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 180:sc= -0.763 USER MOD Single : A 28 GLN : amide:sc= -6.97! C(o=-7!,f=-8.7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -126:sc= -2.11 (180deg=-3.39!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.039) USER MOD Single : A 52 GLN : amide:sc= -1.77 K(o=-1.8,f=-0.1) USER MOD Single : A 55 CYS SG : rot -92:sc= 0.359 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -92:sc= 0.845 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 288 N LYS A 23 -5.118 4.651 -8.572 1.00 0.00 N ATOM 289 CA LYS A 23 -4.171 5.612 -9.112 1.00 0.00 C ATOM 290 C LYS A 23 -2.824 5.447 -8.405 1.00 0.00 C ATOM 291 O LYS A 23 -2.421 6.304 -7.621 1.00 0.00 O ATOM 292 CB LYS A 23 -4.740 7.030 -9.027 1.00 0.00 C ATOM 293 CG LYS A 23 -4.963 7.616 -10.423 1.00 0.00 C ATOM 294 CD LYS A 23 -3.652 8.137 -11.014 1.00 0.00 C ATOM 295 CE LYS A 23 -3.805 8.437 -12.507 1.00 0.00 C ATOM 296 NZ LYS A 23 -3.218 9.756 -12.833 1.00 0.00 N ATOM 0 HA LYS A 23 -4.000 5.424 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.683 7.015 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.056 7.667 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.384 6.854 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.690 8.427 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.345 9.041 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.864 7.399 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.315 7.659 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.860 8.424 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.330 9.944 -13.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.704 10.497 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.207 9.755 -12.591 1.00 0.00 H new ATOM 310 N PHE A 24 -2.166 4.338 -8.708 1.00 0.00 N ATOM 311 CA PHE A 24 -0.872 4.049 -8.112 1.00 0.00 C ATOM 312 C PHE A 24 0.213 4.959 -8.688 1.00 0.00 C ATOM 313 O PHE A 24 0.506 4.903 -9.882 1.00 0.00 O ATOM 314 CB PHE A 24 -0.537 2.596 -8.453 1.00 0.00 C ATOM 315 CG PHE A 24 -1.735 1.647 -8.381 1.00 0.00 C ATOM 316 CD1 PHE A 24 -2.357 1.426 -7.192 1.00 0.00 C ATOM 317 CD2 PHE A 24 -2.178 1.024 -9.506 1.00 0.00 C ATOM 318 CE1 PHE A 24 -3.469 0.546 -7.125 1.00 0.00 C ATOM 319 CE2 PHE A 24 -3.290 0.144 -9.439 1.00 0.00 C ATOM 320 CZ PHE A 24 -3.912 -0.077 -8.250 1.00 0.00 C ATOM 0 H PHE A 24 -2.504 3.629 -9.358 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.913 4.215 -7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.116 2.557 -9.458 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.235 2.242 -7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.005 1.920 -6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.684 1.199 -10.450 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.963 0.371 -6.181 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.642 -0.350 -10.332 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.758 -0.747 -8.199 1.00 0.00 H new ATOM 330 N THR A 25 0.781 5.777 -7.814 1.00 0.00 N ATOM 331 CA THR A 25 1.828 6.699 -8.222 1.00 0.00 C ATOM 332 C THR A 25 3.199 6.029 -8.113 1.00 0.00 C ATOM 333 O THR A 25 3.319 4.938 -7.558 1.00 0.00 O ATOM 334 CB THR A 25 1.701 7.964 -7.372 1.00 0.00 C ATOM 335 OG1 THR A 25 2.985 8.576 -7.465 1.00 0.00 O ATOM 336 CG2 THR A 25 1.542 7.656 -5.881 1.00 0.00 C ATOM 0 H THR A 25 0.536 5.821 -6.825 1.00 0.00 H new ATOM 0 HA THR A 25 1.721 6.982 -9.269 1.00 0.00 H new ATOM 0 HB THR A 25 0.846 8.546 -7.715 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.991 9.405 -6.943 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.456 8.589 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.644 7.057 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.412 7.102 -5.529 1.00 0.00 H new ATOM 344 N ALA A 26 4.199 6.711 -8.653 1.00 0.00 N ATOM 345 CA ALA A 26 5.557 6.196 -8.624 1.00 0.00 C ATOM 346 C ALA A 26 5.818 5.532 -7.270 1.00 0.00 C ATOM 347 O ALA A 26 6.489 4.504 -7.198 1.00 0.00 O ATOM 348 CB ALA A 26 6.541 7.331 -8.915 1.00 0.00 C ATOM 0 H ALA A 26 4.095 7.616 -9.113 1.00 0.00 H new ATOM 0 HA ALA A 26 5.696 5.438 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.560 6.944 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.333 7.749 -9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.432 8.109 -8.160 1.00 0.00 H new ATOM 354 N GLU A 27 5.273 6.148 -6.231 1.00 0.00 N ATOM 355 CA GLU A 27 5.438 5.629 -4.884 1.00 0.00 C ATOM 356 C GLU A 27 4.762 4.263 -4.754 1.00 0.00 C ATOM 357 O GLU A 27 5.435 3.245 -4.600 1.00 0.00 O ATOM 358 CB GLU A 27 4.891 6.613 -3.847 1.00 0.00 C ATOM 359 CG GLU A 27 5.857 6.763 -2.670 1.00 0.00 C ATOM 360 CD GLU A 27 5.278 7.690 -1.600 1.00 0.00 C ATOM 361 OE1 GLU A 27 4.042 7.642 -1.416 1.00 0.00 O ATOM 362 OE2 GLU A 27 6.083 8.425 -0.989 1.00 0.00 O ATOM 0 H GLU A 27 4.717 7.001 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 27 6.504 5.504 -4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.727 7.584 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.923 6.265 -3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.062 5.784 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.808 7.160 -3.024 1.00 0.00 H new ATOM 369 N GLN A 28 3.439 4.285 -4.821 1.00 0.00 N ATOM 370 CA GLN A 28 2.664 3.060 -4.713 1.00 0.00 C ATOM 371 C GLN A 28 3.176 2.019 -5.710 1.00 0.00 C ATOM 372 O GLN A 28 3.348 0.852 -5.361 1.00 0.00 O ATOM 373 CB GLN A 28 1.174 3.334 -4.922 1.00 0.00 C ATOM 374 CG GLN A 28 0.664 4.381 -3.929 1.00 0.00 C ATOM 375 CD GLN A 28 0.690 3.838 -2.499 1.00 0.00 C ATOM 376 OE1 GLN A 28 -0.318 3.437 -1.941 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.896 3.849 -1.938 1.00 0.00 N ATOM 0 H GLN A 28 2.884 5.131 -4.949 1.00 0.00 H new ATOM 0 HA GLN A 28 2.788 2.662 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.004 3.681 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.610 2.409 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.280 5.278 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.353 4.673 -4.193 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.699 4.198 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.018 3.508 -0.984 1.00 0.00 H new ATOM 386 N LYS A 29 3.404 2.478 -6.932 1.00 0.00 N ATOM 387 CA LYS A 29 3.892 1.601 -7.982 1.00 0.00 C ATOM 388 C LYS A 29 5.189 0.932 -7.521 1.00 0.00 C ATOM 389 O LYS A 29 5.244 -0.288 -7.373 1.00 0.00 O ATOM 390 CB LYS A 29 4.030 2.367 -9.299 1.00 0.00 C ATOM 391 CG LYS A 29 3.211 1.703 -10.408 1.00 0.00 C ATOM 392 CD LYS A 29 3.677 2.170 -11.788 1.00 0.00 C ATOM 393 CE LYS A 29 3.486 3.679 -11.950 1.00 0.00 C ATOM 394 NZ LYS A 29 3.177 4.014 -13.358 1.00 0.00 N ATOM 0 H LYS A 29 3.260 3.446 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 29 3.174 0.804 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.697 3.396 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.079 2.408 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.305 0.620 -10.336 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.155 1.940 -10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.728 1.916 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.118 1.644 -12.562 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.678 4.021 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.389 4.202 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.050 5.042 -13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.961 3.705 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.303 3.530 -13.646 1.00 0.00 H new ATOM 408 N GLU A 30 6.200 1.761 -7.306 1.00 0.00 N ATOM 409 CA GLU A 30 7.493 1.265 -6.865 1.00 0.00 C ATOM 410 C GLU A 30 7.340 0.466 -5.569 1.00 0.00 C ATOM 411 O GLU A 30 7.911 -0.614 -5.431 1.00 0.00 O ATOM 412 CB GLU A 30 8.489 2.413 -6.688 1.00 0.00 C ATOM 413 CG GLU A 30 8.867 3.023 -8.039 1.00 0.00 C ATOM 414 CD GLU A 30 10.386 3.154 -8.175 1.00 0.00 C ATOM 415 OE1 GLU A 30 10.953 3.983 -7.432 1.00 0.00 O ATOM 416 OE2 GLU A 30 10.945 2.421 -9.019 1.00 0.00 O ATOM 0 H GLU A 30 6.150 2.772 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 30 7.888 0.601 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.055 3.180 -6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.385 2.048 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.478 2.400 -8.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.403 4.004 -8.142 1.00 0.00 H new ATOM 423 N ARG A 31 6.568 1.030 -4.651 1.00 0.00 N ATOM 424 CA ARG A 31 6.333 0.384 -3.371 1.00 0.00 C ATOM 425 C ARG A 31 5.924 -1.076 -3.580 1.00 0.00 C ATOM 426 O ARG A 31 6.515 -1.980 -2.993 1.00 0.00 O ATOM 427 CB ARG A 31 5.239 1.105 -2.582 1.00 0.00 C ATOM 428 CG ARG A 31 5.730 2.465 -2.082 1.00 0.00 C ATOM 429 CD ARG A 31 6.248 2.367 -0.646 1.00 0.00 C ATOM 430 NE ARG A 31 7.712 2.144 -0.650 1.00 0.00 N ATOM 431 CZ ARG A 31 8.616 3.100 -0.899 1.00 0.00 C ATOM 432 NH1 ARG A 31 8.214 4.350 -1.166 1.00 0.00 N ATOM 433 NH2 ARG A 31 9.924 2.806 -0.882 1.00 0.00 N ATOM 0 H ARG A 31 6.097 1.927 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 31 7.262 0.427 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.360 1.241 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.932 0.491 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.523 2.832 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.917 3.189 -2.130 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.013 3.282 -0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.749 1.550 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 31 8.053 1.204 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.219 4.574 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.903 5.078 -1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.230 1.854 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.613 3.534 -1.072 1.00 0.00 H new ATOM 447 N MET A 32 4.914 -1.259 -4.418 1.00 0.00 N ATOM 448 CA MET A 32 4.419 -2.593 -4.712 1.00 0.00 C ATOM 449 C MET A 32 5.468 -3.415 -5.463 1.00 0.00 C ATOM 450 O MET A 32 5.673 -4.590 -5.164 1.00 0.00 O ATOM 451 CB MET A 32 3.148 -2.491 -5.558 1.00 0.00 C ATOM 452 CG MET A 32 1.992 -1.908 -4.743 1.00 0.00 C ATOM 453 SD MET A 32 0.454 -2.126 -5.623 1.00 0.00 S ATOM 454 CE MET A 32 0.016 -0.420 -5.908 1.00 0.00 C ATOM 0 H MET A 32 4.425 -0.506 -4.902 1.00 0.00 H new ATOM 0 HA MET A 32 4.200 -3.094 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 32 3.336 -1.864 -6.429 1.00 0.00 H new ATOM 0 HB3 MET A 32 2.874 -3.478 -5.930 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.937 -2.399 -3.771 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.166 -0.848 -4.556 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.990 -0.235 -5.531 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.723 0.228 -5.390 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.047 -0.210 -6.977 1.00 0.00 H new ATOM 464 N LEU A 33 6.105 -2.764 -6.426 1.00 0.00 N ATOM 465 CA LEU A 33 7.129 -3.419 -7.222 1.00 0.00 C ATOM 466 C LEU A 33 8.204 -3.990 -6.295 1.00 0.00 C ATOM 467 O LEU A 33 8.615 -5.139 -6.448 1.00 0.00 O ATOM 468 CB LEU A 33 7.676 -2.463 -8.283 1.00 0.00 C ATOM 469 CG LEU A 33 7.161 -2.676 -9.708 1.00 0.00 C ATOM 470 CD1 LEU A 33 6.598 -1.376 -10.287 1.00 0.00 C ATOM 471 CD2 LEU A 33 8.248 -3.277 -10.601 1.00 0.00 C ATOM 0 H LEU A 33 5.931 -1.790 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 33 6.704 -4.259 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.439 -1.443 -7.981 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.763 -2.548 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 33 6.342 -3.394 -9.671 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.239 -1.555 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.773 -1.028 -9.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.381 -0.618 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.855 -3.418 -11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.104 -2.603 -10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.561 -4.239 -10.196 1.00 0.00 H new ATOM 483 N ALA A 34 8.629 -3.159 -5.353 1.00 0.00 N ATOM 484 CA ALA A 34 9.648 -3.567 -4.401 1.00 0.00 C ATOM 485 C ALA A 34 9.111 -4.716 -3.546 1.00 0.00 C ATOM 486 O ALA A 34 9.858 -5.620 -3.175 1.00 0.00 O ATOM 487 CB ALA A 34 10.070 -2.361 -3.559 1.00 0.00 C ATOM 0 H ALA A 34 8.286 -2.206 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 34 10.535 -3.930 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.834 -2.666 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.471 -1.585 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.205 -1.972 -3.021 1.00 0.00 H new ATOM 493 N LEU A 35 7.820 -4.645 -3.259 1.00 0.00 N ATOM 494 CA LEU A 35 7.174 -5.668 -2.454 1.00 0.00 C ATOM 495 C LEU A 35 7.066 -6.958 -3.270 1.00 0.00 C ATOM 496 O LEU A 35 7.464 -8.025 -2.805 1.00 0.00 O ATOM 497 CB LEU A 35 5.832 -5.163 -1.921 1.00 0.00 C ATOM 498 CG LEU A 35 4.902 -6.225 -1.332 1.00 0.00 C ATOM 499 CD1 LEU A 35 5.417 -6.715 0.023 1.00 0.00 C ATOM 500 CD2 LEU A 35 3.464 -5.709 -1.246 1.00 0.00 C ATOM 0 H LEU A 35 7.203 -3.894 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 35 7.774 -5.896 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.027 -4.414 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.308 -4.659 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 35 4.896 -7.083 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.737 -7.469 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.409 -7.149 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.472 -5.876 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.824 -6.484 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.432 -4.825 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.110 -5.450 -2.244 1.00 0.00 H new ATOM 512 N ALA A 36 6.525 -6.818 -4.471 1.00 0.00 N ATOM 513 CA ALA A 36 6.359 -7.959 -5.355 1.00 0.00 C ATOM 514 C ALA A 36 7.704 -8.670 -5.520 1.00 0.00 C ATOM 515 O ALA A 36 7.768 -9.898 -5.491 1.00 0.00 O ATOM 516 CB ALA A 36 5.780 -7.489 -6.692 1.00 0.00 C ATOM 0 H ALA A 36 6.196 -5.931 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 36 5.657 -8.676 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.655 -8.345 -7.355 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.812 -7.017 -6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.460 -6.771 -7.150 1.00 0.00 H new ATOM 522 N GLU A 37 8.745 -7.868 -5.690 1.00 0.00 N ATOM 523 CA GLU A 37 10.084 -8.406 -5.860 1.00 0.00 C ATOM 524 C GLU A 37 10.616 -8.935 -4.527 1.00 0.00 C ATOM 525 O GLU A 37 11.674 -9.561 -4.481 1.00 0.00 O ATOM 526 CB GLU A 37 11.027 -7.354 -6.448 1.00 0.00 C ATOM 527 CG GLU A 37 10.787 -7.180 -7.949 1.00 0.00 C ATOM 528 CD GLU A 37 12.024 -6.603 -8.639 1.00 0.00 C ATOM 529 OE1 GLU A 37 12.202 -5.369 -8.546 1.00 0.00 O ATOM 530 OE2 GLU A 37 12.765 -7.409 -9.243 1.00 0.00 O ATOM 0 H GLU A 37 8.688 -6.850 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 37 10.034 -9.236 -6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.877 -6.402 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.062 -7.650 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.534 -8.142 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.935 -6.520 -8.110 1.00 0.00 H new ATOM 537 N ARG A 38 9.858 -8.665 -3.474 1.00 0.00 N ATOM 538 CA ARG A 38 10.240 -9.107 -2.144 1.00 0.00 C ATOM 539 C ARG A 38 9.458 -10.363 -1.756 1.00 0.00 C ATOM 540 O ARG A 38 10.040 -11.342 -1.291 1.00 0.00 O ATOM 541 CB ARG A 38 9.982 -8.013 -1.105 1.00 0.00 C ATOM 542 CG ARG A 38 9.822 -8.612 0.294 1.00 0.00 C ATOM 543 CD ARG A 38 9.916 -7.528 1.369 1.00 0.00 C ATOM 544 NE ARG A 38 10.664 -8.039 2.539 1.00 0.00 N ATOM 545 CZ ARG A 38 11.291 -7.257 3.429 1.00 0.00 C ATOM 546 NH1 ARG A 38 11.263 -5.925 3.289 1.00 0.00 N ATOM 547 NH2 ARG A 38 11.945 -7.809 4.461 1.00 0.00 N ATOM 0 H ARG A 38 8.981 -8.146 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 38 11.307 -9.331 -2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.808 -7.302 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.083 -7.458 -1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.860 -9.120 0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.593 -9.364 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.414 -6.646 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.916 -7.218 1.673 1.00 0.00 H new ATOM 0 HE ARG A 38 10.705 -9.049 2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.764 -5.505 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.740 -5.331 3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.965 -8.823 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.422 -7.215 5.139 1.00 0.00 H new ATOM 561 N ILE A 39 8.151 -10.296 -1.963 1.00 0.00 N ATOM 562 CA ILE A 39 7.283 -11.416 -1.641 1.00 0.00 C ATOM 563 C ILE A 39 7.287 -12.409 -2.805 1.00 0.00 C ATOM 564 O ILE A 39 7.173 -13.616 -2.597 1.00 0.00 O ATOM 565 CB ILE A 39 5.887 -10.920 -1.260 1.00 0.00 C ATOM 566 CG1 ILE A 39 5.190 -10.271 -2.458 1.00 0.00 C ATOM 567 CG2 ILE A 39 5.949 -9.980 -0.055 1.00 0.00 C ATOM 568 CD1 ILE A 39 3.800 -9.759 -2.072 1.00 0.00 C ATOM 0 H ILE A 39 7.672 -9.483 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 39 7.656 -11.948 -0.766 1.00 0.00 H new ATOM 0 HB ILE A 39 5.287 -11.781 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.795 -9.445 -2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.103 -10.995 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.943 -9.642 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.376 -10.508 0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.572 -9.119 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.326 -9.302 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.190 -10.592 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.893 -9.018 -1.278 1.00 0.00 H new ATOM 580 N GLY A 40 7.418 -11.864 -4.006 1.00 0.00 N ATOM 581 CA GLY A 40 7.438 -12.686 -5.203 1.00 0.00 C ATOM 582 C GLY A 40 6.142 -12.525 -6.001 1.00 0.00 C ATOM 583 O GLY A 40 5.571 -13.509 -6.470 1.00 0.00 O ATOM 0 H GLY A 40 7.511 -10.862 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.289 -12.408 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.572 -13.732 -4.928 1.00 0.00 H new ATOM 587 N TRP A 41 5.715 -11.278 -6.129 1.00 0.00 N ATOM 588 CA TRP A 41 4.497 -10.975 -6.862 1.00 0.00 C ATOM 589 C TRP A 41 3.422 -11.973 -6.424 1.00 0.00 C ATOM 590 O TRP A 41 2.510 -12.283 -7.189 1.00 0.00 O ATOM 591 CB TRP A 41 4.747 -10.989 -8.371 1.00 0.00 C ATOM 592 CG TRP A 41 5.843 -10.026 -8.829 1.00 0.00 C ATOM 593 CD1 TRP A 41 7.163 -10.116 -8.617 1.00 0.00 C ATOM 594 CD2 TRP A 41 5.659 -8.814 -9.591 1.00 0.00 C ATOM 595 NE1 TRP A 41 7.841 -9.056 -9.184 1.00 0.00 N ATOM 596 CE2 TRP A 41 6.897 -8.239 -9.795 1.00 0.00 C ATOM 597 CE3 TRP A 41 4.486 -8.223 -10.091 1.00 0.00 C ATOM 598 CZ2 TRP A 41 7.081 -7.045 -10.502 1.00 0.00 C ATOM 599 CZ3 TRP A 41 4.686 -7.030 -10.796 1.00 0.00 C ATOM 600 CH2 TRP A 41 5.926 -6.438 -11.010 1.00 0.00 C ATOM 0 H TRP A 41 6.191 -10.465 -5.738 1.00 0.00 H new ATOM 0 HA TRP A 41 4.150 -9.967 -6.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.016 -12.001 -8.675 1.00 0.00 H new ATOM 0 HB3 TRP A 41 3.819 -10.738 -8.885 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.637 -10.918 -8.071 1.00 0.00 H new ATOM 0 HE1 TRP A 41 8.849 -8.901 -9.159 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.507 -8.655 -9.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.061 -6.615 -10.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.816 -6.535 -11.202 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.998 -5.515 -11.565 1.00 0.00 H new ATOM 611 N ARG A 42 3.565 -12.447 -5.195 1.00 0.00 N ATOM 612 CA ARG A 42 2.618 -13.403 -4.647 1.00 0.00 C ATOM 613 C ARG A 42 2.153 -12.953 -3.261 1.00 0.00 C ATOM 614 O ARG A 42 2.637 -11.953 -2.733 1.00 0.00 O ATOM 615 CB ARG A 42 3.240 -14.796 -4.542 1.00 0.00 C ATOM 616 CG ARG A 42 4.137 -14.905 -3.307 1.00 0.00 C ATOM 617 CD ARG A 42 4.745 -16.304 -3.192 1.00 0.00 C ATOM 618 NE ARG A 42 3.685 -17.329 -3.321 1.00 0.00 N ATOM 619 CZ ARG A 42 3.292 -17.860 -4.487 1.00 0.00 C ATOM 620 NH1 ARG A 42 3.869 -17.467 -5.631 1.00 0.00 N ATOM 621 NH2 ARG A 42 2.322 -18.785 -4.509 1.00 0.00 N ATOM 0 H ARG A 42 4.322 -12.187 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 42 1.764 -13.450 -5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.452 -15.547 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.823 -15.006 -5.439 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.933 -14.162 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.557 -14.682 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.497 -16.447 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.252 -16.412 -2.233 1.00 0.00 H new ATOM 0 HE ARG A 42 3.225 -17.651 -2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.607 -16.764 -5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.570 -17.871 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.883 -19.085 -3.638 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.023 -19.189 -5.396 1.00 0.00 H new ATOM 635 N ILE A 43 1.218 -13.714 -2.710 1.00 0.00 N ATOM 636 CA ILE A 43 0.682 -13.407 -1.395 1.00 0.00 C ATOM 637 C ILE A 43 0.518 -14.704 -0.600 1.00 0.00 C ATOM 638 O ILE A 43 0.059 -15.711 -1.136 1.00 0.00 O ATOM 639 CB ILE A 43 -0.608 -12.594 -1.518 1.00 0.00 C ATOM 640 CG1 ILE A 43 -0.328 -11.205 -2.096 1.00 0.00 C ATOM 641 CG2 ILE A 43 -1.340 -12.520 -0.177 1.00 0.00 C ATOM 642 CD1 ILE A 43 -1.532 -10.688 -2.887 1.00 0.00 C ATOM 0 H ILE A 43 0.818 -14.542 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 43 1.376 -12.777 -0.839 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.269 -13.106 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.094 -10.511 -1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.547 -11.247 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.253 -11.936 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.592 -13.527 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.697 -12.044 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.307 -9.699 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.748 -11.371 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.399 -10.625 -2.230 1.00 0.00 H new ATOM 654 N GLN A 44 0.903 -14.637 0.666 1.00 0.00 N ATOM 655 CA GLN A 44 0.804 -15.793 1.541 1.00 0.00 C ATOM 656 C GLN A 44 0.355 -15.365 2.939 1.00 0.00 C ATOM 657 O GLN A 44 0.309 -14.173 3.242 1.00 0.00 O ATOM 658 CB GLN A 44 2.132 -16.551 1.599 1.00 0.00 C ATOM 659 CG GLN A 44 2.380 -17.324 0.302 1.00 0.00 C ATOM 660 CD GLN A 44 2.971 -18.706 0.592 1.00 0.00 C ATOM 661 OE1 GLN A 44 2.281 -19.711 0.620 1.00 0.00 O ATOM 662 NE2 GLN A 44 4.284 -18.698 0.805 1.00 0.00 N ATOM 0 H GLN A 44 1.284 -13.800 1.107 1.00 0.00 H new ATOM 0 HA GLN A 44 0.054 -16.470 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.948 -15.849 1.770 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.124 -17.242 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.444 -17.432 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.060 -16.761 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.802 -17.820 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.773 -19.570 1.007 1.00 0.00 H new ATOM 671 N ARG A 45 0.036 -16.359 3.754 1.00 0.00 N ATOM 672 CA ARG A 45 -0.407 -16.100 5.113 1.00 0.00 C ATOM 673 C ARG A 45 0.778 -15.687 5.989 1.00 0.00 C ATOM 674 O ARG A 45 0.601 -15.342 7.156 1.00 0.00 O ATOM 675 CB ARG A 45 -1.075 -17.336 5.720 1.00 0.00 C ATOM 676 CG ARG A 45 -1.854 -16.973 6.986 1.00 0.00 C ATOM 677 CD ARG A 45 -1.051 -17.320 8.242 1.00 0.00 C ATOM 678 NE ARG A 45 -1.850 -18.198 9.126 1.00 0.00 N ATOM 679 CZ ARG A 45 -2.187 -19.459 8.826 1.00 0.00 C ATOM 680 NH1 ARG A 45 -1.798 -19.999 7.664 1.00 0.00 N ATOM 681 NH2 ARG A 45 -2.915 -20.182 9.690 1.00 0.00 N ATOM 0 H ARG A 45 0.076 -17.346 3.499 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.135 -15.289 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.749 -17.785 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.318 -18.084 5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.087 -15.908 6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.804 -17.507 6.998 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.122 -17.818 7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.777 -16.408 8.772 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.164 -17.819 10.020 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.244 -19.450 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.055 -20.959 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.212 -19.771 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.172 -21.142 9.462 1.00 0.00 H new ATOM 695 N GLN A 46 1.959 -15.736 5.391 1.00 0.00 N ATOM 696 CA GLN A 46 3.173 -15.372 6.102 1.00 0.00 C ATOM 697 C GLN A 46 3.537 -13.913 5.817 1.00 0.00 C ATOM 698 O GLN A 46 3.902 -13.171 6.728 1.00 0.00 O ATOM 699 CB GLN A 46 4.326 -16.306 5.733 1.00 0.00 C ATOM 700 CG GLN A 46 4.045 -17.736 6.201 1.00 0.00 C ATOM 701 CD GLN A 46 5.169 -18.247 7.105 1.00 0.00 C ATOM 702 OE1 GLN A 46 6.335 -18.247 6.749 1.00 0.00 O ATOM 703 NE2 GLN A 46 4.753 -18.682 8.291 1.00 0.00 N ATOM 0 H GLN A 46 2.101 -16.022 4.422 1.00 0.00 H new ATOM 0 HA GLN A 46 2.990 -15.479 7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.476 -16.296 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.250 -15.946 6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.098 -17.767 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.942 -18.392 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.761 -18.654 8.525 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.426 -19.044 8.966 1.00 0.00 H new ATOM 712 N ASP A 47 3.424 -13.545 4.550 1.00 0.00 N ATOM 713 CA ASP A 47 3.737 -12.188 4.134 1.00 0.00 C ATOM 714 C ASP A 47 2.616 -11.250 4.585 1.00 0.00 C ATOM 715 O ASP A 47 2.756 -10.030 4.514 1.00 0.00 O ATOM 716 CB ASP A 47 3.850 -12.091 2.611 1.00 0.00 C ATOM 717 CG ASP A 47 4.842 -13.065 1.973 1.00 0.00 C ATOM 718 OD1 ASP A 47 6.057 -12.846 2.168 1.00 0.00 O ATOM 719 OD2 ASP A 47 4.363 -14.006 1.304 1.00 0.00 O ATOM 0 H ASP A 47 3.120 -14.163 3.797 1.00 0.00 H new ATOM 0 HA ASP A 47 4.689 -11.908 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.865 -12.263 2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.142 -11.074 2.347 1.00 0.00 H new ATOM 724 N ASP A 48 1.529 -11.855 5.041 1.00 0.00 N ATOM 725 CA ASP A 48 0.385 -11.089 5.505 1.00 0.00 C ATOM 726 C ASP A 48 0.876 -9.887 6.315 1.00 0.00 C ATOM 727 O ASP A 48 0.621 -8.741 5.949 1.00 0.00 O ATOM 728 CB ASP A 48 -0.514 -11.934 6.409 1.00 0.00 C ATOM 729 CG ASP A 48 -1.599 -12.730 5.681 1.00 0.00 C ATOM 730 OD1 ASP A 48 -1.791 -12.457 4.476 1.00 0.00 O ATOM 731 OD2 ASP A 48 -2.211 -13.594 6.345 1.00 0.00 O ATOM 0 H ASP A 48 1.416 -12.867 5.099 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.183 -10.768 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.111 -12.629 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.992 -11.278 7.136 1.00 0.00 H new ATOM 736 N GLU A 49 1.570 -10.191 7.402 1.00 0.00 N ATOM 737 CA GLU A 49 2.099 -9.151 8.267 1.00 0.00 C ATOM 738 C GLU A 49 2.698 -8.018 7.431 1.00 0.00 C ATOM 739 O GLU A 49 2.578 -6.847 7.789 1.00 0.00 O ATOM 740 CB GLU A 49 3.133 -9.720 9.240 1.00 0.00 C ATOM 741 CG GLU A 49 4.297 -10.368 8.487 1.00 0.00 C ATOM 742 CD GLU A 49 5.294 -11.002 9.458 1.00 0.00 C ATOM 743 OE1 GLU A 49 4.964 -12.088 9.982 1.00 0.00 O ATOM 744 OE2 GLU A 49 6.364 -10.387 9.655 1.00 0.00 O ATOM 0 H GLU A 49 1.778 -11.143 7.703 1.00 0.00 H new ATOM 0 HA GLU A 49 1.278 -8.745 8.858 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.509 -8.924 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.660 -10.457 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.915 -11.128 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.803 -9.619 7.879 1.00 0.00 H new ATOM 751 N VAL A 50 3.330 -8.406 6.333 1.00 0.00 N ATOM 752 CA VAL A 50 3.948 -7.438 5.444 1.00 0.00 C ATOM 753 C VAL A 50 2.876 -6.826 4.539 1.00 0.00 C ATOM 754 O VAL A 50 2.818 -5.609 4.375 1.00 0.00 O ATOM 755 CB VAL A 50 5.085 -8.098 4.661 1.00 0.00 C ATOM 756 CG1 VAL A 50 6.001 -7.046 4.033 1.00 0.00 C ATOM 757 CG2 VAL A 50 5.879 -9.056 5.550 1.00 0.00 C ATOM 0 H VAL A 50 3.427 -9.378 6.039 1.00 0.00 H new ATOM 0 HA VAL A 50 4.394 -6.625 6.016 1.00 0.00 H new ATOM 0 HB VAL A 50 4.641 -8.681 3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.800 -7.542 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.424 -6.421 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.432 -6.424 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.681 -9.511 4.969 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.306 -8.505 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.217 -9.835 5.928 1.00 0.00 H new ATOM 767 N ILE A 51 2.054 -7.699 3.976 1.00 0.00 N ATOM 768 CA ILE A 51 0.987 -7.260 3.093 1.00 0.00 C ATOM 769 C ILE A 51 0.138 -6.208 3.809 1.00 0.00 C ATOM 770 O ILE A 51 0.050 -5.066 3.361 1.00 0.00 O ATOM 771 CB ILE A 51 0.182 -8.459 2.587 1.00 0.00 C ATOM 772 CG1 ILE A 51 1.087 -9.463 1.870 1.00 0.00 C ATOM 773 CG2 ILE A 51 -0.983 -8.005 1.705 1.00 0.00 C ATOM 774 CD1 ILE A 51 1.273 -9.081 0.400 1.00 0.00 C ATOM 0 H ILE A 51 2.105 -8.708 4.114 1.00 0.00 H new ATOM 0 HA ILE A 51 1.401 -6.785 2.204 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.247 -8.970 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.057 -9.502 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.655 -10.461 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.538 -8.877 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.645 -7.358 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.597 -7.456 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.920 -9.811 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.303 -9.067 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.728 -8.093 0.336 1.00 0.00 H new ATOM 786 N GLN A 52 -0.465 -6.630 4.911 1.00 0.00 N ATOM 787 CA GLN A 52 -1.304 -5.739 5.694 1.00 0.00 C ATOM 788 C GLN A 52 -0.508 -4.506 6.128 1.00 0.00 C ATOM 789 O GLN A 52 -0.981 -3.379 5.994 1.00 0.00 O ATOM 790 CB GLN A 52 -1.895 -6.464 6.904 1.00 0.00 C ATOM 791 CG GLN A 52 -2.989 -7.443 6.476 1.00 0.00 C ATOM 792 CD GLN A 52 -2.713 -8.847 7.019 1.00 0.00 C ATOM 793 OE1 GLN A 52 -2.375 -9.037 8.176 1.00 0.00 O ATOM 794 NE2 GLN A 52 -2.875 -9.816 6.123 1.00 0.00 N ATOM 0 H GLN A 52 -0.389 -7.578 5.280 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.134 -5.410 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.107 -7.002 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.307 -5.736 7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.956 -7.093 6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.048 -7.475 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.160 -9.588 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.715 -10.788 6.388 1.00 0.00 H new ATOM 803 N ARG A 53 0.687 -4.763 6.639 1.00 0.00 N ATOM 804 CA ARG A 53 1.553 -3.688 7.093 1.00 0.00 C ATOM 805 C ARG A 53 1.802 -2.691 5.959 1.00 0.00 C ATOM 806 O ARG A 53 1.613 -1.488 6.133 1.00 0.00 O ATOM 807 CB ARG A 53 2.895 -4.233 7.587 1.00 0.00 C ATOM 808 CG ARG A 53 3.917 -3.107 7.751 1.00 0.00 C ATOM 809 CD ARG A 53 3.490 -2.136 8.854 1.00 0.00 C ATOM 810 NE ARG A 53 4.648 -1.323 9.288 1.00 0.00 N ATOM 811 CZ ARG A 53 4.546 -0.182 9.984 1.00 0.00 C ATOM 812 NH1 ARG A 53 3.339 0.287 10.329 1.00 0.00 N ATOM 813 NH2 ARG A 53 5.651 0.490 10.335 1.00 0.00 N ATOM 0 H ARG A 53 1.076 -5.700 6.749 1.00 0.00 H new ATOM 0 HA ARG A 53 1.051 -3.185 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.756 -4.744 8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.273 -4.972 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.893 -3.529 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.025 -2.569 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.695 -1.486 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.086 -2.690 9.701 1.00 0.00 H new ATOM 0 HE ARG A 53 5.582 -1.651 9.042 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.498 -0.224 10.062 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.262 1.155 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.570 0.133 10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.573 1.358 10.865 1.00 0.00 H new ATOM 827 N PHE A 54 2.221 -3.228 4.823 1.00 0.00 N ATOM 828 CA PHE A 54 2.498 -2.401 3.661 1.00 0.00 C ATOM 829 C PHE A 54 1.288 -1.535 3.305 1.00 0.00 C ATOM 830 O PHE A 54 1.441 -0.443 2.760 1.00 0.00 O ATOM 831 CB PHE A 54 2.792 -3.349 2.497 1.00 0.00 C ATOM 832 CG PHE A 54 2.674 -2.696 1.118 1.00 0.00 C ATOM 833 CD1 PHE A 54 1.448 -2.482 0.569 1.00 0.00 C ATOM 834 CD2 PHE A 54 3.795 -2.329 0.441 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.339 -1.877 -0.710 1.00 0.00 C ATOM 836 CE2 PHE A 54 3.686 -1.724 -0.838 1.00 0.00 C ATOM 837 CZ PHE A 54 2.460 -1.510 -1.387 1.00 0.00 C ATOM 0 H PHE A 54 2.376 -4.226 4.682 1.00 0.00 H new ATOM 0 HA PHE A 54 3.338 -1.738 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.799 -3.749 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.105 -4.194 2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.557 -2.773 1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.769 -2.498 0.877 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.365 -1.708 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.577 -1.433 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.377 -1.049 -2.360 1.00 0.00 H new ATOM 847 N CYS A 55 0.113 -2.054 3.628 1.00 0.00 N ATOM 848 CA CYS A 55 -1.123 -1.342 3.348 1.00 0.00 C ATOM 849 C CYS A 55 -1.247 -0.187 4.344 1.00 0.00 C ATOM 850 O CYS A 55 -2.056 0.719 4.152 1.00 0.00 O ATOM 851 CB CYS A 55 -2.336 -2.272 3.399 1.00 0.00 C ATOM 852 SG CYS A 55 -2.233 -3.510 2.055 1.00 0.00 S ATOM 0 H CYS A 55 -0.010 -2.960 4.081 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.095 -0.945 2.333 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.379 -2.775 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.254 -1.692 3.301 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.859 -3.065 1.006 1.00 0.00 H new ATOM 858 N GLN A 56 -0.432 -0.257 5.387 1.00 0.00 N ATOM 859 CA GLN A 56 -0.441 0.772 6.413 1.00 0.00 C ATOM 860 C GLN A 56 0.476 1.929 6.013 1.00 0.00 C ATOM 861 O GLN A 56 0.200 3.084 6.334 1.00 0.00 O ATOM 862 CB GLN A 56 -0.035 0.195 7.771 1.00 0.00 C ATOM 863 CG GLN A 56 -0.924 -0.990 8.152 1.00 0.00 C ATOM 864 CD GLN A 56 -1.132 -1.056 9.666 1.00 0.00 C ATOM 865 OE1 GLN A 56 -2.088 -0.530 10.211 1.00 0.00 O ATOM 866 NE2 GLN A 56 -0.185 -1.730 10.313 1.00 0.00 N ATOM 0 H GLN A 56 0.238 -1.010 5.543 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.457 1.155 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.007 -0.124 7.738 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.108 0.969 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.889 -0.901 7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.469 -1.917 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.589 -2.146 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.233 -1.831 11.327 1.00 0.00 H new ATOM 875 N GLU A 57 1.548 1.579 5.317 1.00 0.00 N ATOM 876 CA GLU A 57 2.507 2.574 4.870 1.00 0.00 C ATOM 877 C GLU A 57 2.036 3.216 3.563 1.00 0.00 C ATOM 878 O GLU A 57 2.302 4.391 3.313 1.00 0.00 O ATOM 879 CB GLU A 57 3.899 1.960 4.707 1.00 0.00 C ATOM 880 CG GLU A 57 4.019 1.217 3.376 1.00 0.00 C ATOM 881 CD GLU A 57 5.467 0.802 3.107 1.00 0.00 C ATOM 882 OE1 GLU A 57 6.270 1.711 2.805 1.00 0.00 O ATOM 883 OE2 GLU A 57 5.738 -0.414 3.210 1.00 0.00 O ATOM 0 H GLU A 57 1.773 0.620 5.052 1.00 0.00 H new ATOM 0 HA GLU A 57 2.575 3.351 5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.654 2.744 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.096 1.273 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.381 0.334 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.663 1.854 2.566 1.00 0.00 H new ATOM 890 N THR A 58 1.343 2.417 2.765 1.00 0.00 N ATOM 891 CA THR A 58 0.832 2.892 1.491 1.00 0.00 C ATOM 892 C THR A 58 -0.643 3.280 1.619 1.00 0.00 C ATOM 893 O THR A 58 -0.993 4.452 1.491 1.00 0.00 O ATOM 894 CB THR A 58 1.086 1.806 0.444 1.00 0.00 C ATOM 895 OG1 THR A 58 0.372 0.675 0.938 1.00 0.00 O ATOM 896 CG2 THR A 58 2.544 1.344 0.421 1.00 0.00 C ATOM 0 H THR A 58 1.124 1.444 2.976 1.00 0.00 H new ATOM 0 HA THR A 58 1.347 3.798 1.172 1.00 0.00 H new ATOM 0 HB THR A 58 0.808 2.180 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.968 0.127 1.490 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.669 0.573 -0.339 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.190 2.191 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.813 0.939 1.396 1.00 0.00 H new ATOM 904 N GLY A 59 -1.467 2.273 1.869 1.00 0.00 N ATOM 905 CA GLY A 59 -2.895 2.494 2.016 1.00 0.00 C ATOM 906 C GLY A 59 -3.681 1.719 0.957 1.00 0.00 C ATOM 907 O GLY A 59 -4.908 1.798 0.908 1.00 0.00 O ATOM 0 H GLY A 59 -1.173 1.302 1.973 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.214 2.183 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.113 3.558 1.929 1.00 0.00 H new ATOM 911 N VAL A 60 -2.943 0.987 0.135 1.00 0.00 N ATOM 912 CA VAL A 60 -3.556 0.198 -0.920 1.00 0.00 C ATOM 913 C VAL A 60 -4.234 -1.028 -0.306 1.00 0.00 C ATOM 914 O VAL A 60 -3.719 -1.616 0.645 1.00 0.00 O ATOM 915 CB VAL A 60 -2.511 -0.163 -1.977 1.00 0.00 C ATOM 916 CG1 VAL A 60 -3.102 -1.096 -3.036 1.00 0.00 C ATOM 917 CG2 VAL A 60 -1.924 1.095 -2.621 1.00 0.00 C ATOM 0 H VAL A 60 -1.926 0.924 0.178 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.328 0.775 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.700 -0.693 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.338 -1.337 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.449 -2.013 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.941 -0.603 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.184 0.810 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.721 1.665 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.448 1.708 -1.855 1.00 0.00 H new ATOM 927 N PRO A 61 -5.409 -1.387 -0.888 1.00 0.00 N ATOM 928 CA PRO A 61 -6.163 -2.533 -0.408 1.00 0.00 C ATOM 929 C PRO A 61 -5.506 -3.844 -0.845 1.00 0.00 C ATOM 930 O PRO A 61 -4.998 -3.946 -1.961 1.00 0.00 O ATOM 931 CB PRO A 61 -7.560 -2.351 -0.978 1.00 0.00 C ATOM 932 CG PRO A 61 -7.417 -1.367 -2.127 1.00 0.00 C ATOM 933 CD PRO A 61 -6.049 -0.715 -2.015 1.00 0.00 C ATOM 0 HA PRO A 61 -6.195 -2.590 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.967 -3.301 -1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.244 -1.970 -0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.518 -1.880 -3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.204 -0.614 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -5.473 -0.843 -2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.135 0.357 -1.840 1.00 0.00 H new ATOM 941 N ARG A 62 -5.537 -4.814 0.057 1.00 0.00 N ATOM 942 CA ARG A 62 -4.950 -6.114 -0.221 1.00 0.00 C ATOM 943 C ARG A 62 -5.433 -6.634 -1.577 1.00 0.00 C ATOM 944 O ARG A 62 -4.624 -6.945 -2.450 1.00 0.00 O ATOM 945 CB ARG A 62 -5.315 -7.126 0.866 1.00 0.00 C ATOM 946 CG ARG A 62 -4.838 -8.530 0.489 1.00 0.00 C ATOM 947 CD ARG A 62 -4.633 -9.393 1.737 1.00 0.00 C ATOM 948 NE ARG A 62 -5.794 -10.291 1.928 1.00 0.00 N ATOM 949 CZ ARG A 62 -6.917 -9.941 2.570 1.00 0.00 C ATOM 950 NH1 ARG A 62 -7.037 -8.711 3.088 1.00 0.00 N ATOM 951 NH2 ARG A 62 -7.919 -10.821 2.695 1.00 0.00 N ATOM 0 H ARG A 62 -5.960 -4.726 0.981 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.867 -5.993 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.865 -6.827 1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.395 -7.132 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.569 -9.002 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.904 -8.463 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.721 -9.981 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.507 -8.756 2.613 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.736 -11.235 1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.274 -8.041 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.892 -8.445 3.577 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.827 -11.758 2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.774 -10.555 3.184 1.00 0.00 H new ATOM 965 N GLN A 63 -6.748 -6.714 -1.710 1.00 0.00 N ATOM 966 CA GLN A 63 -7.348 -7.192 -2.944 1.00 0.00 C ATOM 967 C GLN A 63 -6.692 -6.516 -4.149 1.00 0.00 C ATOM 968 O GLN A 63 -6.565 -7.122 -5.213 1.00 0.00 O ATOM 969 CB GLN A 63 -8.861 -6.962 -2.943 1.00 0.00 C ATOM 970 CG GLN A 63 -9.544 -7.811 -4.018 1.00 0.00 C ATOM 971 CD GLN A 63 -10.697 -7.044 -4.670 1.00 0.00 C ATOM 972 OE1 GLN A 63 -11.410 -6.285 -4.035 1.00 0.00 O ATOM 973 NE2 GLN A 63 -10.838 -7.284 -5.971 1.00 0.00 N ATOM 0 H GLN A 63 -7.416 -6.456 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.177 -8.266 -3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.270 -7.211 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.073 -5.907 -3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.817 -8.097 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.920 -8.733 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.206 -7.932 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -11.578 -6.820 -6.498 1.00 0.00 H new ATOM 982 N VAL A 64 -6.291 -5.270 -3.944 1.00 0.00 N ATOM 983 CA VAL A 64 -5.651 -4.505 -5.000 1.00 0.00 C ATOM 984 C VAL A 64 -4.186 -4.930 -5.115 1.00 0.00 C ATOM 985 O VAL A 64 -3.696 -5.193 -6.212 1.00 0.00 O ATOM 986 CB VAL A 64 -5.821 -3.007 -4.739 1.00 0.00 C ATOM 987 CG1 VAL A 64 -4.674 -2.209 -5.363 1.00 0.00 C ATOM 988 CG2 VAL A 64 -7.175 -2.512 -5.248 1.00 0.00 C ATOM 0 H VAL A 64 -6.397 -4.771 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.125 -4.709 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.791 -2.849 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.819 -1.147 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.727 -2.534 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.658 -2.377 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.270 -1.444 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.248 -2.690 -6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.974 -3.048 -4.736 1.00 0.00 H new ATOM 998 N LEU A 65 -3.526 -4.983 -3.967 1.00 0.00 N ATOM 999 CA LEU A 65 -2.127 -5.372 -3.925 1.00 0.00 C ATOM 1000 C LEU A 65 -1.961 -6.739 -4.591 1.00 0.00 C ATOM 1001 O LEU A 65 -0.864 -7.098 -5.015 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.599 -5.318 -2.490 1.00 0.00 C ATOM 1003 CG LEU A 65 -0.080 -5.411 -2.330 1.00 0.00 C ATOM 1004 CD1 LEU A 65 0.432 -6.789 -2.753 1.00 0.00 C ATOM 1005 CD2 LEU A 65 0.621 -4.282 -3.087 1.00 0.00 C ATOM 0 H LEU A 65 -3.935 -4.763 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.518 -4.667 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.936 -4.387 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.054 -6.132 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 65 0.161 -5.288 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.514 -6.829 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.032 -7.556 -2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.179 -6.966 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.699 -4.371 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.377 -4.348 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.287 -3.320 -2.697 1.00 0.00 H new ATOM 1017 N LYS A 66 -3.067 -7.465 -4.662 1.00 0.00 N ATOM 1018 CA LYS A 66 -3.058 -8.785 -5.269 1.00 0.00 C ATOM 1019 C LYS A 66 -3.195 -8.645 -6.786 1.00 0.00 C ATOM 1020 O LYS A 66 -2.234 -8.865 -7.522 1.00 0.00 O ATOM 1021 CB LYS A 66 -4.130 -9.674 -4.634 1.00 0.00 C ATOM 1022 CG LYS A 66 -4.412 -10.900 -5.505 1.00 0.00 C ATOM 1023 CD LYS A 66 -5.036 -12.027 -4.680 1.00 0.00 C ATOM 1024 CE LYS A 66 -6.498 -12.248 -5.072 1.00 0.00 C ATOM 1025 NZ LYS A 66 -6.621 -13.407 -5.984 1.00 0.00 N ATOM 0 H LYS A 66 -3.975 -7.164 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.108 -9.285 -5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.803 -9.994 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.048 -9.102 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.083 -10.626 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.485 -11.248 -5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.472 -12.948 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.973 -11.784 -3.619 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.099 -12.416 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.890 -11.354 -5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -7.620 -13.543 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.064 -13.232 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.266 -14.262 -5.509 1.00 0.00 H new ATOM 1039 N VAL A 67 -4.396 -8.280 -7.209 1.00 0.00 N ATOM 1040 CA VAL A 67 -4.670 -8.108 -8.625 1.00 0.00 C ATOM 1041 C VAL A 67 -3.579 -7.236 -9.249 1.00 0.00 C ATOM 1042 O VAL A 67 -3.066 -7.550 -10.322 1.00 0.00 O ATOM 1043 CB VAL A 67 -6.077 -7.538 -8.821 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.142 -8.544 -8.381 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -6.237 -6.209 -8.079 1.00 0.00 C ATOM 0 H VAL A 67 -5.191 -8.099 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.650 -9.070 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.217 -7.347 -9.885 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.132 -8.114 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.049 -9.455 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.005 -8.781 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.245 -5.825 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.068 -6.365 -7.013 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.512 -5.490 -8.460 1.00 0.00 H new ATOM 1055 N TRP A 68 -3.258 -6.157 -8.551 1.00 0.00 N ATOM 1056 CA TRP A 68 -2.237 -5.236 -9.023 1.00 0.00 C ATOM 1057 C TRP A 68 -1.110 -6.061 -9.649 1.00 0.00 C ATOM 1058 O TRP A 68 -0.842 -5.946 -10.844 1.00 0.00 O ATOM 1059 CB TRP A 68 -1.755 -4.325 -7.893 1.00 0.00 C ATOM 1060 CG TRP A 68 -0.675 -3.327 -8.316 1.00 0.00 C ATOM 1061 CD1 TRP A 68 -0.837 -2.069 -8.745 1.00 0.00 C ATOM 1062 CD2 TRP A 68 0.750 -3.558 -8.331 1.00 0.00 C ATOM 1063 NE1 TRP A 68 0.373 -1.473 -9.036 1.00 0.00 N ATOM 1064 CE2 TRP A 68 1.369 -2.407 -8.776 1.00 0.00 C ATOM 1065 CE3 TRP A 68 1.491 -4.700 -7.981 1.00 0.00 C ATOM 1066 CZ2 TRP A 68 2.757 -2.287 -8.912 1.00 0.00 C ATOM 1067 CZ3 TRP A 68 2.877 -4.564 -8.122 1.00 0.00 C ATOM 1068 CH2 TRP A 68 3.516 -3.413 -8.569 1.00 0.00 C ATOM 0 H TRP A 68 -3.687 -5.899 -7.662 1.00 0.00 H new ATOM 0 HA TRP A 68 -2.642 -4.567 -9.782 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.608 -3.775 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -1.367 -4.942 -7.083 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -1.795 -1.582 -8.850 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.511 -0.522 -9.379 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.028 -5.611 -7.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 3.218 -1.375 -9.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.493 -5.413 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 68 4.593 -3.387 -8.651 1.00 0.00 H new ATOM 1079 N LEU A 69 -0.480 -6.873 -8.813 1.00 0.00 N ATOM 1080 CA LEU A 69 0.611 -7.717 -9.269 1.00 0.00 C ATOM 1081 C LEU A 69 0.251 -8.320 -10.628 1.00 0.00 C ATOM 1082 O LEU A 69 1.065 -8.314 -11.550 1.00 0.00 O ATOM 1083 CB LEU A 69 0.963 -8.760 -8.207 1.00 0.00 C ATOM 1084 CG LEU A 69 1.290 -8.216 -6.815 1.00 0.00 C ATOM 1085 CD1 LEU A 69 0.917 -9.228 -5.729 1.00 0.00 C ATOM 1086 CD2 LEU A 69 2.756 -7.791 -6.723 1.00 0.00 C ATOM 0 H LEU A 69 -0.704 -6.964 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 69 1.515 -7.125 -9.412 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.127 -9.454 -8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.819 -9.335 -8.561 1.00 0.00 H new ATOM 0 HG LEU A 69 0.685 -7.325 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.160 -8.816 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.151 -9.439 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.477 -10.151 -5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.962 -7.408 -5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.397 -8.650 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.956 -7.012 -7.458 1.00 0.00 H new