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 62:sc= 1.01 USER MOD Single : A 719 THR OG1 : rot 79:sc= 0.901 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.643 -5.118 -5.959 1.00 0.00 N ATOM 279 CA ALA A 701 45.013 -4.827 -6.367 1.00 0.00 C ATOM 280 C ALA A 701 46.002 -5.205 -5.268 1.00 0.00 C ATOM 281 O ALA A 701 47.145 -5.558 -5.552 1.00 0.00 O ATOM 282 CB ALA A 701 45.152 -3.338 -6.690 1.00 0.00 C ATOM 0 HA ALA A 701 45.238 -5.419 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 701 46.177 -3.126 -6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.471 -3.076 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.907 -2.749 -5.806 1.00 0.00 H new ATOM 288 N ILE A 702 45.527 -5.223 -4.023 1.00 0.00 N ATOM 289 CA ILE A 702 46.401 -5.485 -2.880 1.00 0.00 C ATOM 290 C ILE A 702 47.118 -6.823 -3.041 1.00 0.00 C ATOM 291 O ILE A 702 48.298 -6.943 -2.710 1.00 0.00 O ATOM 292 CB ILE A 702 45.585 -5.490 -1.579 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.475 -6.552 -1.661 1.00 0.00 C ATOM 294 CG2 ILE A 702 44.959 -4.108 -1.362 1.00 0.00 C ATOM 295 CD1 ILE A 702 44.877 -7.785 -0.848 1.00 0.00 C ATOM 0 H ILE A 702 44.549 -5.061 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 702 47.147 -4.692 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 702 46.244 -5.726 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 702 43.539 -6.143 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.302 -6.831 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.380 -4.112 -0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.747 -3.358 -1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 702 44.304 -3.870 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.088 -8.534 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.802 -8.199 -1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 702 45.028 -7.501 0.193 1.00 0.00 H new ATOM 307 N ILE A 703 46.462 -7.753 -3.731 1.00 0.00 N ATOM 308 CA ILE A 703 47.067 -9.045 -4.044 1.00 0.00 C ATOM 309 C ILE A 703 48.288 -8.860 -4.945 1.00 0.00 C ATOM 310 O ILE A 703 49.398 -9.256 -4.589 1.00 0.00 O ATOM 311 CB ILE A 703 46.030 -9.942 -4.737 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.064 -10.518 -3.688 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.732 -11.084 -5.484 1.00 0.00 C ATOM 314 CD1 ILE A 703 45.707 -11.716 -2.977 1.00 0.00 C ATOM 0 H ILE A 703 45.512 -7.636 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 703 47.393 -9.518 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 703 45.468 -9.346 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.806 -9.749 -2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.136 -10.826 -4.169 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.987 -11.713 -5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.403 -10.669 -6.236 1.00 0.00 H new ATOM 0 HG23 ILE A 703 47.306 -11.683 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 703 45.013 -12.115 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 703 45.942 -12.490 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 703 46.623 -11.396 -2.480 1.00 0.00 H new ATOM 326 N GLY A 704 48.102 -8.114 -6.032 1.00 0.00 N ATOM 327 CA GLY A 704 49.150 -7.965 -7.037 1.00 0.00 C ATOM 328 C GLY A 704 50.191 -6.937 -6.597 1.00 0.00 C ATOM 329 O GLY A 704 51.394 -7.158 -6.750 1.00 0.00 O ATOM 0 H GLY A 704 47.241 -7.607 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.634 -8.927 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.708 -7.657 -7.985 1.00 0.00 H new ATOM 333 N LEU A 705 49.730 -5.901 -5.896 1.00 0.00 N ATOM 334 CA LEU A 705 50.631 -4.893 -5.338 1.00 0.00 C ATOM 335 C LEU A 705 51.576 -5.513 -4.313 1.00 0.00 C ATOM 336 O LEU A 705 52.730 -5.103 -4.199 1.00 0.00 O ATOM 337 CB LEU A 705 49.817 -3.779 -4.671 1.00 0.00 C ATOM 338 CG LEU A 705 49.018 -3.020 -5.736 1.00 0.00 C ATOM 339 CD1 LEU A 705 48.028 -2.071 -5.051 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.975 -2.214 -6.620 1.00 0.00 C ATOM 0 H LEU A 705 48.742 -5.738 -5.702 1.00 0.00 H new ATOM 0 HA LEU A 705 51.224 -4.479 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.141 -4.203 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.482 -3.095 -4.144 1.00 0.00 H new ATOM 0 HG LEU A 705 48.470 -3.731 -6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.459 -1.531 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.345 -2.647 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.575 -1.360 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.405 -1.675 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.526 -1.502 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.676 -2.891 -7.108 1.00 0.00 H new ATOM 352 N MET A 706 51.114 -6.574 -3.655 1.00 0.00 N ATOM 353 CA MET A 706 51.918 -7.238 -2.633 1.00 0.00 C ATOM 354 C MET A 706 53.167 -7.861 -3.251 1.00 0.00 C ATOM 355 O MET A 706 54.222 -7.913 -2.617 1.00 0.00 O ATOM 356 CB MET A 706 51.090 -8.325 -1.944 1.00 0.00 C ATOM 357 CG MET A 706 50.934 -7.989 -0.460 1.00 0.00 C ATOM 358 SD MET A 706 50.013 -9.316 0.361 1.00 0.00 S ATOM 359 CE MET A 706 50.690 -9.072 2.022 1.00 0.00 C ATOM 0 H MET A 706 50.195 -6.989 -3.810 1.00 0.00 H new ATOM 0 HA MET A 706 52.225 -6.493 -1.899 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.110 -8.403 -2.415 1.00 0.00 H new ATOM 0 HB3 MET A 706 51.576 -9.294 -2.059 1.00 0.00 H new ATOM 0 HG2 MET A 706 51.914 -7.871 0.003 1.00 0.00 H new ATOM 0 HG3 MET A 706 50.410 -7.041 -0.343 1.00 0.00 H new ATOM 0 HE1 MET A 706 50.250 -9.799 2.705 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.772 -9.205 1.997 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.456 -8.064 2.366 1.00 0.00 H new ATOM 369 N VAL A 707 53.054 -8.275 -4.511 1.00 0.00 N ATOM 370 CA VAL A 707 54.182 -8.886 -5.210 1.00 0.00 C ATOM 371 C VAL A 707 55.350 -7.908 -5.298 1.00 0.00 C ATOM 372 O VAL A 707 56.486 -8.261 -4.979 1.00 0.00 O ATOM 373 CB VAL A 707 53.759 -9.311 -6.623 1.00 0.00 C ATOM 374 CG1 VAL A 707 54.932 -10.005 -7.323 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.575 -10.280 -6.537 1.00 0.00 C ATOM 0 H VAL A 707 52.201 -8.200 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 707 54.499 -9.765 -4.649 1.00 0.00 H new ATOM 0 HB VAL A 707 53.466 -8.428 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 707 54.630 -10.306 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.775 -9.317 -7.389 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.226 -10.886 -6.753 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.277 -10.580 -7.542 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.867 -11.162 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 707 51.738 -9.788 -6.042 1.00 0.00 H new ATOM 385 N GLY A 708 55.032 -6.642 -5.563 1.00 0.00 N ATOM 386 CA GLY A 708 56.054 -5.600 -5.628 1.00 0.00 C ATOM 387 C GLY A 708 56.175 -4.866 -4.296 1.00 0.00 C ATOM 388 O GLY A 708 57.048 -4.014 -4.128 1.00 0.00 O ATOM 0 H GLY A 708 54.081 -6.315 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 708 57.014 -6.044 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.804 -4.890 -6.417 1.00 0.00 H new ATOM 392 N GLY A 709 55.385 -5.298 -3.314 1.00 0.00 N ATOM 393 CA GLY A 709 55.390 -4.660 -2.000 1.00 0.00 C ATOM 394 C GLY A 709 56.547 -5.172 -1.145 1.00 0.00 C ATOM 395 O GLY A 709 56.641 -4.847 0.038 1.00 0.00 O ATOM 0 H GLY A 709 54.738 -6.082 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.471 -3.579 -2.117 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.445 -4.856 -1.494 1.00 0.00 H new ATOM 399 N VAL A 710 57.496 -5.850 -1.788 1.00 0.00 N ATOM 400 CA VAL A 710 58.649 -6.399 -1.080 1.00 0.00 C ATOM 401 C VAL A 710 59.580 -5.281 -0.621 1.00 0.00 C ATOM 402 O VAL A 710 59.903 -5.182 0.562 1.00 0.00 O ATOM 403 CB VAL A 710 59.421 -7.373 -1.985 1.00 0.00 C ATOM 404 CG1 VAL A 710 58.850 -8.785 -1.821 1.00 0.00 C ATOM 405 CG2 VAL A 710 59.298 -6.938 -3.450 1.00 0.00 C ATOM 0 H VAL A 710 57.489 -6.031 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 710 58.284 -6.937 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 710 60.473 -7.368 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.397 -9.476 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.949 -9.099 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 710 57.797 -8.786 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 710 59.848 -7.634 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 710 58.248 -6.934 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 710 59.711 -5.936 -3.568 1.00 0.00 H new ATOM 415 N VAL A 711 59.874 -4.354 -1.530 1.00 0.00 N ATOM 416 CA VAL A 711 60.799 -3.265 -1.231 1.00 0.00 C ATOM 417 C VAL A 711 60.198 -2.320 -0.193 1.00 0.00 C ATOM 418 O VAL A 711 60.818 -2.047 0.834 1.00 0.00 O ATOM 419 CB VAL A 711 61.132 -2.491 -2.515 1.00 0.00 C ATOM 420 CG1 VAL A 711 59.843 -1.938 -3.138 1.00 0.00 C ATOM 421 CG2 VAL A 711 62.079 -1.332 -2.187 1.00 0.00 C ATOM 0 H VAL A 711 59.488 -4.335 -2.474 1.00 0.00 H new ATOM 0 HA VAL A 711 61.715 -3.691 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 711 61.614 -3.165 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 711 60.085 -1.390 -4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 711 59.172 -2.763 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 711 59.355 -1.268 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 711 62.314 -0.784 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.600 -0.661 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 711 62.998 -1.725 -1.753 1.00 0.00 H new ATOM 431 N ILE A 712 58.912 -2.024 -0.359 1.00 0.00 N ATOM 432 CA ILE A 712 58.206 -1.157 0.579 1.00 0.00 C ATOM 433 C ILE A 712 58.092 -1.827 1.944 1.00 0.00 C ATOM 434 O ILE A 712 58.348 -1.197 2.971 1.00 0.00 O ATOM 435 CB ILE A 712 56.807 -0.836 0.034 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.929 0.186 -1.104 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.932 -0.255 1.150 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.866 -0.100 -2.169 1.00 0.00 C ATOM 0 H ILE A 712 58.340 -2.370 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 712 58.770 -0.231 0.694 1.00 0.00 H new ATOM 0 HB ILE A 712 56.348 -1.751 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.804 1.196 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.924 0.136 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.941 -0.030 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.844 -0.981 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.387 0.659 1.531 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.955 0.627 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.011 -1.104 -2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.874 -0.027 -1.722 1.00 0.00 H new ATOM 450 N ALA A 713 57.892 -3.143 1.937 1.00 0.00 N ATOM 451 CA ALA A 713 57.799 -3.897 3.182 1.00 0.00 C ATOM 452 C ALA A 713 59.072 -3.729 4.007 1.00 0.00 C ATOM 453 O ALA A 713 59.034 -3.112 5.071 1.00 0.00 O ATOM 454 CB ALA A 713 57.561 -5.380 2.882 1.00 0.00 C ATOM 0 H ALA A 713 57.792 -3.704 1.091 1.00 0.00 H new ATOM 0 HA ALA A 713 56.958 -3.511 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.493 -5.934 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.631 -5.494 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.389 -5.769 2.289 1.00 0.00 H new ATOM 460 N THR A 714 60.214 -3.969 3.364 1.00 0.00 N ATOM 461 CA THR A 714 61.505 -3.850 4.040 1.00 0.00 C ATOM 462 C THR A 714 61.713 -2.429 4.561 1.00 0.00 C ATOM 463 O THR A 714 62.103 -2.237 5.711 1.00 0.00 O ATOM 464 CB THR A 714 62.647 -4.216 3.080 1.00 0.00 C ATOM 465 OG1 THR A 714 62.139 -4.355 1.761 1.00 0.00 O ATOM 466 CG2 THR A 714 63.285 -5.535 3.522 1.00 0.00 C ATOM 0 H THR A 714 60.272 -4.245 2.384 1.00 0.00 H new ATOM 0 HA THR A 714 61.509 -4.540 4.884 1.00 0.00 H new ATOM 0 HB THR A 714 63.397 -3.425 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.762 -3.501 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 714 64.095 -5.794 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 714 63.681 -5.427 4.532 1.00 0.00 H new ATOM 0 HG23 THR A 714 62.534 -6.325 3.509 1.00 0.00 H new ATOM 474 N VAL A 715 61.282 -1.447 3.772 1.00 0.00 N ATOM 475 CA VAL A 715 61.462 -0.044 4.139 1.00 0.00 C ATOM 476 C VAL A 715 60.697 0.275 5.420 1.00 0.00 C ATOM 477 O VAL A 715 61.296 0.648 6.428 1.00 0.00 O ATOM 478 CB VAL A 715 60.966 0.861 3.003 1.00 0.00 C ATOM 479 CG1 VAL A 715 61.105 2.332 3.414 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.797 0.605 1.741 1.00 0.00 C ATOM 0 H VAL A 715 60.809 -1.595 2.881 1.00 0.00 H new ATOM 0 HA VAL A 715 62.523 0.137 4.309 1.00 0.00 H new ATOM 0 HB VAL A 715 59.918 0.639 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.752 2.971 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.511 2.518 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 715 62.152 2.554 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.443 1.249 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.845 0.823 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.694 -0.439 1.443 1.00 0.00 H new ATOM 490 N ILE A 716 59.421 -0.103 5.436 1.00 0.00 N ATOM 491 CA ILE A 716 58.565 0.148 6.591 1.00 0.00 C ATOM 492 C ILE A 716 58.987 -0.730 7.769 1.00 0.00 C ATOM 493 O ILE A 716 59.102 -0.250 8.897 1.00 0.00 O ATOM 494 CB ILE A 716 57.099 -0.133 6.211 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.450 1.144 5.662 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.313 -0.603 7.442 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.238 1.658 4.452 1.00 0.00 C ATOM 0 H ILE A 716 58.959 -0.583 4.664 1.00 0.00 H new ATOM 0 HA ILE A 716 58.665 1.191 6.891 1.00 0.00 H new ATOM 0 HB ILE A 716 57.081 -0.913 5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.418 0.942 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.421 1.909 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.278 -0.798 7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.761 -1.516 7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.340 0.171 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.768 2.565 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.262 1.879 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.244 0.897 3.672 1.00 0.00 H new ATOM 509 N VAL A 717 59.397 -1.960 7.464 1.00 0.00 N ATOM 510 CA VAL A 717 59.767 -2.919 8.502 1.00 0.00 C ATOM 511 C VAL A 717 61.063 -2.491 9.186 1.00 0.00 C ATOM 512 O VAL A 717 61.168 -2.522 10.413 1.00 0.00 O ATOM 513 CB VAL A 717 59.946 -4.313 7.884 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.493 -5.282 8.940 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.596 -4.827 7.371 1.00 0.00 C ATOM 0 H VAL A 717 59.481 -2.314 6.511 1.00 0.00 H new ATOM 0 HA VAL A 717 58.971 -2.951 9.246 1.00 0.00 H new ATOM 0 HB VAL A 717 60.649 -4.248 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.618 -6.270 8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.456 -4.921 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.794 -5.344 9.774 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.726 -5.817 6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.891 -4.887 8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.210 -4.143 6.615 1.00 0.00 H new ATOM 525 N ILE A 718 62.025 -2.038 8.386 1.00 0.00 N ATOM 526 CA ILE A 718 63.296 -1.558 8.920 1.00 0.00 C ATOM 527 C ILE A 718 63.074 -0.349 9.828 1.00 0.00 C ATOM 528 O ILE A 718 63.754 -0.197 10.844 1.00 0.00 O ATOM 529 CB ILE A 718 64.235 -1.180 7.765 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.783 -2.457 7.113 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.403 -0.338 8.295 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.360 -2.127 5.733 1.00 0.00 C ATOM 0 H ILE A 718 61.949 -1.993 7.370 1.00 0.00 H new ATOM 0 HA ILE A 718 63.751 -2.355 9.509 1.00 0.00 H new ATOM 0 HB ILE A 718 63.680 -0.600 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.555 -2.897 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 718 63.989 -3.198 7.018 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.065 -0.074 7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 718 65.017 0.571 8.756 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.959 -0.912 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.748 -3.036 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.577 -1.708 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.167 -1.402 5.840 1.00 0.00 H new ATOM 544 N THR A 719 62.024 0.418 9.540 1.00 0.00 N ATOM 545 CA THR A 719 61.682 1.574 10.365 1.00 0.00 C ATOM 546 C THR A 719 61.125 1.125 11.713 1.00 0.00 C ATOM 547 O THR A 719 61.434 1.714 12.749 1.00 0.00 O ATOM 548 CB THR A 719 60.645 2.444 9.647 1.00 0.00 C ATOM 549 OG1 THR A 719 60.990 2.558 8.274 1.00 0.00 O ATOM 550 CG2 THR A 719 60.616 3.838 10.281 1.00 0.00 C ATOM 0 H THR A 719 61.400 0.262 8.748 1.00 0.00 H new ATOM 0 HA THR A 719 62.589 2.155 10.533 1.00 0.00 H new ATOM 0 HB THR A 719 59.662 1.983 9.739 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.719 1.744 7.800 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.878 4.455 9.769 1.00 0.00 H new ATOM 0 HG22 THR A 719 60.350 3.753 11.335 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.600 4.299 10.191 1.00 0.00 H new ATOM 558 N LEU A 720 60.368 0.029 11.699 1.00 0.00 N ATOM 559 CA LEU A 720 59.755 -0.486 12.921 1.00 0.00 C ATOM 560 C LEU A 720 60.824 -0.922 13.918 1.00 0.00 C ATOM 561 O LEU A 720 60.631 -0.823 15.130 1.00 0.00 O ATOM 562 CB LEU A 720 58.850 -1.680 12.587 1.00 0.00 C ATOM 563 CG LEU A 720 57.373 -1.264 12.652 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.996 -0.908 14.097 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.133 -0.052 11.743 1.00 0.00 C ATOM 0 H LEU A 720 60.166 -0.516 10.861 1.00 0.00 H new ATOM 0 HA LEU A 720 59.161 0.310 13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.085 -2.056 11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.037 -2.494 13.288 1.00 0.00 H new ATOM 0 HG LEU A 720 56.754 -2.095 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.947 -0.614 14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.155 -1.775 14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.618 -0.082 14.442 1.00 0.00 H new ATOM 0 HD21 LEU A 720 56.084 0.238 11.793 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.756 0.779 12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.389 -0.311 10.716 1.00 0.00 H new ATOM 577 N VAL A 721 61.964 -1.375 13.397 1.00 0.00 N ATOM 578 CA VAL A 721 63.085 -1.764 14.247 1.00 0.00 C ATOM 579 C VAL A 721 63.544 -0.584 15.100 1.00 0.00 C ATOM 580 O VAL A 721 63.746 -0.728 16.307 1.00 0.00 O ATOM 581 CB VAL A 721 64.251 -2.261 13.383 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.429 -2.655 14.282 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.807 -3.479 12.565 1.00 0.00 C ATOM 0 H VAL A 721 62.134 -1.481 12.397 1.00 0.00 H new ATOM 0 HA VAL A 721 62.756 -2.567 14.906 1.00 0.00 H new ATOM 0 HB VAL A 721 64.560 -1.463 12.708 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.256 -3.008 13.665 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.751 -1.789 14.860 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.119 -3.449 14.961 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.638 -3.829 11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.493 -4.275 13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.974 -3.200 11.920 1.00 0.00 H new ATOM 593 N MET A 722 63.497 0.612 14.516 1.00 0.00 N ATOM 594 CA MET A 722 63.934 1.814 15.220 1.00 0.00 C ATOM 595 C MET A 722 62.938 2.185 16.315 1.00 0.00 C ATOM 596 O MET A 722 63.333 2.594 17.410 1.00 0.00 O ATOM 597 CB MET A 722 64.074 2.981 14.237 1.00 0.00 C ATOM 598 CG MET A 722 65.088 2.622 13.144 1.00 0.00 C ATOM 599 SD MET A 722 66.544 3.690 13.293 1.00 0.00 S ATOM 600 CE MET A 722 67.772 2.383 13.535 1.00 0.00 C ATOM 0 H MET A 722 63.164 0.773 13.566 1.00 0.00 H new ATOM 0 HA MET A 722 64.902 1.610 15.677 1.00 0.00 H new ATOM 0 HB2 MET A 722 63.107 3.208 13.788 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.398 3.877 14.766 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.381 1.576 13.235 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.635 2.742 12.160 1.00 0.00 H new ATOM 0 HE1 MET A 722 68.760 2.829 13.651 1.00 0.00 H new ATOM 0 HE2 MET A 722 67.524 1.812 14.430 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.772 1.720 12.670 1.00 0.00 H new ATOM 610 N LEU A 723 61.660 1.902 16.070 1.00 0.00 N ATOM 611 CA LEU A 723 60.622 2.155 17.065 1.00 0.00 C ATOM 612 C LEU A 723 60.729 1.160 18.214 1.00 0.00 C ATOM 613 O LEU A 723 60.661 1.543 19.383 1.00 0.00 O ATOM 614 CB LEU A 723 59.236 2.047 16.424 1.00 0.00 C ATOM 615 CG LEU A 723 59.087 3.123 15.344 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.777 2.901 14.581 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.072 4.508 15.999 1.00 0.00 C ATOM 0 H LEU A 723 61.321 1.500 15.196 1.00 0.00 H new ATOM 0 HA LEU A 723 60.762 3.164 17.454 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.102 1.057 15.987 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.463 2.168 17.182 1.00 0.00 H new ATOM 0 HG LEU A 723 59.926 3.061 14.651 1.00 0.00 H new ATOM 0 HD11 LEU A 723 57.670 3.666 13.812 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.790 1.916 14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.938 2.962 15.274 1.00 0.00 H new ATOM 0 HD21 LEU A 723 58.966 5.273 15.230 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.234 4.573 16.693 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.005 4.665 16.540 1.00 0.00 H new