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 -27:sc= 0.895 USER MOD Single : A 719 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.712 -4.682 -6.315 1.00 0.00 N ATOM 279 CA ALA A 701 45.091 -4.208 -6.330 1.00 0.00 C ATOM 280 C ALA A 701 45.845 -4.688 -5.093 1.00 0.00 C ATOM 281 O ALA A 701 47.071 -4.793 -5.113 1.00 0.00 O ATOM 282 CB ALA A 701 45.114 -2.679 -6.382 1.00 0.00 C ATOM 0 HA ALA A 701 45.582 -4.613 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.147 -2.331 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.606 -2.338 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.605 -2.277 -5.506 1.00 0.00 H new ATOM 288 N ILE A 702 45.101 -5.096 -4.064 1.00 0.00 N ATOM 289 CA ILE A 702 45.715 -5.564 -2.822 1.00 0.00 C ATOM 290 C ILE A 702 46.640 -6.745 -3.096 1.00 0.00 C ATOM 291 O ILE A 702 47.681 -6.886 -2.459 1.00 0.00 O ATOM 292 CB ILE A 702 44.638 -5.985 -1.813 1.00 0.00 C ATOM 293 CG1 ILE A 702 43.828 -7.166 -2.374 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.711 -4.796 -1.531 1.00 0.00 C ATOM 295 CD1 ILE A 702 42.785 -7.621 -1.347 1.00 0.00 C ATOM 0 H ILE A 702 44.081 -5.112 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 702 46.296 -4.742 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 702 45.114 -6.297 -0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.334 -6.872 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.496 -7.993 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 702 42.945 -5.093 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 702 44.292 -3.971 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 702 43.236 -4.477 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 702 42.216 -8.458 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.288 -7.934 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 702 42.108 -6.796 -1.125 1.00 0.00 H new ATOM 307 N ILE A 703 46.328 -7.491 -4.151 1.00 0.00 N ATOM 308 CA ILE A 703 47.127 -8.652 -4.520 1.00 0.00 C ATOM 309 C ILE A 703 48.485 -8.211 -5.062 1.00 0.00 C ATOM 310 O ILE A 703 49.525 -8.625 -4.548 1.00 0.00 O ATOM 311 CB ILE A 703 46.389 -9.476 -5.581 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.972 -9.798 -5.086 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.153 -10.778 -5.838 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.176 -10.484 -6.200 1.00 0.00 C ATOM 0 H ILE A 703 45.531 -7.313 -4.762 1.00 0.00 H new ATOM 0 HA ILE A 703 47.284 -9.265 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 703 46.326 -8.905 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.021 -10.445 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.468 -8.882 -4.777 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.629 -11.365 -6.592 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.158 -10.547 -6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.217 -11.351 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.171 -10.710 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.114 -9.822 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.676 -11.409 -6.488 1.00 0.00 H new ATOM 326 N GLY A 704 48.460 -7.192 -5.918 1.00 0.00 N ATOM 327 CA GLY A 704 49.686 -6.659 -6.502 1.00 0.00 C ATOM 328 C GLY A 704 50.454 -5.821 -5.487 1.00 0.00 C ATOM 329 O GLY A 704 51.682 -5.739 -5.537 1.00 0.00 O ATOM 0 H GLY A 704 47.607 -6.721 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.313 -7.479 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.444 -6.050 -7.373 1.00 0.00 H new ATOM 333 N LEU A 705 49.716 -5.114 -4.639 1.00 0.00 N ATOM 334 CA LEU A 705 50.332 -4.326 -3.578 1.00 0.00 C ATOM 335 C LEU A 705 50.910 -5.232 -2.492 1.00 0.00 C ATOM 336 O LEU A 705 51.996 -4.969 -1.977 1.00 0.00 O ATOM 337 CB LEU A 705 49.294 -3.384 -2.959 1.00 0.00 C ATOM 338 CG LEU A 705 48.854 -2.335 -3.988 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.754 -1.468 -3.367 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.043 -1.452 -4.380 1.00 0.00 C ATOM 0 H LEU A 705 48.697 -5.070 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 705 51.143 -3.743 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.430 -3.955 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 705 49.716 -2.891 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 705 48.478 -2.834 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.432 -0.717 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 705 46.906 -2.096 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.140 -0.973 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.720 -0.711 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.427 -0.945 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.828 -2.071 -4.814 1.00 0.00 H new ATOM 352 N MET A 706 50.238 -6.355 -2.237 1.00 0.00 N ATOM 353 CA MET A 706 50.680 -7.285 -1.198 1.00 0.00 C ATOM 354 C MET A 706 52.053 -7.851 -1.541 1.00 0.00 C ATOM 355 O MET A 706 53.019 -7.645 -0.807 1.00 0.00 O ATOM 356 CB MET A 706 49.668 -8.432 -1.052 1.00 0.00 C ATOM 357 CG MET A 706 50.260 -9.554 -0.190 1.00 0.00 C ATOM 358 SD MET A 706 51.028 -8.851 1.293 1.00 0.00 S ATOM 359 CE MET A 706 49.754 -9.353 2.478 1.00 0.00 C ATOM 0 H MET A 706 49.393 -6.641 -2.731 1.00 0.00 H new ATOM 0 HA MET A 706 50.747 -6.744 -0.254 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.749 -8.061 -0.598 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.403 -8.820 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.478 -10.258 0.094 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.000 -10.113 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 706 50.032 -9.015 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.800 -8.908 2.197 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.663 -10.439 2.476 1.00 0.00 H new ATOM 369 N VAL A 707 52.160 -8.440 -2.730 1.00 0.00 N ATOM 370 CA VAL A 707 53.408 -9.068 -3.151 1.00 0.00 C ATOM 371 C VAL A 707 54.443 -8.008 -3.511 1.00 0.00 C ATOM 372 O VAL A 707 55.589 -8.074 -3.062 1.00 0.00 O ATOM 373 CB VAL A 707 53.157 -9.980 -4.360 1.00 0.00 C ATOM 374 CG1 VAL A 707 52.650 -9.147 -5.544 1.00 0.00 C ATOM 375 CG2 VAL A 707 54.461 -10.685 -4.753 1.00 0.00 C ATOM 0 H VAL A 707 51.404 -8.495 -3.413 1.00 0.00 H new ATOM 0 HA VAL A 707 53.790 -9.666 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 707 52.406 -10.725 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 707 52.474 -9.800 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.719 -8.651 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 707 53.396 -8.397 -5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 707 54.280 -11.332 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 707 55.214 -9.940 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.817 -11.285 -3.915 1.00 0.00 H new ATOM 385 N GLY A 708 53.976 -6.939 -4.148 1.00 0.00 N ATOM 386 CA GLY A 708 54.860 -5.858 -4.564 1.00 0.00 C ATOM 387 C GLY A 708 55.266 -4.995 -3.373 1.00 0.00 C ATOM 388 O GLY A 708 56.159 -4.155 -3.483 1.00 0.00 O ATOM 0 H GLY A 708 52.994 -6.799 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.750 -6.273 -5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.360 -5.241 -5.311 1.00 0.00 H new ATOM 392 N GLY A 709 54.673 -5.276 -2.216 1.00 0.00 N ATOM 393 CA GLY A 709 55.046 -4.587 -0.985 1.00 0.00 C ATOM 394 C GLY A 709 56.299 -5.203 -0.373 1.00 0.00 C ATOM 395 O GLY A 709 56.638 -4.922 0.776 1.00 0.00 O ATOM 0 H GLY A 709 53.936 -5.972 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.220 -3.531 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.224 -4.640 -0.271 1.00 0.00 H new ATOM 399 N VAL A 710 57.026 -5.980 -1.174 1.00 0.00 N ATOM 400 CA VAL A 710 58.256 -6.612 -0.708 1.00 0.00 C ATOM 401 C VAL A 710 59.340 -5.565 -0.464 1.00 0.00 C ATOM 402 O VAL A 710 60.023 -5.592 0.559 1.00 0.00 O ATOM 403 CB VAL A 710 58.743 -7.637 -1.741 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.002 -6.942 -3.085 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.040 -8.287 -1.243 1.00 0.00 C ATOM 0 H VAL A 710 56.785 -6.186 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 710 58.048 -7.121 0.233 1.00 0.00 H new ATOM 0 HB VAL A 710 57.978 -8.402 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.347 -7.676 -3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.080 -6.484 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.763 -6.173 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.387 -9.015 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.802 -7.520 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.854 -8.788 -0.293 1.00 0.00 H new ATOM 415 N VAL A 711 59.424 -4.590 -1.367 1.00 0.00 N ATOM 416 CA VAL A 711 60.441 -3.551 -1.265 1.00 0.00 C ATOM 417 C VAL A 711 60.070 -2.544 -0.179 1.00 0.00 C ATOM 418 O VAL A 711 60.896 -2.203 0.666 1.00 0.00 O ATOM 419 CB VAL A 711 60.596 -2.833 -2.612 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.257 -2.212 -3.030 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.656 -1.732 -2.489 1.00 0.00 C ATOM 0 H VAL A 711 58.804 -4.500 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 711 61.389 -4.019 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 711 60.907 -3.554 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 711 59.375 -1.704 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 711 58.506 -2.996 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 711 58.938 -1.494 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.765 -1.223 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.348 -1.014 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.610 -2.176 -2.203 1.00 0.00 H new ATOM 431 N ILE A 712 58.781 -2.232 -0.093 1.00 0.00 N ATOM 432 CA ILE A 712 58.295 -1.286 0.905 1.00 0.00 C ATOM 433 C ILE A 712 58.256 -1.938 2.286 1.00 0.00 C ATOM 434 O ILE A 712 58.465 -1.271 3.300 1.00 0.00 O ATOM 435 CB ILE A 712 56.894 -0.796 0.514 1.00 0.00 C ATOM 436 CG1 ILE A 712 57.021 0.269 -0.582 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.191 -0.191 1.736 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.813 0.195 -1.520 1.00 0.00 C ATOM 0 H ILE A 712 58.057 -2.618 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 712 58.976 -0.435 0.944 1.00 0.00 H new ATOM 0 HB ILE A 712 56.307 -1.637 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.084 1.260 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.941 0.115 -1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.197 0.154 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.102 -0.947 2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.774 0.650 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.908 0.954 -2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 712 55.770 -0.792 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.900 0.371 -0.952 1.00 0.00 H new ATOM 450 N ALA A 713 58.113 -3.262 2.308 1.00 0.00 N ATOM 451 CA ALA A 713 58.142 -4.005 3.563 1.00 0.00 C ATOM 452 C ALA A 713 59.458 -3.766 4.295 1.00 0.00 C ATOM 453 O ALA A 713 59.463 -3.189 5.381 1.00 0.00 O ATOM 454 CB ALA A 713 57.970 -5.502 3.293 1.00 0.00 C ATOM 0 H ALA A 713 57.977 -3.837 1.477 1.00 0.00 H new ATOM 0 HA ALA A 713 57.321 -3.655 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.993 -6.047 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.015 -5.675 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.780 -5.852 2.652 1.00 0.00 H new ATOM 460 N THR A 714 60.560 -3.947 3.572 1.00 0.00 N ATOM 461 CA THR A 714 61.887 -3.809 4.167 1.00 0.00 C ATOM 462 C THR A 714 62.115 -2.379 4.642 1.00 0.00 C ATOM 463 O THR A 714 62.598 -2.161 5.752 1.00 0.00 O ATOM 464 CB THR A 714 62.963 -4.185 3.144 1.00 0.00 C ATOM 465 OG1 THR A 714 62.860 -3.333 2.012 1.00 0.00 O ATOM 466 CG2 THR A 714 62.773 -5.640 2.707 1.00 0.00 C ATOM 0 H THR A 714 60.562 -4.188 2.581 1.00 0.00 H new ATOM 0 HA THR A 714 61.950 -4.480 5.024 1.00 0.00 H new ATOM 0 HB THR A 714 63.947 -4.070 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.935 -3.025 1.918 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.540 -5.904 1.979 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.855 -6.294 3.575 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.788 -5.759 2.255 1.00 0.00 H new ATOM 474 N VAL A 715 61.560 -1.428 3.899 1.00 0.00 N ATOM 475 CA VAL A 715 61.702 -0.018 4.241 1.00 0.00 C ATOM 476 C VAL A 715 60.967 0.291 5.542 1.00 0.00 C ATOM 477 O VAL A 715 61.584 0.717 6.519 1.00 0.00 O ATOM 478 CB VAL A 715 61.139 0.849 3.109 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.244 2.330 3.490 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.936 0.592 1.826 1.00 0.00 C ATOM 0 H VAL A 715 61.010 -1.607 3.059 1.00 0.00 H new ATOM 0 HA VAL A 715 62.760 0.205 4.376 1.00 0.00 H new ATOM 0 HB VAL A 715 60.092 0.594 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.843 2.943 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.675 2.512 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.289 2.589 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.537 1.208 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.983 0.845 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.856 -0.460 1.552 1.00 0.00 H new ATOM 490 N ILE A 716 59.722 -0.171 5.622 1.00 0.00 N ATOM 491 CA ILE A 716 58.912 0.041 6.817 1.00 0.00 C ATOM 492 C ILE A 716 59.454 -0.783 7.982 1.00 0.00 C ATOM 493 O ILE A 716 59.602 -0.273 9.093 1.00 0.00 O ATOM 494 CB ILE A 716 57.456 -0.350 6.532 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.807 0.727 5.655 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.684 -0.474 7.851 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.471 0.217 5.111 1.00 0.00 C ATOM 0 H ILE A 716 59.255 -0.691 4.879 1.00 0.00 H new ATOM 0 HA ILE A 716 58.956 1.096 7.088 1.00 0.00 H new ATOM 0 HB ILE A 716 57.432 -1.309 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.650 1.636 6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.471 0.986 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.651 -0.752 7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.147 -1.240 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.704 0.481 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.014 0.986 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.639 -0.680 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.806 -0.019 5.942 1.00 0.00 H new ATOM 509 N VAL A 717 59.931 -1.986 7.671 1.00 0.00 N ATOM 510 CA VAL A 717 60.411 -2.899 8.702 1.00 0.00 C ATOM 511 C VAL A 717 61.718 -2.388 9.298 1.00 0.00 C ATOM 512 O VAL A 717 61.886 -2.364 10.518 1.00 0.00 O ATOM 513 CB VAL A 717 60.628 -4.294 8.102 1.00 0.00 C ATOM 514 CG1 VAL A 717 61.332 -5.192 9.125 1.00 0.00 C ATOM 515 CG2 VAL A 717 59.273 -4.907 7.731 1.00 0.00 C ATOM 0 H VAL A 717 59.995 -2.348 6.720 1.00 0.00 H new ATOM 0 HA VAL A 717 59.663 -2.957 9.492 1.00 0.00 H new ATOM 0 HB VAL A 717 61.247 -4.210 7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.485 -6.182 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 717 62.297 -4.758 9.388 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.716 -5.276 10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.427 -5.898 7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.654 -4.988 8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.774 -4.271 7.000 1.00 0.00 H new ATOM 525 N ILE A 718 62.619 -1.936 8.432 1.00 0.00 N ATOM 526 CA ILE A 718 63.887 -1.375 8.882 1.00 0.00 C ATOM 527 C ILE A 718 63.647 -0.173 9.791 1.00 0.00 C ATOM 528 O ILE A 718 64.247 -0.068 10.861 1.00 0.00 O ATOM 529 CB ILE A 718 64.730 -0.952 7.671 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.314 -2.201 6.998 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.871 -0.034 8.129 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.773 -1.857 5.577 1.00 0.00 C ATOM 0 H ILE A 718 62.495 -1.947 7.420 1.00 0.00 H new ATOM 0 HA ILE A 718 64.424 -2.137 9.446 1.00 0.00 H new ATOM 0 HB ILE A 718 64.101 -0.415 6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.154 -2.580 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.565 -2.992 6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.467 0.264 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.455 0.853 8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.503 -0.566 8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.187 -2.747 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.923 -1.499 4.997 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.536 -1.080 5.619 1.00 0.00 H new ATOM 544 N THR A 719 62.642 0.628 9.446 1.00 0.00 N ATOM 545 CA THR A 719 62.288 1.788 10.255 1.00 0.00 C ATOM 546 C THR A 719 61.711 1.350 11.598 1.00 0.00 C ATOM 547 O THR A 719 62.026 1.932 12.636 1.00 0.00 O ATOM 548 CB THR A 719 61.262 2.649 9.513 1.00 0.00 C ATOM 549 OG1 THR A 719 61.717 2.892 8.191 1.00 0.00 O ATOM 550 CG2 THR A 719 61.086 3.983 10.245 1.00 0.00 C ATOM 0 H THR A 719 62.063 0.495 8.617 1.00 0.00 H new ATOM 0 HA THR A 719 63.191 2.372 10.434 1.00 0.00 H new ATOM 0 HB THR A 719 60.307 2.126 9.479 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.507 2.119 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.355 4.595 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.736 3.797 11.261 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.041 4.507 10.280 1.00 0.00 H new ATOM 558 N LEU A 720 61.013 0.217 11.587 1.00 0.00 N ATOM 559 CA LEU A 720 60.397 -0.304 12.801 1.00 0.00 C ATOM 560 C LEU A 720 61.461 -0.660 13.832 1.00 0.00 C ATOM 561 O LEU A 720 61.298 -0.377 15.018 1.00 0.00 O ATOM 562 CB LEU A 720 59.567 -1.547 12.473 1.00 0.00 C ATOM 563 CG LEU A 720 58.641 -1.872 13.651 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.208 -1.455 13.308 1.00 0.00 C ATOM 565 CD2 LEU A 720 58.683 -3.377 13.937 1.00 0.00 C ATOM 0 H LEU A 720 60.861 -0.354 10.755 1.00 0.00 H new ATOM 0 HA LEU A 720 59.749 0.468 13.216 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.979 -1.377 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 720 60.224 -2.392 12.270 1.00 0.00 H new ATOM 0 HG LEU A 720 58.975 -1.327 14.534 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.551 -1.687 14.146 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.179 -0.384 13.109 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.873 -1.997 12.424 1.00 0.00 H new ATOM 0 HD21 LEU A 720 58.024 -3.607 14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.352 -3.924 13.054 1.00 0.00 H new ATOM 0 HD23 LEU A 720 59.702 -3.672 14.186 1.00 0.00 H new ATOM 577 N VAL A 721 62.625 -1.091 13.347 1.00 0.00 N ATOM 578 CA VAL A 721 63.719 -1.478 14.232 1.00 0.00 C ATOM 579 C VAL A 721 64.117 -0.309 15.133 1.00 0.00 C ATOM 580 O VAL A 721 64.202 -0.460 16.351 1.00 0.00 O ATOM 581 CB VAL A 721 64.932 -1.926 13.407 1.00 0.00 C ATOM 582 CG1 VAL A 721 66.095 -2.264 14.346 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.567 -3.165 12.583 1.00 0.00 C ATOM 0 H VAL A 721 62.833 -1.180 12.352 1.00 0.00 H new ATOM 0 HA VAL A 721 63.381 -2.306 14.855 1.00 0.00 H new ATOM 0 HB VAL A 721 65.228 -1.119 12.736 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.956 -2.582 13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.360 -1.382 14.930 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.798 -3.068 15.019 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.431 -3.480 11.998 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.268 -3.972 13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.742 -2.926 11.912 1.00 0.00 H new ATOM 593 N MET A 722 64.158 0.887 14.550 1.00 0.00 N ATOM 594 CA MET A 722 64.540 2.081 15.296 1.00 0.00 C ATOM 595 C MET A 722 63.385 2.555 16.176 1.00 0.00 C ATOM 596 O MET A 722 63.597 2.951 17.322 1.00 0.00 O ATOM 597 CB MET A 722 64.941 3.197 14.327 1.00 0.00 C ATOM 598 CG MET A 722 66.321 2.894 13.731 1.00 0.00 C ATOM 599 SD MET A 722 66.683 4.091 12.421 1.00 0.00 S ATOM 600 CE MET A 722 68.284 3.411 11.914 1.00 0.00 C ATOM 0 H MET A 722 63.933 1.054 13.569 1.00 0.00 H new ATOM 0 HA MET A 722 65.389 1.833 15.934 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.202 3.283 13.531 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.962 4.154 14.848 1.00 0.00 H new ATOM 0 HG2 MET A 722 67.084 2.945 14.507 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.342 1.881 13.330 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.693 4.010 11.101 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.972 3.430 12.760 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.152 2.383 11.576 1.00 0.00 H new ATOM 610 N LEU A 723 62.161 2.316 15.710 1.00 0.00 N ATOM 611 CA LEU A 723 60.974 2.685 16.476 1.00 0.00 C ATOM 612 C LEU A 723 60.658 1.626 17.534 1.00 0.00 C ATOM 613 O LEU A 723 59.954 1.908 18.505 1.00 0.00 O ATOM 614 CB LEU A 723 59.770 2.845 15.538 1.00 0.00 C ATOM 615 CG LEU A 723 60.039 3.957 14.516 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.907 3.968 13.486 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.093 5.319 15.219 1.00 0.00 C ATOM 0 H LEU A 723 61.966 1.872 14.813 1.00 0.00 H new ATOM 0 HA LEU A 723 61.175 3.632 16.977 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.575 1.905 15.021 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.877 3.081 16.117 1.00 0.00 H new ATOM 0 HG LEU A 723 60.995 3.772 14.025 1.00 0.00 H new ATOM 0 HD11 LEU A 723 59.088 4.755 12.754 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.867 3.004 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.958 4.153 13.990 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.284 6.101 14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.141 5.511 15.713 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.892 5.314 15.960 1.00 0.00 H new