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= 0.109 USER MOD Single : A 719 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.043 -5.074 -6.060 1.00 0.00 N ATOM 279 CA ALA A 701 44.274 -4.677 -6.737 1.00 0.00 C ATOM 280 C ALA A 701 45.468 -4.770 -5.789 1.00 0.00 C ATOM 281 O ALA A 701 46.617 -4.812 -6.231 1.00 0.00 O ATOM 282 CB ALA A 701 44.144 -3.243 -7.258 1.00 0.00 C ATOM 0 HA ALA A 701 44.439 -5.356 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.066 -2.954 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.313 -3.185 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 701 43.960 -2.568 -6.422 1.00 0.00 H new ATOM 288 N ILE A 702 45.183 -4.908 -4.495 1.00 0.00 N ATOM 289 CA ILE A 702 46.240 -4.971 -3.491 1.00 0.00 C ATOM 290 C ILE A 702 47.088 -6.228 -3.682 1.00 0.00 C ATOM 291 O ILE A 702 48.302 -6.193 -3.490 1.00 0.00 O ATOM 292 CB ILE A 702 45.628 -4.960 -2.082 1.00 0.00 C ATOM 293 CG1 ILE A 702 46.702 -4.565 -1.060 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.080 -6.351 -1.738 1.00 0.00 C ATOM 295 CD1 ILE A 702 46.092 -4.531 0.344 1.00 0.00 C ATOM 0 H ILE A 702 44.237 -4.978 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 702 46.882 -4.098 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 702 44.812 -4.238 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 702 47.527 -5.277 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 702 47.115 -3.588 -1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.648 -6.335 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.312 -6.628 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 702 45.890 -7.080 -1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 702 46.858 -4.250 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.282 -3.802 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.701 -5.517 0.595 1.00 0.00 H new ATOM 307 N ILE A 703 46.477 -7.260 -4.265 1.00 0.00 N ATOM 308 CA ILE A 703 47.167 -8.530 -4.485 1.00 0.00 C ATOM 309 C ILE A 703 48.411 -8.319 -5.346 1.00 0.00 C ATOM 310 O ILE A 703 49.499 -8.783 -5.001 1.00 0.00 O ATOM 311 CB ILE A 703 46.213 -9.530 -5.164 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.492 -10.355 -4.093 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.003 -10.473 -6.082 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.598 -9.442 -3.252 1.00 0.00 C ATOM 0 H ILE A 703 45.511 -7.241 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 703 47.480 -8.933 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 703 45.485 -8.978 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.892 -11.134 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE A 703 46.220 -10.855 -3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.319 -11.176 -6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.515 -9.891 -6.848 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.737 -11.023 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 703 44.087 -10.033 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 703 45.209 -8.679 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.860 -8.962 -3.895 1.00 0.00 H new ATOM 326 N GLY A 704 48.270 -7.495 -6.382 1.00 0.00 N ATOM 327 CA GLY A 704 49.392 -7.183 -7.259 1.00 0.00 C ATOM 328 C GLY A 704 50.493 -6.453 -6.491 1.00 0.00 C ATOM 329 O GLY A 704 51.648 -6.881 -6.497 1.00 0.00 O ATOM 0 H GLY A 704 47.395 -7.035 -6.632 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.790 -8.102 -7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.050 -6.565 -8.089 1.00 0.00 H new ATOM 333 N LEU A 705 50.076 -5.500 -5.661 1.00 0.00 N ATOM 334 CA LEU A 705 51.019 -4.714 -4.870 1.00 0.00 C ATOM 335 C LEU A 705 51.582 -5.541 -3.717 1.00 0.00 C ATOM 336 O LEU A 705 52.677 -5.266 -3.224 1.00 0.00 O ATOM 337 CB LEU A 705 50.319 -3.472 -4.310 1.00 0.00 C ATOM 338 CG LEU A 705 49.867 -2.563 -5.459 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.964 -1.461 -4.900 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.089 -1.926 -6.128 1.00 0.00 C ATOM 0 H LEU A 705 49.096 -5.254 -5.519 1.00 0.00 H new ATOM 0 HA LEU A 705 51.841 -4.413 -5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.459 -3.769 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.996 -2.929 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 705 49.321 -3.153 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 705 48.639 -0.810 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.093 -1.911 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.517 -0.876 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 705 50.762 -1.281 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.638 -1.334 -5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.738 -2.709 -6.522 1.00 0.00 H new ATOM 352 N MET A 706 50.847 -6.581 -3.321 1.00 0.00 N ATOM 353 CA MET A 706 51.245 -7.404 -2.182 1.00 0.00 C ATOM 354 C MET A 706 52.513 -8.181 -2.508 1.00 0.00 C ATOM 355 O MET A 706 53.517 -8.073 -1.802 1.00 0.00 O ATOM 356 CB MET A 706 50.126 -8.389 -1.820 1.00 0.00 C ATOM 357 CG MET A 706 50.090 -8.585 -0.301 1.00 0.00 C ATOM 358 SD MET A 706 51.698 -9.196 0.267 1.00 0.00 S ATOM 359 CE MET A 706 51.127 -9.937 1.815 1.00 0.00 C ATOM 0 H MET A 706 49.978 -6.871 -3.770 1.00 0.00 H new ATOM 0 HA MET A 706 51.434 -6.745 -1.334 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.166 -8.011 -2.171 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.293 -9.345 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.852 -7.643 0.192 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.305 -9.292 -0.033 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.973 -10.382 2.339 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.675 -9.168 2.442 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.388 -10.708 1.598 1.00 0.00 H new ATOM 369 N VAL A 707 52.515 -8.810 -3.679 1.00 0.00 N ATOM 370 CA VAL A 707 53.695 -9.524 -4.151 1.00 0.00 C ATOM 371 C VAL A 707 54.825 -8.543 -4.446 1.00 0.00 C ATOM 372 O VAL A 707 55.964 -8.761 -4.031 1.00 0.00 O ATOM 373 CB VAL A 707 53.354 -10.310 -5.420 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.599 -11.059 -5.906 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.234 -11.314 -5.121 1.00 0.00 C ATOM 0 H VAL A 707 51.718 -8.840 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 707 54.020 -10.215 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 707 53.020 -9.619 -6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.357 -11.619 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.392 -10.344 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.935 -11.748 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.994 -11.872 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.563 -12.006 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.348 -10.779 -4.778 1.00 0.00 H new ATOM 385 N GLY A 708 54.461 -7.383 -4.987 1.00 0.00 N ATOM 386 CA GLY A 708 55.444 -6.350 -5.297 1.00 0.00 C ATOM 387 C GLY A 708 55.795 -5.536 -4.053 1.00 0.00 C ATOM 388 O GLY A 708 56.613 -4.617 -4.119 1.00 0.00 O ATOM 0 H GLY A 708 53.499 -7.136 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.346 -6.811 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.051 -5.689 -6.069 1.00 0.00 H new ATOM 392 N GLY A 709 55.303 -5.984 -2.899 1.00 0.00 N ATOM 393 CA GLY A 709 55.537 -5.273 -1.646 1.00 0.00 C ATOM 394 C GLY A 709 56.875 -5.671 -1.031 1.00 0.00 C ATOM 395 O GLY A 709 57.163 -5.332 0.116 1.00 0.00 O ATOM 0 H GLY A 709 54.743 -6.832 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.521 -4.198 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.732 -5.491 -0.945 1.00 0.00 H new ATOM 399 N VAL A 710 57.704 -6.360 -1.814 1.00 0.00 N ATOM 400 CA VAL A 710 58.967 -6.891 -1.305 1.00 0.00 C ATOM 401 C VAL A 710 59.938 -5.758 -0.985 1.00 0.00 C ATOM 402 O VAL A 710 60.523 -5.723 0.099 1.00 0.00 O ATOM 403 CB VAL A 710 59.597 -7.834 -2.339 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.697 -9.060 -2.533 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.765 -7.102 -3.678 1.00 0.00 C ATOM 0 H VAL A 710 57.525 -6.563 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 710 58.761 -7.445 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 710 60.575 -8.155 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.146 -9.728 -3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.588 -9.585 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.717 -8.740 -2.886 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.213 -7.777 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.790 -6.773 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.412 -6.236 -3.540 1.00 0.00 H new ATOM 415 N VAL A 711 59.955 -4.746 -1.848 1.00 0.00 N ATOM 416 CA VAL A 711 60.823 -3.589 -1.645 1.00 0.00 C ATOM 417 C VAL A 711 60.266 -2.692 -0.544 1.00 0.00 C ATOM 418 O VAL A 711 60.968 -2.371 0.415 1.00 0.00 O ATOM 419 CB VAL A 711 60.955 -2.782 -2.946 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.195 -3.252 -3.715 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.707 -2.980 -3.816 1.00 0.00 C ATOM 0 H VAL A 711 59.381 -4.703 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 711 61.807 -3.951 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 711 61.055 -1.724 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.289 -2.680 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 711 63.083 -3.100 -3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.096 -4.311 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.810 -2.404 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.597 -4.037 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.826 -2.640 -3.271 1.00 0.00 H new ATOM 431 N ILE A 712 58.952 -2.479 -0.580 1.00 0.00 N ATOM 432 CA ILE A 712 58.300 -1.609 0.394 1.00 0.00 C ATOM 433 C ILE A 712 58.310 -2.257 1.775 1.00 0.00 C ATOM 434 O ILE A 712 58.531 -1.580 2.780 1.00 0.00 O ATOM 435 CB ILE A 712 56.855 -1.331 -0.039 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.859 -0.545 -1.356 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.144 -0.513 1.045 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.486 -0.654 -2.025 1.00 0.00 C ATOM 0 H ILE A 712 58.323 -2.894 -1.268 1.00 0.00 H new ATOM 0 HA ILE A 712 58.848 -0.668 0.444 1.00 0.00 H new ATOM 0 HB ILE A 712 56.330 -2.275 -0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.100 0.501 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.630 -0.934 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.117 -0.316 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.141 -1.073 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.667 0.432 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.492 -0.095 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.263 -1.701 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.724 -0.244 -1.362 1.00 0.00 H new ATOM 450 N ALA A 713 58.263 -3.586 1.797 1.00 0.00 N ATOM 451 CA ALA A 713 58.355 -4.327 3.051 1.00 0.00 C ATOM 452 C ALA A 713 59.641 -3.974 3.790 1.00 0.00 C ATOM 453 O ALA A 713 59.590 -3.351 4.850 1.00 0.00 O ATOM 454 CB ALA A 713 58.316 -5.833 2.774 1.00 0.00 C ATOM 0 H ALA A 713 58.162 -4.169 0.966 1.00 0.00 H new ATOM 0 HA ALA A 713 57.505 -4.052 3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.385 -6.378 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.381 -6.087 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 713 59.154 -6.107 2.134 1.00 0.00 H new ATOM 460 N THR A 714 60.765 -4.098 3.086 1.00 0.00 N ATOM 461 CA THR A 714 62.071 -3.839 3.688 1.00 0.00 C ATOM 462 C THR A 714 62.146 -2.408 4.213 1.00 0.00 C ATOM 463 O THR A 714 62.529 -2.184 5.361 1.00 0.00 O ATOM 464 CB THR A 714 63.184 -4.061 2.653 1.00 0.00 C ATOM 465 OG1 THR A 714 62.672 -4.788 1.546 1.00 0.00 O ATOM 466 CG2 THR A 714 64.333 -4.846 3.292 1.00 0.00 C ATOM 0 H THR A 714 60.798 -4.374 2.105 1.00 0.00 H new ATOM 0 HA THR A 714 62.206 -4.530 4.520 1.00 0.00 H new ATOM 0 HB THR A 714 63.552 -3.094 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.385 -4.926 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.121 -5.002 2.555 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.732 -4.284 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.965 -5.811 3.640 1.00 0.00 H new ATOM 474 N VAL A 715 61.574 -1.482 3.446 1.00 0.00 N ATOM 475 CA VAL A 715 61.572 -0.071 3.827 1.00 0.00 C ATOM 476 C VAL A 715 60.831 0.125 5.145 1.00 0.00 C ATOM 477 O VAL A 715 61.414 0.575 6.131 1.00 0.00 O ATOM 478 CB VAL A 715 60.894 0.759 2.730 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.897 2.239 3.127 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.646 0.579 1.406 1.00 0.00 C ATOM 0 H VAL A 715 61.108 -1.682 2.561 1.00 0.00 H new ATOM 0 HA VAL A 715 62.604 0.258 3.951 1.00 0.00 H new ATOM 0 HB VAL A 715 59.865 0.421 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.415 2.826 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.354 2.366 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.925 2.579 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.161 1.170 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.677 0.912 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.635 -0.473 1.121 1.00 0.00 H new ATOM 490 N ILE A 716 59.614 -0.408 5.202 1.00 0.00 N ATOM 491 CA ILE A 716 58.767 -0.256 6.379 1.00 0.00 C ATOM 492 C ILE A 716 59.326 -1.072 7.545 1.00 0.00 C ATOM 493 O ILE A 716 59.364 -0.598 8.681 1.00 0.00 O ATOM 494 CB ILE A 716 57.339 -0.716 6.040 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.514 0.480 5.544 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.665 -1.311 7.282 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.165 1.088 4.298 1.00 0.00 C ATOM 0 H ILE A 716 59.193 -0.949 4.447 1.00 0.00 H new ATOM 0 HA ILE A 716 58.747 0.793 6.676 1.00 0.00 H new ATOM 0 HB ILE A 716 57.392 -1.476 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.498 0.160 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.441 1.232 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.655 -1.633 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.241 -2.167 7.634 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.619 -0.557 8.068 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.572 1.935 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.172 1.425 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.215 0.337 3.510 1.00 0.00 H new ATOM 509 N VAL A 717 59.903 -2.228 7.223 1.00 0.00 N ATOM 510 CA VAL A 717 60.459 -3.112 8.242 1.00 0.00 C ATOM 511 C VAL A 717 61.677 -2.469 8.898 1.00 0.00 C ATOM 512 O VAL A 717 61.861 -2.566 10.113 1.00 0.00 O ATOM 513 CB VAL A 717 60.861 -4.450 7.605 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.616 -5.306 8.629 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.605 -5.196 7.143 1.00 0.00 C ATOM 0 H VAL A 717 59.997 -2.572 6.268 1.00 0.00 H new ATOM 0 HA VAL A 717 59.700 -3.286 9.005 1.00 0.00 H new ATOM 0 HB VAL A 717 61.507 -4.259 6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.899 -6.254 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.512 -4.778 8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.974 -5.495 9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.891 -6.146 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.957 -5.383 7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.072 -4.591 6.409 1.00 0.00 H new ATOM 525 N ILE A 718 62.459 -1.746 8.100 1.00 0.00 N ATOM 526 CA ILE A 718 63.653 -1.080 8.608 1.00 0.00 C ATOM 527 C ILE A 718 63.269 0.083 9.520 1.00 0.00 C ATOM 528 O ILE A 718 63.996 0.409 10.459 1.00 0.00 O ATOM 529 CB ILE A 718 64.503 -0.570 7.435 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.193 -1.754 6.749 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.565 0.410 7.949 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.660 -1.340 5.351 1.00 0.00 C ATOM 0 H ILE A 718 62.288 -1.607 7.104 1.00 0.00 H new ATOM 0 HA ILE A 718 64.234 -1.797 9.187 1.00 0.00 H new ATOM 0 HB ILE A 718 63.857 -0.059 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.044 -2.086 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.506 -2.597 6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.165 0.768 7.112 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.076 1.255 8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.210 -0.096 8.667 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.150 -2.184 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.800 -1.030 4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.363 -0.511 5.433 1.00 0.00 H new ATOM 544 N THR A 719 62.087 0.649 9.288 1.00 0.00 N ATOM 545 CA THR A 719 61.552 1.676 10.177 1.00 0.00 C ATOM 546 C THR A 719 60.976 1.047 11.443 1.00 0.00 C ATOM 547 O THR A 719 60.937 1.680 12.499 1.00 0.00 O ATOM 548 CB THR A 719 60.456 2.480 9.462 1.00 0.00 C ATOM 549 OG1 THR A 719 60.293 1.995 8.137 1.00 0.00 O ATOM 550 CG2 THR A 719 60.851 3.958 9.415 1.00 0.00 C ATOM 0 H THR A 719 61.486 0.416 8.498 1.00 0.00 H new ATOM 0 HA THR A 719 62.368 2.343 10.453 1.00 0.00 H new ATOM 0 HB THR A 719 59.518 2.370 10.007 1.00 0.00 H new ATOM 0 HG1 THR A 719 59.592 2.509 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.072 4.527 8.907 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.972 4.335 10.431 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.791 4.066 8.874 1.00 0.00 H new ATOM 558 N LEU A 720 60.558 -0.213 11.335 1.00 0.00 N ATOM 559 CA LEU A 720 59.852 -0.873 12.429 1.00 0.00 C ATOM 560 C LEU A 720 60.800 -1.149 13.593 1.00 0.00 C ATOM 561 O LEU A 720 60.373 -1.214 14.746 1.00 0.00 O ATOM 562 CB LEU A 720 59.243 -2.191 11.939 1.00 0.00 C ATOM 563 CG LEU A 720 57.835 -2.357 12.523 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.841 -1.506 11.722 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.422 -3.831 12.454 1.00 0.00 C ATOM 0 H LEU A 720 60.695 -0.793 10.507 1.00 0.00 H new ATOM 0 HA LEU A 720 59.057 -0.211 12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.199 -2.200 10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.873 -3.028 12.240 1.00 0.00 H new ATOM 0 HG LEU A 720 57.834 -2.029 13.563 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.841 -1.626 12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.134 -0.457 11.776 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.841 -1.830 10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.421 -3.948 12.869 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.425 -4.161 11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.126 -4.433 13.028 1.00 0.00 H new ATOM 577 N VAL A 721 62.100 -1.170 13.297 1.00 0.00 N ATOM 578 CA VAL A 721 63.109 -1.373 14.334 1.00 0.00 C ATOM 579 C VAL A 721 63.142 -0.180 15.286 1.00 0.00 C ATOM 580 O VAL A 721 63.314 -0.352 16.493 1.00 0.00 O ATOM 581 CB VAL A 721 64.492 -1.567 13.695 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.388 -2.554 12.527 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.025 -0.224 13.183 1.00 0.00 C ATOM 0 H VAL A 721 62.476 -1.050 12.356 1.00 0.00 H new ATOM 0 HA VAL A 721 62.848 -2.267 14.900 1.00 0.00 H new ATOM 0 HB VAL A 721 65.177 -1.962 14.445 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.371 -2.689 12.076 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.022 -3.513 12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.697 -2.163 11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.006 -0.370 12.731 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.339 0.180 12.438 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.109 0.475 14.015 1.00 0.00 H new ATOM 593 N MET A 722 62.739 0.979 14.772 1.00 0.00 N ATOM 594 CA MET A 722 62.751 2.206 15.562 1.00 0.00 C ATOM 595 C MET A 722 61.673 2.157 16.637 1.00 0.00 C ATOM 596 O MET A 722 61.912 2.535 17.785 1.00 0.00 O ATOM 597 CB MET A 722 62.511 3.412 14.648 1.00 0.00 C ATOM 598 CG MET A 722 63.176 4.653 15.248 1.00 0.00 C ATOM 599 SD MET A 722 64.917 4.700 14.753 1.00 0.00 S ATOM 600 CE MET A 722 65.361 6.231 15.614 1.00 0.00 C ATOM 0 H MET A 722 62.402 1.094 13.816 1.00 0.00 H new ATOM 0 HA MET A 722 63.724 2.302 16.044 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.916 3.215 13.655 1.00 0.00 H new ATOM 0 HB3 MET A 722 61.441 3.583 14.528 1.00 0.00 H new ATOM 0 HG2 MET A 722 62.665 5.554 14.907 1.00 0.00 H new ATOM 0 HG3 MET A 722 63.096 4.633 16.335 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.414 6.454 15.441 1.00 0.00 H new ATOM 0 HE2 MET A 722 64.750 7.051 15.237 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.187 6.111 16.683 1.00 0.00 H new ATOM 610 N LEU A 723 60.532 1.572 16.286 1.00 0.00 N ATOM 611 CA LEU A 723 59.461 1.355 17.251 1.00 0.00 C ATOM 612 C LEU A 723 59.783 0.169 18.154 1.00 0.00 C ATOM 613 O LEU A 723 59.663 0.266 19.377 1.00 0.00 O ATOM 614 CB LEU A 723 58.143 1.101 16.515 1.00 0.00 C ATOM 615 CG LEU A 723 57.817 2.294 15.611 1.00 0.00 C ATOM 616 CD1 LEU A 723 56.577 1.969 14.776 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.542 3.535 16.468 1.00 0.00 C ATOM 0 H LEU A 723 60.326 1.241 15.343 1.00 0.00 H new ATOM 0 HA LEU A 723 59.366 2.248 17.869 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.218 0.191 15.919 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.338 0.947 17.234 1.00 0.00 H new ATOM 0 HG LEU A 723 58.664 2.492 14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.341 2.815 14.131 1.00 0.00 H new ATOM 0 HD12 LEU A 723 56.771 1.089 14.163 1.00 0.00 H new ATOM 0 HD13 LEU A 723 55.734 1.771 15.438 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.311 4.381 15.820 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.696 3.341 17.128 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.423 3.767 17.066 1.00 0.00 H new