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 -23:sc= 0.983 USER MOD Single : A 719 THR OG1 : rot 14:sc= 0.701 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.859 -4.654 -6.824 1.00 0.00 N ATOM 279 CA ALA A 701 45.193 -4.078 -6.701 1.00 0.00 C ATOM 280 C ALA A 701 45.869 -4.543 -5.413 1.00 0.00 C ATOM 281 O ALA A 701 47.078 -4.381 -5.247 1.00 0.00 O ATOM 282 CB ALA A 701 45.104 -2.551 -6.707 1.00 0.00 C ATOM 0 HA ALA A 701 45.789 -4.414 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.104 -2.128 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.653 -2.216 -7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.491 -2.219 -5.869 1.00 0.00 H new ATOM 288 N ILE A 702 45.072 -5.066 -4.483 1.00 0.00 N ATOM 289 CA ILE A 702 45.616 -5.613 -3.242 1.00 0.00 C ATOM 290 C ILE A 702 46.661 -6.683 -3.540 1.00 0.00 C ATOM 291 O ILE A 702 47.720 -6.715 -2.914 1.00 0.00 O ATOM 292 CB ILE A 702 44.488 -6.217 -2.396 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.004 -6.483 -0.977 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.014 -7.533 -3.025 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.843 -6.918 -0.078 1.00 0.00 C ATOM 0 H ILE A 702 44.057 -5.122 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 702 46.091 -4.803 -2.688 1.00 0.00 H new ATOM 0 HB ILE A 702 43.652 -5.518 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.770 -7.258 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.471 -5.584 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.213 -7.958 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.646 -7.343 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.846 -8.235 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.214 -7.106 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.092 -6.129 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.396 -7.829 -0.476 1.00 0.00 H new ATOM 307 N ILE A 703 46.413 -7.466 -4.586 1.00 0.00 N ATOM 308 CA ILE A 703 47.321 -8.544 -4.959 1.00 0.00 C ATOM 309 C ILE A 703 48.630 -7.972 -5.495 1.00 0.00 C ATOM 310 O ILE A 703 49.711 -8.384 -5.075 1.00 0.00 O ATOM 311 CB ILE A 703 46.669 -9.429 -6.028 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.244 -9.797 -5.594 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.496 -10.706 -6.212 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.644 -10.797 -6.588 1.00 0.00 C ATOM 0 H ILE A 703 45.594 -7.374 -5.188 1.00 0.00 H new ATOM 0 HA ILE A 703 47.533 -9.144 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 703 46.629 -8.885 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.258 -10.228 -4.593 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.625 -8.901 -5.546 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.031 -11.334 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.506 -10.443 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.540 -11.250 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.632 -11.056 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.615 -10.350 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.258 -11.697 -6.614 1.00 0.00 H new ATOM 326 N GLY A 704 48.519 -6.900 -6.275 1.00 0.00 N ATOM 327 CA GLY A 704 49.697 -6.195 -6.763 1.00 0.00 C ATOM 328 C GLY A 704 50.455 -5.540 -5.611 1.00 0.00 C ATOM 329 O GLY A 704 51.657 -5.751 -5.447 1.00 0.00 O ATOM 0 H GLY A 704 47.630 -6.504 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.352 -6.892 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.398 -5.436 -7.486 1.00 0.00 H new ATOM 333 N LEU A 705 49.755 -4.690 -4.858 1.00 0.00 N ATOM 334 CA LEU A 705 50.362 -3.992 -3.725 1.00 0.00 C ATOM 335 C LEU A 705 50.959 -4.985 -2.733 1.00 0.00 C ATOM 336 O LEU A 705 52.019 -4.735 -2.160 1.00 0.00 O ATOM 337 CB LEU A 705 49.312 -3.132 -3.009 1.00 0.00 C ATOM 338 CG LEU A 705 48.879 -1.966 -3.905 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.692 -1.244 -3.257 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.041 -0.983 -4.078 1.00 0.00 C ATOM 0 H LEU A 705 48.771 -4.469 -5.012 1.00 0.00 H new ATOM 0 HA LEU A 705 51.158 -3.354 -4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.446 -3.742 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.722 -2.749 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 705 48.587 -2.351 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.381 -0.414 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.862 -1.941 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 705 47.988 -0.863 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.727 -0.157 -4.716 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.339 -0.596 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.886 -1.496 -4.538 1.00 0.00 H new ATOM 352 N MET A 706 50.293 -6.123 -2.562 1.00 0.00 N ATOM 353 CA MET A 706 50.749 -7.132 -1.611 1.00 0.00 C ATOM 354 C MET A 706 52.110 -7.678 -2.027 1.00 0.00 C ATOM 355 O MET A 706 53.100 -7.494 -1.317 1.00 0.00 O ATOM 356 CB MET A 706 49.735 -8.279 -1.536 1.00 0.00 C ATOM 357 CG MET A 706 50.290 -9.393 -0.644 1.00 0.00 C ATOM 358 SD MET A 706 48.931 -10.443 -0.067 1.00 0.00 S ATOM 359 CE MET A 706 49.050 -11.712 -1.353 1.00 0.00 C ATOM 0 H MET A 706 49.441 -6.369 -3.066 1.00 0.00 H new ATOM 0 HA MET A 706 50.840 -6.667 -0.630 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.788 -7.916 -1.136 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.532 -8.665 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.014 -9.990 -1.198 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.817 -8.962 0.207 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.288 -12.473 -1.185 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.897 -11.255 -2.331 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.037 -12.174 -1.318 1.00 0.00 H new ATOM 369 N VAL A 707 52.188 -8.163 -3.264 1.00 0.00 N ATOM 370 CA VAL A 707 53.416 -8.780 -3.759 1.00 0.00 C ATOM 371 C VAL A 707 54.486 -7.718 -3.994 1.00 0.00 C ATOM 372 O VAL A 707 55.612 -7.847 -3.513 1.00 0.00 O ATOM 373 CB VAL A 707 53.139 -9.531 -5.067 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.426 -10.205 -5.555 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.061 -10.597 -4.835 1.00 0.00 C ATOM 0 H VAL A 707 51.422 -8.141 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 707 53.775 -9.485 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 707 52.791 -8.823 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.227 -10.738 -6.485 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.191 -9.448 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.777 -10.909 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.868 -11.128 -5.767 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.405 -11.304 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.143 -10.118 -4.493 1.00 0.00 H new ATOM 385 N GLY A 708 54.077 -6.602 -4.594 1.00 0.00 N ATOM 386 CA GLY A 708 54.999 -5.502 -4.858 1.00 0.00 C ATOM 387 C GLY A 708 55.364 -4.769 -3.568 1.00 0.00 C ATOM 388 O GLY A 708 56.253 -3.916 -3.562 1.00 0.00 O ATOM 0 H GLY A 708 53.119 -6.437 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.903 -5.887 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.545 -4.804 -5.561 1.00 0.00 H new ATOM 392 N GLY A 709 54.729 -5.164 -2.466 1.00 0.00 N ATOM 393 CA GLY A 709 54.990 -4.536 -1.174 1.00 0.00 C ATOM 394 C GLY A 709 56.208 -5.158 -0.497 1.00 0.00 C ATOM 395 O GLY A 709 56.436 -4.952 0.695 1.00 0.00 O ATOM 0 H GLY A 709 54.035 -5.911 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.153 -3.467 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.117 -4.645 -0.530 1.00 0.00 H new ATOM 399 N VAL A 710 57.009 -5.885 -1.274 1.00 0.00 N ATOM 400 CA VAL A 710 58.237 -6.481 -0.753 1.00 0.00 C ATOM 401 C VAL A 710 59.278 -5.402 -0.468 1.00 0.00 C ATOM 402 O VAL A 710 59.972 -5.450 0.547 1.00 0.00 O ATOM 403 CB VAL A 710 58.796 -7.490 -1.765 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.204 -7.926 -1.341 1.00 0.00 C ATOM 405 CG2 VAL A 710 57.879 -8.718 -1.825 1.00 0.00 C ATOM 0 H VAL A 710 56.831 -6.075 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 710 58.005 -6.995 0.180 1.00 0.00 H new ATOM 0 HB VAL A 710 58.844 -7.022 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.596 -8.642 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.858 -7.055 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.160 -8.391 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.277 -9.434 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.828 -9.183 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 710 56.880 -8.411 -2.133 1.00 0.00 H new ATOM 415 N VAL A 711 59.469 -4.506 -1.431 1.00 0.00 N ATOM 416 CA VAL A 711 60.432 -3.421 -1.276 1.00 0.00 C ATOM 417 C VAL A 711 60.006 -2.481 -0.150 1.00 0.00 C ATOM 418 O VAL A 711 60.776 -2.233 0.777 1.00 0.00 O ATOM 419 CB VAL A 711 60.563 -2.629 -2.586 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.681 -3.239 -3.437 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.242 -2.681 -3.362 1.00 0.00 C ATOM 0 H VAL A 711 58.973 -4.509 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 711 61.398 -3.859 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 711 60.801 -1.590 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.777 -2.679 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.622 -3.194 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.441 -4.278 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.342 -2.117 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 711 58.996 -3.718 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.447 -2.245 -2.757 1.00 0.00 H new ATOM 431 N ILE A 712 58.722 -2.140 -0.127 1.00 0.00 N ATOM 432 CA ILE A 712 58.207 -1.209 0.873 1.00 0.00 C ATOM 433 C ILE A 712 58.171 -1.872 2.248 1.00 0.00 C ATOM 434 O ILE A 712 58.388 -1.212 3.265 1.00 0.00 O ATOM 435 CB ILE A 712 56.796 -0.744 0.489 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.749 -0.395 -1.006 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.421 0.490 1.316 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.862 0.602 -1.347 1.00 0.00 C ATOM 0 H ILE A 712 58.023 -2.490 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 712 58.870 -0.345 0.912 1.00 0.00 H new ATOM 0 HB ILE A 712 56.087 -1.547 0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.865 -1.300 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.778 0.031 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.419 0.820 1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.444 0.238 2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.133 1.291 1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.821 0.844 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 712 57.727 1.512 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.831 0.160 -1.113 1.00 0.00 H new ATOM 450 N ALA A 713 58.081 -3.201 2.253 1.00 0.00 N ATOM 451 CA ALA A 713 58.119 -3.958 3.501 1.00 0.00 C ATOM 452 C ALA A 713 59.433 -3.714 4.237 1.00 0.00 C ATOM 453 O ALA A 713 59.435 -3.158 5.334 1.00 0.00 O ATOM 454 CB ALA A 713 57.963 -5.454 3.212 1.00 0.00 C ATOM 0 H ALA A 713 57.982 -3.771 1.413 1.00 0.00 H new ATOM 0 HA ALA A 713 57.295 -3.623 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.993 -6.011 4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.009 -5.631 2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.776 -5.787 2.567 1.00 0.00 H new ATOM 460 N THR A 714 60.542 -3.920 3.531 1.00 0.00 N ATOM 461 CA THR A 714 61.863 -3.812 4.146 1.00 0.00 C ATOM 462 C THR A 714 62.098 -2.399 4.668 1.00 0.00 C ATOM 463 O THR A 714 62.607 -2.217 5.772 1.00 0.00 O ATOM 464 CB THR A 714 62.946 -4.165 3.123 1.00 0.00 C ATOM 465 OG1 THR A 714 62.849 -3.292 2.008 1.00 0.00 O ATOM 466 CG2 THR A 714 62.762 -5.612 2.656 1.00 0.00 C ATOM 0 H THR A 714 60.553 -4.161 2.540 1.00 0.00 H new ATOM 0 HA THR A 714 61.911 -4.509 4.983 1.00 0.00 H new ATOM 0 HB THR A 714 63.927 -4.056 3.585 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.941 -2.926 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.534 -5.860 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.840 -6.283 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.780 -5.724 2.196 1.00 0.00 H new ATOM 474 N VAL A 715 61.535 -1.422 3.962 1.00 0.00 N ATOM 475 CA VAL A 715 61.653 -0.026 4.371 1.00 0.00 C ATOM 476 C VAL A 715 60.909 0.212 5.682 1.00 0.00 C ATOM 477 O VAL A 715 61.502 0.666 6.662 1.00 0.00 O ATOM 478 CB VAL A 715 61.080 0.882 3.277 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.206 2.349 3.703 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.853 0.661 1.972 1.00 0.00 C ATOM 0 H VAL A 715 60.996 -1.570 3.109 1.00 0.00 H new ATOM 0 HA VAL A 715 62.707 0.207 4.522 1.00 0.00 H new ATOM 0 HB VAL A 715 60.028 0.640 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.798 2.991 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.654 2.508 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.257 2.593 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.446 1.307 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.905 0.900 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.759 -0.381 1.665 1.00 0.00 H new ATOM 490 N ILE A 716 59.686 -0.307 5.754 1.00 0.00 N ATOM 491 CA ILE A 716 58.865 -0.147 6.949 1.00 0.00 C ATOM 492 C ILE A 716 59.390 -1.029 8.080 1.00 0.00 C ATOM 493 O ILE A 716 59.357 -0.639 9.247 1.00 0.00 O ATOM 494 CB ILE A 716 57.412 -0.521 6.634 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.856 0.437 5.574 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.568 -0.420 7.911 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.607 -0.174 4.933 1.00 0.00 C ATOM 0 H ILE A 716 59.245 -0.839 5.004 1.00 0.00 H new ATOM 0 HA ILE A 716 58.911 0.895 7.267 1.00 0.00 H new ATOM 0 HB ILE A 716 57.374 -1.542 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.611 1.396 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.611 0.630 4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.535 -0.686 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.963 -1.103 8.663 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.605 0.601 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.214 0.509 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.866 -1.123 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.851 -0.344 5.699 1.00 0.00 H new ATOM 509 N VAL A 717 59.955 -2.176 7.715 1.00 0.00 N ATOM 510 CA VAL A 717 60.460 -3.120 8.706 1.00 0.00 C ATOM 511 C VAL A 717 61.752 -2.598 9.326 1.00 0.00 C ATOM 512 O VAL A 717 61.883 -2.551 10.550 1.00 0.00 O ATOM 513 CB VAL A 717 60.712 -4.483 8.050 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.368 -5.429 9.063 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.383 -5.083 7.579 1.00 0.00 C ATOM 0 H VAL A 717 60.074 -2.473 6.746 1.00 0.00 H new ATOM 0 HA VAL A 717 59.713 -3.233 9.492 1.00 0.00 H new ATOM 0 HB VAL A 717 61.374 -4.352 7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.546 -6.397 8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.316 -5.006 9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.708 -5.557 9.921 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.566 -6.051 7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.718 -5.211 8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.918 -4.414 6.855 1.00 0.00 H new ATOM 525 N ILE A 718 62.613 -2.031 8.485 1.00 0.00 N ATOM 526 CA ILE A 718 63.882 -1.481 8.953 1.00 0.00 C ATOM 527 C ILE A 718 63.639 -0.321 9.917 1.00 0.00 C ATOM 528 O ILE A 718 64.208 -0.283 11.008 1.00 0.00 O ATOM 529 CB ILE A 718 64.715 -0.998 7.756 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.345 -2.206 7.050 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.824 -0.056 8.241 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.808 -1.799 5.648 1.00 0.00 C ATOM 0 H ILE A 718 62.456 -1.941 7.481 1.00 0.00 H new ATOM 0 HA ILE A 718 64.428 -2.264 9.479 1.00 0.00 H new ATOM 0 HB ILE A 718 64.067 -0.464 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.190 -2.578 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.622 -3.019 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.412 0.284 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.378 0.804 8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.471 -0.586 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.255 -2.659 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.953 -1.448 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.546 -1.001 5.726 1.00 0.00 H new ATOM 544 N THR A 719 62.705 0.556 9.557 1.00 0.00 N ATOM 545 CA THR A 719 62.362 1.690 10.411 1.00 0.00 C ATOM 546 C THR A 719 61.761 1.208 11.728 1.00 0.00 C ATOM 547 O THR A 719 62.057 1.756 12.790 1.00 0.00 O ATOM 548 CB THR A 719 61.360 2.601 9.696 1.00 0.00 C ATOM 549 OG1 THR A 719 60.337 1.811 9.108 1.00 0.00 O ATOM 550 CG2 THR A 719 62.077 3.399 8.604 1.00 0.00 C ATOM 0 H THR A 719 62.176 0.504 8.687 1.00 0.00 H new ATOM 0 HA THR A 719 63.274 2.248 10.622 1.00 0.00 H new ATOM 0 HB THR A 719 60.920 3.289 10.418 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.376 0.902 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.361 4.046 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 719 62.861 4.008 9.054 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.519 2.712 7.882 1.00 0.00 H new ATOM 558 N LEU A 720 61.057 0.079 11.668 1.00 0.00 N ATOM 559 CA LEU A 720 60.428 -0.489 12.856 1.00 0.00 C ATOM 560 C LEU A 720 61.483 -0.931 13.865 1.00 0.00 C ATOM 561 O LEU A 720 61.299 -0.773 15.071 1.00 0.00 O ATOM 562 CB LEU A 720 59.560 -1.692 12.460 1.00 0.00 C ATOM 563 CG LEU A 720 58.085 -1.410 12.785 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.916 -1.197 14.295 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.615 -0.160 12.031 1.00 0.00 C ATOM 0 H LEU A 720 60.909 -0.457 10.813 1.00 0.00 H new ATOM 0 HA LEU A 720 59.804 0.277 13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.673 -1.897 11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.894 -2.582 12.993 1.00 0.00 H new ATOM 0 HG LEU A 720 57.483 -2.264 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.868 -0.997 14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 720 58.237 -2.093 14.827 1.00 0.00 H new ATOM 0 HD13 LEU A 720 58.523 -0.349 14.613 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.568 0.034 12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.220 0.695 12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.722 -0.320 10.958 1.00 0.00 H new ATOM 577 N VAL A 721 62.639 -1.360 13.358 1.00 0.00 N ATOM 578 CA VAL A 721 63.726 -1.806 14.224 1.00 0.00 C ATOM 579 C VAL A 721 64.165 -0.682 15.154 1.00 0.00 C ATOM 580 O VAL A 721 64.364 -0.893 16.351 1.00 0.00 O ATOM 581 CB VAL A 721 64.921 -2.260 13.375 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.045 -2.751 14.292 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.488 -3.397 12.446 1.00 0.00 C ATOM 0 H VAL A 721 62.844 -1.407 12.360 1.00 0.00 H new ATOM 0 HA VAL A 721 63.366 -2.642 14.824 1.00 0.00 H new ATOM 0 HB VAL A 721 65.279 -1.421 12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.893 -3.073 13.688 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.356 -1.941 14.952 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.687 -3.589 14.890 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.338 -3.718 11.844 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.127 -4.236 13.041 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.690 -3.048 11.791 1.00 0.00 H new ATOM 593 N MET A 722 64.347 0.508 14.589 1.00 0.00 N ATOM 594 CA MET A 722 64.709 1.672 15.386 1.00 0.00 C ATOM 595 C MET A 722 63.550 2.073 16.297 1.00 0.00 C ATOM 596 O MET A 722 63.749 2.308 17.490 1.00 0.00 O ATOM 597 CB MET A 722 65.073 2.841 14.466 1.00 0.00 C ATOM 598 CG MET A 722 65.348 4.088 15.310 1.00 0.00 C ATOM 599 SD MET A 722 66.583 5.119 14.482 1.00 0.00 S ATOM 600 CE MET A 722 66.362 6.599 15.503 1.00 0.00 C ATOM 0 H MET A 722 64.250 0.690 13.590 1.00 0.00 H new ATOM 0 HA MET A 722 65.571 1.418 16.004 1.00 0.00 H new ATOM 0 HB2 MET A 722 65.952 2.590 13.872 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.260 3.034 13.767 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.427 4.652 15.455 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.704 3.799 16.299 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.040 7.381 15.162 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.333 6.949 15.419 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.580 6.359 16.544 1.00 0.00 H new ATOM 610 N LEU A 723 62.330 1.930 15.781 1.00 0.00 N ATOM 611 CA LEU A 723 61.137 2.346 16.514 1.00 0.00 C ATOM 612 C LEU A 723 60.690 1.254 17.488 1.00 0.00 C ATOM 613 O LEU A 723 59.764 1.463 18.274 1.00 0.00 O ATOM 614 CB LEU A 723 59.995 2.656 15.535 1.00 0.00 C ATOM 615 CG LEU A 723 60.396 3.810 14.604 1.00 0.00 C ATOM 616 CD1 LEU A 723 59.321 3.990 13.529 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.533 5.109 15.407 1.00 0.00 C ATOM 0 H LEU A 723 62.143 1.531 14.861 1.00 0.00 H new ATOM 0 HA LEU A 723 61.384 3.244 17.081 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.759 1.769 14.947 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.094 2.921 16.088 1.00 0.00 H new ATOM 0 HG LEU A 723 61.352 3.576 14.136 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.602 4.808 12.866 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.227 3.071 12.951 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.367 4.219 14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.818 5.922 14.739 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.581 5.346 15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.298 4.984 16.173 1.00 0.00 H new