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= 0.096 USER MOD Single : A 719 THR OG1 : rot -170:sc= -0.0271 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.622 -5.312 -7.002 1.00 0.00 N ATOM 279 CA ALA A 701 44.898 -4.603 -7.056 1.00 0.00 C ATOM 280 C ALA A 701 45.695 -4.829 -5.775 1.00 0.00 C ATOM 281 O ALA A 701 46.810 -5.347 -5.822 1.00 0.00 O ATOM 282 CB ALA A 701 44.655 -3.105 -7.250 1.00 0.00 C ATOM 0 HA ALA A 701 45.471 -4.991 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.611 -2.583 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.114 -2.942 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.066 -2.721 -6.417 1.00 0.00 H new ATOM 288 N ILE A 702 45.025 -4.665 -4.638 1.00 0.00 N ATOM 289 CA ILE A 702 45.700 -4.696 -3.344 1.00 0.00 C ATOM 290 C ILE A 702 46.497 -5.989 -3.182 1.00 0.00 C ATOM 291 O ILE A 702 47.641 -5.965 -2.724 1.00 0.00 O ATOM 292 CB ILE A 702 44.661 -4.575 -2.220 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.236 -3.108 -2.073 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.258 -5.070 -0.896 1.00 0.00 C ATOM 295 CD1 ILE A 702 42.907 -3.027 -1.316 1.00 0.00 C ATOM 0 H ILE A 702 44.018 -4.510 -4.586 1.00 0.00 H new ATOM 0 HA ILE A 702 46.394 -3.857 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 702 43.793 -5.185 -2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.004 -2.549 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.134 -2.649 -3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.513 -4.980 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.555 -6.114 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.131 -4.468 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.609 -1.983 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.140 -3.571 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.024 -3.469 -0.327 1.00 0.00 H new ATOM 307 N ILE A 703 45.966 -7.075 -3.742 1.00 0.00 N ATOM 308 CA ILE A 703 46.664 -8.358 -3.720 1.00 0.00 C ATOM 309 C ILE A 703 47.928 -8.297 -4.578 1.00 0.00 C ATOM 310 O ILE A 703 49.025 -8.583 -4.098 1.00 0.00 O ATOM 311 CB ILE A 703 45.736 -9.464 -4.240 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.555 -9.639 -3.277 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.512 -10.783 -4.343 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.423 -10.396 -3.980 1.00 0.00 C ATOM 0 H ILE A 703 45.061 -7.092 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 703 46.951 -8.580 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 703 45.363 -9.186 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.875 -10.185 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.200 -8.665 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.850 -11.566 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.349 -10.660 -5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.889 -11.061 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.586 -10.519 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.096 -9.832 -4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.781 -11.376 -4.294 1.00 0.00 H new ATOM 326 N GLY A 704 47.787 -7.769 -5.793 1.00 0.00 N ATOM 327 CA GLY A 704 48.898 -7.729 -6.739 1.00 0.00 C ATOM 328 C GLY A 704 49.923 -6.672 -6.336 1.00 0.00 C ATOM 329 O GLY A 704 51.123 -6.838 -6.562 1.00 0.00 O ATOM 0 H GLY A 704 46.918 -7.365 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.377 -8.707 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.521 -7.513 -7.739 1.00 0.00 H new ATOM 333 N LEU A 705 49.440 -5.592 -5.728 1.00 0.00 N ATOM 334 CA LEU A 705 50.320 -4.529 -5.252 1.00 0.00 C ATOM 335 C LEU A 705 51.252 -5.045 -4.158 1.00 0.00 C ATOM 336 O LEU A 705 52.415 -4.646 -4.094 1.00 0.00 O ATOM 337 CB LEU A 705 49.483 -3.370 -4.709 1.00 0.00 C ATOM 338 CG LEU A 705 48.770 -2.674 -5.872 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.686 -1.740 -5.326 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.783 -1.862 -6.686 1.00 0.00 C ATOM 0 H LEU A 705 48.448 -5.430 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 705 50.926 -4.183 -6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.753 -3.739 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.121 -2.661 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 705 48.310 -3.426 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.180 -1.246 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.962 -2.319 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.143 -0.990 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.273 -1.368 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.247 -1.112 -6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.551 -2.528 -7.080 1.00 0.00 H new ATOM 352 N MET A 706 50.803 -6.078 -3.448 1.00 0.00 N ATOM 353 CA MET A 706 51.586 -6.646 -2.355 1.00 0.00 C ATOM 354 C MET A 706 52.841 -7.335 -2.886 1.00 0.00 C ATOM 355 O MET A 706 53.891 -7.311 -2.242 1.00 0.00 O ATOM 356 CB MET A 706 50.733 -7.658 -1.585 1.00 0.00 C ATOM 357 CG MET A 706 50.877 -7.415 -0.082 1.00 0.00 C ATOM 358 SD MET A 706 52.605 -7.651 0.408 1.00 0.00 S ATOM 359 CE MET A 706 52.577 -6.566 1.858 1.00 0.00 C ATOM 0 H MET A 706 49.906 -6.536 -3.609 1.00 0.00 H new ATOM 0 HA MET A 706 51.890 -5.837 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.688 -7.566 -1.880 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.045 -8.673 -1.831 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.553 -6.404 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.235 -8.101 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 706 53.561 -6.560 2.327 1.00 0.00 H new ATOM 0 HE2 MET A 706 52.315 -5.554 1.550 1.00 0.00 H new ATOM 0 HE3 MET A 706 51.838 -6.931 2.571 1.00 0.00 H new ATOM 369 N VAL A 707 52.763 -7.816 -4.126 1.00 0.00 N ATOM 370 CA VAL A 707 53.906 -8.467 -4.756 1.00 0.00 C ATOM 371 C VAL A 707 55.064 -7.483 -4.911 1.00 0.00 C ATOM 372 O VAL A 707 56.187 -7.769 -4.494 1.00 0.00 O ATOM 373 CB VAL A 707 53.508 -9.009 -6.133 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.717 -9.694 -6.780 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.368 -10.022 -5.976 1.00 0.00 C ATOM 0 H VAL A 707 51.927 -7.767 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 707 54.226 -9.292 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 707 53.175 -8.186 -6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.435 -10.080 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.526 -8.973 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.050 -10.517 -6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.086 -10.407 -6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.698 -10.846 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.508 -9.534 -5.516 1.00 0.00 H new ATOM 385 N GLY A 708 54.740 -6.267 -5.341 1.00 0.00 N ATOM 386 CA GLY A 708 55.741 -5.210 -5.455 1.00 0.00 C ATOM 387 C GLY A 708 55.985 -4.539 -4.106 1.00 0.00 C ATOM 388 O GLY A 708 56.921 -3.752 -3.960 1.00 0.00 O ATOM 0 H GLY A 708 53.797 -5.990 -5.615 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.675 -5.628 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.409 -4.467 -6.180 1.00 0.00 H new ATOM 392 N GLY A 709 55.231 -4.963 -3.094 1.00 0.00 N ATOM 393 CA GLY A 709 55.361 -4.390 -1.757 1.00 0.00 C ATOM 394 C GLY A 709 56.433 -5.120 -0.952 1.00 0.00 C ATOM 395 O GLY A 709 56.444 -5.058 0.278 1.00 0.00 O ATOM 0 H GLY A 709 54.527 -5.697 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.615 -3.333 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.405 -4.451 -1.236 1.00 0.00 H new ATOM 399 N VAL A 710 57.380 -5.737 -1.656 1.00 0.00 N ATOM 400 CA VAL A 710 58.510 -6.390 -1.001 1.00 0.00 C ATOM 401 C VAL A 710 59.609 -5.374 -0.693 1.00 0.00 C ATOM 402 O VAL A 710 60.224 -5.421 0.372 1.00 0.00 O ATOM 403 CB VAL A 710 59.066 -7.497 -1.905 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.371 -8.044 -1.315 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.040 -8.630 -2.009 1.00 0.00 C ATOM 0 H VAL A 710 57.387 -5.798 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 710 58.165 -6.827 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 710 59.264 -7.088 -2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.761 -8.830 -1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.102 -7.239 -1.241 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.179 -8.452 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.433 -9.418 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.843 -9.035 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.113 -8.244 -2.434 1.00 0.00 H new ATOM 415 N VAL A 711 59.938 -4.550 -1.684 1.00 0.00 N ATOM 416 CA VAL A 711 61.017 -3.578 -1.531 1.00 0.00 C ATOM 417 C VAL A 711 60.683 -2.573 -0.430 1.00 0.00 C ATOM 418 O VAL A 711 61.456 -2.405 0.513 1.00 0.00 O ATOM 419 CB VAL A 711 61.253 -2.841 -2.857 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.965 -2.140 -3.303 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.366 -1.803 -2.675 1.00 0.00 C ATOM 0 H VAL A 711 59.478 -4.535 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 711 61.925 -4.112 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 711 61.548 -3.562 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.141 -1.620 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.177 -2.880 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.660 -1.421 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.533 -1.280 -3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.073 -1.086 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 711 63.285 -2.304 -2.370 1.00 0.00 H new ATOM 431 N ILE A 712 59.442 -2.093 -0.439 1.00 0.00 N ATOM 432 CA ILE A 712 58.997 -1.129 0.561 1.00 0.00 C ATOM 433 C ILE A 712 58.867 -1.797 1.927 1.00 0.00 C ATOM 434 O ILE A 712 59.166 -1.185 2.952 1.00 0.00 O ATOM 435 CB ILE A 712 57.648 -0.527 0.145 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.288 0.630 1.087 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.559 -1.604 0.215 1.00 0.00 C ATOM 438 CD1 ILE A 712 56.015 1.322 0.592 1.00 0.00 C ATOM 0 H ILE A 712 58.732 -2.354 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 712 59.739 -0.334 0.630 1.00 0.00 H new ATOM 0 HB ILE A 712 57.720 -0.153 -0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.139 0.254 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 712 58.109 1.346 1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.602 -1.174 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.813 -2.422 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.487 -1.983 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.763 2.143 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.180 1.712 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.195 0.604 0.572 1.00 0.00 H new ATOM 450 N ALA A 713 58.588 -3.100 1.917 1.00 0.00 N ATOM 451 CA ALA A 713 58.456 -3.855 3.157 1.00 0.00 C ATOM 452 C ALA A 713 59.762 -3.824 3.944 1.00 0.00 C ATOM 453 O ALA A 713 59.799 -3.317 5.063 1.00 0.00 O ATOM 454 CB ALA A 713 58.076 -5.307 2.853 1.00 0.00 C ATOM 0 H ALA A 713 58.450 -3.649 1.069 1.00 0.00 H new ATOM 0 HA ALA A 713 57.671 -3.394 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.980 -5.861 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.127 -5.330 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.850 -5.765 2.237 1.00 0.00 H new ATOM 460 N THR A 714 60.861 -4.121 3.257 1.00 0.00 N ATOM 461 CA THR A 714 62.175 -4.109 3.894 1.00 0.00 C ATOM 462 C THR A 714 62.506 -2.711 4.408 1.00 0.00 C ATOM 463 O THR A 714 63.024 -2.559 5.515 1.00 0.00 O ATOM 464 CB THR A 714 63.253 -4.558 2.899 1.00 0.00 C ATOM 465 OG1 THR A 714 62.641 -5.116 1.746 1.00 0.00 O ATOM 466 CG2 THR A 714 64.152 -5.610 3.556 1.00 0.00 C ATOM 0 H THR A 714 60.870 -4.371 2.268 1.00 0.00 H new ATOM 0 HA THR A 714 62.153 -4.801 4.736 1.00 0.00 H new ATOM 0 HB THR A 714 63.852 -3.695 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.333 -5.400 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.917 -5.928 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.629 -5.182 4.438 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.550 -6.470 3.851 1.00 0.00 H new ATOM 474 N VAL A 715 61.984 -1.701 3.714 1.00 0.00 N ATOM 475 CA VAL A 715 62.313 -0.317 4.026 1.00 0.00 C ATOM 476 C VAL A 715 61.563 0.140 5.276 1.00 0.00 C ATOM 477 O VAL A 715 62.181 0.518 6.272 1.00 0.00 O ATOM 478 CB VAL A 715 61.947 0.584 2.839 1.00 0.00 C ATOM 479 CG1 VAL A 715 62.244 2.047 3.188 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.769 0.175 1.610 1.00 0.00 C ATOM 0 H VAL A 715 61.335 -1.817 2.936 1.00 0.00 H new ATOM 0 HA VAL A 715 63.384 -0.245 4.216 1.00 0.00 H new ATOM 0 HB VAL A 715 60.885 0.474 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.983 2.683 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.656 2.340 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 715 63.305 2.159 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 715 62.508 0.816 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.831 0.281 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.553 -0.863 1.357 1.00 0.00 H new ATOM 490 N ILE A 716 60.257 -0.115 5.293 1.00 0.00 N ATOM 491 CA ILE A 716 59.410 0.331 6.398 1.00 0.00 C ATOM 492 C ILE A 716 59.560 -0.597 7.602 1.00 0.00 C ATOM 493 O ILE A 716 59.325 -0.191 8.742 1.00 0.00 O ATOM 494 CB ILE A 716 57.942 0.372 5.954 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.509 -1.010 5.441 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.779 1.406 4.834 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.704 -1.737 6.522 1.00 0.00 C ATOM 0 H ILE A 716 59.764 -0.625 4.560 1.00 0.00 H new ATOM 0 HA ILE A 716 59.726 1.333 6.689 1.00 0.00 H new ATOM 0 HB ILE A 716 57.318 0.648 6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.907 -0.901 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 716 58.386 -1.598 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.737 1.437 4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 716 58.076 2.389 5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 716 58.408 1.128 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.400 -2.716 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 716 57.320 -1.861 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.819 -1.152 6.771 1.00 0.00 H new ATOM 509 N VAL A 717 59.979 -1.834 7.344 1.00 0.00 N ATOM 510 CA VAL A 717 60.217 -2.795 8.416 1.00 0.00 C ATOM 511 C VAL A 717 61.397 -2.352 9.277 1.00 0.00 C ATOM 512 O VAL A 717 61.318 -2.364 10.505 1.00 0.00 O ATOM 513 CB VAL A 717 60.496 -4.182 7.822 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.176 -5.073 8.868 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.175 -4.827 7.387 1.00 0.00 C ATOM 0 H VAL A 717 60.160 -2.192 6.406 1.00 0.00 H new ATOM 0 HA VAL A 717 59.327 -2.845 9.043 1.00 0.00 H new ATOM 0 HB VAL A 717 61.154 -4.074 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.370 -6.056 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.118 -4.619 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.524 -5.179 9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.373 -5.812 6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.517 -4.927 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.694 -4.200 6.636 1.00 0.00 H new ATOM 525 N ILE A 718 62.474 -1.924 8.621 1.00 0.00 N ATOM 526 CA ILE A 718 63.642 -1.417 9.334 1.00 0.00 C ATOM 527 C ILE A 718 63.260 -0.226 10.209 1.00 0.00 C ATOM 528 O ILE A 718 63.656 -0.152 11.372 1.00 0.00 O ATOM 529 CB ILE A 718 64.726 -1.000 8.332 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.311 -2.251 7.665 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.840 -0.239 9.061 1.00 0.00 C ATOM 532 CD1 ILE A 718 66.037 -1.857 6.376 1.00 0.00 C ATOM 0 H ILE A 718 62.561 -1.918 7.605 1.00 0.00 H new ATOM 0 HA ILE A 718 64.029 -2.210 9.974 1.00 0.00 H new ATOM 0 HB ILE A 718 64.287 -0.353 7.573 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.002 -2.748 8.346 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.515 -2.962 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.608 0.055 8.346 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.424 0.651 9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.281 -0.882 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.451 -2.748 5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 718 65.334 -1.379 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.844 -1.162 6.610 1.00 0.00 H new ATOM 544 N THR A 719 62.344 0.597 9.704 1.00 0.00 N ATOM 545 CA THR A 719 61.821 1.716 10.482 1.00 0.00 C ATOM 546 C THR A 719 61.120 1.210 11.738 1.00 0.00 C ATOM 547 O THR A 719 61.447 1.635 12.847 1.00 0.00 O ATOM 548 CB THR A 719 60.832 2.527 9.635 1.00 0.00 C ATOM 549 OG1 THR A 719 61.226 2.480 8.272 1.00 0.00 O ATOM 550 CG2 THR A 719 60.820 3.982 10.112 1.00 0.00 C ATOM 0 H THR A 719 61.951 0.511 8.767 1.00 0.00 H new ATOM 0 HA THR A 719 62.656 2.353 10.774 1.00 0.00 H new ATOM 0 HB THR A 719 59.833 2.103 9.740 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.694 3.120 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.117 4.557 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.516 4.019 11.158 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.818 4.407 10.009 1.00 0.00 H new ATOM 558 N LEU A 720 60.359 0.130 11.577 1.00 0.00 N ATOM 559 CA LEU A 720 59.546 -0.397 12.667 1.00 0.00 C ATOM 560 C LEU A 720 60.428 -0.996 13.759 1.00 0.00 C ATOM 561 O LEU A 720 60.103 -0.917 14.944 1.00 0.00 O ATOM 562 CB LEU A 720 58.594 -1.472 12.128 1.00 0.00 C ATOM 563 CG LEU A 720 57.181 -1.227 12.668 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.515 -0.098 11.871 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.353 -2.509 12.532 1.00 0.00 C ATOM 0 H LEU A 720 60.289 -0.395 10.705 1.00 0.00 H new ATOM 0 HA LEU A 720 58.970 0.423 13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.586 -1.451 11.038 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.941 -2.461 12.426 1.00 0.00 H new ATOM 0 HG LEU A 720 57.238 -0.942 13.719 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.510 0.075 12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.104 0.814 11.970 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.457 -0.380 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.348 -2.335 12.916 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.296 -2.796 11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.826 -3.309 13.101 1.00 0.00 H new ATOM 577 N VAL A 721 61.578 -1.532 13.354 1.00 0.00 N ATOM 578 CA VAL A 721 62.562 -2.030 14.311 1.00 0.00 C ATOM 579 C VAL A 721 63.121 -0.886 15.155 1.00 0.00 C ATOM 580 O VAL A 721 63.271 -1.024 16.370 1.00 0.00 O ATOM 581 CB VAL A 721 63.704 -2.732 13.564 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.726 -3.269 14.573 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.136 -3.894 12.738 1.00 0.00 C ATOM 0 H VAL A 721 61.850 -1.632 12.376 1.00 0.00 H new ATOM 0 HA VAL A 721 62.071 -2.742 14.975 1.00 0.00 H new ATOM 0 HB VAL A 721 64.194 -2.020 12.900 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.536 -3.767 14.040 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.130 -2.442 15.157 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.239 -3.980 15.240 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.946 -4.393 12.207 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.644 -4.606 13.401 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.413 -3.510 12.018 1.00 0.00 H new ATOM 593 N MET A 722 63.197 0.297 14.550 1.00 0.00 N ATOM 594 CA MET A 722 63.826 1.442 15.201 1.00 0.00 C ATOM 595 C MET A 722 62.866 2.094 16.192 1.00 0.00 C ATOM 596 O MET A 722 63.290 2.794 17.113 1.00 0.00 O ATOM 597 CB MET A 722 64.252 2.468 14.149 1.00 0.00 C ATOM 598 CG MET A 722 65.355 3.361 14.722 1.00 0.00 C ATOM 599 SD MET A 722 65.508 4.853 13.711 1.00 0.00 S ATOM 600 CE MET A 722 66.750 4.217 12.558 1.00 0.00 C ATOM 0 H MET A 722 62.833 0.487 13.616 1.00 0.00 H new ATOM 0 HA MET A 722 64.703 1.090 15.744 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.610 1.959 13.254 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.397 3.075 13.850 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.122 3.629 15.752 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.302 2.822 14.739 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.999 4.989 11.829 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.647 3.935 13.109 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.353 3.344 12.040 1.00 0.00 H new ATOM 610 N LEU A 723 61.569 1.929 15.940 1.00 0.00 N ATOM 611 CA LEU A 723 60.547 2.448 16.843 1.00 0.00 C ATOM 612 C LEU A 723 60.739 1.890 18.252 1.00 0.00 C ATOM 613 O LEU A 723 61.229 2.593 19.138 1.00 0.00 O ATOM 614 CB LEU A 723 59.154 2.077 16.322 1.00 0.00 C ATOM 615 CG LEU A 723 58.914 2.744 14.961 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.539 2.341 14.429 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.967 4.269 15.106 1.00 0.00 C ATOM 0 H LEU A 723 61.203 1.442 15.122 1.00 0.00 H new ATOM 0 HA LEU A 723 60.640 3.533 16.884 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.067 0.995 16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.392 2.397 17.033 1.00 0.00 H new ATOM 0 HG LEU A 723 59.690 2.419 14.268 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.370 2.815 13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.496 1.258 14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.769 2.662 15.131 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.796 4.733 14.135 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.197 4.595 15.805 1.00 0.00 H new ATOM 0 HD23 LEU A 723 59.947 4.565 15.482 1.00 0.00 H new