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 -8:sc= 0.713 USER MOD Single : A 719 THR OG1 : rot 104:sc= 1.25 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.949 -4.754 -6.756 1.00 0.00 N ATOM 279 CA ALA A 701 45.313 -4.240 -6.752 1.00 0.00 C ATOM 280 C ALA A 701 46.040 -4.640 -5.470 1.00 0.00 C ATOM 281 O ALA A 701 47.269 -4.664 -5.431 1.00 0.00 O ATOM 282 CB ALA A 701 45.296 -2.715 -6.874 1.00 0.00 C ATOM 0 HA ALA A 701 45.842 -4.669 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.319 -2.338 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.808 -2.430 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.749 -2.289 -6.033 1.00 0.00 H new ATOM 288 N ILE A 702 45.274 -5.045 -4.457 1.00 0.00 N ATOM 289 CA ILE A 702 45.860 -5.532 -3.209 1.00 0.00 C ATOM 290 C ILE A 702 46.853 -6.657 -3.484 1.00 0.00 C ATOM 291 O ILE A 702 47.941 -6.687 -2.909 1.00 0.00 O ATOM 292 CB ILE A 702 44.754 -6.035 -2.270 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.328 -6.233 -0.862 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.199 -7.368 -2.790 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.213 -6.655 0.100 1.00 0.00 C ATOM 0 H ILE A 702 44.254 -5.046 -4.475 1.00 0.00 H new ATOM 0 HA ILE A 702 46.390 -4.707 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 702 43.950 -5.300 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.110 -6.992 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.790 -5.309 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.415 -7.721 -2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.787 -7.226 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 702 45.001 -8.105 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.627 -6.794 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.446 -5.881 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.771 -7.591 -0.243 1.00 0.00 H new ATOM 307 N ILE A 703 46.555 -7.452 -4.509 1.00 0.00 N ATOM 308 CA ILE A 703 47.432 -8.547 -4.905 1.00 0.00 C ATOM 309 C ILE A 703 48.760 -8.001 -5.426 1.00 0.00 C ATOM 310 O ILE A 703 49.825 -8.406 -4.960 1.00 0.00 O ATOM 311 CB ILE A 703 46.754 -9.385 -5.995 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.465 -10.007 -5.443 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.705 -10.497 -6.456 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.515 -10.341 -6.598 1.00 0.00 C ATOM 0 H ILE A 703 45.714 -7.357 -5.078 1.00 0.00 H new ATOM 0 HA ILE A 703 47.627 -9.174 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 703 46.510 -8.743 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.698 -10.910 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.983 -9.315 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.221 -11.092 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.617 -10.053 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.954 -11.137 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.601 -10.783 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.271 -9.429 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.997 -11.049 -7.272 1.00 0.00 H new ATOM 326 N GLY A 704 48.675 -6.919 -6.196 1.00 0.00 N ATOM 327 CA GLY A 704 49.865 -6.275 -6.741 1.00 0.00 C ATOM 328 C GLY A 704 50.636 -5.539 -5.650 1.00 0.00 C ATOM 329 O GLY A 704 51.868 -5.492 -5.670 1.00 0.00 O ATOM 0 H GLY A 704 47.796 -6.471 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.508 -7.023 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.577 -5.574 -7.524 1.00 0.00 H new ATOM 333 N LEU A 705 49.905 -5.021 -4.666 1.00 0.00 N ATOM 334 CA LEU A 705 50.527 -4.346 -3.531 1.00 0.00 C ATOM 335 C LEU A 705 51.191 -5.357 -2.604 1.00 0.00 C ATOM 336 O LEU A 705 52.123 -5.020 -1.877 1.00 0.00 O ATOM 337 CB LEU A 705 49.476 -3.554 -2.748 1.00 0.00 C ATOM 338 CG LEU A 705 48.893 -2.450 -3.637 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.717 -1.781 -2.915 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.973 -1.407 -3.936 1.00 0.00 C ATOM 0 H LEU A 705 48.886 -5.056 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 705 51.286 -3.664 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.682 -4.220 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.926 -3.117 -1.857 1.00 0.00 H new ATOM 0 HG LEU A 705 48.544 -2.885 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.302 -0.996 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.947 -2.524 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.065 -1.347 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.556 -0.623 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.326 -0.971 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.807 -1.884 -4.451 1.00 0.00 H new ATOM 352 N MET A 706 50.623 -6.557 -2.546 1.00 0.00 N ATOM 353 CA MET A 706 51.132 -7.586 -1.650 1.00 0.00 C ATOM 354 C MET A 706 52.462 -8.129 -2.164 1.00 0.00 C ATOM 355 O MET A 706 53.478 -8.056 -1.474 1.00 0.00 O ATOM 356 CB MET A 706 50.123 -8.733 -1.536 1.00 0.00 C ATOM 357 CG MET A 706 50.318 -9.446 -0.196 1.00 0.00 C ATOM 358 SD MET A 706 49.479 -11.049 -0.234 1.00 0.00 S ATOM 359 CE MET A 706 47.845 -10.475 0.297 1.00 0.00 C ATOM 0 H MET A 706 49.817 -6.838 -3.104 1.00 0.00 H new ATOM 0 HA MET A 706 51.285 -7.140 -0.667 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.106 -8.347 -1.611 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.259 -9.436 -2.358 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.381 -9.585 0.002 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.920 -8.835 0.614 1.00 0.00 H new ATOM 0 HE1 MET A 706 47.159 -11.321 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.923 -10.018 1.284 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.469 -9.740 -0.415 1.00 0.00 H new ATOM 369 N VAL A 707 52.475 -8.515 -3.438 1.00 0.00 N ATOM 370 CA VAL A 707 53.671 -9.094 -4.042 1.00 0.00 C ATOM 371 C VAL A 707 54.728 -8.017 -4.269 1.00 0.00 C ATOM 372 O VAL A 707 55.911 -8.234 -4.002 1.00 0.00 O ATOM 373 CB VAL A 707 53.317 -9.759 -5.379 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.286 -10.871 -5.149 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.737 -8.715 -6.340 1.00 0.00 C ATOM 0 H VAL A 707 51.676 -8.438 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 707 54.072 -9.845 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 707 54.220 -10.188 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.038 -11.340 -6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.702 -11.619 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.384 -10.446 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.487 -9.192 -7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.837 -8.280 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL A 707 53.473 -7.930 -6.512 1.00 0.00 H new ATOM 385 N GLY A 708 54.268 -6.810 -4.591 1.00 0.00 N ATOM 386 CA GLY A 708 55.170 -5.681 -4.795 1.00 0.00 C ATOM 387 C GLY A 708 55.497 -4.997 -3.470 1.00 0.00 C ATOM 388 O GLY A 708 56.402 -4.164 -3.403 1.00 0.00 O ATOM 0 H GLY A 708 53.280 -6.590 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.090 -6.026 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.712 -4.963 -5.476 1.00 0.00 H new ATOM 392 N GLY A 709 54.861 -5.463 -2.396 1.00 0.00 N ATOM 393 CA GLY A 709 55.056 -4.863 -1.080 1.00 0.00 C ATOM 394 C GLY A 709 56.278 -5.453 -0.385 1.00 0.00 C ATOM 395 O GLY A 709 56.399 -5.385 0.839 1.00 0.00 O ATOM 0 H GLY A 709 54.211 -6.249 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.177 -3.785 -1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.170 -5.027 -0.467 1.00 0.00 H new ATOM 399 N VAL A 710 57.149 -6.088 -1.166 1.00 0.00 N ATOM 400 CA VAL A 710 58.393 -6.633 -0.631 1.00 0.00 C ATOM 401 C VAL A 710 59.412 -5.521 -0.394 1.00 0.00 C ATOM 402 O VAL A 710 60.139 -5.538 0.601 1.00 0.00 O ATOM 403 CB VAL A 710 58.975 -7.666 -1.606 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.013 -8.854 -1.727 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.177 -7.028 -2.986 1.00 0.00 C ATOM 0 H VAL A 710 57.017 -6.237 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 710 58.174 -7.116 0.322 1.00 0.00 H new ATOM 0 HB VAL A 710 59.937 -8.012 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.426 -9.588 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.878 -9.314 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.050 -8.506 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.590 -7.768 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.219 -6.675 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.866 -6.187 -2.901 1.00 0.00 H new ATOM 415 N VAL A 711 59.386 -4.506 -1.253 1.00 0.00 N ATOM 416 CA VAL A 711 60.328 -3.398 -1.146 1.00 0.00 C ATOM 417 C VAL A 711 59.904 -2.440 -0.037 1.00 0.00 C ATOM 418 O VAL A 711 60.692 -2.126 0.855 1.00 0.00 O ATOM 419 CB VAL A 711 60.408 -2.644 -2.479 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.457 -1.533 -2.380 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.797 -3.619 -3.597 1.00 0.00 C ATOM 0 H VAL A 711 58.726 -4.428 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 711 61.310 -3.803 -0.903 1.00 0.00 H new ATOM 0 HB VAL A 711 59.437 -2.204 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.512 -0.999 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.178 -0.838 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.429 -1.970 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.854 -3.083 -4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.767 -4.062 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.047 -4.406 -3.670 1.00 0.00 H new ATOM 431 N ILE A 712 58.617 -2.101 -0.014 1.00 0.00 N ATOM 432 CA ILE A 712 58.090 -1.200 1.005 1.00 0.00 C ATOM 433 C ILE A 712 58.118 -1.866 2.379 1.00 0.00 C ATOM 434 O ILE A 712 58.304 -1.197 3.396 1.00 0.00 O ATOM 435 CB ILE A 712 56.654 -0.792 0.651 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.231 0.404 1.515 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.704 -1.970 0.901 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.829 0.868 1.111 1.00 0.00 C ATOM 0 H ILE A 712 57.925 -2.435 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 712 58.718 -0.310 1.038 1.00 0.00 H new ATOM 0 HB ILE A 712 56.609 -0.512 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.242 0.125 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.943 1.221 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.685 -1.676 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.002 -2.816 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 712 55.749 -2.257 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.535 1.717 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.832 1.165 0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.120 0.052 1.255 1.00 0.00 H new ATOM 450 N ALA A 713 58.082 -3.198 2.386 1.00 0.00 N ATOM 451 CA ALA A 713 58.129 -3.950 3.635 1.00 0.00 C ATOM 452 C ALA A 713 59.440 -3.689 4.368 1.00 0.00 C ATOM 453 O ALA A 713 59.436 -3.130 5.465 1.00 0.00 O ATOM 454 CB ALA A 713 57.989 -5.448 3.350 1.00 0.00 C ATOM 0 H ALA A 713 58.021 -3.773 1.546 1.00 0.00 H new ATOM 0 HA ALA A 713 57.302 -3.623 4.266 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.025 -6.002 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.037 -5.637 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.805 -5.773 2.705 1.00 0.00 H new ATOM 460 N THR A 714 60.547 -3.848 3.647 1.00 0.00 N ATOM 461 CA THR A 714 61.871 -3.685 4.241 1.00 0.00 C ATOM 462 C THR A 714 62.076 -2.246 4.710 1.00 0.00 C ATOM 463 O THR A 714 62.613 -2.013 5.793 1.00 0.00 O ATOM 464 CB THR A 714 62.950 -4.050 3.217 1.00 0.00 C ATOM 465 OG1 THR A 714 62.735 -3.316 2.020 1.00 0.00 O ATOM 466 CG2 THR A 714 62.883 -5.550 2.915 1.00 0.00 C ATOM 0 H THR A 714 60.554 -4.088 2.656 1.00 0.00 H new ATOM 0 HA THR A 714 61.947 -4.349 5.102 1.00 0.00 H new ATOM 0 HB THR A 714 63.932 -3.805 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.878 -2.844 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.651 -5.809 2.186 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.049 -6.114 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.901 -5.796 2.510 1.00 0.00 H new ATOM 474 N VAL A 715 61.452 -1.310 3.997 1.00 0.00 N ATOM 475 CA VAL A 715 61.518 0.099 4.370 1.00 0.00 C ATOM 476 C VAL A 715 60.772 0.344 5.680 1.00 0.00 C ATOM 477 O VAL A 715 61.306 0.960 6.601 1.00 0.00 O ATOM 478 CB VAL A 715 60.905 0.957 3.257 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.857 2.424 3.700 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.755 0.836 1.990 1.00 0.00 C ATOM 0 H VAL A 715 60.898 -1.502 3.162 1.00 0.00 H new ATOM 0 HA VAL A 715 62.564 0.374 4.509 1.00 0.00 H new ATOM 0 HB VAL A 715 59.893 0.608 3.052 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.421 3.030 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.248 2.513 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.868 2.774 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.318 1.446 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.768 1.181 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.785 -0.206 1.670 1.00 0.00 H new ATOM 490 N ILE A 716 59.579 -0.233 5.790 1.00 0.00 N ATOM 491 CA ILE A 716 58.779 -0.091 7.002 1.00 0.00 C ATOM 492 C ILE A 716 59.410 -0.871 8.152 1.00 0.00 C ATOM 493 O ILE A 716 59.535 -0.355 9.263 1.00 0.00 O ATOM 494 CB ILE A 716 57.355 -0.599 6.751 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.672 0.287 5.701 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.553 -0.554 8.057 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.476 -0.454 5.100 1.00 0.00 C ATOM 0 H ILE A 716 59.147 -0.800 5.060 1.00 0.00 H new ATOM 0 HA ILE A 716 58.742 0.964 7.272 1.00 0.00 H new ATOM 0 HB ILE A 716 57.398 -1.626 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.342 1.220 6.158 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.381 0.550 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.541 -0.916 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.036 -1.186 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.511 0.472 8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 716 54.993 0.178 4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.818 -1.375 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.763 -0.694 5.889 1.00 0.00 H new ATOM 509 N VAL A 717 59.986 -2.024 7.821 1.00 0.00 N ATOM 510 CA VAL A 717 60.550 -2.907 8.837 1.00 0.00 C ATOM 511 C VAL A 717 61.820 -2.299 9.424 1.00 0.00 C ATOM 512 O VAL A 717 61.914 -2.098 10.635 1.00 0.00 O ATOM 513 CB VAL A 717 60.869 -4.276 8.221 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.582 -5.155 9.256 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.569 -4.958 7.781 1.00 0.00 C ATOM 0 H VAL A 717 60.074 -2.366 6.864 1.00 0.00 H new ATOM 0 HA VAL A 717 59.818 -3.032 9.635 1.00 0.00 H new ATOM 0 HB VAL A 717 61.517 -4.138 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.807 -6.126 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.510 -4.673 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.937 -5.291 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.798 -5.930 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.918 -5.093 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.065 -4.337 7.041 1.00 0.00 H new ATOM 525 N ILE A 718 62.702 -1.837 8.543 1.00 0.00 N ATOM 526 CA ILE A 718 63.998 -1.320 8.969 1.00 0.00 C ATOM 527 C ILE A 718 63.824 -0.016 9.748 1.00 0.00 C ATOM 528 O ILE A 718 64.541 0.231 10.719 1.00 0.00 O ATOM 529 CB ILE A 718 64.897 -1.090 7.743 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.370 -1.115 8.169 1.00 0.00 C ATOM 531 CG2 ILE A 718 64.572 0.263 7.099 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.927 -2.531 8.000 1.00 0.00 C ATOM 0 H ILE A 718 62.545 -1.810 7.536 1.00 0.00 H new ATOM 0 HA ILE A 718 64.470 -2.052 9.624 1.00 0.00 H new ATOM 0 HB ILE A 718 64.716 -1.883 7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.946 -0.412 7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.465 -0.797 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.214 0.417 6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 718 63.528 0.275 6.785 1.00 0.00 H new ATOM 0 HG23 ILE A 718 64.742 1.060 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.974 -2.549 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.358 -3.222 8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.846 -2.831 6.955 1.00 0.00 H new ATOM 544 N THR A 719 62.738 0.697 9.453 1.00 0.00 N ATOM 545 CA THR A 719 62.354 1.860 10.246 1.00 0.00 C ATOM 546 C THR A 719 61.866 1.431 11.626 1.00 0.00 C ATOM 547 O THR A 719 62.336 1.940 12.644 1.00 0.00 O ATOM 548 CB THR A 719 61.249 2.641 9.528 1.00 0.00 C ATOM 549 OG1 THR A 719 61.696 3.008 8.231 1.00 0.00 O ATOM 550 CG2 THR A 719 60.907 3.903 10.324 1.00 0.00 C ATOM 0 H THR A 719 62.112 0.490 8.674 1.00 0.00 H new ATOM 0 HA THR A 719 63.229 2.499 10.367 1.00 0.00 H new ATOM 0 HB THR A 719 60.361 2.015 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.274 2.428 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.121 4.456 9.810 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.562 3.623 11.319 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.794 4.530 10.410 1.00 0.00 H new ATOM 558 N LEU A 720 61.008 0.414 11.654 1.00 0.00 N ATOM 559 CA LEU A 720 60.387 -0.018 12.902 1.00 0.00 C ATOM 560 C LEU A 720 61.437 -0.567 13.861 1.00 0.00 C ATOM 561 O LEU A 720 61.364 -0.343 15.070 1.00 0.00 O ATOM 562 CB LEU A 720 59.339 -1.100 12.618 1.00 0.00 C ATOM 563 CG LEU A 720 57.942 -0.572 12.967 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.887 -1.578 12.502 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.828 -0.372 14.485 1.00 0.00 C ATOM 0 H LEU A 720 60.729 -0.123 10.833 1.00 0.00 H new ATOM 0 HA LEU A 720 59.905 0.844 13.363 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.377 -1.390 11.568 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.557 -1.993 13.203 1.00 0.00 H new ATOM 0 HG LEU A 720 57.781 0.383 12.466 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.894 -1.204 12.749 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.965 -1.715 11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.050 -2.533 13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.834 0.003 14.729 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.991 -1.324 14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.578 0.347 14.815 1.00 0.00 H new ATOM 577 N VAL A 721 62.472 -1.187 13.299 1.00 0.00 N ATOM 578 CA VAL A 721 63.601 -1.655 14.095 1.00 0.00 C ATOM 579 C VAL A 721 64.229 -0.496 14.866 1.00 0.00 C ATOM 580 O VAL A 721 64.446 -0.593 16.074 1.00 0.00 O ATOM 581 CB VAL A 721 64.652 -2.298 13.182 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.942 -2.544 13.971 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.120 -3.632 12.649 1.00 0.00 C ATOM 0 H VAL A 721 62.551 -1.376 12.300 1.00 0.00 H new ATOM 0 HA VAL A 721 63.239 -2.396 14.808 1.00 0.00 H new ATOM 0 HB VAL A 721 64.861 -1.628 12.348 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.686 -3.001 13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.324 -1.596 14.349 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.735 -3.211 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.867 -4.089 12.000 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.908 -4.299 13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.205 -3.459 12.083 1.00 0.00 H new ATOM 593 N MET A 722 64.331 0.655 14.205 1.00 0.00 N ATOM 594 CA MET A 722 64.969 1.819 14.813 1.00 0.00 C ATOM 595 C MET A 722 64.007 2.516 15.770 1.00 0.00 C ATOM 596 O MET A 722 64.426 3.073 16.785 1.00 0.00 O ATOM 597 CB MET A 722 65.414 2.801 13.725 1.00 0.00 C ATOM 598 CG MET A 722 66.641 2.243 12.995 1.00 0.00 C ATOM 599 SD MET A 722 68.135 3.062 13.612 1.00 0.00 S ATOM 600 CE MET A 722 68.280 4.310 12.306 1.00 0.00 C ATOM 0 H MET A 722 63.984 0.806 13.258 1.00 0.00 H new ATOM 0 HA MET A 722 65.841 1.482 15.373 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.602 2.967 13.017 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.652 3.768 14.169 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.712 1.167 13.152 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.543 2.403 11.921 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.153 4.935 12.495 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.390 3.816 11.341 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.384 4.931 12.295 1.00 0.00 H new ATOM 610 N LEU A 723 62.708 2.387 15.495 1.00 0.00 N ATOM 611 CA LEU A 723 61.684 2.957 16.369 1.00 0.00 C ATOM 612 C LEU A 723 61.653 2.227 17.709 1.00 0.00 C ATOM 613 O LEU A 723 61.323 2.821 18.735 1.00 0.00 O ATOM 614 CB LEU A 723 60.303 2.859 15.706 1.00 0.00 C ATOM 615 CG LEU A 723 60.240 3.784 14.485 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.885 3.612 13.788 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.402 5.241 14.928 1.00 0.00 C ATOM 0 H LEU A 723 62.343 1.896 14.679 1.00 0.00 H new ATOM 0 HA LEU A 723 61.931 4.005 16.540 1.00 0.00 H new ATOM 0 HB2 LEU A 723 60.108 1.830 15.403 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.527 3.133 16.421 1.00 0.00 H new ATOM 0 HG LEU A 723 61.044 3.526 13.796 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.837 4.268 12.919 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.770 2.577 13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.084 3.868 14.481 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.356 5.894 14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.601 5.502 15.619 1.00 0.00 H new ATOM 0 HD23 LEU A 723 61.364 5.365 15.424 1.00 0.00 H new