USER MOD reduce.3.24.130724 H: found=0, std=0, add=192, rem=0, adj=3 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= 0.0278 USER MOD Single : A 719 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 722 MET CE :methyl 162:sc= 0 (180deg=-0.00311) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 44.414 -3.557 -6.625 1.00 0.00 N ATOM 279 CA ALA A 701 45.747 -2.982 -6.474 1.00 0.00 C ATOM 280 C ALA A 701 46.452 -3.572 -5.258 1.00 0.00 C ATOM 281 O ALA A 701 47.590 -4.024 -5.356 1.00 0.00 O ATOM 282 CB ALA A 701 45.647 -1.463 -6.317 1.00 0.00 C ATOM 0 HA ALA A 701 46.325 -3.219 -7.367 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.646 -1.042 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 701 45.171 -1.037 -7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.053 -1.227 -5.434 1.00 0.00 H new ATOM 288 N ILE A 702 45.699 -3.731 -4.170 1.00 0.00 N ATOM 289 CA ILE A 702 46.257 -4.268 -2.932 1.00 0.00 C ATOM 290 C ILE A 702 46.906 -5.628 -3.183 1.00 0.00 C ATOM 291 O ILE A 702 48.077 -5.826 -2.860 1.00 0.00 O ATOM 292 CB ILE A 702 45.147 -4.398 -1.879 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.899 -3.029 -1.233 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.562 -5.404 -0.798 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.538 -3.025 -0.529 1.00 0.00 C ATOM 0 H ILE A 702 44.707 -3.497 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 702 47.023 -3.585 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 702 44.235 -4.750 -2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.690 -2.806 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.928 -2.248 -1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.768 -5.489 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.737 -6.378 -1.255 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.476 -5.061 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.368 -2.050 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.752 -3.227 -1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.525 -3.795 0.243 1.00 0.00 H new ATOM 307 N ILE A 703 46.232 -6.451 -3.982 1.00 0.00 N ATOM 308 CA ILE A 703 46.749 -7.775 -4.318 1.00 0.00 C ATOM 309 C ILE A 703 47.991 -7.660 -5.199 1.00 0.00 C ATOM 310 O ILE A 703 49.007 -8.306 -4.940 1.00 0.00 O ATOM 311 CB ILE A 703 45.668 -8.582 -5.049 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.500 -8.853 -4.094 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.255 -9.915 -5.531 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.233 -9.149 -4.899 1.00 0.00 C ATOM 0 H ILE A 703 45.332 -6.227 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 703 47.024 -8.286 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 703 45.312 -8.013 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.736 -9.697 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.338 -7.990 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.485 -10.486 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.084 -9.722 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.614 -10.485 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.405 -9.341 -4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.993 -8.292 -5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.397 -10.025 -5.526 1.00 0.00 H new ATOM 326 N GLY A 704 47.897 -6.841 -6.244 1.00 0.00 N ATOM 327 CA GLY A 704 49.002 -6.681 -7.185 1.00 0.00 C ATOM 328 C GLY A 704 50.194 -6.001 -6.517 1.00 0.00 C ATOM 329 O GLY A 704 51.344 -6.236 -6.888 1.00 0.00 O ATOM 0 H GLY A 704 47.072 -6.281 -6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.303 -7.656 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.674 -6.090 -8.040 1.00 0.00 H new ATOM 333 N LEU A 705 49.907 -5.179 -5.510 1.00 0.00 N ATOM 334 CA LEU A 705 50.958 -4.525 -4.739 1.00 0.00 C ATOM 335 C LEU A 705 51.518 -5.469 -3.682 1.00 0.00 C ATOM 336 O LEU A 705 52.563 -5.192 -3.091 1.00 0.00 O ATOM 337 CB LEU A 705 50.397 -3.274 -4.059 1.00 0.00 C ATOM 338 CG LEU A 705 50.063 -2.217 -5.117 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.267 -1.084 -4.465 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.357 -1.657 -5.715 1.00 0.00 C ATOM 0 H LEU A 705 48.959 -4.952 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 705 51.762 -4.245 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.503 -3.528 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.124 -2.876 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 705 49.470 -2.672 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.027 -0.330 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.344 -1.483 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.862 -0.631 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.115 -0.906 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.955 -1.201 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.923 -2.465 -6.178 1.00 0.00 H new ATOM 352 N MET A 706 50.735 -6.484 -3.322 1.00 0.00 N ATOM 353 CA MET A 706 51.131 -7.403 -2.261 1.00 0.00 C ATOM 354 C MET A 706 52.337 -8.229 -2.697 1.00 0.00 C ATOM 355 O MET A 706 53.372 -8.229 -2.029 1.00 0.00 O ATOM 356 CB MET A 706 49.971 -8.338 -1.906 1.00 0.00 C ATOM 357 CG MET A 706 50.305 -9.100 -0.621 1.00 0.00 C ATOM 358 SD MET A 706 50.247 -7.966 0.788 1.00 0.00 S ATOM 359 CE MET A 706 51.438 -8.842 1.834 1.00 0.00 C ATOM 0 H MET A 706 49.830 -6.689 -3.746 1.00 0.00 H new ATOM 0 HA MET A 706 51.399 -6.816 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.054 -7.763 -1.773 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.792 -9.039 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.596 -9.915 -0.475 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.295 -9.549 -0.699 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.559 -8.306 2.775 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.074 -9.850 2.034 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.399 -8.898 1.323 1.00 0.00 H new ATOM 369 N VAL A 707 52.246 -8.805 -3.893 1.00 0.00 N ATOM 370 CA VAL A 707 53.343 -9.599 -4.437 1.00 0.00 C ATOM 371 C VAL A 707 54.553 -8.716 -4.730 1.00 0.00 C ATOM 372 O VAL A 707 55.686 -9.086 -4.417 1.00 0.00 O ATOM 373 CB VAL A 707 52.896 -10.306 -5.725 1.00 0.00 C ATOM 374 CG1 VAL A 707 51.905 -11.420 -5.377 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.225 -9.299 -6.666 1.00 0.00 C ATOM 0 H VAL A 707 51.429 -8.737 -4.500 1.00 0.00 H new ATOM 0 HA VAL A 707 53.625 -10.346 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 707 53.767 -10.734 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.587 -11.923 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.385 -12.140 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.036 -10.991 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.910 -9.807 -7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 707 51.355 -8.865 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 707 52.932 -8.508 -6.917 1.00 0.00 H new ATOM 385 N GLY A 708 54.284 -7.477 -5.134 1.00 0.00 N ATOM 386 CA GLY A 708 55.351 -6.516 -5.396 1.00 0.00 C ATOM 387 C GLY A 708 55.694 -5.724 -4.138 1.00 0.00 C ATOM 388 O GLY A 708 56.605 -4.895 -4.150 1.00 0.00 O ATOM 0 H GLY A 708 53.342 -7.117 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.238 -7.040 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.044 -5.833 -6.188 1.00 0.00 H new ATOM 392 N GLY A 709 55.080 -6.107 -3.019 1.00 0.00 N ATOM 393 CA GLY A 709 55.267 -5.384 -1.766 1.00 0.00 C ATOM 394 C GLY A 709 56.489 -5.903 -1.016 1.00 0.00 C ATOM 395 O GLY A 709 56.602 -5.730 0.199 1.00 0.00 O ATOM 0 H GLY A 709 54.453 -6.909 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.385 -4.320 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.379 -5.493 -1.143 1.00 0.00 H new ATOM 399 N VAL A 710 57.354 -6.619 -1.730 1.00 0.00 N ATOM 400 CA VAL A 710 58.565 -7.168 -1.128 1.00 0.00 C ATOM 401 C VAL A 710 59.575 -6.057 -0.856 1.00 0.00 C ATOM 402 O VAL A 710 60.108 -5.950 0.249 1.00 0.00 O ATOM 403 CB VAL A 710 59.186 -8.210 -2.067 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.418 -8.835 -1.401 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.155 -9.305 -2.375 1.00 0.00 C ATOM 0 H VAL A 710 57.240 -6.832 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 710 58.300 -7.642 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 710 59.486 -7.725 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.857 -9.575 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.151 -8.057 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.122 -9.318 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.598 -10.044 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.851 -9.790 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.283 -8.860 -2.855 1.00 0.00 H new ATOM 415 N VAL A 711 59.731 -5.160 -1.826 1.00 0.00 N ATOM 416 CA VAL A 711 60.699 -4.075 -1.704 1.00 0.00 C ATOM 417 C VAL A 711 60.251 -3.074 -0.643 1.00 0.00 C ATOM 418 O VAL A 711 61.007 -2.765 0.280 1.00 0.00 O ATOM 419 CB VAL A 711 60.870 -3.366 -3.056 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.521 -2.808 -3.530 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.875 -2.218 -2.908 1.00 0.00 C ATOM 0 H VAL A 711 59.204 -5.163 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 711 61.656 -4.498 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 711 61.238 -4.082 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.651 -2.307 -4.489 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.808 -3.625 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.144 -2.095 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.996 -1.715 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.508 -1.506 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.836 -2.616 -2.583 1.00 0.00 H new ATOM 431 N ILE A 712 58.959 -2.755 -0.650 1.00 0.00 N ATOM 432 CA ILE A 712 58.424 -1.746 0.260 1.00 0.00 C ATOM 433 C ILE A 712 58.300 -2.312 1.672 1.00 0.00 C ATOM 434 O ILE A 712 58.422 -1.579 2.655 1.00 0.00 O ATOM 435 CB ILE A 712 57.053 -1.266 -0.235 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.676 0.030 0.492 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.994 -2.340 0.042 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.282 0.487 0.055 1.00 0.00 C ATOM 0 H ILE A 712 58.268 -3.177 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 712 59.111 -0.900 0.283 1.00 0.00 H new ATOM 0 HB ILE A 712 57.100 -1.082 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.694 -0.129 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.408 0.807 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.023 -1.993 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.263 -3.259 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 712 55.942 -2.532 1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.021 1.408 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.278 0.664 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.553 -0.286 0.298 1.00 0.00 H new ATOM 450 N ALA A 713 58.141 -3.631 1.764 1.00 0.00 N ATOM 451 CA ALA A 713 58.087 -4.298 3.061 1.00 0.00 C ATOM 452 C ALA A 713 59.382 -4.073 3.831 1.00 0.00 C ATOM 453 O ALA A 713 59.364 -3.527 4.935 1.00 0.00 O ATOM 454 CB ALA A 713 57.863 -5.801 2.869 1.00 0.00 C ATOM 0 H ALA A 713 58.048 -4.254 0.962 1.00 0.00 H new ATOM 0 HA ALA A 713 57.258 -3.877 3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.824 -6.290 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.922 -5.964 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.683 -6.219 2.285 1.00 0.00 H new ATOM 460 N THR A 714 60.503 -4.267 3.143 1.00 0.00 N ATOM 461 CA THR A 714 61.810 -4.178 3.784 1.00 0.00 C ATOM 462 C THR A 714 62.097 -2.740 4.205 1.00 0.00 C ATOM 463 O THR A 714 62.478 -2.494 5.350 1.00 0.00 O ATOM 464 CB THR A 714 62.899 -4.662 2.822 1.00 0.00 C ATOM 465 OG1 THR A 714 62.406 -5.751 2.054 1.00 0.00 O ATOM 466 CG2 THR A 714 64.125 -5.117 3.619 1.00 0.00 C ATOM 0 H THR A 714 60.533 -4.486 2.147 1.00 0.00 H new ATOM 0 HA THR A 714 61.807 -4.812 4.671 1.00 0.00 H new ATOM 0 HB THR A 714 63.180 -3.845 2.158 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.103 -6.059 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.898 -5.461 2.932 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.507 -4.282 4.207 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.844 -5.932 4.286 1.00 0.00 H new ATOM 474 N VAL A 715 61.635 -1.800 3.385 1.00 0.00 N ATOM 475 CA VAL A 715 61.753 -0.383 3.712 1.00 0.00 C ATOM 476 C VAL A 715 61.033 -0.074 5.022 1.00 0.00 C ATOM 477 O VAL A 715 61.634 0.468 5.950 1.00 0.00 O ATOM 478 CB VAL A 715 61.154 0.464 2.583 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.206 1.947 2.965 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.955 0.240 1.296 1.00 0.00 C ATOM 0 H VAL A 715 61.178 -1.993 2.494 1.00 0.00 H new ATOM 0 HA VAL A 715 62.810 -0.141 3.827 1.00 0.00 H new ATOM 0 HB VAL A 715 60.117 0.169 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.779 2.545 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.634 2.108 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.242 2.245 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.529 0.842 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.993 0.532 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.914 -0.814 1.020 1.00 0.00 H new ATOM 490 N ILE A 716 59.835 -0.633 5.168 1.00 0.00 N ATOM 491 CA ILE A 716 59.051 -0.440 6.384 1.00 0.00 C ATOM 492 C ILE A 716 59.697 -1.172 7.558 1.00 0.00 C ATOM 493 O ILE A 716 59.744 -0.651 8.672 1.00 0.00 O ATOM 494 CB ILE A 716 57.620 -0.957 6.165 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.795 0.110 5.429 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.963 -1.282 7.514 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.370 1.217 6.403 1.00 0.00 C ATOM 0 H ILE A 716 59.388 -1.220 4.464 1.00 0.00 H new ATOM 0 HA ILE A 716 59.018 0.624 6.616 1.00 0.00 H new ATOM 0 HB ILE A 716 57.658 -1.865 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.382 0.537 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 716 55.913 -0.347 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.950 -1.647 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.545 -2.048 8.027 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.927 -0.382 8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.786 1.967 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.765 0.787 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.256 1.685 6.831 1.00 0.00 H new ATOM 509 N VAL A 717 60.239 -2.358 7.289 1.00 0.00 N ATOM 510 CA VAL A 717 60.817 -3.185 8.344 1.00 0.00 C ATOM 511 C VAL A 717 61.962 -2.447 9.033 1.00 0.00 C ATOM 512 O VAL A 717 61.937 -2.252 10.249 1.00 0.00 O ATOM 513 CB VAL A 717 61.333 -4.505 7.752 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.116 -5.279 8.817 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.148 -5.353 7.274 1.00 0.00 C ATOM 0 H VAL A 717 60.290 -2.765 6.355 1.00 0.00 H new ATOM 0 HA VAL A 717 60.043 -3.399 9.081 1.00 0.00 H new ATOM 0 HB VAL A 717 61.988 -4.287 6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.480 -6.215 8.393 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.962 -4.680 9.154 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.464 -5.494 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.516 -6.289 6.854 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.490 -5.567 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.594 -4.806 6.511 1.00 0.00 H new ATOM 525 N ILE A 718 62.837 -1.852 8.224 1.00 0.00 N ATOM 526 CA ILE A 718 63.970 -1.098 8.751 1.00 0.00 C ATOM 527 C ILE A 718 63.481 0.123 9.534 1.00 0.00 C ATOM 528 O ILE A 718 64.050 0.472 10.569 1.00 0.00 O ATOM 529 CB ILE A 718 64.885 -0.659 7.592 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.958 -1.729 7.344 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.573 0.669 7.931 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.298 -3.068 7.005 1.00 0.00 C ATOM 0 H ILE A 718 62.783 -1.878 7.206 1.00 0.00 H new ATOM 0 HA ILE A 718 64.536 -1.736 9.430 1.00 0.00 H new ATOM 0 HB ILE A 718 64.275 -0.531 6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.610 -1.419 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.585 -1.838 8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.216 0.967 7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.818 1.437 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.174 0.548 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.068 -3.820 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.665 -3.382 7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.690 -2.957 6.107 1.00 0.00 H new ATOM 544 N THR A 719 62.314 0.638 9.146 1.00 0.00 N ATOM 545 CA THR A 719 61.715 1.776 9.841 1.00 0.00 C ATOM 546 C THR A 719 61.105 1.330 11.166 1.00 0.00 C ATOM 547 O THR A 719 61.219 2.027 12.177 1.00 0.00 O ATOM 548 CB THR A 719 60.630 2.414 8.969 1.00 0.00 C ATOM 549 OG1 THR A 719 61.082 2.475 7.626 1.00 0.00 O ATOM 550 CG2 THR A 719 60.335 3.833 9.467 1.00 0.00 C ATOM 0 H THR A 719 61.768 0.287 8.359 1.00 0.00 H new ATOM 0 HA THR A 719 62.498 2.509 10.038 1.00 0.00 H new ATOM 0 HB THR A 719 59.722 1.813 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.013 1.587 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.562 4.284 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.990 3.792 10.500 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.243 4.434 9.411 1.00 0.00 H new ATOM 558 N LEU A 720 60.492 0.148 11.163 1.00 0.00 N ATOM 559 CA LEU A 720 59.857 -0.381 12.364 1.00 0.00 C ATOM 560 C LEU A 720 60.901 -0.665 13.439 1.00 0.00 C ATOM 561 O LEU A 720 60.673 -0.404 14.620 1.00 0.00 O ATOM 562 CB LEU A 720 59.102 -1.675 12.032 1.00 0.00 C ATOM 563 CG LEU A 720 57.680 -1.609 12.607 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.807 -2.665 11.919 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.722 -1.883 14.116 1.00 0.00 C ATOM 0 H LEU A 720 60.423 -0.458 10.345 1.00 0.00 H new ATOM 0 HA LEU A 720 59.155 0.364 12.739 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.061 -1.816 10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.632 -2.533 12.446 1.00 0.00 H new ATOM 0 HG LEU A 720 57.262 -0.618 12.432 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.796 -2.622 12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.777 -2.470 10.847 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.227 -3.655 12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.712 -1.836 14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.139 -2.874 14.294 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.345 -1.134 14.605 1.00 0.00 H new ATOM 577 N VAL A 721 62.100 -1.026 12.997 1.00 0.00 N ATOM 578 CA VAL A 721 63.201 -1.287 13.918 1.00 0.00 C ATOM 579 C VAL A 721 63.530 -0.036 14.729 1.00 0.00 C ATOM 580 O VAL A 721 63.838 -0.128 15.918 1.00 0.00 O ATOM 581 CB VAL A 721 64.438 -1.735 13.134 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.606 -1.940 14.103 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.135 -3.050 12.407 1.00 0.00 C ATOM 0 H VAL A 721 62.335 -1.144 12.011 1.00 0.00 H new ATOM 0 HA VAL A 721 62.900 -2.078 14.604 1.00 0.00 H new ATOM 0 HB VAL A 721 64.703 -0.972 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.488 -2.259 13.548 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.820 -1.003 14.618 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.342 -2.704 14.835 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.016 -3.369 11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.870 -3.816 13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.303 -2.902 11.718 1.00 0.00 H new ATOM 593 N MET A 722 63.274 1.128 14.138 1.00 0.00 N ATOM 594 CA MET A 722 63.618 2.390 14.780 1.00 0.00 C ATOM 595 C MET A 722 62.557 2.778 15.804 1.00 0.00 C ATOM 596 O MET A 722 62.859 3.440 16.799 1.00 0.00 O ATOM 597 CB MET A 722 63.751 3.498 13.726 1.00 0.00 C ATOM 598 CG MET A 722 64.086 4.827 14.413 1.00 0.00 C ATOM 599 SD MET A 722 62.557 5.743 14.724 1.00 0.00 S ATOM 600 CE MET A 722 63.121 6.643 16.189 1.00 0.00 C ATOM 0 H MET A 722 62.833 1.222 13.223 1.00 0.00 H new ATOM 0 HA MET A 722 64.571 2.266 15.294 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.532 3.241 13.010 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.822 3.592 13.164 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.610 4.643 15.351 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.755 5.416 13.785 1.00 0.00 H new ATOM 0 HE1 MET A 722 62.466 7.496 16.366 1.00 0.00 H new ATOM 0 HE2 MET A 722 63.096 5.981 17.055 1.00 0.00 H new ATOM 0 HE3 MET A 722 64.140 6.994 16.030 1.00 0.00 H new ATOM 610 N LEU A 723 61.342 2.273 15.613 1.00 0.00 N ATOM 611 CA LEU A 723 60.248 2.568 16.535 1.00 0.00 C ATOM 612 C LEU A 723 60.579 2.072 17.941 1.00 0.00 C ATOM 613 O LEU A 723 60.031 2.571 18.925 1.00 0.00 O ATOM 614 CB LEU A 723 58.954 1.902 16.048 1.00 0.00 C ATOM 615 CG LEU A 723 58.514 2.524 14.718 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.380 1.679 14.114 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.025 3.962 14.952 1.00 0.00 C ATOM 0 H LEU A 723 61.090 1.663 14.835 1.00 0.00 H new ATOM 0 HA LEU A 723 60.110 3.649 16.566 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.111 0.831 15.924 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.169 2.025 16.794 1.00 0.00 H new ATOM 0 HG LEU A 723 59.358 2.546 14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.064 2.118 13.168 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.735 0.663 13.942 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.536 1.657 14.804 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.714 4.399 14.003 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.181 3.952 15.641 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.833 4.557 15.377 1.00 0.00 H new