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 25:sc= 0.638 USER MOD Single : A 719 THR OG1 : rot 77:sc= 0.931 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 42.629 -6.224 -6.683 1.00 0.00 N ATOM 279 CA ALA A 701 43.828 -5.972 -7.478 1.00 0.00 C ATOM 280 C ALA A 701 45.030 -5.711 -6.575 1.00 0.00 C ATOM 281 O ALA A 701 46.179 -5.818 -7.008 1.00 0.00 O ATOM 282 CB ALA A 701 43.599 -4.763 -8.389 1.00 0.00 C ATOM 0 HA ALA A 701 44.033 -6.855 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 701 44.496 -4.578 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 701 42.760 -4.963 -9.055 1.00 0.00 H new ATOM 0 HB3 ALA A 701 43.378 -3.886 -7.781 1.00 0.00 H new ATOM 288 N ILE A 702 44.753 -5.315 -5.334 1.00 0.00 N ATOM 289 CA ILE A 702 45.810 -5.035 -4.368 1.00 0.00 C ATOM 290 C ILE A 702 46.660 -6.281 -4.126 1.00 0.00 C ATOM 291 O ILE A 702 47.863 -6.179 -3.884 1.00 0.00 O ATOM 292 CB ILE A 702 45.184 -4.558 -3.048 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.814 -3.070 -3.160 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.169 -4.764 -1.888 1.00 0.00 C ATOM 295 CD1 ILE A 702 46.056 -2.198 -2.942 1.00 0.00 C ATOM 0 H ILE A 702 43.807 -5.181 -4.976 1.00 0.00 H new ATOM 0 HA ILE A 702 46.456 -4.253 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 702 44.284 -5.141 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.386 -2.867 -4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.052 -2.821 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.713 -4.422 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.415 -5.822 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 702 47.079 -4.194 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 702 45.781 -1.146 -3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 702 46.466 -2.390 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.805 -2.437 -3.697 1.00 0.00 H new ATOM 307 N ILE A 703 46.068 -7.449 -4.371 1.00 0.00 N ATOM 308 CA ILE A 703 46.784 -8.711 -4.211 1.00 0.00 C ATOM 309 C ILE A 703 48.036 -8.732 -5.085 1.00 0.00 C ATOM 310 O ILE A 703 49.098 -9.179 -4.646 1.00 0.00 O ATOM 311 CB ILE A 703 45.869 -9.884 -4.585 1.00 0.00 C ATOM 312 CG1 ILE A 703 46.485 -11.195 -4.082 1.00 0.00 C ATOM 313 CG2 ILE A 703 45.698 -9.945 -6.109 1.00 0.00 C ATOM 314 CD1 ILE A 703 45.557 -12.365 -4.414 1.00 0.00 C ATOM 0 H ILE A 703 45.101 -7.546 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 703 47.085 -8.808 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 703 44.893 -9.741 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 703 47.460 -11.350 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 703 46.647 -11.142 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.047 -10.780 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 703 45.254 -9.015 -6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.672 -10.084 -6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 703 46.000 -13.294 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.592 -12.212 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.417 -12.424 -5.493 1.00 0.00 H new ATOM 326 N GLY A 704 47.957 -8.052 -6.224 1.00 0.00 N ATOM 327 CA GLY A 704 49.060 -8.035 -7.178 1.00 0.00 C ATOM 328 C GLY A 704 50.063 -6.938 -6.833 1.00 0.00 C ATOM 329 O GLY A 704 51.274 -7.157 -6.892 1.00 0.00 O ATOM 0 H GLY A 704 47.143 -7.507 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.560 -9.003 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.673 -7.876 -8.184 1.00 0.00 H new ATOM 333 N LEU A 705 49.555 -5.836 -6.287 1.00 0.00 N ATOM 334 CA LEU A 705 50.417 -4.760 -5.803 1.00 0.00 C ATOM 335 C LEU A 705 51.240 -5.221 -4.603 1.00 0.00 C ATOM 336 O LEU A 705 52.383 -4.794 -4.432 1.00 0.00 O ATOM 337 CB LEU A 705 49.568 -3.544 -5.408 1.00 0.00 C ATOM 338 CG LEU A 705 48.846 -2.993 -6.642 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.829 -1.933 -6.208 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.864 -2.365 -7.599 1.00 0.00 C ATOM 0 H LEU A 705 48.556 -5.665 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 705 51.099 -4.482 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.841 -3.828 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.202 -2.772 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 705 48.329 -3.807 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.315 -1.541 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.101 -2.382 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.346 -1.121 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.347 -1.974 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.386 -1.552 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.585 -3.121 -7.910 1.00 0.00 H new ATOM 352 N MET A 706 50.745 -6.244 -3.910 1.00 0.00 N ATOM 353 CA MET A 706 51.421 -6.750 -2.718 1.00 0.00 C ATOM 354 C MET A 706 52.740 -7.424 -3.090 1.00 0.00 C ATOM 355 O MET A 706 53.703 -7.383 -2.323 1.00 0.00 O ATOM 356 CB MET A 706 50.523 -7.754 -1.989 1.00 0.00 C ATOM 357 CG MET A 706 50.877 -7.760 -0.498 1.00 0.00 C ATOM 358 SD MET A 706 49.937 -9.061 0.342 1.00 0.00 S ATOM 359 CE MET A 706 48.855 -7.982 1.310 1.00 0.00 C ATOM 0 H MET A 706 49.884 -6.736 -4.151 1.00 0.00 H new ATOM 0 HA MET A 706 51.630 -5.905 -2.061 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.475 -7.487 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.655 -8.751 -2.410 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.946 -7.928 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.650 -6.790 -0.056 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.180 -8.590 1.913 1.00 0.00 H new ATOM 0 HE2 MET A 706 49.459 -7.353 1.964 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.273 -7.352 0.637 1.00 0.00 H new ATOM 369 N VAL A 707 52.818 -7.913 -4.324 1.00 0.00 N ATOM 370 CA VAL A 707 54.052 -8.509 -4.827 1.00 0.00 C ATOM 371 C VAL A 707 55.150 -7.455 -4.941 1.00 0.00 C ATOM 372 O VAL A 707 56.277 -7.674 -4.498 1.00 0.00 O ATOM 373 CB VAL A 707 53.804 -9.144 -6.200 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.082 -9.841 -6.679 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.667 -10.169 -6.098 1.00 0.00 C ATOM 0 H VAL A 707 52.046 -7.909 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 707 54.375 -9.277 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 707 53.525 -8.367 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.906 -10.293 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.887 -9.111 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.363 -10.616 -5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.493 -10.618 -7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.941 -10.946 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.758 -9.671 -5.761 1.00 0.00 H new ATOM 385 N GLY A 708 54.766 -6.258 -5.378 1.00 0.00 N ATOM 386 CA GLY A 708 55.707 -5.146 -5.465 1.00 0.00 C ATOM 387 C GLY A 708 55.925 -4.505 -4.096 1.00 0.00 C ATOM 388 O GLY A 708 56.852 -3.715 -3.914 1.00 0.00 O ATOM 0 H GLY A 708 53.816 -6.035 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.659 -5.501 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.330 -4.400 -6.164 1.00 0.00 H new ATOM 392 N GLY A 709 55.141 -4.943 -3.111 1.00 0.00 N ATOM 393 CA GLY A 709 55.212 -4.367 -1.772 1.00 0.00 C ATOM 394 C GLY A 709 56.290 -5.052 -0.937 1.00 0.00 C ATOM 395 O GLY A 709 56.287 -4.959 0.291 1.00 0.00 O ATOM 0 H GLY A 709 54.454 -5.690 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.425 -3.300 -1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.246 -4.467 -1.278 1.00 0.00 H new ATOM 399 N VAL A 710 57.263 -5.657 -1.616 1.00 0.00 N ATOM 400 CA VAL A 710 58.404 -6.260 -0.935 1.00 0.00 C ATOM 401 C VAL A 710 59.452 -5.199 -0.606 1.00 0.00 C ATOM 402 O VAL A 710 60.104 -5.261 0.437 1.00 0.00 O ATOM 403 CB VAL A 710 59.028 -7.344 -1.824 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.269 -7.926 -1.138 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.007 -8.462 -2.061 1.00 0.00 C ATOM 0 H VAL A 710 57.283 -5.742 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 710 58.056 -6.710 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 710 59.316 -6.903 -2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.709 -8.695 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.998 -7.133 -0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.984 -8.364 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.450 -9.232 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.717 -8.899 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.126 -8.051 -2.554 1.00 0.00 H new ATOM 415 N VAL A 711 59.633 -4.248 -1.519 1.00 0.00 N ATOM 416 CA VAL A 711 60.684 -3.246 -1.365 1.00 0.00 C ATOM 417 C VAL A 711 60.295 -2.228 -0.297 1.00 0.00 C ATOM 418 O VAL A 711 61.075 -1.946 0.612 1.00 0.00 O ATOM 419 CB VAL A 711 60.935 -2.522 -2.695 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.406 -2.102 -2.776 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.606 -3.450 -3.869 1.00 0.00 C ATOM 0 H VAL A 711 59.072 -4.150 -2.365 1.00 0.00 H new ATOM 0 HA VAL A 711 61.597 -3.756 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 711 60.296 -1.640 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.586 -1.588 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.639 -1.433 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.041 -2.986 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.787 -2.927 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.238 -4.337 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 711 59.559 -3.747 -3.816 1.00 0.00 H new ATOM 431 N ILE A 712 59.024 -1.834 -0.307 1.00 0.00 N ATOM 432 CA ILE A 712 58.509 -0.907 0.696 1.00 0.00 C ATOM 433 C ILE A 712 58.377 -1.598 2.052 1.00 0.00 C ATOM 434 O ILE A 712 58.560 -0.971 3.096 1.00 0.00 O ATOM 435 CB ILE A 712 57.144 -0.366 0.247 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.733 0.813 1.139 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.091 -1.475 0.344 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.977 2.129 0.395 1.00 0.00 C ATOM 0 H ILE A 712 58.336 -2.140 -0.994 1.00 0.00 H new ATOM 0 HA ILE A 712 59.210 -0.079 0.800 1.00 0.00 H new ATOM 0 HB ILE A 712 57.217 -0.027 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 712 55.681 0.727 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.305 0.797 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.124 -1.087 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.379 -2.307 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.021 -1.821 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.685 2.965 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 712 58.035 2.215 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 712 56.386 2.144 -0.521 1.00 0.00 H new ATOM 450 N ALA A 713 58.197 -2.917 2.023 1.00 0.00 N ATOM 451 CA ALA A 713 58.069 -3.691 3.253 1.00 0.00 C ATOM 452 C ALA A 713 59.334 -3.567 4.096 1.00 0.00 C ATOM 453 O ALA A 713 59.296 -2.995 5.184 1.00 0.00 O ATOM 454 CB ALA A 713 57.812 -5.164 2.922 1.00 0.00 C ATOM 0 H ALA A 713 58.137 -3.468 1.167 1.00 0.00 H new ATOM 0 HA ALA A 713 57.227 -3.298 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.718 -5.734 3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.891 -5.252 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.644 -5.556 2.337 1.00 0.00 H new ATOM 460 N THR A 714 60.475 -3.831 3.464 1.00 0.00 N ATOM 461 CA THR A 714 61.757 -3.793 4.163 1.00 0.00 C ATOM 462 C THR A 714 62.038 -2.393 4.702 1.00 0.00 C ATOM 463 O THR A 714 62.471 -2.239 5.844 1.00 0.00 O ATOM 464 CB THR A 714 62.883 -4.210 3.210 1.00 0.00 C ATOM 465 OG1 THR A 714 62.625 -3.692 1.913 1.00 0.00 O ATOM 466 CG2 THR A 714 62.959 -5.739 3.143 1.00 0.00 C ATOM 0 H THR A 714 60.538 -4.072 2.475 1.00 0.00 H new ATOM 0 HA THR A 714 61.711 -4.488 5.001 1.00 0.00 H new ATOM 0 HB THR A 714 63.831 -3.815 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.054 -2.899 1.985 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.760 -6.034 2.465 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.160 -6.137 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.011 -6.135 2.779 1.00 0.00 H new ATOM 474 N VAL A 715 61.598 -1.382 3.957 1.00 0.00 N ATOM 475 CA VAL A 715 61.783 0.004 4.372 1.00 0.00 C ATOM 476 C VAL A 715 60.970 0.297 5.630 1.00 0.00 C ATOM 477 O VAL A 715 61.536 0.600 6.682 1.00 0.00 O ATOM 478 CB VAL A 715 61.349 0.947 3.242 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.385 2.399 3.732 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.301 0.788 2.053 1.00 0.00 C ATOM 0 H VAL A 715 61.113 -1.497 3.067 1.00 0.00 H new ATOM 0 HA VAL A 715 62.838 0.165 4.592 1.00 0.00 H new ATOM 0 HB VAL A 715 60.333 0.697 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.076 3.063 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.707 2.515 4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.398 2.653 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.994 1.457 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.316 1.036 2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.271 -0.242 1.698 1.00 0.00 H new ATOM 490 N ILE A 716 59.685 -0.040 5.577 1.00 0.00 N ATOM 491 CA ILE A 716 58.800 0.152 6.722 1.00 0.00 C ATOM 492 C ILE A 716 59.245 -0.722 7.893 1.00 0.00 C ATOM 493 O ILE A 716 59.383 -0.239 9.016 1.00 0.00 O ATOM 494 CB ILE A 716 57.357 -0.197 6.325 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.730 0.984 5.568 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.527 -0.513 7.576 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.331 2.091 6.553 1.00 0.00 C ATOM 0 H ILE A 716 59.234 -0.446 4.757 1.00 0.00 H new ATOM 0 HA ILE A 716 58.846 1.196 7.032 1.00 0.00 H new ATOM 0 HB ILE A 716 57.368 -1.075 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.438 1.375 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.854 0.647 5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.506 -0.759 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.968 -1.361 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.516 0.356 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.888 2.923 6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.606 1.699 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.215 2.438 7.087 1.00 0.00 H new ATOM 509 N VAL A 717 59.656 -1.948 7.578 1.00 0.00 N ATOM 510 CA VAL A 717 59.998 -2.922 8.610 1.00 0.00 C ATOM 511 C VAL A 717 61.279 -2.508 9.327 1.00 0.00 C ATOM 512 O VAL A 717 61.314 -2.436 10.557 1.00 0.00 O ATOM 513 CB VAL A 717 60.184 -4.309 7.978 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.737 -5.282 9.026 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.837 -4.826 7.463 1.00 0.00 C ATOM 0 H VAL A 717 59.760 -2.289 6.622 1.00 0.00 H new ATOM 0 HA VAL A 717 59.185 -2.962 9.335 1.00 0.00 H new ATOM 0 HB VAL A 717 60.885 -4.234 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.868 -6.266 8.576 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.698 -4.918 9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.038 -5.355 9.859 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.972 -5.810 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.134 -4.898 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.445 -4.137 6.714 1.00 0.00 H new ATOM 525 N ILE A 718 62.277 -2.103 8.548 1.00 0.00 N ATOM 526 CA ILE A 718 63.539 -1.630 9.109 1.00 0.00 C ATOM 527 C ILE A 718 63.300 -0.438 10.034 1.00 0.00 C ATOM 528 O ILE A 718 63.778 -0.424 11.169 1.00 0.00 O ATOM 529 CB ILE A 718 64.495 -1.230 7.976 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.077 -2.494 7.329 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.636 -0.371 8.534 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.657 -2.153 5.953 1.00 0.00 C ATOM 0 H ILE A 718 62.237 -2.093 7.529 1.00 0.00 H new ATOM 0 HA ILE A 718 63.987 -2.436 9.690 1.00 0.00 H new ATOM 0 HB ILE A 718 63.946 -0.655 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.854 -2.915 7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.301 -3.253 7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.310 -0.091 7.724 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.224 0.529 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.186 -0.939 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.069 -3.054 5.498 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.869 -1.752 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.446 -1.410 6.065 1.00 0.00 H new ATOM 544 N THR A 719 62.405 0.453 9.616 1.00 0.00 N ATOM 545 CA THR A 719 62.040 1.600 10.441 1.00 0.00 C ATOM 546 C THR A 719 61.294 1.143 11.690 1.00 0.00 C ATOM 547 O THR A 719 61.617 1.565 12.801 1.00 0.00 O ATOM 548 CB THR A 719 61.156 2.561 9.640 1.00 0.00 C ATOM 549 OG1 THR A 719 61.775 2.849 8.395 1.00 0.00 O ATOM 550 CG2 THR A 719 60.966 3.861 10.428 1.00 0.00 C ATOM 0 H THR A 719 61.923 0.404 8.719 1.00 0.00 H new ATOM 0 HA THR A 719 62.953 2.113 10.742 1.00 0.00 H new ATOM 0 HB THR A 719 60.185 2.098 9.465 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.653 2.091 7.786 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.337 4.544 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.489 3.641 11.383 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.937 4.324 10.605 1.00 0.00 H new ATOM 558 N LEU A 720 60.430 0.146 11.518 1.00 0.00 N ATOM 559 CA LEU A 720 59.587 -0.324 12.609 1.00 0.00 C ATOM 560 C LEU A 720 60.437 -0.930 13.722 1.00 0.00 C ATOM 561 O LEU A 720 60.180 -0.695 14.901 1.00 0.00 O ATOM 562 CB LEU A 720 58.600 -1.373 12.091 1.00 0.00 C ATOM 563 CG LEU A 720 57.327 -1.348 12.946 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.353 -0.306 12.385 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.669 -2.730 12.926 1.00 0.00 C ATOM 0 H LEU A 720 60.297 -0.349 10.636 1.00 0.00 H new ATOM 0 HA LEU A 720 59.037 0.527 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.354 -1.172 11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.054 -2.363 12.126 1.00 0.00 H new ATOM 0 HG LEU A 720 57.585 -1.086 13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.449 -0.289 12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.822 0.678 12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.095 -0.565 11.358 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.764 -2.711 13.534 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.412 -2.996 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.362 -3.469 13.329 1.00 0.00 H new ATOM 577 N VAL A 721 61.550 -1.547 13.331 1.00 0.00 N ATOM 578 CA VAL A 721 62.484 -2.113 14.298 1.00 0.00 C ATOM 579 C VAL A 721 63.018 -1.024 15.224 1.00 0.00 C ATOM 580 O VAL A 721 62.901 -1.131 16.446 1.00 0.00 O ATOM 581 CB VAL A 721 63.654 -2.788 13.568 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.646 -3.343 14.595 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.129 -3.933 12.694 1.00 0.00 C ATOM 0 H VAL A 721 61.825 -1.667 12.356 1.00 0.00 H new ATOM 0 HA VAL A 721 61.955 -2.856 14.895 1.00 0.00 H new ATOM 0 HB VAL A 721 64.155 -2.054 12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.477 -3.822 14.077 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.025 -2.528 15.212 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.143 -4.074 15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.963 -4.409 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.624 -4.667 13.321 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.426 -3.538 11.960 1.00 0.00 H new ATOM 593 N MET A 722 63.384 0.110 14.634 1.00 0.00 N ATOM 594 CA MET A 722 63.951 1.213 15.404 1.00 0.00 C ATOM 595 C MET A 722 62.879 1.864 16.273 1.00 0.00 C ATOM 596 O MET A 722 63.128 2.197 17.433 1.00 0.00 O ATOM 597 CB MET A 722 64.549 2.257 14.458 1.00 0.00 C ATOM 598 CG MET A 722 65.783 1.675 13.764 1.00 0.00 C ATOM 599 SD MET A 722 67.194 1.722 14.899 1.00 0.00 S ATOM 600 CE MET A 722 67.846 3.337 14.401 1.00 0.00 C ATOM 0 H MET A 722 63.299 0.289 13.633 1.00 0.00 H new ATOM 0 HA MET A 722 64.735 0.817 16.049 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.809 2.556 13.716 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.822 3.153 15.015 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.588 0.649 13.452 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.009 2.245 12.863 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.735 3.567 14.988 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.106 3.314 13.343 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.090 4.103 14.573 1.00 0.00 H new ATOM 610 N LEU A 723 61.651 1.890 15.760 1.00 0.00 N ATOM 611 CA LEU A 723 60.528 2.442 16.509 1.00 0.00 C ATOM 612 C LEU A 723 60.089 1.480 17.609 1.00 0.00 C ATOM 613 O LEU A 723 59.737 1.907 18.708 1.00 0.00 O ATOM 614 CB LEU A 723 59.350 2.714 15.567 1.00 0.00 C ATOM 615 CG LEU A 723 59.750 3.759 14.518 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.641 3.881 13.469 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.964 5.115 15.197 1.00 0.00 C ATOM 0 H LEU A 723 61.410 1.537 14.834 1.00 0.00 H new ATOM 0 HA LEU A 723 60.850 3.377 16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.046 1.790 15.075 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.492 3.069 16.137 1.00 0.00 H new ATOM 0 HG LEU A 723 60.676 3.448 14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.925 4.624 12.724 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.493 2.917 12.983 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.714 4.189 13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.248 5.855 14.449 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.041 5.428 15.685 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.756 5.028 15.941 1.00 0.00 H new