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 -59:sc= 1.23 USER MOD Single : A 719 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.473 -5.201 -6.288 1.00 0.00 N ATOM 279 CA ALA A 701 44.773 -4.552 -6.431 1.00 0.00 C ATOM 280 C ALA A 701 45.631 -4.779 -5.190 1.00 0.00 C ATOM 281 O ALA A 701 46.787 -5.180 -5.299 1.00 0.00 O ATOM 282 CB ALA A 701 44.584 -3.051 -6.659 1.00 0.00 C ATOM 0 HA ALA A 701 45.282 -4.989 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.558 -2.574 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.001 -2.891 -7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.058 -2.617 -5.809 1.00 0.00 H new ATOM 288 N ILE A 702 45.007 -4.696 -4.018 1.00 0.00 N ATOM 289 CA ILE A 702 45.744 -4.790 -2.760 1.00 0.00 C ATOM 290 C ILE A 702 46.502 -6.113 -2.679 1.00 0.00 C ATOM 291 O ILE A 702 47.662 -6.146 -2.266 1.00 0.00 O ATOM 292 CB ILE A 702 44.781 -4.680 -1.570 1.00 0.00 C ATOM 293 CG1 ILE A 702 43.812 -3.503 -1.778 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.583 -4.468 -0.280 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.584 -2.244 -2.195 1.00 0.00 C ATOM 0 H ILE A 702 44.001 -4.565 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 702 46.459 -3.968 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 702 44.204 -5.602 -1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.079 -3.758 -2.543 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.260 -3.311 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.899 -4.390 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.255 -5.313 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.166 -3.551 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.885 -1.420 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.300 -1.981 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.116 -2.435 -3.127 1.00 0.00 H new ATOM 307 N ILE A 703 45.925 -7.145 -3.290 1.00 0.00 N ATOM 308 CA ILE A 703 46.544 -8.465 -3.301 1.00 0.00 C ATOM 309 C ILE A 703 47.724 -8.491 -4.271 1.00 0.00 C ATOM 310 O ILE A 703 48.836 -8.855 -3.889 1.00 0.00 O ATOM 311 CB ILE A 703 45.503 -9.522 -3.702 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.653 -9.897 -2.479 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.207 -10.776 -4.234 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.863 -8.675 -1.999 1.00 0.00 C ATOM 0 H ILE A 703 45.033 -7.092 -3.782 1.00 0.00 H new ATOM 0 HA ILE A 703 46.915 -8.691 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 703 44.862 -9.111 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.969 -10.706 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 703 45.295 -10.264 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.462 -11.520 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.806 -10.514 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.854 -11.186 -3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.262 -8.948 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.555 -7.879 -1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.209 -8.328 -2.799 1.00 0.00 H new ATOM 326 N GLY A 704 47.527 -7.891 -5.442 1.00 0.00 N ATOM 327 CA GLY A 704 48.561 -7.886 -6.472 1.00 0.00 C ATOM 328 C GLY A 704 49.673 -6.896 -6.127 1.00 0.00 C ATOM 329 O GLY A 704 50.853 -7.193 -6.314 1.00 0.00 O ATOM 0 H GLY A 704 46.668 -7.406 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 704 48.980 -8.887 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.120 -7.623 -7.434 1.00 0.00 H new ATOM 333 N LEU A 705 49.299 -5.816 -5.438 1.00 0.00 N ATOM 334 CA LEU A 705 50.273 -4.817 -4.998 1.00 0.00 C ATOM 335 C LEU A 705 51.225 -5.407 -3.960 1.00 0.00 C ATOM 336 O LEU A 705 52.386 -5.009 -3.882 1.00 0.00 O ATOM 337 CB LEU A 705 49.551 -3.606 -4.391 1.00 0.00 C ATOM 338 CG LEU A 705 48.764 -2.864 -5.477 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.781 -1.893 -4.817 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.725 -2.085 -6.379 1.00 0.00 C ATOM 0 H LEU A 705 48.335 -5.612 -5.174 1.00 0.00 H new ATOM 0 HA LEU A 705 50.849 -4.502 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.875 -3.934 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.275 -2.933 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 705 48.216 -3.587 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.220 -1.364 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.091 -2.449 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.332 -1.174 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.158 -1.561 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.280 -1.362 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.422 -2.777 -6.851 1.00 0.00 H new ATOM 352 N MET A 706 50.762 -6.436 -3.251 1.00 0.00 N ATOM 353 CA MET A 706 51.581 -7.077 -2.225 1.00 0.00 C ATOM 354 C MET A 706 52.855 -7.656 -2.837 1.00 0.00 C ATOM 355 O MET A 706 53.922 -7.614 -2.222 1.00 0.00 O ATOM 356 CB MET A 706 50.789 -8.196 -1.545 1.00 0.00 C ATOM 357 CG MET A 706 51.539 -8.666 -0.296 1.00 0.00 C ATOM 358 SD MET A 706 51.755 -10.461 -0.357 1.00 0.00 S ATOM 359 CE MET A 706 52.990 -10.577 0.961 1.00 0.00 C ATOM 0 H MET A 706 49.833 -6.840 -3.367 1.00 0.00 H new ATOM 0 HA MET A 706 51.855 -6.324 -1.486 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.796 -7.839 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.651 -9.029 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.510 -8.175 -0.236 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.985 -8.387 0.600 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.277 -11.619 1.100 1.00 0.00 H new ATOM 0 HE2 MET A 706 53.869 -9.992 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.569 -10.189 1.889 1.00 0.00 H new ATOM 369 N VAL A 707 52.759 -8.067 -4.099 1.00 0.00 N ATOM 370 CA VAL A 707 53.910 -8.618 -4.804 1.00 0.00 C ATOM 371 C VAL A 707 55.029 -7.583 -4.893 1.00 0.00 C ATOM 372 O VAL A 707 56.146 -7.828 -4.433 1.00 0.00 O ATOM 373 CB VAL A 707 53.498 -9.053 -6.215 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.714 -9.632 -6.948 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.396 -10.116 -6.129 1.00 0.00 C ATOM 0 H VAL A 707 51.902 -8.029 -4.650 1.00 0.00 H new ATOM 0 HA VAL A 707 54.274 -9.483 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 707 53.121 -8.189 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.421 -9.941 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.493 -8.873 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.093 -10.494 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.106 -10.422 -7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.767 -10.981 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.530 -9.702 -5.612 1.00 0.00 H new ATOM 385 N GLY A 708 54.666 -6.373 -5.308 1.00 0.00 N ATOM 386 CA GLY A 708 55.635 -5.284 -5.412 1.00 0.00 C ATOM 387 C GLY A 708 55.820 -4.585 -4.069 1.00 0.00 C ATOM 388 O GLY A 708 56.718 -3.757 -3.913 1.00 0.00 O ATOM 0 H GLY A 708 53.715 -6.122 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.592 -5.676 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.299 -4.563 -6.157 1.00 0.00 H new ATOM 392 N GLY A 709 55.049 -5.016 -3.071 1.00 0.00 N ATOM 393 CA GLY A 709 55.075 -4.374 -1.761 1.00 0.00 C ATOM 394 C GLY A 709 56.227 -4.905 -0.914 1.00 0.00 C ATOM 395 O GLY A 709 56.361 -4.547 0.256 1.00 0.00 O ATOM 0 H GLY A 709 54.403 -5.802 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.176 -3.295 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.130 -4.550 -1.247 1.00 0.00 H new ATOM 399 N VAL A 710 57.129 -5.651 -1.551 1.00 0.00 N ATOM 400 CA VAL A 710 58.220 -6.302 -0.832 1.00 0.00 C ATOM 401 C VAL A 710 59.268 -5.277 -0.407 1.00 0.00 C ATOM 402 O VAL A 710 59.649 -5.221 0.763 1.00 0.00 O ATOM 403 CB VAL A 710 58.867 -7.374 -1.721 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.405 -6.732 -3.005 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.020 -8.045 -0.964 1.00 0.00 C ATOM 0 H VAL A 710 57.125 -5.818 -2.557 1.00 0.00 H new ATOM 0 HA VAL A 710 57.813 -6.775 0.062 1.00 0.00 H new ATOM 0 HB VAL A 710 58.117 -8.122 -1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.863 -7.498 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.585 -6.262 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.150 -5.979 -2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.477 -8.805 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.766 -7.296 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.637 -8.511 -0.056 1.00 0.00 H new ATOM 415 N VAL A 711 59.591 -4.361 -1.315 1.00 0.00 N ATOM 416 CA VAL A 711 60.564 -3.313 -1.023 1.00 0.00 C ATOM 417 C VAL A 711 60.018 -2.362 0.037 1.00 0.00 C ATOM 418 O VAL A 711 60.655 -2.141 1.066 1.00 0.00 O ATOM 419 CB VAL A 711 60.892 -2.533 -2.303 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.579 -1.211 -1.946 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.825 -3.370 -3.185 1.00 0.00 C ATOM 0 H VAL A 711 59.196 -4.323 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 711 61.474 -3.777 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 711 59.968 -2.323 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.809 -0.662 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 711 60.915 -0.613 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.502 -1.416 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.059 -2.817 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.746 -3.582 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 711 61.334 -4.308 -3.446 1.00 0.00 H new ATOM 431 N ILE A 712 58.763 -1.958 -0.135 1.00 0.00 N ATOM 432 CA ILE A 712 58.132 -1.041 0.806 1.00 0.00 C ATOM 433 C ILE A 712 58.011 -1.686 2.182 1.00 0.00 C ATOM 434 O ILE A 712 58.330 -1.059 3.193 1.00 0.00 O ATOM 435 CB ILE A 712 56.742 -0.641 0.297 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.872 0.013 -1.084 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.104 0.350 1.277 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.499 0.080 -1.756 1.00 0.00 C ATOM 0 H ILE A 712 58.168 -2.249 -0.911 1.00 0.00 H new ATOM 0 HA ILE A 712 58.754 -0.150 0.890 1.00 0.00 H new ATOM 0 HB ILE A 712 56.114 -1.528 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.288 1.016 -0.984 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.563 -0.558 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.116 0.634 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.011 -0.117 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.731 1.238 1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.596 0.545 -2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.100 -0.928 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.821 0.670 -1.140 1.00 0.00 H new ATOM 450 N ALA A 713 57.774 -2.996 2.193 1.00 0.00 N ATOM 451 CA ALA A 713 57.686 -3.736 3.448 1.00 0.00 C ATOM 452 C ALA A 713 59.001 -3.644 4.217 1.00 0.00 C ATOM 453 O ALA A 713 59.042 -3.055 5.297 1.00 0.00 O ATOM 454 CB ALA A 713 57.348 -5.203 3.172 1.00 0.00 C ATOM 0 H ALA A 713 57.641 -3.562 1.355 1.00 0.00 H new ATOM 0 HA ALA A 713 56.894 -3.294 4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.285 -5.746 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.391 -5.265 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.127 -5.645 2.551 1.00 0.00 H new ATOM 460 N THR A 714 60.100 -3.953 3.531 1.00 0.00 N ATOM 461 CA THR A 714 61.416 -3.951 4.167 1.00 0.00 C ATOM 462 C THR A 714 61.777 -2.548 4.652 1.00 0.00 C ATOM 463 O THR A 714 62.213 -2.377 5.789 1.00 0.00 O ATOM 464 CB THR A 714 62.485 -4.443 3.182 1.00 0.00 C ATOM 465 OG1 THR A 714 62.621 -3.506 2.122 1.00 0.00 O ATOM 466 CG2 THR A 714 62.078 -5.807 2.612 1.00 0.00 C ATOM 0 H THR A 714 60.106 -4.206 2.543 1.00 0.00 H new ATOM 0 HA THR A 714 61.379 -4.624 5.024 1.00 0.00 H new ATOM 0 HB THR A 714 63.436 -4.542 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.762 -3.406 1.662 1.00 0.00 H new ATOM 0 HG21 THR A 714 62.840 -6.152 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 714 61.979 -6.526 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.125 -5.714 2.092 1.00 0.00 H new ATOM 474 N VAL A 715 61.382 -1.544 3.871 1.00 0.00 N ATOM 475 CA VAL A 715 61.654 -0.153 4.223 1.00 0.00 C ATOM 476 C VAL A 715 60.973 0.208 5.540 1.00 0.00 C ATOM 477 O VAL A 715 61.643 0.491 6.534 1.00 0.00 O ATOM 478 CB VAL A 715 61.145 0.775 3.111 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.423 2.234 3.486 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.855 0.441 1.793 1.00 0.00 C ATOM 0 H VAL A 715 60.875 -1.667 2.995 1.00 0.00 H new ATOM 0 HA VAL A 715 62.731 -0.029 4.337 1.00 0.00 H new ATOM 0 HB VAL A 715 60.071 0.632 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.060 2.889 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.911 2.474 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.496 2.379 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.491 1.102 1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.930 0.578 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.650 -0.594 1.521 1.00 0.00 H new ATOM 490 N ILE A 716 59.663 -0.015 5.590 1.00 0.00 N ATOM 491 CA ILE A 716 58.874 0.319 6.771 1.00 0.00 C ATOM 492 C ILE A 716 59.278 -0.568 7.949 1.00 0.00 C ATOM 493 O ILE A 716 59.523 -0.070 9.049 1.00 0.00 O ATOM 494 CB ILE A 716 57.379 0.141 6.455 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.803 1.457 5.917 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.613 -0.262 7.721 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.556 1.878 4.650 1.00 0.00 C ATOM 0 H ILE A 716 59.126 -0.426 4.826 1.00 0.00 H new ATOM 0 HA ILE A 716 59.061 1.357 7.045 1.00 0.00 H new ATOM 0 HB ILE A 716 57.272 -0.643 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.742 1.336 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.885 2.236 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.556 -0.385 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.011 -1.202 8.103 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.727 0.514 8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 716 57.141 2.813 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.612 2.017 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.451 1.103 3.890 1.00 0.00 H new ATOM 509 N VAL A 717 59.553 -1.836 7.653 1.00 0.00 N ATOM 510 CA VAL A 717 59.891 -2.805 8.691 1.00 0.00 C ATOM 511 C VAL A 717 61.225 -2.448 9.342 1.00 0.00 C ATOM 512 O VAL A 717 61.398 -2.604 10.551 1.00 0.00 O ATOM 513 CB VAL A 717 59.975 -4.210 8.080 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.551 -5.191 9.107 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.574 -4.674 7.664 1.00 0.00 C ATOM 0 H VAL A 717 59.548 -2.215 6.706 1.00 0.00 H new ATOM 0 HA VAL A 717 59.113 -2.785 9.454 1.00 0.00 H new ATOM 0 HB VAL A 717 60.625 -4.180 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.608 -6.187 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.549 -4.866 9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.906 -5.219 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.635 -5.672 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.924 -4.698 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.166 -3.982 6.927 1.00 0.00 H new ATOM 525 N ILE A 718 62.190 -2.054 8.515 1.00 0.00 N ATOM 526 CA ILE A 718 63.499 -1.652 9.015 1.00 0.00 C ATOM 527 C ILE A 718 63.373 -0.429 9.923 1.00 0.00 C ATOM 528 O ILE A 718 64.089 -0.312 10.918 1.00 0.00 O ATOM 529 CB ILE A 718 64.430 -1.334 7.836 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.885 -2.644 7.179 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.657 -0.561 8.334 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.442 -2.354 5.781 1.00 0.00 C ATOM 0 H ILE A 718 62.090 -2.005 7.501 1.00 0.00 H new ATOM 0 HA ILE A 718 63.919 -2.474 9.595 1.00 0.00 H new ATOM 0 HB ILE A 718 63.893 -0.725 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.647 -3.124 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.047 -3.338 7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.313 -0.339 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.336 0.371 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.196 -1.165 9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.764 -3.286 5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.667 -1.893 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.292 -1.676 5.861 1.00 0.00 H new ATOM 544 N THR A 719 62.367 0.400 9.655 1.00 0.00 N ATOM 545 CA THR A 719 62.089 1.553 10.505 1.00 0.00 C ATOM 546 C THR A 719 61.493 1.106 11.835 1.00 0.00 C ATOM 547 O THR A 719 61.854 1.625 12.892 1.00 0.00 O ATOM 548 CB THR A 719 61.115 2.505 9.803 1.00 0.00 C ATOM 549 OG1 THR A 719 61.251 2.377 8.395 1.00 0.00 O ATOM 550 CG2 THR A 719 61.423 3.948 10.214 1.00 0.00 C ATOM 0 H THR A 719 61.735 0.296 8.861 1.00 0.00 H new ATOM 0 HA THR A 719 63.029 2.072 10.694 1.00 0.00 H new ATOM 0 HB THR A 719 60.095 2.253 10.093 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.626 2.986 7.949 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.730 4.625 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.314 4.050 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.444 4.198 9.927 1.00 0.00 H new ATOM 558 N LEU A 720 60.694 0.042 11.785 1.00 0.00 N ATOM 559 CA LEU A 720 60.022 -0.458 12.979 1.00 0.00 C ATOM 560 C LEU A 720 61.041 -0.985 13.985 1.00 0.00 C ATOM 561 O LEU A 720 60.848 -0.865 15.196 1.00 0.00 O ATOM 562 CB LEU A 720 59.051 -1.585 12.596 1.00 0.00 C ATOM 563 CG LEU A 720 57.600 -1.085 12.660 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.229 -0.741 14.108 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.435 0.158 11.774 1.00 0.00 C ATOM 0 H LEU A 720 60.498 -0.487 10.935 1.00 0.00 H new ATOM 0 HA LEU A 720 59.468 0.363 13.435 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.276 -1.942 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.181 -2.431 13.271 1.00 0.00 H new ATOM 0 HG LEU A 720 56.938 -1.872 12.298 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.199 -0.387 14.145 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.330 -1.630 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.894 0.039 14.479 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.403 0.507 11.825 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.102 0.946 12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.682 -0.095 10.743 1.00 0.00 H new ATOM 577 N VAL A 721 62.154 -1.508 13.473 1.00 0.00 N ATOM 578 CA VAL A 721 63.247 -1.952 14.333 1.00 0.00 C ATOM 579 C VAL A 721 63.796 -0.783 15.147 1.00 0.00 C ATOM 580 O VAL A 721 63.964 -0.894 16.362 1.00 0.00 O ATOM 581 CB VAL A 721 64.370 -2.563 13.482 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.598 -2.825 14.362 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.891 -3.884 12.869 1.00 0.00 C ATOM 0 H VAL A 721 62.321 -1.634 12.475 1.00 0.00 H new ATOM 0 HA VAL A 721 62.862 -2.707 15.018 1.00 0.00 H new ATOM 0 HB VAL A 721 64.636 -1.868 12.685 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.394 -3.259 13.756 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.942 -1.886 14.795 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.332 -3.517 15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.689 -4.316 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.622 -4.578 13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.020 -3.699 12.240 1.00 0.00 H new ATOM 593 N MET A 722 63.863 0.385 14.515 1.00 0.00 N ATOM 594 CA MET A 722 64.474 1.551 15.146 1.00 0.00 C ATOM 595 C MET A 722 63.530 2.157 16.181 1.00 0.00 C ATOM 596 O MET A 722 63.975 2.692 17.198 1.00 0.00 O ATOM 597 CB MET A 722 64.814 2.602 14.086 1.00 0.00 C ATOM 598 CG MET A 722 65.790 2.009 13.066 1.00 0.00 C ATOM 599 SD MET A 722 67.338 1.571 13.896 1.00 0.00 S ATOM 600 CE MET A 722 68.440 2.613 12.908 1.00 0.00 C ATOM 0 H MET A 722 63.505 0.549 13.574 1.00 0.00 H new ATOM 0 HA MET A 722 65.388 1.232 15.647 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.905 2.933 13.584 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.255 3.480 14.558 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.353 1.126 12.599 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.983 2.728 12.270 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.465 2.493 13.259 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.378 2.317 11.861 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.141 3.656 13.009 1.00 0.00 H new ATOM 610 N LEU A 723 62.226 1.979 15.962 1.00 0.00 N ATOM 611 CA LEU A 723 61.221 2.476 16.900 1.00 0.00 C ATOM 612 C LEU A 723 61.340 1.768 18.246 1.00 0.00 C ATOM 613 O LEU A 723 60.812 2.246 19.249 1.00 0.00 O ATOM 614 CB LEU A 723 59.814 2.254 16.336 1.00 0.00 C ATOM 615 CG LEU A 723 59.583 3.177 15.133 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.211 2.881 14.525 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.638 4.639 15.583 1.00 0.00 C ATOM 0 H LEU A 723 61.844 1.497 15.148 1.00 0.00 H new ATOM 0 HA LEU A 723 61.393 3.543 17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.693 1.213 16.036 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.068 2.452 17.106 1.00 0.00 H new ATOM 0 HG LEU A 723 60.360 3.002 14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.043 3.535 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.174 1.841 14.199 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.437 3.055 15.272 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.473 5.290 14.725 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.864 4.819 16.329 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.616 4.850 16.016 1.00 0.00 H new