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= 0.0254 USER MOD Single : A 719 THR OG1 : rot 80:sc= 0.298 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.677 -5.035 -5.825 1.00 0.00 N ATOM 279 CA ALA A 701 45.043 -4.796 -6.277 1.00 0.00 C ATOM 280 C ALA A 701 46.052 -5.221 -5.213 1.00 0.00 C ATOM 281 O ALA A 701 47.180 -5.590 -5.535 1.00 0.00 O ATOM 282 CB ALA A 701 45.231 -3.312 -6.593 1.00 0.00 C ATOM 0 HA ALA A 701 45.214 -5.389 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.253 -3.138 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.535 -3.016 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.040 -2.722 -5.697 1.00 0.00 H new ATOM 288 N ILE A 702 45.643 -5.152 -3.947 1.00 0.00 N ATOM 289 CA ILE A 702 46.560 -5.408 -2.835 1.00 0.00 C ATOM 290 C ILE A 702 47.253 -6.759 -3.004 1.00 0.00 C ATOM 291 O ILE A 702 48.440 -6.892 -2.706 1.00 0.00 O ATOM 292 CB ILE A 702 45.796 -5.381 -1.503 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.651 -6.407 -1.533 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.222 -3.978 -1.272 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.048 -7.653 -0.734 1.00 0.00 C ATOM 0 H ILE A 702 44.690 -4.923 -3.666 1.00 0.00 H new ATOM 0 HA ILE A 702 47.318 -4.625 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 702 46.480 -5.634 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.746 -5.968 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.424 -6.682 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.680 -3.958 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.035 -3.253 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.543 -3.724 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.233 -8.376 -0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.941 -8.098 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.253 -7.373 0.299 1.00 0.00 H new ATOM 307 N ILE A 703 46.580 -7.665 -3.711 1.00 0.00 N ATOM 308 CA ILE A 703 47.143 -8.979 -4.003 1.00 0.00 C ATOM 309 C ILE A 703 48.312 -8.857 -4.978 1.00 0.00 C ATOM 310 O ILE A 703 49.423 -9.301 -4.681 1.00 0.00 O ATOM 311 CB ILE A 703 46.054 -9.876 -4.607 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.916 -10.050 -3.592 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.649 -11.247 -4.952 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.667 -10.584 -4.301 1.00 0.00 C ATOM 0 H ILE A 703 45.646 -7.512 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 703 47.510 -9.420 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 703 45.665 -9.414 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.221 -10.739 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.694 -9.096 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.874 -11.882 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.456 -11.122 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.040 -11.712 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.862 -10.706 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.357 -9.879 -5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.892 -11.547 -4.759 1.00 0.00 H new ATOM 326 N GLY A 704 48.108 -8.081 -6.039 1.00 0.00 N ATOM 327 CA GLY A 704 49.116 -7.946 -7.087 1.00 0.00 C ATOM 328 C GLY A 704 50.198 -6.950 -6.678 1.00 0.00 C ATOM 329 O GLY A 704 51.384 -7.178 -6.920 1.00 0.00 O ATOM 0 H GLY A 704 47.259 -7.539 -6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.568 -8.917 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.643 -7.616 -8.012 1.00 0.00 H new ATOM 333 N LEU A 705 49.798 -5.939 -5.908 1.00 0.00 N ATOM 334 CA LEU A 705 50.743 -4.950 -5.395 1.00 0.00 C ATOM 335 C LEU A 705 51.684 -5.571 -4.369 1.00 0.00 C ATOM 336 O LEU A 705 52.841 -5.166 -4.258 1.00 0.00 O ATOM 337 CB LEU A 705 49.980 -3.789 -4.752 1.00 0.00 C ATOM 338 CG LEU A 705 49.205 -3.038 -5.835 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.211 -2.079 -5.178 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.182 -2.244 -6.704 1.00 0.00 C ATOM 0 H LEU A 705 48.830 -5.784 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 705 51.338 -4.583 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.295 -4.165 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.674 -3.115 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 705 48.664 -3.752 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.658 -1.543 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.515 -2.645 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.751 -1.365 -4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.630 -1.709 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.723 -1.530 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.890 -2.927 -7.172 1.00 0.00 H new ATOM 352 N MET A 706 51.230 -6.647 -3.730 1.00 0.00 N ATOM 353 CA MET A 706 52.034 -7.325 -2.716 1.00 0.00 C ATOM 354 C MET A 706 53.306 -7.904 -3.333 1.00 0.00 C ATOM 355 O MET A 706 54.362 -7.913 -2.700 1.00 0.00 O ATOM 356 CB MET A 706 51.221 -8.451 -2.069 1.00 0.00 C ATOM 357 CG MET A 706 51.135 -8.219 -0.560 1.00 0.00 C ATOM 358 SD MET A 706 50.147 -9.534 0.197 1.00 0.00 S ATOM 359 CE MET A 706 49.740 -8.658 1.728 1.00 0.00 C ATOM 0 H MET A 706 50.315 -7.066 -3.895 1.00 0.00 H new ATOM 0 HA MET A 706 52.313 -6.595 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.220 -8.485 -2.500 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.688 -9.414 -2.273 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.135 -8.205 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.685 -7.248 -0.356 1.00 0.00 H new ATOM 0 HE1 MET A 706 49.122 -9.297 2.359 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.659 -8.404 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.194 -7.745 1.491 1.00 0.00 H new ATOM 369 N VAL A 707 53.216 -8.289 -4.604 1.00 0.00 N ATOM 370 CA VAL A 707 54.372 -8.822 -5.318 1.00 0.00 C ATOM 371 C VAL A 707 55.491 -7.784 -5.377 1.00 0.00 C ATOM 372 O VAL A 707 56.622 -8.063 -4.975 1.00 0.00 O ATOM 373 CB VAL A 707 53.967 -9.228 -6.740 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.199 -9.736 -7.497 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.914 -10.340 -6.679 1.00 0.00 C ATOM 0 H VAL A 707 52.360 -8.242 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 707 54.736 -9.699 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 707 53.551 -8.363 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.911 -10.025 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.948 -8.946 -7.545 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.615 -10.599 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.628 -10.626 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 707 53.328 -11.205 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 707 52.036 -9.981 -6.142 1.00 0.00 H new ATOM 385 N GLY A 708 55.121 -6.545 -5.691 1.00 0.00 N ATOM 386 CA GLY A 708 56.086 -5.449 -5.726 1.00 0.00 C ATOM 387 C GLY A 708 56.161 -4.742 -4.375 1.00 0.00 C ATOM 388 O GLY A 708 56.939 -3.801 -4.202 1.00 0.00 O ATOM 0 H GLY A 708 54.165 -6.275 -5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 708 57.070 -5.834 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.802 -4.735 -6.499 1.00 0.00 H new ATOM 392 N GLY A 709 55.412 -5.253 -3.400 1.00 0.00 N ATOM 393 CA GLY A 709 55.364 -4.641 -2.076 1.00 0.00 C ATOM 394 C GLY A 709 56.451 -5.211 -1.170 1.00 0.00 C ATOM 395 O GLY A 709 56.377 -5.090 0.054 1.00 0.00 O ATOM 0 H GLY A 709 54.832 -6.086 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.489 -3.562 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.385 -4.812 -1.628 1.00 0.00 H new ATOM 399 N VAL A 710 57.498 -5.760 -1.782 1.00 0.00 N ATOM 400 CA VAL A 710 58.603 -6.347 -1.026 1.00 0.00 C ATOM 401 C VAL A 710 59.636 -5.281 -0.670 1.00 0.00 C ATOM 402 O VAL A 710 60.204 -5.296 0.423 1.00 0.00 O ATOM 403 CB VAL A 710 59.272 -7.460 -1.843 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.414 -8.729 -1.780 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.424 -7.016 -3.303 1.00 0.00 C ATOM 0 H VAL A 710 57.605 -5.811 -2.795 1.00 0.00 H new ATOM 0 HA VAL A 710 58.201 -6.769 -0.105 1.00 0.00 H new ATOM 0 HB VAL A 710 60.258 -7.666 -1.427 1.00 0.00 H new ATOM 0 HG11 VAL A 710 58.890 -9.519 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.315 -9.050 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.426 -8.521 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.900 -7.811 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.441 -6.803 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.040 -6.118 -3.348 1.00 0.00 H new ATOM 415 N VAL A 711 59.839 -4.331 -1.580 1.00 0.00 N ATOM 416 CA VAL A 711 60.808 -3.261 -1.356 1.00 0.00 C ATOM 417 C VAL A 711 60.318 -2.319 -0.260 1.00 0.00 C ATOM 418 O VAL A 711 60.996 -2.135 0.752 1.00 0.00 O ATOM 419 CB VAL A 711 61.048 -2.468 -2.651 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.183 -3.119 -3.446 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.772 -2.449 -3.502 1.00 0.00 C ATOM 0 H VAL A 711 59.349 -4.280 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 711 61.747 -3.715 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 711 61.320 -1.444 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.353 -2.557 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 711 63.093 -3.119 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.912 -4.145 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.953 -1.885 -4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.489 -3.470 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.966 -1.978 -2.939 1.00 0.00 H new ATOM 431 N ILE A 712 59.043 -1.948 -0.347 1.00 0.00 N ATOM 432 CA ILE A 712 58.452 -1.032 0.625 1.00 0.00 C ATOM 433 C ILE A 712 58.298 -1.714 1.981 1.00 0.00 C ATOM 434 O ILE A 712 58.412 -1.069 3.024 1.00 0.00 O ATOM 435 CB ILE A 712 57.082 -0.554 0.129 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.129 -1.751 0.007 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.238 0.117 -1.242 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.755 -1.272 -0.467 1.00 0.00 C ATOM 0 H ILE A 712 58.403 -2.265 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 712 59.115 -0.174 0.738 1.00 0.00 H new ATOM 0 HB ILE A 712 56.672 0.163 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.533 -2.479 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.037 -2.254 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.264 0.456 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.910 0.971 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.651 -0.599 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 712 54.082 -2.125 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.350 -0.560 0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.854 -0.789 -1.439 1.00 0.00 H new ATOM 450 N ALA A 713 58.171 -3.040 1.957 1.00 0.00 N ATOM 451 CA ALA A 713 58.080 -3.815 3.190 1.00 0.00 C ATOM 452 C ALA A 713 59.344 -3.638 4.026 1.00 0.00 C ATOM 453 O ALA A 713 59.286 -3.062 5.112 1.00 0.00 O ATOM 454 CB ALA A 713 57.880 -5.298 2.859 1.00 0.00 C ATOM 0 H ALA A 713 58.129 -3.596 1.103 1.00 0.00 H new ATOM 0 HA ALA A 713 57.227 -3.455 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.813 -5.871 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.960 -5.422 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.724 -5.657 2.270 1.00 0.00 H new ATOM 460 N THR A 714 60.490 -3.829 3.378 1.00 0.00 N ATOM 461 CA THR A 714 61.777 -3.726 4.062 1.00 0.00 C ATOM 462 C THR A 714 61.978 -2.318 4.618 1.00 0.00 C ATOM 463 O THR A 714 62.350 -2.154 5.781 1.00 0.00 O ATOM 464 CB THR A 714 62.910 -4.057 3.085 1.00 0.00 C ATOM 465 OG1 THR A 714 62.520 -5.143 2.258 1.00 0.00 O ATOM 466 CG2 THR A 714 64.170 -4.438 3.867 1.00 0.00 C ATOM 0 H THR A 714 60.555 -4.055 2.385 1.00 0.00 H new ATOM 0 HA THR A 714 61.788 -4.435 4.890 1.00 0.00 H new ATOM 0 HB THR A 714 63.119 -3.184 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.244 -5.354 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.974 -4.673 3.169 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.471 -3.604 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 714 63.963 -5.309 4.489 1.00 0.00 H new ATOM 474 N VAL A 715 61.500 -1.329 3.867 1.00 0.00 N ATOM 475 CA VAL A 715 61.632 0.067 4.270 1.00 0.00 C ATOM 476 C VAL A 715 60.807 0.340 5.524 1.00 0.00 C ATOM 477 O VAL A 715 61.354 0.722 6.561 1.00 0.00 O ATOM 478 CB VAL A 715 61.157 0.978 3.131 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.258 2.445 3.564 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.028 0.749 1.891 1.00 0.00 C ATOM 0 H VAL A 715 61.019 -1.469 2.978 1.00 0.00 H new ATOM 0 HA VAL A 715 62.680 0.272 4.489 1.00 0.00 H new ATOM 0 HB VAL A 715 60.119 0.743 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.920 3.088 2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.633 2.609 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.294 2.682 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.689 1.397 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.067 0.979 2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.949 -0.292 1.578 1.00 0.00 H new ATOM 490 N ILE A 716 59.552 -0.098 5.490 1.00 0.00 N ATOM 491 CA ILE A 716 58.648 0.092 6.619 1.00 0.00 C ATOM 492 C ILE A 716 59.098 -0.751 7.809 1.00 0.00 C ATOM 493 O ILE A 716 59.182 -0.251 8.931 1.00 0.00 O ATOM 494 CB ILE A 716 57.223 -0.304 6.210 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.681 0.710 5.195 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.317 -0.324 7.448 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.615 0.044 4.320 1.00 0.00 C ATOM 0 H ILE A 716 59.139 -0.586 4.695 1.00 0.00 H new ATOM 0 HA ILE A 716 58.664 1.142 6.910 1.00 0.00 H new ATOM 0 HB ILE A 716 57.240 -1.296 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.255 1.568 5.715 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.493 1.086 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.306 -0.606 7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.700 -1.047 8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.300 0.667 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.232 0.767 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.056 -0.799 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.798 -0.310 4.948 1.00 0.00 H new ATOM 509 N VAL A 717 59.574 -1.959 7.518 1.00 0.00 N ATOM 510 CA VAL A 717 59.961 -2.896 8.568 1.00 0.00 C ATOM 511 C VAL A 717 61.185 -2.378 9.317 1.00 0.00 C ATOM 512 O VAL A 717 61.167 -2.260 10.542 1.00 0.00 O ATOM 513 CB VAL A 717 60.271 -4.268 7.956 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.909 -5.174 9.016 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.976 -4.913 7.450 1.00 0.00 C ATOM 0 H VAL A 717 59.700 -2.310 6.569 1.00 0.00 H new ATOM 0 HA VAL A 717 59.133 -2.994 9.271 1.00 0.00 H new ATOM 0 HB VAL A 717 60.962 -4.140 7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 717 61.128 -6.148 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.834 -4.721 9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.220 -5.298 9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 717 59.200 -5.887 7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.282 -5.037 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.523 -4.274 6.692 1.00 0.00 H new ATOM 525 N ILE A 718 62.187 -1.940 8.557 1.00 0.00 N ATOM 526 CA ILE A 718 63.402 -1.385 9.147 1.00 0.00 C ATOM 527 C ILE A 718 63.064 -0.212 10.065 1.00 0.00 C ATOM 528 O ILE A 718 63.488 -0.183 11.221 1.00 0.00 O ATOM 529 CB ILE A 718 64.349 -0.918 8.030 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.032 -2.137 7.400 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.413 0.023 8.608 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.698 -1.733 6.081 1.00 0.00 C ATOM 0 H ILE A 718 62.181 -1.959 7.537 1.00 0.00 H new ATOM 0 HA ILE A 718 63.891 -2.158 9.739 1.00 0.00 H new ATOM 0 HB ILE A 718 63.775 -0.386 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.777 -2.543 8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.300 -2.925 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.081 0.350 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.927 0.891 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.988 -0.503 9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.182 -2.603 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.943 -1.348 5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.443 -0.960 6.271 1.00 0.00 H new ATOM 544 N THR A 719 62.147 0.636 9.611 1.00 0.00 N ATOM 545 CA THR A 719 61.710 1.778 10.407 1.00 0.00 C ATOM 546 C THR A 719 60.948 1.308 11.644 1.00 0.00 C ATOM 547 O THR A 719 61.205 1.778 12.752 1.00 0.00 O ATOM 548 CB THR A 719 60.810 2.686 9.562 1.00 0.00 C ATOM 549 OG1 THR A 719 61.535 3.146 8.431 1.00 0.00 O ATOM 550 CG2 THR A 719 60.353 3.885 10.398 1.00 0.00 C ATOM 0 H THR A 719 61.694 0.555 8.701 1.00 0.00 H new ATOM 0 HA THR A 719 62.590 2.335 10.728 1.00 0.00 H new ATOM 0 HB THR A 719 59.936 2.124 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.552 2.445 7.746 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.713 4.528 9.793 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.796 3.532 11.266 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.224 4.450 10.731 1.00 0.00 H new ATOM 558 N LEU A 720 60.167 0.245 11.472 1.00 0.00 N ATOM 559 CA LEU A 720 59.366 -0.294 12.566 1.00 0.00 C ATOM 560 C LEU A 720 60.263 -0.901 13.642 1.00 0.00 C ATOM 561 O LEU A 720 59.854 -1.034 14.796 1.00 0.00 O ATOM 562 CB LEU A 720 58.410 -1.368 12.029 1.00 0.00 C ATOM 563 CG LEU A 720 56.957 -0.902 12.191 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.696 0.309 11.286 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.009 -2.046 11.809 1.00 0.00 C ATOM 0 H LEU A 720 60.072 -0.258 10.590 1.00 0.00 H new ATOM 0 HA LEU A 720 58.791 0.520 13.008 1.00 0.00 H new ATOM 0 HB2 LEU A 720 58.623 -1.564 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.563 -2.304 12.566 1.00 0.00 H new ATOM 0 HG LEU A 720 56.783 -0.616 13.228 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.663 0.636 11.405 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.368 1.121 11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.871 0.031 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 720 54.976 -1.716 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.185 -2.334 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 720 56.191 -2.902 12.459 1.00 0.00 H new ATOM 577 N VAL A 721 61.419 -1.411 13.222 1.00 0.00 N ATOM 578 CA VAL A 721 62.395 -1.948 14.166 1.00 0.00 C ATOM 579 C VAL A 721 62.974 -0.826 15.025 1.00 0.00 C ATOM 580 O VAL A 721 62.934 -0.899 16.255 1.00 0.00 O ATOM 581 CB VAL A 721 63.527 -2.658 13.413 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.451 -3.354 14.418 1.00 0.00 C ATOM 583 CG2 VAL A 721 62.934 -3.702 12.459 1.00 0.00 C ATOM 0 H VAL A 721 61.701 -1.463 12.243 1.00 0.00 H new ATOM 0 HA VAL A 721 61.891 -2.667 14.812 1.00 0.00 H new ATOM 0 HB VAL A 721 64.096 -1.925 12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.256 -3.859 13.883 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.875 -2.613 15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.881 -4.086 14.990 1.00 0.00 H new ATOM 0 HG21 VAL A 721 63.740 -4.206 11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 721 62.364 -4.435 13.030 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.277 -3.209 11.743 1.00 0.00 H new ATOM 593 N MET A 722 63.239 0.305 14.379 1.00 0.00 N ATOM 594 CA MET A 722 63.812 1.459 15.063 1.00 0.00 C ATOM 595 C MET A 722 62.768 2.149 15.933 1.00 0.00 C ATOM 596 O MET A 722 63.102 2.755 16.952 1.00 0.00 O ATOM 597 CB MET A 722 64.352 2.452 14.033 1.00 0.00 C ATOM 598 CG MET A 722 65.478 1.790 13.237 1.00 0.00 C ATOM 599 SD MET A 722 65.648 2.614 11.635 1.00 0.00 S ATOM 600 CE MET A 722 66.996 3.732 12.090 1.00 0.00 C ATOM 0 H MET A 722 63.066 0.447 13.384 1.00 0.00 H new ATOM 0 HA MET A 722 64.623 1.111 15.703 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.553 2.768 13.362 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.722 3.347 14.533 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.415 1.852 13.791 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.262 0.731 13.093 1.00 0.00 H new ATOM 0 HE1 MET A 722 67.265 4.346 11.231 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.675 4.375 12.909 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.862 3.149 12.405 1.00 0.00 H new ATOM 610 N LEU A 723 61.499 1.974 15.574 1.00 0.00 N ATOM 611 CA LEU A 723 60.413 2.604 16.315 1.00 0.00 C ATOM 612 C LEU A 723 60.398 2.111 17.759 1.00 0.00 C ATOM 613 O LEU A 723 60.166 2.888 18.688 1.00 0.00 O ATOM 614 CB LEU A 723 59.071 2.284 15.646 1.00 0.00 C ATOM 615 CG LEU A 723 57.924 2.883 16.468 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.992 4.411 16.404 1.00 0.00 C ATOM 617 CD2 LEU A 723 56.588 2.404 15.894 1.00 0.00 C ATOM 0 H LEU A 723 61.200 1.406 14.781 1.00 0.00 H new ATOM 0 HA LEU A 723 60.570 3.683 16.313 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.054 2.687 14.633 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.945 1.205 15.561 1.00 0.00 H new ATOM 0 HG LEU A 723 58.011 2.562 17.506 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.176 4.836 16.989 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.945 4.750 16.810 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.903 4.736 15.367 1.00 0.00 H new ATOM 0 HD21 LEU A 723 55.769 2.828 16.476 1.00 0.00 H new ATOM 0 HD22 LEU A 723 56.501 2.727 14.857 1.00 0.00 H new ATOM 0 HD23 LEU A 723 56.541 1.316 15.941 1.00 0.00 H new