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 76:sc= 0.312 USER MOD Single : A 719 THR OG1 : rot -3:sc= 0.75 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.424 -5.314 -6.928 1.00 0.00 N ATOM 279 CA ALA A 701 44.718 -4.725 -7.260 1.00 0.00 C ATOM 280 C ALA A 701 45.667 -4.797 -6.066 1.00 0.00 C ATOM 281 O ALA A 701 46.804 -5.242 -6.206 1.00 0.00 O ATOM 282 CB ALA A 701 44.537 -3.267 -7.689 1.00 0.00 C ATOM 0 HA ALA A 701 45.151 -5.292 -8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.508 -2.837 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.889 -3.223 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.085 -2.701 -6.874 1.00 0.00 H new ATOM 288 N ILE A 702 45.117 -4.596 -4.870 1.00 0.00 N ATOM 289 CA ILE A 702 45.923 -4.610 -3.649 1.00 0.00 C ATOM 290 C ILE A 702 46.666 -5.939 -3.509 1.00 0.00 C ATOM 291 O ILE A 702 47.852 -5.957 -3.179 1.00 0.00 O ATOM 292 CB ILE A 702 45.021 -4.388 -2.426 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.364 -3.001 -2.514 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.852 -4.492 -1.140 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.335 -1.920 -2.023 1.00 0.00 C ATOM 0 H ILE A 702 44.123 -4.423 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 702 46.656 -3.806 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 702 44.244 -5.152 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.070 -2.795 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.455 -2.983 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.207 -4.334 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.305 -5.482 -1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.636 -3.735 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.856 -0.943 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.608 -2.119 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.232 -1.928 -2.642 1.00 0.00 H new ATOM 307 N ILE A 703 46.034 -7.009 -3.989 1.00 0.00 N ATOM 308 CA ILE A 703 46.650 -8.333 -3.954 1.00 0.00 C ATOM 309 C ILE A 703 47.819 -8.406 -4.935 1.00 0.00 C ATOM 310 O ILE A 703 48.921 -8.817 -4.571 1.00 0.00 O ATOM 311 CB ILE A 703 45.612 -9.408 -4.310 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.272 -9.095 -3.628 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.113 -10.781 -3.848 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.487 -8.864 -2.127 1.00 0.00 C ATOM 0 H ILE A 703 45.102 -6.985 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 703 47.023 -8.511 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 703 45.468 -9.417 -5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.823 -8.210 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 703 43.576 -9.919 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.375 -11.542 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.056 -11.010 -4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.265 -10.769 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.531 -8.643 -1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.916 -9.760 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.167 -8.025 -1.982 1.00 0.00 H new ATOM 326 N GLY A 704 47.608 -7.859 -6.131 1.00 0.00 N ATOM 327 CA GLY A 704 48.623 -7.911 -7.180 1.00 0.00 C ATOM 328 C GLY A 704 49.709 -6.865 -6.945 1.00 0.00 C ATOM 329 O GLY A 704 50.843 -7.022 -7.398 1.00 0.00 O ATOM 0 H GLY A 704 46.749 -7.378 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.071 -8.904 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.156 -7.744 -8.151 1.00 0.00 H new ATOM 333 N LEU A 705 49.372 -5.836 -6.171 1.00 0.00 N ATOM 334 CA LEU A 705 50.351 -4.827 -5.780 1.00 0.00 C ATOM 335 C LEU A 705 51.248 -5.346 -4.665 1.00 0.00 C ATOM 336 O LEU A 705 52.407 -4.943 -4.556 1.00 0.00 O ATOM 337 CB LEU A 705 49.631 -3.561 -5.308 1.00 0.00 C ATOM 338 CG LEU A 705 48.892 -2.926 -6.489 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.931 -1.850 -5.975 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.911 -2.300 -7.445 1.00 0.00 C ATOM 0 H LEU A 705 48.433 -5.680 -5.804 1.00 0.00 H new ATOM 0 HA LEU A 705 50.970 -4.596 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.927 -3.805 -4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.349 -2.855 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 705 48.321 -3.689 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.406 -1.399 -6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.208 -2.302 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.495 -1.082 -5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.389 -1.847 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.482 -1.536 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.589 -3.072 -7.811 1.00 0.00 H new ATOM 352 N MET A 706 50.738 -6.311 -3.905 1.00 0.00 N ATOM 353 CA MET A 706 51.437 -6.785 -2.716 1.00 0.00 C ATOM 354 C MET A 706 52.745 -7.471 -3.102 1.00 0.00 C ATOM 355 O MET A 706 53.712 -7.444 -2.339 1.00 0.00 O ATOM 356 CB MET A 706 50.551 -7.766 -1.939 1.00 0.00 C ATOM 357 CG MET A 706 50.360 -7.261 -0.506 1.00 0.00 C ATOM 358 SD MET A 706 51.968 -7.182 0.325 1.00 0.00 S ATOM 359 CE MET A 706 51.701 -5.620 1.200 1.00 0.00 C ATOM 0 H MET A 706 49.850 -6.777 -4.090 1.00 0.00 H new ATOM 0 HA MET A 706 51.662 -5.926 -2.085 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.584 -7.867 -2.432 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.008 -8.755 -1.929 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.894 -6.275 -0.515 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.689 -7.925 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 706 52.587 -5.376 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.514 -4.826 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.842 -5.717 1.863 1.00 0.00 H new ATOM 369 N VAL A 707 52.824 -7.919 -4.354 1.00 0.00 N ATOM 370 CA VAL A 707 54.017 -8.610 -4.835 1.00 0.00 C ATOM 371 C VAL A 707 55.193 -7.642 -4.930 1.00 0.00 C ATOM 372 O VAL A 707 56.324 -7.996 -4.593 1.00 0.00 O ATOM 373 CB VAL A 707 53.749 -9.239 -6.212 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.435 -10.027 -6.174 1.00 0.00 C ATOM 375 CG2 VAL A 707 53.654 -8.140 -7.278 1.00 0.00 C ATOM 0 H VAL A 707 52.083 -7.817 -5.047 1.00 0.00 H new ATOM 0 HA VAL A 707 54.266 -9.399 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 707 54.569 -9.912 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.249 -10.471 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.505 -10.815 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.615 -9.356 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.464 -8.593 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.839 -7.461 -7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.591 -7.585 -7.313 1.00 0.00 H new ATOM 385 N GLY A 708 54.885 -6.378 -5.217 1.00 0.00 N ATOM 386 CA GLY A 708 55.911 -5.342 -5.289 1.00 0.00 C ATOM 387 C GLY A 708 56.029 -4.596 -3.963 1.00 0.00 C ATOM 388 O GLY A 708 56.904 -3.744 -3.798 1.00 0.00 O ATOM 0 H GLY A 708 53.938 -6.049 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.870 -5.792 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.668 -4.639 -6.086 1.00 0.00 H new ATOM 392 N GLY A 709 55.213 -4.994 -2.988 1.00 0.00 N ATOM 393 CA GLY A 709 55.244 -4.368 -1.669 1.00 0.00 C ATOM 394 C GLY A 709 56.375 -4.939 -0.816 1.00 0.00 C ATOM 395 O GLY A 709 56.469 -4.648 0.377 1.00 0.00 O ATOM 0 H GLY A 709 54.527 -5.742 -3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.374 -3.291 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.290 -4.525 -1.166 1.00 0.00 H new ATOM 399 N VAL A 710 57.286 -5.665 -1.459 1.00 0.00 N ATOM 400 CA VAL A 710 58.402 -6.288 -0.752 1.00 0.00 C ATOM 401 C VAL A 710 59.414 -5.232 -0.315 1.00 0.00 C ATOM 402 O VAL A 710 59.911 -5.267 0.813 1.00 0.00 O ATOM 403 CB VAL A 710 59.086 -7.313 -1.664 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.302 -7.913 -0.948 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.096 -8.431 -2.014 1.00 0.00 C ATOM 0 H VAL A 710 57.274 -5.836 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 710 58.016 -6.791 0.135 1.00 0.00 H new ATOM 0 HB VAL A 710 59.413 -6.818 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.785 -8.641 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.008 -7.120 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.978 -8.405 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.584 -9.159 -2.662 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.765 -8.924 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.234 -8.006 -2.529 1.00 0.00 H new ATOM 415 N VAL A 711 59.815 -4.383 -1.257 1.00 0.00 N ATOM 416 CA VAL A 711 60.744 -3.296 -0.954 1.00 0.00 C ATOM 417 C VAL A 711 60.163 -2.376 0.115 1.00 0.00 C ATOM 418 O VAL A 711 60.770 -2.187 1.171 1.00 0.00 O ATOM 419 CB VAL A 711 61.050 -2.482 -2.221 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.320 -3.027 -2.882 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.879 -2.578 -3.206 1.00 0.00 C ATOM 0 H VAL A 711 59.514 -4.425 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 711 61.668 -3.736 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 711 61.197 -1.438 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.538 -2.451 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 711 63.156 -2.946 -2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.171 -4.073 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.107 -1.997 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.720 -3.621 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.977 -2.184 -2.738 1.00 0.00 H new ATOM 431 N ILE A 712 58.907 -1.978 -0.077 1.00 0.00 N ATOM 432 CA ILE A 712 58.252 -1.062 0.852 1.00 0.00 C ATOM 433 C ILE A 712 58.121 -1.703 2.230 1.00 0.00 C ATOM 434 O ILE A 712 58.251 -1.029 3.254 1.00 0.00 O ATOM 435 CB ILE A 712 56.861 -0.688 0.327 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.992 -0.026 -1.051 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.191 0.287 1.302 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.623 0.012 -1.737 1.00 0.00 C ATOM 0 H ILE A 712 58.327 -2.273 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 712 58.862 -0.162 0.936 1.00 0.00 H new ATOM 0 HB ILE A 712 56.253 -1.589 0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.384 0.985 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.702 -0.580 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.202 0.553 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.095 -0.185 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.799 1.187 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.719 0.483 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.249 -1.004 -1.859 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.926 0.585 -1.126 1.00 0.00 H new ATOM 450 N ALA A 713 57.852 -3.006 2.247 1.00 0.00 N ATOM 451 CA ALA A 713 57.764 -3.746 3.500 1.00 0.00 C ATOM 452 C ALA A 713 59.071 -3.636 4.281 1.00 0.00 C ATOM 453 O ALA A 713 59.096 -3.043 5.359 1.00 0.00 O ATOM 454 CB ALA A 713 57.453 -5.218 3.218 1.00 0.00 C ATOM 0 H ALA A 713 57.692 -3.568 1.411 1.00 0.00 H new ATOM 0 HA ALA A 713 56.961 -3.316 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.389 -5.763 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.503 -5.294 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.245 -5.646 2.604 1.00 0.00 H new ATOM 460 N THR A 714 60.176 -3.925 3.597 1.00 0.00 N ATOM 461 CA THR A 714 61.493 -3.886 4.230 1.00 0.00 C ATOM 462 C THR A 714 61.794 -2.487 4.760 1.00 0.00 C ATOM 463 O THR A 714 62.255 -2.334 5.891 1.00 0.00 O ATOM 464 CB THR A 714 62.569 -4.296 3.217 1.00 0.00 C ATOM 465 OG1 THR A 714 62.286 -5.600 2.731 1.00 0.00 O ATOM 466 CG2 THR A 714 63.945 -4.288 3.890 1.00 0.00 C ATOM 0 H THR A 714 60.187 -4.187 2.611 1.00 0.00 H new ATOM 0 HA THR A 714 61.495 -4.584 5.067 1.00 0.00 H new ATOM 0 HB THR A 714 62.572 -3.589 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.550 -5.556 2.085 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.706 -4.580 3.166 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.163 -3.287 4.261 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.947 -4.992 4.722 1.00 0.00 H new ATOM 474 N VAL A 715 61.334 -1.477 4.026 1.00 0.00 N ATOM 475 CA VAL A 715 61.572 -0.089 4.411 1.00 0.00 C ATOM 476 C VAL A 715 60.818 0.246 5.695 1.00 0.00 C ATOM 477 O VAL A 715 61.424 0.658 6.684 1.00 0.00 O ATOM 478 CB VAL A 715 61.115 0.846 3.283 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.380 2.303 3.681 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.884 0.517 1.998 1.00 0.00 C ATOM 0 H VAL A 715 60.797 -1.593 3.166 1.00 0.00 H new ATOM 0 HA VAL A 715 62.639 0.047 4.587 1.00 0.00 H new ATOM 0 HB VAL A 715 60.048 0.707 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.055 2.964 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.828 2.538 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.446 2.444 3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.558 1.182 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.952 0.651 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.689 -0.517 1.712 1.00 0.00 H new ATOM 490 N ILE A 716 59.553 -0.164 5.744 1.00 0.00 N ATOM 491 CA ILE A 716 58.711 0.112 6.903 1.00 0.00 C ATOM 492 C ILE A 716 59.097 -0.792 8.073 1.00 0.00 C ATOM 493 O ILE A 716 59.041 -0.376 9.230 1.00 0.00 O ATOM 494 CB ILE A 716 57.236 -0.110 6.541 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.797 0.942 5.515 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.371 0.011 7.802 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.446 0.544 4.916 1.00 0.00 C ATOM 0 H ILE A 716 59.091 -0.685 4.999 1.00 0.00 H new ATOM 0 HA ILE A 716 58.858 1.150 7.200 1.00 0.00 H new ATOM 0 HB ILE A 716 57.115 -1.106 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.721 1.919 5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.544 1.029 4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.324 -0.147 7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.681 -0.739 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.492 1.005 8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.136 1.293 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.537 -0.425 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.701 0.480 5.709 1.00 0.00 H new ATOM 509 N VAL A 717 59.605 -1.981 7.754 1.00 0.00 N ATOM 510 CA VAL A 717 59.978 -2.946 8.785 1.00 0.00 C ATOM 511 C VAL A 717 61.307 -2.555 9.424 1.00 0.00 C ATOM 512 O VAL A 717 61.430 -2.527 10.650 1.00 0.00 O ATOM 513 CB VAL A 717 60.093 -4.349 8.172 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.612 -5.333 9.228 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.718 -4.812 7.677 1.00 0.00 C ATOM 0 H VAL A 717 59.767 -2.297 6.798 1.00 0.00 H new ATOM 0 HA VAL A 717 59.205 -2.950 9.553 1.00 0.00 H new ATOM 0 HB VAL A 717 60.788 -4.316 7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.693 -6.328 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.593 -5.009 9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.920 -5.362 10.070 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.804 -5.808 7.243 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.020 -4.840 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.350 -4.117 6.922 1.00 0.00 H new ATOM 525 N ILE A 718 62.254 -2.133 8.588 1.00 0.00 N ATOM 526 CA ILE A 718 63.544 -1.660 9.079 1.00 0.00 C ATOM 527 C ILE A 718 63.355 -0.473 10.020 1.00 0.00 C ATOM 528 O ILE A 718 63.883 -0.465 11.132 1.00 0.00 O ATOM 529 CB ILE A 718 64.432 -1.251 7.892 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.047 -2.506 7.250 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.548 -0.312 8.369 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.215 -3.020 8.101 1.00 0.00 C ATOM 0 H ILE A 718 62.152 -2.109 7.573 1.00 0.00 H new ATOM 0 HA ILE A 718 64.027 -2.467 9.631 1.00 0.00 H new ATOM 0 HB ILE A 718 63.822 -0.730 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 718 64.288 -3.283 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.395 -2.275 6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.172 -0.028 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.107 0.582 8.811 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.159 -0.822 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.641 -3.909 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 718 66.980 -2.247 8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.855 -3.271 9.099 1.00 0.00 H new ATOM 544 N THR A 719 62.479 0.449 9.630 1.00 0.00 N ATOM 545 CA THR A 719 62.203 1.625 10.450 1.00 0.00 C ATOM 546 C THR A 719 61.483 1.225 11.735 1.00 0.00 C ATOM 547 O THR A 719 61.788 1.744 12.808 1.00 0.00 O ATOM 548 CB THR A 719 61.340 2.624 9.669 1.00 0.00 C ATOM 549 OG1 THR A 719 60.181 1.968 9.179 1.00 0.00 O ATOM 550 CG2 THR A 719 62.142 3.188 8.491 1.00 0.00 C ATOM 0 H THR A 719 61.952 0.406 8.758 1.00 0.00 H new ATOM 0 HA THR A 719 63.153 2.093 10.707 1.00 0.00 H new ATOM 0 HB THR A 719 61.046 3.439 10.330 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.224 1.015 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.526 3.897 7.938 1.00 0.00 H new ATOM 0 HG22 THR A 719 63.031 3.695 8.866 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.439 2.374 7.830 1.00 0.00 H new ATOM 558 N LEU A 720 60.685 0.161 11.648 1.00 0.00 N ATOM 559 CA LEU A 720 59.922 -0.311 12.801 1.00 0.00 C ATOM 560 C LEU A 720 60.856 -0.880 13.866 1.00 0.00 C ATOM 561 O LEU A 720 60.535 -0.869 15.055 1.00 0.00 O ATOM 562 CB LEU A 720 58.928 -1.393 12.361 1.00 0.00 C ATOM 563 CG LEU A 720 57.523 -1.046 12.868 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.921 0.069 12.004 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.632 -2.290 12.793 1.00 0.00 C ATOM 0 H LEU A 720 60.551 -0.386 10.798 1.00 0.00 H new ATOM 0 HA LEU A 720 59.378 0.534 13.224 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.922 -1.474 11.274 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.236 -2.363 12.751 1.00 0.00 H new ATOM 0 HG LEU A 720 57.586 -0.705 13.901 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.923 0.312 12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.554 0.955 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.858 -0.267 10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.633 -2.044 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.571 -2.632 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.057 -3.080 13.412 1.00 0.00 H new ATOM 577 N VAL A 721 61.997 -1.407 13.425 1.00 0.00 N ATOM 578 CA VAL A 721 63.011 -1.901 14.352 1.00 0.00 C ATOM 579 C VAL A 721 63.553 -0.760 15.205 1.00 0.00 C ATOM 580 O VAL A 721 63.665 -0.893 16.423 1.00 0.00 O ATOM 581 CB VAL A 721 64.161 -2.555 13.575 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.204 -3.094 14.561 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.620 -3.708 12.721 1.00 0.00 C ATOM 0 H VAL A 721 62.241 -1.502 12.439 1.00 0.00 H new ATOM 0 HA VAL A 721 62.550 -2.642 15.005 1.00 0.00 H new ATOM 0 HB VAL A 721 64.624 -1.812 12.925 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.021 -3.559 14.009 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.594 -2.273 15.163 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.740 -3.834 15.213 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.440 -4.169 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.153 -4.451 13.367 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.882 -3.324 12.017 1.00 0.00 H new ATOM 593 N MET A 722 63.649 0.421 14.601 1.00 0.00 N ATOM 594 CA MET A 722 64.198 1.583 15.293 1.00 0.00 C ATOM 595 C MET A 722 63.153 2.201 16.218 1.00 0.00 C ATOM 596 O MET A 722 63.499 2.863 17.197 1.00 0.00 O ATOM 597 CB MET A 722 64.664 2.629 14.276 1.00 0.00 C ATOM 598 CG MET A 722 66.175 2.495 14.066 1.00 0.00 C ATOM 599 SD MET A 722 66.675 3.473 12.628 1.00 0.00 S ATOM 600 CE MET A 722 66.412 2.189 11.376 1.00 0.00 C ATOM 0 H MET A 722 63.356 0.598 13.640 1.00 0.00 H new ATOM 0 HA MET A 722 65.048 1.255 15.891 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.140 2.491 13.330 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.422 3.631 14.631 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.708 2.836 14.954 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.441 1.448 13.917 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.664 2.583 10.392 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.046 1.330 11.596 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.367 1.880 11.386 1.00 0.00 H new ATOM 610 N LEU A 723 61.893 1.827 16.004 1.00 0.00 N ATOM 611 CA LEU A 723 60.817 2.242 16.897 1.00 0.00 C ATOM 612 C LEU A 723 60.786 1.363 18.149 1.00 0.00 C ATOM 613 O LEU A 723 59.850 1.447 18.945 1.00 0.00 O ATOM 614 CB LEU A 723 59.470 2.143 16.169 1.00 0.00 C ATOM 615 CG LEU A 723 59.475 3.043 14.929 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.155 2.868 14.172 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.625 4.508 15.348 1.00 0.00 C ATOM 0 H LEU A 723 61.595 1.241 15.224 1.00 0.00 H new ATOM 0 HA LEU A 723 60.996 3.274 17.197 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.280 1.110 15.878 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.663 2.438 16.839 1.00 0.00 H new ATOM 0 HG LEU A 723 60.311 2.765 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.155 3.507 13.289 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.046 1.827 13.867 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.324 3.145 14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.628 5.142 14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.792 4.789 15.992 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.562 4.637 15.889 1.00 0.00 H new