USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 447 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 Set 1.1: A 49 ASN :FLIP amide:sc= -0.874 F(o=-1.6,f=-1) USER MOD Set 1.2: A 52 MET CE :methyl -151:sc= -0.144 (180deg=-0.614) USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.21 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= 0.0979 K(o=0.098,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0549 F(o=-1.8!,f=-0.055) USER MOD Single : A 51 MET CE :methyl 168:sc= -0.0441 (180deg=-0.291) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0276 (180deg=-0.211) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 61 GLN : amide:sc= -0.0711 X(o=-0.071,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 6.588 -7.220 12.026 1.00 11.00 N ATOM 330 CA LEU A 21 7.401 -6.346 11.152 1.00 13.50 C ATOM 331 C LEU A 21 8.229 -7.104 10.088 1.00 45.53 C ATOM 332 O LEU A 21 9.367 -7.524 10.329 1.00 55.02 O ATOM 333 CB LEU A 21 8.322 -5.436 12.012 1.00 51.42 C ATOM 334 CG LEU A 21 7.601 -4.376 12.903 1.00 72.22 C ATOM 335 CD1 LEU A 21 8.611 -3.596 13.773 1.00 4.14 C ATOM 336 CD2 LEU A 21 6.748 -3.408 12.043 1.00 55.24 C ATOM 0 HA LEU A 21 6.691 -5.738 10.592 1.00 13.50 H new ATOM 0 HB2 LEU A 21 8.927 -6.072 12.658 1.00 51.42 H new ATOM 0 HB3 LEU A 21 9.008 -4.914 11.345 1.00 51.42 H new ATOM 0 HG LEU A 21 6.928 -4.912 13.572 1.00 72.22 H new ATOM 0 HD11 LEU A 21 8.079 -2.865 14.382 1.00 4.14 H new ATOM 0 HD12 LEU A 21 9.144 -4.290 14.422 1.00 4.14 H new ATOM 0 HD13 LEU A 21 9.324 -3.081 13.129 1.00 4.14 H new ATOM 0 HD21 LEU A 21 6.258 -2.681 12.691 1.00 55.24 H new ATOM 0 HD22 LEU A 21 7.392 -2.887 11.335 1.00 55.24 H new ATOM 0 HD23 LEU A 21 5.993 -3.975 11.498 1.00 55.24 H new ATOM 348 N THR A 22 7.600 -7.299 8.926 1.00 64.25 N ATOM 349 CA THR A 22 8.277 -7.743 7.692 1.00 44.12 C ATOM 350 C THR A 22 9.041 -6.563 7.057 1.00 3.53 C ATOM 351 O THR A 22 8.816 -5.409 7.430 1.00 75.30 O ATOM 352 CB THR A 22 7.243 -8.298 6.653 1.00 53.04 C ATOM 353 OG1 THR A 22 6.350 -7.248 6.230 1.00 14.42 O ATOM 354 CG2 THR A 22 6.419 -9.462 7.228 1.00 63.01 C ATOM 0 H THR A 22 6.597 -7.153 8.808 1.00 64.25 H new ATOM 0 HA THR A 22 8.973 -8.538 7.958 1.00 44.12 H new ATOM 0 HB THR A 22 7.811 -8.671 5.801 1.00 53.04 H new ATOM 0 HG1 THR A 22 5.538 -7.643 5.849 1.00 14.42 H new ATOM 0 HG21 THR A 22 5.715 -9.816 6.475 1.00 63.01 H new ATOM 0 HG22 THR A 22 7.087 -10.275 7.512 1.00 63.01 H new ATOM 0 HG23 THR A 22 5.870 -9.121 8.106 1.00 63.01 H new ATOM 362 N ARG A 23 9.928 -6.845 6.082 1.00 25.53 N ATOM 363 CA ARG A 23 10.625 -5.785 5.305 1.00 71.14 C ATOM 364 C ARG A 23 9.616 -4.954 4.464 1.00 53.02 C ATOM 365 O ARG A 23 9.879 -3.795 4.131 1.00 62.25 O ATOM 366 CB ARG A 23 11.751 -6.392 4.425 1.00 23.21 C ATOM 367 CG ARG A 23 12.638 -5.357 3.688 1.00 11.32 C ATOM 368 CD ARG A 23 13.892 -5.987 3.049 1.00 13.30 C ATOM 369 NE ARG A 23 14.803 -6.549 4.063 1.00 74.41 N ATOM 370 CZ ARG A 23 15.938 -7.169 3.812 1.00 44.25 C ATOM 371 NH1 ARG A 23 16.332 -7.408 2.598 1.00 30.01 N ATOM 372 NH2 ARG A 23 16.666 -7.572 4.796 1.00 43.10 N ATOM 0 H ARG A 23 10.183 -7.794 5.810 1.00 25.53 H new ATOM 0 HA ARG A 23 11.097 -5.100 6.010 1.00 71.14 H new ATOM 0 HB2 ARG A 23 12.389 -7.012 5.055 1.00 23.21 H new ATOM 0 HB3 ARG A 23 11.297 -7.051 3.685 1.00 23.21 H new ATOM 0 HG2 ARG A 23 12.048 -4.868 2.913 1.00 11.32 H new ATOM 0 HG3 ARG A 23 12.945 -4.583 4.391 1.00 11.32 H new ATOM 0 HD2 ARG A 23 13.591 -6.773 2.356 1.00 13.30 H new ATOM 0 HD3 ARG A 23 14.420 -5.233 2.465 1.00 13.30 H new ATOM 0 HE ARG A 23 14.532 -6.449 5.041 1.00 74.41 H new ATOM 0 HH11 ARG A 23 15.758 -7.114 1.808 1.00 30.01 H new ATOM 0 HH12 ARG A 23 17.216 -7.890 2.434 1.00 30.01 H new ATOM 0 HH21 ARG A 23 16.361 -7.410 5.756 1.00 43.10 H new ATOM 0 HH22 ARG A 23 17.547 -8.053 4.615 1.00 43.10 H new ATOM 386 N ASP A 24 8.447 -5.556 4.166 1.00 34.04 N ATOM 387 CA ASP A 24 7.300 -4.846 3.562 1.00 1.41 C ATOM 388 C ASP A 24 6.714 -3.768 4.530 1.00 24.41 C ATOM 389 O ASP A 24 6.256 -2.709 4.084 1.00 60.41 O ATOM 390 CB ASP A 24 6.204 -5.852 3.157 1.00 60.41 C ATOM 391 CG ASP A 24 6.690 -6.921 2.169 1.00 44.34 C ATOM 392 OD1 ASP A 24 6.705 -6.655 0.948 1.00 42.12 O ATOM 393 OD2 ASP A 24 7.060 -8.028 2.618 1.00 54.32 O ATOM 0 H ASP A 24 8.271 -6.546 4.337 1.00 34.04 H new ATOM 0 HA ASP A 24 7.660 -4.331 2.672 1.00 1.41 H new ATOM 0 HB2 ASP A 24 5.823 -6.343 4.053 1.00 60.41 H new ATOM 0 HB3 ASP A 24 5.370 -5.309 2.712 1.00 60.41 H new ATOM 398 N GLU A 25 6.726 -4.053 5.852 1.00 21.01 N ATOM 399 CA GLU A 25 6.332 -3.062 6.890 1.00 31.23 C ATOM 400 C GLU A 25 7.441 -2.013 7.131 1.00 12.10 C ATOM 401 O GLU A 25 7.147 -0.841 7.386 1.00 22.14 O ATOM 402 CB GLU A 25 5.953 -3.756 8.230 1.00 21.44 C ATOM 403 CG GLU A 25 4.691 -4.647 8.155 1.00 4.24 C ATOM 404 CD GLU A 25 4.114 -5.052 9.529 1.00 4.15 C ATOM 405 OE1 GLU A 25 3.832 -4.156 10.353 1.00 22.03 O ATOM 406 OE2 GLU A 25 3.882 -6.253 9.767 1.00 42.35 O ATOM 0 H GLU A 25 7.003 -4.959 6.229 1.00 21.01 H new ATOM 0 HA GLU A 25 5.451 -2.545 6.509 1.00 31.23 H new ATOM 0 HB2 GLU A 25 6.794 -4.366 8.559 1.00 21.44 H new ATOM 0 HB3 GLU A 25 5.797 -2.990 8.990 1.00 21.44 H new ATOM 0 HG2 GLU A 25 3.921 -4.119 7.593 1.00 4.24 H new ATOM 0 HG3 GLU A 25 4.932 -5.551 7.595 1.00 4.24 H new ATOM 413 N LEU A 26 8.709 -2.445 7.032 1.00 54.14 N ATOM 414 CA LEU A 26 9.887 -1.571 7.257 1.00 1.32 C ATOM 415 C LEU A 26 10.012 -0.475 6.164 1.00 4.45 C ATOM 416 O LEU A 26 10.288 0.689 6.471 1.00 70.30 O ATOM 417 CB LEU A 26 11.179 -2.424 7.324 1.00 2.14 C ATOM 418 CG LEU A 26 11.222 -3.530 8.430 1.00 34.22 C ATOM 419 CD1 LEU A 26 12.544 -4.329 8.383 1.00 5.53 C ATOM 420 CD2 LEU A 26 10.964 -2.950 9.839 1.00 4.13 C ATOM 0 H LEU A 26 8.953 -3.407 6.795 1.00 54.14 H new ATOM 0 HA LEU A 26 9.746 -1.062 8.210 1.00 1.32 H new ATOM 0 HB2 LEU A 26 11.324 -2.903 6.355 1.00 2.14 H new ATOM 0 HB3 LEU A 26 12.024 -1.753 7.478 1.00 2.14 H new ATOM 0 HG LEU A 26 10.410 -4.224 8.216 1.00 34.22 H new ATOM 0 HD11 LEU A 26 12.538 -5.088 9.165 1.00 5.53 H new ATOM 0 HD12 LEU A 26 12.644 -4.811 7.410 1.00 5.53 H new ATOM 0 HD13 LEU A 26 13.384 -3.652 8.540 1.00 5.53 H new ATOM 0 HD21 LEU A 26 11.003 -3.753 10.576 1.00 4.13 H new ATOM 0 HD22 LEU A 26 11.726 -2.207 10.072 1.00 4.13 H new ATOM 0 HD23 LEU A 26 9.980 -2.481 9.865 1.00 4.13 H new ATOM 432 N ARG A 27 9.789 -0.865 4.890 1.00 75.34 N ATOM 433 CA ARG A 27 9.781 0.077 3.737 1.00 40.14 C ATOM 434 C ARG A 27 8.564 1.044 3.807 1.00 24.54 C ATOM 435 O ARG A 27 8.640 2.189 3.357 1.00 4.53 O ATOM 436 CB ARG A 27 9.786 -0.719 2.394 1.00 41.51 C ATOM 437 CG ARG A 27 8.491 -1.512 2.106 1.00 50.44 C ATOM 438 CD ARG A 27 8.617 -2.496 0.925 1.00 60.20 C ATOM 439 NE ARG A 27 9.019 -1.836 -0.328 1.00 13.05 N ATOM 440 CZ ARG A 27 8.853 -2.319 -1.538 1.00 22.24 C ATOM 441 NH1 ARG A 27 8.280 -3.465 -1.749 1.00 64.23 N ATOM 442 NH2 ARG A 27 9.264 -1.630 -2.548 1.00 34.21 N ATOM 0 H ARG A 27 9.610 -1.834 4.627 1.00 75.34 H new ATOM 0 HA ARG A 27 10.684 0.685 3.785 1.00 40.14 H new ATOM 0 HB2 ARG A 27 9.958 -0.021 1.575 1.00 41.51 H new ATOM 0 HB3 ARG A 27 10.626 -1.413 2.402 1.00 41.51 H new ATOM 0 HG2 ARG A 27 8.208 -2.066 3.001 1.00 50.44 H new ATOM 0 HG3 ARG A 27 7.684 -0.810 1.898 1.00 50.44 H new ATOM 0 HD2 ARG A 27 9.347 -3.265 1.176 1.00 60.20 H new ATOM 0 HD3 ARG A 27 7.662 -3.000 0.775 1.00 60.20 H new ATOM 0 HE ARG A 27 9.466 -0.923 -0.249 1.00 13.05 H new ATOM 0 HH11 ARG A 27 7.943 -4.019 -0.962 1.00 64.23 H new ATOM 0 HH12 ARG A 27 8.167 -3.811 -2.702 1.00 64.23 H new ATOM 0 HH21 ARG A 27 9.710 -0.725 -2.400 1.00 34.21 H new ATOM 0 HH22 ARG A 27 9.143 -1.990 -3.494 1.00 34.21 H new ATOM 456 N ALA A 28 7.450 0.554 4.398 1.00 64.10 N ATOM 457 CA ALA A 28 6.219 1.344 4.611 1.00 4.23 C ATOM 458 C ALA A 28 6.435 2.529 5.588 1.00 12.33 C ATOM 459 O ALA A 28 5.779 3.568 5.456 1.00 1.13 O ATOM 460 CB ALA A 28 5.088 0.435 5.100 1.00 64.54 C ATOM 0 H ALA A 28 7.381 -0.404 4.741 1.00 64.10 H new ATOM 0 HA ALA A 28 5.941 1.778 3.651 1.00 4.23 H new ATOM 0 HB1 ALA A 28 4.186 1.027 5.254 1.00 64.54 H new ATOM 0 HB2 ALA A 28 4.893 -0.336 4.355 1.00 64.54 H new ATOM 0 HB3 ALA A 28 5.379 -0.034 6.040 1.00 64.54 H new ATOM 466 N LYS A 29 7.355 2.349 6.562 1.00 71.20 N ATOM 467 CA LYS A 29 7.715 3.403 7.550 1.00 21.41 C ATOM 468 C LYS A 29 8.333 4.656 6.861 1.00 24.20 C ATOM 469 O LYS A 29 8.153 5.784 7.335 1.00 2.21 O ATOM 470 CB LYS A 29 8.722 2.853 8.603 1.00 13.23 C ATOM 471 CG LYS A 29 8.306 1.544 9.308 1.00 63.13 C ATOM 472 CD LYS A 29 6.951 1.634 10.049 1.00 12.10 C ATOM 473 CE LYS A 29 6.592 0.317 10.767 1.00 33.43 C ATOM 474 NZ LYS A 29 5.260 0.391 11.426 1.00 32.33 N ATOM 0 H LYS A 29 7.868 1.477 6.689 1.00 71.20 H new ATOM 0 HA LYS A 29 6.790 3.699 8.046 1.00 21.41 H new ATOM 0 HB2 LYS A 29 9.681 2.690 8.111 1.00 13.23 H new ATOM 0 HB3 LYS A 29 8.879 3.619 9.362 1.00 13.23 H new ATOM 0 HG2 LYS A 29 8.252 0.746 8.568 1.00 63.13 H new ATOM 0 HG3 LYS A 29 9.081 1.265 10.022 1.00 63.13 H new ATOM 0 HD2 LYS A 29 6.990 2.444 10.777 1.00 12.10 H new ATOM 0 HD3 LYS A 29 6.165 1.884 9.336 1.00 12.10 H new ATOM 0 HE2 LYS A 29 6.596 -0.502 10.048 1.00 33.43 H new ATOM 0 HE3 LYS A 29 7.354 0.090 11.513 1.00 33.43 H new ATOM 0 HZ1 LYS A 29 5.055 -0.513 11.897 1.00 32.33 H new ATOM 0 HZ2 LYS A 29 5.263 1.156 12.131 1.00 32.33 H new ATOM 0 HZ3 LYS A 29 4.529 0.582 10.711 1.00 32.33 H new ATOM 488 N ALA A 30 9.045 4.428 5.736 1.00 73.52 N ATOM 489 CA ALA A 30 9.751 5.491 4.978 1.00 53.13 C ATOM 490 C ALA A 30 8.776 6.525 4.351 1.00 11.23 C ATOM 491 O ALA A 30 9.039 7.732 4.374 1.00 60.44 O ATOM 492 CB ALA A 30 10.642 4.857 3.895 1.00 22.53 C ATOM 0 H ALA A 30 9.148 3.500 5.325 1.00 73.52 H new ATOM 0 HA ALA A 30 10.373 6.039 5.686 1.00 53.13 H new ATOM 0 HB1 ALA A 30 11.157 5.642 3.342 1.00 22.53 H new ATOM 0 HB2 ALA A 30 11.376 4.202 4.365 1.00 22.53 H new ATOM 0 HB3 ALA A 30 10.024 4.276 3.210 1.00 22.53 H new ATOM 498 N LEU A 31 7.653 6.035 3.784 1.00 44.02 N ATOM 499 CA LEU A 31 6.593 6.896 3.178 1.00 34.12 C ATOM 500 C LEU A 31 5.378 7.099 4.119 1.00 22.32 C ATOM 501 O LEU A 31 4.437 7.825 3.762 1.00 3.25 O ATOM 502 CB LEU A 31 6.142 6.300 1.813 1.00 41.40 C ATOM 503 CG LEU A 31 7.186 6.419 0.655 1.00 1.21 C ATOM 504 CD1 LEU A 31 6.727 5.670 -0.603 1.00 23.33 C ATOM 505 CD2 LEU A 31 7.480 7.897 0.319 1.00 45.42 C ATOM 0 H LEU A 31 7.448 5.037 3.729 1.00 44.02 H new ATOM 0 HA LEU A 31 7.027 7.883 3.017 1.00 34.12 H new ATOM 0 HB2 LEU A 31 5.902 5.247 1.957 1.00 41.40 H new ATOM 0 HB3 LEU A 31 5.223 6.797 1.504 1.00 41.40 H new ATOM 0 HG LEU A 31 8.106 5.953 1.007 1.00 1.21 H new ATOM 0 HD11 LEU A 31 7.479 5.777 -1.385 1.00 23.33 H new ATOM 0 HD12 LEU A 31 6.594 4.614 -0.369 1.00 23.33 H new ATOM 0 HD13 LEU A 31 5.782 6.087 -0.950 1.00 23.33 H new ATOM 0 HD21 LEU A 31 8.209 7.948 -0.490 1.00 45.42 H new ATOM 0 HD22 LEU A 31 6.559 8.390 0.009 1.00 45.42 H new ATOM 0 HD23 LEU A 31 7.880 8.398 1.201 1.00 45.42 H new ATOM 517 N HIS A 32 5.414 6.457 5.308 1.00 3.32 N ATOM 518 CA HIS A 32 4.362 6.573 6.346 1.00 2.32 C ATOM 519 C HIS A 32 2.974 6.094 5.818 1.00 61.15 C ATOM 520 O HIS A 32 2.028 6.881 5.702 1.00 73.44 O ATOM 521 CB HIS A 32 4.311 8.023 6.935 1.00 25.14 C ATOM 522 CG HIS A 32 3.486 8.172 8.197 1.00 45.43 C ATOM 523 ND1 HIS A 32 2.108 8.220 8.195 1.00 3.05 N ATOM 524 CD2 HIS A 32 3.849 8.271 9.500 1.00 62.11 C ATOM 525 CE1 HIS A 32 1.666 8.344 9.422 1.00 24.41 C ATOM 526 NE2 HIS A 32 2.699 8.378 10.237 1.00 23.30 N ATOM 0 H HIS A 32 6.179 5.839 5.577 1.00 3.32 H new ATOM 0 HA HIS A 32 4.625 5.904 7.165 1.00 2.32 H new ATOM 0 HB2 HIS A 32 5.330 8.350 7.144 1.00 25.14 H new ATOM 0 HB3 HIS A 32 3.910 8.694 6.175 1.00 25.14 H new ATOM 0 HD1 HIS A 32 1.521 8.167 7.363 1.00 3.05 H new ATOM 0 HD2 HIS A 32 4.858 8.266 9.885 1.00 62.11 H new ATOM 0 HE1 HIS A 32 0.629 8.408 9.715 1.00 24.41 H new ATOM 535 N ILE A 33 2.894 4.811 5.422 1.00 63.24 N ATOM 536 CA ILE A 33 1.630 4.190 4.949 1.00 75.14 C ATOM 537 C ILE A 33 0.599 4.052 6.119 1.00 22.12 C ATOM 538 O ILE A 33 0.903 3.419 7.136 1.00 55.13 O ATOM 539 CB ILE A 33 1.912 2.784 4.289 1.00 62.35 C ATOM 540 CG1 ILE A 33 2.885 2.930 3.068 1.00 73.12 C ATOM 541 CG2 ILE A 33 0.601 2.066 3.877 1.00 53.24 C ATOM 542 CD1 ILE A 33 2.367 3.799 1.925 1.00 62.31 C ATOM 0 H ILE A 33 3.692 4.175 5.418 1.00 63.24 H new ATOM 0 HA ILE A 33 1.197 4.845 4.193 1.00 75.14 H new ATOM 0 HB ILE A 33 2.396 2.160 5.040 1.00 62.35 H new ATOM 0 HG12 ILE A 33 3.827 3.348 3.423 1.00 73.12 H new ATOM 0 HG13 ILE A 33 3.104 1.936 2.677 1.00 73.12 H new ATOM 0 HG21 ILE A 33 0.840 1.102 3.427 1.00 53.24 H new ATOM 0 HG22 ILE A 33 -0.021 1.911 4.758 1.00 53.24 H new ATOM 0 HG23 ILE A 33 0.061 2.680 3.156 1.00 53.24 H new ATOM 0 HD11 ILE A 33 3.112 3.837 1.130 1.00 62.31 H new ATOM 0 HD12 ILE A 33 1.442 3.374 1.535 1.00 62.31 H new ATOM 0 HD13 ILE A 33 2.177 4.808 2.292 1.00 62.31 H new ATOM 554 N PRO A 34 -0.641 4.641 5.986 1.00 0.13 N ATOM 555 CA PRO A 34 -1.654 4.671 7.085 1.00 23.54 C ATOM 556 C PRO A 34 -2.479 3.361 7.252 1.00 64.02 C ATOM 557 O PRO A 34 -3.366 3.298 8.109 1.00 64.32 O ATOM 558 CB PRO A 34 -2.555 5.855 6.655 1.00 41.22 C ATOM 559 CG PRO A 34 -2.548 5.793 5.159 1.00 3.24 C ATOM 560 CD PRO A 34 -1.148 5.353 4.769 1.00 0.43 C ATOM 0 HA PRO A 34 -1.185 4.776 8.063 1.00 23.54 H new ATOM 0 HB2 PRO A 34 -3.564 5.753 7.054 1.00 41.22 H new ATOM 0 HB3 PRO A 34 -2.164 6.806 7.017 1.00 41.22 H new ATOM 0 HG2 PRO A 34 -3.295 5.089 4.793 1.00 3.24 H new ATOM 0 HG3 PRO A 34 -2.787 6.764 4.726 1.00 3.24 H new ATOM 0 HD2 PRO A 34 -1.164 4.696 3.899 1.00 0.43 H new ATOM 0 HD3 PRO A 34 -0.518 6.205 4.513 1.00 0.43 H new ATOM 568 N PHE A 35 -2.196 2.334 6.431 1.00 52.32 N ATOM 569 CA PHE A 35 -2.883 1.016 6.511 1.00 55.04 C ATOM 570 C PHE A 35 -1.900 -0.100 6.925 1.00 35.11 C ATOM 571 O PHE A 35 -0.686 0.032 6.703 1.00 15.33 O ATOM 572 CB PHE A 35 -3.518 0.637 5.145 1.00 24.22 C ATOM 573 CG PHE A 35 -4.527 1.649 4.621 1.00 74.12 C ATOM 574 CD1 PHE A 35 -5.662 1.982 5.366 1.00 41.03 C ATOM 575 CD2 PHE A 35 -4.343 2.270 3.394 1.00 33.15 C ATOM 576 CE1 PHE A 35 -6.571 2.906 4.894 1.00 73.33 C ATOM 577 CE2 PHE A 35 -5.247 3.189 2.925 1.00 35.45 C ATOM 578 CZ PHE A 35 -6.364 3.513 3.671 1.00 32.34 C ATOM 0 H PHE A 35 -1.491 2.385 5.696 1.00 52.32 H new ATOM 0 HA PHE A 35 -3.665 1.108 7.265 1.00 55.04 H new ATOM 0 HB2 PHE A 35 -2.723 0.519 4.408 1.00 24.22 H new ATOM 0 HB3 PHE A 35 -4.009 -0.331 5.242 1.00 24.22 H new ATOM 0 HD1 PHE A 35 -5.829 1.510 6.323 1.00 41.03 H new ATOM 0 HD2 PHE A 35 -3.475 2.026 2.799 1.00 33.15 H new ATOM 0 HE1 PHE A 35 -7.443 3.154 5.480 1.00 73.33 H new ATOM 0 HE2 PHE A 35 -5.085 3.662 1.968 1.00 35.45 H new ATOM 0 HZ PHE A 35 -7.073 4.238 3.299 1.00 32.34 H new ATOM 588 N PRO A 36 -2.399 -1.229 7.535 1.00 21.22 N ATOM 589 CA PRO A 36 -1.596 -2.463 7.678 1.00 1.30 C ATOM 590 C PRO A 36 -1.126 -2.987 6.296 1.00 72.32 C ATOM 591 O PRO A 36 -1.926 -3.076 5.354 1.00 10.24 O ATOM 592 CB PRO A 36 -2.568 -3.467 8.363 1.00 22.31 C ATOM 593 CG PRO A 36 -3.587 -2.599 9.040 1.00 72.12 C ATOM 594 CD PRO A 36 -3.744 -1.379 8.154 1.00 3.23 C ATOM 0 HA PRO A 36 -0.685 -2.306 8.255 1.00 1.30 H new ATOM 0 HB2 PRO A 36 -3.033 -4.130 7.633 1.00 22.31 H new ATOM 0 HB3 PRO A 36 -2.045 -4.099 9.081 1.00 22.31 H new ATOM 0 HG2 PRO A 36 -4.535 -3.125 9.153 1.00 72.12 H new ATOM 0 HG3 PRO A 36 -3.258 -2.316 10.040 1.00 72.12 H new ATOM 0 HD2 PRO A 36 -4.519 -1.526 7.402 1.00 3.23 H new ATOM 0 HD3 PRO A 36 -4.022 -0.497 8.730 1.00 3.23 H new ATOM 602 N VAL A 37 0.167 -3.304 6.184 1.00 3.04 N ATOM 603 CA VAL A 37 0.765 -3.832 4.941 1.00 42.34 C ATOM 604 C VAL A 37 0.137 -5.192 4.541 1.00 62.42 C ATOM 605 O VAL A 37 -0.058 -5.467 3.355 1.00 23.12 O ATOM 606 CB VAL A 37 2.317 -3.946 5.107 1.00 62.11 C ATOM 607 CG1 VAL A 37 2.982 -4.660 3.919 1.00 52.23 C ATOM 608 CG2 VAL A 37 2.934 -2.545 5.324 1.00 32.44 C ATOM 0 H VAL A 37 0.834 -3.204 6.949 1.00 3.04 H new ATOM 0 HA VAL A 37 0.551 -3.135 4.130 1.00 42.34 H new ATOM 0 HB VAL A 37 2.508 -4.559 5.988 1.00 62.11 H new ATOM 0 HG11 VAL A 37 4.058 -4.713 4.083 1.00 52.23 H new ATOM 0 HG12 VAL A 37 2.578 -5.668 3.828 1.00 52.23 H new ATOM 0 HG13 VAL A 37 2.782 -4.105 3.002 1.00 52.23 H new ATOM 0 HG21 VAL A 37 4.014 -2.637 5.438 1.00 32.44 H new ATOM 0 HG22 VAL A 37 2.712 -1.913 4.464 1.00 32.44 H new ATOM 0 HG23 VAL A 37 2.511 -2.096 6.223 1.00 32.44 H new ATOM 618 N GLU A 38 -0.203 -6.006 5.556 1.00 52.25 N ATOM 619 CA GLU A 38 -1.004 -7.240 5.384 1.00 44.12 C ATOM 620 C GLU A 38 -2.339 -6.947 4.653 1.00 24.15 C ATOM 621 O GLU A 38 -2.675 -7.601 3.671 1.00 41.53 O ATOM 622 CB GLU A 38 -1.301 -7.868 6.775 1.00 10.51 C ATOM 623 CG GLU A 38 -2.205 -9.125 6.760 1.00 32.21 C ATOM 624 CD GLU A 38 -1.526 -10.389 6.193 1.00 62.14 C ATOM 625 OE1 GLU A 38 -1.375 -10.503 4.955 1.00 70.11 O ATOM 626 OE2 GLU A 38 -1.145 -11.277 6.993 1.00 61.31 O ATOM 0 H GLU A 38 0.069 -5.830 6.523 1.00 52.25 H new ATOM 0 HA GLU A 38 -0.427 -7.937 4.776 1.00 44.12 H new ATOM 0 HB2 GLU A 38 -0.353 -8.129 7.246 1.00 10.51 H new ATOM 0 HB3 GLU A 38 -1.771 -7.111 7.403 1.00 10.51 H new ATOM 0 HG2 GLU A 38 -2.538 -9.331 7.777 1.00 32.21 H new ATOM 0 HG3 GLU A 38 -3.096 -8.910 6.170 1.00 32.21 H new ATOM 633 N LYS A 39 -3.055 -5.919 5.145 1.00 14.41 N ATOM 634 CA LYS A 39 -4.353 -5.478 4.586 1.00 62.14 C ATOM 635 C LYS A 39 -4.224 -5.040 3.105 1.00 44.52 C ATOM 636 O LYS A 39 -5.134 -5.260 2.315 1.00 70.31 O ATOM 637 CB LYS A 39 -4.931 -4.337 5.462 1.00 50.31 C ATOM 638 CG LYS A 39 -6.266 -3.728 4.973 1.00 44.44 C ATOM 639 CD LYS A 39 -6.858 -2.712 5.977 1.00 42.23 C ATOM 640 CE LYS A 39 -8.152 -2.053 5.469 1.00 20.04 C ATOM 641 NZ LYS A 39 -8.831 -1.273 6.535 1.00 15.11 N ATOM 0 H LYS A 39 -2.750 -5.366 5.946 1.00 14.41 H new ATOM 0 HA LYS A 39 -5.041 -6.323 4.601 1.00 62.14 H new ATOM 0 HB2 LYS A 39 -5.075 -4.717 6.473 1.00 50.31 H new ATOM 0 HB3 LYS A 39 -4.190 -3.540 5.524 1.00 50.31 H new ATOM 0 HG2 LYS A 39 -6.107 -3.235 4.014 1.00 44.44 H new ATOM 0 HG3 LYS A 39 -6.986 -4.529 4.804 1.00 44.44 H new ATOM 0 HD2 LYS A 39 -7.060 -3.218 6.921 1.00 42.23 H new ATOM 0 HD3 LYS A 39 -6.118 -1.938 6.182 1.00 42.23 H new ATOM 0 HE2 LYS A 39 -7.920 -1.396 4.630 1.00 20.04 H new ATOM 0 HE3 LYS A 39 -8.828 -2.822 5.095 1.00 20.04 H new ATOM 0 HZ1 LYS A 39 -9.698 -0.845 6.153 1.00 15.11 H new ATOM 0 HZ2 LYS A 39 -9.075 -1.904 7.325 1.00 15.11 H new ATOM 0 HZ3 LYS A 39 -8.195 -0.523 6.875 1.00 15.11 H new ATOM 655 N ILE A 40 -3.073 -4.447 2.745 1.00 35.10 N ATOM 656 CA ILE A 40 -2.765 -4.069 1.345 1.00 31.23 C ATOM 657 C ILE A 40 -2.500 -5.325 0.465 1.00 31.14 C ATOM 658 O ILE A 40 -2.939 -5.384 -0.681 1.00 31.11 O ATOM 659 CB ILE A 40 -1.555 -3.053 1.291 1.00 1.20 C ATOM 660 CG1 ILE A 40 -1.959 -1.722 2.021 1.00 44.31 C ATOM 661 CG2 ILE A 40 -1.073 -2.779 -0.162 1.00 54.02 C ATOM 662 CD1 ILE A 40 -0.930 -0.604 1.996 1.00 52.40 C ATOM 0 H ILE A 40 -2.332 -4.215 3.406 1.00 35.10 H new ATOM 0 HA ILE A 40 -3.639 -3.566 0.931 1.00 31.23 H new ATOM 0 HB ILE A 40 -0.709 -3.505 1.808 1.00 1.20 H new ATOM 0 HG12 ILE A 40 -2.880 -1.350 1.571 1.00 44.31 H new ATOM 0 HG13 ILE A 40 -2.185 -1.957 3.061 1.00 44.31 H new ATOM 0 HG21 ILE A 40 -0.241 -2.075 -0.143 1.00 54.02 H new ATOM 0 HG22 ILE A 40 -0.748 -3.713 -0.620 1.00 54.02 H new ATOM 0 HG23 ILE A 40 -1.892 -2.356 -0.744 1.00 54.02 H new ATOM 0 HD11 ILE A 40 -1.321 0.262 2.530 1.00 52.40 H new ATOM 0 HD12 ILE A 40 -0.012 -0.943 2.476 1.00 52.40 H new ATOM 0 HD13 ILE A 40 -0.718 -0.328 0.963 1.00 52.40 H new ATOM 674 N ILE A 41 -1.793 -6.330 1.022 1.00 41.41 N ATOM 675 CA ILE A 41 -1.564 -7.639 0.342 1.00 32.41 C ATOM 676 C ILE A 41 -2.911 -8.414 0.148 1.00 22.24 C ATOM 677 O ILE A 41 -3.075 -9.173 -0.813 1.00 64.34 O ATOM 678 CB ILE A 41 -0.514 -8.521 1.148 1.00 45.34 C ATOM 679 CG1 ILE A 41 0.870 -7.786 1.235 1.00 33.43 C ATOM 680 CG2 ILE A 41 -0.343 -9.940 0.537 1.00 54.43 C ATOM 681 CD1 ILE A 41 1.923 -8.479 2.097 1.00 52.04 C ATOM 0 H ILE A 41 -1.365 -6.267 1.946 1.00 41.41 H new ATOM 0 HA ILE A 41 -1.148 -7.436 -0.645 1.00 32.41 H new ATOM 0 HB ILE A 41 -0.910 -8.652 2.155 1.00 45.34 H new ATOM 0 HG12 ILE A 41 1.267 -7.673 0.226 1.00 33.43 H new ATOM 0 HG13 ILE A 41 0.706 -6.782 1.627 1.00 33.43 H new ATOM 0 HG21 ILE A 41 0.384 -10.503 1.122 1.00 54.43 H new ATOM 0 HG22 ILE A 41 -1.301 -10.460 0.551 1.00 54.43 H new ATOM 0 HG23 ILE A 41 0.008 -9.853 -0.491 1.00 54.43 H new ATOM 0 HD11 ILE A 41 2.841 -7.892 2.092 1.00 52.04 H new ATOM 0 HD12 ILE A 41 1.555 -8.568 3.119 1.00 52.04 H new ATOM 0 HD13 ILE A 41 2.125 -9.472 1.696 1.00 52.04 H new ATOM 693 N ASN A 42 -3.876 -8.184 1.062 1.00 51.13 N ATOM 694 CA ASN A 42 -5.201 -8.855 1.042 1.00 72.25 C ATOM 695 C ASN A 42 -6.213 -8.146 0.101 1.00 13.35 C ATOM 696 O ASN A 42 -6.997 -8.812 -0.585 1.00 13.44 O ATOM 697 CB ASN A 42 -5.774 -8.947 2.485 1.00 64.30 C ATOM 698 CG ASN A 42 -5.047 -9.950 3.402 1.00 20.52 C ATOM 699 OD1 ASN A 42 -3.739 -10.085 3.273 1.00 33.21 O flip ATOM 700 ND2 ASN A 42 -5.667 -10.590 4.244 1.00 62.02 N flip ATOM 0 H ASN A 42 -3.763 -7.529 1.836 1.00 51.13 H new ATOM 0 HA ASN A 42 -5.050 -9.859 0.645 1.00 72.25 H new ATOM 0 HB2 ASN A 42 -5.730 -7.959 2.943 1.00 64.30 H new ATOM 0 HB3 ASN A 42 -6.826 -9.225 2.427 1.00 64.30 H new ATOM 0 HD21 ASN A 42 -6.677 -10.474 4.331 1.00 62.02 H new ATOM 0 HD22 ASN A 42 -5.173 -11.238 4.858 1.00 62.02 H new ATOM 707 N LEU A 43 -6.207 -6.802 0.096 1.00 60.20 N ATOM 708 CA LEU A 43 -7.120 -5.996 -0.749 1.00 32.31 C ATOM 709 C LEU A 43 -6.617 -5.930 -2.216 1.00 35.21 C ATOM 710 O LEU A 43 -5.468 -5.552 -2.446 1.00 33.05 O ATOM 711 CB LEU A 43 -7.270 -4.553 -0.182 1.00 65.14 C ATOM 712 CG LEU A 43 -8.070 -4.415 1.154 1.00 12.44 C ATOM 713 CD1 LEU A 43 -8.072 -2.953 1.662 1.00 62.21 C ATOM 714 CD2 LEU A 43 -9.514 -4.955 1.001 1.00 43.20 C ATOM 0 H LEU A 43 -5.577 -6.243 0.671 1.00 60.20 H new ATOM 0 HA LEU A 43 -8.093 -6.487 -0.736 1.00 32.31 H new ATOM 0 HB2 LEU A 43 -6.273 -4.140 -0.028 1.00 65.14 H new ATOM 0 HB3 LEU A 43 -7.757 -3.937 -0.938 1.00 65.14 H new ATOM 0 HG LEU A 43 -7.564 -5.024 1.904 1.00 12.44 H new ATOM 0 HD11 LEU A 43 -8.637 -2.892 2.592 1.00 62.21 H new ATOM 0 HD12 LEU A 43 -7.047 -2.627 1.838 1.00 62.21 H new ATOM 0 HD13 LEU A 43 -8.534 -2.309 0.914 1.00 62.21 H new ATOM 0 HD21 LEU A 43 -10.045 -4.846 1.946 1.00 43.20 H new ATOM 0 HD22 LEU A 43 -10.033 -4.391 0.226 1.00 43.20 H new ATOM 0 HD23 LEU A 43 -9.481 -6.008 0.723 1.00 43.20 H new ATOM 726 N PRO A 44 -7.474 -6.290 -3.231 1.00 53.41 N ATOM 727 CA PRO A 44 -7.149 -6.082 -4.668 1.00 72.00 C ATOM 728 C PRO A 44 -6.989 -4.580 -5.007 1.00 24.23 C ATOM 729 O PRO A 44 -7.652 -3.739 -4.387 1.00 23.04 O ATOM 730 CB PRO A 44 -8.367 -6.701 -5.417 1.00 12.01 C ATOM 731 CG PRO A 44 -9.017 -7.602 -4.406 1.00 63.11 C ATOM 732 CD PRO A 44 -8.802 -6.930 -3.072 1.00 34.20 C ATOM 0 HA PRO A 44 -6.201 -6.540 -4.949 1.00 72.00 H new ATOM 0 HB2 PRO A 44 -9.055 -5.929 -5.760 1.00 12.01 H new ATOM 0 HB3 PRO A 44 -8.049 -7.258 -6.298 1.00 12.01 H new ATOM 0 HG2 PRO A 44 -10.079 -7.726 -4.616 1.00 63.11 H new ATOM 0 HG3 PRO A 44 -8.570 -8.596 -4.421 1.00 63.11 H new ATOM 0 HD2 PRO A 44 -9.580 -6.197 -2.859 1.00 34.20 H new ATOM 0 HD3 PRO A 44 -8.808 -7.649 -2.252 1.00 34.20 H new ATOM 740 N VAL A 45 -6.131 -4.262 -6.003 1.00 23.25 N ATOM 741 CA VAL A 45 -5.833 -2.861 -6.413 1.00 73.14 C ATOM 742 C VAL A 45 -7.119 -2.084 -6.782 1.00 33.41 C ATOM 743 O VAL A 45 -7.302 -0.956 -6.344 1.00 63.31 O ATOM 744 CB VAL A 45 -4.819 -2.811 -7.629 1.00 52.42 C ATOM 745 CG1 VAL A 45 -4.531 -1.358 -8.099 1.00 5.53 C ATOM 746 CG2 VAL A 45 -3.506 -3.534 -7.271 1.00 15.24 C ATOM 0 H VAL A 45 -5.625 -4.962 -6.546 1.00 23.25 H new ATOM 0 HA VAL A 45 -5.371 -2.381 -5.550 1.00 73.14 H new ATOM 0 HB VAL A 45 -5.293 -3.330 -8.462 1.00 52.42 H new ATOM 0 HG11 VAL A 45 -3.831 -1.378 -8.934 1.00 5.53 H new ATOM 0 HG12 VAL A 45 -5.461 -0.887 -8.417 1.00 5.53 H new ATOM 0 HG13 VAL A 45 -4.099 -0.788 -7.276 1.00 5.53 H new ATOM 0 HG21 VAL A 45 -2.823 -3.489 -8.119 1.00 15.24 H new ATOM 0 HG22 VAL A 45 -3.047 -3.050 -6.409 1.00 15.24 H new ATOM 0 HG23 VAL A 45 -3.718 -4.576 -7.031 1.00 15.24 H new ATOM 756 N VAL A 46 -8.017 -2.741 -7.531 1.00 31.35 N ATOM 757 CA VAL A 46 -9.260 -2.119 -8.055 1.00 71.41 C ATOM 758 C VAL A 46 -10.212 -1.636 -6.915 1.00 3.32 C ATOM 759 O VAL A 46 -10.720 -0.507 -6.951 1.00 72.24 O ATOM 760 CB VAL A 46 -10.026 -3.120 -9.006 1.00 2.15 C ATOM 761 CG1 VAL A 46 -11.244 -2.452 -9.688 1.00 50.14 C ATOM 762 CG2 VAL A 46 -9.067 -3.726 -10.062 1.00 4.43 C ATOM 0 H VAL A 46 -7.909 -3.720 -7.795 1.00 31.35 H new ATOM 0 HA VAL A 46 -8.955 -1.240 -8.623 1.00 71.41 H new ATOM 0 HB VAL A 46 -10.406 -3.929 -8.382 1.00 2.15 H new ATOM 0 HG11 VAL A 46 -11.742 -3.176 -10.333 1.00 50.14 H new ATOM 0 HG12 VAL A 46 -11.942 -2.104 -8.926 1.00 50.14 H new ATOM 0 HG13 VAL A 46 -10.907 -1.605 -10.285 1.00 50.14 H new ATOM 0 HG21 VAL A 46 -9.620 -4.412 -10.704 1.00 4.43 H new ATOM 0 HG22 VAL A 46 -8.640 -2.926 -10.667 1.00 4.43 H new ATOM 0 HG23 VAL A 46 -8.266 -4.267 -9.558 1.00 4.43 H new ATOM 772 N ASP A 47 -10.413 -2.496 -5.898 1.00 40.43 N ATOM 773 CA ASP A 47 -11.251 -2.179 -4.712 1.00 33.12 C ATOM 774 C ASP A 47 -10.542 -1.172 -3.772 1.00 23.41 C ATOM 775 O ASP A 47 -11.188 -0.326 -3.133 1.00 23.02 O ATOM 776 CB ASP A 47 -11.591 -3.485 -3.952 1.00 3.43 C ATOM 777 CG ASP A 47 -12.332 -4.504 -4.832 1.00 71.13 C ATOM 778 OD1 ASP A 47 -11.664 -5.313 -5.513 1.00 24.35 O ATOM 779 OD2 ASP A 47 -13.583 -4.492 -4.859 1.00 30.15 O ATOM 0 H ASP A 47 -10.003 -3.429 -5.870 1.00 40.43 H new ATOM 0 HA ASP A 47 -12.173 -1.711 -5.057 1.00 33.12 H new ATOM 0 HB2 ASP A 47 -10.671 -3.934 -3.579 1.00 3.43 H new ATOM 0 HB3 ASP A 47 -12.205 -3.246 -3.083 1.00 3.43 H new ATOM 784 N PHE A 48 -9.204 -1.283 -3.709 1.00 44.13 N ATOM 785 CA PHE A 48 -8.337 -0.360 -2.949 1.00 63.11 C ATOM 786 C PHE A 48 -8.400 1.074 -3.550 1.00 2.44 C ATOM 787 O PHE A 48 -8.359 2.062 -2.812 1.00 32.21 O ATOM 788 CB PHE A 48 -6.875 -0.904 -2.948 1.00 63.21 C ATOM 789 CG PHE A 48 -5.941 -0.252 -1.918 1.00 14.51 C ATOM 790 CD1 PHE A 48 -5.303 0.963 -2.181 1.00 20.52 C ATOM 791 CD2 PHE A 48 -5.719 -0.851 -0.675 1.00 51.22 C ATOM 792 CE1 PHE A 48 -4.485 1.555 -1.236 1.00 71.30 C ATOM 793 CE2 PHE A 48 -4.894 -0.261 0.263 1.00 2.31 C ATOM 794 CZ PHE A 48 -4.279 0.942 -0.015 1.00 33.22 C ATOM 0 H PHE A 48 -8.688 -2.021 -4.187 1.00 44.13 H new ATOM 0 HA PHE A 48 -8.691 -0.300 -1.920 1.00 63.11 H new ATOM 0 HB2 PHE A 48 -6.903 -1.978 -2.762 1.00 63.21 H new ATOM 0 HB3 PHE A 48 -6.450 -0.763 -3.942 1.00 63.21 H new ATOM 0 HD1 PHE A 48 -5.451 1.446 -3.135 1.00 20.52 H new ATOM 0 HD2 PHE A 48 -6.200 -1.790 -0.444 1.00 51.22 H new ATOM 0 HE1 PHE A 48 -4.006 2.498 -1.453 1.00 71.30 H new ATOM 0 HE2 PHE A 48 -4.730 -0.743 1.216 1.00 2.31 H new ATOM 0 HZ PHE A 48 -3.637 1.404 0.721 1.00 33.22 H new ATOM 804 N ASN A 49 -8.528 1.157 -4.896 1.00 24.10 N ATOM 805 CA ASN A 49 -8.596 2.433 -5.655 1.00 34.50 C ATOM 806 C ASN A 49 -9.848 3.273 -5.312 1.00 11.22 C ATOM 807 O ASN A 49 -9.818 4.496 -5.446 1.00 73.13 O ATOM 808 CB ASN A 49 -8.538 2.176 -7.187 1.00 25.24 C ATOM 809 CG ASN A 49 -7.160 1.724 -7.683 1.00 24.43 C ATOM 810 OD1 ASN A 49 -7.137 0.900 -8.713 1.00 4.54 O flip ATOM 811 ND2 ASN A 49 -6.126 2.110 -7.146 1.00 15.32 N flip ATOM 0 H ASN A 49 -8.588 0.332 -5.493 1.00 24.10 H new ATOM 0 HA ASN A 49 -7.723 3.010 -5.351 1.00 34.50 H new ATOM 0 HB2 ASN A 49 -9.275 1.417 -7.447 1.00 25.24 H new ATOM 0 HB3 ASN A 49 -8.822 3.089 -7.711 1.00 25.24 H new ATOM 0 HD21 ASN A 49 -6.171 2.747 -6.351 1.00 15.32 H new ATOM 0 HD22 ASN A 49 -5.221 1.794 -7.495 1.00 15.32 H new ATOM 818 N GLU A 50 -10.950 2.612 -4.904 1.00 32.14 N ATOM 819 CA GLU A 50 -12.173 3.318 -4.444 1.00 13.31 C ATOM 820 C GLU A 50 -11.913 4.046 -3.094 1.00 62.04 C ATOM 821 O GLU A 50 -12.310 5.203 -2.901 1.00 55.41 O ATOM 822 CB GLU A 50 -13.359 2.330 -4.308 1.00 71.21 C ATOM 823 CG GLU A 50 -14.713 3.004 -3.982 1.00 33.10 C ATOM 824 CD GLU A 50 -15.848 1.998 -3.744 1.00 42.14 C ATOM 825 OE1 GLU A 50 -16.026 1.556 -2.585 1.00 71.15 O ATOM 826 OE2 GLU A 50 -16.564 1.644 -4.707 1.00 52.05 O ATOM 0 H GLU A 50 -11.023 1.595 -4.882 1.00 32.14 H new ATOM 0 HA GLU A 50 -12.434 4.066 -5.193 1.00 13.31 H new ATOM 0 HB2 GLU A 50 -13.459 1.770 -5.238 1.00 71.21 H new ATOM 0 HB3 GLU A 50 -13.128 1.608 -3.525 1.00 71.21 H new ATOM 0 HG2 GLU A 50 -14.597 3.627 -3.095 1.00 33.10 H new ATOM 0 HG3 GLU A 50 -14.989 3.666 -4.803 1.00 33.10 H new ATOM 833 N MET A 51 -11.219 3.348 -2.177 1.00 33.50 N ATOM 834 CA MET A 51 -10.772 3.911 -0.878 1.00 63.22 C ATOM 835 C MET A 51 -9.699 5.020 -1.090 1.00 32.53 C ATOM 836 O MET A 51 -9.648 6.003 -0.348 1.00 2.43 O ATOM 837 CB MET A 51 -10.241 2.760 0.021 1.00 21.22 C ATOM 838 CG MET A 51 -9.859 3.167 1.457 1.00 63.51 C ATOM 839 SD MET A 51 -9.474 1.745 2.510 1.00 70.30 S ATOM 840 CE MET A 51 -8.139 0.950 1.610 1.00 5.53 C ATOM 0 H MET A 51 -10.949 2.374 -2.311 1.00 33.50 H new ATOM 0 HA MET A 51 -11.617 4.383 -0.377 1.00 63.22 H new ATOM 0 HB2 MET A 51 -11.002 1.981 0.072 1.00 21.22 H new ATOM 0 HB3 MET A 51 -9.367 2.320 -0.459 1.00 21.22 H new ATOM 0 HG2 MET A 51 -8.997 3.833 1.424 1.00 63.51 H new ATOM 0 HG3 MET A 51 -10.680 3.730 1.901 1.00 63.51 H new ATOM 0 HE1 MET A 51 -7.671 0.196 2.244 1.00 5.53 H new ATOM 0 HE2 MET A 51 -8.537 0.474 0.714 1.00 5.53 H new ATOM 0 HE3 MET A 51 -7.397 1.696 1.326 1.00 5.53 H new ATOM 850 N MET A 52 -8.860 4.828 -2.124 1.00 62.24 N ATOM 851 CA MET A 52 -7.825 5.799 -2.566 1.00 41.00 C ATOM 852 C MET A 52 -8.460 7.044 -3.236 1.00 32.34 C ATOM 853 O MET A 52 -7.918 8.151 -3.155 1.00 71.03 O ATOM 854 CB MET A 52 -6.842 5.069 -3.529 1.00 41.23 C ATOM 855 CG MET A 52 -5.719 5.925 -4.150 1.00 51.35 C ATOM 856 SD MET A 52 -6.265 6.989 -5.514 1.00 51.11 S ATOM 857 CE MET A 52 -6.786 5.794 -6.750 1.00 63.51 C ATOM 0 H MET A 52 -8.877 3.980 -2.691 1.00 62.24 H new ATOM 0 HA MET A 52 -7.278 6.166 -1.698 1.00 41.00 H new ATOM 0 HB2 MET A 52 -6.381 4.245 -2.984 1.00 41.23 H new ATOM 0 HB3 MET A 52 -7.423 4.629 -4.340 1.00 41.23 H new ATOM 0 HG2 MET A 52 -5.279 6.548 -3.371 1.00 51.35 H new ATOM 0 HG3 MET A 52 -4.931 5.264 -4.512 1.00 51.35 H new ATOM 0 HE1 MET A 52 -6.650 6.217 -7.745 1.00 63.51 H new ATOM 0 HE2 MET A 52 -6.187 4.888 -6.656 1.00 63.51 H new ATOM 0 HE3 MET A 52 -7.838 5.550 -6.600 1.00 63.51 H new ATOM 867 N SER A 53 -9.621 6.847 -3.891 1.00 42.42 N ATOM 868 CA SER A 53 -10.397 7.948 -4.513 1.00 52.32 C ATOM 869 C SER A 53 -10.933 8.924 -3.444 1.00 41.21 C ATOM 870 O SER A 53 -11.113 10.120 -3.702 1.00 31.51 O ATOM 871 CB SER A 53 -11.580 7.379 -5.333 1.00 72.52 C ATOM 872 OG SER A 53 -12.283 8.400 -6.034 1.00 51.51 O ATOM 0 H SER A 53 -10.049 5.928 -4.006 1.00 42.42 H new ATOM 0 HA SER A 53 -9.726 8.493 -5.177 1.00 52.32 H new ATOM 0 HB2 SER A 53 -11.207 6.642 -6.044 1.00 72.52 H new ATOM 0 HB3 SER A 53 -12.267 6.859 -4.665 1.00 72.52 H new ATOM 0 HG SER A 53 -13.021 8.001 -6.540 1.00 51.51 H new ATOM 878 N LYS A 54 -11.185 8.382 -2.245 1.00 50.00 N ATOM 879 CA LYS A 54 -11.682 9.147 -1.090 1.00 4.11 C ATOM 880 C LYS A 54 -10.480 9.780 -0.326 1.00 75.23 C ATOM 881 O LYS A 54 -10.482 10.978 -0.019 1.00 23.34 O ATOM 882 CB LYS A 54 -12.519 8.195 -0.169 1.00 11.13 C ATOM 883 CG LYS A 54 -13.714 8.858 0.553 1.00 21.50 C ATOM 884 CD LYS A 54 -13.311 9.925 1.598 1.00 42.24 C ATOM 885 CE LYS A 54 -14.525 10.614 2.239 1.00 33.52 C ATOM 886 NZ LYS A 54 -15.395 11.269 1.227 1.00 75.35 N ATOM 0 H LYS A 54 -11.049 7.391 -2.046 1.00 50.00 H new ATOM 0 HA LYS A 54 -12.329 9.959 -1.420 1.00 4.11 H new ATOM 0 HB2 LYS A 54 -12.894 7.369 -0.773 1.00 11.13 H new ATOM 0 HB3 LYS A 54 -11.855 7.766 0.581 1.00 11.13 H new ATOM 0 HG2 LYS A 54 -14.362 9.321 -0.191 1.00 21.50 H new ATOM 0 HG3 LYS A 54 -14.300 8.084 1.048 1.00 21.50 H new ATOM 0 HD2 LYS A 54 -12.711 9.456 2.378 1.00 42.24 H new ATOM 0 HD3 LYS A 54 -12.682 10.676 1.120 1.00 42.24 H new ATOM 0 HE2 LYS A 54 -15.107 9.879 2.795 1.00 33.52 H new ATOM 0 HE3 LYS A 54 -14.181 11.358 2.957 1.00 33.52 H new ATOM 0 HZ1 LYS A 54 -16.081 11.887 1.706 1.00 75.35 H new ATOM 0 HZ2 LYS A 54 -14.810 11.837 0.581 1.00 75.35 H new ATOM 0 HZ3 LYS A 54 -15.904 10.542 0.684 1.00 75.35 H new ATOM 900 N GLU A 55 -9.468 8.947 -0.027 1.00 31.33 N ATOM 901 CA GLU A 55 -8.237 9.361 0.691 1.00 14.25 C ATOM 902 C GLU A 55 -7.078 9.555 -0.314 1.00 45.43 C ATOM 903 O GLU A 55 -6.474 8.576 -0.773 1.00 70.02 O ATOM 904 CB GLU A 55 -7.857 8.304 1.795 1.00 2.11 C ATOM 905 CG GLU A 55 -7.736 8.861 3.236 1.00 71.21 C ATOM 906 CD GLU A 55 -6.710 10.005 3.378 1.00 52.42 C ATOM 907 OE1 GLU A 55 -5.504 9.723 3.577 1.00 34.21 O ATOM 908 OE2 GLU A 55 -7.106 11.191 3.302 1.00 51.40 O ATOM 0 H GLU A 55 -9.476 7.958 -0.276 1.00 31.33 H new ATOM 0 HA GLU A 55 -8.423 10.312 1.190 1.00 14.25 H new ATOM 0 HB2 GLU A 55 -8.608 7.514 1.791 1.00 2.11 H new ATOM 0 HB3 GLU A 55 -6.908 7.843 1.521 1.00 2.11 H new ATOM 0 HG2 GLU A 55 -8.713 9.220 3.560 1.00 71.21 H new ATOM 0 HG3 GLU A 55 -7.456 8.049 3.907 1.00 71.21 H new ATOM 915 N GLN A 56 -6.781 10.820 -0.648 1.00 31.31 N ATOM 916 CA GLN A 56 -5.743 11.165 -1.651 1.00 34.11 C ATOM 917 C GLN A 56 -4.308 10.838 -1.147 1.00 63.32 C ATOM 918 O GLN A 56 -3.810 11.471 -0.205 1.00 24.11 O ATOM 919 CB GLN A 56 -5.836 12.666 -2.054 1.00 75.11 C ATOM 920 CG GLN A 56 -4.809 13.099 -3.127 1.00 74.00 C ATOM 921 CD GLN A 56 -4.828 14.602 -3.418 1.00 33.04 C ATOM 922 OE1 GLN A 56 -4.130 15.380 -2.772 1.00 14.24 O ATOM 923 NE2 GLN A 56 -5.606 15.027 -4.391 1.00 5.24 N ATOM 0 H GLN A 56 -7.245 11.631 -0.239 1.00 31.31 H new ATOM 0 HA GLN A 56 -5.936 10.548 -2.528 1.00 34.11 H new ATOM 0 HB2 GLN A 56 -6.840 12.869 -2.425 1.00 75.11 H new ATOM 0 HB3 GLN A 56 -5.695 13.279 -1.164 1.00 75.11 H new ATOM 0 HG2 GLN A 56 -3.810 12.813 -2.799 1.00 74.00 H new ATOM 0 HG3 GLN A 56 -5.009 12.555 -4.050 1.00 74.00 H new ATOM 0 HE21 GLN A 56 -6.177 14.363 -4.914 1.00 5.24 H new ATOM 0 HE22 GLN A 56 -5.638 16.020 -4.622 1.00 5.24 H new ATOM 932 N PHE A 57 -3.658 9.843 -1.782 1.00 35.21 N ATOM 933 CA PHE A 57 -2.234 9.497 -1.524 1.00 4.01 C ATOM 934 C PHE A 57 -1.341 10.054 -2.657 1.00 24.42 C ATOM 935 O PHE A 57 -1.783 10.143 -3.807 1.00 12.51 O ATOM 936 CB PHE A 57 -2.056 7.958 -1.411 1.00 53.24 C ATOM 937 CG PHE A 57 -3.020 7.296 -0.427 1.00 74.41 C ATOM 938 CD1 PHE A 57 -2.984 7.618 0.927 1.00 11.34 C ATOM 939 CD2 PHE A 57 -3.972 6.370 -0.858 1.00 71.14 C ATOM 940 CE1 PHE A 57 -3.866 7.044 1.816 1.00 14.52 C ATOM 941 CE2 PHE A 57 -4.851 5.793 0.034 1.00 52.11 C ATOM 942 CZ PHE A 57 -4.799 6.133 1.369 1.00 23.32 C ATOM 0 H PHE A 57 -4.099 9.254 -2.488 1.00 35.21 H new ATOM 0 HA PHE A 57 -1.933 9.949 -0.579 1.00 4.01 H new ATOM 0 HB2 PHE A 57 -2.194 7.512 -2.396 1.00 53.24 H new ATOM 0 HB3 PHE A 57 -1.033 7.742 -1.104 1.00 53.24 H new ATOM 0 HD1 PHE A 57 -2.254 8.328 1.286 1.00 11.34 H new ATOM 0 HD2 PHE A 57 -4.020 6.102 -1.903 1.00 71.14 H new ATOM 0 HE1 PHE A 57 -3.827 7.308 2.863 1.00 14.52 H new ATOM 0 HE2 PHE A 57 -5.580 5.075 -0.313 1.00 52.11 H new ATOM 0 HZ PHE A 57 -5.491 5.684 2.066 1.00 23.32 H new ATOM 952 N ASN A 58 -0.088 10.422 -2.325 1.00 42.42 N ATOM 953 CA ASN A 58 0.875 10.986 -3.304 1.00 51.03 C ATOM 954 C ASN A 58 1.397 9.905 -4.297 1.00 53.11 C ATOM 955 O ASN A 58 1.199 8.708 -4.082 1.00 54.45 O ATOM 956 CB ASN A 58 2.051 11.660 -2.554 1.00 24.42 C ATOM 957 CG ASN A 58 1.615 12.786 -1.603 1.00 54.24 C ATOM 958 OD1 ASN A 58 0.641 13.490 -1.847 1.00 1.30 O ATOM 959 ND2 ASN A 58 2.331 12.965 -0.513 1.00 35.40 N ATOM 0 H ASN A 58 0.287 10.340 -1.380 1.00 42.42 H new ATOM 0 HA ASN A 58 0.352 11.736 -3.898 1.00 51.03 H new ATOM 0 HB2 ASN A 58 2.588 10.902 -1.983 1.00 24.42 H new ATOM 0 HB3 ASN A 58 2.752 12.065 -3.284 1.00 24.42 H new ATOM 0 HD21 ASN A 58 2.079 13.700 0.148 1.00 35.40 H new ATOM 0 HD22 ASN A 58 3.138 12.368 -0.329 1.00 35.40 H new ATOM 966 N GLU A 59 2.082 10.354 -5.367 1.00 1.40 N ATOM 967 CA GLU A 59 2.516 9.481 -6.502 1.00 30.21 C ATOM 968 C GLU A 59 3.441 8.294 -6.071 1.00 74.52 C ATOM 969 O GLU A 59 3.190 7.145 -6.457 1.00 22.22 O ATOM 970 CB GLU A 59 3.156 10.334 -7.664 1.00 63.21 C ATOM 971 CG GLU A 59 3.904 11.631 -7.255 1.00 21.52 C ATOM 972 CD GLU A 59 5.090 11.414 -6.299 1.00 30.24 C ATOM 973 OE1 GLU A 59 6.169 10.981 -6.763 1.00 10.43 O ATOM 974 OE2 GLU A 59 4.946 11.645 -5.075 1.00 61.12 O ATOM 0 H GLU A 59 2.355 11.330 -5.479 1.00 1.40 H new ATOM 0 HA GLU A 59 1.609 9.011 -6.883 1.00 30.21 H new ATOM 0 HB2 GLU A 59 3.854 9.697 -8.207 1.00 63.21 H new ATOM 0 HB3 GLU A 59 2.363 10.605 -8.361 1.00 63.21 H new ATOM 0 HG2 GLU A 59 4.267 12.125 -8.156 1.00 21.52 H new ATOM 0 HG3 GLU A 59 3.194 12.310 -6.783 1.00 21.52 H new ATOM 981 N ALA A 60 4.484 8.572 -5.258 1.00 44.30 N ATOM 982 CA ALA A 60 5.434 7.539 -4.777 1.00 60.13 C ATOM 983 C ALA A 60 4.816 6.687 -3.644 1.00 14.03 C ATOM 984 O ALA A 60 5.170 5.518 -3.482 1.00 4.25 O ATOM 985 CB ALA A 60 6.754 8.179 -4.318 1.00 22.30 C ATOM 0 H ALA A 60 4.692 9.511 -4.918 1.00 44.30 H new ATOM 0 HA ALA A 60 5.648 6.874 -5.614 1.00 60.13 H new ATOM 0 HB1 ALA A 60 7.434 7.401 -3.970 1.00 22.30 H new ATOM 0 HB2 ALA A 60 7.209 8.712 -5.153 1.00 22.30 H new ATOM 0 HB3 ALA A 60 6.556 8.878 -3.506 1.00 22.30 H new ATOM 991 N GLN A 61 3.898 7.295 -2.863 1.00 1.51 N ATOM 992 CA GLN A 61 3.110 6.599 -1.830 1.00 22.33 C ATOM 993 C GLN A 61 2.232 5.489 -2.470 1.00 52.13 C ATOM 994 O GLN A 61 2.137 4.375 -1.950 1.00 34.04 O ATOM 995 CB GLN A 61 2.227 7.641 -1.081 1.00 12.42 C ATOM 996 CG GLN A 61 1.785 7.221 0.334 1.00 72.23 C ATOM 997 CD GLN A 61 0.889 8.253 1.036 1.00 30.20 C ATOM 998 OE1 GLN A 61 0.948 9.449 0.760 1.00 52.10 O ATOM 999 NE2 GLN A 61 0.081 7.803 1.980 1.00 14.13 N ATOM 0 H GLN A 61 3.683 8.290 -2.934 1.00 1.51 H new ATOM 0 HA GLN A 61 3.782 6.119 -1.119 1.00 22.33 H new ATOM 0 HB2 GLN A 61 2.779 8.578 -1.010 1.00 12.42 H new ATOM 0 HB3 GLN A 61 1.338 7.839 -1.680 1.00 12.42 H new ATOM 0 HG2 GLN A 61 1.251 6.273 0.271 1.00 72.23 H new ATOM 0 HG3 GLN A 61 2.671 7.048 0.945 1.00 72.23 H new ATOM 0 HE21 GLN A 61 0.049 6.806 2.191 1.00 14.13 H new ATOM 0 HE22 GLN A 61 -0.511 8.453 2.497 1.00 14.13 H new ATOM 1008 N LEU A 62 1.622 5.827 -3.626 1.00 53.34 N ATOM 1009 CA LEU A 62 0.845 4.881 -4.460 1.00 63.04 C ATOM 1010 C LEU A 62 1.753 3.845 -5.149 1.00 72.21 C ATOM 1011 O LEU A 62 1.338 2.708 -5.365 1.00 62.35 O ATOM 1012 CB LEU A 62 0.026 5.660 -5.528 1.00 1.40 C ATOM 1013 CG LEU A 62 -1.178 6.481 -4.977 1.00 23.12 C ATOM 1014 CD1 LEU A 62 -1.874 7.297 -6.094 1.00 73.04 C ATOM 1015 CD2 LEU A 62 -2.177 5.548 -4.256 1.00 53.11 C ATOM 0 H LEU A 62 1.654 6.771 -4.011 1.00 53.34 H new ATOM 0 HA LEU A 62 0.166 4.341 -3.800 1.00 63.04 H new ATOM 0 HB2 LEU A 62 0.698 6.339 -6.052 1.00 1.40 H new ATOM 0 HB3 LEU A 62 -0.347 4.949 -6.265 1.00 1.40 H new ATOM 0 HG LEU A 62 -0.794 7.199 -4.253 1.00 23.12 H new ATOM 0 HD11 LEU A 62 -2.708 7.856 -5.670 1.00 73.04 H new ATOM 0 HD12 LEU A 62 -1.160 7.991 -6.536 1.00 73.04 H new ATOM 0 HD13 LEU A 62 -2.245 6.619 -6.863 1.00 73.04 H new ATOM 0 HD21 LEU A 62 -3.013 6.135 -3.876 1.00 53.11 H new ATOM 0 HD22 LEU A 62 -2.547 4.800 -4.957 1.00 53.11 H new ATOM 0 HD23 LEU A 62 -1.676 5.050 -3.426 1.00 53.11 H new ATOM 1027 N ALA A 63 2.981 4.267 -5.506 1.00 25.43 N ATOM 1028 CA ALA A 63 4.005 3.377 -6.092 1.00 54.22 C ATOM 1029 C ALA A 63 4.447 2.278 -5.098 1.00 75.35 C ATOM 1030 O ALA A 63 4.640 1.129 -5.494 1.00 41.03 O ATOM 1031 CB ALA A 63 5.213 4.195 -6.574 1.00 45.45 C ATOM 0 H ALA A 63 3.292 5.232 -5.397 1.00 25.43 H new ATOM 0 HA ALA A 63 3.557 2.876 -6.950 1.00 54.22 H new ATOM 0 HB1 ALA A 63 5.958 3.525 -7.003 1.00 45.45 H new ATOM 0 HB2 ALA A 63 4.890 4.910 -7.330 1.00 45.45 H new ATOM 0 HB3 ALA A 63 5.649 4.731 -5.731 1.00 45.45 H new ATOM 1037 N LEU A 64 4.582 2.650 -3.805 1.00 73.21 N ATOM 1038 CA LEU A 64 4.952 1.706 -2.725 1.00 53.21 C ATOM 1039 C LEU A 64 3.821 0.693 -2.437 1.00 74.32 C ATOM 1040 O LEU A 64 4.081 -0.504 -2.326 1.00 65.43 O ATOM 1041 CB LEU A 64 5.311 2.465 -1.425 1.00 63.23 C ATOM 1042 CG LEU A 64 5.837 1.573 -0.253 1.00 42.22 C ATOM 1043 CD1 LEU A 64 7.128 0.828 -0.649 1.00 41.42 C ATOM 1044 CD2 LEU A 64 6.048 2.393 1.033 1.00 72.34 C ATOM 0 H LEU A 64 4.439 3.607 -3.482 1.00 73.21 H new ATOM 0 HA LEU A 64 5.826 1.155 -3.072 1.00 53.21 H new ATOM 0 HB2 LEU A 64 6.069 3.213 -1.658 1.00 63.23 H new ATOM 0 HB3 LEU A 64 4.427 3.003 -1.082 1.00 63.23 H new ATOM 0 HG LEU A 64 5.069 0.827 -0.047 1.00 42.22 H new ATOM 0 HD11 LEU A 64 7.467 0.217 0.188 1.00 41.42 H new ATOM 0 HD12 LEU A 64 6.930 0.188 -1.509 1.00 41.42 H new ATOM 0 HD13 LEU A 64 7.901 1.552 -0.907 1.00 41.42 H new ATOM 0 HD21 LEU A 64 6.414 1.740 1.825 1.00 72.34 H new ATOM 0 HD22 LEU A 64 6.778 3.181 0.847 1.00 72.34 H new ATOM 0 HD23 LEU A 64 5.102 2.840 1.339 1.00 72.34 H new ATOM 1056 N ILE A 65 2.578 1.199 -2.303 1.00 73.20 N ATOM 1057 CA ILE A 65 1.364 0.350 -2.152 1.00 33.31 C ATOM 1058 C ILE A 65 1.270 -0.683 -3.307 1.00 42.35 C ATOM 1059 O ILE A 65 1.081 -1.879 -3.077 1.00 14.31 O ATOM 1060 CB ILE A 65 0.059 1.244 -2.117 1.00 73.12 C ATOM 1061 CG1 ILE A 65 0.041 2.147 -0.833 1.00 45.14 C ATOM 1062 CG2 ILE A 65 -1.236 0.389 -2.227 1.00 2.53 C ATOM 1063 CD1 ILE A 65 -1.066 3.196 -0.787 1.00 74.34 C ATOM 0 H ILE A 65 2.381 2.200 -2.296 1.00 73.20 H new ATOM 0 HA ILE A 65 1.444 -0.189 -1.208 1.00 33.31 H new ATOM 0 HB ILE A 65 0.082 1.894 -2.991 1.00 73.12 H new ATOM 0 HG12 ILE A 65 -0.055 1.504 0.042 1.00 45.14 H new ATOM 0 HG13 ILE A 65 1.003 2.654 -0.752 1.00 45.14 H new ATOM 0 HG21 ILE A 65 -2.107 1.043 -2.199 1.00 2.53 H new ATOM 0 HG22 ILE A 65 -1.228 -0.164 -3.166 1.00 2.53 H new ATOM 0 HG23 ILE A 65 -1.281 -0.312 -1.393 1.00 2.53 H new ATOM 0 HD11 ILE A 65 -0.990 3.765 0.139 1.00 74.34 H new ATOM 0 HD12 ILE A 65 -0.964 3.871 -1.637 1.00 74.34 H new ATOM 0 HD13 ILE A 65 -2.037 2.703 -0.830 1.00 74.34 H new ATOM 1075 N ARG A 66 1.464 -0.180 -4.535 1.00 73.01 N ATOM 1076 CA ARG A 66 1.420 -0.971 -5.784 1.00 52.44 C ATOM 1077 C ARG A 66 2.586 -1.993 -5.850 1.00 64.01 C ATOM 1078 O ARG A 66 2.430 -3.085 -6.393 1.00 32.42 O ATOM 1079 CB ARG A 66 1.491 0.013 -6.979 1.00 54.34 C ATOM 1080 CG ARG A 66 1.092 -0.550 -8.359 1.00 5.55 C ATOM 1081 CD ARG A 66 1.217 0.519 -9.471 1.00 50.00 C ATOM 1082 NE ARG A 66 0.655 1.827 -9.051 1.00 4.13 N ATOM 1083 CZ ARG A 66 -0.417 2.416 -9.541 1.00 4.42 C ATOM 1084 NH1 ARG A 66 -1.110 1.883 -10.496 1.00 11.44 N ATOM 1085 NH2 ARG A 66 -0.778 3.569 -9.072 1.00 4.31 N ATOM 0 H ARG A 66 1.660 0.808 -4.696 1.00 73.01 H new ATOM 0 HA ARG A 66 0.493 -1.544 -5.818 1.00 52.44 H new ATOM 0 HB2 ARG A 66 0.847 0.864 -6.759 1.00 54.34 H new ATOM 0 HB3 ARG A 66 2.510 0.394 -7.047 1.00 54.34 H new ATOM 0 HG2 ARG A 66 1.726 -1.403 -8.601 1.00 5.55 H new ATOM 0 HG3 ARG A 66 0.066 -0.916 -8.320 1.00 5.55 H new ATOM 0 HD2 ARG A 66 2.267 0.644 -9.737 1.00 50.00 H new ATOM 0 HD3 ARG A 66 0.700 0.173 -10.366 1.00 50.00 H new ATOM 0 HE ARG A 66 1.149 2.320 -8.307 1.00 4.13 H new ATOM 0 HH11 ARG A 66 -0.830 0.984 -10.889 1.00 11.44 H new ATOM 0 HH12 ARG A 66 -1.936 2.362 -10.856 1.00 11.44 H new ATOM 0 HH21 ARG A 66 -0.234 4.011 -8.331 1.00 4.31 H new ATOM 0 HH22 ARG A 66 -1.606 4.034 -9.444 1.00 4.31 H new ATOM 1099 N ASP A 67 3.746 -1.615 -5.281 1.00 24.44 N ATOM 1100 CA ASP A 67 4.947 -2.478 -5.232 1.00 73.54 C ATOM 1101 C ASP A 67 4.715 -3.672 -4.273 1.00 73.41 C ATOM 1102 O ASP A 67 5.041 -4.808 -4.602 1.00 31.24 O ATOM 1103 CB ASP A 67 6.183 -1.643 -4.784 1.00 33.23 C ATOM 1104 CG ASP A 67 7.539 -2.266 -5.173 1.00 53.11 C ATOM 1105 OD1 ASP A 67 7.906 -3.315 -4.617 1.00 64.14 O ATOM 1106 OD2 ASP A 67 8.264 -1.675 -6.011 1.00 62.42 O ATOM 0 H ASP A 67 3.880 -0.704 -4.842 1.00 24.44 H new ATOM 0 HA ASP A 67 5.138 -2.876 -6.229 1.00 73.54 H new ATOM 0 HB2 ASP A 67 6.114 -0.648 -5.223 1.00 33.23 H new ATOM 0 HB3 ASP A 67 6.150 -1.518 -3.702 1.00 33.23 H new ATOM 1111 N ILE A 68 4.126 -3.378 -3.096 1.00 72.32 N ATOM 1112 CA ILE A 68 3.748 -4.388 -2.071 1.00 4.11 C ATOM 1113 C ILE A 68 2.620 -5.335 -2.593 1.00 73.12 C ATOM 1114 O ILE A 68 2.593 -6.537 -2.277 1.00 5.11 O ATOM 1115 CB ILE A 68 3.318 -3.659 -0.735 1.00 72.11 C ATOM 1116 CG1 ILE A 68 4.536 -2.866 -0.131 1.00 42.40 C ATOM 1117 CG2 ILE A 68 2.715 -4.634 0.307 1.00 63.01 C ATOM 1118 CD1 ILE A 68 4.229 -2.032 1.112 1.00 73.31 C ATOM 0 H ILE A 68 3.894 -2.423 -2.822 1.00 72.32 H new ATOM 0 HA ILE A 68 4.616 -5.014 -1.862 1.00 4.11 H new ATOM 0 HB ILE A 68 2.528 -2.953 -0.990 1.00 72.11 H new ATOM 0 HG12 ILE A 68 5.323 -3.578 0.116 1.00 42.40 H new ATOM 0 HG13 ILE A 68 4.934 -2.205 -0.901 1.00 42.40 H new ATOM 0 HG21 ILE A 68 2.437 -4.081 1.204 1.00 63.01 H new ATOM 0 HG22 ILE A 68 1.830 -5.113 -0.112 1.00 63.01 H new ATOM 0 HG23 ILE A 68 3.453 -5.395 0.563 1.00 63.01 H new ATOM 0 HD11 ILE A 68 5.136 -1.528 1.445 1.00 73.31 H new ATOM 0 HD12 ILE A 68 3.468 -1.289 0.873 1.00 73.31 H new ATOM 0 HD13 ILE A 68 3.863 -2.683 1.906 1.00 73.31 H new ATOM 1130 N ARG A 69 1.712 -4.772 -3.411 1.00 10.55 N ATOM 1131 CA ARG A 69 0.680 -5.538 -4.157 1.00 61.54 C ATOM 1132 C ARG A 69 1.332 -6.534 -5.156 1.00 44.23 C ATOM 1133 O ARG A 69 0.850 -7.658 -5.334 1.00 23.34 O ATOM 1134 CB ARG A 69 -0.272 -4.546 -4.902 1.00 32.54 C ATOM 1135 CG ARG A 69 -1.293 -3.801 -3.991 1.00 60.10 C ATOM 1136 CD ARG A 69 -2.644 -4.529 -3.853 1.00 33.50 C ATOM 1137 NE ARG A 69 -2.519 -5.921 -3.379 1.00 21.11 N ATOM 1138 CZ ARG A 69 -2.988 -6.991 -3.991 1.00 65.43 C ATOM 1139 NH1 ARG A 69 -3.552 -6.914 -5.156 1.00 33.55 N ATOM 1140 NH2 ARG A 69 -2.881 -8.143 -3.423 1.00 2.13 N ATOM 0 H ARG A 69 1.668 -3.767 -3.578 1.00 10.55 H new ATOM 0 HA ARG A 69 0.098 -6.124 -3.446 1.00 61.54 H new ATOM 0 HB2 ARG A 69 0.335 -3.805 -5.422 1.00 32.54 H new ATOM 0 HB3 ARG A 69 -0.823 -5.098 -5.663 1.00 32.54 H new ATOM 0 HG2 ARG A 69 -0.857 -3.672 -3.001 1.00 60.10 H new ATOM 0 HG3 ARG A 69 -1.467 -2.804 -4.395 1.00 60.10 H new ATOM 0 HD2 ARG A 69 -3.277 -3.974 -3.161 1.00 33.50 H new ATOM 0 HD3 ARG A 69 -3.149 -4.527 -4.819 1.00 33.50 H new ATOM 0 HE ARG A 69 -2.025 -6.069 -2.499 1.00 21.11 H new ATOM 0 HH11 ARG A 69 -3.641 -6.010 -5.621 1.00 33.55 H new ATOM 0 HH12 ARG A 69 -3.906 -7.757 -5.608 1.00 33.55 H new ATOM 0 HH21 ARG A 69 -2.437 -8.221 -2.508 1.00 2.13 H new ATOM 0 HH22 ARG A 69 -3.241 -8.976 -3.888 1.00 2.13 H new ATOM 1154 N ARG A 70 2.435 -6.096 -5.795 1.00 30.44 N ATOM 1155 CA ARG A 70 3.243 -6.942 -6.712 1.00 33.03 C ATOM 1156 C ARG A 70 4.200 -7.902 -5.949 1.00 3.21 C ATOM 1157 O ARG A 70 4.644 -8.905 -6.521 1.00 34.33 O ATOM 1158 CB ARG A 70 4.052 -6.054 -7.695 1.00 63.20 C ATOM 1159 CG ARG A 70 3.186 -5.196 -8.646 1.00 12.42 C ATOM 1160 CD ARG A 70 4.026 -4.333 -9.606 1.00 14.15 C ATOM 1161 NE ARG A 70 4.921 -3.397 -8.894 1.00 5.41 N ATOM 1162 CZ ARG A 70 6.238 -3.366 -8.989 1.00 34.54 C ATOM 1163 NH1 ARG A 70 6.899 -4.263 -9.654 1.00 4.04 N ATOM 1164 NH2 ARG A 70 6.887 -2.432 -8.395 1.00 21.24 N ATOM 0 H ARG A 70 2.795 -5.147 -5.694 1.00 30.44 H new ATOM 0 HA ARG A 70 2.542 -7.561 -7.272 1.00 33.03 H new ATOM 0 HB2 ARG A 70 4.700 -5.393 -7.119 1.00 63.20 H new ATOM 0 HB3 ARG A 70 4.701 -6.694 -8.293 1.00 63.20 H new ATOM 0 HG2 ARG A 70 2.537 -5.850 -9.228 1.00 12.42 H new ATOM 0 HG3 ARG A 70 2.539 -4.548 -8.055 1.00 12.42 H new ATOM 0 HD2 ARG A 70 4.622 -4.984 -10.246 1.00 14.15 H new ATOM 0 HD3 ARG A 70 3.360 -3.768 -10.258 1.00 14.15 H new ATOM 0 HE ARG A 70 4.483 -2.715 -8.275 1.00 5.41 H new ATOM 0 HH11 ARG A 70 6.401 -5.020 -10.122 1.00 4.04 H new ATOM 0 HH12 ARG A 70 7.916 -4.211 -9.708 1.00 4.04 H new ATOM 0 HH21 ARG A 70 6.386 -1.725 -7.857 1.00 21.24 H new ATOM 0 HH22 ARG A 70 7.904 -2.397 -8.460 1.00 21.24 H new ATOM 1178 N ARG A 71 4.547 -7.572 -4.681 1.00 15.05 N ATOM 1179 CA ARG A 71 5.361 -8.460 -3.812 1.00 1.42 C ATOM 1180 C ARG A 71 4.581 -9.747 -3.488 1.00 25.14 C ATOM 1181 O ARG A 71 4.976 -10.838 -3.913 1.00 13.45 O ATOM 1182 CB ARG A 71 5.779 -7.748 -2.482 1.00 52.32 C ATOM 1183 CG ARG A 71 6.832 -6.630 -2.629 1.00 11.44 C ATOM 1184 CD ARG A 71 8.166 -7.145 -3.192 1.00 31.33 C ATOM 1185 NE ARG A 71 9.190 -6.085 -3.233 1.00 2.45 N ATOM 1186 CZ ARG A 71 9.973 -5.814 -4.253 1.00 54.34 C ATOM 1187 NH1 ARG A 71 9.877 -6.461 -5.373 1.00 34.12 N ATOM 1188 NH2 ARG A 71 10.841 -4.867 -4.149 1.00 42.24 N ATOM 0 H ARG A 71 4.275 -6.695 -4.236 1.00 15.05 H new ATOM 0 HA ARG A 71 6.270 -8.710 -4.360 1.00 1.42 H new ATOM 0 HB2 ARG A 71 4.887 -7.324 -2.021 1.00 52.32 H new ATOM 0 HB3 ARG A 71 6.166 -8.500 -1.794 1.00 52.32 H new ATOM 0 HG2 ARG A 71 6.441 -5.852 -3.285 1.00 11.44 H new ATOM 0 HG3 ARG A 71 7.006 -6.170 -1.656 1.00 11.44 H new ATOM 0 HD2 ARG A 71 8.524 -7.972 -2.579 1.00 31.33 H new ATOM 0 HD3 ARG A 71 8.009 -7.537 -4.197 1.00 31.33 H new ATOM 0 HE ARG A 71 9.300 -5.512 -2.396 1.00 2.45 H new ATOM 0 HH11 ARG A 71 9.181 -7.200 -5.477 1.00 34.12 H new ATOM 0 HH12 ARG A 71 10.497 -6.231 -6.150 1.00 34.12 H new ATOM 0 HH21 ARG A 71 10.915 -4.336 -3.281 1.00 42.24 H new ATOM 0 HH22 ARG A 71 11.454 -4.648 -4.935 1.00 42.24 H new