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 -125:sc= 0 (180deg=-0.0262) USER MOD Single : A 714 THR OG1 : rot 26:sc= 0.528 USER MOD Single : A 719 THR OG1 : rot 23:sc= 0.689 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.271 -5.107 -7.059 1.00 0.00 N ATOM 279 CA ALA A 701 44.617 -4.664 -7.405 1.00 0.00 C ATOM 280 C ALA A 701 45.531 -4.716 -6.184 1.00 0.00 C ATOM 281 O ALA A 701 46.673 -5.160 -6.280 1.00 0.00 O ATOM 282 CB ALA A 701 44.573 -3.235 -7.951 1.00 0.00 C ATOM 0 HA ALA A 701 45.013 -5.333 -8.169 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.582 -2.912 -8.207 1.00 0.00 H new ATOM 0 HB2 ALA A 701 43.946 -3.205 -8.842 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.160 -2.569 -7.194 1.00 0.00 H new ATOM 288 N ILE A 702 44.951 -4.462 -5.013 1.00 0.00 N ATOM 289 CA ILE A 702 45.713 -4.461 -3.766 1.00 0.00 C ATOM 290 C ILE A 702 46.443 -5.789 -3.580 1.00 0.00 C ATOM 291 O ILE A 702 47.641 -5.809 -3.292 1.00 0.00 O ATOM 292 CB ILE A 702 44.762 -4.212 -2.583 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.507 -2.704 -2.438 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.370 -4.765 -1.287 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.684 -2.037 -1.716 1.00 0.00 C ATOM 0 H ILE A 702 43.959 -4.255 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 702 46.456 -3.665 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 702 43.818 -4.723 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.372 -2.254 -3.422 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.586 -2.535 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.687 -4.582 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.535 -5.837 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.320 -4.269 -1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 702 45.493 -0.968 -1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.799 -2.477 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.598 -2.191 -2.290 1.00 0.00 H new ATOM 307 N ILE A 703 45.770 -6.878 -3.946 1.00 0.00 N ATOM 308 CA ILE A 703 46.369 -8.206 -3.868 1.00 0.00 C ATOM 309 C ILE A 703 47.613 -8.288 -4.754 1.00 0.00 C ATOM 310 O ILE A 703 48.687 -8.668 -4.288 1.00 0.00 O ATOM 311 CB ILE A 703 45.344 -9.261 -4.307 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.261 -9.397 -3.229 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.039 -10.611 -4.508 1.00 0.00 C ATOM 314 CD1 ILE A 703 42.982 -9.964 -3.850 1.00 0.00 C ATOM 0 H ILE A 703 44.813 -6.866 -4.298 1.00 0.00 H new ATOM 0 HA ILE A 703 46.666 -8.396 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 703 44.888 -8.951 -5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.610 -10.051 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.058 -8.425 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.306 -11.355 -4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 703 46.806 -10.514 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.500 -10.926 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.215 -10.059 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 703 42.629 -9.293 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.189 -10.944 -4.279 1.00 0.00 H new ATOM 326 N GLY A 704 47.503 -7.746 -5.965 1.00 0.00 N ATOM 327 CA GLY A 704 48.601 -7.807 -6.925 1.00 0.00 C ATOM 328 C GLY A 704 49.695 -6.802 -6.572 1.00 0.00 C ATOM 329 O GLY A 704 50.879 -7.140 -6.569 1.00 0.00 O ATOM 0 H GLY A 704 46.670 -7.263 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.019 -8.814 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.224 -7.602 -7.927 1.00 0.00 H new ATOM 333 N LEU A 705 49.276 -5.636 -6.086 1.00 0.00 N ATOM 334 CA LEU A 705 50.218 -4.597 -5.676 1.00 0.00 C ATOM 335 C LEU A 705 51.048 -5.053 -4.483 1.00 0.00 C ATOM 336 O LEU A 705 52.216 -4.684 -4.356 1.00 0.00 O ATOM 337 CB LEU A 705 49.450 -3.324 -5.310 1.00 0.00 C ATOM 338 CG LEU A 705 48.767 -2.767 -6.561 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.770 -1.680 -6.157 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.823 -2.170 -7.495 1.00 0.00 C ATOM 0 H LEU A 705 48.294 -5.387 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 705 50.893 -4.396 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.707 -3.542 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.131 -2.582 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 705 48.239 -3.570 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.283 -1.283 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.018 -2.105 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.297 -0.876 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.338 -1.773 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.351 -1.367 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.533 -2.945 -7.783 1.00 0.00 H new ATOM 352 N MET A 706 50.494 -5.981 -3.707 1.00 0.00 N ATOM 353 CA MET A 706 51.169 -6.476 -2.512 1.00 0.00 C ATOM 354 C MET A 706 52.458 -7.207 -2.883 1.00 0.00 C ATOM 355 O MET A 706 53.436 -7.177 -2.134 1.00 0.00 O ATOM 356 CB MET A 706 50.242 -7.427 -1.752 1.00 0.00 C ATOM 357 CG MET A 706 50.827 -7.723 -0.367 1.00 0.00 C ATOM 358 SD MET A 706 51.049 -9.509 -0.179 1.00 0.00 S ATOM 359 CE MET A 706 49.302 -9.935 0.029 1.00 0.00 C ATOM 0 H MET A 706 49.583 -6.404 -3.884 1.00 0.00 H new ATOM 0 HA MET A 706 51.420 -5.625 -1.879 1.00 0.00 H new ATOM 0 HB2 MET A 706 49.252 -6.982 -1.652 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.119 -8.355 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.782 -7.212 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.162 -7.344 0.409 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.171 -10.492 0.957 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.707 -9.023 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 706 48.974 -10.547 -0.811 1.00 0.00 H new ATOM 369 N VAL A 707 52.477 -7.790 -4.079 1.00 0.00 N ATOM 370 CA VAL A 707 53.668 -8.480 -4.568 1.00 0.00 C ATOM 371 C VAL A 707 54.844 -7.509 -4.667 1.00 0.00 C ATOM 372 O VAL A 707 55.924 -7.778 -4.137 1.00 0.00 O ATOM 373 CB VAL A 707 53.389 -9.091 -5.945 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.660 -9.765 -6.475 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.267 -10.130 -5.831 1.00 0.00 C ATOM 0 H VAL A 707 51.687 -7.799 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 707 53.923 -9.273 -3.865 1.00 0.00 H new ATOM 0 HB VAL A 707 53.083 -8.303 -6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.460 -10.199 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.455 -9.025 -6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.969 -10.551 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.071 -10.563 -6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.569 -10.918 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.362 -9.649 -5.459 1.00 0.00 H new ATOM 385 N GLY A 708 54.566 -6.312 -5.178 1.00 0.00 N ATOM 386 CA GLY A 708 55.593 -5.281 -5.294 1.00 0.00 C ATOM 387 C GLY A 708 55.829 -4.588 -3.955 1.00 0.00 C ATOM 388 O GLY A 708 56.775 -3.814 -3.808 1.00 0.00 O ATOM 0 H GLY A 708 53.645 -6.034 -5.516 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.523 -5.728 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.292 -4.545 -6.040 1.00 0.00 H new ATOM 392 N GLY A 709 55.043 -4.971 -2.949 1.00 0.00 N ATOM 393 CA GLY A 709 55.151 -4.361 -1.627 1.00 0.00 C ATOM 394 C GLY A 709 56.222 -5.054 -0.789 1.00 0.00 C ATOM 395 O GLY A 709 56.223 -4.951 0.438 1.00 0.00 O ATOM 0 H GLY A 709 54.330 -5.696 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.393 -3.303 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.190 -4.420 -1.116 1.00 0.00 H new ATOM 399 N VAL A 710 57.182 -5.682 -1.466 1.00 0.00 N ATOM 400 CA VAL A 710 58.274 -6.367 -0.780 1.00 0.00 C ATOM 401 C VAL A 710 59.415 -5.395 -0.481 1.00 0.00 C ATOM 402 O VAL A 710 60.008 -5.436 0.598 1.00 0.00 O ATOM 403 CB VAL A 710 58.787 -7.528 -1.646 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.398 -6.981 -2.941 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.847 -8.323 -0.872 1.00 0.00 C ATOM 0 H VAL A 710 57.225 -5.730 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 710 57.899 -6.761 0.165 1.00 0.00 H new ATOM 0 HB VAL A 710 57.953 -8.184 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.760 -7.809 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.640 -6.427 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.229 -6.318 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 710 60.208 -9.145 -1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 710 60.680 -7.667 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.407 -8.722 0.042 1.00 0.00 H new ATOM 415 N VAL A 711 59.623 -4.440 -1.384 1.00 0.00 N ATOM 416 CA VAL A 711 60.698 -3.466 -1.223 1.00 0.00 C ATOM 417 C VAL A 711 60.314 -2.414 -0.187 1.00 0.00 C ATOM 418 O VAL A 711 61.131 -2.027 0.650 1.00 0.00 O ATOM 419 CB VAL A 711 60.993 -2.782 -2.564 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.240 -1.903 -2.428 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.232 -3.844 -3.642 1.00 0.00 C ATOM 0 H VAL A 711 59.065 -4.320 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 711 61.590 -3.991 -0.881 1.00 0.00 H new ATOM 0 HB VAL A 711 60.142 -2.163 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.449 -1.418 -3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.069 -1.144 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.091 -2.521 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.441 -3.356 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.081 -4.466 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.344 -4.467 -3.742 1.00 0.00 H new ATOM 431 N ILE A 712 59.065 -1.960 -0.247 1.00 0.00 N ATOM 432 CA ILE A 712 58.561 -0.993 0.724 1.00 0.00 C ATOM 433 C ILE A 712 58.387 -1.648 2.094 1.00 0.00 C ATOM 434 O ILE A 712 58.553 -0.997 3.126 1.00 0.00 O ATOM 435 CB ILE A 712 57.221 -0.423 0.240 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.844 0.804 1.083 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.128 -1.491 0.370 1.00 0.00 C ATOM 438 CD1 ILE A 712 57.072 2.077 0.264 1.00 0.00 C ATOM 0 H ILE A 712 58.386 -2.244 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 712 59.284 -0.183 0.819 1.00 0.00 H new ATOM 0 HB ILE A 712 57.314 -0.127 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 712 55.801 0.740 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.444 0.832 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.178 -1.083 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.392 -2.357 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.036 -1.793 1.413 1.00 0.00 H new ATOM 0 HD11 ILE A 712 56.804 2.948 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 712 58.122 2.142 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 712 56.453 2.049 -0.632 1.00 0.00 H new ATOM 450 N ALA A 713 58.177 -2.964 2.094 1.00 0.00 N ATOM 451 CA ALA A 713 58.007 -3.704 3.341 1.00 0.00 C ATOM 452 C ALA A 713 59.267 -3.607 4.194 1.00 0.00 C ATOM 453 O ALA A 713 59.236 -3.020 5.275 1.00 0.00 O ATOM 454 CB ALA A 713 57.699 -5.174 3.042 1.00 0.00 C ATOM 0 H ALA A 713 58.121 -3.535 1.251 1.00 0.00 H new ATOM 0 HA ALA A 713 57.174 -3.267 3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.574 -5.717 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.781 -5.242 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.522 -5.610 2.476 1.00 0.00 H new ATOM 460 N THR A 714 60.406 -3.922 3.581 1.00 0.00 N ATOM 461 CA THR A 714 61.684 -3.879 4.286 1.00 0.00 C ATOM 462 C THR A 714 61.979 -2.467 4.782 1.00 0.00 C ATOM 463 O THR A 714 62.412 -2.284 5.919 1.00 0.00 O ATOM 464 CB THR A 714 62.811 -4.338 3.355 1.00 0.00 C ATOM 465 OG1 THR A 714 62.578 -3.841 2.045 1.00 0.00 O ATOM 466 CG2 THR A 714 62.856 -5.868 3.320 1.00 0.00 C ATOM 0 H THR A 714 60.470 -4.208 2.604 1.00 0.00 H new ATOM 0 HA THR A 714 61.624 -4.548 5.144 1.00 0.00 H new ATOM 0 HB THR A 714 63.763 -3.955 3.724 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.031 -3.029 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.658 -6.193 2.657 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.038 -6.250 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.904 -6.252 2.953 1.00 0.00 H new ATOM 474 N VAL A 715 61.544 -1.477 4.008 1.00 0.00 N ATOM 475 CA VAL A 715 61.766 -0.081 4.368 1.00 0.00 C ATOM 476 C VAL A 715 60.949 0.287 5.604 1.00 0.00 C ATOM 477 O VAL A 715 61.506 0.720 6.615 1.00 0.00 O ATOM 478 CB VAL A 715 61.370 0.827 3.196 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.594 2.294 3.581 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.223 0.484 1.968 1.00 0.00 C ATOM 0 H VAL A 715 61.039 -1.614 3.133 1.00 0.00 H new ATOM 0 HA VAL A 715 62.823 0.058 4.593 1.00 0.00 H new ATOM 0 HB VAL A 715 60.317 0.672 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.312 2.936 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.984 2.539 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.646 2.451 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.940 1.130 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.277 0.635 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.059 -0.557 1.690 1.00 0.00 H new ATOM 490 N ILE A 716 59.678 -0.106 5.595 1.00 0.00 N ATOM 491 CA ILE A 716 58.782 0.189 6.709 1.00 0.00 C ATOM 492 C ILE A 716 59.110 -0.697 7.910 1.00 0.00 C ATOM 493 O ILE A 716 58.920 -0.295 9.059 1.00 0.00 O ATOM 494 CB ILE A 716 57.327 -0.037 6.279 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.935 1.012 5.230 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.402 0.086 7.496 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.654 0.572 4.514 1.00 0.00 C ATOM 0 H ILE A 716 59.247 -0.627 4.832 1.00 0.00 H new ATOM 0 HA ILE A 716 58.917 1.231 6.998 1.00 0.00 H new ATOM 0 HB ILE A 716 57.229 -1.035 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.782 1.979 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.742 1.138 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.370 -0.075 7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.678 -0.661 8.240 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.500 1.082 7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.378 1.319 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.823 -0.386 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.848 0.469 5.241 1.00 0.00 H new ATOM 509 N VAL A 717 59.590 -1.907 7.634 1.00 0.00 N ATOM 510 CA VAL A 717 59.910 -2.856 8.697 1.00 0.00 C ATOM 511 C VAL A 717 61.196 -2.445 9.407 1.00 0.00 C ATOM 512 O VAL A 717 61.227 -2.341 10.634 1.00 0.00 O ATOM 513 CB VAL A 717 60.066 -4.264 8.108 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.634 -5.211 9.173 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.700 -4.781 7.644 1.00 0.00 C ATOM 0 H VAL A 717 59.765 -2.252 6.690 1.00 0.00 H new ATOM 0 HA VAL A 717 59.096 -2.858 9.422 1.00 0.00 H new ATOM 0 HB VAL A 717 60.748 -4.224 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.743 -6.210 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.608 -4.847 9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.955 -5.250 10.025 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.812 -5.781 7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.017 -4.817 8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.297 -4.113 6.883 1.00 0.00 H new ATOM 525 N ILE A 718 62.189 -2.036 8.621 1.00 0.00 N ATOM 526 CA ILE A 718 63.470 -1.608 9.174 1.00 0.00 C ATOM 527 C ILE A 718 63.284 -0.388 10.075 1.00 0.00 C ATOM 528 O ILE A 718 63.817 -0.344 11.185 1.00 0.00 O ATOM 529 CB ILE A 718 64.444 -1.274 8.035 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.990 -2.575 7.433 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.607 -0.432 8.571 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.621 -2.289 6.067 1.00 0.00 C ATOM 0 H ILE A 718 62.131 -1.992 7.604 1.00 0.00 H new ATOM 0 HA ILE A 718 63.881 -2.422 9.772 1.00 0.00 H new ATOM 0 HB ILE A 718 63.917 -0.707 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.731 -3.013 8.102 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.186 -3.303 7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.293 -0.199 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.220 0.494 8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.136 -0.991 9.343 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.007 -3.216 5.643 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.868 -1.871 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.437 -1.576 6.185 1.00 0.00 H new ATOM 544 N THR A 719 62.383 0.503 9.671 1.00 0.00 N ATOM 545 CA THR A 719 62.106 1.706 10.451 1.00 0.00 C ATOM 546 C THR A 719 61.332 1.357 11.720 1.00 0.00 C ATOM 547 O THR A 719 61.541 1.968 12.768 1.00 0.00 O ATOM 548 CB THR A 719 61.294 2.701 9.615 1.00 0.00 C ATOM 549 OG1 THR A 719 60.255 2.013 8.934 1.00 0.00 O ATOM 550 CG2 THR A 719 62.210 3.380 8.593 1.00 0.00 C ATOM 0 H THR A 719 61.836 0.416 8.815 1.00 0.00 H new ATOM 0 HA THR A 719 63.057 2.159 10.730 1.00 0.00 H new ATOM 0 HB THR A 719 60.861 3.455 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.055 1.176 9.403 1.00 0.00 H new ATOM 0 HG21 THR A 719 61.631 4.087 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 719 63.007 3.911 9.114 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.645 2.626 7.937 1.00 0.00 H new ATOM 558 N LEU A 720 60.522 0.304 11.645 1.00 0.00 N ATOM 559 CA LEU A 720 59.766 -0.152 12.808 1.00 0.00 C ATOM 560 C LEU A 720 60.711 -0.652 13.897 1.00 0.00 C ATOM 561 O LEU A 720 60.511 -0.368 15.079 1.00 0.00 O ATOM 562 CB LEU A 720 58.807 -1.279 12.404 1.00 0.00 C ATOM 563 CG LEU A 720 57.366 -0.888 12.753 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.406 -1.966 12.239 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.215 -0.753 14.275 1.00 0.00 C ATOM 0 H LEU A 720 60.373 -0.245 10.799 1.00 0.00 H new ATOM 0 HA LEU A 720 59.192 0.689 13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.891 -1.474 11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.078 -2.201 12.919 1.00 0.00 H new ATOM 0 HG LEU A 720 57.130 0.067 12.283 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.381 -1.689 12.487 1.00 0.00 H new ATOM 0 HD12 LEU A 720 56.506 -2.057 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.647 -2.921 12.707 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.189 -0.475 14.516 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.454 -1.704 14.750 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.895 0.016 14.641 1.00 0.00 H new ATOM 577 N VAL A 721 61.802 -1.296 13.480 1.00 0.00 N ATOM 578 CA VAL A 721 62.795 -1.800 14.425 1.00 0.00 C ATOM 579 C VAL A 721 63.387 -0.653 15.242 1.00 0.00 C ATOM 580 O VAL A 721 63.525 -0.762 16.461 1.00 0.00 O ATOM 581 CB VAL A 721 63.919 -2.528 13.672 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.889 -3.157 14.680 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.320 -3.626 12.785 1.00 0.00 C ATOM 0 H VAL A 721 62.018 -1.479 12.500 1.00 0.00 H new ATOM 0 HA VAL A 721 62.302 -2.498 15.101 1.00 0.00 H new ATOM 0 HB VAL A 721 64.456 -1.813 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.686 -3.673 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.320 -2.376 15.307 1.00 0.00 H new ATOM 0 HG13 VAL A 721 64.352 -3.869 15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.120 -4.140 12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.779 -4.341 13.406 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.634 -3.179 12.065 1.00 0.00 H new ATOM 593 N MET A 722 63.512 0.509 14.604 1.00 0.00 N ATOM 594 CA MET A 722 64.083 1.678 15.266 1.00 0.00 C ATOM 595 C MET A 722 63.102 2.252 16.282 1.00 0.00 C ATOM 596 O MET A 722 63.493 2.621 17.389 1.00 0.00 O ATOM 597 CB MET A 722 64.430 2.747 14.226 1.00 0.00 C ATOM 598 CG MET A 722 65.516 2.215 13.288 1.00 0.00 C ATOM 599 SD MET A 722 67.131 2.352 14.096 1.00 0.00 S ATOM 600 CE MET A 722 68.136 1.759 12.712 1.00 0.00 C ATOM 0 H MET A 722 63.228 0.665 13.637 1.00 0.00 H new ATOM 0 HA MET A 722 64.989 1.371 15.789 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.541 3.016 13.655 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.776 3.654 14.723 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.313 1.175 13.031 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.515 2.779 12.356 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.188 1.762 12.998 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.834 0.745 12.451 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.992 2.413 11.852 1.00 0.00 H new ATOM 610 N LEU A 723 61.815 2.134 15.971 1.00 0.00 N ATOM 611 CA LEU A 723 60.770 2.567 16.894 1.00 0.00 C ATOM 612 C LEU A 723 60.603 1.565 18.028 1.00 0.00 C ATOM 613 O LEU A 723 60.290 1.948 19.156 1.00 0.00 O ATOM 614 CB LEU A 723 59.444 2.716 16.145 1.00 0.00 C ATOM 615 CG LEU A 723 59.586 3.790 15.064 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.309 3.836 14.222 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.813 5.154 15.725 1.00 0.00 C ATOM 0 H LEU A 723 61.471 1.745 15.093 1.00 0.00 H new ATOM 0 HA LEU A 723 61.062 3.528 17.317 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.161 1.765 15.693 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.650 2.988 16.840 1.00 0.00 H new ATOM 0 HG LEU A 723 60.435 3.552 14.424 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.409 4.601 13.452 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.148 2.866 13.752 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.460 4.074 14.862 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.914 5.919 14.955 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.964 5.394 16.365 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.722 5.121 16.325 1.00 0.00 H new