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 13:sc= 0.395 USER MOD Single : A 719 THR OG1 : rot 60:sc= 0.451 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.845 -4.291 -5.467 1.00 0.00 N ATOM 279 CA ALA A 701 45.217 -4.027 -5.887 1.00 0.00 C ATOM 280 C ALA A 701 46.214 -4.668 -4.926 1.00 0.00 C ATOM 281 O ALA A 701 47.319 -5.032 -5.325 1.00 0.00 O ATOM 282 CB ALA A 701 45.462 -2.517 -5.945 1.00 0.00 C ATOM 0 HA ALA A 701 45.360 -4.461 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.488 -2.327 -6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.774 -2.064 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.298 -2.084 -4.958 1.00 0.00 H new ATOM 288 N ILE A 702 45.765 -4.931 -3.699 1.00 0.00 N ATOM 289 CA ILE A 702 46.644 -5.481 -2.670 1.00 0.00 C ATOM 290 C ILE A 702 47.230 -6.815 -3.125 1.00 0.00 C ATOM 291 O ILE A 702 48.398 -7.101 -2.868 1.00 0.00 O ATOM 292 CB ILE A 702 45.875 -5.676 -1.356 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.750 -6.704 -1.559 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.283 -4.335 -0.902 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.013 -6.939 -0.235 1.00 0.00 C ATOM 0 H ILE A 702 44.804 -4.773 -3.396 1.00 0.00 H new ATOM 0 HA ILE A 702 47.457 -4.774 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 702 46.557 -6.044 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.051 -6.347 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.165 -7.643 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.737 -4.475 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.087 -3.616 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.603 -3.960 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.217 -7.668 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 702 44.714 -7.316 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.583 -6.000 0.114 1.00 0.00 H new ATOM 307 N ILE A 703 46.486 -7.516 -3.978 1.00 0.00 N ATOM 308 CA ILE A 703 46.943 -8.795 -4.513 1.00 0.00 C ATOM 309 C ILE A 703 48.137 -8.588 -5.442 1.00 0.00 C ATOM 310 O ILE A 703 49.203 -9.168 -5.228 1.00 0.00 O ATOM 311 CB ILE A 703 45.803 -9.476 -5.281 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.616 -9.713 -4.337 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.292 -10.817 -5.840 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.359 -10.035 -5.151 1.00 0.00 C ATOM 0 H ILE A 703 45.568 -7.221 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 703 47.250 -9.430 -3.682 1.00 0.00 H new ATOM 0 HB ILE A 703 45.487 -8.835 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.840 -10.535 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.446 -8.828 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.482 -11.301 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.132 -10.646 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.611 -11.459 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.521 -10.202 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.130 -9.200 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.530 -10.933 -5.745 1.00 0.00 H new ATOM 326 N GLY A 704 48.012 -7.614 -6.340 1.00 0.00 N ATOM 327 CA GLY A 704 49.093 -7.295 -7.267 1.00 0.00 C ATOM 328 C GLY A 704 50.239 -6.591 -6.546 1.00 0.00 C ATOM 329 O GLY A 704 51.407 -6.896 -6.780 1.00 0.00 O ATOM 0 H GLY A 704 47.178 -7.036 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.459 -8.210 -7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.715 -6.658 -8.067 1.00 0.00 H new ATOM 333 N LEU A 705 49.890 -5.788 -5.545 1.00 0.00 N ATOM 334 CA LEU A 705 50.888 -5.036 -4.792 1.00 0.00 C ATOM 335 C LEU A 705 51.603 -5.932 -3.786 1.00 0.00 C ATOM 336 O LEU A 705 52.627 -5.544 -3.227 1.00 0.00 O ATOM 337 CB LEU A 705 50.214 -3.879 -4.055 1.00 0.00 C ATOM 338 CG LEU A 705 49.700 -2.858 -5.074 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.837 -1.818 -4.360 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.890 -2.165 -5.743 1.00 0.00 C ATOM 0 H LEU A 705 48.928 -5.642 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 705 51.625 -4.647 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.388 -4.251 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.921 -3.405 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 705 49.103 -3.366 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 705 48.470 -1.090 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.991 -2.313 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.433 -1.308 -3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 705 50.526 -1.438 -6.469 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.487 -1.655 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.505 -2.908 -6.251 1.00 0.00 H new ATOM 352 N MET A 706 50.961 -7.043 -3.433 1.00 0.00 N ATOM 353 CA MET A 706 51.493 -7.929 -2.401 1.00 0.00 C ATOM 354 C MET A 706 52.768 -8.610 -2.888 1.00 0.00 C ATOM 355 O MET A 706 53.790 -8.589 -2.201 1.00 0.00 O ATOM 356 CB MET A 706 50.445 -8.986 -2.032 1.00 0.00 C ATOM 357 CG MET A 706 51.087 -10.090 -1.182 1.00 0.00 C ATOM 358 SD MET A 706 51.576 -11.469 -2.251 1.00 0.00 S ATOM 359 CE MET A 706 52.692 -12.282 -1.081 1.00 0.00 C ATOM 0 H MET A 706 50.079 -7.350 -3.843 1.00 0.00 H new ATOM 0 HA MET A 706 51.731 -7.335 -1.519 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.627 -8.522 -1.481 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.016 -9.416 -2.937 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.957 -9.698 -0.655 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.384 -10.435 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.115 -13.175 -1.542 1.00 0.00 H new ATOM 0 HE2 MET A 706 53.496 -11.598 -0.810 1.00 0.00 H new ATOM 0 HE3 MET A 706 52.138 -12.564 -0.186 1.00 0.00 H new ATOM 369 N VAL A 707 52.747 -9.068 -4.138 1.00 0.00 N ATOM 370 CA VAL A 707 53.887 -9.791 -4.693 1.00 0.00 C ATOM 371 C VAL A 707 55.069 -8.844 -4.897 1.00 0.00 C ATOM 372 O VAL A 707 56.213 -9.206 -4.617 1.00 0.00 O ATOM 373 CB VAL A 707 53.507 -10.450 -6.029 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.086 -11.022 -5.940 1.00 0.00 C ATOM 375 CG2 VAL A 707 53.568 -9.418 -7.161 1.00 0.00 C ATOM 0 H VAL A 707 51.962 -8.953 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 707 54.176 -10.570 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 707 54.212 -11.255 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.821 -11.488 -6.889 1.00 0.00 H new ATOM 0 HG12 VAL A 707 52.043 -11.767 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 707 51.383 -10.218 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.297 -9.895 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.871 -8.607 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.579 -9.018 -7.234 1.00 0.00 H new ATOM 385 N GLY A 708 54.754 -7.574 -5.144 1.00 0.00 N ATOM 386 CA GLY A 708 55.782 -6.548 -5.284 1.00 0.00 C ATOM 387 C GLY A 708 55.904 -5.721 -4.007 1.00 0.00 C ATOM 388 O GLY A 708 56.725 -4.806 -3.931 1.00 0.00 O ATOM 0 H GLY A 708 53.799 -7.233 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.740 -7.016 -5.512 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.538 -5.896 -6.123 1.00 0.00 H new ATOM 392 N GLY A 709 55.225 -6.172 -2.953 1.00 0.00 N ATOM 393 CA GLY A 709 55.289 -5.495 -1.661 1.00 0.00 C ATOM 394 C GLY A 709 56.543 -5.901 -0.895 1.00 0.00 C ATOM 395 O GLY A 709 56.630 -5.705 0.318 1.00 0.00 O ATOM 0 H GLY A 709 54.628 -6.999 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.283 -4.415 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.404 -5.740 -1.074 1.00 0.00 H new ATOM 399 N VAL A 710 57.464 -6.563 -1.591 1.00 0.00 N ATOM 400 CA VAL A 710 58.707 -7.015 -0.975 1.00 0.00 C ATOM 401 C VAL A 710 59.670 -5.845 -0.779 1.00 0.00 C ATOM 402 O VAL A 710 60.390 -5.784 0.218 1.00 0.00 O ATOM 403 CB VAL A 710 59.366 -8.087 -1.853 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.419 -9.285 -1.999 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.676 -7.505 -3.239 1.00 0.00 C ATOM 0 H VAL A 710 57.373 -6.798 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 710 58.473 -7.440 0.001 1.00 0.00 H new ATOM 0 HB VAL A 710 60.295 -8.413 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.888 -10.046 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.207 -9.703 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.488 -8.959 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.144 -8.270 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.751 -7.173 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.354 -6.658 -3.135 1.00 0.00 H new ATOM 415 N VAL A 711 59.579 -4.858 -1.669 1.00 0.00 N ATOM 416 CA VAL A 711 60.460 -3.696 -1.604 1.00 0.00 C ATOM 417 C VAL A 711 60.009 -2.745 -0.501 1.00 0.00 C ATOM 418 O VAL A 711 60.829 -2.231 0.261 1.00 0.00 O ATOM 419 CB VAL A 711 60.456 -2.962 -2.950 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.379 -1.740 -2.874 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.949 -3.906 -4.051 1.00 0.00 C ATOM 0 H VAL A 711 58.909 -4.840 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 711 61.470 -4.039 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 711 59.441 -2.636 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.374 -1.220 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.026 -1.066 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.394 -2.064 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.946 -3.383 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.962 -4.235 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.290 -4.773 -4.109 1.00 0.00 H new ATOM 431 N ILE A 712 58.708 -2.471 -0.459 1.00 0.00 N ATOM 432 CA ILE A 712 58.156 -1.569 0.546 1.00 0.00 C ATOM 433 C ILE A 712 58.266 -2.185 1.939 1.00 0.00 C ATOM 434 O ILE A 712 58.493 -1.476 2.919 1.00 0.00 O ATOM 435 CB ILE A 712 56.687 -1.262 0.227 1.00 0.00 C ATOM 436 CG1 ILE A 712 55.856 -2.548 0.326 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.584 -0.692 -1.193 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.398 -2.255 -0.044 1.00 0.00 C ATOM 0 H ILE A 712 58.020 -2.858 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 712 58.728 -0.642 0.529 1.00 0.00 H new ATOM 0 HB ILE A 712 56.306 -0.533 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.264 -3.308 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.910 -2.950 1.338 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.541 -0.473 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.171 0.224 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.967 -1.422 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.813 -3.172 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 712 53.992 -1.510 0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.351 -1.874 -1.064 1.00 0.00 H new ATOM 450 N ALA A 713 58.303 -3.516 1.984 1.00 0.00 N ATOM 451 CA ALA A 713 58.420 -4.226 3.253 1.00 0.00 C ATOM 452 C ALA A 713 59.736 -3.880 3.942 1.00 0.00 C ATOM 453 O ALA A 713 59.733 -3.249 4.998 1.00 0.00 O ATOM 454 CB ALA A 713 58.346 -5.737 3.016 1.00 0.00 C ATOM 0 H ALA A 713 58.254 -4.119 1.163 1.00 0.00 H new ATOM 0 HA ALA A 713 57.595 -3.919 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.434 -6.259 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.392 -5.986 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.160 -6.042 2.358 1.00 0.00 H new ATOM 460 N THR A 714 60.832 -4.035 3.203 1.00 0.00 N ATOM 461 CA THR A 714 62.162 -3.788 3.754 1.00 0.00 C ATOM 462 C THR A 714 62.306 -2.329 4.181 1.00 0.00 C ATOM 463 O THR A 714 62.855 -2.042 5.245 1.00 0.00 O ATOM 464 CB THR A 714 63.232 -4.125 2.709 1.00 0.00 C ATOM 465 OG1 THR A 714 62.823 -3.640 1.438 1.00 0.00 O ATOM 466 CG2 THR A 714 63.420 -5.642 2.639 1.00 0.00 C ATOM 0 H THR A 714 60.826 -4.329 2.226 1.00 0.00 H new ATOM 0 HA THR A 714 62.295 -4.424 4.629 1.00 0.00 H new ATOM 0 HB THR A 714 64.174 -3.655 2.992 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.068 -3.025 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.181 -5.880 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.735 -6.015 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.478 -6.113 2.358 1.00 0.00 H new ATOM 474 N VAL A 715 61.620 -1.444 3.461 1.00 0.00 N ATOM 475 CA VAL A 715 61.613 -0.026 3.808 1.00 0.00 C ATOM 476 C VAL A 715 60.887 0.195 5.132 1.00 0.00 C ATOM 477 O VAL A 715 61.473 0.713 6.084 1.00 0.00 O ATOM 478 CB VAL A 715 60.925 0.777 2.696 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.905 2.264 3.067 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.689 0.592 1.380 1.00 0.00 C ATOM 0 H VAL A 715 61.065 -1.682 2.639 1.00 0.00 H new ATOM 0 HA VAL A 715 62.643 0.314 3.914 1.00 0.00 H new ATOM 0 HB VAL A 715 59.902 0.420 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.416 2.830 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.358 2.399 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.927 2.622 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.199 1.163 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.713 0.945 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.699 -0.464 1.111 1.00 0.00 H new ATOM 490 N ILE A 716 59.716 -0.426 5.260 1.00 0.00 N ATOM 491 CA ILE A 716 58.907 -0.285 6.468 1.00 0.00 C ATOM 492 C ILE A 716 59.549 -1.033 7.635 1.00 0.00 C ATOM 493 O ILE A 716 59.532 -0.558 8.771 1.00 0.00 O ATOM 494 CB ILE A 716 57.496 -0.832 6.216 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.807 0.008 5.131 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.678 -0.764 7.510 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.744 -0.837 4.422 1.00 0.00 C ATOM 0 H ILE A 716 59.308 -1.029 4.545 1.00 0.00 H new ATOM 0 HA ILE A 716 58.846 0.773 6.723 1.00 0.00 H new ATOM 0 HB ILE A 716 57.565 -1.868 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.347 0.889 5.577 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.543 0.363 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.676 -1.153 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.165 -1.362 8.280 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.610 0.272 7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.257 -0.238 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.217 -1.705 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.001 -1.170 5.147 1.00 0.00 H new ATOM 509 N VAL A 717 60.205 -2.149 7.326 1.00 0.00 N ATOM 510 CA VAL A 717 60.846 -2.966 8.353 1.00 0.00 C ATOM 511 C VAL A 717 62.041 -2.228 8.951 1.00 0.00 C ATOM 512 O VAL A 717 62.232 -2.222 10.168 1.00 0.00 O ATOM 513 CB VAL A 717 61.310 -4.296 7.745 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.129 -5.081 8.777 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.090 -5.124 7.324 1.00 0.00 C ATOM 0 H VAL A 717 60.306 -2.507 6.376 1.00 0.00 H new ATOM 0 HA VAL A 717 60.123 -3.163 9.145 1.00 0.00 H new ATOM 0 HB VAL A 717 61.930 -4.093 6.872 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.456 -6.025 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.000 -4.496 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.513 -5.281 9.654 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.422 -6.068 6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.467 -5.323 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.512 -4.570 6.584 1.00 0.00 H new ATOM 525 N ILE A 718 62.798 -1.549 8.092 1.00 0.00 N ATOM 526 CA ILE A 718 63.949 -0.771 8.540 1.00 0.00 C ATOM 527 C ILE A 718 63.506 0.355 9.473 1.00 0.00 C ATOM 528 O ILE A 718 64.217 0.702 10.416 1.00 0.00 O ATOM 529 CB ILE A 718 64.684 -0.191 7.320 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.600 -1.265 6.714 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.518 1.030 7.735 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.875 -1.410 7.553 1.00 0.00 C ATOM 0 H ILE A 718 62.635 -1.522 7.085 1.00 0.00 H new ATOM 0 HA ILE A 718 64.625 -1.425 9.091 1.00 0.00 H new ATOM 0 HB ILE A 718 63.950 0.121 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.074 -2.219 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 718 65.859 -0.997 5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.034 1.432 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.862 1.794 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.251 0.732 8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 718 67.515 -2.174 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 718 67.407 -0.459 7.574 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.610 -1.700 8.570 1.00 0.00 H new ATOM 544 N THR A 719 62.315 0.893 9.227 1.00 0.00 N ATOM 545 CA THR A 719 61.764 1.938 10.087 1.00 0.00 C ATOM 546 C THR A 719 61.159 1.335 11.353 1.00 0.00 C ATOM 547 O THR A 719 61.126 1.982 12.400 1.00 0.00 O ATOM 548 CB THR A 719 60.692 2.736 9.333 1.00 0.00 C ATOM 549 OG1 THR A 719 60.273 2.011 8.186 1.00 0.00 O ATOM 550 CG2 THR A 719 61.268 4.087 8.900 1.00 0.00 C ATOM 0 H THR A 719 61.716 0.626 8.446 1.00 0.00 H new ATOM 0 HA THR A 719 62.577 2.606 10.371 1.00 0.00 H new ATOM 0 HB THR A 719 59.837 2.898 9.990 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.902 1.147 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.506 4.653 8.365 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.584 4.647 9.780 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.125 3.924 8.246 1.00 0.00 H new ATOM 558 N LEU A 720 60.776 0.062 11.275 1.00 0.00 N ATOM 559 CA LEU A 720 60.099 -0.593 12.391 1.00 0.00 C ATOM 560 C LEU A 720 61.053 -0.773 13.571 1.00 0.00 C ATOM 561 O LEU A 720 60.620 -0.856 14.721 1.00 0.00 O ATOM 562 CB LEU A 720 59.566 -1.961 11.954 1.00 0.00 C ATOM 563 CG LEU A 720 58.402 -2.374 12.866 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.078 -1.899 12.256 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.380 -3.898 13.013 1.00 0.00 C ATOM 0 H LEU A 720 60.921 -0.531 10.458 1.00 0.00 H new ATOM 0 HA LEU A 720 59.267 0.039 12.703 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.232 -1.918 10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.361 -2.705 12.002 1.00 0.00 H new ATOM 0 HG LEU A 720 58.533 -1.918 13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.253 -2.193 12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.092 -0.814 12.156 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.947 -2.352 11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 720 57.553 -4.189 13.661 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.252 -4.356 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.320 -4.235 13.451 1.00 0.00 H new ATOM 577 N VAL A 721 62.351 -0.817 13.278 1.00 0.00 N ATOM 578 CA VAL A 721 63.359 -0.981 14.322 1.00 0.00 C ATOM 579 C VAL A 721 63.346 0.217 15.271 1.00 0.00 C ATOM 580 O VAL A 721 63.525 0.057 16.479 1.00 0.00 O ATOM 581 CB VAL A 721 64.753 -1.134 13.695 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.689 -2.135 12.536 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.243 0.222 13.173 1.00 0.00 C ATOM 0 H VAL A 721 62.727 -0.742 12.333 1.00 0.00 H new ATOM 0 HA VAL A 721 63.123 -1.881 14.889 1.00 0.00 H new ATOM 0 HB VAL A 721 65.446 -1.498 14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.679 -2.242 12.093 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.352 -3.102 12.909 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.991 -1.774 11.781 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.232 0.105 12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.549 0.594 12.419 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.297 0.932 13.998 1.00 0.00 H new ATOM 593 N MET A 722 62.899 1.358 14.751 1.00 0.00 N ATOM 594 CA MET A 722 62.810 2.574 15.553 1.00 0.00 C ATOM 595 C MET A 722 61.707 2.443 16.600 1.00 0.00 C ATOM 596 O MET A 722 61.914 2.768 17.770 1.00 0.00 O ATOM 597 CB MET A 722 62.520 3.773 14.642 1.00 0.00 C ATOM 598 CG MET A 722 62.556 5.069 15.460 1.00 0.00 C ATOM 599 SD MET A 722 60.868 5.685 15.686 1.00 0.00 S ATOM 600 CE MET A 722 60.871 6.883 14.327 1.00 0.00 C ATOM 0 H MET A 722 62.595 1.465 13.783 1.00 0.00 H new ATOM 0 HA MET A 722 63.760 2.727 16.064 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.257 3.818 13.840 1.00 0.00 H new ATOM 0 HB3 MET A 722 61.544 3.656 14.172 1.00 0.00 H new ATOM 0 HG2 MET A 722 63.021 4.888 16.429 1.00 0.00 H new ATOM 0 HG3 MET A 722 63.163 5.817 14.950 1.00 0.00 H new ATOM 0 HE1 MET A 722 59.906 7.387 14.284 1.00 0.00 H new ATOM 0 HE2 MET A 722 61.658 7.619 14.493 1.00 0.00 H new ATOM 0 HE3 MET A 722 61.052 6.365 13.385 1.00 0.00 H new ATOM 610 N LEU A 723 60.619 1.780 16.218 1.00 0.00 N ATOM 611 CA LEU A 723 59.523 1.526 17.147 1.00 0.00 C ATOM 612 C LEU A 723 59.898 0.439 18.145 1.00 0.00 C ATOM 613 O LEU A 723 59.770 0.631 19.354 1.00 0.00 O ATOM 614 CB LEU A 723 58.273 1.106 16.372 1.00 0.00 C ATOM 615 CG LEU A 723 57.839 2.251 15.454 1.00 0.00 C ATOM 616 CD1 LEU A 723 56.686 1.783 14.567 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.383 3.440 16.304 1.00 0.00 C ATOM 0 H LEU A 723 60.473 1.411 15.278 1.00 0.00 H new ATOM 0 HA LEU A 723 59.320 2.445 17.697 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.479 0.211 15.784 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.469 0.855 17.064 1.00 0.00 H new ATOM 0 HG LEU A 723 58.678 2.554 14.827 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.376 2.598 13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.012 0.937 13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 723 55.846 1.480 15.192 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.074 4.256 15.651 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.544 3.139 16.931 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.207 3.773 16.936 1.00 0.00 H new