USER MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=3 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 -118:sc= 0 (180deg=-0.0413) USER MOD Single : A 714 THR OG1 : rot -3:sc= 0.41 USER MOD Single : A 719 THR OG1 : rot 5:sc= 0.671 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 42.585 -5.997 -5.673 1.00 0.00 N ATOM 279 CA ALA A 701 43.704 -5.882 -6.603 1.00 0.00 C ATOM 280 C ALA A 701 45.004 -5.595 -5.853 1.00 0.00 C ATOM 281 O ALA A 701 46.094 -5.749 -6.406 1.00 0.00 O ATOM 282 CB ALA A 701 43.430 -4.756 -7.602 1.00 0.00 C ATOM 0 HA ALA A 701 43.810 -6.828 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 701 44.267 -4.673 -8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 701 42.519 -4.977 -8.158 1.00 0.00 H new ATOM 0 HB3 ALA A 701 43.308 -3.815 -7.065 1.00 0.00 H new ATOM 288 N ILE A 702 44.881 -5.321 -4.556 1.00 0.00 N ATOM 289 CA ILE A 702 46.044 -5.036 -3.724 1.00 0.00 C ATOM 290 C ILE A 702 46.939 -6.271 -3.607 1.00 0.00 C ATOM 291 O ILE A 702 48.149 -6.151 -3.407 1.00 0.00 O ATOM 292 CB ILE A 702 45.585 -4.584 -2.330 1.00 0.00 C ATOM 293 CG1 ILE A 702 46.717 -3.811 -1.639 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.205 -5.805 -1.484 1.00 0.00 C ATOM 295 CD1 ILE A 702 46.534 -2.310 -1.877 1.00 0.00 C ATOM 0 H ILE A 702 43.990 -5.291 -4.061 1.00 0.00 H new ATOM 0 HA ILE A 702 46.621 -4.237 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 702 44.715 -3.936 -2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.716 -4.023 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 702 47.682 -4.136 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.880 -5.477 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.394 -6.347 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.070 -6.461 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 702 47.339 -1.763 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 702 46.557 -2.106 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.576 -1.991 -1.468 1.00 0.00 H new ATOM 307 N ILE A 703 46.356 -7.443 -3.855 1.00 0.00 N ATOM 308 CA ILE A 703 47.098 -8.697 -3.750 1.00 0.00 C ATOM 309 C ILE A 703 48.201 -8.756 -4.805 1.00 0.00 C ATOM 310 O ILE A 703 49.260 -9.340 -4.572 1.00 0.00 O ATOM 311 CB ILE A 703 46.149 -9.892 -3.926 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.485 -9.834 -5.311 1.00 0.00 C ATOM 313 CG2 ILE A 703 45.068 -9.857 -2.841 1.00 0.00 C ATOM 314 CD1 ILE A 703 46.181 -10.815 -6.259 1.00 0.00 C ATOM 0 H ILE A 703 45.379 -7.550 -4.128 1.00 0.00 H new ATOM 0 HA ILE A 703 47.553 -8.744 -2.761 1.00 0.00 H new ATOM 0 HB ILE A 703 46.722 -10.816 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.427 -10.082 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 703 45.545 -8.822 -5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 703 44.397 -10.706 -2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 703 45.537 -9.910 -1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 703 44.500 -8.930 -2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 703 45.708 -10.771 -7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 703 47.233 -10.547 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 703 46.098 -11.826 -5.861 1.00 0.00 H new ATOM 326 N GLY A 704 48.009 -8.013 -5.893 1.00 0.00 N ATOM 327 CA GLY A 704 49.001 -7.958 -6.959 1.00 0.00 C ATOM 328 C GLY A 704 50.100 -6.952 -6.628 1.00 0.00 C ATOM 329 O GLY A 704 51.284 -7.241 -6.802 1.00 0.00 O ATOM 0 H GLY A 704 47.179 -7.444 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.438 -8.946 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.519 -7.681 -7.896 1.00 0.00 H new ATOM 333 N LEU A 705 49.711 -5.863 -5.966 1.00 0.00 N ATOM 334 CA LEU A 705 50.670 -4.841 -5.554 1.00 0.00 C ATOM 335 C LEU A 705 51.576 -5.367 -4.443 1.00 0.00 C ATOM 336 O LEU A 705 52.747 -4.993 -4.366 1.00 0.00 O ATOM 337 CB LEU A 705 49.927 -3.595 -5.062 1.00 0.00 C ATOM 338 CG LEU A 705 49.115 -2.989 -6.212 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.169 -1.919 -5.660 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.065 -2.357 -7.233 1.00 0.00 C ATOM 0 H LEU A 705 48.745 -5.667 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 705 51.286 -4.582 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.266 -3.857 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.639 -2.862 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 705 48.533 -3.772 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.591 -1.488 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.491 -2.371 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.750 -1.136 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.487 -1.926 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.649 -1.574 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.736 -3.120 -7.626 1.00 0.00 H new ATOM 352 N MET A 706 51.086 -6.365 -3.707 1.00 0.00 N ATOM 353 CA MET A 706 51.856 -6.942 -2.606 1.00 0.00 C ATOM 354 C MET A 706 53.079 -7.684 -3.134 1.00 0.00 C ATOM 355 O MET A 706 54.122 -7.720 -2.479 1.00 0.00 O ATOM 356 CB MET A 706 50.980 -7.909 -1.804 1.00 0.00 C ATOM 357 CG MET A 706 51.746 -8.388 -0.565 1.00 0.00 C ATOM 358 SD MET A 706 50.605 -8.534 0.835 1.00 0.00 S ATOM 359 CE MET A 706 49.738 -10.020 0.272 1.00 0.00 C ATOM 0 H MET A 706 50.169 -6.787 -3.851 1.00 0.00 H new ATOM 0 HA MET A 706 52.189 -6.130 -1.960 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.056 -7.415 -1.504 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.700 -8.761 -2.423 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.217 -9.350 -0.765 1.00 0.00 H new ATOM 0 HG3 MET A 706 52.545 -7.686 -0.325 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.684 -9.789 0.116 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.176 -10.364 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.831 -10.803 1.025 1.00 0.00 H new ATOM 369 N VAL A 707 52.990 -8.148 -4.377 1.00 0.00 N ATOM 370 CA VAL A 707 54.116 -8.818 -5.018 1.00 0.00 C ATOM 371 C VAL A 707 55.293 -7.856 -5.168 1.00 0.00 C ATOM 372 O VAL A 707 56.419 -8.182 -4.791 1.00 0.00 O ATOM 373 CB VAL A 707 53.698 -9.341 -6.397 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.892 -10.026 -7.069 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.553 -10.348 -6.241 1.00 0.00 C ATOM 0 H VAL A 707 52.155 -8.073 -4.957 1.00 0.00 H new ATOM 0 HA VAL A 707 54.423 -9.656 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 707 53.364 -8.506 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.594 -10.398 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.705 -9.309 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.228 -10.859 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.258 -10.718 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.884 -11.183 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.702 -9.860 -5.766 1.00 0.00 H new ATOM 385 N GLY A 708 54.986 -6.617 -5.549 1.00 0.00 N ATOM 386 CA GLY A 708 56.017 -5.595 -5.707 1.00 0.00 C ATOM 387 C GLY A 708 56.289 -4.879 -4.386 1.00 0.00 C ATOM 388 O GLY A 708 57.193 -4.048 -4.299 1.00 0.00 O ATOM 0 H GLY A 708 54.038 -6.299 -5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.936 -6.054 -6.071 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.703 -4.871 -6.459 1.00 0.00 H new ATOM 392 N GLY A 709 55.560 -5.271 -3.343 1.00 0.00 N ATOM 393 CA GLY A 709 55.641 -4.580 -2.058 1.00 0.00 C ATOM 394 C GLY A 709 56.852 -5.051 -1.256 1.00 0.00 C ATOM 395 O GLY A 709 56.998 -4.710 -0.083 1.00 0.00 O ATOM 0 H GLY A 709 54.911 -6.058 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.706 -3.505 -2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.730 -4.760 -1.487 1.00 0.00 H new ATOM 399 N VAL A 710 57.717 -5.830 -1.900 1.00 0.00 N ATOM 400 CA VAL A 710 58.890 -6.384 -1.228 1.00 0.00 C ATOM 401 C VAL A 710 59.847 -5.273 -0.804 1.00 0.00 C ATOM 402 O VAL A 710 60.408 -5.308 0.292 1.00 0.00 O ATOM 403 CB VAL A 710 59.622 -7.362 -2.160 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.010 -8.759 -2.015 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.491 -6.897 -3.616 1.00 0.00 C ATOM 0 H VAL A 710 57.629 -6.091 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 710 58.551 -6.915 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 710 60.677 -7.392 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.528 -9.454 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 710 59.111 -9.095 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.954 -8.723 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.013 -7.596 -4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.437 -6.859 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.930 -5.905 -3.722 1.00 0.00 H new ATOM 415 N VAL A 711 60.083 -4.327 -1.710 1.00 0.00 N ATOM 416 CA VAL A 711 61.034 -3.252 -1.452 1.00 0.00 C ATOM 417 C VAL A 711 60.467 -2.273 -0.429 1.00 0.00 C ATOM 418 O VAL A 711 61.145 -1.915 0.534 1.00 0.00 O ATOM 419 CB VAL A 711 61.348 -2.513 -2.758 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.300 -1.344 -2.476 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.008 -3.481 -3.749 1.00 0.00 C ATOM 0 H VAL A 711 59.631 -4.284 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 711 61.951 -3.685 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 711 60.422 -2.129 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.520 -0.822 -3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.831 -0.654 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.226 -1.725 -2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.231 -2.955 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.932 -3.867 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.330 -4.309 -3.955 1.00 0.00 H new ATOM 431 N ILE A 712 59.161 -2.040 -0.516 1.00 0.00 N ATOM 432 CA ILE A 712 58.490 -1.132 0.408 1.00 0.00 C ATOM 433 C ILE A 712 58.295 -1.799 1.767 1.00 0.00 C ATOM 434 O ILE A 712 58.310 -1.132 2.803 1.00 0.00 O ATOM 435 CB ILE A 712 57.128 -0.718 -0.165 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.332 -0.024 -1.518 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.435 0.245 0.805 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.009 0.004 -2.291 1.00 0.00 C ATOM 0 H ILE A 712 58.549 -2.465 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 712 59.113 -0.247 0.538 1.00 0.00 H new ATOM 0 HB ILE A 712 56.507 -1.604 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.696 0.992 -1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.091 -0.551 -2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.468 0.539 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.289 -0.249 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.055 1.131 0.943 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.159 0.498 -3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.663 -1.016 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.262 0.550 -1.715 1.00 0.00 H new ATOM 450 N ALA A 713 58.191 -3.128 1.761 1.00 0.00 N ATOM 451 CA ALA A 713 58.090 -3.886 3.005 1.00 0.00 C ATOM 452 C ALA A 713 59.333 -3.675 3.863 1.00 0.00 C ATOM 453 O ALA A 713 59.250 -3.063 4.927 1.00 0.00 O ATOM 454 CB ALA A 713 57.926 -5.377 2.697 1.00 0.00 C ATOM 0 H ALA A 713 58.175 -3.697 0.915 1.00 0.00 H new ATOM 0 HA ALA A 713 57.218 -3.531 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.851 -5.935 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.021 -5.530 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.789 -5.729 2.132 1.00 0.00 H new ATOM 460 N THR A 714 60.496 -3.931 3.270 1.00 0.00 N ATOM 461 CA THR A 714 61.756 -3.870 4.008 1.00 0.00 C ATOM 462 C THR A 714 62.005 -2.458 4.531 1.00 0.00 C ATOM 463 O THR A 714 62.479 -2.283 5.652 1.00 0.00 O ATOM 464 CB THR A 714 62.915 -4.291 3.099 1.00 0.00 C ATOM 465 OG1 THR A 714 62.857 -3.556 1.886 1.00 0.00 O ATOM 466 CG2 THR A 714 62.812 -5.789 2.795 1.00 0.00 C ATOM 0 H THR A 714 60.593 -4.181 2.286 1.00 0.00 H new ATOM 0 HA THR A 714 61.691 -4.553 4.855 1.00 0.00 H new ATOM 0 HB THR A 714 63.861 -4.088 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.063 -2.982 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.637 -6.087 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.859 -6.353 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.866 -5.994 2.294 1.00 0.00 H new ATOM 474 N VAL A 715 61.483 -1.473 3.807 1.00 0.00 N ATOM 475 CA VAL A 715 61.596 -0.079 4.225 1.00 0.00 C ATOM 476 C VAL A 715 60.730 0.182 5.453 1.00 0.00 C ATOM 477 O VAL A 715 61.234 0.596 6.499 1.00 0.00 O ATOM 478 CB VAL A 715 61.158 0.839 3.077 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.238 2.302 3.524 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.077 0.623 1.869 1.00 0.00 C ATOM 0 H VAL A 715 60.979 -1.613 2.931 1.00 0.00 H new ATOM 0 HA VAL A 715 62.635 0.128 4.481 1.00 0.00 H new ATOM 0 HB VAL A 715 60.131 0.603 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.926 2.950 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.582 2.457 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.264 2.541 3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.765 1.276 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.105 0.856 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.015 -0.416 1.546 1.00 0.00 H new ATOM 490 N ILE A 716 59.480 -0.266 5.383 1.00 0.00 N ATOM 491 CA ILE A 716 58.536 -0.065 6.477 1.00 0.00 C ATOM 492 C ILE A 716 58.888 -0.967 7.659 1.00 0.00 C ATOM 493 O ILE A 716 58.760 -0.563 8.816 1.00 0.00 O ATOM 494 CB ILE A 716 57.111 -0.369 5.990 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.620 0.786 5.107 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.174 -0.531 7.193 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.322 0.382 4.403 1.00 0.00 C ATOM 0 H ILE A 716 59.098 -0.769 4.582 1.00 0.00 H new ATOM 0 HA ILE A 716 58.592 0.973 6.806 1.00 0.00 H new ATOM 0 HB ILE A 716 57.115 -1.294 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.454 1.676 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.381 1.041 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.165 -0.746 6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.524 -1.352 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.167 0.391 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 716 54.976 1.205 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.503 -0.495 3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.561 0.149 5.148 1.00 0.00 H new ATOM 509 N VAL A 717 59.469 -2.125 7.359 1.00 0.00 N ATOM 510 CA VAL A 717 59.807 -3.093 8.398 1.00 0.00 C ATOM 511 C VAL A 717 61.062 -2.651 9.145 1.00 0.00 C ATOM 512 O VAL A 717 61.080 -2.629 10.375 1.00 0.00 O ATOM 513 CB VAL A 717 60.036 -4.476 7.772 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.544 -5.448 8.843 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.719 -5.002 7.189 1.00 0.00 C ATOM 0 H VAL A 717 59.714 -2.415 6.412 1.00 0.00 H new ATOM 0 HA VAL A 717 58.978 -3.151 9.104 1.00 0.00 H new ATOM 0 HB VAL A 717 60.777 -4.392 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.706 -6.429 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.483 -5.077 9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.805 -5.530 9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.884 -5.984 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.976 -5.083 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.359 -4.314 6.424 1.00 0.00 H new ATOM 525 N ILE A 718 62.023 -2.113 8.398 1.00 0.00 N ATOM 526 CA ILE A 718 63.240 -1.578 9.002 1.00 0.00 C ATOM 527 C ILE A 718 62.902 -0.423 9.942 1.00 0.00 C ATOM 528 O ILE A 718 63.354 -0.396 11.088 1.00 0.00 O ATOM 529 CB ILE A 718 64.196 -1.094 7.901 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.907 -2.300 7.267 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.235 -0.133 8.495 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.003 -2.823 8.203 1.00 0.00 C ATOM 0 H ILE A 718 61.984 -2.036 7.382 1.00 0.00 H new ATOM 0 HA ILE A 718 63.724 -2.367 9.578 1.00 0.00 H new ATOM 0 HB ILE A 718 63.623 -0.570 7.136 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.185 -3.091 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.343 -2.012 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.909 0.206 7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.727 0.726 8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.808 -0.648 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.498 -3.677 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.733 -2.034 8.385 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.557 -3.130 9.149 1.00 0.00 H new ATOM 544 N THR A 719 61.988 0.438 9.504 1.00 0.00 N ATOM 545 CA THR A 719 61.621 1.615 10.286 1.00 0.00 C ATOM 546 C THR A 719 60.788 1.214 11.500 1.00 0.00 C ATOM 547 O THR A 719 60.936 1.791 12.578 1.00 0.00 O ATOM 548 CB THR A 719 60.820 2.591 9.418 1.00 0.00 C ATOM 549 OG1 THR A 719 59.766 1.895 8.769 1.00 0.00 O ATOM 550 CG2 THR A 719 61.740 3.217 8.365 1.00 0.00 C ATOM 0 H THR A 719 61.491 0.344 8.618 1.00 0.00 H new ATOM 0 HA THR A 719 62.536 2.098 10.629 1.00 0.00 H new ATOM 0 HB THR A 719 60.404 3.376 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.740 0.969 9.089 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.168 3.911 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.549 3.754 8.861 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.159 2.432 7.735 1.00 0.00 H new ATOM 558 N LEU A 720 60.046 0.118 11.360 1.00 0.00 N ATOM 559 CA LEU A 720 59.254 -0.408 12.467 1.00 0.00 C ATOM 560 C LEU A 720 60.162 -0.935 13.574 1.00 0.00 C ATOM 561 O LEU A 720 59.892 -0.731 14.758 1.00 0.00 O ATOM 562 CB LEU A 720 58.344 -1.535 11.964 1.00 0.00 C ATOM 563 CG LEU A 720 57.403 -1.987 13.090 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.425 -0.857 13.431 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.620 -3.226 12.639 1.00 0.00 C ATOM 0 H LEU A 720 59.977 -0.420 10.496 1.00 0.00 H new ATOM 0 HA LEU A 720 58.644 0.399 12.872 1.00 0.00 H new ATOM 0 HB2 LEU A 720 57.763 -1.191 11.108 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.947 -2.376 11.622 1.00 0.00 H new ATOM 0 HG LEU A 720 57.991 -2.233 13.974 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.759 -1.181 14.230 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.983 0.021 13.757 1.00 0.00 H new ATOM 0 HD13 LEU A 720 55.837 -0.606 12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.953 -3.546 13.439 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.034 -2.983 11.753 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.316 -4.031 12.404 1.00 0.00 H new ATOM 577 N VAL A 721 61.299 -1.503 13.177 1.00 0.00 N ATOM 578 CA VAL A 721 62.269 -2.013 14.142 1.00 0.00 C ATOM 579 C VAL A 721 62.848 -0.869 14.974 1.00 0.00 C ATOM 580 O VAL A 721 63.034 -1.008 16.184 1.00 0.00 O ATOM 581 CB VAL A 721 63.403 -2.744 13.413 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.414 -3.272 14.435 1.00 0.00 C ATOM 583 CG2 VAL A 721 62.830 -3.919 12.610 1.00 0.00 C ATOM 0 H VAL A 721 61.570 -1.621 12.201 1.00 0.00 H new ATOM 0 HA VAL A 721 61.759 -2.710 14.807 1.00 0.00 H new ATOM 0 HB VAL A 721 63.899 -2.050 12.735 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.219 -3.791 13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.827 -2.438 15.003 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.916 -3.963 15.115 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.639 -4.436 12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.330 -4.612 13.286 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.113 -3.545 11.879 1.00 0.00 H new ATOM 593 N MET A 722 62.938 0.307 14.358 1.00 0.00 N ATOM 594 CA MET A 722 63.484 1.478 15.035 1.00 0.00 C ATOM 595 C MET A 722 62.501 2.003 16.077 1.00 0.00 C ATOM 596 O MET A 722 62.904 2.445 17.154 1.00 0.00 O ATOM 597 CB MET A 722 63.779 2.576 14.008 1.00 0.00 C ATOM 598 CG MET A 722 64.794 3.564 14.589 1.00 0.00 C ATOM 599 SD MET A 722 65.105 4.885 13.392 1.00 0.00 S ATOM 600 CE MET A 722 66.288 5.820 14.394 1.00 0.00 C ATOM 0 H MET A 722 62.641 0.473 13.396 1.00 0.00 H new ATOM 0 HA MET A 722 64.406 1.190 15.539 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.170 2.135 13.091 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.859 3.097 13.744 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.415 3.985 15.521 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.724 3.048 14.827 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.620 6.698 13.840 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.810 6.136 15.321 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.147 5.190 14.625 1.00 0.00 H new ATOM 610 N LEU A 723 61.211 1.825 15.803 1.00 0.00 N ATOM 611 CA LEU A 723 60.169 2.243 16.737 1.00 0.00 C ATOM 612 C LEU A 723 60.178 1.366 17.985 1.00 0.00 C ATOM 613 O LEU A 723 59.663 1.765 19.030 1.00 0.00 O ATOM 614 CB LEU A 723 58.796 2.152 16.068 1.00 0.00 C ATOM 615 CG LEU A 723 58.723 3.126 14.887 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.419 2.891 14.122 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.763 4.568 15.397 1.00 0.00 C ATOM 0 H LEU A 723 60.863 1.396 14.945 1.00 0.00 H new ATOM 0 HA LEU A 723 60.368 3.275 17.027 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.618 1.134 15.722 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.014 2.385 16.791 1.00 0.00 H new ATOM 0 HG LEU A 723 59.574 2.958 14.227 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.361 3.581 13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.393 1.866 13.753 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.572 3.058 14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.711 5.254 14.552 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.916 4.743 16.060 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.691 4.735 15.943 1.00 0.00 H new