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 Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 81:sc= -0.564 USER MOD Single : A 28 GLN : amide:sc= -6.01! C(o=-6!,f=-6.6!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -127:sc= -4.46! (180deg=-7.64!) USER MOD Single : A 44 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 46 GLN : amide:sc=-0.00206 X(o=-0.0021,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 98:sc= -0.283 USER MOD Single : A 56 GLN : amide:sc= -4.28! C(o=-4.3!,f=-6.7!) USER MOD Single : A 58 THR OG1 : rot -139:sc= 0.634 USER MOD Single : A 63 GLN : amide:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -4.913 4.745 -8.158 1.00 0.00 N ATOM 289 CA LYS A 23 -4.005 5.722 -8.734 1.00 0.00 C ATOM 290 C LYS A 23 -2.628 5.580 -8.082 1.00 0.00 C ATOM 291 O LYS A 23 -2.191 6.464 -7.347 1.00 0.00 O ATOM 292 CB LYS A 23 -4.594 7.130 -8.625 1.00 0.00 C ATOM 293 CG LYS A 23 -4.811 7.743 -10.010 1.00 0.00 C ATOM 294 CD LYS A 23 -3.509 8.327 -10.561 1.00 0.00 C ATOM 295 CE LYS A 23 -3.421 9.829 -10.282 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.492 10.596 -11.545 1.00 0.00 N ATOM 0 HA LYS A 23 -3.874 5.537 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.542 7.091 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.925 7.764 -8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.190 6.983 -10.693 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.568 8.525 -9.951 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.658 7.819 -10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.452 8.149 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.233 10.130 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.489 10.055 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.431 11.613 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.702 10.321 -12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.393 10.394 -12.024 1.00 0.00 H new ATOM 310 N PHE A 24 -1.984 4.460 -8.374 1.00 0.00 N ATOM 311 CA PHE A 24 -0.666 4.190 -7.826 1.00 0.00 C ATOM 312 C PHE A 24 0.393 5.079 -8.481 1.00 0.00 C ATOM 313 O PHE A 24 0.633 4.981 -9.684 1.00 0.00 O ATOM 314 CB PHE A 24 -0.345 2.726 -8.131 1.00 0.00 C ATOM 315 CG PHE A 24 -1.532 1.777 -7.947 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.259 1.813 -6.798 1.00 0.00 C ATOM 317 CD2 PHE A 24 -1.859 0.899 -8.932 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.361 0.933 -6.628 1.00 0.00 C ATOM 319 CE2 PHE A 24 -2.961 0.019 -8.761 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.688 0.055 -7.613 1.00 0.00 C ATOM 0 H PHE A 24 -2.351 3.729 -8.983 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.660 4.393 -6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.012 2.649 -9.158 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.470 2.401 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.999 2.510 -6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.281 0.871 -9.844 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.939 0.961 -5.716 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.221 -0.679 -9.543 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.526 -0.614 -7.483 1.00 0.00 H new ATOM 330 N THR A 25 0.999 5.926 -7.661 1.00 0.00 N ATOM 331 CA THR A 25 2.027 6.831 -8.146 1.00 0.00 C ATOM 332 C THR A 25 3.411 6.200 -7.987 1.00 0.00 C ATOM 333 O THR A 25 3.544 5.122 -7.410 1.00 0.00 O ATOM 334 CB THR A 25 1.875 8.160 -7.403 1.00 0.00 C ATOM 335 OG1 THR A 25 3.103 8.839 -7.653 1.00 0.00 O ATOM 336 CG2 THR A 25 1.851 7.981 -5.884 1.00 0.00 C ATOM 0 H THR A 25 0.798 6.004 -6.664 1.00 0.00 H new ATOM 0 HA THR A 25 1.914 7.024 -9.213 1.00 0.00 H new ATOM 0 HB THR A 25 0.958 8.654 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.071 9.258 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.742 8.954 -5.405 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.012 7.343 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.782 7.518 -5.557 1.00 0.00 H new ATOM 344 N ALA A 26 4.409 6.899 -8.510 1.00 0.00 N ATOM 345 CA ALA A 26 5.778 6.421 -8.433 1.00 0.00 C ATOM 346 C ALA A 26 6.002 5.741 -7.081 1.00 0.00 C ATOM 347 O ALA A 26 6.615 4.677 -7.011 1.00 0.00 O ATOM 348 CB ALA A 26 6.740 7.588 -8.664 1.00 0.00 C ATOM 0 H ALA A 26 4.296 7.793 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 26 5.970 5.681 -9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.768 7.229 -8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.561 8.018 -9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.578 8.349 -7.901 1.00 0.00 H new ATOM 354 N GLU A 27 5.492 6.383 -6.040 1.00 0.00 N ATOM 355 CA GLU A 27 5.628 5.854 -4.694 1.00 0.00 C ATOM 356 C GLU A 27 4.931 4.496 -4.584 1.00 0.00 C ATOM 357 O GLU A 27 5.590 3.462 -4.482 1.00 0.00 O ATOM 358 CB GLU A 27 5.077 6.837 -3.659 1.00 0.00 C ATOM 359 CG GLU A 27 6.009 6.940 -2.450 1.00 0.00 C ATOM 360 CD GLU A 27 5.332 7.684 -1.298 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.956 8.855 -1.521 1.00 0.00 O ATOM 362 OE2 GLU A 27 5.205 7.065 -0.219 1.00 0.00 O ATOM 0 H GLU A 27 4.984 7.265 -6.102 1.00 0.00 H new ATOM 0 HA GLU A 27 6.689 5.715 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.956 7.820 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.089 6.512 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.298 5.941 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.924 7.459 -2.735 1.00 0.00 H new ATOM 369 N GLN A 28 3.607 4.542 -4.610 1.00 0.00 N ATOM 370 CA GLN A 28 2.813 3.329 -4.515 1.00 0.00 C ATOM 371 C GLN A 28 3.336 2.275 -5.493 1.00 0.00 C ATOM 372 O GLN A 28 3.509 1.114 -5.127 1.00 0.00 O ATOM 373 CB GLN A 28 1.332 3.621 -4.764 1.00 0.00 C ATOM 374 CG GLN A 28 0.803 4.655 -3.767 1.00 0.00 C ATOM 375 CD GLN A 28 0.807 4.096 -2.343 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.204 3.663 -1.815 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.998 4.130 -1.752 1.00 0.00 N ATOM 0 H GLN A 28 3.064 5.401 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 28 2.906 2.936 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.196 3.988 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.756 2.699 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.417 5.554 -3.810 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.210 4.947 -4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.804 4.506 -2.251 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.105 3.780 -0.800 1.00 0.00 H new ATOM 386 N LYS A 29 3.573 2.718 -6.720 1.00 0.00 N ATOM 387 CA LYS A 29 4.072 1.828 -7.753 1.00 0.00 C ATOM 388 C LYS A 29 5.374 1.179 -7.277 1.00 0.00 C ATOM 389 O LYS A 29 5.449 -0.041 -7.139 1.00 0.00 O ATOM 390 CB LYS A 29 4.207 2.573 -9.083 1.00 0.00 C ATOM 391 CG LYS A 29 3.119 2.138 -10.068 1.00 0.00 C ATOM 392 CD LYS A 29 3.613 2.243 -11.512 1.00 0.00 C ATOM 393 CE LYS A 29 2.749 3.214 -12.318 1.00 0.00 C ATOM 394 NZ LYS A 29 3.589 4.022 -13.230 1.00 0.00 N ATOM 0 H LYS A 29 3.428 3.682 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 29 3.362 1.022 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.138 3.647 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.190 2.381 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.821 1.111 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.234 2.761 -9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.650 2.579 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.593 1.259 -11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.008 2.659 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.201 3.870 -11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.986 4.676 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.280 4.566 -12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.092 3.393 -13.888 1.00 0.00 H new ATOM 408 N GLU A 30 6.366 2.024 -7.039 1.00 0.00 N ATOM 409 CA GLU A 30 7.660 1.549 -6.581 1.00 0.00 C ATOM 410 C GLU A 30 7.500 0.718 -5.306 1.00 0.00 C ATOM 411 O GLU A 30 8.143 -0.320 -5.153 1.00 0.00 O ATOM 412 CB GLU A 30 8.625 2.715 -6.357 1.00 0.00 C ATOM 413 CG GLU A 30 9.040 3.347 -7.687 1.00 0.00 C ATOM 414 CD GLU A 30 10.562 3.357 -7.838 1.00 0.00 C ATOM 415 OE1 GLU A 30 11.216 3.947 -6.951 1.00 0.00 O ATOM 416 OE2 GLU A 30 11.038 2.775 -8.837 1.00 0.00 O ATOM 0 H GLU A 30 6.300 3.035 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 30 8.086 0.912 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.152 3.467 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.509 2.363 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.593 2.793 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.659 4.367 -7.744 1.00 0.00 H new ATOM 423 N ARG A 31 6.638 1.205 -4.425 1.00 0.00 N ATOM 424 CA ARG A 31 6.386 0.519 -3.169 1.00 0.00 C ATOM 425 C ARG A 31 5.942 -0.921 -3.430 1.00 0.00 C ATOM 426 O ARG A 31 6.577 -1.865 -2.961 1.00 0.00 O ATOM 427 CB ARG A 31 5.306 1.239 -2.357 1.00 0.00 C ATOM 428 CG ARG A 31 5.795 2.611 -1.890 1.00 0.00 C ATOM 429 CD ARG A 31 6.345 2.542 -0.464 1.00 0.00 C ATOM 430 NE ARG A 31 7.785 2.201 -0.492 1.00 0.00 N ATOM 431 CZ ARG A 31 8.764 3.093 -0.694 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.464 4.385 -0.887 1.00 0.00 N ATOM 433 NH2 ARG A 31 10.043 2.693 -0.703 1.00 0.00 N ATOM 0 H ARG A 31 6.106 2.065 -4.556 1.00 0.00 H new ATOM 0 HA ARG A 31 7.315 0.518 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.408 1.356 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.031 0.634 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.570 2.974 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.974 3.327 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.199 3.499 0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.797 1.795 0.110 1.00 0.00 H new ATOM 0 HE ARG A 31 8.048 1.226 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.490 4.689 -0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.209 5.064 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.271 1.710 -0.556 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.789 3.372 -0.857 1.00 0.00 H new ATOM 447 N MET A 32 4.856 -1.046 -4.178 1.00 0.00 N ATOM 448 CA MET A 32 4.320 -2.356 -4.507 1.00 0.00 C ATOM 449 C MET A 32 5.334 -3.178 -5.305 1.00 0.00 C ATOM 450 O MET A 32 5.562 -4.349 -5.005 1.00 0.00 O ATOM 451 CB MET A 32 3.038 -2.192 -5.325 1.00 0.00 C ATOM 452 CG MET A 32 1.938 -1.528 -4.495 1.00 0.00 C ATOM 453 SD MET A 32 0.348 -1.794 -5.261 1.00 0.00 S ATOM 454 CE MET A 32 -0.032 -0.127 -5.775 1.00 0.00 C ATOM 0 H MET A 32 4.332 -0.261 -4.566 1.00 0.00 H new ATOM 0 HA MET A 32 4.103 -2.884 -3.578 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.242 -1.591 -6.211 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.697 -3.167 -5.673 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.937 -1.937 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.133 -0.459 -4.406 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.015 0.155 -5.398 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.718 0.556 -5.378 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.032 -0.073 -6.864 1.00 0.00 H new ATOM 464 N LEU A 33 5.915 -2.533 -6.305 1.00 0.00 N ATOM 465 CA LEU A 33 6.899 -3.190 -7.149 1.00 0.00 C ATOM 466 C LEU A 33 8.053 -3.694 -6.280 1.00 0.00 C ATOM 467 O LEU A 33 8.527 -4.815 -6.461 1.00 0.00 O ATOM 468 CB LEU A 33 7.342 -2.259 -8.280 1.00 0.00 C ATOM 469 CG LEU A 33 6.764 -2.563 -9.663 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.098 -1.324 -10.264 1.00 0.00 C ATOM 471 CD2 LEU A 33 7.834 -3.144 -10.589 1.00 0.00 C ATOM 0 H LEU A 33 5.723 -1.562 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 33 6.462 -4.061 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.071 -1.238 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.429 -2.293 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 33 5.990 -3.322 -9.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.696 -1.568 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.289 -0.994 -9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.834 -0.526 -10.361 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.397 -3.351 -11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.647 -2.427 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.222 -4.069 -10.162 1.00 0.00 H new ATOM 483 N ALA A 34 8.472 -2.843 -5.356 1.00 0.00 N ATOM 484 CA ALA A 34 9.562 -3.188 -4.459 1.00 0.00 C ATOM 485 C ALA A 34 9.114 -4.320 -3.531 1.00 0.00 C ATOM 486 O ALA A 34 9.940 -5.081 -3.031 1.00 0.00 O ATOM 487 CB ALA A 34 10.003 -1.942 -3.688 1.00 0.00 C ATOM 0 H ALA A 34 8.076 -1.915 -5.209 1.00 0.00 H new ATOM 0 HA ALA A 34 10.424 -3.545 -5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.821 -2.201 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.339 -1.179 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.164 -1.557 -3.108 1.00 0.00 H new ATOM 493 N LEU A 35 7.806 -4.394 -3.330 1.00 0.00 N ATOM 494 CA LEU A 35 7.238 -5.420 -2.472 1.00 0.00 C ATOM 495 C LEU A 35 7.087 -6.718 -3.267 1.00 0.00 C ATOM 496 O LEU A 35 7.560 -7.771 -2.840 1.00 0.00 O ATOM 497 CB LEU A 35 5.933 -4.929 -1.842 1.00 0.00 C ATOM 498 CG LEU A 35 5.083 -5.994 -1.146 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.433 -6.091 0.340 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.591 -5.735 -1.367 1.00 0.00 C ATOM 0 H LEU A 35 7.124 -3.760 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 35 7.907 -5.633 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.173 -4.152 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.330 -4.462 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 35 5.313 -6.961 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.814 -6.855 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.484 -6.357 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.250 -5.130 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.009 -6.506 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.327 -4.758 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.372 -5.756 -2.435 1.00 0.00 H new ATOM 512 N ALA A 36 6.427 -6.601 -4.409 1.00 0.00 N ATOM 513 CA ALA A 36 6.207 -7.753 -5.268 1.00 0.00 C ATOM 514 C ALA A 36 7.558 -8.348 -5.670 1.00 0.00 C ATOM 515 O ALA A 36 7.624 -9.478 -6.151 1.00 0.00 O ATOM 516 CB ALA A 36 5.371 -7.335 -6.479 1.00 0.00 C ATOM 0 H ALA A 36 6.037 -5.726 -4.760 1.00 0.00 H new ATOM 0 HA ALA A 36 5.650 -8.526 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.206 -8.199 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.411 -6.946 -6.141 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.900 -6.562 -7.037 1.00 0.00 H new ATOM 522 N GLU A 37 8.603 -7.561 -5.458 1.00 0.00 N ATOM 523 CA GLU A 37 9.948 -7.996 -5.793 1.00 0.00 C ATOM 524 C GLU A 37 10.607 -8.661 -4.582 1.00 0.00 C ATOM 525 O GLU A 37 11.690 -9.233 -4.697 1.00 0.00 O ATOM 526 CB GLU A 37 10.792 -6.827 -6.303 1.00 0.00 C ATOM 527 CG GLU A 37 10.562 -6.596 -7.798 1.00 0.00 C ATOM 528 CD GLU A 37 11.808 -6.003 -8.460 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.738 -6.793 -8.728 1.00 0.00 O ATOM 530 OE2 GLU A 37 11.801 -4.773 -8.682 1.00 0.00 O ATOM 0 H GLU A 37 8.545 -6.624 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 37 9.882 -8.730 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.540 -5.923 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.847 -7.029 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.304 -7.539 -8.280 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.716 -5.924 -7.940 1.00 0.00 H new ATOM 537 N ARG A 38 9.926 -8.562 -3.450 1.00 0.00 N ATOM 538 CA ARG A 38 10.432 -9.147 -2.220 1.00 0.00 C ATOM 539 C ARG A 38 9.632 -10.400 -1.859 1.00 0.00 C ATOM 540 O ARG A 38 10.077 -11.213 -1.050 1.00 0.00 O ATOM 541 CB ARG A 38 10.353 -8.149 -1.063 1.00 0.00 C ATOM 542 CG ARG A 38 8.960 -8.153 -0.429 1.00 0.00 C ATOM 543 CD ARG A 38 8.998 -8.761 0.974 1.00 0.00 C ATOM 544 NE ARG A 38 9.163 -7.692 1.985 1.00 0.00 N ATOM 545 CZ ARG A 38 9.658 -7.891 3.214 1.00 0.00 C ATOM 546 NH1 ARG A 38 10.041 -9.118 3.592 1.00 0.00 N ATOM 547 NH2 ARG A 38 9.771 -6.862 4.065 1.00 0.00 N ATOM 0 H ARG A 38 9.029 -8.086 -3.359 1.00 0.00 H new ATOM 0 HA ARG A 38 11.476 -9.414 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.100 -8.400 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.589 -7.148 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.577 -7.134 -0.377 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.273 -8.720 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.078 -9.314 1.165 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.820 -9.473 1.048 1.00 0.00 H new ATOM 0 HE ARG A 38 8.882 -6.745 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.956 -9.901 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 38 10.418 -9.269 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.480 -5.928 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.148 -7.013 5.001 1.00 0.00 H new ATOM 561 N ILE A 39 8.466 -10.516 -2.476 1.00 0.00 N ATOM 562 CA ILE A 39 7.599 -11.656 -2.230 1.00 0.00 C ATOM 563 C ILE A 39 7.565 -12.544 -3.476 1.00 0.00 C ATOM 564 O ILE A 39 7.425 -13.761 -3.371 1.00 0.00 O ATOM 565 CB ILE A 39 6.217 -11.189 -1.770 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.543 -10.331 -2.842 1.00 0.00 C ATOM 567 CG2 ILE A 39 6.303 -10.464 -0.425 1.00 0.00 C ATOM 568 CD1 ILE A 39 4.093 -10.020 -2.464 1.00 0.00 C ATOM 0 H ILE A 39 8.101 -9.839 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 39 7.992 -12.264 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 39 5.591 -12.069 -1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.097 -9.401 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.569 -10.852 -3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.307 -10.142 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.712 -11.139 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.952 -9.593 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.637 -9.409 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.536 -10.951 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.072 -9.478 -1.519 1.00 0.00 H new ATOM 580 N GLY A 40 7.696 -11.899 -4.626 1.00 0.00 N ATOM 581 CA GLY A 40 7.682 -12.615 -5.891 1.00 0.00 C ATOM 582 C GLY A 40 6.355 -12.406 -6.624 1.00 0.00 C ATOM 583 O GLY A 40 5.937 -13.254 -7.410 1.00 0.00 O ATOM 0 H GLY A 40 7.812 -10.889 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.505 -12.271 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.840 -13.679 -5.713 1.00 0.00 H new ATOM 587 N TRP A 41 5.731 -11.272 -6.341 1.00 0.00 N ATOM 588 CA TRP A 41 4.461 -10.941 -6.964 1.00 0.00 C ATOM 589 C TRP A 41 3.441 -12.004 -6.550 1.00 0.00 C ATOM 590 O TRP A 41 2.631 -12.443 -7.366 1.00 0.00 O ATOM 591 CB TRP A 41 4.611 -10.814 -8.481 1.00 0.00 C ATOM 592 CG TRP A 41 5.756 -9.899 -8.919 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.063 -10.029 -8.656 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.642 -8.699 -9.713 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.797 -9.006 -9.220 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.905 -8.171 -9.883 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.508 -8.080 -10.269 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.155 -7.000 -10.609 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.775 -6.911 -10.991 1.00 0.00 C ATOM 600 CH2 TRP A 41 6.041 -6.367 -11.171 1.00 0.00 C ATOM 0 H TRP A 41 6.081 -10.571 -5.688 1.00 0.00 H new ATOM 0 HA TRP A 41 4.107 -9.968 -6.625 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.770 -11.806 -8.904 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.678 -10.436 -8.898 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.489 -10.834 -8.075 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.808 -8.885 -9.161 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.510 -8.475 -10.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.154 -6.607 -10.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.939 -6.396 -11.440 1.00 0.00 H new ATOM 0 HH2 TRP A 41 6.165 -5.459 -11.743 1.00 0.00 H new ATOM 611 N ARG A 42 3.513 -12.388 -5.284 1.00 0.00 N ATOM 612 CA ARG A 42 2.606 -13.391 -4.753 1.00 0.00 C ATOM 613 C ARG A 42 2.213 -13.043 -3.316 1.00 0.00 C ATOM 614 O ARG A 42 2.969 -12.384 -2.604 1.00 0.00 O ATOM 615 CB ARG A 42 3.246 -14.780 -4.778 1.00 0.00 C ATOM 616 CG ARG A 42 2.221 -15.849 -5.163 1.00 0.00 C ATOM 617 CD ARG A 42 2.904 -17.191 -5.435 1.00 0.00 C ATOM 618 NE ARG A 42 3.305 -17.822 -4.158 1.00 0.00 N ATOM 619 CZ ARG A 42 4.258 -18.758 -4.049 1.00 0.00 C ATOM 620 NH1 ARG A 42 4.913 -19.177 -5.140 1.00 0.00 N ATOM 621 NH2 ARG A 42 4.556 -19.275 -2.849 1.00 0.00 N ATOM 0 H ARG A 42 4.186 -12.022 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 42 1.717 -13.402 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.072 -14.791 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.665 -15.009 -3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.492 -15.964 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.673 -15.530 -6.049 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.227 -17.850 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.779 -17.042 -6.067 1.00 0.00 H new ATOM 0 HE ARG A 42 2.826 -17.526 -3.307 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.686 -18.784 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.638 -19.889 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.057 -18.956 -2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.281 -19.987 -2.766 1.00 0.00 H new ATOM 635 N ILE A 43 1.031 -13.502 -2.932 1.00 0.00 N ATOM 636 CA ILE A 43 0.529 -13.248 -1.592 1.00 0.00 C ATOM 637 C ILE A 43 0.278 -14.581 -0.885 1.00 0.00 C ATOM 638 O ILE A 43 -0.209 -15.531 -1.496 1.00 0.00 O ATOM 639 CB ILE A 43 -0.701 -12.339 -1.645 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.329 -10.941 -2.141 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.410 -12.297 -0.289 1.00 0.00 C ATOM 642 CD1 ILE A 43 -0.508 -10.831 -3.657 1.00 0.00 C ATOM 0 H ILE A 43 0.406 -14.048 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 43 1.271 -12.709 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.405 -12.758 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.951 -10.197 -1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.705 -10.721 -1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.281 -11.644 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.730 -13.302 -0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.725 -11.915 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.237 -9.827 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.133 -11.560 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.548 -11.028 -3.916 1.00 0.00 H new ATOM 654 N GLN A 44 0.623 -14.610 0.394 1.00 0.00 N ATOM 655 CA GLN A 44 0.442 -15.811 1.192 1.00 0.00 C ATOM 656 C GLN A 44 0.076 -15.443 2.631 1.00 0.00 C ATOM 657 O GLN A 44 -0.108 -14.268 2.947 1.00 0.00 O ATOM 658 CB GLN A 44 1.694 -16.689 1.152 1.00 0.00 C ATOM 659 CG GLN A 44 1.945 -17.224 -0.259 1.00 0.00 C ATOM 660 CD GLN A 44 2.605 -18.604 -0.213 1.00 0.00 C ATOM 661 OE1 GLN A 44 3.711 -18.776 0.273 1.00 0.00 O ATOM 662 NE2 GLN A 44 1.867 -19.574 -0.745 1.00 0.00 N ATOM 0 H GLN A 44 1.027 -13.821 0.898 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.380 -16.387 0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.557 -16.113 1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.580 -17.522 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.002 -17.286 -0.801 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.583 -16.530 -0.807 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.949 -19.361 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.219 -20.531 -0.763 1.00 0.00 H new ATOM 671 N ARG A 45 -0.020 -16.468 3.464 1.00 0.00 N ATOM 672 CA ARG A 45 -0.361 -16.267 4.862 1.00 0.00 C ATOM 673 C ARG A 45 0.883 -15.870 5.660 1.00 0.00 C ATOM 674 O ARG A 45 0.813 -15.686 6.875 1.00 0.00 O ATOM 675 CB ARG A 45 -0.966 -17.534 5.470 1.00 0.00 C ATOM 676 CG ARG A 45 -1.442 -17.282 6.901 1.00 0.00 C ATOM 677 CD ARG A 45 -0.496 -17.928 7.916 1.00 0.00 C ATOM 678 NE ARG A 45 -1.059 -19.213 8.387 1.00 0.00 N ATOM 679 CZ ARG A 45 -0.571 -19.913 9.420 1.00 0.00 C ATOM 680 NH1 ARG A 45 0.492 -19.457 10.096 1.00 0.00 N ATOM 681 NH2 ARG A 45 -1.146 -21.069 9.777 1.00 0.00 N ATOM 0 H ARG A 45 0.132 -17.441 3.198 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.099 -15.467 4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.803 -17.871 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.225 -18.334 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.501 -16.209 7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.447 -17.683 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.480 -18.095 7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.343 -17.257 8.761 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.869 -19.589 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.930 -18.577 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.863 -19.990 10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.955 -21.416 9.262 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.774 -21.602 10.563 1.00 0.00 H new ATOM 695 N GLN A 46 1.992 -15.751 4.946 1.00 0.00 N ATOM 696 CA GLN A 46 3.250 -15.380 5.572 1.00 0.00 C ATOM 697 C GLN A 46 3.529 -13.890 5.361 1.00 0.00 C ATOM 698 O GLN A 46 4.006 -13.210 6.267 1.00 0.00 O ATOM 699 CB GLN A 46 4.401 -16.235 5.040 1.00 0.00 C ATOM 700 CG GLN A 46 4.075 -17.725 5.153 1.00 0.00 C ATOM 701 CD GLN A 46 5.259 -18.503 5.730 1.00 0.00 C ATOM 702 OE1 GLN A 46 5.542 -18.465 6.916 1.00 0.00 O ATOM 703 NE2 GLN A 46 5.934 -19.209 4.827 1.00 0.00 N ATOM 0 H GLN A 46 2.046 -15.905 3.939 1.00 0.00 H new ATOM 0 HA GLN A 46 3.169 -15.566 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.597 -15.980 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.311 -16.015 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.200 -17.862 5.789 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.820 -18.121 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.644 -19.197 3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.742 -19.762 5.112 1.00 0.00 H new ATOM 712 N ASP A 47 3.219 -13.428 4.158 1.00 0.00 N ATOM 713 CA ASP A 47 3.431 -12.032 3.816 1.00 0.00 C ATOM 714 C ASP A 47 2.243 -11.204 4.309 1.00 0.00 C ATOM 715 O ASP A 47 2.300 -9.976 4.323 1.00 0.00 O ATOM 716 CB ASP A 47 3.540 -11.847 2.301 1.00 0.00 C ATOM 717 CG ASP A 47 4.591 -12.724 1.616 1.00 0.00 C ATOM 718 OD1 ASP A 47 5.588 -13.049 2.295 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.372 -13.049 0.429 1.00 0.00 O ATOM 0 H ASP A 47 2.823 -13.996 3.409 1.00 0.00 H new ATOM 0 HA ASP A 47 4.358 -11.707 4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.568 -12.055 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.769 -10.802 2.093 1.00 0.00 H new ATOM 724 N ASP A 48 1.192 -11.911 4.700 1.00 0.00 N ATOM 725 CA ASP A 48 -0.008 -11.257 5.193 1.00 0.00 C ATOM 726 C ASP A 48 0.387 -10.090 6.100 1.00 0.00 C ATOM 727 O ASP A 48 -0.186 -9.006 6.009 1.00 0.00 O ATOM 728 CB ASP A 48 -0.865 -12.224 6.012 1.00 0.00 C ATOM 729 CG ASP A 48 -2.180 -12.642 5.351 1.00 0.00 C ATOM 730 OD1 ASP A 48 -2.099 -13.293 4.288 1.00 0.00 O ATOM 731 OD2 ASP A 48 -3.237 -12.300 5.924 1.00 0.00 O ATOM 0 H ASP A 48 1.147 -12.930 4.685 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.579 -10.909 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.279 -13.120 6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.090 -11.762 6.973 1.00 0.00 H new ATOM 736 N GLU A 49 1.365 -10.352 6.955 1.00 0.00 N ATOM 737 CA GLU A 49 1.844 -9.338 7.878 1.00 0.00 C ATOM 738 C GLU A 49 2.410 -8.143 7.107 1.00 0.00 C ATOM 739 O GLU A 49 2.129 -6.994 7.443 1.00 0.00 O ATOM 740 CB GLU A 49 2.888 -9.916 8.836 1.00 0.00 C ATOM 741 CG GLU A 49 2.271 -10.214 10.204 1.00 0.00 C ATOM 742 CD GLU A 49 3.137 -9.647 11.331 1.00 0.00 C ATOM 743 OE1 GLU A 49 3.704 -8.554 11.116 1.00 0.00 O ATOM 744 OE2 GLU A 49 3.213 -10.320 12.382 1.00 0.00 O ATOM 0 H GLU A 49 1.839 -11.252 7.028 1.00 0.00 H new ATOM 0 HA GLU A 49 1.001 -8.994 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.307 -10.830 8.415 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.712 -9.211 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.271 -9.784 10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.162 -11.291 10.331 1.00 0.00 H new ATOM 751 N VAL A 50 3.197 -8.456 6.088 1.00 0.00 N ATOM 752 CA VAL A 50 3.805 -7.423 5.267 1.00 0.00 C ATOM 753 C VAL A 50 2.725 -6.756 4.412 1.00 0.00 C ATOM 754 O VAL A 50 2.781 -5.553 4.162 1.00 0.00 O ATOM 755 CB VAL A 50 4.943 -8.018 4.435 1.00 0.00 C ATOM 756 CG1 VAL A 50 5.840 -6.916 3.867 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.757 -9.019 5.257 1.00 0.00 C ATOM 0 H VAL A 50 3.428 -9.411 5.812 1.00 0.00 H new ATOM 0 HA VAL A 50 4.248 -6.649 5.893 1.00 0.00 H new ATOM 0 HB VAL A 50 4.500 -8.555 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.641 -7.365 3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.249 -6.258 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.270 -6.339 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.559 -9.427 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.184 -8.515 6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.108 -9.829 5.591 1.00 0.00 H new ATOM 767 N ILE A 51 1.767 -7.567 3.988 1.00 0.00 N ATOM 768 CA ILE A 51 0.676 -7.071 3.167 1.00 0.00 C ATOM 769 C ILE A 51 -0.171 -6.095 3.987 1.00 0.00 C ATOM 770 O ILE A 51 -0.350 -4.943 3.596 1.00 0.00 O ATOM 771 CB ILE A 51 -0.124 -8.235 2.578 1.00 0.00 C ATOM 772 CG1 ILE A 51 0.790 -9.201 1.822 1.00 0.00 C ATOM 773 CG2 ILE A 51 -1.270 -7.725 1.701 1.00 0.00 C ATOM 774 CD1 ILE A 51 0.917 -8.798 0.351 1.00 0.00 C ATOM 0 H ILE A 51 1.724 -8.564 4.198 1.00 0.00 H new ATOM 0 HA ILE A 51 1.064 -6.517 2.312 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.572 -8.792 3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.776 -9.213 2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.393 -10.214 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.822 -8.572 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.940 -7.109 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.865 -7.130 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.572 -9.501 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.068 -8.811 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.337 -7.795 0.284 1.00 0.00 H new ATOM 786 N GLN A 52 -0.670 -6.593 5.109 1.00 0.00 N ATOM 787 CA GLN A 52 -1.494 -5.780 5.987 1.00 0.00 C ATOM 788 C GLN A 52 -0.688 -4.596 6.525 1.00 0.00 C ATOM 789 O GLN A 52 -1.251 -3.548 6.839 1.00 0.00 O ATOM 790 CB GLN A 52 -2.068 -6.618 7.131 1.00 0.00 C ATOM 791 CG GLN A 52 -3.068 -7.650 6.607 1.00 0.00 C ATOM 792 CD GLN A 52 -3.757 -8.381 7.760 1.00 0.00 C ATOM 793 OE1 GLN A 52 -3.293 -9.397 8.252 1.00 0.00 O ATOM 794 NE2 GLN A 52 -4.889 -7.810 8.164 1.00 0.00 N ATOM 0 H GLN A 52 -0.519 -7.549 5.430 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.333 -5.391 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.259 -7.125 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.558 -5.966 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.816 -7.155 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.553 -8.370 5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.222 -6.960 7.709 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.424 -8.222 8.928 1.00 0.00 H new ATOM 803 N ARG A 53 0.618 -4.803 6.615 1.00 0.00 N ATOM 804 CA ARG A 53 1.507 -3.765 7.110 1.00 0.00 C ATOM 805 C ARG A 53 1.790 -2.740 6.011 1.00 0.00 C ATOM 806 O ARG A 53 1.758 -1.535 6.257 1.00 0.00 O ATOM 807 CB ARG A 53 2.831 -4.360 7.596 1.00 0.00 C ATOM 808 CG ARG A 53 3.871 -3.263 7.831 1.00 0.00 C ATOM 809 CD ARG A 53 3.440 -2.333 8.967 1.00 0.00 C ATOM 810 NE ARG A 53 3.996 -2.812 10.252 1.00 0.00 N ATOM 811 CZ ARG A 53 3.482 -2.511 11.452 1.00 0.00 C ATOM 812 NH1 ARG A 53 2.397 -1.729 11.539 1.00 0.00 N ATOM 813 NH2 ARG A 53 4.053 -2.991 12.565 1.00 0.00 N ATOM 0 H ARG A 53 1.082 -5.673 6.354 1.00 0.00 H new ATOM 0 HA ARG A 53 1.011 -3.276 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.667 -4.915 8.520 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.207 -5.071 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.833 -3.715 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.009 -2.686 6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.785 -1.318 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.352 -2.295 9.024 1.00 0.00 H new ATOM 0 HE ARG A 53 4.823 -3.409 10.222 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.963 -1.363 10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.006 -1.500 12.453 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.879 -3.586 12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.662 -2.762 13.479 1.00 0.00 H new ATOM 827 N PHE A 54 2.060 -3.255 4.820 1.00 0.00 N ATOM 828 CA PHE A 54 2.348 -2.398 3.682 1.00 0.00 C ATOM 829 C PHE A 54 1.225 -1.383 3.462 1.00 0.00 C ATOM 830 O PHE A 54 1.484 -0.232 3.114 1.00 0.00 O ATOM 831 CB PHE A 54 2.447 -3.305 2.454 1.00 0.00 C ATOM 832 CG PHE A 54 2.536 -2.548 1.127 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.399 -2.191 0.471 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.751 -2.233 0.604 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.481 -1.489 -0.760 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.833 -1.531 -0.627 1.00 0.00 C ATOM 837 CZ PHE A 54 2.696 -1.173 -1.284 1.00 0.00 C ATOM 0 H PHE A 54 2.085 -4.255 4.619 1.00 0.00 H new ATOM 0 HA PHE A 54 3.271 -1.846 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.325 -3.943 2.556 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.577 -3.961 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.434 -2.442 0.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.653 -2.517 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.578 -1.206 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.798 -1.281 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.758 -0.639 -2.220 1.00 0.00 H new ATOM 847 N CYS A 55 0.002 -1.845 3.675 1.00 0.00 N ATOM 848 CA CYS A 55 -1.161 -0.991 3.504 1.00 0.00 C ATOM 849 C CYS A 55 -1.098 0.122 4.552 1.00 0.00 C ATOM 850 O CYS A 55 -1.817 1.114 4.453 1.00 0.00 O ATOM 851 CB CYS A 55 -2.465 -1.787 3.594 1.00 0.00 C ATOM 852 SG CYS A 55 -3.891 -0.690 3.260 1.00 0.00 S ATOM 0 H CYS A 55 -0.209 -2.800 3.965 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.149 -0.551 2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.450 -2.607 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.562 -2.232 4.584 1.00 0.00 H new ATOM 0 HG CYS A 55 -4.254 -0.816 2.018 1.00 0.00 H new ATOM 858 N GLN A 56 -0.231 -0.082 5.533 1.00 0.00 N ATOM 859 CA GLN A 56 -0.064 0.892 6.599 1.00 0.00 C ATOM 860 C GLN A 56 0.999 1.923 6.215 1.00 0.00 C ATOM 861 O GLN A 56 0.987 3.048 6.712 1.00 0.00 O ATOM 862 CB GLN A 56 0.290 0.205 7.919 1.00 0.00 C ATOM 863 CG GLN A 56 1.765 0.413 8.267 1.00 0.00 C ATOM 864 CD GLN A 56 2.006 1.823 8.812 1.00 0.00 C ATOM 865 OE1 GLN A 56 1.087 2.559 9.130 1.00 0.00 O ATOM 866 NE2 GLN A 56 3.291 2.155 8.900 1.00 0.00 N ATOM 0 H GLN A 56 0.363 -0.907 5.612 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.011 1.412 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.335 0.602 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.077 -0.861 7.847 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.075 -0.325 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.378 0.252 7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.010 1.490 8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.557 3.075 9.251 1.00 0.00 H new ATOM 875 N GLU A 57 1.894 1.502 5.333 1.00 0.00 N ATOM 876 CA GLU A 57 2.963 2.374 4.876 1.00 0.00 C ATOM 877 C GLU A 57 2.566 3.059 3.567 1.00 0.00 C ATOM 878 O GLU A 57 3.050 4.148 3.260 1.00 0.00 O ATOM 879 CB GLU A 57 4.272 1.599 4.714 1.00 0.00 C ATOM 880 CG GLU A 57 4.308 0.857 3.377 1.00 0.00 C ATOM 881 CD GLU A 57 5.719 0.353 3.067 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.570 0.453 3.978 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.915 -0.121 1.927 1.00 0.00 O ATOM 0 H GLU A 57 1.901 0.568 4.923 1.00 0.00 H new ATOM 0 HA GLU A 57 3.126 3.143 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.116 2.286 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.381 0.887 5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.616 0.016 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.972 1.520 2.580 1.00 0.00 H new ATOM 890 N THR A 58 1.688 2.394 2.831 1.00 0.00 N ATOM 891 CA THR A 58 1.220 2.925 1.562 1.00 0.00 C ATOM 892 C THR A 58 -0.247 3.346 1.668 1.00 0.00 C ATOM 893 O THR A 58 -0.564 4.532 1.583 1.00 0.00 O ATOM 894 CB THR A 58 1.473 1.868 0.485 1.00 0.00 C ATOM 895 OG1 THR A 58 0.845 0.696 0.995 1.00 0.00 O ATOM 896 CG2 THR A 58 2.950 1.483 0.377 1.00 0.00 C ATOM 0 H THR A 58 1.288 1.492 3.089 1.00 0.00 H new ATOM 0 HA THR A 58 1.765 3.828 1.286 1.00 0.00 H new ATOM 0 HB THR A 58 1.124 2.241 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.411 -0.083 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.074 0.730 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.539 2.365 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.291 1.079 1.330 1.00 0.00 H new ATOM 904 N GLY A 59 -1.103 2.351 1.852 1.00 0.00 N ATOM 905 CA GLY A 59 -2.529 2.604 1.971 1.00 0.00 C ATOM 906 C GLY A 59 -3.312 1.834 0.905 1.00 0.00 C ATOM 907 O GLY A 59 -4.536 1.936 0.834 1.00 0.00 O ATOM 0 H GLY A 59 -0.836 1.369 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.873 2.311 2.963 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.723 3.672 1.869 1.00 0.00 H new ATOM 911 N VAL A 60 -2.574 1.080 0.103 1.00 0.00 N ATOM 912 CA VAL A 60 -3.185 0.293 -0.955 1.00 0.00 C ATOM 913 C VAL A 60 -3.897 -0.914 -0.341 1.00 0.00 C ATOM 914 O VAL A 60 -3.415 -1.497 0.629 1.00 0.00 O ATOM 915 CB VAL A 60 -2.129 -0.099 -1.990 1.00 0.00 C ATOM 916 CG1 VAL A 60 -2.699 -1.092 -3.006 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.562 1.137 -2.691 1.00 0.00 C ATOM 0 H VAL A 60 -1.559 0.997 0.165 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.937 0.880 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.311 -0.590 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.928 -1.354 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.032 -1.992 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.544 -0.638 -3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.814 0.830 -3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.367 1.669 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.101 1.794 -1.954 1.00 0.00 H new ATOM 927 N PRO A 61 -5.064 -1.261 -0.947 1.00 0.00 N ATOM 928 CA PRO A 61 -5.848 -2.388 -0.471 1.00 0.00 C ATOM 929 C PRO A 61 -5.203 -3.715 -0.874 1.00 0.00 C ATOM 930 O PRO A 61 -4.702 -3.852 -1.989 1.00 0.00 O ATOM 931 CB PRO A 61 -7.229 -2.191 -1.075 1.00 0.00 C ATOM 932 CG PRO A 61 -7.042 -1.225 -2.234 1.00 0.00 C ATOM 933 CD PRO A 61 -5.666 -0.594 -2.098 1.00 0.00 C ATOM 0 HA PRO A 61 -5.906 -2.429 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.644 -3.138 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.924 -1.788 -0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.129 -1.749 -3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.817 -0.458 -2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.071 -0.744 -2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.738 0.482 -1.939 1.00 0.00 H new ATOM 941 N ARG A 62 -5.236 -4.659 0.055 1.00 0.00 N ATOM 942 CA ARG A 62 -4.660 -5.971 -0.190 1.00 0.00 C ATOM 943 C ARG A 62 -5.216 -6.560 -1.488 1.00 0.00 C ATOM 944 O ARG A 62 -4.463 -7.079 -2.311 1.00 0.00 O ATOM 945 CB ARG A 62 -4.958 -6.928 0.966 1.00 0.00 C ATOM 946 CG ARG A 62 -4.528 -8.355 0.621 1.00 0.00 C ATOM 947 CD ARG A 62 -4.366 -9.200 1.886 1.00 0.00 C ATOM 948 NE ARG A 62 -5.099 -10.477 1.739 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.428 -10.599 1.858 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.178 -9.521 2.128 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.007 -11.798 1.709 1.00 0.00 N ATOM 0 H ARG A 62 -5.653 -4.542 0.979 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.580 -5.849 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.436 -6.594 1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.024 -6.910 1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.269 -8.813 -0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.587 -8.332 0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.310 -9.397 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.743 -8.652 2.750 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.558 -11.317 1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.737 -8.609 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.190 -9.613 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.436 -12.618 1.505 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.019 -11.891 1.800 1.00 0.00 H new ATOM 965 N GLN A 63 -6.530 -6.461 -1.630 1.00 0.00 N ATOM 966 CA GLN A 63 -7.196 -6.978 -2.814 1.00 0.00 C ATOM 967 C GLN A 63 -6.592 -6.359 -4.076 1.00 0.00 C ATOM 968 O GLN A 63 -6.640 -6.957 -5.150 1.00 0.00 O ATOM 969 CB GLN A 63 -8.704 -6.728 -2.748 1.00 0.00 C ATOM 970 CG GLN A 63 -9.444 -7.564 -3.794 1.00 0.00 C ATOM 971 CD GLN A 63 -10.760 -6.896 -4.198 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.841 -7.312 -3.814 1.00 0.00 O ATOM 973 NE2 GLN A 63 -10.609 -5.840 -4.993 1.00 0.00 N ATOM 0 H GLN A 63 -7.151 -6.031 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.041 -8.056 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.074 -6.974 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.908 -5.670 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.813 -7.694 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.644 -8.558 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -9.675 -5.545 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.427 -5.325 -5.318 1.00 0.00 H new ATOM 982 N VAL A 64 -6.037 -5.168 -3.905 1.00 0.00 N ATOM 983 CA VAL A 64 -5.424 -4.461 -5.016 1.00 0.00 C ATOM 984 C VAL A 64 -3.996 -4.972 -5.216 1.00 0.00 C ATOM 985 O VAL A 64 -3.605 -5.312 -6.331 1.00 0.00 O ATOM 986 CB VAL A 64 -5.490 -2.951 -4.777 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.260 -2.250 -5.355 1.00 0.00 C ATOM 988 CG2 VAL A 64 -6.779 -2.361 -5.352 1.00 0.00 C ATOM 0 H VAL A 64 -5.999 -4.675 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.971 -4.655 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.496 -2.782 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.332 -1.178 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.361 -2.640 -4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.209 -2.432 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.801 -1.287 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.817 -2.547 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.639 -2.829 -4.872 1.00 0.00 H new ATOM 998 N LEU A 65 -3.256 -5.011 -4.117 1.00 0.00 N ATOM 999 CA LEU A 65 -1.880 -5.475 -4.157 1.00 0.00 C ATOM 1000 C LEU A 65 -1.836 -6.874 -4.776 1.00 0.00 C ATOM 1001 O LEU A 65 -0.794 -7.307 -5.266 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.248 -5.398 -2.766 1.00 0.00 C ATOM 1003 CG LEU A 65 0.281 -5.424 -2.722 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.820 -6.781 -3.179 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.873 -4.270 -3.533 1.00 0.00 C ATOM 0 H LEU A 65 -3.584 -4.729 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.277 -4.826 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.590 -4.483 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.623 -6.231 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 65 0.595 -5.285 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.909 -6.772 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.438 -7.564 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.497 -6.975 -4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.961 -4.312 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.552 -4.353 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.528 -3.321 -3.121 1.00 0.00 H new ATOM 1017 N LYS A 66 -2.980 -7.541 -4.734 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.085 -8.881 -5.285 1.00 0.00 C ATOM 1019 C LYS A 66 -3.263 -8.792 -6.802 1.00 0.00 C ATOM 1020 O LYS A 66 -2.344 -9.105 -7.558 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.195 -9.665 -4.581 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.569 -10.918 -5.374 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.462 -11.845 -4.546 1.00 0.00 C ATOM 1024 CE LYS A 66 -4.646 -12.592 -3.489 1.00 0.00 C ATOM 1025 NZ LYS A 66 -5.260 -13.905 -3.192 1.00 0.00 N ATOM 0 H LYS A 66 -3.842 -7.178 -4.327 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.167 -9.440 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.867 -9.948 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.073 -9.031 -4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.086 -10.632 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.664 -11.448 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.246 -11.263 -4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.956 -12.561 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.625 -12.733 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.588 -11.997 -2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.693 -14.398 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.226 -13.763 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.292 -14.477 -4.060 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.451 -8.365 -7.203 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.761 -8.231 -8.616 1.00 0.00 C ATOM 1041 C VAL A 67 -3.675 -7.394 -9.295 1.00 0.00 C ATOM 1042 O VAL A 67 -3.190 -7.752 -10.367 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.164 -7.645 -8.791 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.231 -8.618 -8.287 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.283 -6.290 -8.090 1.00 0.00 C ATOM 0 H VAL A 67 -5.211 -8.107 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.769 -9.208 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.331 -7.487 -9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.219 -8.177 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.169 -9.550 -8.850 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.067 -8.822 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.289 -5.895 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.086 -6.413 -7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.559 -5.595 -8.515 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.325 -6.295 -8.642 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.305 -5.405 -9.169 1.00 0.00 C ATOM 1057 C TRP A 68 -1.224 -6.263 -9.829 1.00 0.00 C ATOM 1058 O TRP A 68 -0.899 -6.067 -10.999 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.756 -4.490 -8.073 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.653 -3.541 -8.548 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.785 -2.416 -9.264 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.763 -3.682 -8.310 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.439 -1.824 -9.504 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.410 -2.618 -8.905 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.475 -4.676 -7.614 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.798 -2.446 -8.866 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.862 -4.489 -7.584 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.528 -3.423 -8.178 1.00 0.00 C ATOM 0 H TRP A 68 -3.730 -6.001 -7.753 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.727 -4.738 -9.921 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.576 -3.901 -7.662 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.367 -5.105 -7.262 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.729 -2.022 -9.610 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.601 -0.962 -10.025 1.00 0.00 H new ATOM 0 HE3 TRP A 68 0.990 -5.517 -7.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.281 -1.605 -9.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.457 -5.225 -7.063 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.603 -3.349 -8.109 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.695 -7.195 -9.050 1.00 0.00 N ATOM 1080 CA LEU A 69 0.343 -8.083 -9.544 1.00 0.00 C ATOM 1081 C LEU A 69 -0.137 -8.754 -10.833 1.00 0.00 C ATOM 1082 O LEU A 69 0.532 -8.679 -11.862 1.00 0.00 O ATOM 1083 CB LEU A 69 0.764 -9.073 -8.456 1.00 0.00 C ATOM 1084 CG LEU A 69 1.136 -8.463 -7.102 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.686 -9.366 -5.952 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.632 -8.150 -7.034 1.00 0.00 C ATOM 0 H LEU A 69 -0.966 -7.354 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 69 1.241 -7.518 -9.793 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.050 -9.781 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.618 -9.644 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 69 0.605 -7.517 -6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.962 -8.910 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.396 -9.494 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.170 -10.338 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.869 -7.718 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.203 -9.068 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.891 -7.440 -7.820 1.00 0.00 H new