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 USER MOD Single : A 719 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 278 N ALA A 701 43.433 -4.348 -7.147 1.00 0.00 N ATOM 279 CA ALA A 701 44.781 -3.874 -7.455 1.00 0.00 C ATOM 280 C ALA A 701 45.677 -3.952 -6.221 1.00 0.00 C ATOM 281 O ALA A 701 46.903 -4.003 -6.337 1.00 0.00 O ATOM 282 CB ALA A 701 44.724 -2.430 -7.960 1.00 0.00 C ATOM 0 HA ALA A 701 45.201 -4.514 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.732 -2.084 -8.187 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.113 -2.384 -8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.286 -1.793 -7.192 1.00 0.00 H new ATOM 288 N ILE A 702 45.055 -3.992 -5.045 1.00 0.00 N ATOM 289 CA ILE A 702 45.803 -4.063 -3.793 1.00 0.00 C ATOM 290 C ILE A 702 46.607 -5.361 -3.719 1.00 0.00 C ATOM 291 O ILE A 702 47.780 -5.349 -3.344 1.00 0.00 O ATOM 292 CB ILE A 702 44.836 -3.975 -2.603 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.469 -2.506 -2.358 1.00 0.00 C ATOM 294 CG2 ILE A 702 45.496 -4.552 -1.345 1.00 0.00 C ATOM 295 CD1 ILE A 702 43.286 -2.419 -1.390 1.00 0.00 C ATOM 0 H ILE A 702 44.041 -3.977 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 702 46.498 -3.224 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 702 43.937 -4.549 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 702 45.326 -1.972 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 702 44.214 -2.023 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 702 44.802 -4.485 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 702 45.757 -5.596 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.398 -3.986 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 702 43.031 -1.373 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 702 42.428 -2.937 -1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 702 43.556 -2.885 -0.442 1.00 0.00 H new ATOM 307 N ILE A 703 46.002 -6.459 -4.171 1.00 0.00 N ATOM 308 CA ILE A 703 46.677 -7.756 -4.147 1.00 0.00 C ATOM 309 C ILE A 703 47.915 -7.727 -5.041 1.00 0.00 C ATOM 310 O ILE A 703 48.917 -8.375 -4.739 1.00 0.00 O ATOM 311 CB ILE A 703 45.719 -8.871 -4.607 1.00 0.00 C ATOM 312 CG1 ILE A 703 45.737 -8.984 -6.139 1.00 0.00 C ATOM 313 CG2 ILE A 703 44.296 -8.560 -4.127 1.00 0.00 C ATOM 314 CD1 ILE A 703 44.556 -9.837 -6.613 1.00 0.00 C ATOM 0 H ILE A 703 45.057 -6.477 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 703 46.987 -7.963 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 703 46.046 -9.819 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 703 45.683 -7.991 -6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 703 46.675 -9.431 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 703 43.621 -9.351 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 703 44.284 -8.500 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 703 43.970 -7.608 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 703 44.575 -9.913 -7.700 1.00 0.00 H new ATOM 0 HD12 ILE A 703 44.630 -10.834 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 703 43.622 -9.372 -6.298 1.00 0.00 H new ATOM 326 N GLY A 704 47.917 -6.801 -5.998 1.00 0.00 N ATOM 327 CA GLY A 704 49.051 -6.645 -6.902 1.00 0.00 C ATOM 328 C GLY A 704 50.226 -5.972 -6.197 1.00 0.00 C ATOM 329 O GLY A 704 51.371 -6.401 -6.337 1.00 0.00 O ATOM 0 H GLY A 704 47.149 -6.151 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.358 -7.621 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.753 -6.051 -7.766 1.00 0.00 H new ATOM 333 N LEU A 705 49.924 -4.971 -5.372 1.00 0.00 N ATOM 334 CA LEU A 705 50.954 -4.315 -4.571 1.00 0.00 C ATOM 335 C LEU A 705 51.457 -5.242 -3.469 1.00 0.00 C ATOM 336 O LEU A 705 52.582 -5.093 -2.991 1.00 0.00 O ATOM 337 CB LEU A 705 50.395 -3.034 -3.943 1.00 0.00 C ATOM 338 CG LEU A 705 50.044 -2.024 -5.041 1.00 0.00 C ATOM 339 CD1 LEU A 705 49.328 -0.824 -4.415 1.00 0.00 C ATOM 340 CD2 LEU A 705 51.325 -1.549 -5.738 1.00 0.00 C ATOM 0 H LEU A 705 48.983 -4.600 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 705 51.787 -4.066 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 705 49.508 -3.265 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 705 51.128 -2.603 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 705 49.392 -2.499 -5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 705 49.077 -0.104 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 705 48.415 -1.161 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 705 49.982 -0.352 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 705 51.070 -0.831 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 705 51.982 -1.075 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 705 51.835 -2.403 -6.184 1.00 0.00 H new ATOM 352 N MET A 706 50.607 -6.174 -3.044 1.00 0.00 N ATOM 353 CA MET A 706 50.951 -7.051 -1.930 1.00 0.00 C ATOM 354 C MET A 706 52.161 -7.914 -2.279 1.00 0.00 C ATOM 355 O MET A 706 53.154 -7.922 -1.551 1.00 0.00 O ATOM 356 CB MET A 706 49.761 -7.949 -1.577 1.00 0.00 C ATOM 357 CG MET A 706 50.152 -8.890 -0.435 1.00 0.00 C ATOM 358 SD MET A 706 50.867 -10.405 -1.119 1.00 0.00 S ATOM 359 CE MET A 706 50.635 -11.443 0.343 1.00 0.00 C ATOM 0 H MET A 706 49.686 -6.340 -3.449 1.00 0.00 H new ATOM 0 HA MET A 706 51.199 -6.430 -1.070 1.00 0.00 H new ATOM 0 HB2 MET A 706 48.906 -7.339 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 706 49.456 -8.526 -2.450 1.00 0.00 H new ATOM 0 HG2 MET A 706 50.870 -8.401 0.223 1.00 0.00 H new ATOM 0 HG3 MET A 706 49.277 -9.129 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 706 51.014 -12.445 0.142 1.00 0.00 H new ATOM 0 HE2 MET A 706 51.177 -11.012 1.185 1.00 0.00 H new ATOM 0 HE3 MET A 706 49.574 -11.498 0.585 1.00 0.00 H new ATOM 369 N VAL A 707 52.135 -8.508 -3.471 1.00 0.00 N ATOM 370 CA VAL A 707 53.209 -9.406 -3.891 1.00 0.00 C ATOM 371 C VAL A 707 54.479 -8.612 -4.187 1.00 0.00 C ATOM 372 O VAL A 707 55.577 -9.029 -3.817 1.00 0.00 O ATOM 373 CB VAL A 707 52.786 -10.203 -5.137 1.00 0.00 C ATOM 374 CG1 VAL A 707 51.311 -10.601 -5.021 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.986 -9.356 -6.398 1.00 0.00 C ATOM 0 H VAL A 707 51.390 -8.386 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 707 53.411 -10.105 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 707 53.402 -11.100 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 707 51.016 -11.165 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 707 51.169 -11.217 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 707 50.697 -9.704 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.683 -9.930 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 707 52.380 -8.453 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 707 54.037 -9.082 -6.489 1.00 0.00 H new ATOM 385 N GLY A 708 54.295 -7.381 -4.660 1.00 0.00 N ATOM 386 CA GLY A 708 55.420 -6.491 -4.923 1.00 0.00 C ATOM 387 C GLY A 708 55.732 -5.629 -3.703 1.00 0.00 C ATOM 388 O GLY A 708 56.608 -4.765 -3.756 1.00 0.00 O ATOM 0 H GLY A 708 53.381 -6.980 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.298 -7.078 -5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.191 -5.852 -5.776 1.00 0.00 H new ATOM 392 N GLY A 709 55.155 -6.003 -2.563 1.00 0.00 N ATOM 393 CA GLY A 709 55.430 -5.308 -1.309 1.00 0.00 C ATOM 394 C GLY A 709 56.729 -5.804 -0.681 1.00 0.00 C ATOM 395 O GLY A 709 57.041 -5.467 0.461 1.00 0.00 O ATOM 0 H GLY A 709 54.498 -6.779 -2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.496 -4.235 -1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.604 -5.463 -0.615 1.00 0.00 H new ATOM 399 N VAL A 710 57.518 -6.538 -1.461 1.00 0.00 N ATOM 400 CA VAL A 710 58.763 -7.114 -0.960 1.00 0.00 C ATOM 401 C VAL A 710 59.782 -6.017 -0.661 1.00 0.00 C ATOM 402 O VAL A 710 60.390 -6.002 0.411 1.00 0.00 O ATOM 403 CB VAL A 710 59.337 -8.093 -1.994 1.00 0.00 C ATOM 404 CG1 VAL A 710 59.578 -7.367 -3.323 1.00 0.00 C ATOM 405 CG2 VAL A 710 60.662 -8.671 -1.480 1.00 0.00 C ATOM 0 H VAL A 710 57.319 -6.748 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 710 58.550 -7.650 -0.035 1.00 0.00 H new ATOM 0 HB VAL A 710 58.624 -8.902 -2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 710 59.985 -8.068 -4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 710 58.635 -6.965 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.285 -6.552 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 710 61.066 -9.365 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 710 61.373 -7.861 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 710 60.489 -9.198 -0.541 1.00 0.00 H new ATOM 415 N VAL A 711 59.831 -5.013 -1.533 1.00 0.00 N ATOM 416 CA VAL A 711 60.753 -3.897 -1.352 1.00 0.00 C ATOM 417 C VAL A 711 60.245 -2.957 -0.264 1.00 0.00 C ATOM 418 O VAL A 711 60.971 -2.640 0.678 1.00 0.00 O ATOM 419 CB VAL A 711 60.905 -3.127 -2.670 1.00 0.00 C ATOM 420 CG1 VAL A 711 61.983 -2.048 -2.515 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.310 -4.094 -3.788 1.00 0.00 C ATOM 0 H VAL A 711 59.247 -4.950 -2.367 1.00 0.00 H new ATOM 0 HA VAL A 711 61.723 -4.293 -1.050 1.00 0.00 H new ATOM 0 HB VAL A 711 59.954 -2.657 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.089 -1.502 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 711 61.694 -1.356 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 711 62.933 -2.517 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.417 -3.544 -4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 711 62.259 -4.567 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.542 -4.859 -3.903 1.00 0.00 H new ATOM 431 N ILE A 712 58.941 -2.690 -0.293 1.00 0.00 N ATOM 432 CA ILE A 712 58.338 -1.756 0.654 1.00 0.00 C ATOM 433 C ILE A 712 58.298 -2.367 2.054 1.00 0.00 C ATOM 434 O ILE A 712 58.485 -1.665 3.047 1.00 0.00 O ATOM 435 CB ILE A 712 56.914 -1.399 0.205 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.937 -0.915 -1.251 1.00 0.00 C ATOM 437 CG2 ILE A 712 56.353 -0.290 1.106 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.503 -0.693 -1.743 1.00 0.00 C ATOM 0 H ILE A 712 58.286 -3.104 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 712 58.945 -0.851 0.682 1.00 0.00 H new ATOM 0 HB ILE A 712 56.281 -2.283 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 712 57.506 0.012 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.438 -1.650 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 712 55.342 -0.038 0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 712 56.331 -0.637 2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.988 0.593 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.522 -0.349 -2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 712 54.948 -1.629 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 712 55.017 0.058 -1.120 1.00 0.00 H new ATOM 450 N ALA A 713 58.237 -3.695 2.108 1.00 0.00 N ATOM 451 CA ALA A 713 58.256 -4.405 3.384 1.00 0.00 C ATOM 452 C ALA A 713 59.538 -4.098 4.149 1.00 0.00 C ATOM 453 O ALA A 713 59.490 -3.543 5.246 1.00 0.00 O ATOM 454 CB ALA A 713 58.152 -5.914 3.146 1.00 0.00 C ATOM 0 H ALA A 713 58.174 -4.298 1.288 1.00 0.00 H new ATOM 0 HA ALA A 713 57.403 -4.071 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 713 58.167 -6.435 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 713 57.220 -6.137 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.995 -6.246 2.539 1.00 0.00 H new ATOM 460 N THR A 714 60.669 -4.237 3.459 1.00 0.00 N ATOM 461 CA THR A 714 61.969 -4.001 4.078 1.00 0.00 C ATOM 462 C THR A 714 62.086 -2.553 4.543 1.00 0.00 C ATOM 463 O THR A 714 62.417 -2.294 5.700 1.00 0.00 O ATOM 464 CB THR A 714 63.085 -4.312 3.076 1.00 0.00 C ATOM 465 OG1 THR A 714 62.967 -5.658 2.642 1.00 0.00 O ATOM 466 CG2 THR A 714 64.449 -4.109 3.742 1.00 0.00 C ATOM 0 H THR A 714 60.710 -4.510 2.477 1.00 0.00 H new ATOM 0 HA THR A 714 62.065 -4.656 4.944 1.00 0.00 H new ATOM 0 HB THR A 714 62.999 -3.642 2.220 1.00 0.00 H new ATOM 0 HG1 THR A 714 63.679 -5.858 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 714 65.240 -4.331 3.026 1.00 0.00 H new ATOM 0 HG22 THR A 714 64.541 -3.075 4.075 1.00 0.00 H new ATOM 0 HG23 THR A 714 64.538 -4.776 4.600 1.00 0.00 H new ATOM 474 N VAL A 715 61.596 -1.637 3.711 1.00 0.00 N ATOM 475 CA VAL A 715 61.621 -0.217 4.048 1.00 0.00 C ATOM 476 C VAL A 715 60.902 0.030 5.371 1.00 0.00 C ATOM 477 O VAL A 715 61.469 0.626 6.287 1.00 0.00 O ATOM 478 CB VAL A 715 60.947 0.595 2.935 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.932 2.079 3.319 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.720 0.413 1.623 1.00 0.00 C ATOM 0 H VAL A 715 61.180 -1.851 2.805 1.00 0.00 H new ATOM 0 HA VAL A 715 62.660 0.098 4.148 1.00 0.00 H new ATOM 0 HB VAL A 715 59.923 0.244 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.453 2.655 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.378 2.209 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.955 2.430 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.239 0.991 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.745 0.760 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.726 -0.642 1.348 1.00 0.00 H new ATOM 490 N ILE A 716 59.764 -0.640 5.543 1.00 0.00 N ATOM 491 CA ILE A 716 58.973 -0.493 6.760 1.00 0.00 C ATOM 492 C ILE A 716 59.638 -1.221 7.924 1.00 0.00 C ATOM 493 O ILE A 716 59.583 -0.763 9.065 1.00 0.00 O ATOM 494 CB ILE A 716 57.563 -1.055 6.537 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.828 -0.199 5.497 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.786 -1.035 7.859 1.00 0.00 C ATOM 497 CD1 ILE A 716 55.642 -0.983 4.931 1.00 0.00 C ATOM 0 H ILE A 716 59.372 -1.286 4.858 1.00 0.00 H new ATOM 0 HA ILE A 716 58.907 0.567 7.003 1.00 0.00 H new ATOM 0 HB ILE A 716 57.636 -2.081 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 716 56.480 0.727 5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 716 57.510 0.079 4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.785 -1.435 7.699 1.00 0.00 H new ATOM 0 HG22 ILE A 716 57.307 -1.646 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.714 -0.010 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 716 55.122 -0.373 4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 716 56.002 -1.897 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 716 54.956 -1.239 5.739 1.00 0.00 H new ATOM 509 N VAL A 717 60.271 -2.354 7.628 1.00 0.00 N ATOM 510 CA VAL A 717 60.923 -3.155 8.663 1.00 0.00 C ATOM 511 C VAL A 717 62.009 -2.342 9.360 1.00 0.00 C ATOM 512 O VAL A 717 61.983 -2.181 10.581 1.00 0.00 O ATOM 513 CB VAL A 717 61.540 -4.415 8.041 1.00 0.00 C ATOM 514 CG1 VAL A 717 62.372 -5.157 9.093 1.00 0.00 C ATOM 515 CG2 VAL A 717 60.427 -5.335 7.529 1.00 0.00 C ATOM 0 H VAL A 717 60.347 -2.737 6.686 1.00 0.00 H new ATOM 0 HA VAL A 717 60.174 -3.446 9.399 1.00 0.00 H new ATOM 0 HB VAL A 717 62.183 -4.126 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 717 62.808 -6.051 8.647 1.00 0.00 H new ATOM 0 HG12 VAL A 717 63.168 -4.505 9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 717 61.732 -5.443 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 717 60.868 -6.229 7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 717 59.781 -5.621 8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 717 59.839 -4.811 6.775 1.00 0.00 H new ATOM 525 N ILE A 718 62.844 -1.685 8.560 1.00 0.00 N ATOM 526 CA ILE A 718 63.923 -0.863 9.099 1.00 0.00 C ATOM 527 C ILE A 718 63.353 0.328 9.871 1.00 0.00 C ATOM 528 O ILE A 718 63.891 0.713 10.909 1.00 0.00 O ATOM 529 CB ILE A 718 64.822 -0.376 7.949 1.00 0.00 C ATOM 530 CG1 ILE A 718 65.930 -1.406 7.689 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.463 0.970 8.310 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.319 -2.711 7.170 1.00 0.00 C ATOM 0 H ILE A 718 62.795 -1.705 7.541 1.00 0.00 H new ATOM 0 HA ILE A 718 64.518 -1.462 9.788 1.00 0.00 H new ATOM 0 HB ILE A 718 64.211 -0.255 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 718 66.640 -1.013 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 718 66.486 -1.595 8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 718 66.097 1.303 7.488 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.682 1.709 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 718 66.067 0.856 9.210 1.00 0.00 H new ATOM 0 HD11 ILE A 718 66.112 -3.437 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.626 -3.109 7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 718 64.784 -2.518 6.240 1.00 0.00 H new ATOM 544 N THR A 719 62.177 0.792 9.454 1.00 0.00 N ATOM 545 CA THR A 719 61.478 1.846 10.182 1.00 0.00 C ATOM 546 C THR A 719 60.900 1.303 11.486 1.00 0.00 C ATOM 547 O THR A 719 61.061 1.911 12.546 1.00 0.00 O ATOM 548 CB THR A 719 60.346 2.418 9.322 1.00 0.00 C ATOM 549 OG1 THR A 719 60.811 2.604 7.992 1.00 0.00 O ATOM 550 CG2 THR A 719 59.891 3.766 9.896 1.00 0.00 C ATOM 0 H THR A 719 61.692 0.457 8.622 1.00 0.00 H new ATOM 0 HA THR A 719 62.193 2.636 10.412 1.00 0.00 H new ATOM 0 HB THR A 719 59.506 1.723 9.323 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.800 1.746 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 719 59.086 4.170 9.282 1.00 0.00 H new ATOM 0 HG22 THR A 719 59.534 3.625 10.916 1.00 0.00 H new ATOM 0 HG23 THR A 719 60.730 4.462 9.898 1.00 0.00 H new ATOM 558 N LEU A 720 60.383 0.079 11.427 1.00 0.00 N ATOM 559 CA LEU A 720 59.782 -0.551 12.597 1.00 0.00 C ATOM 560 C LEU A 720 60.834 -0.788 13.678 1.00 0.00 C ATOM 561 O LEU A 720 60.553 -0.645 14.868 1.00 0.00 O ATOM 562 CB LEU A 720 59.146 -1.893 12.193 1.00 0.00 C ATOM 563 CG LEU A 720 57.616 -1.830 12.338 1.00 0.00 C ATOM 564 CD1 LEU A 720 57.238 -1.757 13.820 1.00 0.00 C ATOM 565 CD2 LEU A 720 57.065 -0.603 11.599 1.00 0.00 C ATOM 0 H LEU A 720 60.368 -0.494 10.584 1.00 0.00 H new ATOM 0 HA LEU A 720 59.015 0.113 12.995 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.410 -2.132 11.163 1.00 0.00 H new ATOM 0 HB3 LEU A 720 59.544 -2.693 12.817 1.00 0.00 H new ATOM 0 HG LEU A 720 57.182 -2.729 11.901 1.00 0.00 H new ATOM 0 HD11 LEU A 720 56.153 -1.713 13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.612 -2.642 14.335 1.00 0.00 H new ATOM 0 HD13 LEU A 720 57.679 -0.865 14.264 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.981 -0.569 11.709 1.00 0.00 H new ATOM 0 HD22 LEU A 720 57.501 0.302 12.021 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.321 -0.670 10.542 1.00 0.00 H new ATOM 577 N VAL A 721 62.074 -1.011 13.247 1.00 0.00 N ATOM 578 CA VAL A 721 63.167 -1.251 14.183 1.00 0.00 C ATOM 579 C VAL A 721 63.406 -0.017 15.050 1.00 0.00 C ATOM 580 O VAL A 721 63.612 -0.136 16.259 1.00 0.00 O ATOM 581 CB VAL A 721 64.447 -1.603 13.412 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.645 -1.608 14.368 1.00 0.00 C ATOM 583 CG2 VAL A 721 64.297 -2.990 12.776 1.00 0.00 C ATOM 0 H VAL A 721 62.344 -1.030 12.264 1.00 0.00 H new ATOM 0 HA VAL A 721 62.896 -2.086 14.830 1.00 0.00 H new ATOM 0 HB VAL A 721 64.611 -0.859 12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.550 -1.858 13.815 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.756 -0.621 14.818 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.482 -2.348 15.152 1.00 0.00 H new ATOM 0 HG21 VAL A 721 65.206 -3.240 12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 721 64.128 -3.732 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 721 63.450 -2.986 12.090 1.00 0.00 H new ATOM 593 N MET A 722 63.164 1.157 14.474 1.00 0.00 N ATOM 594 CA MET A 722 63.513 2.409 15.138 1.00 0.00 C ATOM 595 C MET A 722 62.501 2.732 16.236 1.00 0.00 C ATOM 596 O MET A 722 62.850 3.342 17.250 1.00 0.00 O ATOM 597 CB MET A 722 63.545 3.554 14.119 1.00 0.00 C ATOM 598 CG MET A 722 64.729 3.372 13.163 1.00 0.00 C ATOM 599 SD MET A 722 64.801 4.779 12.025 1.00 0.00 S ATOM 600 CE MET A 722 66.078 4.123 10.922 1.00 0.00 C ATOM 0 H MET A 722 62.731 1.268 13.557 1.00 0.00 H new ATOM 0 HA MET A 722 64.500 2.296 15.587 1.00 0.00 H new ATOM 0 HB2 MET A 722 62.612 3.577 13.556 1.00 0.00 H new ATOM 0 HB3 MET A 722 63.628 4.510 14.636 1.00 0.00 H new ATOM 0 HG2 MET A 722 65.659 3.298 13.727 1.00 0.00 H new ATOM 0 HG3 MET A 722 64.620 2.443 12.604 1.00 0.00 H new ATOM 0 HE1 MET A 722 66.281 4.845 10.131 1.00 0.00 H new ATOM 0 HE2 MET A 722 66.990 3.940 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 722 65.732 3.188 10.480 1.00 0.00 H new ATOM 610 N LEU A 723 61.245 2.334 16.017 1.00 0.00 N ATOM 611 CA LEU A 723 60.190 2.554 17.003 1.00 0.00 C ATOM 612 C LEU A 723 60.576 1.955 18.353 1.00 0.00 C ATOM 613 O LEU A 723 60.319 2.552 19.399 1.00 0.00 O ATOM 614 CB LEU A 723 58.879 1.923 16.517 1.00 0.00 C ATOM 615 CG LEU A 723 58.320 2.734 15.341 1.00 0.00 C ATOM 616 CD1 LEU A 723 57.118 2.004 14.741 1.00 0.00 C ATOM 617 CD2 LEU A 723 57.884 4.121 15.826 1.00 0.00 C ATOM 0 H LEU A 723 60.937 1.860 15.168 1.00 0.00 H new ATOM 0 HA LEU A 723 60.054 3.629 17.124 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.052 0.892 16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.154 1.896 17.330 1.00 0.00 H new ATOM 0 HG LEU A 723 59.095 2.845 14.583 1.00 0.00 H new ATOM 0 HD11 LEU A 723 56.722 2.581 13.906 1.00 0.00 H new ATOM 0 HD12 LEU A 723 57.429 1.021 14.388 1.00 0.00 H new ATOM 0 HD13 LEU A 723 56.346 1.889 15.501 1.00 0.00 H new ATOM 0 HD21 LEU A 723 57.488 4.692 14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 723 57.112 4.014 16.588 1.00 0.00 H new ATOM 0 HD23 LEU A 723 58.741 4.645 16.249 1.00 0.00 H new