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 73:sc= 0.552 USER MOD Single : A 719 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.939 -4.332 -6.614 1.00 0.00 N ATOM 279 CA ALA A 701 45.279 -3.765 -6.513 1.00 0.00 C ATOM 280 C ALA A 701 45.980 -4.245 -5.243 1.00 0.00 C ATOM 281 O ALA A 701 47.199 -4.131 -5.121 1.00 0.00 O ATOM 282 CB ALA A 701 45.201 -2.238 -6.505 1.00 0.00 C ATOM 0 HA ALA A 701 45.854 -4.098 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.206 -1.823 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.734 -1.893 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.607 -1.908 -5.652 1.00 0.00 H new ATOM 288 N ILE A 702 45.194 -4.709 -4.271 1.00 0.00 N ATOM 289 CA ILE A 702 45.756 -5.223 -3.024 1.00 0.00 C ATOM 290 C ILE A 702 46.757 -6.340 -3.307 1.00 0.00 C ATOM 291 O ILE A 702 47.849 -6.360 -2.739 1.00 0.00 O ATOM 292 CB ILE A 702 44.633 -5.751 -2.119 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.190 -6.008 -0.712 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.070 -7.057 -2.697 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.126 -6.697 0.151 1.00 0.00 C ATOM 0 H ILE A 702 44.176 -4.739 -4.323 1.00 0.00 H new ATOM 0 HA ILE A 702 46.274 -4.408 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 702 43.835 -5.011 -2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 702 46.082 -6.632 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.490 -5.066 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.274 -7.427 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.672 -6.871 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.864 -7.801 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.527 -6.877 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.246 -6.057 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.847 -7.647 -0.305 1.00 0.00 H new ATOM 307 N ILE A 703 46.451 -7.147 -4.320 1.00 0.00 N ATOM 308 CA ILE A 703 47.349 -8.219 -4.736 1.00 0.00 C ATOM 309 C ILE A 703 48.653 -7.641 -5.276 1.00 0.00 C ATOM 310 O ILE A 703 49.736 -8.072 -4.881 1.00 0.00 O ATOM 311 CB ILE A 703 46.674 -9.071 -5.819 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.446 -9.779 -5.229 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.668 -10.112 -6.344 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.562 -10.312 -6.362 1.00 0.00 C ATOM 0 H ILE A 703 45.592 -7.079 -4.865 1.00 0.00 H new ATOM 0 HA ILE A 703 47.573 -8.843 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 703 46.357 -8.428 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.762 -10.600 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.879 -9.086 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 703 47.189 -10.717 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.535 -9.606 -6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.989 -10.755 -5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.692 -10.814 -5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.234 -9.483 -6.988 1.00 0.00 H new ATOM 0 HD13 ILE A 703 45.131 -11.019 -6.965 1.00 0.00 H new ATOM 326 N GLY A 704 48.538 -6.515 -5.976 1.00 0.00 N ATOM 327 CA GLY A 704 49.707 -5.847 -6.536 1.00 0.00 C ATOM 328 C GLY A 704 50.546 -5.204 -5.435 1.00 0.00 C ATOM 329 O GLY A 704 51.777 -5.246 -5.478 1.00 0.00 O ATOM 0 H GLY A 704 47.651 -6.049 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.313 -6.566 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.389 -5.086 -7.248 1.00 0.00 H new ATOM 333 N LEU A 705 49.872 -4.726 -4.390 1.00 0.00 N ATOM 334 CA LEU A 705 50.561 -4.141 -3.244 1.00 0.00 C ATOM 335 C LEU A 705 51.214 -5.225 -2.395 1.00 0.00 C ATOM 336 O LEU A 705 52.199 -4.968 -1.703 1.00 0.00 O ATOM 337 CB LEU A 705 49.574 -3.350 -2.383 1.00 0.00 C ATOM 338 CG LEU A 705 49.051 -2.145 -3.170 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.901 -1.492 -2.397 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.179 -1.129 -3.364 1.00 0.00 C ATOM 0 H LEU A 705 48.855 -4.733 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 705 51.335 -3.472 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.743 -3.990 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.063 -3.015 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 705 48.693 -2.476 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.528 -0.634 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.097 -2.215 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.259 -1.162 -1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.805 -0.272 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.540 -0.796 -2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.997 -1.594 -3.915 1.00 0.00 H new ATOM 352 N MET A 706 50.588 -6.400 -2.359 1.00 0.00 N ATOM 353 CA MET A 706 51.095 -7.498 -1.544 1.00 0.00 C ATOM 354 C MET A 706 52.368 -8.072 -2.158 1.00 0.00 C ATOM 355 O MET A 706 53.432 -8.033 -1.539 1.00 0.00 O ATOM 356 CB MET A 706 50.039 -8.602 -1.431 1.00 0.00 C ATOM 357 CG MET A 706 50.409 -9.542 -0.279 1.00 0.00 C ATOM 358 SD MET A 706 50.051 -8.733 1.302 1.00 0.00 S ATOM 359 CE MET A 706 48.499 -9.592 1.660 1.00 0.00 C ATOM 0 H MET A 706 49.737 -6.613 -2.880 1.00 0.00 H new ATOM 0 HA MET A 706 51.322 -7.113 -0.550 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.056 -8.164 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.978 -9.160 -2.365 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.846 -10.472 -0.359 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.466 -9.804 -0.334 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.098 -9.238 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 706 47.780 -9.392 0.865 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.683 -10.665 1.721 1.00 0.00 H new ATOM 369 N VAL A 707 52.290 -8.405 -3.443 1.00 0.00 N ATOM 370 CA VAL A 707 53.414 -9.030 -4.131 1.00 0.00 C ATOM 371 C VAL A 707 54.520 -8.010 -4.379 1.00 0.00 C ATOM 372 O VAL A 707 55.694 -8.283 -4.118 1.00 0.00 O ATOM 373 CB VAL A 707 52.944 -9.626 -5.463 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.416 -8.511 -6.377 1.00 0.00 C ATOM 375 CG2 VAL A 707 54.117 -10.338 -6.149 1.00 0.00 C ATOM 0 H VAL A 707 51.466 -8.254 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 707 53.810 -9.827 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 707 52.144 -10.342 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.084 -8.942 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.578 -8.009 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 707 53.211 -7.789 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 707 53.782 -10.761 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 707 54.918 -9.623 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.485 -11.136 -5.505 1.00 0.00 H new ATOM 385 N GLY A 708 54.117 -6.781 -4.695 1.00 0.00 N ATOM 386 CA GLY A 708 55.073 -5.705 -4.924 1.00 0.00 C ATOM 387 C GLY A 708 55.513 -5.075 -3.604 1.00 0.00 C ATOM 388 O GLY A 708 56.399 -4.220 -3.582 1.00 0.00 O ATOM 0 H GLY A 708 53.139 -6.508 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.943 -6.093 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.624 -4.944 -5.563 1.00 0.00 H new ATOM 392 N GLY A 709 54.941 -5.556 -2.502 1.00 0.00 N ATOM 393 CA GLY A 709 55.207 -4.970 -1.192 1.00 0.00 C ATOM 394 C GLY A 709 56.530 -5.474 -0.625 1.00 0.00 C ATOM 395 O GLY A 709 56.898 -5.138 0.500 1.00 0.00 O ATOM 0 H GLY A 709 54.295 -6.345 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.233 -3.883 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.396 -5.218 -0.507 1.00 0.00 H new ATOM 399 N VAL A 710 57.235 -6.288 -1.406 1.00 0.00 N ATOM 400 CA VAL A 710 58.454 -6.935 -0.928 1.00 0.00 C ATOM 401 C VAL A 710 59.539 -5.899 -0.643 1.00 0.00 C ATOM 402 O VAL A 710 60.129 -5.896 0.437 1.00 0.00 O ATOM 403 CB VAL A 710 58.960 -7.942 -1.969 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.968 -9.107 -2.080 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.103 -7.257 -3.334 1.00 0.00 C ATOM 0 H VAL A 710 56.985 -6.515 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 710 58.221 -7.461 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 710 59.933 -8.321 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.328 -9.822 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.877 -9.601 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.994 -8.727 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.463 -7.979 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.134 -6.870 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.814 -6.434 -3.256 1.00 0.00 H new ATOM 415 N VAL A 711 59.632 -4.900 -1.518 1.00 0.00 N ATOM 416 CA VAL A 711 60.614 -3.830 -1.346 1.00 0.00 C ATOM 417 C VAL A 711 60.159 -2.856 -0.263 1.00 0.00 C ATOM 418 O VAL A 711 60.921 -2.541 0.653 1.00 0.00 O ATOM 419 CB VAL A 711 60.818 -3.072 -2.667 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.951 -3.729 -3.463 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.527 -3.100 -3.496 1.00 0.00 C ATOM 0 H VAL A 711 59.045 -4.808 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 711 61.559 -4.282 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 711 61.077 -2.036 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.096 -3.192 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.871 -3.697 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.692 -4.766 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.683 -2.560 -4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.257 -4.133 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.723 -2.627 -2.933 1.00 0.00 H new ATOM 431 N ILE A 712 58.867 -2.541 -0.269 1.00 0.00 N ATOM 432 CA ILE A 712 58.319 -1.583 0.686 1.00 0.00 C ATOM 433 C ILE A 712 58.289 -2.185 2.089 1.00 0.00 C ATOM 434 O ILE A 712 58.561 -1.494 3.071 1.00 0.00 O ATOM 435 CB ILE A 712 56.900 -1.178 0.265 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.961 -0.399 -1.056 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.273 -0.297 1.351 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.582 -0.395 -1.720 1.00 0.00 C ATOM 0 H ILE A 712 58.185 -2.931 -0.919 1.00 0.00 H new ATOM 0 HA ILE A 712 58.958 -0.700 0.697 1.00 0.00 H new ATOM 0 HB ILE A 712 56.293 -2.073 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.288 0.624 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.694 -0.853 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.265 -0.010 1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.228 -0.852 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.879 0.598 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.631 0.159 -2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.272 -1.420 -1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.860 0.079 -1.056 1.00 0.00 H new ATOM 450 N ALA A 713 58.132 -3.505 2.157 1.00 0.00 N ATOM 451 CA ALA A 713 58.173 -4.211 3.433 1.00 0.00 C ATOM 452 C ALA A 713 59.516 -3.997 4.122 1.00 0.00 C ATOM 453 O ALA A 713 59.572 -3.405 5.199 1.00 0.00 O ATOM 454 CB ALA A 713 57.948 -5.708 3.210 1.00 0.00 C ATOM 0 H ALA A 713 57.976 -4.104 1.347 1.00 0.00 H new ATOM 0 HA ALA A 713 57.382 -3.814 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.980 -6.227 4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.975 -5.864 2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.729 -6.100 2.558 1.00 0.00 H new ATOM 460 N THR A 714 60.592 -4.235 3.376 1.00 0.00 N ATOM 461 CA THR A 714 61.938 -4.133 3.932 1.00 0.00 C ATOM 462 C THR A 714 62.226 -2.701 4.375 1.00 0.00 C ATOM 463 O THR A 714 62.643 -2.474 5.510 1.00 0.00 O ATOM 464 CB THR A 714 62.975 -4.567 2.886 1.00 0.00 C ATOM 465 OG1 THR A 714 62.317 -4.942 1.685 1.00 0.00 O ATOM 466 CG2 THR A 714 63.776 -5.758 3.421 1.00 0.00 C ATOM 0 H THR A 714 60.559 -4.498 2.391 1.00 0.00 H new ATOM 0 HA THR A 714 62.003 -4.791 4.799 1.00 0.00 H new ATOM 0 HB THR A 714 63.650 -3.735 2.684 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.978 -4.141 1.234 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.512 -6.065 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.287 -5.470 4.340 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.100 -6.588 3.627 1.00 0.00 H new ATOM 474 N VAL A 715 61.764 -1.744 3.573 1.00 0.00 N ATOM 475 CA VAL A 715 61.867 -0.334 3.937 1.00 0.00 C ATOM 476 C VAL A 715 61.178 -0.075 5.274 1.00 0.00 C ATOM 477 O VAL A 715 61.805 0.398 6.222 1.00 0.00 O ATOM 478 CB VAL A 715 61.225 0.533 2.847 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.079 1.974 3.350 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.106 0.516 1.595 1.00 0.00 C ATOM 0 H VAL A 715 61.318 -1.918 2.673 1.00 0.00 H new ATOM 0 HA VAL A 715 62.922 -0.075 4.031 1.00 0.00 H new ATOM 0 HB VAL A 715 60.240 0.135 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.622 2.586 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.448 1.987 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.062 2.375 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.649 1.132 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.092 0.911 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.204 -0.507 1.233 1.00 0.00 H new ATOM 490 N ILE A 716 59.933 -0.529 5.384 1.00 0.00 N ATOM 491 CA ILE A 716 59.143 -0.298 6.589 1.00 0.00 C ATOM 492 C ILE A 716 59.736 -1.063 7.770 1.00 0.00 C ATOM 493 O ILE A 716 59.735 -0.573 8.899 1.00 0.00 O ATOM 494 CB ILE A 716 57.696 -0.750 6.356 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.055 0.109 5.254 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.894 -0.613 7.657 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.701 1.496 5.801 1.00 0.00 C ATOM 0 H ILE A 716 59.451 -1.057 4.656 1.00 0.00 H new ATOM 0 HA ILE A 716 59.158 0.768 6.817 1.00 0.00 H new ATOM 0 HB ILE A 716 57.692 -1.794 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.742 0.206 4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.157 -0.381 4.877 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.867 -0.935 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.346 -1.234 8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.899 0.428 7.980 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.248 2.094 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.997 1.393 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.606 1.989 6.156 1.00 0.00 H new ATOM 509 N VAL A 717 60.243 -2.262 7.497 1.00 0.00 N ATOM 510 CA VAL A 717 60.780 -3.118 8.549 1.00 0.00 C ATOM 511 C VAL A 717 61.911 -2.409 9.288 1.00 0.00 C ATOM 512 O VAL A 717 61.858 -2.250 10.508 1.00 0.00 O ATOM 513 CB VAL A 717 61.303 -4.426 7.940 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.070 -5.222 9.002 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.125 -5.261 7.427 1.00 0.00 C ATOM 0 H VAL A 717 60.293 -2.661 6.560 1.00 0.00 H new ATOM 0 HA VAL A 717 59.982 -3.341 9.257 1.00 0.00 H new ATOM 0 HB VAL A 717 61.972 -4.193 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.439 -6.150 8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.912 -4.631 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.405 -5.453 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.498 -6.190 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.454 -5.490 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.584 -4.698 6.666 1.00 0.00 H new ATOM 525 N ILE A 718 62.822 -1.821 8.519 1.00 0.00 N ATOM 526 CA ILE A 718 63.962 -1.116 9.097 1.00 0.00 C ATOM 527 C ILE A 718 63.489 0.112 9.876 1.00 0.00 C ATOM 528 O ILE A 718 64.020 0.419 10.943 1.00 0.00 O ATOM 529 CB ILE A 718 64.933 -0.699 7.976 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.003 -1.783 7.790 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.620 0.626 8.334 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.342 -3.113 7.415 1.00 0.00 C ATOM 0 H ILE A 718 62.794 -1.818 7.499 1.00 0.00 H new ATOM 0 HA ILE A 718 64.480 -1.781 9.788 1.00 0.00 H new ATOM 0 HB ILE A 718 64.367 -0.574 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.704 -1.484 7.011 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.578 -1.899 8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.303 0.909 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.867 1.404 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.178 0.507 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.109 -3.877 7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.659 -3.416 8.208 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.787 -2.994 6.484 1.00 0.00 H new ATOM 544 N THR A 719 62.395 0.715 9.414 1.00 0.00 N ATOM 545 CA THR A 719 61.789 1.834 10.128 1.00 0.00 C ATOM 546 C THR A 719 61.206 1.365 11.458 1.00 0.00 C ATOM 547 O THR A 719 61.543 1.905 12.512 1.00 0.00 O ATOM 548 CB THR A 719 60.678 2.462 9.277 1.00 0.00 C ATOM 549 OG1 THR A 719 61.003 2.336 7.901 1.00 0.00 O ATOM 550 CG2 THR A 719 60.536 3.946 9.633 1.00 0.00 C ATOM 0 H THR A 719 61.914 0.449 8.555 1.00 0.00 H new ATOM 0 HA THR A 719 62.562 2.578 10.321 1.00 0.00 H new ATOM 0 HB THR A 719 59.738 1.948 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.291 2.736 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.746 4.391 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.283 4.044 10.689 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.477 4.459 9.436 1.00 0.00 H new ATOM 558 N LEU A 720 60.532 0.219 11.417 1.00 0.00 N ATOM 559 CA LEU A 720 59.836 -0.297 12.591 1.00 0.00 C ATOM 560 C LEU A 720 60.835 -0.755 13.649 1.00 0.00 C ATOM 561 O LEU A 720 60.496 -0.852 14.829 1.00 0.00 O ATOM 562 CB LEU A 720 58.943 -1.475 12.185 1.00 0.00 C ATOM 563 CG LEU A 720 57.467 -1.080 12.316 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.132 0.023 11.303 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.589 -2.306 12.049 1.00 0.00 C ATOM 0 H LEU A 720 60.453 -0.368 10.587 1.00 0.00 H new ATOM 0 HA LEU A 720 59.223 0.501 13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.160 -1.770 11.158 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.155 -2.338 12.816 1.00 0.00 H new ATOM 0 HG LEU A 720 57.280 -0.708 13.323 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.082 0.300 11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.757 0.895 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.319 -0.342 10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.539 -2.029 12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.779 -2.677 11.042 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.823 -3.086 12.773 1.00 0.00 H new ATOM 577 N VAL A 721 62.007 -1.194 13.194 1.00 0.00 N ATOM 578 CA VAL A 721 63.080 -1.578 14.108 1.00 0.00 C ATOM 579 C VAL A 721 63.483 -0.394 14.983 1.00 0.00 C ATOM 580 O VAL A 721 63.509 -0.507 16.210 1.00 0.00 O ATOM 581 CB VAL A 721 64.293 -2.074 13.310 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.519 -2.149 14.227 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.998 -3.465 12.742 1.00 0.00 C ATOM 0 H VAL A 721 62.237 -1.292 12.205 1.00 0.00 H new ATOM 0 HA VAL A 721 62.720 -2.381 14.751 1.00 0.00 H new ATOM 0 HB VAL A 721 64.493 -1.381 12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.379 -2.502 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.733 -1.159 14.631 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.319 -2.840 15.046 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.860 -3.817 12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.795 -4.156 13.560 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.129 -3.413 12.086 1.00 0.00 H new ATOM 593 N MET A 722 63.557 0.781 14.367 1.00 0.00 N ATOM 594 CA MET A 722 63.984 1.980 15.078 1.00 0.00 C ATOM 595 C MET A 722 62.870 2.486 15.987 1.00 0.00 C ATOM 596 O MET A 722 63.130 2.932 17.104 1.00 0.00 O ATOM 597 CB MET A 722 64.364 3.070 14.074 1.00 0.00 C ATOM 598 CG MET A 722 65.387 4.013 14.710 1.00 0.00 C ATOM 599 SD MET A 722 67.020 3.234 14.686 1.00 0.00 S ATOM 600 CE MET A 722 67.997 4.742 14.907 1.00 0.00 C ATOM 0 H MET A 722 63.329 0.928 13.384 1.00 0.00 H new ATOM 0 HA MET A 722 64.851 1.732 15.690 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.779 2.620 13.172 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.477 3.628 13.773 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.415 4.957 14.166 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.097 4.244 15.735 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.057 4.490 14.922 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.799 5.428 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.724 5.217 15.849 1.00 0.00 H new ATOM 610 N LEU A 723 61.628 2.271 15.562 1.00 0.00 N ATOM 611 CA LEU A 723 60.474 2.690 16.351 1.00 0.00 C ATOM 612 C LEU A 723 60.211 1.703 17.482 1.00 0.00 C ATOM 613 O LEU A 723 60.524 1.986 18.639 1.00 0.00 O ATOM 614 CB LEU A 723 59.235 2.786 15.458 1.00 0.00 C ATOM 615 CG LEU A 723 59.464 3.841 14.375 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.322 3.778 13.361 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.508 5.234 15.012 1.00 0.00 C ATOM 0 H LEU A 723 61.396 1.812 14.681 1.00 0.00 H new ATOM 0 HA LEU A 723 60.689 3.669 16.780 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.029 1.819 15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.362 3.048 16.056 1.00 0.00 H new ATOM 0 HG LEU A 723 60.412 3.647 13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.481 4.529 12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.294 2.788 12.906 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.376 3.973 13.866 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.671 5.983 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.562 5.434 15.516 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.322 5.277 15.736 1.00 0.00 H new