USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 410 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 52 GLN : amide:sc=-0.00252 X(o=-0.26,f=-0.26) USER MOD Set 1.2: A 56 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 28 GLN : amide:sc= -7.06! C(o=-7.1!,f=-8.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -169:sc= -3.11! (180deg=-3.28!) USER MOD Single : A 44 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.95) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 96:sc= -0.32 USER MOD Single : A 58 THR OG1 : rot -125:sc= 0.34! USER MOD Single : A 63 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -5.028 4.755 -8.560 1.00 0.00 N ATOM 289 CA LYS A 23 -4.100 5.760 -9.051 1.00 0.00 C ATOM 290 C LYS A 23 -2.752 5.589 -8.350 1.00 0.00 C ATOM 291 O LYS A 23 -2.333 6.454 -7.581 1.00 0.00 O ATOM 292 CB LYS A 23 -4.698 7.160 -8.901 1.00 0.00 C ATOM 293 CG LYS A 23 -4.892 7.823 -10.266 1.00 0.00 C ATOM 294 CD LYS A 23 -3.575 8.405 -10.785 1.00 0.00 C ATOM 295 CE LYS A 23 -3.347 9.816 -10.241 1.00 0.00 C ATOM 296 NZ LYS A 23 -1.980 9.943 -9.687 1.00 0.00 N ATOM 0 HA LYS A 23 -3.924 5.627 -10.118 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.656 7.097 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.043 7.775 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.276 7.092 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.637 8.614 -10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.747 7.760 -10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.588 8.429 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.493 10.547 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.082 10.037 -9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.842 10.907 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.854 9.259 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.283 9.753 -10.435 1.00 0.00 H new ATOM 310 N PHE A 24 -2.109 4.467 -8.639 1.00 0.00 N ATOM 311 CA PHE A 24 -0.816 4.171 -8.045 1.00 0.00 C ATOM 312 C PHE A 24 0.278 5.059 -8.641 1.00 0.00 C ATOM 313 O PHE A 24 0.564 4.981 -9.835 1.00 0.00 O ATOM 314 CB PHE A 24 -0.500 2.709 -8.366 1.00 0.00 C ATOM 315 CG PHE A 24 -1.710 1.777 -8.278 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.297 1.536 -7.075 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.200 1.190 -9.403 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.420 0.671 -6.993 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.323 0.325 -9.322 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.910 0.084 -8.119 1.00 0.00 C ATOM 0 H PHE A 24 -2.459 3.752 -9.277 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.850 4.354 -6.971 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.082 2.651 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.269 2.355 -7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.909 2.003 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.735 1.382 -10.358 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.885 0.479 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.711 -0.141 -10.215 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.765 -0.573 -8.057 1.00 0.00 H new ATOM 330 N THR A 25 0.859 5.884 -7.783 1.00 0.00 N ATOM 331 CA THR A 25 1.915 6.787 -8.210 1.00 0.00 C ATOM 332 C THR A 25 3.277 6.097 -8.114 1.00 0.00 C ATOM 333 O THR A 25 3.388 5.008 -7.553 1.00 0.00 O ATOM 334 CB THR A 25 1.818 8.060 -7.368 1.00 0.00 C ATOM 335 OG1 THR A 25 3.111 8.649 -7.478 1.00 0.00 O ATOM 336 CG2 THR A 25 1.670 7.765 -5.874 1.00 0.00 C ATOM 0 H THR A 25 0.619 5.946 -6.794 1.00 0.00 H new ATOM 0 HA THR A 25 1.799 7.064 -9.258 1.00 0.00 H new ATOM 0 HB THR A 25 0.969 8.654 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.136 9.482 -6.962 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.606 8.703 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.764 7.182 -5.706 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.535 7.199 -5.527 1.00 0.00 H new ATOM 344 N ALA A 26 4.281 6.760 -8.669 1.00 0.00 N ATOM 345 CA ALA A 26 5.632 6.225 -8.653 1.00 0.00 C ATOM 346 C ALA A 26 5.894 5.555 -7.303 1.00 0.00 C ATOM 347 O ALA A 26 6.531 4.504 -7.240 1.00 0.00 O ATOM 348 CB ALA A 26 6.629 7.346 -8.951 1.00 0.00 C ATOM 0 H ALA A 26 4.186 7.663 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 26 5.754 5.467 -9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.642 6.944 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.418 7.769 -9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.538 8.125 -8.194 1.00 0.00 H new ATOM 354 N GLU A 27 5.389 6.189 -6.255 1.00 0.00 N ATOM 355 CA GLU A 27 5.560 5.668 -4.910 1.00 0.00 C ATOM 356 C GLU A 27 4.864 4.312 -4.773 1.00 0.00 C ATOM 357 O GLU A 27 5.523 3.280 -4.664 1.00 0.00 O ATOM 358 CB GLU A 27 5.040 6.659 -3.867 1.00 0.00 C ATOM 359 CG GLU A 27 6.039 6.822 -2.719 1.00 0.00 C ATOM 360 CD GLU A 27 5.491 7.763 -1.645 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.346 7.518 -1.207 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.229 8.706 -1.286 1.00 0.00 O ATOM 0 H GLU A 27 4.861 7.060 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 27 6.626 5.527 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.860 7.626 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.084 6.312 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.255 5.848 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.981 7.213 -3.104 1.00 0.00 H new ATOM 369 N GLN A 28 3.540 4.360 -4.784 1.00 0.00 N ATOM 370 CA GLN A 28 2.747 3.148 -4.663 1.00 0.00 C ATOM 371 C GLN A 28 3.237 2.091 -5.655 1.00 0.00 C ATOM 372 O GLN A 28 3.402 0.927 -5.295 1.00 0.00 O ATOM 373 CB GLN A 28 1.259 3.444 -4.867 1.00 0.00 C ATOM 374 CG GLN A 28 0.765 4.489 -3.864 1.00 0.00 C ATOM 375 CD GLN A 28 0.780 3.931 -2.439 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.233 3.528 -1.892 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.983 3.931 -1.871 1.00 0.00 N ATOM 0 H GLN A 28 2.997 5.218 -4.875 1.00 0.00 H new ATOM 0 HA GLN A 28 2.871 2.755 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.092 3.802 -5.883 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.683 2.526 -4.754 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.396 5.376 -3.918 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.246 4.800 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.790 4.283 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.098 3.579 -0.921 1.00 0.00 H new ATOM 386 N LYS A 29 3.455 2.535 -6.884 1.00 0.00 N ATOM 387 CA LYS A 29 3.923 1.642 -7.930 1.00 0.00 C ATOM 388 C LYS A 29 5.213 0.959 -7.472 1.00 0.00 C ATOM 389 O LYS A 29 5.263 -0.264 -7.351 1.00 0.00 O ATOM 390 CB LYS A 29 4.063 2.396 -9.255 1.00 0.00 C ATOM 391 CG LYS A 29 3.181 1.770 -10.337 1.00 0.00 C ATOM 392 CD LYS A 29 3.638 2.199 -11.733 1.00 0.00 C ATOM 393 CE LYS A 29 3.501 3.712 -11.913 1.00 0.00 C ATOM 394 NZ LYS A 29 2.945 4.026 -13.248 1.00 0.00 N ATOM 0 H LYS A 29 3.316 3.502 -7.179 1.00 0.00 H new ATOM 0 HA LYS A 29 3.193 0.854 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.786 3.441 -9.114 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.104 2.383 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.217 0.684 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.144 2.067 -10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.676 1.903 -11.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.044 1.684 -12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.853 4.119 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.475 4.188 -11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.858 5.057 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.579 3.654 -13.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.007 3.588 -13.345 1.00 0.00 H new ATOM 408 N GLU A 30 6.225 1.779 -7.230 1.00 0.00 N ATOM 409 CA GLU A 30 7.512 1.268 -6.788 1.00 0.00 C ATOM 410 C GLU A 30 7.349 0.464 -5.497 1.00 0.00 C ATOM 411 O GLU A 30 7.888 -0.635 -5.373 1.00 0.00 O ATOM 412 CB GLU A 30 8.519 2.406 -6.602 1.00 0.00 C ATOM 413 CG GLU A 30 8.937 2.994 -7.952 1.00 0.00 C ATOM 414 CD GLU A 30 10.460 3.093 -8.058 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.123 2.125 -7.628 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.926 4.135 -8.567 1.00 0.00 O ATOM 0 H GLU A 30 6.180 2.793 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 30 7.902 0.604 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.080 3.187 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.398 2.036 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.552 2.371 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.495 3.983 -8.075 1.00 0.00 H new ATOM 423 N ARG A 31 6.604 1.043 -4.567 1.00 0.00 N ATOM 424 CA ARG A 31 6.363 0.394 -3.289 1.00 0.00 C ATOM 425 C ARG A 31 5.916 -1.053 -3.505 1.00 0.00 C ATOM 426 O ARG A 31 6.494 -1.977 -2.936 1.00 0.00 O ATOM 427 CB ARG A 31 5.293 1.137 -2.487 1.00 0.00 C ATOM 428 CG ARG A 31 5.785 2.525 -2.071 1.00 0.00 C ATOM 429 CD ARG A 31 6.360 2.501 -0.654 1.00 0.00 C ATOM 430 NE ARG A 31 7.839 2.502 -0.707 1.00 0.00 N ATOM 431 CZ ARG A 31 8.629 2.637 0.366 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.087 2.783 1.583 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.961 2.627 0.223 1.00 0.00 N ATOM 0 H ARG A 31 6.159 1.955 -4.673 1.00 0.00 H new ATOM 0 HA ARG A 31 7.297 0.409 -2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.386 1.233 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.031 0.559 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.547 2.869 -2.771 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.961 3.237 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.007 3.368 -0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.008 1.616 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 31 8.285 2.393 -1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.073 2.791 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.689 2.886 2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.374 2.517 -0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.562 2.730 1.040 1.00 0.00 H new ATOM 447 N MET A 32 4.890 -1.205 -4.330 1.00 0.00 N ATOM 448 CA MET A 32 4.358 -2.524 -4.628 1.00 0.00 C ATOM 449 C MET A 32 5.379 -3.365 -5.397 1.00 0.00 C ATOM 450 O MET A 32 5.593 -4.534 -5.076 1.00 0.00 O ATOM 451 CB MET A 32 3.081 -2.384 -5.459 1.00 0.00 C ATOM 452 CG MET A 32 1.947 -1.784 -4.626 1.00 0.00 C ATOM 453 SD MET A 32 0.380 -2.070 -5.431 1.00 0.00 S ATOM 454 CE MET A 32 -0.016 -0.404 -5.937 1.00 0.00 C ATOM 0 H MET A 32 4.413 -0.436 -4.801 1.00 0.00 H new ATOM 0 HA MET A 32 4.136 -3.027 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.274 -1.751 -6.325 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.781 -3.361 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.941 -2.229 -3.631 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.108 -0.714 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.049 -0.364 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.111 0.273 -5.092 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.648 -0.102 -6.747 1.00 0.00 H new ATOM 464 N LEU A 33 5.981 -2.739 -6.397 1.00 0.00 N ATOM 465 CA LEU A 33 6.974 -3.415 -7.214 1.00 0.00 C ATOM 466 C LEU A 33 8.095 -3.942 -6.315 1.00 0.00 C ATOM 467 O LEU A 33 8.497 -5.099 -6.432 1.00 0.00 O ATOM 468 CB LEU A 33 7.465 -2.494 -8.333 1.00 0.00 C ATOM 469 CG LEU A 33 6.927 -2.795 -9.733 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.438 -1.517 -10.418 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.970 -3.534 -10.574 1.00 0.00 C ATOM 0 H LEU A 33 5.800 -1.770 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 33 6.533 -4.278 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.199 -1.469 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.553 -2.542 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 33 6.067 -3.457 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.061 -1.758 -11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.640 -1.069 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.265 -0.812 -10.505 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.562 -3.736 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.864 -2.918 -10.668 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.228 -4.476 -10.089 1.00 0.00 H new ATOM 483 N ALA A 34 8.567 -3.069 -5.438 1.00 0.00 N ATOM 484 CA ALA A 34 9.633 -3.432 -4.520 1.00 0.00 C ATOM 485 C ALA A 34 9.145 -4.547 -3.594 1.00 0.00 C ATOM 486 O ALA A 34 9.937 -5.369 -3.135 1.00 0.00 O ATOM 487 CB ALA A 34 10.087 -2.191 -3.749 1.00 0.00 C ATOM 0 H ALA A 34 8.231 -2.111 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 34 10.497 -3.811 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.887 -2.463 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.452 -1.440 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.246 -1.784 -3.187 1.00 0.00 H new ATOM 493 N LEU A 35 7.843 -4.540 -3.346 1.00 0.00 N ATOM 494 CA LEU A 35 7.240 -5.542 -2.483 1.00 0.00 C ATOM 495 C LEU A 35 7.115 -6.860 -3.249 1.00 0.00 C ATOM 496 O LEU A 35 7.587 -7.898 -2.788 1.00 0.00 O ATOM 497 CB LEU A 35 5.914 -5.032 -1.915 1.00 0.00 C ATOM 498 CG LEU A 35 5.031 -6.077 -1.231 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.372 -6.194 0.256 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.548 -5.774 -1.457 1.00 0.00 C ATOM 0 H LEU A 35 7.189 -3.856 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 35 7.877 -5.734 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.130 -4.241 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.344 -4.579 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 35 5.234 -7.047 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.730 -6.944 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.415 -6.491 0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.214 -5.231 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.942 -6.532 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.310 -4.793 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.334 -5.781 -2.526 1.00 0.00 H new ATOM 512 N ALA A 36 6.475 -6.777 -4.406 1.00 0.00 N ATOM 513 CA ALA A 36 6.281 -7.950 -5.241 1.00 0.00 C ATOM 514 C ALA A 36 7.640 -8.581 -5.550 1.00 0.00 C ATOM 515 O ALA A 36 7.713 -9.738 -5.961 1.00 0.00 O ATOM 516 CB ALA A 36 5.519 -7.556 -6.508 1.00 0.00 C ATOM 0 H ALA A 36 6.084 -5.915 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 36 5.682 -8.697 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.374 -8.436 -7.134 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.549 -7.141 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.091 -6.809 -7.059 1.00 0.00 H new ATOM 522 N GLU A 37 8.684 -7.792 -5.341 1.00 0.00 N ATOM 523 CA GLU A 37 10.037 -8.258 -5.593 1.00 0.00 C ATOM 524 C GLU A 37 10.638 -8.856 -4.319 1.00 0.00 C ATOM 525 O GLU A 37 11.720 -9.441 -4.354 1.00 0.00 O ATOM 526 CB GLU A 37 10.915 -7.128 -6.135 1.00 0.00 C ATOM 527 CG GLU A 37 10.746 -6.981 -7.649 1.00 0.00 C ATOM 528 CD GLU A 37 12.016 -6.417 -8.290 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.228 -5.193 -8.149 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.747 -7.223 -8.906 1.00 0.00 O ATOM 0 H GLU A 37 8.620 -6.833 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 37 9.996 -9.038 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.653 -6.191 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.960 -7.330 -5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.512 -7.951 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.904 -6.323 -7.862 1.00 0.00 H new ATOM 537 N ARG A 38 9.910 -8.689 -3.225 1.00 0.00 N ATOM 538 CA ARG A 38 10.358 -9.205 -1.943 1.00 0.00 C ATOM 539 C ARG A 38 9.519 -10.419 -1.537 1.00 0.00 C ATOM 540 O ARG A 38 9.917 -11.189 -0.664 1.00 0.00 O ATOM 541 CB ARG A 38 10.256 -8.136 -0.853 1.00 0.00 C ATOM 542 CG ARG A 38 8.848 -8.095 -0.255 1.00 0.00 C ATOM 543 CD ARG A 38 8.841 -8.653 1.170 1.00 0.00 C ATOM 544 NE ARG A 38 8.940 -7.546 2.147 1.00 0.00 N ATOM 545 CZ ARG A 38 9.227 -7.713 3.445 1.00 0.00 C ATOM 546 NH1 ARG A 38 9.444 -8.943 3.930 1.00 0.00 N ATOM 547 NH2 ARG A 38 9.296 -6.650 4.259 1.00 0.00 N ATOM 0 H ARG A 38 9.013 -8.204 -3.200 1.00 0.00 H new ATOM 0 HA ARG A 38 11.402 -9.500 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.983 -8.342 -0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.506 -7.161 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.481 -7.069 -0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.167 -8.673 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.927 -9.221 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.674 -9.343 1.304 1.00 0.00 H new ATOM 0 HE ARG A 38 8.780 -6.596 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.391 -9.752 3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.663 -9.070 4.918 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.130 -5.714 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.515 -6.778 5.247 1.00 0.00 H new ATOM 561 N ILE A 39 8.374 -10.552 -2.190 1.00 0.00 N ATOM 562 CA ILE A 39 7.475 -11.658 -1.908 1.00 0.00 C ATOM 563 C ILE A 39 7.453 -12.609 -3.106 1.00 0.00 C ATOM 564 O ILE A 39 7.299 -13.819 -2.941 1.00 0.00 O ATOM 565 CB ILE A 39 6.093 -11.138 -1.509 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.463 -10.330 -2.646 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.162 -10.338 -0.207 1.00 0.00 C ATOM 568 CD1 ILE A 39 4.112 -9.749 -2.222 1.00 0.00 C ATOM 0 H ILE A 39 8.048 -9.912 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 39 7.832 -12.231 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 39 5.445 -11.995 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.134 -9.523 -2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.331 -10.967 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.166 -9.980 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.539 -10.976 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.830 -9.487 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.686 -9.179 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.435 -10.560 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.252 -9.093 -1.363 1.00 0.00 H new ATOM 580 N GLY A 40 7.609 -12.027 -4.286 1.00 0.00 N ATOM 581 CA GLY A 40 7.609 -12.808 -5.511 1.00 0.00 C ATOM 582 C GLY A 40 6.296 -12.627 -6.276 1.00 0.00 C ATOM 583 O GLY A 40 5.888 -13.507 -7.033 1.00 0.00 O ATOM 0 H GLY A 40 7.736 -11.024 -4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.446 -12.504 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.754 -13.862 -5.275 1.00 0.00 H new ATOM 587 N TRP A 41 5.671 -11.481 -6.052 1.00 0.00 N ATOM 588 CA TRP A 41 4.412 -11.174 -6.710 1.00 0.00 C ATOM 589 C TRP A 41 3.387 -12.226 -6.284 1.00 0.00 C ATOM 590 O TRP A 41 2.580 -12.677 -7.096 1.00 0.00 O ATOM 591 CB TRP A 41 4.592 -11.095 -8.228 1.00 0.00 C ATOM 592 CG TRP A 41 5.709 -10.149 -8.674 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.028 -10.279 -8.477 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.549 -8.914 -9.404 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.728 -9.223 -9.025 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.800 -8.367 -9.607 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.387 -8.282 -9.878 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.008 -7.161 -10.287 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.612 -7.077 -10.556 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.864 -6.513 -10.768 1.00 0.00 C ATOM 0 H TRP A 41 6.013 -10.753 -5.424 1.00 0.00 H new ATOM 0 HA TRP A 41 4.049 -10.192 -6.408 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.801 -12.094 -8.611 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.654 -10.771 -8.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.486 -11.106 -7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.740 -9.094 -9.006 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.399 -8.693 -9.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.997 -6.753 -10.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.752 -6.549 -10.941 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.954 -5.578 -11.302 1.00 0.00 H new ATOM 611 N ARG A 42 3.451 -12.587 -5.011 1.00 0.00 N ATOM 612 CA ARG A 42 2.538 -13.578 -4.467 1.00 0.00 C ATOM 613 C ARG A 42 2.089 -13.171 -3.062 1.00 0.00 C ATOM 614 O ARG A 42 2.773 -12.405 -2.385 1.00 0.00 O ATOM 615 CB ARG A 42 3.195 -14.958 -4.405 1.00 0.00 C ATOM 616 CG ARG A 42 2.179 -16.063 -4.699 1.00 0.00 C ATOM 617 CD ARG A 42 2.694 -17.422 -4.221 1.00 0.00 C ATOM 618 NE ARG A 42 2.714 -18.381 -5.349 1.00 0.00 N ATOM 619 CZ ARG A 42 2.821 -19.709 -5.204 1.00 0.00 C ATOM 620 NH1 ARG A 42 2.920 -20.244 -3.980 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.831 -20.502 -6.284 1.00 0.00 N ATOM 0 H ARG A 42 4.121 -12.211 -4.340 1.00 0.00 H new ATOM 0 HA ARG A 42 1.673 -13.630 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.011 -15.009 -5.126 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.631 -15.113 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.234 -15.834 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.978 -16.102 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.696 -17.315 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.057 -17.801 -3.422 1.00 0.00 H new ATOM 0 HE ARG A 42 2.642 -18.008 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.914 -19.641 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.001 -21.255 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.757 -20.095 -7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.912 -21.513 -6.174 1.00 0.00 H new ATOM 635 N ILE A 43 0.942 -13.702 -2.665 1.00 0.00 N ATOM 636 CA ILE A 43 0.393 -13.404 -1.353 1.00 0.00 C ATOM 637 C ILE A 43 0.215 -14.707 -0.571 1.00 0.00 C ATOM 638 O ILE A 43 -0.180 -15.726 -1.137 1.00 0.00 O ATOM 639 CB ILE A 43 -0.892 -12.584 -1.483 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.612 -11.225 -2.126 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.593 -12.446 -0.130 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.728 -10.838 -3.099 1.00 0.00 C ATOM 0 H ILE A 43 0.377 -14.337 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 43 1.084 -12.782 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.573 -13.118 -2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.520 -10.464 -1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.341 -11.258 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.503 -11.859 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.847 -13.435 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.929 -11.945 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.504 -9.868 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.801 -11.588 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.675 -10.782 -2.563 1.00 0.00 H new ATOM 654 N GLN A 44 0.515 -14.633 0.717 1.00 0.00 N ATOM 655 CA GLN A 44 0.393 -15.794 1.582 1.00 0.00 C ATOM 656 C GLN A 44 0.226 -15.356 3.039 1.00 0.00 C ATOM 657 O GLN A 44 0.229 -14.162 3.336 1.00 0.00 O ATOM 658 CB GLN A 44 1.597 -16.725 1.424 1.00 0.00 C ATOM 659 CG GLN A 44 1.397 -17.685 0.250 1.00 0.00 C ATOM 660 CD GLN A 44 1.827 -19.105 0.625 1.00 0.00 C ATOM 661 OE1 GLN A 44 1.635 -19.566 1.738 1.00 0.00 O ATOM 662 NE2 GLN A 44 2.417 -19.771 -0.364 1.00 0.00 N ATOM 0 H GLN A 44 0.842 -13.787 1.183 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.496 -16.351 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.500 -16.135 1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.745 -17.293 2.342 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.349 -17.686 -0.050 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.974 -17.341 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.547 -19.326 -1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.740 -20.727 -0.214 1.00 0.00 H new ATOM 671 N ARG A 45 0.084 -16.345 3.908 1.00 0.00 N ATOM 672 CA ARG A 45 -0.083 -16.077 5.327 1.00 0.00 C ATOM 673 C ARG A 45 1.246 -15.640 5.945 1.00 0.00 C ATOM 674 O ARG A 45 1.303 -15.297 7.125 1.00 0.00 O ATOM 675 CB ARG A 45 -0.599 -17.314 6.064 1.00 0.00 C ATOM 676 CG ARG A 45 -1.071 -16.954 7.475 1.00 0.00 C ATOM 677 CD ARG A 45 0.003 -17.284 8.513 1.00 0.00 C ATOM 678 NE ARG A 45 -0.037 -16.297 9.615 1.00 0.00 N ATOM 679 CZ ARG A 45 0.936 -16.144 10.523 1.00 0.00 C ATOM 680 NH1 ARG A 45 2.032 -16.913 10.466 1.00 0.00 N ATOM 681 NH2 ARG A 45 0.814 -15.223 11.488 1.00 0.00 N ATOM 0 H ARG A 45 0.081 -17.334 3.658 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.815 -15.276 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.421 -17.759 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.190 -18.064 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.313 -15.892 7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.986 -17.500 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.157 -18.288 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.987 -17.278 8.044 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.857 -15.695 9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.125 -17.615 9.731 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.773 -16.797 11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.020 -14.638 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.555 -15.107 12.179 1.00 0.00 H new ATOM 695 N GLN A 46 2.283 -15.667 5.121 1.00 0.00 N ATOM 696 CA GLN A 46 3.608 -15.278 5.572 1.00 0.00 C ATOM 697 C GLN A 46 3.872 -13.808 5.241 1.00 0.00 C ATOM 698 O GLN A 46 4.363 -13.057 6.082 1.00 0.00 O ATOM 699 CB GLN A 46 4.682 -16.180 4.959 1.00 0.00 C ATOM 700 CG GLN A 46 4.566 -17.610 5.490 1.00 0.00 C ATOM 701 CD GLN A 46 5.859 -18.044 6.184 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.782 -18.555 5.571 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.873 -17.813 7.494 1.00 0.00 N ATOM 0 H GLN A 46 2.232 -15.952 4.143 1.00 0.00 H new ATOM 0 HA GLN A 46 3.652 -15.399 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.584 -16.182 3.873 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.670 -15.782 5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.734 -17.675 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.344 -18.290 4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.066 -17.382 7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.691 -18.067 8.048 1.00 0.00 H new ATOM 712 N ASP A 47 3.533 -13.441 4.013 1.00 0.00 N ATOM 713 CA ASP A 47 3.727 -12.074 3.561 1.00 0.00 C ATOM 714 C ASP A 47 2.608 -11.193 4.119 1.00 0.00 C ATOM 715 O ASP A 47 2.722 -9.968 4.125 1.00 0.00 O ATOM 716 CB ASP A 47 3.680 -11.988 2.034 1.00 0.00 C ATOM 717 CG ASP A 47 4.643 -12.925 1.303 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.856 -12.625 1.330 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.145 -13.919 0.733 1.00 0.00 O ATOM 0 H ASP A 47 3.126 -14.067 3.318 1.00 0.00 H new ATOM 0 HA ASP A 47 4.703 -11.738 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.664 -12.206 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.899 -10.963 1.736 1.00 0.00 H new ATOM 724 N ASP A 48 1.552 -11.851 4.575 1.00 0.00 N ATOM 725 CA ASP A 48 0.413 -11.143 5.134 1.00 0.00 C ATOM 726 C ASP A 48 0.913 -9.964 5.972 1.00 0.00 C ATOM 727 O ASP A 48 0.605 -8.811 5.673 1.00 0.00 O ATOM 728 CB ASP A 48 -0.409 -12.055 6.046 1.00 0.00 C ATOM 729 CG ASP A 48 -1.925 -11.954 5.865 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.396 -10.816 5.652 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.579 -13.016 5.944 1.00 0.00 O ATOM 0 H ASP A 48 1.461 -12.867 4.569 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.211 -10.802 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.105 -13.087 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.166 -11.822 7.083 1.00 0.00 H new ATOM 736 N GLU A 49 1.675 -10.293 7.004 1.00 0.00 N ATOM 737 CA GLU A 49 2.220 -9.275 7.887 1.00 0.00 C ATOM 738 C GLU A 49 2.743 -8.091 7.072 1.00 0.00 C ATOM 739 O GLU A 49 2.546 -6.937 7.451 1.00 0.00 O ATOM 740 CB GLU A 49 3.319 -9.855 8.779 1.00 0.00 C ATOM 741 CG GLU A 49 3.225 -9.295 10.199 1.00 0.00 C ATOM 742 CD GLU A 49 4.316 -8.252 10.452 1.00 0.00 C ATOM 743 OE1 GLU A 49 5.440 -8.678 10.791 1.00 0.00 O ATOM 744 OE2 GLU A 49 4.000 -7.053 10.299 1.00 0.00 O ATOM 0 H GLU A 49 1.928 -11.250 7.249 1.00 0.00 H new ATOM 0 HA GLU A 49 1.421 -8.919 8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.234 -10.941 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.296 -9.622 8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.244 -8.845 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.319 -10.107 10.921 1.00 0.00 H new ATOM 751 N VAL A 50 3.399 -8.416 5.968 1.00 0.00 N ATOM 752 CA VAL A 50 3.951 -7.393 5.096 1.00 0.00 C ATOM 753 C VAL A 50 2.824 -6.768 4.272 1.00 0.00 C ATOM 754 O VAL A 50 2.765 -5.549 4.118 1.00 0.00 O ATOM 755 CB VAL A 50 5.065 -7.988 4.232 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.910 -6.885 3.592 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.939 -8.945 5.046 1.00 0.00 C ATOM 0 H VAL A 50 3.561 -9.374 5.657 1.00 0.00 H new ATOM 0 HA VAL A 50 4.405 -6.595 5.683 1.00 0.00 H new ATOM 0 HB VAL A 50 4.598 -8.561 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.695 -7.335 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.276 -6.260 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.362 -6.274 4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.723 -9.354 4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.392 -8.405 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.325 -9.758 5.433 1.00 0.00 H new ATOM 767 N ILE A 51 1.957 -7.632 3.764 1.00 0.00 N ATOM 768 CA ILE A 51 0.835 -7.180 2.959 1.00 0.00 C ATOM 769 C ILE A 51 0.014 -6.166 3.760 1.00 0.00 C ATOM 770 O ILE A 51 -0.082 -5.000 3.378 1.00 0.00 O ATOM 771 CB ILE A 51 0.019 -8.373 2.459 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.900 -9.354 1.683 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.184 -7.909 1.636 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.960 -8.982 0.200 1.00 0.00 C ATOM 0 H ILE A 51 2.009 -8.642 3.894 1.00 0.00 H new ATOM 0 HA ILE A 51 1.190 -6.669 2.064 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.371 -8.907 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.906 -9.355 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.508 -10.365 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.747 -8.777 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.826 -7.281 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.837 -7.338 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.593 -9.695 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.045 -9.006 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.375 -7.980 0.093 1.00 0.00 H new ATOM 786 N GLN A 52 -0.556 -6.647 4.855 1.00 0.00 N ATOM 787 CA GLN A 52 -1.364 -5.797 5.712 1.00 0.00 C ATOM 788 C GLN A 52 -0.565 -4.567 6.147 1.00 0.00 C ATOM 789 O GLN A 52 -1.064 -3.444 6.084 1.00 0.00 O ATOM 790 CB GLN A 52 -1.879 -6.573 6.926 1.00 0.00 C ATOM 791 CG GLN A 52 -3.292 -6.125 7.305 1.00 0.00 C ATOM 792 CD GLN A 52 -3.392 -5.840 8.805 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.449 -6.736 9.631 1.00 0.00 O ATOM 794 NE2 GLN A 52 -3.412 -4.546 9.110 1.00 0.00 N ATOM 0 H GLN A 52 -0.474 -7.614 5.168 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.230 -5.460 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.879 -7.641 6.706 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.207 -6.421 7.771 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.557 -5.230 6.742 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.009 -6.898 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.361 -3.847 8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.478 -4.253 10.085 1.00 0.00 H new ATOM 803 N ARG A 53 0.662 -4.820 6.577 1.00 0.00 N ATOM 804 CA ARG A 53 1.535 -3.747 7.022 1.00 0.00 C ATOM 805 C ARG A 53 1.735 -2.726 5.900 1.00 0.00 C ATOM 806 O ARG A 53 1.606 -1.523 6.121 1.00 0.00 O ATOM 807 CB ARG A 53 2.898 -4.290 7.457 1.00 0.00 C ATOM 808 CG ARG A 53 3.909 -3.156 7.635 1.00 0.00 C ATOM 809 CD ARG A 53 3.515 -2.250 8.804 1.00 0.00 C ATOM 810 NE ARG A 53 4.604 -1.288 9.087 1.00 0.00 N ATOM 811 CZ ARG A 53 4.656 -0.513 10.179 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.683 -0.583 11.098 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.682 0.331 10.353 1.00 0.00 N ATOM 0 H ARG A 53 1.073 -5.752 6.627 1.00 0.00 H new ATOM 0 HA ARG A 53 1.059 -3.265 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.793 -4.838 8.393 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.266 -4.997 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.901 -3.572 7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.968 -2.569 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.597 -1.713 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.311 -2.852 9.689 1.00 0.00 H new ATOM 0 HE ARG A 53 5.362 -1.210 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.903 -1.226 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.723 0.007 11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.423 0.384 9.654 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.722 0.921 11.184 1.00 0.00 H new ATOM 827 N PHE A 54 2.048 -3.243 4.721 1.00 0.00 N ATOM 828 CA PHE A 54 2.267 -2.392 3.564 1.00 0.00 C ATOM 829 C PHE A 54 1.064 -1.479 3.319 1.00 0.00 C ATOM 830 O PHE A 54 1.215 -0.370 2.810 1.00 0.00 O ATOM 831 CB PHE A 54 2.446 -3.315 2.357 1.00 0.00 C ATOM 832 CG PHE A 54 2.443 -2.586 1.011 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.264 -2.251 0.423 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.619 -2.275 0.404 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.261 -1.575 -0.826 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.616 -1.599 -0.845 1.00 0.00 C ATOM 837 CZ PHE A 54 2.437 -1.263 -1.434 1.00 0.00 C ATOM 0 H PHE A 54 2.155 -4.241 4.542 1.00 0.00 H new ATOM 0 HA PHE A 54 3.141 -1.761 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.386 -3.857 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.648 -4.057 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.330 -2.499 0.905 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.555 -2.542 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.324 -1.309 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.550 -1.352 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.435 -0.749 -2.384 1.00 0.00 H new ATOM 847 N CYS A 55 -0.104 -1.980 3.694 1.00 0.00 N ATOM 848 CA CYS A 55 -1.333 -1.223 3.521 1.00 0.00 C ATOM 849 C CYS A 55 -1.358 -0.104 4.563 1.00 0.00 C ATOM 850 O CYS A 55 -2.200 0.790 4.499 1.00 0.00 O ATOM 851 CB CYS A 55 -2.568 -2.121 3.618 1.00 0.00 C ATOM 852 SG CYS A 55 -4.086 -1.121 3.407 1.00 0.00 S ATOM 0 H CYS A 55 -0.226 -2.900 4.117 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.358 -0.788 2.522 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.525 -2.897 2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.586 -2.626 4.584 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.479 -1.184 2.169 1.00 0.00 H new ATOM 858 N GLN A 56 -0.423 -0.188 5.499 1.00 0.00 N ATOM 859 CA GLN A 56 -0.327 0.807 6.553 1.00 0.00 C ATOM 860 C GLN A 56 0.675 1.896 6.166 1.00 0.00 C ATOM 861 O GLN A 56 0.645 2.996 6.715 1.00 0.00 O ATOM 862 CB GLN A 56 0.054 0.159 7.886 1.00 0.00 C ATOM 863 CG GLN A 56 -0.903 -0.983 8.234 1.00 0.00 C ATOM 864 CD GLN A 56 -1.587 -0.733 9.580 1.00 0.00 C ATOM 865 OE1 GLN A 56 -1.779 0.393 10.009 1.00 0.00 O ATOM 866 NE2 GLN A 56 -1.944 -1.843 10.220 1.00 0.00 N ATOM 0 H GLN A 56 0.275 -0.930 5.549 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.306 1.270 6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.074 -0.221 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.035 0.908 8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.656 -1.083 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.354 -1.924 8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.754 -2.755 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.408 -1.782 11.126 1.00 0.00 H new ATOM 875 N GLU A 57 1.540 1.551 5.223 1.00 0.00 N ATOM 876 CA GLU A 57 2.550 2.485 4.756 1.00 0.00 C ATOM 877 C GLU A 57 2.104 3.138 3.446 1.00 0.00 C ATOM 878 O GLU A 57 2.368 4.317 3.214 1.00 0.00 O ATOM 879 CB GLU A 57 3.903 1.792 4.589 1.00 0.00 C ATOM 880 CG GLU A 57 3.951 0.986 3.289 1.00 0.00 C ATOM 881 CD GLU A 57 5.363 0.464 3.019 1.00 0.00 C ATOM 882 OE1 GLU A 57 5.945 -0.113 3.963 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.829 0.653 1.875 1.00 0.00 O ATOM 0 H GLU A 57 1.562 0.637 4.770 1.00 0.00 H new ATOM 0 HA GLU A 57 2.669 3.266 5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.699 2.537 4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.084 1.132 5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.256 0.149 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.625 1.611 2.457 1.00 0.00 H new ATOM 890 N THR A 58 1.435 2.343 2.623 1.00 0.00 N ATOM 891 CA THR A 58 0.950 2.829 1.343 1.00 0.00 C ATOM 892 C THR A 58 -0.527 3.218 1.445 1.00 0.00 C ATOM 893 O THR A 58 -0.906 4.329 1.079 1.00 0.00 O ATOM 894 CB THR A 58 1.222 1.749 0.293 1.00 0.00 C ATOM 895 OG1 THR A 58 0.495 0.617 0.763 1.00 0.00 O ATOM 896 CG2 THR A 58 2.680 1.284 0.297 1.00 0.00 C ATOM 0 H THR A 58 1.218 1.366 2.818 1.00 0.00 H new ATOM 0 HA THR A 58 1.473 3.736 1.041 1.00 0.00 H new ATOM 0 HB THR A 58 0.965 2.130 -0.695 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.099 -0.151 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.820 0.518 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.333 2.131 0.085 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.928 0.871 1.275 1.00 0.00 H new ATOM 904 N GLY A 59 -1.320 2.281 1.943 1.00 0.00 N ATOM 905 CA GLY A 59 -2.746 2.512 2.098 1.00 0.00 C ATOM 906 C GLY A 59 -3.543 1.752 1.036 1.00 0.00 C ATOM 907 O GLY A 59 -4.768 1.848 0.987 1.00 0.00 O ATOM 0 H GLY A 59 -1.002 1.360 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.063 2.196 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.956 3.579 2.021 1.00 0.00 H new ATOM 911 N VAL A 60 -2.814 1.014 0.211 1.00 0.00 N ATOM 912 CA VAL A 60 -3.438 0.239 -0.848 1.00 0.00 C ATOM 913 C VAL A 60 -4.134 -0.980 -0.239 1.00 0.00 C ATOM 914 O VAL A 60 -3.626 -1.583 0.705 1.00 0.00 O ATOM 915 CB VAL A 60 -2.397 -0.134 -1.906 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.011 -1.024 -2.989 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.764 1.117 -2.517 1.00 0.00 C ATOM 0 H VAL A 60 -1.798 0.937 0.255 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.201 0.830 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.607 -0.702 -1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.250 -1.275 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.392 -1.939 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.829 -0.493 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.028 0.824 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.538 1.724 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.274 1.696 -1.734 1.00 0.00 H new ATOM 927 N PRO A 61 -5.318 -1.315 -0.819 1.00 0.00 N ATOM 928 CA PRO A 61 -6.089 -2.451 -0.343 1.00 0.00 C ATOM 929 C PRO A 61 -5.456 -3.770 -0.791 1.00 0.00 C ATOM 930 O PRO A 61 -4.953 -3.873 -1.909 1.00 0.00 O ATOM 931 CB PRO A 61 -7.486 -2.241 -0.905 1.00 0.00 C ATOM 932 CG PRO A 61 -7.331 -1.252 -2.049 1.00 0.00 C ATOM 933 CD PRO A 61 -5.951 -0.625 -1.939 1.00 0.00 C ATOM 0 HA PRO A 61 -6.117 -2.515 0.745 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.911 -3.181 -1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.160 -1.852 -0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.446 -1.757 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.104 -0.485 -1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.381 -0.758 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.017 0.448 -1.757 1.00 0.00 H new ATOM 941 N ARG A 62 -5.502 -4.746 0.104 1.00 0.00 N ATOM 942 CA ARG A 62 -4.940 -6.054 -0.185 1.00 0.00 C ATOM 943 C ARG A 62 -5.444 -6.561 -1.538 1.00 0.00 C ATOM 944 O ARG A 62 -4.649 -6.884 -2.419 1.00 0.00 O ATOM 945 CB ARG A 62 -5.311 -7.065 0.901 1.00 0.00 C ATOM 946 CG ARG A 62 -4.833 -8.470 0.528 1.00 0.00 C ATOM 947 CD ARG A 62 -4.901 -9.410 1.734 1.00 0.00 C ATOM 948 NE ARG A 62 -5.757 -10.576 1.418 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.187 -11.460 2.329 1.00 0.00 C ATOM 950 NH1 ARG A 62 -5.845 -11.316 3.616 1.00 0.00 N ATOM 951 NH2 ARG A 62 -6.960 -12.487 1.952 1.00 0.00 N ATOM 0 H ARG A 62 -5.920 -4.657 1.030 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.855 -5.950 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.865 -6.765 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.392 -7.071 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.448 -8.865 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.810 -8.423 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.899 -9.746 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.300 -8.879 2.598 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.037 -10.715 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.257 -10.533 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.172 -11.989 4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.221 -12.596 0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.287 -13.160 2.645 1.00 0.00 H new ATOM 965 N GLN A 63 -6.762 -6.615 -1.660 1.00 0.00 N ATOM 966 CA GLN A 63 -7.382 -7.078 -2.890 1.00 0.00 C ATOM 967 C GLN A 63 -6.731 -6.402 -4.099 1.00 0.00 C ATOM 968 O GLN A 63 -6.653 -6.990 -5.176 1.00 0.00 O ATOM 969 CB GLN A 63 -8.891 -6.830 -2.871 1.00 0.00 C ATOM 970 CG GLN A 63 -9.632 -7.892 -3.686 1.00 0.00 C ATOM 971 CD GLN A 63 -11.101 -7.511 -3.877 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.800 -7.144 -2.947 1.00 0.00 O ATOM 973 NE2 GLN A 63 -11.529 -7.618 -5.132 1.00 0.00 N ATOM 0 H GLN A 63 -7.418 -6.346 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.225 -8.154 -2.970 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.252 -6.839 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.106 -5.841 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.154 -8.008 -4.658 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.565 -8.855 -3.180 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.891 -7.932 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.495 -7.386 -5.363 1.00 0.00 H new ATOM 982 N VAL A 64 -6.279 -5.176 -3.879 1.00 0.00 N ATOM 983 CA VAL A 64 -5.638 -4.414 -4.937 1.00 0.00 C ATOM 984 C VAL A 64 -4.179 -4.857 -5.065 1.00 0.00 C ATOM 985 O VAL A 64 -3.704 -5.129 -6.166 1.00 0.00 O ATOM 986 CB VAL A 64 -5.786 -2.915 -4.666 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.627 -2.130 -5.282 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.132 -2.397 -5.176 1.00 0.00 C ATOM 0 H VAL A 64 -6.344 -4.692 -2.984 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.122 -4.607 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.756 -2.764 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.756 -1.068 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.686 -2.472 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.611 -2.290 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.212 -1.329 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.204 -2.567 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.940 -2.925 -4.670 1.00 0.00 H new ATOM 998 N LEU A 65 -3.509 -4.915 -3.924 1.00 0.00 N ATOM 999 CA LEU A 65 -2.114 -5.319 -3.895 1.00 0.00 C ATOM 1000 C LEU A 65 -1.982 -6.724 -4.486 1.00 0.00 C ATOM 1001 O LEU A 65 -0.887 -7.148 -4.852 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.548 -5.193 -2.478 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.025 -5.267 -2.355 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.483 -6.676 -2.666 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.648 -4.209 -3.232 1.00 0.00 C ATOM 0 H LEU A 65 -3.907 -4.689 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.512 -4.654 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.881 -4.244 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.981 -5.982 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 65 0.245 -5.048 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.569 -6.701 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.041 -7.385 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.201 -6.948 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.730 -4.283 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.373 -4.372 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.320 -3.217 -2.921 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.115 -7.408 -4.561 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.140 -8.757 -5.102 1.00 0.00 C ATOM 1019 C LYS A 66 -3.238 -8.688 -6.628 1.00 0.00 C ATOM 1020 O LYS A 66 -2.283 -9.017 -7.330 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.257 -9.575 -4.450 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.660 -10.755 -5.336 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.459 -11.790 -4.541 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.929 -11.791 -4.964 1.00 0.00 C ATOM 1025 NZ LYS A 66 -7.134 -12.689 -6.122 1.00 0.00 N ATOM 0 H LYS A 66 -4.022 -7.054 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.214 -9.280 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.925 -9.942 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.123 -8.937 -4.271 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.256 -10.397 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.768 -11.222 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.032 -12.781 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.384 -11.573 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.553 -12.114 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.240 -10.779 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.137 -12.678 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.553 -12.364 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.856 -13.657 -5.864 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.401 -8.259 -7.095 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.636 -8.142 -8.524 1.00 0.00 C ATOM 1041 C VAL A 67 -3.550 -7.263 -9.146 1.00 0.00 C ATOM 1042 O VAL A 67 -2.967 -7.619 -10.168 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.050 -7.617 -8.781 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.102 -8.616 -8.294 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.252 -6.247 -8.131 1.00 0.00 C ATOM 0 H VAL A 67 -5.191 -7.988 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.575 -9.120 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.174 -7.498 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.098 -8.219 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.979 -9.561 -8.823 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.979 -8.781 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.265 -5.896 -8.329 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.100 -6.329 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.535 -5.538 -8.546 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.310 -6.130 -8.502 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.304 -5.196 -8.979 1.00 0.00 C ATOM 1057 C TRP A 68 -1.138 -6.007 -9.547 1.00 0.00 C ATOM 1058 O TRP A 68 -0.829 -5.908 -10.733 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.878 -4.234 -7.868 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.792 -3.241 -8.286 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.950 -2.000 -8.767 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.634 -3.457 -8.242 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.265 -1.403 -9.035 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.259 -2.317 -8.705 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.372 -4.579 -7.825 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.650 -2.188 -8.795 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.761 -4.434 -7.920 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.405 -3.293 -8.385 1.00 0.00 C ATOM 0 H TRP A 68 -3.795 -5.838 -7.654 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.708 -4.565 -9.771 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.752 -3.679 -7.528 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.518 -4.814 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.908 -1.527 -8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.407 -0.464 -9.407 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.904 -5.481 -7.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.115 -1.285 -9.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.375 -5.267 -7.610 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.484 -3.259 -8.430 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.523 -6.791 -8.674 1.00 0.00 N ATOM 1080 CA LEU A 69 0.602 -7.619 -9.074 1.00 0.00 C ATOM 1081 C LEU A 69 0.302 -8.259 -10.431 1.00 0.00 C ATOM 1082 O LEU A 69 1.103 -8.160 -11.359 1.00 0.00 O ATOM 1083 CB LEU A 69 0.939 -8.631 -7.978 1.00 0.00 C ATOM 1084 CG LEU A 69 1.216 -8.050 -6.590 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.832 -9.044 -5.492 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.671 -7.595 -6.467 1.00 0.00 C ATOM 0 H LEU A 69 -0.783 -6.870 -7.691 1.00 0.00 H new ATOM 0 HA LEU A 69 1.497 -7.010 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.112 -9.337 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.814 -9.200 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 69 0.590 -7.168 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.039 -8.606 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.230 -9.277 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.413 -9.959 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.841 -7.186 -5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.333 -8.446 -6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.877 -6.828 -7.214 1.00 0.00 H new