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 180:sc= 0.0527 USER MOD Single : A 719 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.291 -5.635 -6.124 1.00 0.00 N ATOM 279 CA ALA A 701 44.577 -5.342 -6.746 1.00 0.00 C ATOM 280 C ALA A 701 45.712 -5.481 -5.735 1.00 0.00 C ATOM 281 O ALA A 701 46.846 -5.785 -6.102 1.00 0.00 O ATOM 282 CB ALA A 701 44.569 -3.920 -7.312 1.00 0.00 C ATOM 0 HA ALA A 701 44.738 -6.057 -7.553 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.532 -3.707 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.780 -3.830 -8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.389 -3.209 -6.506 1.00 0.00 H new ATOM 288 N ILE A 702 45.371 -5.366 -4.452 1.00 0.00 N ATOM 289 CA ILE A 702 46.375 -5.407 -3.392 1.00 0.00 C ATOM 290 C ILE A 702 47.126 -6.734 -3.416 1.00 0.00 C ATOM 291 O ILE A 702 48.346 -6.764 -3.266 1.00 0.00 O ATOM 292 CB ILE A 702 45.698 -5.224 -2.028 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.110 -3.810 -1.937 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.727 -5.427 -0.909 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.148 -3.722 -0.747 1.00 0.00 C ATOM 0 H ILE A 702 44.413 -5.244 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 702 47.087 -4.598 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 702 44.900 -5.958 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.911 -3.080 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.584 -3.565 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 702 46.243 -5.296 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 702 47.142 -6.433 -0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 702 47.529 -4.696 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.734 -2.716 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.339 -4.440 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 702 44.686 -3.948 0.174 1.00 0.00 H new ATOM 307 N ILE A 703 46.420 -7.793 -3.804 1.00 0.00 N ATOM 308 CA ILE A 703 47.024 -9.117 -3.900 1.00 0.00 C ATOM 309 C ILE A 703 48.189 -9.103 -4.885 1.00 0.00 C ATOM 310 O ILE A 703 49.310 -9.471 -4.533 1.00 0.00 O ATOM 311 CB ILE A 703 45.969 -10.131 -4.354 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.944 -10.337 -3.232 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.644 -11.468 -4.684 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.611 -10.801 -3.825 1.00 0.00 C ATOM 0 H ILE A 703 45.432 -7.760 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 703 47.404 -9.403 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 703 45.465 -9.754 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.313 -11.076 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.803 -9.407 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.890 -12.186 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.371 -11.321 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.151 -11.848 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.887 -10.946 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.239 -10.047 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.757 -11.742 -4.356 1.00 0.00 H new ATOM 326 N GLY A 704 47.974 -8.451 -6.025 1.00 0.00 N ATOM 327 CA GLY A 704 48.999 -8.376 -7.058 1.00 0.00 C ATOM 328 C GLY A 704 50.074 -7.357 -6.684 1.00 0.00 C ATOM 329 O GLY A 704 51.264 -7.672 -6.694 1.00 0.00 O ATOM 0 H GLY A 704 47.104 -7.970 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.454 -9.357 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.544 -8.098 -8.009 1.00 0.00 H new ATOM 333 N LEU A 705 49.632 -6.227 -6.134 1.00 0.00 N ATOM 334 CA LEU A 705 50.542 -5.135 -5.799 1.00 0.00 C ATOM 335 C LEU A 705 51.392 -5.492 -4.584 1.00 0.00 C ATOM 336 O LEU A 705 52.539 -5.058 -4.478 1.00 0.00 O ATOM 337 CB LEU A 705 49.741 -3.863 -5.507 1.00 0.00 C ATOM 338 CG LEU A 705 48.979 -3.434 -6.766 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.891 -2.424 -6.388 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.951 -2.794 -7.761 1.00 0.00 C ATOM 0 H LEU A 705 48.653 -6.045 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 705 51.203 -4.965 -6.649 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.042 -4.041 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.411 -3.065 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 705 48.517 -4.308 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.350 -2.120 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.197 -2.883 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.351 -1.550 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.408 -2.490 -8.656 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.417 -1.921 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.722 -3.516 -8.032 1.00 0.00 H new ATOM 352 N MET A 706 50.904 -6.443 -3.791 1.00 0.00 N ATOM 353 CA MET A 706 51.604 -6.850 -2.577 1.00 0.00 C ATOM 354 C MET A 706 52.863 -7.640 -2.926 1.00 0.00 C ATOM 355 O MET A 706 53.855 -7.597 -2.197 1.00 0.00 O ATOM 356 CB MET A 706 50.681 -7.708 -1.705 1.00 0.00 C ATOM 357 CG MET A 706 51.449 -8.223 -0.482 1.00 0.00 C ATOM 358 SD MET A 706 52.244 -9.796 -0.895 1.00 0.00 S ATOM 359 CE MET A 706 51.569 -10.769 0.476 1.00 0.00 C ATOM 0 H MET A 706 50.032 -6.943 -3.966 1.00 0.00 H new ATOM 0 HA MET A 706 51.893 -5.955 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.820 -7.121 -1.384 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.296 -8.548 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.198 -7.493 -0.175 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.769 -8.356 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.939 -11.792 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.881 -10.328 1.423 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.481 -10.772 0.418 1.00 0.00 H new ATOM 369 N VAL A 707 52.851 -8.271 -4.098 1.00 0.00 N ATOM 370 CA VAL A 707 54.040 -8.951 -4.600 1.00 0.00 C ATOM 371 C VAL A 707 55.179 -7.955 -4.798 1.00 0.00 C ATOM 372 O VAL A 707 56.300 -8.184 -4.339 1.00 0.00 O ATOM 373 CB VAL A 707 53.727 -9.643 -5.932 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.955 -10.430 -6.400 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.542 -10.601 -5.754 1.00 0.00 C ATOM 0 H VAL A 707 52.038 -8.325 -4.712 1.00 0.00 H new ATOM 0 HA VAL A 707 54.345 -9.698 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 707 53.471 -8.890 -6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.733 -10.922 -7.347 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.795 -9.748 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.213 -11.181 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.324 -11.090 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.792 -11.354 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.667 -10.040 -5.425 1.00 0.00 H new ATOM 385 N GLY A 708 54.837 -6.779 -5.318 1.00 0.00 N ATOM 386 CA GLY A 708 55.823 -5.723 -5.527 1.00 0.00 C ATOM 387 C GLY A 708 56.091 -4.959 -4.234 1.00 0.00 C ATOM 388 O GLY A 708 56.976 -4.103 -4.186 1.00 0.00 O ATOM 0 H GLY A 708 53.888 -6.534 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.752 -6.157 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.466 -5.034 -6.293 1.00 0.00 H new ATOM 392 N GLY A 709 55.440 -5.388 -3.153 1.00 0.00 N ATOM 393 CA GLY A 709 55.611 -4.741 -1.856 1.00 0.00 C ATOM 394 C GLY A 709 56.782 -5.351 -1.090 1.00 0.00 C ATOM 395 O GLY A 709 56.847 -5.257 0.136 1.00 0.00 O ATOM 0 H GLY A 709 54.793 -6.177 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.781 -3.674 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.697 -4.843 -1.271 1.00 0.00 H new ATOM 399 N VAL A 710 57.741 -5.907 -1.827 1.00 0.00 N ATOM 400 CA VAL A 710 58.974 -6.403 -1.221 1.00 0.00 C ATOM 401 C VAL A 710 59.899 -5.245 -0.859 1.00 0.00 C ATOM 402 O VAL A 710 60.529 -5.250 0.199 1.00 0.00 O ATOM 403 CB VAL A 710 59.696 -7.353 -2.187 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.106 -8.761 -2.056 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.529 -6.860 -3.630 1.00 0.00 C ATOM 0 H VAL A 710 57.689 -6.025 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 710 58.712 -6.944 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 710 60.757 -7.376 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.619 -9.436 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 710 59.235 -9.116 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 710 58.044 -8.734 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.044 -7.540 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.469 -6.828 -3.883 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.955 -5.861 -3.725 1.00 0.00 H new ATOM 415 N VAL A 711 60.012 -4.279 -1.766 1.00 0.00 N ATOM 416 CA VAL A 711 60.951 -3.177 -1.588 1.00 0.00 C ATOM 417 C VAL A 711 60.462 -2.231 -0.494 1.00 0.00 C ATOM 418 O VAL A 711 61.226 -1.857 0.397 1.00 0.00 O ATOM 419 CB VAL A 711 61.119 -2.410 -2.905 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.760 -1.875 -3.374 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.087 -1.239 -2.699 1.00 0.00 C ATOM 0 H VAL A 711 59.468 -4.237 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 711 61.915 -3.588 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 711 61.520 -3.084 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.886 -1.331 -4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.074 -2.708 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.352 -1.205 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.205 -0.695 -3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.689 -0.568 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 711 63.056 -1.620 -2.376 1.00 0.00 H new ATOM 431 N ILE A 712 59.149 -2.015 -0.459 1.00 0.00 N ATOM 432 CA ILE A 712 58.557 -1.121 0.530 1.00 0.00 C ATOM 433 C ILE A 712 58.451 -1.817 1.885 1.00 0.00 C ATOM 434 O ILE A 712 58.477 -1.167 2.930 1.00 0.00 O ATOM 435 CB ILE A 712 57.166 -0.674 0.062 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.690 0.505 0.922 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.177 -1.839 0.188 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.273 0.910 0.508 1.00 0.00 C ATOM 0 H ILE A 712 58.480 -2.443 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 712 59.199 -0.246 0.638 1.00 0.00 H new ATOM 0 HB ILE A 712 57.219 -0.362 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.706 0.228 1.976 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.369 1.350 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.191 -1.517 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.515 -2.671 -0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.122 -2.158 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.940 1.747 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.271 1.206 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.598 0.066 0.648 1.00 0.00 H new ATOM 450 N ALA A 713 58.391 -3.149 1.858 1.00 0.00 N ATOM 451 CA ALA A 713 58.369 -3.931 3.089 1.00 0.00 C ATOM 452 C ALA A 713 59.639 -3.690 3.898 1.00 0.00 C ATOM 453 O ALA A 713 59.575 -3.133 4.993 1.00 0.00 O ATOM 454 CB ALA A 713 58.241 -5.422 2.762 1.00 0.00 C ATOM 0 H ALA A 713 58.357 -3.703 1.002 1.00 0.00 H new ATOM 0 HA ALA A 713 57.510 -3.617 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.225 -5.997 3.688 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.317 -5.596 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.090 -5.735 2.154 1.00 0.00 H new ATOM 460 N THR A 714 60.782 -3.818 3.227 1.00 0.00 N ATOM 461 CA THR A 714 62.074 -3.617 3.880 1.00 0.00 C ATOM 462 C THR A 714 62.169 -2.206 4.453 1.00 0.00 C ATOM 463 O THR A 714 62.525 -2.028 5.618 1.00 0.00 O ATOM 464 CB THR A 714 63.209 -3.835 2.873 1.00 0.00 C ATOM 465 OG1 THR A 714 62.809 -4.793 1.904 1.00 0.00 O ATOM 466 CG2 THR A 714 64.456 -4.341 3.604 1.00 0.00 C ATOM 0 H THR A 714 60.840 -4.058 2.237 1.00 0.00 H new ATOM 0 HA THR A 714 62.165 -4.337 4.693 1.00 0.00 H new ATOM 0 HB THR A 714 63.436 -2.891 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.535 -4.930 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.261 -4.495 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.767 -3.605 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.229 -5.284 4.102 1.00 0.00 H new ATOM 474 N VAL A 715 61.628 -1.246 3.709 1.00 0.00 N ATOM 475 CA VAL A 715 61.655 0.151 4.127 1.00 0.00 C ATOM 476 C VAL A 715 60.817 0.347 5.388 1.00 0.00 C ATOM 477 O VAL A 715 61.341 0.737 6.432 1.00 0.00 O ATOM 478 CB VAL A 715 61.107 1.038 3.001 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.133 2.506 3.437 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.966 0.862 1.743 1.00 0.00 C ATOM 0 H VAL A 715 61.166 -1.410 2.814 1.00 0.00 H new ATOM 0 HA VAL A 715 62.686 0.431 4.344 1.00 0.00 H new ATOM 0 HB VAL A 715 60.080 0.746 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.743 3.131 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.517 2.632 4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.158 2.801 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.575 1.493 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.995 1.149 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.940 -0.181 1.427 1.00 0.00 H new ATOM 490 N ILE A 716 59.583 -0.144 5.335 1.00 0.00 N ATOM 491 CA ILE A 716 58.667 -0.033 6.466 1.00 0.00 C ATOM 492 C ILE A 716 59.168 -0.863 7.646 1.00 0.00 C ATOM 493 O ILE A 716 58.994 -0.480 8.805 1.00 0.00 O ATOM 494 CB ILE A 716 57.272 -0.513 6.039 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.555 0.607 5.268 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.449 -0.907 7.273 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.063 1.689 6.238 1.00 0.00 C ATOM 0 H ILE A 716 59.194 -0.622 4.522 1.00 0.00 H new ATOM 0 HA ILE A 716 58.614 1.010 6.779 1.00 0.00 H new ATOM 0 HB ILE A 716 57.377 -1.385 5.394 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.233 1.046 4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.712 0.195 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.462 -1.246 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.956 -1.711 7.807 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.344 -0.044 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.557 2.476 5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.368 1.248 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 716 56.913 2.113 6.772 1.00 0.00 H new ATOM 509 N VAL A 717 59.739 -2.025 7.343 1.00 0.00 N ATOM 510 CA VAL A 717 60.169 -2.953 8.383 1.00 0.00 C ATOM 511 C VAL A 717 61.369 -2.386 9.136 1.00 0.00 C ATOM 512 O VAL A 717 61.393 -2.387 10.367 1.00 0.00 O ATOM 513 CB VAL A 717 60.539 -4.303 7.754 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.291 -5.162 8.776 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.265 -5.032 7.315 1.00 0.00 C ATOM 0 H VAL A 717 59.914 -2.345 6.390 1.00 0.00 H new ATOM 0 HA VAL A 717 59.349 -3.096 9.087 1.00 0.00 H new ATOM 0 HB VAL A 717 61.177 -4.131 6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.552 -6.119 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.201 -4.647 9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.656 -5.331 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.530 -5.990 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.625 -5.200 8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.733 -4.425 6.582 1.00 0.00 H new ATOM 525 N ILE A 718 62.269 -1.745 8.395 1.00 0.00 N ATOM 526 CA ILE A 718 63.477 -1.182 8.991 1.00 0.00 C ATOM 527 C ILE A 718 63.118 -0.043 9.944 1.00 0.00 C ATOM 528 O ILE A 718 63.703 0.080 11.022 1.00 0.00 O ATOM 529 CB ILE A 718 64.409 -0.666 7.884 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.125 -1.851 7.224 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.450 0.288 8.482 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.730 -1.408 5.888 1.00 0.00 C ATOM 0 H ILE A 718 62.186 -1.603 7.388 1.00 0.00 H new ATOM 0 HA ILE A 718 63.988 -1.961 9.557 1.00 0.00 H new ATOM 0 HB ILE A 718 63.818 -0.133 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.908 -2.228 7.882 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.423 -2.669 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.108 0.650 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.944 1.133 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.040 -0.240 9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.238 -2.252 5.421 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.937 -1.052 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.446 -0.604 6.061 1.00 0.00 H new ATOM 544 N THR A 719 62.064 0.694 9.605 1.00 0.00 N ATOM 545 CA THR A 719 61.575 1.764 10.468 1.00 0.00 C ATOM 546 C THR A 719 60.848 1.191 11.682 1.00 0.00 C ATOM 547 O THR A 719 60.880 1.772 12.766 1.00 0.00 O ATOM 548 CB THR A 719 60.623 2.677 9.685 1.00 0.00 C ATOM 549 OG1 THR A 719 60.038 1.950 8.615 1.00 0.00 O ATOM 550 CG2 THR A 719 61.399 3.870 9.123 1.00 0.00 C ATOM 0 H THR A 719 61.534 0.570 8.742 1.00 0.00 H new ATOM 0 HA THR A 719 62.432 2.342 10.813 1.00 0.00 H new ATOM 0 HB THR A 719 59.840 3.035 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.470 1.238 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.720 4.517 8.567 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.846 4.432 9.943 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.185 3.512 8.458 1.00 0.00 H new ATOM 558 N LEU A 720 60.160 0.069 11.481 1.00 0.00 N ATOM 559 CA LEU A 720 59.442 -0.583 12.572 1.00 0.00 C ATOM 560 C LEU A 720 60.410 -1.029 13.662 1.00 0.00 C ATOM 561 O LEU A 720 60.108 -0.922 14.851 1.00 0.00 O ATOM 562 CB LEU A 720 58.675 -1.798 12.039 1.00 0.00 C ATOM 563 CG LEU A 720 57.612 -2.226 13.060 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.259 -1.618 12.679 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.500 -3.753 13.074 1.00 0.00 C ATOM 0 H LEU A 720 60.085 -0.404 10.580 1.00 0.00 H new ATOM 0 HA LEU A 720 58.740 0.133 12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.202 -1.553 11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.364 -2.621 11.850 1.00 0.00 H new ATOM 0 HG LEU A 720 57.901 -1.874 14.050 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.506 -1.923 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.338 -0.531 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 720 55.970 -1.967 11.688 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.745 -4.056 13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.214 -4.106 12.083 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.462 -4.186 13.349 1.00 0.00 H new ATOM 577 N VAL A 721 61.627 -1.382 13.254 1.00 0.00 N ATOM 578 CA VAL A 721 62.657 -1.792 14.206 1.00 0.00 C ATOM 579 C VAL A 721 63.083 -0.611 15.076 1.00 0.00 C ATOM 580 O VAL A 721 63.439 -0.789 16.243 1.00 0.00 O ATOM 581 CB VAL A 721 63.877 -2.347 13.462 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.896 -2.876 14.477 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.445 -3.486 12.530 1.00 0.00 C ATOM 0 H VAL A 721 61.923 -1.393 12.278 1.00 0.00 H new ATOM 0 HA VAL A 721 62.241 -2.571 14.845 1.00 0.00 H new ATOM 0 HB VAL A 721 64.329 -1.551 12.870 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.764 -3.271 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.209 -2.065 15.135 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.441 -3.669 15.070 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.316 -3.876 12.004 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.988 -4.283 13.117 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.723 -3.109 11.806 1.00 0.00 H new ATOM 593 N MET A 722 62.947 0.598 14.538 1.00 0.00 N ATOM 594 CA MET A 722 63.286 1.801 15.291 1.00 0.00 C ATOM 595 C MET A 722 62.150 2.177 16.238 1.00 0.00 C ATOM 596 O MET A 722 62.391 2.603 17.368 1.00 0.00 O ATOM 597 CB MET A 722 63.560 2.962 14.330 1.00 0.00 C ATOM 598 CG MET A 722 64.935 2.779 13.677 1.00 0.00 C ATOM 599 SD MET A 722 66.203 3.539 14.722 1.00 0.00 S ATOM 600 CE MET A 722 67.426 2.208 14.612 1.00 0.00 C ATOM 0 H MET A 722 62.607 0.770 13.592 1.00 0.00 H new ATOM 0 HA MET A 722 64.182 1.599 15.878 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.786 3.003 13.564 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.526 3.909 14.869 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.147 1.718 13.542 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.943 3.235 12.687 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.307 2.474 15.196 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.996 1.286 15.003 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.712 2.062 13.570 1.00 0.00 H new ATOM 610 N LEU A 723 60.923 1.872 15.825 1.00 0.00 N ATOM 611 CA LEU A 723 59.759 2.098 16.675 1.00 0.00 C ATOM 612 C LEU A 723 59.627 0.978 17.708 1.00 0.00 C ATOM 613 O LEU A 723 60.148 1.100 18.818 1.00 0.00 O ATOM 614 CB LEU A 723 58.491 2.167 15.816 1.00 0.00 C ATOM 615 CG LEU A 723 58.609 3.306 14.793 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.432 3.234 13.819 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.593 4.660 15.511 1.00 0.00 C ATOM 0 H LEU A 723 60.710 1.470 14.912 1.00 0.00 H new ATOM 0 HA LEU A 723 59.889 3.044 17.200 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.339 1.219 15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.620 2.327 16.451 1.00 0.00 H new ATOM 0 HG LEU A 723 59.547 3.202 14.248 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.512 4.041 13.091 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.447 2.275 13.301 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.497 3.334 14.370 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.677 5.462 14.777 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.659 4.769 16.062 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.432 4.714 16.205 1.00 0.00 H new