -6.323 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.594 -3.805 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.509 -4.969 -1.461 1.00 0.00 H new ATOM 399 N VAL A 710 57.452 -6.220 -1.799 1.00 0.00 N ATOM 400 CA VAL A 710 58.588 -6.816 -1.100 1.00 0.00 C ATOM 401 C VAL A 710 59.600 -5.744 -0.705 1.00 0.00 C ATOM 402 O VAL A 710 60.035 -5.682 0.446 1.00 0.00 O ATOM 403 CB VAL A 710 59.272 -7.861 -1.992 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.606 -9.225 -1.788 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.153 -7.451 -3.465 1.00 0.00 C ATOM 0 H VAL A 710 57.380 -6.475 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 710 58.215 -7.300 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 710 60.326 -7.924 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.093 -9.966 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.700 -9.523 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.551 -9.158 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.641 -8.198 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.100 -7.380 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.633 -6.484 -3.613 1.00 0.00 H new ATOM 415 N VAL A 711 59.959 -4.895 -1.664 1.00 0.00 N ATOM 416 CA VAL A 711 60.949 -3.852 -1.420 1.00 0.00 C ATOM 417 C VAL A 711 60.422 -2.852 -0.396 1.00 0.00 C ATOM 418 O VAL A 711 61.049 -2.630 0.640 1.00 0.00 O ATOM 419 CB VAL A 711 61.273 -3.122 -2.729 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.278 -1.997 -2.458 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.874 -4.112 -3.733 1.00 0.00 C ATOM 0 H VAL A 711 59.582 -4.909 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 711 61.855 -4.316 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 711 60.357 -2.697 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.506 -1.480 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.850 -1.290 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.194 -2.419 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.104 -3.592 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.788 -4.539 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.158 -4.910 -3.931 1.00 0.00 H new ATOM 431 N ILE A 712 59.178 -2.428 -0.594 1.00 0.00 N ATOM 432 CA ILE A 712 58.560 -1.445 0.289 1.00 0.00 C ATOM 433 C ILE A 712 58.385 -2.019 1.692 1.00 0.00 C ATOM 434 O ILE A 712 58.638 -1.336 2.686 1.00 0.00 O ATOM 435 CB ILE A 712 57.196 -1.030 -0.276 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.397 -0.249 -1.580 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.462 -0.149 0.741 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.212 -0.497 -2.518 1.00 0.00 C ATOM 0 H ILE A 712 58.580 -2.748 -1.355 1.00 0.00 H new ATOM 0 HA ILE A 712 59.210 -0.572 0.350 1.00 0.00 H new ATOM 0 HB ILE A 712 56.602 -1.922 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.488 0.816 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.325 -0.558 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.493 0.144 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.315 -0.706 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.055 0.743 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.358 0.060 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.142 -1.561 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.292 -0.166 -2.037 1.00 0.00 H new ATOM 450 N ALA A 713 58.078 -3.312 1.761 1.00 0.00 N ATOM 451 CA ALA A 713 57.928 -3.989 3.047 1.00 0.00 C ATOM 452 C ALA A 713 59.222 -3.903 3.850 1.00 0.00 C ATOM 453 O ALA A 713 59.233 -3.361 4.956 1.00 0.00 O ATOM 454 CB ALA A 713 57.561 -5.458 2.826 1.00 0.00 C ATOM 0 H ALA A 713 57.929 -3.909 0.947 1.00 0.00 H new ATOM 0 HA ALA A 713 57.132 -3.496 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.451 -5.955 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.621 -5.520 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.349 -5.948 2.253 1.00 0.00 H new ATOM 460 N THR A 714 60.333 -4.216 3.189 1.00 0.00 N ATOM 461 CA THR A 714 61.636 -4.195 3.846 1.00 0.00 C ATOM 462 C THR A 714 61.994 -2.779 4.282 1.00 0.00 C ATOM 463 O THR A 714 62.436 -2.565 5.409 1.00 0.00 O ATOM 464 CB THR A 714 62.708 -4.723 2.886 1.00 0.00 C ATOM 465 OG1 THR A 714 62.268 -5.947 2.316 1.00 0.00 O ATOM 466 CG2 THR A 714 64.017 -4.955 3.650 1.00 0.00 C ATOM 0 H THR A 714 60.358 -4.485 2.206 1.00 0.00 H new ATOM 0 HA THR A 714 61.590 -4.832 4.729 1.00 0.00 H new ATOM 0 HB THR A 714 62.878 -3.992 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.634 -5.762 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.777 -5.330 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.355 -4.015 4.087 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.851 -5.685 4.443 1.00 0.00 H new ATOM 474 N VAL A 715 61.617 -1.805 3.457 1.00 0.00 N ATOM 475 CA VAL A 715 61.914 -0.406 3.749 1.00 0.00 C ATOM 476 C VAL A 715 61.209 0.035 5.030 1.00 0.00 C ATOM 477 O VAL A 715 61.737 0.846 5.790 1.00 0.00 O ATOM 478 CB VAL A 715 61.460 0.476 2.579 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.713 1.950 2.916 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.244 0.098 1.318 1.00 0.00 C ATOM 0 H VAL A 715 61.108 -1.958 2.586 1.00 0.00 H new ATOM 0 HA VAL A 715 62.990 -0.300 3.888 1.00 0.00 H new ATOM 0 HB VAL A 715 60.395 0.323 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.390 2.574 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.152 2.220 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.777 2.105 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.921 0.725 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.309 0.248 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.060 -0.949 1.075 1.00 0.00 H new ATOM 490 N ILE A 716 60.042 -0.549 5.289 1.00 0.00 N ATOM 491 CA ILE A 716 59.294 -0.243 6.505 1.00 0.00 C ATOM 492 C ILE A 716 59.865 -1.015 7.694 1.00 0.00 C ATOM 493 O ILE A 716 59.909 -0.499 8.811 1.00 0.00 O ATOM 494 CB ILE A 716 57.815 -0.601 6.314 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.214 0.282 5.215 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.056 -0.371 7.627 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.901 -0.332 4.721 1.00 0.00 C ATOM 0 H ILE A 716 59.596 -1.233 4.677 1.00 0.00 H new ATOM 0 HA ILE A 716 59.382 0.824 6.707 1.00 0.00 H new ATOM 0 HB ILE A 716 57.730 -1.649 6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.035 1.286 5.599 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.916 0.378 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.005 -0.626 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.482 -1.000 8.409 1.00 0.00 H new ATOM 0 HG23 ILE A 716 57.140 0.676 7.917 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.476 0.298 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.093 -1.327 4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.198 -0.404 5.551 1.00 0.00 H new ATOM 509 N VAL A 717 60.423 -2.192 7.418 1.00 0.00 N ATOM 510 CA VAL A 717 60.926 -3.059 8.481 1.00 0.00 C ATOM 511 C VAL A 717 62.096 -2.397 9.205 1.00 0.00 C ATOM 512 O VAL A 717 62.144 -2.386 10.435 1.00 0.00 O ATOM 513 CB VAL A 717 61.375 -4.406 7.895 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.100 -5.223 8.970 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.150 -5.185 7.405 1.00 0.00 C ATOM 0 H VAL A 717 60.538 -2.565 6.476 1.00 0.00 H new ATOM 0 HA VAL A 717 60.121 -3.228 9.196 1.00 0.00 H new ATOM 0 HB VAL A 717 62.052 -4.226 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.417 -6.178 8.550 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.974 -4.672 9.318 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.426 -5.401 9.808 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.469 -6.141 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.472 -5.361 8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.636 -4.608 6.636 1.00 0.00 H new ATOM 525 N ILE A 718 62.956 -1.723 8.443 1.00 0.00 N ATOM 526 CA ILE A 718 64.110 -1.044 9.029 1.00 0.00 C ATOM 527 C ILE A 718 63.651 0.094 9.938 1.00 0.00 C ATOM 528 O ILE A 718 64.262 0.352 10.976 1.00 0.00 O ATOM 529 CB ILE A 718 65.031 -0.499 7.923 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.558 0.895 7.482 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.013 -1.451 6.720 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.310 1.324 6.219 1.00 0.00 C ATOM 0 H ILE A 718 62.877 -1.633 7.430 1.00 0.00 H new ATOM 0 HA ILE A 718 64.669 -1.765 9.625 1.00 0.00 H new ATOM 0 HB ILE A 718 66.046 -0.424 8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 718 63.485 0.881 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.729 1.617 8.281 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.666 -1.062 5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.364 -2.435 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 718 63.996 -1.533 6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 718 64.970 2.313 5.911 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.380 1.356 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.116 0.609 5.420 1.00 0.00 H new ATOM 544 N THR A 719 62.462 0.620 9.649 1.00 0.00 N ATOM 545 CA THR A 719 61.894 1.704 10.446 1.00 0.00 C ATOM 546 C THR A 719 61.267 1.155 11.725 1.00 0.00 C ATOM 547 O THR A 719 61.152 1.867 12.724 1.00 0.00 O ATOM 548 CB THR A 719 60.829 2.445 9.631 1.00 0.00 C ATOM 549 OG1 THR A 719 61.190 2.437 8.257 1.00 0.00 O ATOM 550 CG2 THR A 719 60.722 3.893 10.120 1.00 0.00 C ATOM 0 H THR A 719 61.876 0.314 8.872 1.00 0.00 H new ATOM 0 HA THR A 719 62.694 2.394 10.714 1.00 0.00 H new ATOM 0 HB THR A 719 59.868 1.947 9.758 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.507 2.910 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.964 4.418 9.539 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.442 3.902 11.173 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.684 4.391 9.996 1.00 0.00 H new ATOM 558 N LEU A 720 60.767 -0.076 11.649 1.00 0.00 N ATOM 559 CA LEU A 720 60.138 -0.710 12.803 1.00 0.00 C ATOM 560 C LEU A 720 61.154 -0.923 13.923 1.00 0.00 C ATOM 561 O LEU A 720 60.799 -0.928 15.102 1.00 0.00 O ATOM 562 CB LEU A 720 59.539 -2.060 12.393 1.00 0.00 C ATOM 563 CG LEU A 720 58.557 -2.538 13.472 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.120 -2.294 13.003 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.764 -4.034 13.727 1.00 0.00 C ATOM 0 H LEU A 720 60.785 -0.650 10.806 1.00 0.00 H new ATOM 0 HA LEU A 720 59.347 -0.054 13.167 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.026 -1.966 11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.332 -2.795 12.258 1.00 0.00 H new ATOM 0 HG LEU A 720 58.736 -1.984 14.394 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.424 -2.634 13.770 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.971 -1.229 12.824 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.940 -2.845 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 720 58.066 -4.372 14.493 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.587 -4.588 12.805 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.786 -4.208 14.064 1.00 0.00 H new ATOM 577 N VAL A 721 62.418 -1.101 13.543 1.00 0.00 N ATOM 578 CA VAL A 721 63.490 -1.240 14.523 1.00 0.00 C ATOM 579 C VAL A 721 63.566 -0.003 15.417 1.00 0.00 C ATOM 580 O VAL A 721 63.785 -0.117 16.624 1.00 0.00 O ATOM 581 CB VAL A 721 64.832 -1.442 13.805 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.967 -1.467 14.833 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.811 -2.769 13.038 1.00 0.00 C ATOM 0 H VAL A 721 62.722 -1.152 12.571 1.00 0.00 H new ATOM 0 HA VAL A 721 63.278 -2.109 15.146 1.00 0.00 H new ATOM 0 HB VAL A 721 64.993 -0.621 13.106 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.919 -1.611 14.321 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.986 -0.522 15.377 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.805 -2.286 15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.765 -2.910 12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.647 -3.590 13.736 1.00 0.00 H new ATOM 0 HG23 VAL A 721 64.006 -2.752 12.303 1.00 0.00 H new ATOM 593 N MET A 722 63.206 1.149 14.854 1.00 0.00 N ATOM 594 CA MET A 722 63.287 2.411 15.588 1.00 0.00 C ATOM 595 C MET A 722 62.173 2.499 16.628 1.00 0.00 C ATOM 596 O MET A 722 62.349 3.103 17.688 1.00 0.00 O ATOM 597 CB MET A 722 63.175 3.591 14.614 1.00 0.00 C ATOM 598 CG MET A 722 64.449 4.440 14.684 1.00 0.00 C ATOM 599 SD MET A 722 64.607 5.161 16.337 1.00 0.00 S ATOM 600 CE MET A 722 65.399 6.713 15.841 1.00 0.00 C ATOM 0 H MET A 722 62.858 1.235 13.899 1.00 0.00 H new ATOM 0 HA MET A 722 64.249 2.452 16.099 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.026 3.224 13.598 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.306 4.200 14.864 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.321 3.825 14.459 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.414 5.230 13.933 1.00 0.00 H new ATOM 0 HE1 MET A 722 65.590 7.323 16.724 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.342 6.496 15.339 1.00 0.00 H new ATOM 0 HE3 MET A 722 64.742 7.255 15.161 1.00 0.00 H new ATOM 610 N LEU A 723 61.074 1.793 16.368 1.00 0.00 N ATOM 611 CA LEU A 723 59.972 1.720 17.323 1.00 0.00 C ATOM 612 C LEU A 723 60.362 0.876 18.534 1.00 0.00 C ATOM 613 O LEU A 723 59.615 0.801 19.510 1.00 0.00 O ATOM 614 CB LEU A 723 58.736 1.105 16.651 1.00 0.00 C ATOM 615 CG LEU A 723 58.289 1.978 15.468 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.179 1.257 14.694 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.766 3.325 15.982 1.00 0.00 C ATOM 0 H LEU A 723 60.924 1.266 15.508 1.00 0.00 H new ATOM 0 HA LEU A 723 59.742 2.732 17.657 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.965 0.098 16.304 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.925 1.016 17.374 1.00 0.00 H new ATOM 0 HG LEU A 723 59.139 2.154 14.809 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.861 1.875 13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.555 0.304 14.321 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.331 1.079 15.355 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.451 3.939 15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.918 3.157 16.645 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.557 3.838 16.528 1.00 0.00 H new