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 37:sc= 1.23 USER MOD Single : A 719 THR OG1 : rot 75:sc= 0.102 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.539 -5.139 -6.291 1.00 0.00 N ATOM 279 CA ALA A 701 44.893 -4.739 -6.664 1.00 0.00 C ATOM 280 C ALA A 701 45.877 -5.036 -5.534 1.00 0.00 C ATOM 281 O ALA A 701 47.002 -5.467 -5.786 1.00 0.00 O ATOM 282 CB ALA A 701 44.923 -3.244 -6.988 1.00 0.00 C ATOM 0 HA ALA A 701 45.189 -5.310 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.936 -2.952 -7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.246 -3.038 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.609 -2.676 -6.113 1.00 0.00 H new ATOM 288 N ILE A 702 45.381 -4.987 -4.299 1.00 0.00 N ATOM 289 CA ILE A 702 46.239 -5.153 -3.127 1.00 0.00 C ATOM 290 C ILE A 702 46.946 -6.509 -3.163 1.00 0.00 C ATOM 291 O ILE A 702 48.137 -6.600 -2.865 1.00 0.00 O ATOM 292 CB ILE A 702 45.392 -5.020 -1.845 1.00 0.00 C ATOM 293 CG1 ILE A 702 46.205 -4.312 -0.749 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.948 -6.404 -1.349 1.00 0.00 C ATOM 295 CD1 ILE A 702 47.485 -5.097 -0.444 1.00 0.00 C ATOM 0 H ILE A 702 44.396 -4.835 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 702 47.002 -4.375 -3.134 1.00 0.00 H new ATOM 0 HB ILE A 702 44.506 -4.428 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.458 -3.302 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.604 -4.218 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.351 -6.292 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.351 -6.892 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 702 45.826 -7.012 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 702 48.050 -4.583 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 702 47.225 -6.099 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 702 48.092 -5.168 -1.347 1.00 0.00 H new ATOM 307 N ILE A 703 46.272 -7.496 -3.749 1.00 0.00 N ATOM 308 CA ILE A 703 46.850 -8.827 -3.903 1.00 0.00 C ATOM 309 C ILE A 703 48.052 -8.784 -4.844 1.00 0.00 C ATOM 310 O ILE A 703 49.140 -9.245 -4.494 1.00 0.00 O ATOM 311 CB ILE A 703 45.788 -9.787 -4.456 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.745 -10.072 -3.368 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.448 -11.101 -4.890 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.494 -10.690 -3.998 1.00 0.00 C ATOM 0 H ILE A 703 45.328 -7.399 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 703 47.187 -9.179 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 703 45.303 -9.330 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.160 -10.750 -2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.484 -9.149 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.688 -11.778 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.187 -10.898 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.938 -11.563 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.756 -10.890 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.074 -9.997 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.760 -11.623 -4.495 1.00 0.00 H new ATOM 326 N GLY A 704 47.878 -8.123 -5.984 1.00 0.00 N ATOM 327 CA GLY A 704 48.934 -8.050 -6.988 1.00 0.00 C ATOM 328 C GLY A 704 50.020 -7.061 -6.571 1.00 0.00 C ATOM 329 O GLY A 704 51.211 -7.335 -6.726 1.00 0.00 O ATOM 0 H GLY A 704 47.020 -7.632 -6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.373 -9.037 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.510 -7.747 -7.945 1.00 0.00 H new ATOM 333 N LEU A 705 49.605 -5.957 -5.951 1.00 0.00 N ATOM 334 CA LEU A 705 50.554 -4.955 -5.472 1.00 0.00 C ATOM 335 C LEU A 705 51.462 -5.543 -4.395 1.00 0.00 C ATOM 336 O LEU A 705 52.618 -5.140 -4.264 1.00 0.00 O ATOM 337 CB LEU A 705 49.806 -3.743 -4.903 1.00 0.00 C ATOM 338 CG LEU A 705 49.055 -3.012 -6.024 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.103 -1.980 -5.407 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.054 -2.301 -6.944 1.00 0.00 C ATOM 0 H LEU A 705 48.626 -5.735 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 705 51.166 -4.638 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.103 -4.067 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.511 -3.063 -4.424 1.00 0.00 H new ATOM 0 HG LEU A 705 48.485 -3.735 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.568 -1.459 -6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.388 -2.487 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.676 -1.260 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.514 -1.784 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.630 -1.578 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.730 -3.035 -7.383 1.00 0.00 H new ATOM 352 N MET A 706 50.968 -6.568 -3.698 1.00 0.00 N ATOM 353 CA MET A 706 51.737 -7.190 -2.624 1.00 0.00 C ATOM 354 C MET A 706 53.045 -7.765 -3.161 1.00 0.00 C ATOM 355 O MET A 706 54.085 -7.677 -2.507 1.00 0.00 O ATOM 356 CB MET A 706 50.921 -8.308 -1.969 1.00 0.00 C ATOM 357 CG MET A 706 51.674 -8.840 -0.745 1.00 0.00 C ATOM 358 SD MET A 706 50.629 -10.020 0.143 1.00 0.00 S ATOM 359 CE MET A 706 51.502 -11.522 -0.367 1.00 0.00 C ATOM 0 H MET A 706 50.049 -6.980 -3.857 1.00 0.00 H new ATOM 0 HA MET A 706 51.965 -6.424 -1.882 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.942 -7.932 -1.672 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.750 -9.114 -2.683 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.601 -9.322 -1.056 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.949 -8.015 -0.087 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.017 -12.392 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.478 -11.606 -1.454 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.537 -11.473 -0.030 1.00 0.00 H new ATOM 369 N VAL A 707 53.009 -8.229 -4.408 1.00 0.00 N ATOM 370 CA VAL A 707 54.192 -8.807 -5.038 1.00 0.00 C ATOM 371 C VAL A 707 55.319 -7.779 -5.104 1.00 0.00 C ATOM 372 O VAL A 707 56.425 -8.032 -4.622 1.00 0.00 O ATOM 373 CB VAL A 707 53.848 -9.282 -6.455 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.071 -9.962 -7.085 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.681 -10.276 -6.396 1.00 0.00 C ATOM 0 H VAL A 707 52.178 -8.216 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 707 54.523 -9.656 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 707 53.562 -8.423 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.822 -10.298 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.897 -9.253 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.363 -10.819 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.438 -10.612 -7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.964 -11.134 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.810 -9.789 -5.956 1.00 0.00 H new ATOM 385 N GLY A 708 54.974 -6.567 -5.530 1.00 0.00 N ATOM 386 CA GLY A 708 55.951 -5.485 -5.613 1.00 0.00 C ATOM 387 C GLY A 708 56.082 -4.762 -4.277 1.00 0.00 C ATOM 388 O GLY A 708 56.953 -3.908 -4.108 1.00 0.00 O ATOM 0 H GLY A 708 54.031 -6.310 -5.822 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.920 -5.887 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.650 -4.777 -6.385 1.00 0.00 H new ATOM 392 N GLY A 709 55.263 -5.166 -3.306 1.00 0.00 N ATOM 393 CA GLY A 709 55.235 -4.499 -2.009 1.00 0.00 C ATOM 394 C GLY A 709 56.334 -5.034 -1.094 1.00 0.00 C ATOM 395 O GLY A 709 56.371 -4.714 0.095 1.00 0.00 O ATOM 0 H GLY A 709 54.614 -5.948 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.362 -3.425 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.262 -4.648 -1.540 1.00 0.00 H new ATOM 399 N VAL A 710 57.277 -5.769 -1.678 1.00 0.00 N ATOM 400 CA VAL A 710 58.338 -6.399 -0.900 1.00 0.00 C ATOM 401 C VAL A 710 59.404 -5.375 -0.514 1.00 0.00 C ATOM 402 O VAL A 710 59.883 -5.363 0.620 1.00 0.00 O ATOM 403 CB VAL A 710 58.976 -7.536 -1.711 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.647 -6.969 -2.967 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.023 -8.257 -0.853 1.00 0.00 C ATOM 0 H VAL A 710 57.328 -5.942 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 710 57.903 -6.807 0.012 1.00 0.00 H new ATOM 0 HB VAL A 710 58.199 -8.241 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.097 -7.781 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.901 -6.464 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.420 -6.257 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.474 -9.063 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.796 -7.550 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.544 -8.671 0.034 1.00 0.00 H new ATOM 415 N VAL A 711 59.670 -4.439 -1.423 1.00 0.00 N ATOM 416 CA VAL A 711 60.693 -3.424 -1.187 1.00 0.00 C ATOM 417 C VAL A 711 60.199 -2.394 -0.173 1.00 0.00 C ATOM 418 O VAL A 711 60.870 -2.139 0.827 1.00 0.00 O ATOM 419 CB VAL A 711 61.062 -2.725 -2.503 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.646 -3.750 -3.482 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.817 -2.081 -3.123 1.00 0.00 C ATOM 0 H VAL A 711 59.195 -4.363 -2.323 1.00 0.00 H new ATOM 0 HA VAL A 711 61.579 -3.915 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 711 61.801 -1.951 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.908 -3.253 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.539 -4.200 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 711 60.907 -4.527 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.089 -1.588 -4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.071 -2.850 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 711 59.404 -1.347 -2.431 1.00 0.00 H new ATOM 431 N ILE A 712 58.925 -2.026 -0.295 1.00 0.00 N ATOM 432 CA ILE A 712 58.304 -1.113 0.659 1.00 0.00 C ATOM 433 C ILE A 712 58.215 -1.760 2.040 1.00 0.00 C ATOM 434 O ILE A 712 58.489 -1.117 3.053 1.00 0.00 O ATOM 435 CB ILE A 712 56.900 -0.727 0.169 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.011 0.385 -0.887 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.043 -0.241 1.347 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.224 1.743 -0.205 1.00 0.00 C ATOM 0 H ILE A 712 58.307 -2.345 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 712 58.918 -0.216 0.736 1.00 0.00 H new ATOM 0 HB ILE A 712 56.425 -1.602 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.841 0.174 -1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.106 0.412 -1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.050 0.030 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.956 -1.037 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.513 0.630 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.301 2.523 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.380 1.957 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.142 1.715 0.382 1.00 0.00 H new ATOM 450 N ALA A 713 57.951 -3.066 2.060 1.00 0.00 N ATOM 451 CA ALA A 713 57.856 -3.797 3.320 1.00 0.00 C ATOM 452 C ALA A 713 59.161 -3.687 4.103 1.00 0.00 C ATOM 453 O ALA A 713 59.194 -3.062 5.163 1.00 0.00 O ATOM 454 CB ALA A 713 57.537 -5.270 3.049 1.00 0.00 C ATOM 0 H ALA A 713 57.801 -3.634 1.226 1.00 0.00 H new ATOM 0 HA ALA A 713 57.054 -3.359 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.468 -5.807 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.588 -5.345 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.328 -5.708 2.440 1.00 0.00 H new ATOM 460 N THR A 714 60.264 -4.027 3.438 1.00 0.00 N ATOM 461 CA THR A 714 61.576 -4.008 4.082 1.00 0.00 C ATOM 462 C THR A 714 61.933 -2.597 4.539 1.00 0.00 C ATOM 463 O THR A 714 62.431 -2.408 5.649 1.00 0.00 O ATOM 464 CB THR A 714 62.646 -4.516 3.108 1.00 0.00 C ATOM 465 OG1 THR A 714 62.298 -4.145 1.782 1.00 0.00 O ATOM 466 CG2 THR A 714 62.746 -6.041 3.199 1.00 0.00 C ATOM 0 H THR A 714 60.276 -4.317 2.460 1.00 0.00 H new ATOM 0 HA THR A 714 61.538 -4.661 4.954 1.00 0.00 H new ATOM 0 HB THR A 714 63.607 -4.074 3.370 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.888 -3.255 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.507 -6.398 2.505 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.018 -6.328 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.784 -6.485 2.942 1.00 0.00 H new ATOM 474 N VAL A 715 61.521 -1.606 3.753 1.00 0.00 N ATOM 475 CA VAL A 715 61.779 -0.209 4.095 1.00 0.00 C ATOM 476 C VAL A 715 61.067 0.163 5.391 1.00 0.00 C ATOM 477 O VAL A 715 61.707 0.548 6.369 1.00 0.00 O ATOM 478 CB VAL A 715 61.291 0.706 2.962 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.496 2.172 3.360 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.077 0.405 1.681 1.00 0.00 C ATOM 0 H VAL A 715 61.010 -1.742 2.881 1.00 0.00 H new ATOM 0 HA VAL A 715 62.853 -0.079 4.231 1.00 0.00 H new ATOM 0 HB VAL A 715 60.231 0.525 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.149 2.820 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.930 2.385 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.555 2.355 3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.729 1.056 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.138 0.581 1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.924 -0.636 1.396 1.00 0.00 H new ATOM 490 N ILE A 716 59.771 -0.132 5.442 1.00 0.00 N ATOM 491 CA ILE A 716 58.963 0.188 6.613 1.00 0.00 C ATOM 492 C ILE A 716 59.386 -0.670 7.803 1.00 0.00 C ATOM 493 O ILE A 716 59.549 -0.163 8.915 1.00 0.00 O ATOM 494 CB ILE A 716 57.481 -0.055 6.302 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.031 0.878 5.171 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.638 0.214 7.556 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.645 0.454 4.677 1.00 0.00 C ATOM 0 H ILE A 716 59.260 -0.591 4.688 1.00 0.00 H new ATOM 0 HA ILE A 716 59.114 1.237 6.866 1.00 0.00 H new ATOM 0 HB ILE A 716 57.345 -1.091 5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.002 1.908 5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.747 0.843 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.586 0.040 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.953 -0.455 8.357 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.776 1.248 7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.326 1.118 3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.688 -0.570 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.932 0.512 5.500 1.00 0.00 H new ATOM 509 N VAL A 717 59.731 -1.924 7.523 1.00 0.00 N ATOM 510 CA VAL A 717 60.113 -2.862 8.574 1.00 0.00 C ATOM 511 C VAL A 717 61.434 -2.439 9.212 1.00 0.00 C ATOM 512 O VAL A 717 61.626 -2.590 10.419 1.00 0.00 O ATOM 513 CB VAL A 717 60.251 -4.274 7.989 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.796 -5.225 9.060 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.882 -4.773 7.513 1.00 0.00 C ATOM 0 H VAL A 717 59.754 -2.313 6.580 1.00 0.00 H new ATOM 0 HA VAL A 717 59.337 -2.862 9.339 1.00 0.00 H new ATOM 0 HB VAL A 717 60.940 -4.245 7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.893 -6.227 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.773 -4.875 9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.110 -5.250 9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.984 -5.776 7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.191 -4.797 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.496 -4.101 6.746 1.00 0.00 H new ATOM 525 N ILE A 718 62.371 -1.996 8.378 1.00 0.00 N ATOM 526 CA ILE A 718 63.665 -1.525 8.866 1.00 0.00 C ATOM 527 C ILE A 718 63.489 -0.288 9.747 1.00 0.00 C ATOM 528 O ILE A 718 64.270 -0.061 10.669 1.00 0.00 O ATOM 529 CB ILE A 718 64.580 -1.196 7.677 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.124 -2.499 7.078 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.751 -0.323 8.142 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.672 -2.232 5.672 1.00 0.00 C ATOM 0 H ILE A 718 62.260 -1.953 7.365 1.00 0.00 H new ATOM 0 HA ILE A 718 64.121 -2.314 9.464 1.00 0.00 H new ATOM 0 HB ILE A 718 64.007 -0.654 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.911 -2.903 7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.334 -3.248 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.394 -0.095 7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.367 0.605 8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.325 -0.858 8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.058 -3.160 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.873 -1.849 5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.475 -1.497 5.728 1.00 0.00 H new ATOM 544 N THR A 719 62.409 0.453 9.514 1.00 0.00 N ATOM 545 CA THR A 719 62.086 1.605 10.351 1.00 0.00 C ATOM 546 C THR A 719 61.397 1.159 11.640 1.00 0.00 C ATOM 547 O THR A 719 61.443 1.858 12.654 1.00 0.00 O ATOM 548 CB THR A 719 61.172 2.571 9.588 1.00 0.00 C ATOM 549 OG1 THR A 719 61.368 2.412 8.191 1.00 0.00 O ATOM 550 CG2 THR A 719 61.503 4.015 9.980 1.00 0.00 C ATOM 0 H THR A 719 61.747 0.278 8.758 1.00 0.00 H new ATOM 0 HA THR A 719 63.016 2.113 10.607 1.00 0.00 H new ATOM 0 HB THR A 719 60.134 2.352 9.840 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.938 1.584 7.892 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.851 4.698 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.351 4.145 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.542 4.230 9.732 1.00 0.00 H new ATOM 558 N LEU A 720 60.712 0.020 11.576 1.00 0.00 N ATOM 559 CA LEU A 720 59.987 -0.504 12.732 1.00 0.00 C ATOM 560 C LEU A 720 60.948 -0.815 13.880 1.00 0.00 C ATOM 561 O LEU A 720 60.590 -0.682 15.051 1.00 0.00 O ATOM 562 CB LEU A 720 59.233 -1.784 12.333 1.00 0.00 C ATOM 563 CG LEU A 720 57.717 -1.597 12.495 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.368 -1.470 13.981 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.263 -0.337 11.752 1.00 0.00 C ATOM 0 H LEU A 720 60.643 -0.557 10.738 1.00 0.00 H new ATOM 0 HA LEU A 720 59.278 0.253 13.067 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.464 -2.040 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.569 -2.617 12.950 1.00 0.00 H new ATOM 0 HG LEU A 720 57.206 -2.463 12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.292 -1.337 14.092 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.678 -2.373 14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.885 -0.609 14.404 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.187 -0.212 11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.777 0.532 12.162 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.501 -0.434 10.693 1.00 0.00 H new ATOM 577 N VAL A 721 62.195 -1.125 13.534 1.00 0.00 N ATOM 578 CA VAL A 721 63.198 -1.469 14.542 1.00 0.00 C ATOM 579 C VAL A 721 63.504 -0.263 15.425 1.00 0.00 C ATOM 580 O VAL A 721 64.078 -0.405 16.505 1.00 0.00 O ATOM 581 CB VAL A 721 64.489 -1.956 13.866 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.138 -2.904 12.715 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.281 -0.761 13.321 1.00 0.00 C ATOM 0 H VAL A 721 62.535 -1.146 12.572 1.00 0.00 H new ATOM 0 HA VAL A 721 62.797 -2.269 15.164 1.00 0.00 H new ATOM 0 HB VAL A 721 65.098 -2.482 14.601 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.054 -3.249 12.236 1.00 0.00 H new ATOM 0 HG12 VAL A 721 63.587 -3.760 13.104 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.523 -2.378 11.985 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.194 -1.117 12.844 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.675 -0.225 12.590 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.538 -0.090 14.141 1.00 0.00 H new ATOM 593 N MET A 722 63.203 0.929 14.914 1.00 0.00 N ATOM 594 CA MET A 722 63.468 2.158 15.654 1.00 0.00 C ATOM 595 C MET A 722 62.396 2.388 16.719 1.00 0.00 C ATOM 596 O MET A 722 62.665 3.002 17.754 1.00 0.00 O ATOM 597 CB MET A 722 63.502 3.351 14.697 1.00 0.00 C ATOM 598 CG MET A 722 64.519 3.094 13.580 1.00 0.00 C ATOM 599 SD MET A 722 65.176 4.674 12.990 1.00 0.00 S ATOM 600 CE MET A 722 66.544 4.003 12.013 1.00 0.00 C ATOM 0 H MET A 722 62.779 1.068 13.997 1.00 0.00 H new ATOM 0 HA MET A 722 64.436 2.059 16.145 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.513 3.514 14.270 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.767 4.257 15.241 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.330 2.465 13.949 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.046 2.555 12.759 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.096 4.821 11.550 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.212 3.437 12.663 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.150 3.346 11.237 1.00 0.00 H new ATOM 610 N LEU A 723 61.224 1.783 16.521 1.00 0.00 N ATOM 611 CA LEU A 723 60.154 1.861 17.512 1.00 0.00 C ATOM 612 C LEU A 723 60.516 1.064 18.766 1.00 0.00 C ATOM 613 O LEU A 723 59.745 1.026 19.728 1.00 0.00 O ATOM 614 CB LEU A 723 58.843 1.319 16.926 1.00 0.00 C ATOM 615 CG LEU A 723 58.398 2.185 15.738 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.141 1.574 15.092 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.091 3.609 16.223 1.00 0.00 C ATOM 0 H LEU A 723 60.994 1.238 15.690 1.00 0.00 H new ATOM 0 HA LEU A 723 60.024 2.909 17.783 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.979 0.287 16.603 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.068 1.313 17.692 1.00 0.00 H new ATOM 0 HG LEU A 723 59.199 2.222 15.000 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.828 2.191 14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.365 0.567 14.741 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.338 1.531 15.828 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.776 4.221 15.378 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.293 3.577 16.965 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.986 4.042 16.670 1.00 0.00 H new