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= 0.0374 USER MOD Single : A 719 THR OG1 : rot 8:sc= 0.438 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.563 -5.295 -6.597 1.00 0.00 N ATOM 279 CA ALA A 701 44.861 -4.710 -6.916 1.00 0.00 C ATOM 280 C ALA A 701 45.824 -4.869 -5.743 1.00 0.00 C ATOM 281 O ALA A 701 46.913 -5.415 -5.910 1.00 0.00 O ATOM 282 CB ALA A 701 44.700 -3.227 -7.251 1.00 0.00 C ATOM 0 HA ALA A 701 45.270 -5.233 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.674 -2.800 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.038 -3.118 -8.110 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.273 -2.705 -6.395 1.00 0.00 H new ATOM 288 N ILE A 702 45.306 -4.653 -4.535 1.00 0.00 N ATOM 289 CA ILE A 702 46.137 -4.693 -3.332 1.00 0.00 C ATOM 290 C ILE A 702 46.842 -6.043 -3.214 1.00 0.00 C ATOM 291 O ILE A 702 48.040 -6.093 -2.928 1.00 0.00 O ATOM 292 CB ILE A 702 45.267 -4.453 -2.089 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.439 -3.174 -2.283 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.161 -4.299 -0.851 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.536 -2.951 -1.067 1.00 0.00 C ATOM 0 H ILE A 702 44.321 -4.450 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 702 46.891 -3.909 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 702 44.600 -5.303 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.101 -2.318 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.834 -3.255 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.539 -4.129 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.747 -5.207 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.832 -3.451 -0.990 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.951 -2.042 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.864 -3.801 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 702 44.150 -2.850 -0.172 1.00 0.00 H new ATOM 307 N ILE A 703 46.179 -7.086 -3.711 1.00 0.00 N ATOM 308 CA ILE A 703 46.751 -8.430 -3.691 1.00 0.00 C ATOM 309 C ILE A 703 47.947 -8.515 -4.637 1.00 0.00 C ATOM 310 O ILE A 703 49.042 -8.898 -4.226 1.00 0.00 O ATOM 311 CB ILE A 703 45.690 -9.461 -4.108 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.347 -9.137 -3.437 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.144 -10.867 -3.697 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.542 -8.969 -1.925 1.00 0.00 C ATOM 0 H ILE A 703 45.251 -7.027 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 703 47.086 -8.647 -2.677 1.00 0.00 H new ATOM 0 HB ILE A 703 45.566 -9.422 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.930 -8.224 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 703 43.631 -9.935 -3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.389 -11.595 -3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.088 -11.102 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.278 -10.905 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.584 -8.739 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.939 -9.893 -1.504 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.242 -8.155 -1.737 1.00 0.00 H new ATOM 326 N GLY A 704 47.781 -7.956 -5.835 1.00 0.00 N ATOM 327 CA GLY A 704 48.820 -8.029 -6.857 1.00 0.00 C ATOM 328 C GLY A 704 49.938 -7.029 -6.570 1.00 0.00 C ATOM 329 O GLY A 704 51.116 -7.316 -6.792 1.00 0.00 O ATOM 0 H GLY A 704 46.942 -7.451 -6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.230 -9.038 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.387 -7.826 -7.836 1.00 0.00 H new ATOM 333 N LEU A 705 49.560 -5.886 -6.003 1.00 0.00 N ATOM 334 CA LEU A 705 50.529 -4.862 -5.618 1.00 0.00 C ATOM 335 C LEU A 705 51.449 -5.367 -4.514 1.00 0.00 C ATOM 336 O LEU A 705 52.610 -4.964 -4.434 1.00 0.00 O ATOM 337 CB LEU A 705 49.788 -3.614 -5.136 1.00 0.00 C ATOM 338 CG LEU A 705 49.043 -2.990 -6.318 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.060 -1.933 -5.805 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.051 -2.342 -7.269 1.00 0.00 C ATOM 0 H LEU A 705 48.590 -5.645 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 705 51.138 -4.620 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.086 -3.875 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.492 -2.897 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 705 48.490 -3.764 -6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.530 -1.489 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.342 -2.400 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.607 -1.156 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.522 -1.897 -8.112 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.606 -1.568 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.745 -3.099 -7.635 1.00 0.00 H new ATOM 352 N MET A 706 50.968 -6.346 -3.755 1.00 0.00 N ATOM 353 CA MET A 706 51.751 -6.917 -2.666 1.00 0.00 C ATOM 354 C MET A 706 53.028 -7.562 -3.198 1.00 0.00 C ATOM 355 O MET A 706 54.079 -7.488 -2.559 1.00 0.00 O ATOM 356 CB MET A 706 50.920 -7.965 -1.925 1.00 0.00 C ATOM 357 CG MET A 706 51.575 -8.269 -0.576 1.00 0.00 C ATOM 358 SD MET A 706 50.784 -9.718 0.165 1.00 0.00 S ATOM 359 CE MET A 706 49.558 -8.829 1.158 1.00 0.00 C ATOM 0 H MET A 706 50.043 -6.759 -3.873 1.00 0.00 H new ATOM 0 HA MET A 706 52.024 -6.114 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.904 -7.600 -1.775 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.847 -8.875 -2.520 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.641 -8.452 -0.710 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.480 -7.410 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.948 -9.545 1.709 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.068 -8.170 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.919 -8.237 0.503 1.00 0.00 H new ATOM 369 N VAL A 707 52.967 -8.036 -4.439 1.00 0.00 N ATOM 370 CA VAL A 707 54.128 -8.656 -5.071 1.00 0.00 C ATOM 371 C VAL A 707 55.267 -7.649 -5.205 1.00 0.00 C ATOM 372 O VAL A 707 56.403 -7.937 -4.827 1.00 0.00 O ATOM 373 CB VAL A 707 53.745 -9.193 -6.456 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.970 -9.839 -7.112 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.632 -10.237 -6.316 1.00 0.00 C ATOM 0 H VAL A 707 52.132 -8.003 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 707 54.464 -9.482 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 707 53.392 -8.369 -7.076 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.697 -10.220 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.761 -9.096 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.325 -10.661 -6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.363 -10.616 -7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.982 -11.061 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.759 -9.778 -5.853 1.00 0.00 H new ATOM 385 N GLY A 708 54.915 -6.415 -5.559 1.00 0.00 N ATOM 386 CA GLY A 708 55.904 -5.347 -5.670 1.00 0.00 C ATOM 387 C GLY A 708 56.103 -4.639 -4.331 1.00 0.00 C ATOM 388 O GLY A 708 57.027 -3.838 -4.178 1.00 0.00 O ATOM 0 H GLY A 708 53.959 -6.132 -5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.853 -5.760 -6.011 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.582 -4.626 -6.422 1.00 0.00 H new ATOM 392 N GLY A 709 55.342 -5.064 -3.324 1.00 0.00 N ATOM 393 CA GLY A 709 55.372 -4.408 -2.020 1.00 0.00 C ATOM 394 C GLY A 709 56.499 -4.963 -1.152 1.00 0.00 C ATOM 395 O GLY A 709 56.609 -4.618 0.025 1.00 0.00 O ATOM 0 H GLY A 709 54.701 -5.855 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.506 -3.334 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.416 -4.550 -1.516 1.00 0.00 H new ATOM 399 N VAL A 710 57.426 -5.681 -1.783 1.00 0.00 N ATOM 400 CA VAL A 710 58.532 -6.301 -1.058 1.00 0.00 C ATOM 401 C VAL A 710 59.550 -5.246 -0.635 1.00 0.00 C ATOM 402 O VAL A 710 60.059 -5.279 0.486 1.00 0.00 O ATOM 403 CB VAL A 710 59.217 -7.346 -1.948 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.385 -7.985 -1.187 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.207 -8.433 -2.335 1.00 0.00 C ATOM 0 H VAL A 710 57.433 -5.847 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 710 58.134 -6.786 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 710 59.592 -6.860 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.870 -8.727 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.106 -7.215 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.010 -8.468 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.695 -9.175 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.829 -8.916 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.377 -7.982 -2.879 1.00 0.00 H new ATOM 415 N VAL A 711 59.952 -4.410 -1.589 1.00 0.00 N ATOM 416 CA VAL A 711 60.921 -3.355 -1.314 1.00 0.00 C ATOM 417 C VAL A 711 60.387 -2.403 -0.248 1.00 0.00 C ATOM 418 O VAL A 711 60.996 -2.253 0.813 1.00 0.00 O ATOM 419 CB VAL A 711 61.219 -2.579 -2.604 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.092 -1.359 -2.287 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.956 -3.493 -3.588 1.00 0.00 C ATOM 0 H VAL A 711 59.623 -4.443 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 711 61.840 -3.810 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 711 60.282 -2.243 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.300 -0.812 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.567 -0.708 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.030 -1.689 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.169 -2.944 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.892 -3.829 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.333 -4.357 -3.819 1.00 0.00 H new ATOM 431 N ILE A 712 59.137 -1.981 -0.426 1.00 0.00 N ATOM 432 CA ILE A 712 58.504 -1.061 0.513 1.00 0.00 C ATOM 433 C ILE A 712 58.355 -1.714 1.884 1.00 0.00 C ATOM 434 O ILE A 712 58.499 -1.054 2.913 1.00 0.00 O ATOM 435 CB ILE A 712 57.125 -0.646 -0.011 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.283 0.080 -1.353 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.449 0.288 1.000 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.001 -0.073 -2.176 1.00 0.00 C ATOM 0 H ILE A 712 58.546 -2.261 -1.209 1.00 0.00 H new ATOM 0 HA ILE A 712 59.136 -0.178 0.611 1.00 0.00 H new ATOM 0 HB ILE A 712 56.509 -1.535 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.494 1.136 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.130 -0.331 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.469 0.582 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.333 -0.229 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.064 1.177 1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.116 0.444 -3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.809 -1.131 -2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.163 0.359 -1.628 1.00 0.00 H new ATOM 450 N ALA A 713 58.112 -3.023 1.889 1.00 0.00 N ATOM 451 CA ALA A 713 58.002 -3.767 3.140 1.00 0.00 C ATOM 452 C ALA A 713 59.282 -3.625 3.957 1.00 0.00 C ATOM 453 O ALA A 713 59.257 -3.053 5.046 1.00 0.00 O ATOM 454 CB ALA A 713 57.734 -5.246 2.851 1.00 0.00 C ATOM 0 H ALA A 713 57.988 -3.586 1.047 1.00 0.00 H new ATOM 0 HA ALA A 713 57.170 -3.358 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.654 -5.792 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.803 -5.345 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.555 -5.656 2.262 1.00 0.00 H new ATOM 460 N THR A 714 60.414 -3.850 3.294 1.00 0.00 N ATOM 461 CA THR A 714 61.710 -3.796 3.966 1.00 0.00 C ATOM 462 C THR A 714 61.982 -2.389 4.492 1.00 0.00 C ATOM 463 O THR A 714 62.404 -2.225 5.636 1.00 0.00 O ATOM 464 CB THR A 714 62.822 -4.204 2.992 1.00 0.00 C ATOM 465 OG1 THR A 714 62.317 -5.156 2.066 1.00 0.00 O ATOM 466 CG2 THR A 714 63.987 -4.822 3.771 1.00 0.00 C ATOM 0 H THR A 714 60.461 -4.070 2.299 1.00 0.00 H new ATOM 0 HA THR A 714 61.692 -4.489 4.807 1.00 0.00 H new ATOM 0 HB THR A 714 63.171 -3.322 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.028 -5.415 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.776 -5.111 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.377 -4.093 4.481 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.638 -5.702 4.310 1.00 0.00 H new ATOM 474 N VAL A 715 61.489 -1.394 3.759 1.00 0.00 N ATOM 475 CA VAL A 715 61.682 0.002 4.143 1.00 0.00 C ATOM 476 C VAL A 715 60.858 0.330 5.388 1.00 0.00 C ATOM 477 O VAL A 715 61.413 0.730 6.412 1.00 0.00 O ATOM 478 CB VAL A 715 61.266 0.919 2.986 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.480 2.384 3.383 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.110 0.596 1.747 1.00 0.00 C ATOM 0 H VAL A 715 60.955 -1.527 2.900 1.00 0.00 H new ATOM 0 HA VAL A 715 62.736 0.162 4.370 1.00 0.00 H new ATOM 0 HB VAL A 715 60.212 0.757 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.183 3.032 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.877 2.615 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.533 2.549 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.814 1.248 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.164 0.754 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.952 -0.444 1.460 1.00 0.00 H new ATOM 490 N ILE A 716 59.597 -0.093 5.371 1.00 0.00 N ATOM 491 CA ILE A 716 58.692 0.166 6.489 1.00 0.00 C ATOM 492 C ILE A 716 59.065 -0.699 7.692 1.00 0.00 C ATOM 493 O ILE A 716 58.816 -0.323 8.838 1.00 0.00 O ATOM 494 CB ILE A 716 57.248 -0.133 6.065 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.842 0.798 4.910 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.303 0.072 7.258 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.512 2.196 5.445 1.00 0.00 C ATOM 0 H ILE A 716 59.179 -0.614 4.600 1.00 0.00 H new ATOM 0 HA ILE A 716 58.779 1.215 6.773 1.00 0.00 H new ATOM 0 HB ILE A 716 57.180 -1.168 5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.652 0.861 4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.977 0.387 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.279 -0.142 6.952 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.588 -0.600 8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.371 1.104 7.603 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.226 2.844 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.687 2.129 6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.388 2.610 5.945 1.00 0.00 H new ATOM 509 N VAL A 717 59.588 -1.891 7.417 1.00 0.00 N ATOM 510 CA VAL A 717 59.957 -2.824 8.476 1.00 0.00 C ATOM 511 C VAL A 717 61.237 -2.365 9.168 1.00 0.00 C ATOM 512 O VAL A 717 61.333 -2.389 10.396 1.00 0.00 O ATOM 513 CB VAL A 717 60.160 -4.226 7.883 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.833 -5.135 8.918 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.803 -4.817 7.492 1.00 0.00 C ATOM 0 H VAL A 717 59.765 -2.232 6.472 1.00 0.00 H new ATOM 0 HA VAL A 717 59.154 -2.855 9.212 1.00 0.00 H new ATOM 0 HB VAL A 717 60.795 -4.154 7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.975 -6.128 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.801 -4.717 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.202 -5.207 9.804 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.947 -5.812 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.168 -4.885 8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.327 -4.175 6.751 1.00 0.00 H new ATOM 525 N ILE A 718 62.229 -1.981 8.369 1.00 0.00 N ATOM 526 CA ILE A 718 63.486 -1.471 8.906 1.00 0.00 C ATOM 527 C ILE A 718 63.227 -0.286 9.833 1.00 0.00 C ATOM 528 O ILE A 718 63.675 -0.285 10.980 1.00 0.00 O ATOM 529 CB ILE A 718 64.408 -1.048 7.751 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.063 -2.295 7.133 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.492 -0.092 8.266 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.212 -2.786 8.022 1.00 0.00 C ATOM 0 H ILE A 718 62.187 -2.013 7.350 1.00 0.00 H new ATOM 0 HA ILE A 718 63.971 -2.260 9.482 1.00 0.00 H new ATOM 0 HB ILE A 718 63.818 -0.535 6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.321 -3.085 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.439 -2.061 6.137 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.140 0.202 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.023 0.795 8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.085 -0.592 9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.667 -3.669 7.574 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.961 -2.000 8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.826 -3.039 9.009 1.00 0.00 H new ATOM 544 N THR A 719 62.307 0.582 9.422 1.00 0.00 N ATOM 545 CA THR A 719 61.994 1.776 10.200 1.00 0.00 C ATOM 546 C THR A 719 61.193 1.412 11.449 1.00 0.00 C ATOM 547 O THR A 719 61.384 2.010 12.509 1.00 0.00 O ATOM 548 CB THR A 719 61.193 2.762 9.344 1.00 0.00 C ATOM 549 OG1 THR A 719 60.084 2.094 8.763 1.00 0.00 O ATOM 550 CG2 THR A 719 62.087 3.325 8.235 1.00 0.00 C ATOM 0 H THR A 719 61.769 0.482 8.561 1.00 0.00 H new ATOM 0 HA THR A 719 62.931 2.240 10.509 1.00 0.00 H new ATOM 0 HB THR A 719 60.838 3.579 9.972 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.007 1.195 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.515 4.026 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.938 3.841 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.445 2.509 7.607 1.00 0.00 H new ATOM 558 N LEU A 720 60.449 0.310 11.365 1.00 0.00 N ATOM 559 CA LEU A 720 59.688 -0.181 12.512 1.00 0.00 C ATOM 560 C LEU A 720 60.625 -0.704 13.600 1.00 0.00 C ATOM 561 O LEU A 720 60.258 -0.749 14.774 1.00 0.00 O ATOM 562 CB LEU A 720 58.740 -1.304 12.069 1.00 0.00 C ATOM 563 CG LEU A 720 57.282 -0.853 12.234 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.352 -1.910 11.632 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.956 -0.675 13.723 1.00 0.00 C ATOM 0 H LEU A 720 60.357 -0.256 10.521 1.00 0.00 H new ATOM 0 HA LEU A 720 59.108 0.648 12.918 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.933 -1.566 11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.922 -2.200 12.662 1.00 0.00 H new ATOM 0 HG LEU A 720 57.140 0.098 11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.316 -1.592 11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.578 -2.032 10.573 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.500 -2.860 12.146 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.920 -0.355 13.833 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.100 -1.622 14.243 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.616 0.079 14.152 1.00 0.00 H new ATOM 577 N VAL A 721 61.773 -1.233 13.181 1.00 0.00 N ATOM 578 CA VAL A 721 62.756 -1.758 14.127 1.00 0.00 C ATOM 579 C VAL A 721 63.320 -0.635 14.992 1.00 0.00 C ATOM 580 O VAL A 721 63.553 -0.821 16.187 1.00 0.00 O ATOM 581 CB VAL A 721 63.894 -2.451 13.369 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.959 -2.930 14.362 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.339 -3.653 12.599 1.00 0.00 C ATOM 0 H VAL A 721 62.044 -1.309 12.201 1.00 0.00 H new ATOM 0 HA VAL A 721 62.261 -2.482 14.774 1.00 0.00 H new ATOM 0 HB VAL A 721 64.342 -1.745 12.670 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.767 -3.422 13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.357 -2.075 14.909 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.512 -3.634 15.064 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.149 -4.145 12.060 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.888 -4.357 13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.585 -3.314 11.889 1.00 0.00 H new ATOM 593 N MET A 722 63.344 0.572 14.432 1.00 0.00 N ATOM 594 CA MET A 722 63.850 1.733 15.155 1.00 0.00 C ATOM 595 C MET A 722 62.777 2.307 16.070 1.00 0.00 C ATOM 596 O MET A 722 63.084 2.835 17.140 1.00 0.00 O ATOM 597 CB MET A 722 64.309 2.808 14.164 1.00 0.00 C ATOM 598 CG MET A 722 65.697 2.445 13.633 1.00 0.00 C ATOM 599 SD MET A 722 65.602 0.889 12.713 1.00 0.00 S ATOM 600 CE MET A 722 67.370 0.708 12.372 1.00 0.00 C ATOM 0 H MET A 722 63.021 0.770 13.485 1.00 0.00 H new ATOM 0 HA MET A 722 64.696 1.415 15.764 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.600 2.886 13.340 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.337 3.782 14.653 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.070 3.240 12.987 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.401 2.349 14.460 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.539 -0.206 11.802 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.719 1.565 11.796 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.918 0.656 13.313 1.00 0.00 H new ATOM 610 N LEU A 723 61.517 2.059 15.722 1.00 0.00 N ATOM 611 CA LEU A 723 60.407 2.560 16.522 1.00 0.00 C ATOM 612 C LEU A 723 60.461 1.979 17.931 1.00 0.00 C ATOM 613 O LEU A 723 60.524 2.717 18.914 1.00 0.00 O ATOM 614 CB LEU A 723 59.070 2.194 15.862 1.00 0.00 C ATOM 615 CG LEU A 723 57.915 2.645 16.765 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.878 4.176 16.818 1.00 0.00 C ATOM 617 CD2 LEU A 723 56.591 2.110 16.210 1.00 0.00 C ATOM 0 H LEU A 723 61.243 1.520 14.901 1.00 0.00 H new ATOM 0 HA LEU A 723 60.490 3.645 16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.991 2.672 14.886 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.017 1.118 15.695 1.00 0.00 H new ATOM 0 HG LEU A 723 58.064 2.254 17.772 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.058 4.498 17.459 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.820 4.549 17.219 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.730 4.571 15.813 1.00 0.00 H new ATOM 0 HD21 LEU A 723 55.771 2.431 16.852 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.436 2.497 15.203 1.00 0.00 H new ATOM 0 HD23 LEU A 723 56.623 1.021 16.179 1.00 0.00 H new