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 -179:sc= 0 (180deg=-0.00188) USER MOD Single : A 714 THR OG1 : rot 41:sc= 0.901 USER MOD Single : A 719 THR OG1 : rot 74:sc= 0.954 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.070 -5.586 -6.584 1.00 0.00 N ATOM 279 CA ALA A 701 44.340 -5.177 -7.176 1.00 0.00 C ATOM 280 C ALA A 701 45.401 -4.988 -6.096 1.00 0.00 C ATOM 281 O ALA A 701 46.562 -5.348 -6.291 1.00 0.00 O ATOM 282 CB ALA A 701 44.158 -3.868 -7.948 1.00 0.00 C ATOM 0 HA ALA A 701 44.669 -5.960 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.110 -3.569 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.423 -4.012 -8.740 1.00 0.00 H new ATOM 0 HB3 ALA A 701 43.812 -3.090 -7.268 1.00 0.00 H new ATOM 288 N ILE A 702 44.958 -4.588 -4.906 1.00 0.00 N ATOM 289 CA ILE A 702 45.866 -4.407 -3.776 1.00 0.00 C ATOM 290 C ILE A 702 46.598 -5.709 -3.465 1.00 0.00 C ATOM 291 O ILE A 702 47.808 -5.706 -3.231 1.00 0.00 O ATOM 292 CB ILE A 702 45.076 -3.952 -2.543 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.407 -2.599 -2.827 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.018 -3.825 -1.339 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.444 -1.471 -2.762 1.00 0.00 C ATOM 0 H ILE A 702 43.980 -4.384 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 702 46.601 -3.646 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 702 44.307 -4.691 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.939 -2.616 -3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.615 -2.417 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.451 -3.501 -0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.479 -4.791 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.794 -3.092 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.957 -0.517 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.892 -1.445 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.221 -1.648 -3.506 1.00 0.00 H new ATOM 307 N ILE A 703 45.906 -6.826 -3.674 1.00 0.00 N ATOM 308 CA ILE A 703 46.477 -8.138 -3.380 1.00 0.00 C ATOM 309 C ILE A 703 47.641 -8.433 -4.320 1.00 0.00 C ATOM 310 O ILE A 703 48.710 -8.853 -3.878 1.00 0.00 O ATOM 311 CB ILE A 703 45.405 -9.225 -3.531 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.095 -8.768 -2.872 1.00 0.00 C ATOM 313 CG2 ILE A 703 45.890 -10.519 -2.868 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.352 -8.368 -1.413 1.00 0.00 C ATOM 0 H ILE A 703 44.955 -6.850 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 703 46.843 -8.134 -2.353 1.00 0.00 H new ATOM 0 HB ILE A 703 45.226 -9.404 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 703 43.678 -7.924 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 703 43.359 -9.570 -2.913 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.128 -11.291 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.812 -10.850 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.076 -10.338 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.417 -8.045 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.749 -9.223 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.073 -7.551 -1.381 1.00 0.00 H new ATOM 326 N GLY A 704 47.501 -7.991 -5.568 1.00 0.00 N ATOM 327 CA GLY A 704 48.529 -8.225 -6.573 1.00 0.00 C ATOM 328 C GLY A 704 49.685 -7.240 -6.410 1.00 0.00 C ATOM 329 O GLY A 704 50.850 -7.623 -6.512 1.00 0.00 O ATOM 0 H GLY A 704 46.690 -7.472 -5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 704 48.901 -9.246 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.099 -8.125 -7.569 1.00 0.00 H new ATOM 333 N LEU A 705 49.360 -6.033 -5.947 1.00 0.00 N ATOM 334 CA LEU A 705 50.378 -5.017 -5.691 1.00 0.00 C ATOM 335 C LEU A 705 51.219 -5.383 -4.473 1.00 0.00 C ATOM 336 O LEU A 705 52.396 -5.026 -4.400 1.00 0.00 O ATOM 337 CB LEU A 705 49.711 -3.655 -5.464 1.00 0.00 C ATOM 338 CG LEU A 705 48.987 -3.215 -6.739 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.067 -2.032 -6.422 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.011 -2.799 -7.796 1.00 0.00 C ATOM 0 H LEU A 705 48.405 -5.737 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 705 51.032 -4.964 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.004 -3.719 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.461 -2.914 -5.186 1.00 0.00 H new ATOM 0 HG LEU A 705 48.393 -4.045 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.551 -1.719 -7.330 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.334 -2.332 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.660 -1.203 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.492 -2.486 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.610 -1.971 -7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.662 -3.643 -8.024 1.00 0.00 H new ATOM 352 N MET A 706 50.671 -6.244 -3.618 1.00 0.00 N ATOM 353 CA MET A 706 51.377 -6.662 -2.409 1.00 0.00 C ATOM 354 C MET A 706 52.621 -7.473 -2.761 1.00 0.00 C ATOM 355 O MET A 706 53.615 -7.450 -2.032 1.00 0.00 O ATOM 356 CB MET A 706 50.454 -7.505 -1.525 1.00 0.00 C ATOM 357 CG MET A 706 50.999 -7.524 -0.091 1.00 0.00 C ATOM 358 SD MET A 706 50.873 -9.199 0.582 1.00 0.00 S ATOM 359 CE MET A 706 49.091 -9.187 0.901 1.00 0.00 C ATOM 0 H MET A 706 49.749 -6.663 -3.738 1.00 0.00 H new ATOM 0 HA MET A 706 51.682 -5.766 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.445 -7.093 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.388 -8.521 -1.914 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.038 -7.194 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.438 -6.827 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.794 -10.138 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.850 -8.376 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.555 -9.040 -0.036 1.00 0.00 H new ATOM 369 N VAL A 707 52.594 -8.109 -3.929 1.00 0.00 N ATOM 370 CA VAL A 707 53.747 -8.869 -4.402 1.00 0.00 C ATOM 371 C VAL A 707 54.943 -7.944 -4.618 1.00 0.00 C ATOM 372 O VAL A 707 56.034 -8.203 -4.108 1.00 0.00 O ATOM 373 CB VAL A 707 53.402 -9.577 -5.717 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.618 -10.370 -6.207 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.226 -10.534 -5.494 1.00 0.00 C ATOM 0 H VAL A 707 51.793 -8.114 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 707 54.006 -9.612 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 707 53.127 -8.833 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.372 -10.873 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.454 -9.690 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.895 -11.112 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.983 -11.036 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.498 -11.277 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.359 -9.971 -5.148 1.00 0.00 H new ATOM 385 N GLY A 708 54.676 -6.776 -5.198 1.00 0.00 N ATOM 386 CA GLY A 708 55.727 -5.797 -5.455 1.00 0.00 C ATOM 387 C GLY A 708 56.090 -5.035 -4.184 1.00 0.00 C ATOM 388 O GLY A 708 57.064 -4.280 -4.163 1.00 0.00 O ATOM 0 H GLY A 708 53.745 -6.486 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.611 -6.302 -5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.396 -5.096 -6.221 1.00 0.00 H new ATOM 392 N GLY A 709 55.403 -5.356 -3.089 1.00 0.00 N ATOM 393 CA GLY A 709 55.587 -4.628 -1.838 1.00 0.00 C ATOM 394 C GLY A 709 56.807 -5.142 -1.078 1.00 0.00 C ATOM 395 O GLY A 709 57.048 -4.743 0.061 1.00 0.00 O ATOM 0 H GLY A 709 54.718 -6.111 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.706 -3.565 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.697 -4.734 -1.218 1.00 0.00 H new ATOM 399 N VAL A 710 57.618 -5.958 -1.749 1.00 0.00 N ATOM 400 CA VAL A 710 58.754 -6.605 -1.097 1.00 0.00 C ATOM 401 C VAL A 710 59.844 -5.582 -0.775 1.00 0.00 C ATOM 402 O VAL A 710 60.403 -5.586 0.323 1.00 0.00 O ATOM 403 CB VAL A 710 59.322 -7.704 -2.007 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.731 -7.104 -3.357 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.546 -8.346 -1.343 1.00 0.00 C ATOM 0 H VAL A 710 57.511 -6.186 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 710 58.410 -7.051 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 710 58.556 -8.463 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.133 -7.889 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.860 -6.656 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.492 -6.339 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.945 -9.125 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 710 61.310 -7.586 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.254 -8.784 -0.388 1.00 0.00 H new ATOM 415 N VAL A 711 60.031 -4.625 -1.678 1.00 0.00 N ATOM 416 CA VAL A 711 61.027 -3.576 -1.477 1.00 0.00 C ATOM 417 C VAL A 711 60.521 -2.547 -0.468 1.00 0.00 C ATOM 418 O VAL A 711 61.232 -2.204 0.478 1.00 0.00 O ATOM 419 CB VAL A 711 61.353 -2.896 -2.818 1.00 0.00 C ATOM 420 CG1 VAL A 711 60.076 -2.753 -3.656 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.961 -1.509 -2.571 1.00 0.00 C ATOM 0 H VAL A 711 59.510 -4.553 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 711 61.937 -4.027 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 711 62.072 -3.512 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.315 -2.271 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.654 -3.740 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.351 -2.147 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.188 -1.036 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.250 -0.893 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.877 -1.612 -1.990 1.00 0.00 H new ATOM 431 N ILE A 712 59.226 -2.252 -0.535 1.00 0.00 N ATOM 432 CA ILE A 712 58.619 -1.296 0.388 1.00 0.00 C ATOM 433 C ILE A 712 58.466 -1.918 1.774 1.00 0.00 C ATOM 434 O ILE A 712 58.629 -1.236 2.787 1.00 0.00 O ATOM 435 CB ILE A 712 57.248 -0.856 -0.149 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.438 0.232 -1.217 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.383 -0.311 0.995 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.815 1.564 -0.553 1.00 0.00 C ATOM 0 H ILE A 712 58.580 -2.657 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 712 59.268 -0.424 0.471 1.00 0.00 H new ATOM 0 HB ILE A 712 56.747 -1.717 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 712 58.218 -0.067 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.520 0.351 -1.793 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.414 -0.002 0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.240 -1.089 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.880 0.546 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 712 57.947 2.328 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 712 57.021 1.868 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 712 58.745 1.443 0.003 1.00 0.00 H new ATOM 450 N ALA A 713 58.321 -3.241 1.809 1.00 0.00 N ATOM 451 CA ALA A 713 58.211 -3.957 3.076 1.00 0.00 C ATOM 452 C ALA A 713 59.482 -3.786 3.900 1.00 0.00 C ATOM 453 O ALA A 713 59.460 -3.130 4.940 1.00 0.00 O ATOM 454 CB ALA A 713 57.964 -5.445 2.814 1.00 0.00 C ATOM 0 H ALA A 713 58.277 -3.834 0.981 1.00 0.00 H new ATOM 0 HA ALA A 713 57.372 -3.543 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.883 -5.973 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.039 -5.567 2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.794 -5.856 2.240 1.00 0.00 H new ATOM 460 N THR A 714 60.615 -4.121 3.286 1.00 0.00 N ATOM 461 CA THR A 714 61.904 -4.038 3.968 1.00 0.00 C ATOM 462 C THR A 714 62.171 -2.615 4.452 1.00 0.00 C ATOM 463 O THR A 714 62.547 -2.409 5.604 1.00 0.00 O ATOM 464 CB THR A 714 63.027 -4.473 3.017 1.00 0.00 C ATOM 465 OG1 THR A 714 62.674 -4.142 1.681 1.00 0.00 O ATOM 466 CG2 THR A 714 63.236 -5.985 3.128 1.00 0.00 C ATOM 0 H THR A 714 60.667 -4.451 2.322 1.00 0.00 H new ATOM 0 HA THR A 714 61.877 -4.702 4.832 1.00 0.00 H new ATOM 0 HB THR A 714 63.949 -3.958 3.288 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.258 -3.255 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.034 -6.293 2.452 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.509 -6.240 4.152 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.314 -6.500 2.859 1.00 0.00 H new ATOM 474 N VAL A 715 61.762 -1.643 3.640 1.00 0.00 N ATOM 475 CA VAL A 715 61.960 -0.236 3.979 1.00 0.00 C ATOM 476 C VAL A 715 61.173 0.123 5.237 1.00 0.00 C ATOM 477 O VAL A 715 61.761 0.464 6.265 1.00 0.00 O ATOM 478 CB VAL A 715 61.497 0.647 2.813 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.674 2.125 3.181 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.326 0.329 1.563 1.00 0.00 C ATOM 0 H VAL A 715 61.294 -1.802 2.748 1.00 0.00 H new ATOM 0 HA VAL A 715 63.020 -0.066 4.166 1.00 0.00 H new ATOM 0 HB VAL A 715 60.445 0.448 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.344 2.749 2.350 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.079 2.354 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.725 2.325 3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.994 0.958 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.379 0.522 1.766 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.194 -0.720 1.296 1.00 0.00 H new ATOM 490 N ILE A 716 59.882 -0.190 5.214 1.00 0.00 N ATOM 491 CA ILE A 716 59.005 0.101 6.342 1.00 0.00 C ATOM 492 C ILE A 716 59.393 -0.744 7.552 1.00 0.00 C ATOM 493 O ILE A 716 59.504 -0.230 8.666 1.00 0.00 O ATOM 494 CB ILE A 716 57.551 -0.188 5.946 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.032 0.949 5.055 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.678 -0.296 7.201 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.710 0.533 4.406 1.00 0.00 C ATOM 0 H ILE A 716 59.420 -0.645 4.427 1.00 0.00 H new ATOM 0 HA ILE A 716 59.108 1.153 6.609 1.00 0.00 H new ATOM 0 HB ILE A 716 57.507 -1.131 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.889 1.852 5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.767 1.186 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.648 -0.501 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.046 -1.106 7.831 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.719 0.642 7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.344 1.342 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.867 -0.358 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.975 0.318 5.182 1.00 0.00 H new ATOM 509 N VAL A 717 59.778 -1.990 7.290 1.00 0.00 N ATOM 510 CA VAL A 717 60.073 -2.934 8.361 1.00 0.00 C ATOM 511 C VAL A 717 61.364 -2.544 9.073 1.00 0.00 C ATOM 512 O VAL A 717 61.428 -2.536 10.302 1.00 0.00 O ATOM 513 CB VAL A 717 60.209 -4.350 7.784 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.749 -5.297 8.861 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.838 -4.847 7.308 1.00 0.00 C ATOM 0 H VAL A 717 59.892 -2.367 6.349 1.00 0.00 H new ATOM 0 HA VAL A 717 59.254 -2.913 9.080 1.00 0.00 H new ATOM 0 HB VAL A 717 60.900 -4.329 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.844 -6.301 8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.726 -4.948 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.061 -5.316 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.937 -5.852 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.145 -4.864 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.456 -4.178 6.537 1.00 0.00 H new ATOM 525 N ILE A 718 62.352 -2.113 8.292 1.00 0.00 N ATOM 526 CA ILE A 718 63.616 -1.652 8.852 1.00 0.00 C ATOM 527 C ILE A 718 63.397 -0.408 9.710 1.00 0.00 C ATOM 528 O ILE A 718 63.991 -0.274 10.780 1.00 0.00 O ATOM 529 CB ILE A 718 64.603 -1.338 7.719 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.139 -2.650 7.132 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.771 -0.505 8.260 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.744 -2.392 5.749 1.00 0.00 C ATOM 0 H ILE A 718 62.300 -2.074 7.274 1.00 0.00 H new ATOM 0 HA ILE A 718 64.029 -2.441 9.481 1.00 0.00 H new ATOM 0 HB ILE A 718 64.089 -0.771 6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.893 -3.074 7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.334 -3.381 7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.467 -0.286 7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.391 0.429 8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.286 -1.065 9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.123 -3.327 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.978 -1.988 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.562 -1.677 5.837 1.00 0.00 H new ATOM 544 N THR A 719 62.425 0.411 9.316 1.00 0.00 N ATOM 545 CA THR A 719 62.073 1.595 10.092 1.00 0.00 C ATOM 546 C THR A 719 61.404 1.194 11.405 1.00 0.00 C ATOM 547 O THR A 719 61.667 1.790 12.449 1.00 0.00 O ATOM 548 CB THR A 719 61.130 2.493 9.286 1.00 0.00 C ATOM 549 OG1 THR A 719 61.607 2.606 7.953 1.00 0.00 O ATOM 550 CG2 THR A 719 61.069 3.885 9.925 1.00 0.00 C ATOM 0 H THR A 719 61.871 0.277 8.470 1.00 0.00 H new ATOM 0 HA THR A 719 62.988 2.144 10.315 1.00 0.00 H new ATOM 0 HB THR A 719 60.132 2.054 9.281 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.436 1.769 7.472 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.397 4.521 9.349 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.700 3.800 10.947 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.066 4.325 9.934 1.00 0.00 H new ATOM 558 N LEU A 720 60.671 0.085 11.372 1.00 0.00 N ATOM 559 CA LEU A 720 59.933 -0.367 12.547 1.00 0.00 C ATOM 560 C LEU A 720 60.891 -0.848 13.632 1.00 0.00 C ATOM 561 O LEU A 720 60.581 -0.785 14.821 1.00 0.00 O ATOM 562 CB LEU A 720 58.979 -1.503 12.165 1.00 0.00 C ATOM 563 CG LEU A 720 57.838 -1.575 13.187 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.664 -0.717 12.706 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.379 -3.028 13.346 1.00 0.00 C ATOM 0 H LEU A 720 60.572 -0.513 10.552 1.00 0.00 H new ATOM 0 HA LEU A 720 59.358 0.474 12.933 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.577 -1.335 11.166 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.517 -2.451 12.137 1.00 0.00 H new ATOM 0 HG LEU A 720 58.191 -1.201 14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.854 -0.769 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.990 0.318 12.599 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.312 -1.088 11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.568 -3.076 14.073 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.028 -3.406 12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.214 -3.637 13.693 1.00 0.00 H new ATOM 577 N VAL A 721 62.047 -1.355 13.207 1.00 0.00 N ATOM 578 CA VAL A 721 63.075 -1.795 14.148 1.00 0.00 C ATOM 579 C VAL A 721 63.596 -0.613 14.960 1.00 0.00 C ATOM 580 O VAL A 721 63.837 -0.733 16.164 1.00 0.00 O ATOM 581 CB VAL A 721 64.233 -2.452 13.387 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.379 -2.756 14.358 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.749 -3.755 12.744 1.00 0.00 C ATOM 0 H VAL A 721 62.294 -1.471 12.224 1.00 0.00 H new ATOM 0 HA VAL A 721 62.634 -2.522 14.830 1.00 0.00 H new ATOM 0 HB VAL A 721 64.587 -1.773 12.611 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.201 -3.223 13.816 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.725 -1.828 14.814 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.027 -3.433 15.136 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.572 -4.222 12.203 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.394 -4.433 13.520 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.936 -3.539 12.051 1.00 0.00 H new ATOM 593 N MET A 722 63.665 0.551 14.319 1.00 0.00 N ATOM 594 CA MET A 722 64.108 1.767 14.995 1.00 0.00 C ATOM 595 C MET A 722 63.121 2.166 16.091 1.00 0.00 C ATOM 596 O MET A 722 63.530 2.563 17.182 1.00 0.00 O ATOM 597 CB MET A 722 64.237 2.906 13.981 1.00 0.00 C ATOM 598 CG MET A 722 64.896 4.118 14.644 1.00 0.00 C ATOM 599 SD MET A 722 66.285 4.679 13.627 1.00 0.00 S ATOM 600 CE MET A 722 66.611 6.221 14.515 1.00 0.00 C ATOM 0 H MET A 722 63.421 0.678 13.337 1.00 0.00 H new ATOM 0 HA MET A 722 65.078 1.573 15.453 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.831 2.580 13.127 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.253 3.179 13.600 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.169 4.922 14.762 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.245 3.855 15.643 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.448 6.740 14.047 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.725 6.855 14.480 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.857 5.998 15.553 1.00 0.00 H new ATOM 610 N LEU A 723 61.828 1.965 15.829 1.00 0.00 N ATOM 611 CA LEU A 723 60.794 2.322 16.802 1.00 0.00 C ATOM 612 C LEU A 723 60.979 1.528 18.091 1.00 0.00 C ATOM 613 O LEU A 723 61.071 2.102 19.177 1.00 0.00 O ATOM 614 CB LEU A 723 59.400 2.042 16.217 1.00 0.00 C ATOM 615 CG LEU A 723 58.313 2.348 17.259 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.303 3.846 17.577 1.00 0.00 C ATOM 617 CD2 LEU A 723 56.944 1.939 16.705 1.00 0.00 C ATOM 0 H LEU A 723 61.475 1.562 14.961 1.00 0.00 H new ATOM 0 HA LEU A 723 60.883 3.385 17.027 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.242 2.652 15.327 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.332 1.000 15.905 1.00 0.00 H new ATOM 0 HG LEU A 723 58.524 1.787 18.170 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.530 4.056 18.316 1.00 0.00 H new ATOM 0 HD12 LEU A 723 59.275 4.140 17.974 1.00 0.00 H new ATOM 0 HD13 LEU A 723 58.097 4.410 16.667 1.00 0.00 H new ATOM 0 HD21 LEU A 723 56.173 2.156 17.444 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.739 2.498 15.792 1.00 0.00 H new ATOM 0 HD23 LEU A 723 56.945 0.872 16.484 1.00 0.00 H new