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 -2:sc= 0.712 USER MOD Single : A 719 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.839 -4.714 -7.047 1.00 0.00 N ATOM 279 CA ALA A 701 45.166 -4.117 -6.946 1.00 0.00 C ATOM 280 C ALA A 701 45.865 -4.557 -5.661 1.00 0.00 C ATOM 281 O ALA A 701 47.088 -4.467 -5.554 1.00 0.00 O ATOM 282 CB ALA A 701 45.054 -2.590 -6.972 1.00 0.00 C ATOM 0 HA ALA A 701 45.758 -4.455 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.049 -2.151 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.589 -2.275 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.445 -2.256 -6.132 1.00 0.00 H new ATOM 288 N ILE A 702 45.098 -5.135 -4.735 1.00 0.00 N ATOM 289 CA ILE A 702 45.671 -5.658 -3.497 1.00 0.00 C ATOM 290 C ILE A 702 46.749 -6.694 -3.802 1.00 0.00 C ATOM 291 O ILE A 702 47.840 -6.647 -3.235 1.00 0.00 O ATOM 292 CB ILE A 702 44.572 -6.295 -2.634 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.112 -6.538 -1.218 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.133 -7.629 -3.253 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.052 -7.253 -0.374 1.00 0.00 C ATOM 0 H ILE A 702 44.088 -5.251 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 702 46.123 -4.830 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 702 43.715 -5.623 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.020 -7.139 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.381 -5.589 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.353 -8.077 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.747 -7.454 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.987 -8.304 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.440 -7.423 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.155 -6.636 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.805 -8.210 -0.834 1.00 0.00 H new ATOM 307 N ILE A 703 46.504 -7.493 -4.838 1.00 0.00 N ATOM 308 CA ILE A 703 47.427 -8.561 -5.209 1.00 0.00 C ATOM 309 C ILE A 703 48.720 -7.974 -5.764 1.00 0.00 C ATOM 310 O ILE A 703 49.812 -8.373 -5.360 1.00 0.00 O ATOM 311 CB ILE A 703 46.784 -9.468 -6.265 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.371 -9.864 -5.818 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.642 -10.726 -6.447 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.767 -10.849 -6.824 1.00 0.00 C ATOM 0 H ILE A 703 45.678 -7.421 -5.432 1.00 0.00 H new ATOM 0 HA ILE A 703 47.654 -9.147 -4.318 1.00 0.00 H new ATOM 0 HB ILE A 703 46.721 -8.933 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.406 -10.317 -4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.742 -8.977 -5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.186 -11.372 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.642 -10.440 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.708 -11.261 -5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.763 -11.128 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.716 -10.380 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.391 -11.741 -6.879 1.00 0.00 H new ATOM 326 N GLY A 704 48.584 -6.897 -6.533 1.00 0.00 N ATOM 327 CA GLY A 704 49.746 -6.196 -7.066 1.00 0.00 C ATOM 328 C GLY A 704 50.516 -5.500 -5.948 1.00 0.00 C ATOM 329 O GLY A 704 51.723 -5.697 -5.799 1.00 0.00 O ATOM 0 H GLY A 704 47.686 -6.493 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.399 -6.902 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.426 -5.462 -7.806 1.00 0.00 H new ATOM 333 N LEU A 705 49.778 -4.819 -5.073 1.00 0.00 N ATOM 334 CA LEU A 705 50.387 -4.085 -3.968 1.00 0.00 C ATOM 335 C LEU A 705 51.029 -5.045 -2.972 1.00 0.00 C ATOM 336 O LEU A 705 51.949 -4.669 -2.246 1.00 0.00 O ATOM 337 CB LEU A 705 49.322 -3.247 -3.252 1.00 0.00 C ATOM 338 CG LEU A 705 48.807 -2.147 -4.188 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.611 -1.447 -3.538 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.918 -1.126 -4.445 1.00 0.00 C ATOM 0 H LEU A 705 48.760 -4.761 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 705 51.159 -3.431 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.496 -3.885 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.743 -2.802 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 705 48.501 -2.591 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.243 -0.664 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.818 -2.173 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 705 47.919 -1.004 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.548 -0.346 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.228 -0.680 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.770 -1.624 -4.908 1.00 0.00 H new ATOM 352 N MET A 706 50.476 -6.253 -2.879 1.00 0.00 N ATOM 353 CA MET A 706 50.999 -7.257 -1.957 1.00 0.00 C ATOM 354 C MET A 706 52.348 -7.777 -2.443 1.00 0.00 C ATOM 355 O MET A 706 53.361 -7.614 -1.762 1.00 0.00 O ATOM 356 CB MET A 706 50.013 -8.423 -1.833 1.00 0.00 C ATOM 357 CG MET A 706 49.010 -8.132 -0.712 1.00 0.00 C ATOM 358 SD MET A 706 49.753 -8.549 0.887 1.00 0.00 S ATOM 359 CE MET A 706 48.927 -7.266 1.860 1.00 0.00 C ATOM 0 H MET A 706 49.672 -6.558 -3.427 1.00 0.00 H new ATOM 0 HA MET A 706 51.131 -6.791 -0.980 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.487 -8.569 -2.776 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.552 -9.347 -1.622 1.00 0.00 H new ATOM 0 HG2 MET A 706 48.724 -7.080 -0.729 1.00 0.00 H new ATOM 0 HG3 MET A 706 48.100 -8.712 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.244 -7.338 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.191 -6.284 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.847 -7.402 1.800 1.00 0.00 H new ATOM 369 N VAL A 707 52.388 -8.191 -3.707 1.00 0.00 N ATOM 370 CA VAL A 707 53.606 -8.753 -4.281 1.00 0.00 C ATOM 371 C VAL A 707 54.666 -7.668 -4.456 1.00 0.00 C ATOM 372 O VAL A 707 55.821 -7.853 -4.070 1.00 0.00 O ATOM 373 CB VAL A 707 53.301 -9.400 -5.638 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.579 -10.032 -6.199 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.227 -10.483 -5.468 1.00 0.00 C ATOM 0 H VAL A 707 51.597 -8.148 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 707 53.988 -9.512 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 707 52.936 -8.638 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.364 -10.492 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.340 -9.262 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.943 -10.792 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.014 -10.939 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.586 -11.246 -4.778 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.317 -10.034 -5.071 1.00 0.00 H new ATOM 385 N GLY A 708 54.228 -6.487 -4.887 1.00 0.00 N ATOM 386 CA GLY A 708 55.137 -5.356 -5.050 1.00 0.00 C ATOM 387 C GLY A 708 55.451 -4.704 -3.705 1.00 0.00 C ATOM 388 O GLY A 708 56.330 -3.847 -3.613 1.00 0.00 O ATOM 0 H GLY A 708 53.257 -6.289 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.061 -5.693 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.691 -4.620 -5.719 1.00 0.00 H new ATOM 392 N GLY A 709 54.764 -5.156 -2.656 1.00 0.00 N ATOM 393 CA GLY A 709 54.860 -4.509 -1.351 1.00 0.00 C ATOM 394 C GLY A 709 56.078 -5.007 -0.580 1.00 0.00 C ATOM 395 O GLY A 709 56.326 -4.579 0.548 1.00 0.00 O ATOM 0 H GLY A 709 54.140 -5.962 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 709 54.925 -3.429 -1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 709 53.956 -4.707 -0.776 1.00 0.00 H new ATOM 399 N VAL A 710 56.889 -5.834 -1.237 1.00 0.00 N ATOM 400 CA VAL A 710 58.023 -6.472 -0.575 1.00 0.00 C ATOM 401 C VAL A 710 59.106 -5.447 -0.254 1.00 0.00 C ATOM 402 O VAL A 710 59.683 -5.464 0.834 1.00 0.00 O ATOM 403 CB VAL A 710 58.605 -7.573 -1.472 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.574 -8.695 -1.640 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.962 -6.991 -2.846 1.00 0.00 C ATOM 0 H VAL A 710 56.782 -6.077 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 710 57.671 -6.913 0.357 1.00 0.00 H new ATOM 0 HB VAL A 710 59.506 -7.974 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 710 57.988 -9.477 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.330 -9.114 -0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.671 -8.293 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.375 -7.777 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.065 -6.583 -3.313 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.700 -6.198 -2.725 1.00 0.00 H new ATOM 415 N VAL A 711 59.265 -4.468 -1.141 1.00 0.00 N ATOM 416 CA VAL A 711 60.285 -3.441 -0.959 1.00 0.00 C ATOM 417 C VAL A 711 59.825 -2.412 0.069 1.00 0.00 C ATOM 418 O VAL A 711 60.564 -2.088 0.999 1.00 0.00 O ATOM 419 CB VAL A 711 60.573 -2.743 -2.294 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.859 -1.919 -2.174 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.741 -3.794 -3.398 1.00 0.00 C ATOM 0 H VAL A 711 58.705 -4.365 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 711 61.196 -3.918 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 711 59.741 -2.084 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.063 -1.423 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.739 -1.170 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.691 -2.577 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.946 -3.296 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.571 -4.454 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 711 59.826 -4.379 -3.486 1.00 0.00 H new ATOM 431 N ILE A 712 58.534 -2.093 0.032 1.00 0.00 N ATOM 432 CA ILE A 712 57.953 -1.174 1.005 1.00 0.00 C ATOM 433 C ILE A 712 57.932 -1.809 2.394 1.00 0.00 C ATOM 434 O ILE A 712 58.243 -1.149 3.385 1.00 0.00 O ATOM 435 CB ILE A 712 56.526 -0.799 0.585 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.567 -0.063 -0.761 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.900 0.110 1.649 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.179 -0.088 -1.408 1.00 0.00 C ATOM 0 H ILE A 712 57.874 -2.455 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 712 58.566 -0.274 1.040 1.00 0.00 H new ATOM 0 HB ILE A 712 55.927 -1.704 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.891 0.967 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.295 -0.534 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.886 0.376 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.871 -0.415 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.498 1.016 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.213 0.436 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.872 -1.121 -1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.462 0.404 -0.750 1.00 0.00 H new ATOM 450 N ALA A 713 57.764 -3.129 2.432 1.00 0.00 N ATOM 451 CA ALA A 713 57.771 -3.855 3.697 1.00 0.00 C ATOM 452 C ALA A 713 59.099 -3.657 4.421 1.00 0.00 C ATOM 453 O ALA A 713 59.141 -3.011 5.467 1.00 0.00 O ATOM 454 CB ALA A 713 57.538 -5.348 3.448 1.00 0.00 C ATOM 0 H ALA A 713 57.622 -3.713 1.608 1.00 0.00 H new ATOM 0 HA ALA A 713 56.968 -3.464 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.545 -5.881 4.399 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.574 -5.489 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.329 -5.738 2.808 1.00 0.00 H new ATOM 460 N THR A 714 60.189 -3.937 3.708 1.00 0.00 N ATOM 461 CA THR A 714 61.520 -3.893 4.308 1.00 0.00 C ATOM 462 C THR A 714 61.867 -2.472 4.746 1.00 0.00 C ATOM 463 O THR A 714 62.441 -2.273 5.816 1.00 0.00 O ATOM 464 CB THR A 714 62.563 -4.388 3.300 1.00 0.00 C ATOM 465 OG1 THR A 714 62.423 -3.673 2.080 1.00 0.00 O ATOM 466 CG2 THR A 714 62.356 -5.883 3.040 1.00 0.00 C ATOM 0 H THR A 714 60.177 -4.195 2.721 1.00 0.00 H new ATOM 0 HA THR A 714 61.524 -4.541 5.185 1.00 0.00 H new ATOM 0 HB THR A 714 63.562 -4.224 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.666 -3.054 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.098 -6.234 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.466 -6.433 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.357 -6.047 2.637 1.00 0.00 H new ATOM 474 N VAL A 715 61.329 -1.493 4.024 1.00 0.00 N ATOM 475 CA VAL A 715 61.571 -0.090 4.344 1.00 0.00 C ATOM 476 C VAL A 715 60.900 0.279 5.665 1.00 0.00 C ATOM 477 O VAL A 715 61.577 0.647 6.626 1.00 0.00 O ATOM 478 CB VAL A 715 61.027 0.799 3.219 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.201 2.276 3.592 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.787 0.505 1.921 1.00 0.00 C ATOM 0 H VAL A 715 60.725 -1.645 3.216 1.00 0.00 H new ATOM 0 HA VAL A 715 62.645 0.067 4.442 1.00 0.00 H new ATOM 0 HB VAL A 715 59.967 0.588 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.813 2.902 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.655 2.486 4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.259 2.491 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.400 1.137 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.847 0.711 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.655 -0.543 1.651 1.00 0.00 H new ATOM 490 N ILE A 716 59.622 -0.073 5.777 1.00 0.00 N ATOM 491 CA ILE A 716 58.852 0.230 6.979 1.00 0.00 C ATOM 492 C ILE A 716 59.323 -0.640 8.145 1.00 0.00 C ATOM 493 O ILE A 716 59.447 -0.162 9.273 1.00 0.00 O ATOM 494 CB ILE A 716 57.356 -0.008 6.704 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.714 1.283 6.177 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.642 -0.432 7.993 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.408 1.727 4.886 1.00 0.00 C ATOM 0 H ILE A 716 59.100 -0.566 5.053 1.00 0.00 H new ATOM 0 HA ILE A 716 59.005 1.275 7.248 1.00 0.00 H new ATOM 0 HB ILE A 716 57.259 -0.799 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.652 1.121 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.789 2.069 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.585 -0.597 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.087 -1.353 8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.746 0.353 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.945 2.644 4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.464 1.908 5.085 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.309 0.945 4.133 1.00 0.00 H new ATOM 509 N VAL A 717 59.730 -1.869 7.832 1.00 0.00 N ATOM 510 CA VAL A 717 60.150 -2.815 8.862 1.00 0.00 C ATOM 511 C VAL A 717 61.504 -2.410 9.437 1.00 0.00 C ATOM 512 O VAL A 717 61.726 -2.498 10.645 1.00 0.00 O ATOM 513 CB VAL A 717 60.243 -4.227 8.267 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.857 -5.183 9.296 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.841 -4.718 7.888 1.00 0.00 C ATOM 0 H VAL A 717 59.778 -2.231 6.879 1.00 0.00 H new ATOM 0 HA VAL A 717 59.411 -2.808 9.663 1.00 0.00 H new ATOM 0 HB VAL A 717 60.873 -4.201 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.921 -6.184 8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.856 -4.838 9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.231 -5.208 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.908 -5.721 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.211 -4.740 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.406 -4.043 7.151 1.00 0.00 H new ATOM 525 N ILE A 718 62.435 -2.067 8.550 1.00 0.00 N ATOM 526 CA ILE A 718 63.730 -1.544 8.972 1.00 0.00 C ATOM 527 C ILE A 718 63.546 -0.338 9.890 1.00 0.00 C ATOM 528 O ILE A 718 64.154 -0.266 10.958 1.00 0.00 O ATOM 529 CB ILE A 718 64.555 -1.143 7.738 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.151 -2.400 7.085 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.683 -0.186 8.148 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.356 -2.899 7.892 1.00 0.00 C ATOM 0 H ILE A 718 62.317 -2.142 7.540 1.00 0.00 H new ATOM 0 HA ILE A 718 64.260 -2.321 9.523 1.00 0.00 H new ATOM 0 HB ILE A 718 63.905 -0.638 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.394 -3.182 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.457 -2.177 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.262 0.093 7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.255 0.709 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.334 -0.679 8.869 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.768 -3.790 7.418 1.00 0.00 H new ATOM 0 HD12 ILE A 718 67.118 -2.121 7.926 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.039 -3.142 8.906 1.00 0.00 H new ATOM 544 N THR A 719 62.595 0.525 9.540 1.00 0.00 N ATOM 545 CA THR A 719 62.302 1.698 10.358 1.00 0.00 C ATOM 546 C THR A 719 61.736 1.279 11.711 1.00 0.00 C ATOM 547 O THR A 719 62.131 1.812 12.748 1.00 0.00 O ATOM 548 CB THR A 719 61.293 2.600 9.640 1.00 0.00 C ATOM 549 OG1 THR A 719 61.708 2.801 8.298 1.00 0.00 O ATOM 550 CG2 THR A 719 61.209 3.952 10.357 1.00 0.00 C ATOM 0 H THR A 719 62.019 0.435 8.703 1.00 0.00 H new ATOM 0 HA THR A 719 63.231 2.246 10.517 1.00 0.00 H new ATOM 0 HB THR A 719 60.312 2.124 9.650 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.471 2.016 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.491 4.592 9.844 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.887 3.798 11.387 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.189 4.429 10.350 1.00 0.00 H new ATOM 558 N LEU A 720 60.937 0.216 11.702 1.00 0.00 N ATOM 559 CA LEU A 720 60.267 -0.240 12.914 1.00 0.00 C ATOM 560 C LEU A 720 61.286 -0.719 13.944 1.00 0.00 C ATOM 561 O LEU A 720 61.008 -0.735 15.143 1.00 0.00 O ATOM 562 CB LEU A 720 59.304 -1.384 12.576 1.00 0.00 C ATOM 563 CG LEU A 720 57.868 -0.971 12.918 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.896 -2.041 12.410 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.719 -0.820 14.438 1.00 0.00 C ATOM 0 H LEU A 720 60.739 -0.343 10.872 1.00 0.00 H new ATOM 0 HA LEU A 720 59.709 0.596 13.335 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.378 -1.634 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.578 -2.279 13.134 1.00 0.00 H new ATOM 0 HG LEU A 720 57.643 -0.018 12.440 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.874 -1.749 12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.998 -2.142 11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.123 -2.995 12.886 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.697 -0.526 14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.946 -1.770 14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.409 -0.056 14.797 1.00 0.00 H new ATOM 577 N VAL A 721 62.423 -1.212 13.457 1.00 0.00 N ATOM 578 CA VAL A 721 63.498 -1.654 14.340 1.00 0.00 C ATOM 579 C VAL A 721 63.960 -0.505 15.233 1.00 0.00 C ATOM 580 O VAL A 721 63.892 -0.603 16.459 1.00 0.00 O ATOM 581 CB VAL A 721 64.680 -2.172 13.509 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.822 -2.588 14.442 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.236 -3.380 12.675 1.00 0.00 C ATOM 0 H VAL A 721 62.622 -1.315 12.462 1.00 0.00 H new ATOM 0 HA VAL A 721 63.121 -2.460 14.970 1.00 0.00 H new ATOM 0 HB VAL A 721 65.025 -1.380 12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.660 -2.955 13.850 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.143 -1.728 15.030 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.477 -3.377 15.111 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.078 -3.745 12.086 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.887 -4.171 13.338 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.428 -3.083 12.007 1.00 0.00 H new ATOM 593 N MET A 722 64.186 0.652 14.613 1.00 0.00 N ATOM 594 CA MET A 722 64.698 1.813 15.336 1.00 0.00 C ATOM 595 C MET A 722 63.584 2.473 16.144 1.00 0.00 C ATOM 596 O MET A 722 63.829 3.026 17.217 1.00 0.00 O ATOM 597 CB MET A 722 65.284 2.829 14.348 1.00 0.00 C ATOM 598 CG MET A 722 66.590 2.286 13.757 1.00 0.00 C ATOM 599 SD MET A 722 67.402 3.593 12.799 1.00 0.00 S ATOM 600 CE MET A 722 68.864 2.651 12.295 1.00 0.00 C ATOM 0 H MET A 722 64.024 0.809 13.618 1.00 0.00 H new ATOM 0 HA MET A 722 65.479 1.477 16.018 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.569 3.028 13.550 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.469 3.776 14.854 1.00 0.00 H new ATOM 0 HG2 MET A 722 67.248 1.941 14.555 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.384 1.426 13.120 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.510 3.281 11.684 1.00 0.00 H new ATOM 0 HE2 MET A 722 69.409 2.323 13.180 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.554 1.781 11.716 1.00 0.00 H new ATOM 610 N LEU A 723 62.353 2.352 15.651 1.00 0.00 N ATOM 611 CA LEU A 723 61.194 2.888 16.360 1.00 0.00 C ATOM 612 C LEU A 723 60.771 1.954 17.489 1.00 0.00 C ATOM 613 O LEU A 723 60.237 2.413 18.500 1.00 0.00 O ATOM 614 CB LEU A 723 60.026 3.074 15.387 1.00 0.00 C ATOM 615 CG LEU A 723 60.405 4.102 14.313 1.00 0.00 C ATOM 616 CD1 LEU A 723 59.294 4.166 13.261 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.583 5.480 14.955 1.00 0.00 C ATOM 0 H LEU A 723 62.133 1.890 14.768 1.00 0.00 H new ATOM 0 HA LEU A 723 61.471 3.852 16.787 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.774 2.122 14.920 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.140 3.408 15.927 1.00 0.00 H new ATOM 0 HG LEU A 723 61.341 3.805 13.840 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.559 4.895 12.496 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.172 3.185 12.801 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.359 4.463 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.852 6.207 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.650 5.783 15.431 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.374 5.433 15.704 1.00 0.00 H new