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 33:sc= 0.597 USER MOD Single : A 719 THR OG1 : rot 77:sc= 0.585 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.943 -4.806 -6.731 1.00 0.00 N ATOM 279 CA ALA A 701 45.308 -4.297 -6.650 1.00 0.00 C ATOM 280 C ALA A 701 45.962 -4.698 -5.330 1.00 0.00 C ATOM 281 O ALA A 701 47.173 -4.565 -5.168 1.00 0.00 O ATOM 282 CB ALA A 701 45.304 -2.772 -6.776 1.00 0.00 C ATOM 0 HA ALA A 701 45.882 -4.731 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.326 -2.399 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.871 -2.487 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.712 -2.342 -5.968 1.00 0.00 H new ATOM 288 N ILE A 702 45.150 -5.161 -4.379 1.00 0.00 N ATOM 289 CA ILE A 702 45.675 -5.635 -3.100 1.00 0.00 C ATOM 290 C ILE A 702 46.638 -6.803 -3.315 1.00 0.00 C ATOM 291 O ILE A 702 47.698 -6.864 -2.691 1.00 0.00 O ATOM 292 CB ILE A 702 44.525 -6.075 -2.193 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.038 -6.240 -0.760 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.963 -7.408 -2.689 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.875 -6.622 0.158 1.00 0.00 C ATOM 0 H ILE A 702 44.136 -5.217 -4.469 1.00 0.00 H new ATOM 0 HA ILE A 702 46.216 -4.817 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 702 43.739 -5.320 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.810 -7.009 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.496 -5.312 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.143 -7.721 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.596 -7.291 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.748 -8.163 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.240 -6.740 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.118 -5.838 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.437 -7.561 -0.181 1.00 0.00 H new ATOM 307 N ILE A 703 46.340 -7.622 -4.319 1.00 0.00 N ATOM 308 CA ILE A 703 47.181 -8.769 -4.639 1.00 0.00 C ATOM 309 C ILE A 703 48.507 -8.302 -5.232 1.00 0.00 C ATOM 310 O ILE A 703 49.569 -8.571 -4.672 1.00 0.00 O ATOM 311 CB ILE A 703 46.464 -9.680 -5.638 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.303 -10.392 -4.939 1.00 0.00 C ATOM 313 CG2 ILE A 703 47.448 -10.719 -6.179 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.198 -10.687 -5.955 1.00 0.00 C ATOM 0 H ILE A 703 45.525 -7.513 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 703 47.378 -9.324 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 703 46.078 -9.081 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.652 -11.320 -4.486 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.914 -9.770 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.937 -11.368 -6.891 1.00 0.00 H new ATOM 0 HG22 ILE A 703 48.274 -10.212 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.835 -11.318 -5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 703 43.372 -11.194 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.842 -9.752 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.592 -11.326 -6.746 1.00 0.00 H new ATOM 326 N GLY A 704 48.415 -7.407 -6.213 1.00 0.00 N ATOM 327 CA GLY A 704 49.606 -6.830 -6.826 1.00 0.00 C ATOM 328 C GLY A 704 50.336 -5.912 -5.850 1.00 0.00 C ATOM 329 O GLY A 704 51.560 -5.785 -5.906 1.00 0.00 O ATOM 0 H GLY A 704 47.533 -7.068 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.275 -7.627 -7.150 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.325 -6.269 -7.717 1.00 0.00 H new ATOM 333 N LEU A 705 49.596 -5.363 -4.889 1.00 0.00 N ATOM 334 CA LEU A 705 50.183 -4.445 -3.919 1.00 0.00 C ATOM 335 C LEU A 705 51.164 -5.185 -3.020 1.00 0.00 C ATOM 336 O LEU A 705 52.216 -4.652 -2.665 1.00 0.00 O ATOM 337 CB LEU A 705 49.083 -3.807 -3.067 1.00 0.00 C ATOM 338 CG LEU A 705 49.718 -2.931 -1.986 1.00 0.00 C ATOM 339 CD1 LEU A 705 50.416 -1.726 -2.643 1.00 0.00 C ATOM 340 CD2 LEU A 705 48.624 -2.427 -1.025 1.00 0.00 C ATOM 0 H LEU A 705 48.599 -5.536 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 705 50.717 -3.663 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.424 -3.208 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 705 48.469 -4.582 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 705 50.450 -3.516 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 705 50.868 -1.102 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 705 51.190 -2.081 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.684 -1.141 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.076 -1.803 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 705 47.891 -1.843 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 705 48.129 -3.279 -0.558 1.00 0.00 H new ATOM 352 N MET A 706 50.761 -6.369 -2.569 1.00 0.00 N ATOM 353 CA MET A 706 51.608 -7.174 -1.698 1.00 0.00 C ATOM 354 C MET A 706 52.805 -7.718 -2.474 1.00 0.00 C ATOM 355 O MET A 706 53.935 -7.671 -1.984 1.00 0.00 O ATOM 356 CB MET A 706 50.802 -8.338 -1.118 1.00 0.00 C ATOM 357 CG MET A 706 49.666 -7.792 -0.251 1.00 0.00 C ATOM 358 SD MET A 706 49.928 -8.286 1.470 1.00 0.00 S ATOM 359 CE MET A 706 48.279 -7.863 2.083 1.00 0.00 C ATOM 0 H MET A 706 49.859 -6.790 -2.791 1.00 0.00 H new ATOM 0 HA MET A 706 51.970 -6.543 -0.886 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.397 -8.950 -1.924 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.450 -8.982 -0.523 1.00 0.00 H new ATOM 0 HG2 MET A 706 49.627 -6.705 -0.326 1.00 0.00 H new ATOM 0 HG3 MET A 706 48.708 -8.171 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.217 -8.091 3.147 1.00 0.00 H new ATOM 0 HE2 MET A 706 48.095 -6.800 1.929 1.00 0.00 H new ATOM 0 HE3 MET A 706 47.530 -8.443 1.543 1.00 0.00 H new ATOM 369 N VAL A 707 52.592 -7.961 -3.766 1.00 0.00 N ATOM 370 CA VAL A 707 53.639 -8.513 -4.621 1.00 0.00 C ATOM 371 C VAL A 707 54.774 -7.504 -4.797 1.00 0.00 C ATOM 372 O VAL A 707 55.917 -7.786 -4.436 1.00 0.00 O ATOM 373 CB VAL A 707 53.058 -8.880 -5.988 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.185 -9.323 -6.921 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.051 -10.021 -5.825 1.00 0.00 C ATOM 0 H VAL A 707 51.707 -7.785 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 707 54.037 -9.410 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 707 52.556 -8.011 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 707 53.770 -9.584 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 707 54.901 -8.510 -7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.689 -10.191 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.637 -10.283 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.552 -10.890 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.246 -9.704 -5.162 1.00 0.00 H new ATOM 385 N GLY A 708 54.405 -6.267 -5.123 1.00 0.00 N ATOM 386 CA GLY A 708 55.388 -5.200 -5.288 1.00 0.00 C ATOM 387 C GLY A 708 55.618 -4.457 -3.974 1.00 0.00 C ATOM 388 O GLY A 708 56.463 -3.564 -3.901 1.00 0.00 O ATOM 0 H GLY A 708 53.438 -5.980 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.330 -5.620 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.045 -4.500 -6.050 1.00 0.00 H new ATOM 392 N GLY A 709 54.944 -4.908 -2.917 1.00 0.00 N ATOM 393 CA GLY A 709 55.024 -4.236 -1.623 1.00 0.00 C ATOM 394 C GLY A 709 56.109 -4.854 -0.749 1.00 0.00 C ATOM 395 O GLY A 709 56.087 -4.715 0.474 1.00 0.00 O ATOM 0 H GLY A 709 54.341 -5.730 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.233 -3.177 -1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.062 -4.303 -1.115 1.00 0.00 H new ATOM 399 N VAL A 710 57.006 -5.611 -1.376 1.00 0.00 N ATOM 400 CA VAL A 710 58.094 -6.259 -0.651 1.00 0.00 C ATOM 401 C VAL A 710 59.213 -5.262 -0.350 1.00 0.00 C ATOM 402 O VAL A 710 59.778 -5.267 0.746 1.00 0.00 O ATOM 403 CB VAL A 710 58.652 -7.423 -1.472 1.00 0.00 C ATOM 404 CG1 VAL A 710 57.556 -8.471 -1.682 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.132 -6.907 -2.831 1.00 0.00 C ATOM 0 H VAL A 710 57.001 -5.790 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 710 57.698 -6.637 0.292 1.00 0.00 H new ATOM 0 HB VAL A 710 59.489 -7.874 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 710 57.953 -9.301 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 710 57.215 -8.840 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 710 56.718 -8.020 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.529 -7.737 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.296 -6.455 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.913 -6.161 -2.682 1.00 0.00 H new ATOM 415 N VAL A 711 59.416 -4.314 -1.262 1.00 0.00 N ATOM 416 CA VAL A 711 60.464 -3.309 -1.092 1.00 0.00 C ATOM 417 C VAL A 711 60.076 -2.309 -0.007 1.00 0.00 C ATOM 418 O VAL A 711 60.910 -1.913 0.809 1.00 0.00 O ATOM 419 CB VAL A 711 60.709 -2.573 -2.410 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.833 -3.268 -3.182 1.00 0.00 C ATOM 421 CG2 VAL A 711 59.429 -2.586 -3.249 1.00 0.00 C ATOM 0 H VAL A 711 58.873 -4.220 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 711 61.380 -3.817 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 711 60.995 -1.542 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.008 -2.743 -4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.745 -3.257 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 711 61.548 -4.299 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 711 59.604 -2.061 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 711 59.141 -3.616 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 711 58.629 -2.090 -2.700 1.00 0.00 H new ATOM 431 N ILE A 712 58.821 -1.870 -0.031 1.00 0.00 N ATOM 432 CA ILE A 712 58.337 -0.900 0.947 1.00 0.00 C ATOM 433 C ILE A 712 58.218 -1.541 2.327 1.00 0.00 C ATOM 434 O ILE A 712 58.282 -0.856 3.348 1.00 0.00 O ATOM 435 CB ILE A 712 56.974 -0.356 0.515 1.00 0.00 C ATOM 436 CG1 ILE A 712 55.961 -1.502 0.461 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.095 0.284 -0.869 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.597 -0.959 0.026 1.00 0.00 C ATOM 0 H ILE A 712 58.124 -2.168 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 712 59.054 -0.081 1.001 1.00 0.00 H new ATOM 0 HB ILE A 712 56.638 0.392 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.299 -2.267 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 712 55.880 -1.976 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.124 0.672 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.816 1.101 -0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.432 -0.464 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.876 -1.775 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.259 -0.209 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.684 -0.505 -0.961 1.00 0.00 H new ATOM 450 N ALA A 713 58.036 -2.860 2.346 1.00 0.00 N ATOM 451 CA ALA A 713 57.936 -3.592 3.604 1.00 0.00 C ATOM 452 C ALA A 713 59.246 -3.502 4.379 1.00 0.00 C ATOM 453 O ALA A 713 59.302 -2.842 5.417 1.00 0.00 O ATOM 454 CB ALA A 713 57.599 -5.059 3.331 1.00 0.00 C ATOM 0 H ALA A 713 57.955 -3.439 1.510 1.00 0.00 H new ATOM 0 HA ALA A 713 57.142 -3.145 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.526 -5.598 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.647 -5.122 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.383 -5.505 2.719 1.00 0.00 H new ATOM 460 N THR A 714 60.336 -3.881 3.714 1.00 0.00 N ATOM 461 CA THR A 714 61.657 -3.848 4.336 1.00 0.00 C ATOM 462 C THR A 714 61.994 -2.440 4.821 1.00 0.00 C ATOM 463 O THR A 714 62.433 -2.262 5.957 1.00 0.00 O ATOM 464 CB THR A 714 62.717 -4.311 3.335 1.00 0.00 C ATOM 465 OG1 THR A 714 62.376 -3.847 2.036 1.00 0.00 O ATOM 466 CG2 THR A 714 62.782 -5.840 3.329 1.00 0.00 C ATOM 0 H THR A 714 60.330 -4.213 2.749 1.00 0.00 H new ATOM 0 HA THR A 714 61.647 -4.520 5.194 1.00 0.00 H new ATOM 0 HB THR A 714 63.688 -3.908 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.916 -2.985 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.537 -6.169 2.616 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.044 -6.197 4.325 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.811 -6.244 3.042 1.00 0.00 H new ATOM 474 N VAL A 715 61.568 -1.442 4.050 1.00 0.00 N ATOM 475 CA VAL A 715 61.840 -0.048 4.392 1.00 0.00 C ATOM 476 C VAL A 715 61.113 0.338 5.678 1.00 0.00 C ATOM 477 O VAL A 715 61.750 0.682 6.674 1.00 0.00 O ATOM 478 CB VAL A 715 61.387 0.866 3.252 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.608 2.328 3.648 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.198 0.552 1.992 1.00 0.00 C ATOM 0 H VAL A 715 61.036 -1.571 3.189 1.00 0.00 H new ATOM 0 HA VAL A 715 62.913 0.068 4.545 1.00 0.00 H new ATOM 0 HB VAL A 715 60.328 0.700 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.285 2.978 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.030 2.553 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.667 2.495 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.875 1.203 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.257 0.717 2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.040 -0.488 1.707 1.00 0.00 H new ATOM 490 N ILE A 716 59.821 0.025 5.723 1.00 0.00 N ATOM 491 CA ILE A 716 59.015 0.279 6.912 1.00 0.00 C ATOM 492 C ILE A 716 59.501 -0.581 8.079 1.00 0.00 C ATOM 493 O ILE A 716 59.734 -0.071 9.176 1.00 0.00 O ATOM 494 CB ILE A 716 57.545 -0.031 6.622 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.927 1.126 5.835 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.790 -0.215 7.940 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.612 2.283 6.786 1.00 0.00 C ATOM 0 H ILE A 716 59.311 -0.404 4.951 1.00 0.00 H new ATOM 0 HA ILE A 716 59.116 1.330 7.182 1.00 0.00 H new ATOM 0 HB ILE A 716 57.476 -0.947 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.614 1.458 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.017 0.794 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.743 -0.436 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.231 -1.040 8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.858 0.700 8.529 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.172 3.107 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 716 55.909 1.947 7.548 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.531 2.621 7.265 1.00 0.00 H new ATOM 509 N VAL A 717 59.840 -1.832 7.778 1.00 0.00 N ATOM 510 CA VAL A 717 60.200 -2.793 8.817 1.00 0.00 C ATOM 511 C VAL A 717 61.534 -2.411 9.454 1.00 0.00 C ATOM 512 O VAL A 717 61.637 -2.317 10.677 1.00 0.00 O ATOM 513 CB VAL A 717 60.298 -4.198 8.220 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.865 -5.160 9.266 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.905 -4.669 7.795 1.00 0.00 C ATOM 0 H VAL A 717 59.873 -2.203 6.828 1.00 0.00 H new ATOM 0 HA VAL A 717 59.426 -2.782 9.584 1.00 0.00 H new ATOM 0 HB VAL A 717 60.956 -4.178 7.351 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.935 -6.161 8.840 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.857 -4.825 9.569 1.00 0.00 H new ATOM 0 HG13 VAL A 717 60.208 -5.181 10.135 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.974 -5.670 7.369 1.00 0.00 H new ATOM 0 HG22 VAL A 717 58.247 -4.688 8.664 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.501 -3.984 7.049 1.00 0.00 H new ATOM 525 N ILE A 718 62.484 -2.006 8.613 1.00 0.00 N ATOM 526 CA ILE A 718 63.794 -1.578 9.095 1.00 0.00 C ATOM 527 C ILE A 718 63.660 -0.344 9.984 1.00 0.00 C ATOM 528 O ILE A 718 64.218 -0.300 11.082 1.00 0.00 O ATOM 529 CB ILE A 718 64.708 -1.258 7.909 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.155 -2.562 7.244 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.935 -0.490 8.402 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.681 -2.266 5.839 1.00 0.00 C ATOM 0 H ILE A 718 62.371 -1.966 7.600 1.00 0.00 H new ATOM 0 HA ILE A 718 64.228 -2.389 9.680 1.00 0.00 H new ATOM 0 HB ILE A 718 64.165 -0.649 7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.932 -3.039 7.841 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.320 -3.260 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.585 -0.262 7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.617 0.439 8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.479 -1.098 9.125 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.999 -3.195 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.891 -1.808 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.528 -1.583 5.904 1.00 0.00 H new ATOM 544 N THR A 719 62.791 0.579 9.579 1.00 0.00 N ATOM 545 CA THR A 719 62.529 1.774 10.373 1.00 0.00 C ATOM 546 C THR A 719 61.864 1.405 11.698 1.00 0.00 C ATOM 547 O THR A 719 62.206 1.960 12.743 1.00 0.00 O ATOM 548 CB THR A 719 61.623 2.731 9.594 1.00 0.00 C ATOM 549 OG1 THR A 719 62.237 3.058 8.355 1.00 0.00 O ATOM 550 CG2 THR A 719 61.405 4.008 10.409 1.00 0.00 C ATOM 0 H THR A 719 62.259 0.522 8.710 1.00 0.00 H new ATOM 0 HA THR A 719 63.480 2.263 10.582 1.00 0.00 H new ATOM 0 HB THR A 719 60.662 2.252 9.409 1.00 0.00 H new ATOM 0 HG1 THR A 719 62.138 2.307 7.733 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.760 4.689 9.853 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.935 3.757 11.360 1.00 0.00 H new ATOM 0 HG23 THR A 719 62.365 4.489 10.595 1.00 0.00 H new ATOM 558 N LEU A 720 61.082 0.329 11.672 1.00 0.00 N ATOM 559 CA LEU A 720 60.371 -0.122 12.863 1.00 0.00 C ATOM 560 C LEU A 720 61.349 -0.670 13.902 1.00 0.00 C ATOM 561 O LEU A 720 61.127 -0.529 15.106 1.00 0.00 O ATOM 562 CB LEU A 720 59.361 -1.208 12.488 1.00 0.00 C ATOM 563 CG LEU A 720 57.945 -0.722 12.806 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.559 0.398 11.837 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.961 -1.885 12.659 1.00 0.00 C ATOM 0 H LEU A 720 60.926 -0.244 10.843 1.00 0.00 H new ATOM 0 HA LEU A 720 59.846 0.731 13.292 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.445 -1.447 11.428 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.575 -2.124 13.039 1.00 0.00 H new ATOM 0 HG LEU A 720 57.912 -0.345 13.828 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.550 0.744 12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 720 58.259 1.227 11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.592 0.022 10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.952 -1.539 12.885 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.994 -2.263 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.235 -2.683 13.350 1.00 0.00 H new ATOM 577 N VAL A 721 62.500 -1.149 13.430 1.00 0.00 N ATOM 578 CA VAL A 721 63.547 -1.631 14.329 1.00 0.00 C ATOM 579 C VAL A 721 64.133 -0.474 15.135 1.00 0.00 C ATOM 580 O VAL A 721 64.590 -0.663 16.264 1.00 0.00 O ATOM 581 CB VAL A 721 64.658 -2.309 13.525 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.688 -2.912 14.484 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.057 -3.420 12.660 1.00 0.00 C ATOM 0 H VAL A 721 62.730 -1.213 12.438 1.00 0.00 H new ATOM 0 HA VAL A 721 63.106 -2.353 15.016 1.00 0.00 H new ATOM 0 HB VAL A 721 65.144 -1.572 12.886 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.480 -3.395 13.911 1.00 0.00 H new ATOM 0 HG12 VAL A 721 66.117 -2.122 15.101 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.202 -3.649 15.124 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.848 -3.903 12.087 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.571 -4.156 13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.323 -2.992 11.976 1.00 0.00 H new ATOM 593 N MET A 722 64.196 0.700 14.512 1.00 0.00 N ATOM 594 CA MET A 722 64.767 1.874 15.169 1.00 0.00 C ATOM 595 C MET A 722 63.755 2.492 16.128 1.00 0.00 C ATOM 596 O MET A 722 64.120 2.956 17.210 1.00 0.00 O ATOM 597 CB MET A 722 65.179 2.911 14.122 1.00 0.00 C ATOM 598 CG MET A 722 66.306 2.344 13.257 1.00 0.00 C ATOM 599 SD MET A 722 67.806 3.327 13.499 1.00 0.00 S ATOM 600 CE MET A 722 68.777 2.594 12.158 1.00 0.00 C ATOM 0 H MET A 722 63.862 0.864 13.562 1.00 0.00 H new ATOM 0 HA MET A 722 65.645 1.561 15.734 1.00 0.00 H new ATOM 0 HB2 MET A 722 64.324 3.173 13.498 1.00 0.00 H new ATOM 0 HB3 MET A 722 65.508 3.827 14.612 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.494 1.303 13.522 1.00 0.00 H new ATOM 0 HG3 MET A 722 66.015 2.358 12.207 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.761 3.062 12.123 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.890 1.524 12.333 1.00 0.00 H new ATOM 0 HE3 MET A 722 68.265 2.754 11.209 1.00 0.00 H new ATOM 610 N LEU A 723 62.474 2.328 15.808 1.00 0.00 N ATOM 611 CA LEU A 723 61.409 2.827 16.668 1.00 0.00 C ATOM 612 C LEU A 723 61.323 2.012 17.954 1.00 0.00 C ATOM 613 O LEU A 723 61.314 2.580 19.046 1.00 0.00 O ATOM 614 CB LEU A 723 60.069 2.762 15.933 1.00 0.00 C ATOM 615 CG LEU A 723 60.073 3.757 14.769 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.813 3.548 13.909 1.00 0.00 C ATOM 617 CD2 LEU A 723 60.082 5.194 15.322 1.00 0.00 C ATOM 0 H LEU A 723 62.151 1.856 14.964 1.00 0.00 H new ATOM 0 HA LEU A 723 61.636 3.862 16.924 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.895 1.752 15.561 1.00 0.00 H new ATOM 0 HB3 LEU A 723 59.255 2.993 16.620 1.00 0.00 H new ATOM 0 HG LEU A 723 60.961 3.596 14.158 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.816 4.256 13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.805 2.531 13.517 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.925 3.708 14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 723 60.085 5.903 14.494 1.00 0.00 H new ATOM 0 HD22 LEU A 723 59.194 5.354 15.933 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.974 5.344 15.931 1.00 0.00 H new