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 56:sc= 1.32 USER MOD Single : A 719 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.996 -3.978 -6.531 1.00 0.00 N ATOM 279 CA ALA A 701 45.411 -3.619 -6.493 1.00 0.00 C ATOM 280 C ALA A 701 46.097 -4.245 -5.284 1.00 0.00 C ATOM 281 O ALA A 701 47.282 -4.564 -5.337 1.00 0.00 O ATOM 282 CB ALA A 701 45.565 -2.098 -6.435 1.00 0.00 C ATOM 0 HA ALA A 701 45.882 -3.999 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.624 -1.840 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 701 45.106 -1.652 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 701 45.075 -1.717 -5.539 1.00 0.00 H new ATOM 288 N ILE A 702 45.309 -4.559 -4.255 1.00 0.00 N ATOM 289 CA ILE A 702 45.853 -5.152 -3.037 1.00 0.00 C ATOM 290 C ILE A 702 46.654 -6.410 -3.362 1.00 0.00 C ATOM 291 O ILE A 702 47.725 -6.632 -2.796 1.00 0.00 O ATOM 292 CB ILE A 702 44.713 -5.499 -2.068 1.00 0.00 C ATOM 293 CG1 ILE A 702 45.293 -5.811 -0.683 1.00 0.00 C ATOM 294 CG2 ILE A 702 43.943 -6.720 -2.591 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.156 -5.975 0.330 1.00 0.00 C ATOM 0 H ILE A 702 44.300 -4.413 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 702 46.518 -4.427 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 702 44.033 -4.650 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.889 -6.722 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 702 45.960 -5.008 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 702 43.135 -6.963 -1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 702 43.526 -6.494 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.620 -7.570 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.573 -6.197 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 702 43.578 -5.052 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.507 -6.793 0.019 1.00 0.00 H new ATOM 307 N ILE A 703 46.244 -7.096 -4.425 1.00 0.00 N ATOM 308 CA ILE A 703 46.927 -8.309 -4.862 1.00 0.00 C ATOM 309 C ILE A 703 48.297 -7.970 -5.448 1.00 0.00 C ATOM 310 O ILE A 703 49.307 -8.565 -5.068 1.00 0.00 O ATOM 311 CB ILE A 703 46.076 -9.028 -5.915 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.755 -9.489 -5.283 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.839 -10.245 -6.451 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.645 -9.484 -6.340 1.00 0.00 C ATOM 0 H ILE A 703 45.443 -6.833 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 703 47.069 -8.962 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 703 45.865 -8.343 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.870 -10.490 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.487 -8.830 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 703 46.232 -10.754 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.774 -9.917 -6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.054 -10.930 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.710 -9.812 -5.887 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.523 -8.475 -6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.912 -10.161 -7.151 1.00 0.00 H new ATOM 326 N GLY A 704 48.342 -6.903 -6.242 1.00 0.00 N ATOM 327 CA GLY A 704 49.595 -6.454 -6.844 1.00 0.00 C ATOM 328 C GLY A 704 50.461 -5.723 -5.821 1.00 0.00 C ATOM 329 O GLY A 704 51.644 -6.026 -5.670 1.00 0.00 O ATOM 0 H GLY A 704 47.529 -6.335 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 704 50.140 -7.311 -7.241 1.00 0.00 H new ATOM 0 HA3 GLY A 704 49.383 -5.794 -7.685 1.00 0.00 H new ATOM 333 N LEU A 705 49.828 -4.855 -5.036 1.00 0.00 N ATOM 334 CA LEU A 705 50.513 -4.172 -3.942 1.00 0.00 C ATOM 335 C LEU A 705 51.114 -5.177 -2.965 1.00 0.00 C ATOM 336 O LEU A 705 52.104 -4.880 -2.297 1.00 0.00 O ATOM 337 CB LEU A 705 49.527 -3.266 -3.194 1.00 0.00 C ATOM 338 CG LEU A 705 49.019 -2.170 -4.132 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.904 -1.382 -3.437 1.00 0.00 C ATOM 340 CD2 LEU A 705 50.171 -1.227 -4.491 1.00 0.00 C ATOM 0 H LEU A 705 48.843 -4.608 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 705 51.317 -3.571 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.689 -3.855 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.015 -2.819 -2.328 1.00 0.00 H new ATOM 0 HG LEU A 705 48.629 -2.623 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.541 -0.600 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.084 -2.055 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.293 -0.929 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.807 -0.447 -5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.565 -0.772 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.961 -1.790 -4.987 1.00 0.00 H new ATOM 352 N MET A 706 50.428 -6.304 -2.778 1.00 0.00 N ATOM 353 CA MET A 706 50.877 -7.314 -1.823 1.00 0.00 C ATOM 354 C MET A 706 52.209 -7.911 -2.267 1.00 0.00 C ATOM 355 O MET A 706 53.219 -7.766 -1.578 1.00 0.00 O ATOM 356 CB MET A 706 49.826 -8.426 -1.698 1.00 0.00 C ATOM 357 CG MET A 706 50.375 -9.564 -0.831 1.00 0.00 C ATOM 358 SD MET A 706 49.000 -10.582 -0.232 1.00 0.00 S ATOM 359 CE MET A 706 49.422 -10.548 1.529 1.00 0.00 C ATOM 0 H MET A 706 49.566 -6.539 -3.271 1.00 0.00 H new ATOM 0 HA MET A 706 51.011 -6.837 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.913 -8.028 -1.256 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.563 -8.804 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.069 -10.174 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.934 -9.157 0.011 1.00 0.00 H new ATOM 0 HE1 MET A 706 48.688 -11.126 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 706 50.412 -10.980 1.674 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.420 -9.517 1.884 1.00 0.00 H new ATOM 369 N VAL A 707 52.245 -8.386 -3.509 1.00 0.00 N ATOM 370 CA VAL A 707 53.434 -9.051 -4.032 1.00 0.00 C ATOM 371 C VAL A 707 54.532 -8.031 -4.324 1.00 0.00 C ATOM 372 O VAL A 707 55.669 -8.190 -3.880 1.00 0.00 O ATOM 373 CB VAL A 707 53.085 -9.815 -5.317 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.308 -10.611 -5.789 1.00 0.00 C ATOM 375 CG2 VAL A 707 51.920 -10.777 -5.048 1.00 0.00 C ATOM 0 H VAL A 707 51.469 -8.323 -4.168 1.00 0.00 H new ATOM 0 HA VAL A 707 53.796 -9.753 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 707 52.794 -9.104 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.059 -11.153 -6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.133 -9.927 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 707 54.602 -11.320 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 707 51.676 -11.317 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.206 -11.487 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.049 -10.211 -4.717 1.00 0.00 H new ATOM 385 N GLY A 708 54.138 -6.901 -4.910 1.00 0.00 N ATOM 386 CA GLY A 708 55.084 -5.831 -5.212 1.00 0.00 C ATOM 387 C GLY A 708 55.462 -5.057 -3.952 1.00 0.00 C ATOM 388 O GLY A 708 56.409 -4.269 -3.959 1.00 0.00 O ATOM 0 H GLY A 708 53.175 -6.705 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 708 55.981 -6.252 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 708 54.646 -5.151 -5.943 1.00 0.00 H new ATOM 392 N GLY A 709 54.791 -5.373 -2.845 1.00 0.00 N ATOM 393 CA GLY A 709 55.046 -4.685 -1.583 1.00 0.00 C ATOM 394 C GLY A 709 56.160 -5.371 -0.798 1.00 0.00 C ATOM 395 O GLY A 709 56.364 -5.086 0.381 1.00 0.00 O ATOM 0 H GLY A 709 54.072 -6.095 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.321 -3.649 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.135 -4.666 -0.985 1.00 0.00 H new ATOM 399 N VAL A 710 56.956 -6.181 -1.495 1.00 0.00 N ATOM 400 CA VAL A 710 58.114 -6.821 -0.878 1.00 0.00 C ATOM 401 C VAL A 710 59.252 -5.817 -0.703 1.00 0.00 C ATOM 402 O VAL A 710 59.913 -5.792 0.335 1.00 0.00 O ATOM 403 CB VAL A 710 58.582 -7.995 -1.750 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.937 -8.509 -1.249 1.00 0.00 C ATOM 405 CG2 VAL A 710 57.551 -9.126 -1.678 1.00 0.00 C ATOM 0 H VAL A 710 56.821 -6.408 -2.480 1.00 0.00 H new ATOM 0 HA VAL A 710 57.826 -7.193 0.105 1.00 0.00 H new ATOM 0 HB VAL A 710 58.685 -7.657 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.263 -9.342 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 710 60.673 -7.706 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 710 59.840 -8.845 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 710 57.882 -9.960 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.448 -9.459 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 710 56.589 -8.765 -2.041 1.00 0.00 H new ATOM 415 N VAL A 711 59.375 -4.902 -1.661 1.00 0.00 N ATOM 416 CA VAL A 711 60.436 -3.901 -1.619 1.00 0.00 C ATOM 417 C VAL A 711 60.164 -2.882 -0.515 1.00 0.00 C ATOM 418 O VAL A 711 61.006 -2.661 0.356 1.00 0.00 O ATOM 419 CB VAL A 711 60.533 -3.184 -2.970 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.629 -2.114 -2.907 1.00 0.00 C ATOM 421 CG2 VAL A 711 60.872 -4.198 -4.067 1.00 0.00 C ATOM 0 H VAL A 711 58.758 -4.833 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 711 61.380 -4.405 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 711 59.577 -2.711 -3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 711 61.697 -1.605 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.386 -1.390 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.585 -2.585 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 711 60.941 -3.686 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.826 -4.674 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.091 -4.957 -4.115 1.00 0.00 H new ATOM 431 N ILE A 712 58.942 -2.359 -0.493 1.00 0.00 N ATOM 432 CA ILE A 712 58.574 -1.336 0.481 1.00 0.00 C ATOM 433 C ILE A 712 58.550 -1.921 1.891 1.00 0.00 C ATOM 434 O ILE A 712 58.920 -1.248 2.854 1.00 0.00 O ATOM 435 CB ILE A 712 57.195 -0.755 0.138 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.120 -1.837 0.305 1.00 0.00 C ATOM 437 CG2 ILE A 712 57.199 -0.254 -1.312 1.00 0.00 C ATOM 438 CD1 ILE A 712 54.756 -1.282 -0.119 1.00 0.00 C ATOM 0 H ILE A 712 58.194 -2.624 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 712 59.319 -0.541 0.444 1.00 0.00 H new ATOM 0 HB ILE A 712 56.976 0.075 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.372 -2.709 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 712 56.082 -2.168 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 712 56.220 0.159 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 712 57.958 0.519 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 712 57.421 -1.084 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 712 53.996 -2.054 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.503 -0.424 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.798 -0.973 -1.164 1.00 0.00 H new ATOM 450 N ALA A 713 58.289 -3.225 1.978 1.00 0.00 N ATOM 451 CA ALA A 713 58.276 -3.912 3.266 1.00 0.00 C ATOM 452 C ALA A 713 59.638 -3.808 3.943 1.00 0.00 C ATOM 453 O ALA A 713 59.753 -3.208 5.012 1.00 0.00 O ATOM 454 CB ALA A 713 57.913 -5.386 3.069 1.00 0.00 C ATOM 0 H ALA A 713 58.085 -3.822 1.177 1.00 0.00 H new ATOM 0 HA ALA A 713 57.530 -3.436 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.906 -5.891 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.926 -5.460 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.649 -5.858 2.418 1.00 0.00 H new ATOM 460 N THR A 714 60.683 -4.154 3.197 1.00 0.00 N ATOM 461 CA THR A 714 62.041 -4.141 3.737 1.00 0.00 C ATOM 462 C THR A 714 62.437 -2.728 4.157 1.00 0.00 C ATOM 463 O THR A 714 62.921 -2.523 5.269 1.00 0.00 O ATOM 464 CB THR A 714 63.031 -4.663 2.686 1.00 0.00 C ATOM 465 OG1 THR A 714 62.407 -4.690 1.411 1.00 0.00 O ATOM 466 CG2 THR A 714 63.480 -6.078 3.062 1.00 0.00 C ATOM 0 H THR A 714 60.618 -4.446 2.222 1.00 0.00 H new ATOM 0 HA THR A 714 62.069 -4.790 4.613 1.00 0.00 H new ATOM 0 HB THR A 714 63.897 -4.003 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 714 62.066 -3.797 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.183 -6.447 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.965 -6.059 4.038 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.612 -6.737 3.101 1.00 0.00 H new ATOM 474 N VAL A 715 62.000 -1.747 3.372 1.00 0.00 N ATOM 475 CA VAL A 715 62.285 -0.349 3.674 1.00 0.00 C ATOM 476 C VAL A 715 61.605 0.068 4.976 1.00 0.00 C ATOM 477 O VAL A 715 62.250 0.620 5.869 1.00 0.00 O ATOM 478 CB VAL A 715 61.794 0.542 2.527 1.00 0.00 C ATOM 479 CG1 VAL A 715 62.097 2.011 2.845 1.00 0.00 C ATOM 480 CG2 VAL A 715 62.502 0.142 1.225 1.00 0.00 C ATOM 0 H VAL A 715 61.450 -1.894 2.526 1.00 0.00 H new ATOM 0 HA VAL A 715 63.363 -0.232 3.789 1.00 0.00 H new ATOM 0 HB VAL A 715 60.718 0.414 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 715 61.746 2.640 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 715 61.589 2.296 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 715 63.172 2.142 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 715 62.152 0.776 0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 715 63.579 0.265 1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 715 62.279 -0.900 0.995 1.00 0.00 H new ATOM 490 N ILE A 716 60.369 -0.390 5.158 1.00 0.00 N ATOM 491 CA ILE A 716 59.601 -0.051 6.353 1.00 0.00 C ATOM 492 C ILE A 716 60.067 -0.886 7.545 1.00 0.00 C ATOM 493 O ILE A 716 60.041 -0.422 8.685 1.00 0.00 O ATOM 494 CB ILE A 716 58.108 -0.296 6.100 1.00 0.00 C ATOM 495 CG1 ILE A 716 57.608 0.660 5.010 1.00 0.00 C ATOM 496 CG2 ILE A 716 57.320 -0.053 7.393 1.00 0.00 C ATOM 497 CD1 ILE A 716 56.281 0.147 4.443 1.00 0.00 C ATOM 0 H ILE A 716 59.880 -0.994 4.497 1.00 0.00 H new ATOM 0 HA ILE A 716 59.761 1.003 6.581 1.00 0.00 H new ATOM 0 HB ILE A 716 57.962 -1.326 5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 716 57.476 1.660 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 716 58.349 0.739 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 716 56.260 -0.228 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.672 -0.734 8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 716 57.467 0.976 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.928 0.828 3.669 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.427 -0.844 4.014 1.00 0.00 H new ATOM 0 HD13 ILE A 716 55.541 0.091 5.242 1.00 0.00 H new ATOM 509 N VAL A 717 60.548 -2.095 7.264 1.00 0.00 N ATOM 510 CA VAL A 717 61.021 -2.989 8.318 1.00 0.00 C ATOM 511 C VAL A 717 62.237 -2.390 9.020 1.00 0.00 C ATOM 512 O VAL A 717 62.304 -2.366 10.249 1.00 0.00 O ATOM 513 CB VAL A 717 61.387 -4.355 7.722 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.101 -5.207 8.778 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.113 -5.075 7.264 1.00 0.00 C ATOM 0 H VAL A 717 60.620 -2.476 6.321 1.00 0.00 H new ATOM 0 HA VAL A 717 60.222 -3.117 9.048 1.00 0.00 H new ATOM 0 HB VAL A 717 62.049 -4.207 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.359 -6.176 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.010 -4.700 9.101 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.442 -5.352 9.634 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.375 -6.045 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.450 -5.218 8.117 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.607 -4.474 6.508 1.00 0.00 H new ATOM 525 N ILE A 718 63.124 -1.785 8.235 1.00 0.00 N ATOM 526 CA ILE A 718 64.319 -1.152 8.785 1.00 0.00 C ATOM 527 C ILE A 718 63.940 0.069 9.622 1.00 0.00 C ATOM 528 O ILE A 718 64.585 0.362 10.628 1.00 0.00 O ATOM 529 CB ILE A 718 65.265 -0.749 7.637 1.00 0.00 C ATOM 530 CG1 ILE A 718 66.330 -1.837 7.443 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.960 0.581 7.957 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.657 -3.175 7.118 1.00 0.00 C ATOM 0 H ILE A 718 63.039 -1.720 7.221 1.00 0.00 H new ATOM 0 HA ILE A 718 64.831 -1.862 9.435 1.00 0.00 H new ATOM 0 HB ILE A 718 64.678 -0.635 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 718 67.007 -1.555 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.933 -1.933 8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.624 0.851 7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.210 1.361 8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.540 0.477 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.419 -3.942 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.998 -3.460 7.938 1.00 0.00 H new ATOM 0 HD13 ILE A 718 65.074 -3.076 6.202 1.00 0.00 H new ATOM 544 N THR A 719 62.800 0.674 9.295 1.00 0.00 N ATOM 545 CA THR A 719 62.277 1.785 10.086 1.00 0.00 C ATOM 546 C THR A 719 61.588 1.269 11.349 1.00 0.00 C ATOM 547 O THR A 719 61.659 1.901 12.403 1.00 0.00 O ATOM 548 CB THR A 719 61.288 2.602 9.246 1.00 0.00 C ATOM 549 OG1 THR A 719 62.004 3.339 8.265 1.00 0.00 O ATOM 550 CG2 THR A 719 60.514 3.573 10.146 1.00 0.00 C ATOM 0 H THR A 719 62.224 0.416 8.493 1.00 0.00 H new ATOM 0 HA THR A 719 63.109 2.423 10.383 1.00 0.00 H new ATOM 0 HB THR A 719 60.584 1.926 8.761 1.00 0.00 H new ATOM 0 HG1 THR A 719 61.375 3.861 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.814 4.150 9.542 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.964 3.010 10.901 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.213 4.250 10.636 1.00 0.00 H new ATOM 558 N LEU A 720 61.041 0.058 11.268 1.00 0.00 N ATOM 559 CA LEU A 720 60.244 -0.483 12.364 1.00 0.00 C ATOM 560 C LEU A 720 61.116 -0.726 13.594 1.00 0.00 C ATOM 561 O LEU A 720 60.670 -0.518 14.723 1.00 0.00 O ATOM 562 CB LEU A 720 59.583 -1.799 11.933 1.00 0.00 C ATOM 563 CG LEU A 720 58.066 -1.708 12.139 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.403 -2.972 11.584 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.748 -1.576 13.635 1.00 0.00 C ATOM 0 H LEU A 720 61.134 -0.561 10.463 1.00 0.00 H new ATOM 0 HA LEU A 720 59.472 0.243 12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.806 -2.003 10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.989 -2.628 12.513 1.00 0.00 H new ATOM 0 HG LEU A 720 57.683 -0.832 11.615 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.324 -2.911 11.729 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.622 -3.060 10.520 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.790 -3.846 12.108 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.669 -1.512 13.773 1.00 0.00 H new ATOM 0 HD22 LEU A 720 58.131 -2.447 14.167 1.00 0.00 H new ATOM 0 HD23 LEU A 720 58.218 -0.675 14.029 1.00 0.00 H new ATOM 577 N VAL A 721 62.406 -0.962 13.360 1.00 0.00 N ATOM 578 CA VAL A 721 63.336 -1.236 14.454 1.00 0.00 C ATOM 579 C VAL A 721 63.430 -0.032 15.390 1.00 0.00 C ATOM 580 O VAL A 721 63.542 -0.194 16.606 1.00 0.00 O ATOM 581 CB VAL A 721 64.728 -1.571 13.896 1.00 0.00 C ATOM 582 CG1 VAL A 721 64.597 -2.554 12.728 1.00 0.00 C ATOM 583 CG2 VAL A 721 65.417 -0.292 13.409 1.00 0.00 C ATOM 0 H VAL A 721 62.828 -0.969 12.431 1.00 0.00 H new ATOM 0 HA VAL A 721 62.962 -2.091 15.017 1.00 0.00 H new ATOM 0 HB VAL A 721 65.325 -2.025 14.687 1.00 0.00 H new ATOM 0 HG11 VAL A 721 65.587 -2.788 12.336 1.00 0.00 H new ATOM 0 HG12 VAL A 721 64.118 -3.470 13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 721 63.992 -2.105 11.940 1.00 0.00 H new ATOM 0 HG21 VAL A 721 66.403 -0.537 13.015 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.817 0.168 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 721 65.522 0.404 14.241 1.00 0.00 H new ATOM 593 N MET A 722 63.156 1.151 14.842 1.00 0.00 N ATOM 594 CA MET A 722 63.218 2.384 15.619 1.00 0.00 C ATOM 595 C MET A 722 62.052 2.457 16.601 1.00 0.00 C ATOM 596 O MET A 722 62.206 2.927 17.730 1.00 0.00 O ATOM 597 CB MET A 722 63.172 3.593 14.676 1.00 0.00 C ATOM 598 CG MET A 722 64.272 4.591 15.054 1.00 0.00 C ATOM 599 SD MET A 722 64.180 6.025 13.952 1.00 0.00 S ATOM 600 CE MET A 722 65.651 6.887 14.561 1.00 0.00 C ATOM 0 H MET A 722 62.890 1.280 13.866 1.00 0.00 H new ATOM 0 HA MET A 722 64.152 2.394 16.181 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.304 3.266 13.645 1.00 0.00 H new ATOM 0 HB3 MET A 722 62.196 4.075 14.735 1.00 0.00 H new ATOM 0 HG2 MET A 722 64.153 4.906 16.091 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.251 4.119 14.975 1.00 0.00 H new ATOM 0 HE1 MET A 722 65.784 7.816 14.007 1.00 0.00 H new ATOM 0 HE2 MET A 722 65.529 7.111 15.621 1.00 0.00 H new ATOM 0 HE3 MET A 722 66.527 6.254 14.422 1.00 0.00 H new ATOM 610 N LEU A 723 60.899 1.945 16.179 1.00 0.00 N ATOM 611 CA LEU A 723 59.746 1.841 17.068 1.00 0.00 C ATOM 612 C LEU A 723 59.870 0.618 17.970 1.00 0.00 C ATOM 613 O LEU A 723 59.700 0.718 19.185 1.00 0.00 O ATOM 614 CB LEU A 723 58.457 1.742 16.246 1.00 0.00 C ATOM 615 CG LEU A 723 58.302 2.989 15.370 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.098 2.807 14.441 1.00 0.00 C ATOM 617 CD2 LEU A 723 58.088 4.223 16.255 1.00 0.00 C ATOM 0 H LEU A 723 60.739 1.598 15.233 1.00 0.00 H new ATOM 0 HA LEU A 723 59.712 2.735 17.691 1.00 0.00 H new ATOM 0 HB2 LEU A 723 58.481 0.849 15.622 1.00 0.00 H new ATOM 0 HB3 LEU A 723 57.598 1.644 16.910 1.00 0.00 H new ATOM 0 HG LEU A 723 59.205 3.129 14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.984 3.692 13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.255 1.934 13.808 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.197 2.665 15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.978 5.107 15.627 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.187 4.089 16.854 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.946 4.351 16.915 1.00 0.00 H new