USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 252 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 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.21) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 32 GLN : amide:sc= 0.068 K(o=0.068,f=-1) USER MOD Single : A 33 GLN : amide:sc= -2.61 K(o=-2.6,f=-0.86) USER MOD Single : A 35 SER OG : rot 176:sc= -4.8! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.43! C(o=-1.4!,f=-0.87!) USER MOD Single : A 44 GLN : amide:sc= -8.03! K(o=-8!,f=-0.55) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.66! C(o=-1.7!,f=-1.5!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 4.522 3.456 -0.375 1.00 0.00 N ATOM 393 CA ASN A 23 3.079 3.644 -0.297 1.00 0.00 C ATOM 394 C ASN A 23 2.737 4.646 0.797 1.00 0.00 C ATOM 395 O ASN A 23 1.710 4.533 1.467 1.00 0.00 O ATOM 396 CB ASN A 23 2.386 2.308 -0.028 1.00 0.00 C ATOM 397 CG ASN A 23 2.912 1.193 -0.917 1.00 0.00 C ATOM 398 OD1 ASN A 23 2.789 0.014 -0.586 1.00 0.00 O ATOM 399 ND2 ASN A 23 3.503 1.560 -2.051 1.00 0.00 N ATOM 0 HA ASN A 23 2.725 4.035 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.527 2.033 1.017 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.313 2.420 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.875 0.852 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.584 2.549 -2.287 1.00 0.00 H new ATOM 406 N ARG A 24 3.626 5.610 0.981 1.00 0.00 N ATOM 407 CA ARG A 24 3.463 6.633 2.005 1.00 0.00 C ATOM 408 C ARG A 24 3.541 8.034 1.408 1.00 0.00 C ATOM 409 O ARG A 24 2.755 8.918 1.748 1.00 0.00 O ATOM 410 CB ARG A 24 4.566 6.448 3.056 1.00 0.00 C ATOM 411 CG ARG A 24 5.285 7.730 3.461 1.00 0.00 C ATOM 412 CD ARG A 24 4.354 8.692 4.181 1.00 0.00 C ATOM 413 NE ARG A 24 4.809 8.979 5.540 1.00 0.00 N ATOM 414 CZ ARG A 24 5.787 9.836 5.829 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.413 10.490 4.859 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.138 10.037 7.092 1.00 0.00 N ATOM 0 H ARG A 24 4.478 5.706 0.428 1.00 0.00 H new ATOM 0 HA ARG A 24 2.479 6.526 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.128 5.997 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.301 5.742 2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.128 7.486 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.694 8.214 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.287 9.622 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.351 8.268 4.216 1.00 0.00 H new ATOM 0 HE ARG A 24 4.351 8.495 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.146 10.338 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.161 11.145 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.659 9.536 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.887 10.693 7.315 1.00 0.00 H new ATOM 430 N TYR A 25 4.518 8.223 0.539 1.00 0.00 N ATOM 431 CA TYR A 25 4.752 9.513 -0.101 1.00 0.00 C ATOM 432 C TYR A 25 3.931 9.649 -1.384 1.00 0.00 C ATOM 433 O TYR A 25 3.478 10.739 -1.731 1.00 0.00 O ATOM 434 CB TYR A 25 6.235 9.652 -0.435 1.00 0.00 C ATOM 435 CG TYR A 25 6.583 8.899 -1.686 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.462 7.520 -1.725 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.965 9.564 -2.837 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.720 6.820 -2.876 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.222 8.874 -4.001 1.00 0.00 C ATOM 440 CZ TYR A 25 7.098 7.498 -4.018 1.00 0.00 C ATOM 441 OH TYR A 25 7.353 6.801 -5.177 1.00 0.00 O ATOM 0 H TYR A 25 5.171 7.493 0.255 1.00 0.00 H new ATOM 0 HA TYR A 25 4.446 10.299 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.485 10.706 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.834 9.279 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.160 6.987 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.063 10.639 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.628 5.744 -2.889 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.518 9.405 -4.894 1.00 0.00 H new ATOM 0 HH TYR A 25 7.606 7.428 -5.887 1.00 0.00 H new ATOM 451 N LEU A 26 3.746 8.528 -2.086 1.00 0.00 N ATOM 452 CA LEU A 26 2.984 8.511 -3.334 1.00 0.00 C ATOM 453 C LEU A 26 1.584 9.087 -3.135 1.00 0.00 C ATOM 454 O LEU A 26 0.848 9.311 -4.095 1.00 0.00 O ATOM 455 CB LEU A 26 2.889 7.082 -3.879 1.00 0.00 C ATOM 456 CG LEU A 26 1.896 6.172 -3.153 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.021 4.740 -3.649 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.117 6.240 -1.650 1.00 0.00 C ATOM 0 H LEU A 26 4.115 7.619 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 26 3.510 9.136 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.611 7.130 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.878 6.626 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 26 0.886 6.520 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.307 4.108 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.814 4.706 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.032 4.378 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.403 5.587 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.131 5.916 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.975 7.265 -1.307 1.00 0.00 H new ATOM 470 N THR A 27 1.230 9.323 -1.879 1.00 0.00 N ATOM 471 CA THR A 27 -0.064 9.872 -1.523 1.00 0.00 C ATOM 472 C THR A 27 0.011 11.399 -1.455 1.00 0.00 C ATOM 473 O THR A 27 -0.911 12.060 -0.976 1.00 0.00 O ATOM 474 CB THR A 27 -0.506 9.282 -0.178 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.244 10.182 0.886 1.00 0.00 O ATOM 476 CG2 THR A 27 0.190 7.972 0.144 1.00 0.00 C ATOM 0 H THR A 27 1.836 9.138 -1.079 1.00 0.00 H new ATOM 0 HA THR A 27 -0.799 9.608 -2.283 1.00 0.00 H new ATOM 0 HB THR A 27 -1.577 9.102 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.536 9.783 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.161 7.600 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.035 7.240 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.267 8.134 0.188 1.00 0.00 H new ATOM 484 N GLU A 28 1.123 11.946 -1.947 1.00 0.00 N ATOM 485 CA GLU A 28 1.346 13.385 -1.959 1.00 0.00 C ATOM 486 C GLU A 28 2.359 13.754 -3.045 1.00 0.00 C ATOM 487 O GLU A 28 2.180 14.731 -3.770 1.00 0.00 O ATOM 488 CB GLU A 28 1.840 13.861 -0.590 1.00 0.00 C ATOM 489 CG GLU A 28 0.929 14.889 0.062 1.00 0.00 C ATOM 490 CD GLU A 28 1.607 16.232 0.252 1.00 0.00 C ATOM 491 OE1 GLU A 28 2.326 16.671 -0.671 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.419 16.846 1.323 1.00 0.00 O ATOM 0 H GLU A 28 1.889 11.404 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 28 0.400 13.881 -2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.935 13.000 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.836 14.289 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.037 15.020 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.598 14.513 1.030 1.00 0.00 H new ATOM 499 N ARG A 29 3.417 12.952 -3.151 1.00 0.00 N ATOM 500 CA ARG A 29 4.461 13.172 -4.148 1.00 0.00 C ATOM 501 C ARG A 29 4.016 12.649 -5.510 1.00 0.00 C ATOM 502 O ARG A 29 4.005 13.383 -6.498 1.00 0.00 O ATOM 503 CB ARG A 29 5.757 12.480 -3.718 1.00 0.00 C ATOM 504 CG ARG A 29 6.916 13.439 -3.499 1.00 0.00 C ATOM 505 CD ARG A 29 6.744 14.239 -2.218 1.00 0.00 C ATOM 506 NE ARG A 29 7.537 13.691 -1.120 1.00 0.00 N ATOM 507 CZ ARG A 29 7.375 14.037 0.156 1.00 0.00 C ATOM 508 NH1 ARG A 29 6.452 14.927 0.498 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.139 13.492 1.092 1.00 0.00 N ATOM 0 H ARG A 29 3.573 12.140 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 29 4.642 14.244 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.575 11.927 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.039 11.751 -4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.850 12.879 -3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.991 14.120 -4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.036 15.274 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.691 14.249 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 29 8.257 13.003 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.862 15.350 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.333 15.188 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.851 12.808 0.835 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.015 13.757 2.069 1.00 0.00 H new ATOM 523 N ARG A 30 3.644 11.376 -5.544 1.00 0.00 N ATOM 524 CA ARG A 30 3.186 10.739 -6.773 1.00 0.00 C ATOM 525 C ARG A 30 1.677 10.907 -6.939 1.00 0.00 C ATOM 526 O ARG A 30 1.148 10.794 -8.043 1.00 0.00 O ATOM 527 CB ARG A 30 3.551 9.253 -6.761 1.00 0.00 C ATOM 528 CG ARG A 30 3.157 8.516 -8.031 1.00 0.00 C ATOM 529 CD ARG A 30 2.368 7.254 -7.723 1.00 0.00 C ATOM 530 NE ARG A 30 2.461 6.273 -8.803 1.00 0.00 N ATOM 531 CZ ARG A 30 3.393 5.324 -8.871 1.00 0.00 C ATOM 532 NH1 ARG A 30 4.328 5.228 -7.932 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.394 4.470 -9.886 1.00 0.00 N ATOM 0 H ARG A 30 3.651 10.761 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 30 3.681 11.221 -7.616 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.626 9.153 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.066 8.776 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.561 9.173 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.053 8.257 -8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.738 6.811 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.322 7.512 -7.556 1.00 0.00 H new ATOM 0 HE ARG A 30 1.769 6.318 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.336 5.884 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.038 4.498 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.682 4.541 -10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.107 3.743 -9.940 1.00 0.00 H new ATOM 547 N ARG A 31 0.991 11.181 -5.831 1.00 0.00 N ATOM 548 CA ARG A 31 -0.454 11.369 -5.849 1.00 0.00 C ATOM 549 C ARG A 31 -0.834 12.521 -6.769 1.00 0.00 C ATOM 550 O ARG A 31 -1.785 12.426 -7.545 1.00 0.00 O ATOM 551 CB ARG A 31 -0.967 11.640 -4.431 1.00 0.00 C ATOM 552 CG ARG A 31 -2.442 12.007 -4.368 1.00 0.00 C ATOM 553 CD ARG A 31 -3.073 11.557 -3.059 1.00 0.00 C ATOM 554 NE ARG A 31 -3.683 12.669 -2.335 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.322 12.537 -1.175 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.434 11.343 -0.604 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.850 13.599 -0.582 1.00 0.00 N ATOM 0 H ARG A 31 1.416 11.277 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.916 10.457 -6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.797 10.755 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.383 12.449 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.554 13.086 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.969 11.547 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.829 10.799 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.314 11.089 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.615 13.602 -2.742 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.029 10.522 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.925 11.247 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.767 14.519 -1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.339 13.496 0.307 1.00 0.00 H new ATOM 571 N GLN A 32 -0.084 13.611 -6.672 1.00 0.00 N ATOM 572 CA GLN A 32 -0.339 14.788 -7.492 1.00 0.00 C ATOM 573 C GLN A 32 -0.116 14.482 -8.969 1.00 0.00 C ATOM 574 O GLN A 32 -0.741 15.089 -9.838 1.00 0.00 O ATOM 575 CB GLN A 32 0.563 15.944 -7.055 1.00 0.00 C ATOM 576 CG GLN A 32 2.022 15.549 -6.896 1.00 0.00 C ATOM 577 CD GLN A 32 2.966 16.492 -7.617 1.00 0.00 C ATOM 578 OE1 GLN A 32 2.664 17.671 -7.799 1.00 0.00 O ATOM 579 NE2 GLN A 32 4.116 15.975 -8.033 1.00 0.00 N ATOM 0 H GLN A 32 0.706 13.705 -6.034 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.381 15.077 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.490 16.748 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.197 16.342 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.275 15.528 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.164 14.538 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.325 14.992 -7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.790 16.561 -8.525 1.00 0.00 H new ATOM 588 N GLN A 33 0.778 13.538 -9.250 1.00 0.00 N ATOM 589 CA GLN A 33 1.072 13.163 -10.627 1.00 0.00 C ATOM 590 C GLN A 33 -0.017 12.254 -11.184 1.00 0.00 C ATOM 591 O GLN A 33 -0.432 12.406 -12.333 1.00 0.00 O ATOM 592 CB GLN A 33 2.461 12.506 -10.725 1.00 0.00 C ATOM 593 CG GLN A 33 2.443 10.985 -10.822 1.00 0.00 C ATOM 594 CD GLN A 33 2.256 10.495 -12.245 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.073 10.776 -13.123 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.178 9.756 -12.481 1.00 0.00 N ATOM 0 H GLN A 33 1.307 13.023 -8.547 1.00 0.00 H new ATOM 0 HA GLN A 33 1.089 14.067 -11.236 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.976 12.906 -11.599 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.046 12.793 -9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.377 10.588 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.639 10.594 -10.198 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.527 9.547 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.001 9.397 -13.419 1.00 0.00 H new ATOM 605 N LEU A 34 -0.504 11.330 -10.362 1.00 0.00 N ATOM 606 CA LEU A 34 -1.568 10.442 -10.792 1.00 0.00 C ATOM 607 C LEU A 34 -2.847 11.246 -10.918 1.00 0.00 C ATOM 608 O LEU A 34 -3.434 11.328 -11.992 1.00 0.00 O ATOM 609 CB LEU A 34 -1.766 9.299 -9.806 1.00 0.00 C ATOM 610 CG LEU A 34 -0.895 8.064 -10.028 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.836 7.240 -8.754 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.440 7.229 -11.177 1.00 0.00 C ATOM 0 H LEU A 34 -0.181 11.180 -9.406 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.299 10.005 -11.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.577 9.676 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.811 8.993 -9.841 1.00 0.00 H new ATOM 0 HG LEU A 34 0.114 8.385 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.214 6.360 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.410 7.841 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.842 6.926 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.808 6.353 -11.322 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.456 6.909 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.447 7.826 -12.089 1.00 0.00 H new ATOM 624 N SER A 35 -3.260 11.857 -9.808 1.00 0.00 N ATOM 625 CA SER A 35 -4.455 12.683 -9.781 1.00 0.00 C ATOM 626 C SER A 35 -4.581 13.524 -11.054 1.00 0.00 C ATOM 627 O SER A 35 -5.688 13.800 -11.518 1.00 0.00 O ATOM 628 CB SER A 35 -4.419 13.606 -8.563 1.00 0.00 C ATOM 629 OG SER A 35 -5.726 13.991 -8.172 1.00 0.00 O ATOM 0 H SER A 35 -2.777 11.791 -8.912 1.00 0.00 H new ATOM 0 HA SER A 35 -5.319 12.021 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.923 13.100 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.829 14.493 -8.793 1.00 0.00 H new ATOM 0 HG SER A 35 -5.678 14.527 -7.353 1.00 0.00 H new ATOM 635 N SER A 36 -3.439 13.934 -11.607 1.00 0.00 N ATOM 636 CA SER A 36 -3.427 14.751 -12.817 1.00 0.00 C ATOM 637 C SER A 36 -3.685 13.908 -14.065 1.00 0.00 C ATOM 638 O SER A 36 -4.367 14.350 -14.990 1.00 0.00 O ATOM 639 CB SER A 36 -2.087 15.478 -12.950 1.00 0.00 C ATOM 640 OG SER A 36 -2.269 16.792 -13.449 1.00 0.00 O ATOM 0 H SER A 36 -2.514 13.714 -11.237 1.00 0.00 H new ATOM 0 HA SER A 36 -4.230 15.483 -12.731 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.594 15.519 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.431 14.919 -13.617 1.00 0.00 H new ATOM 0 HG SER A 36 -1.399 17.237 -13.524 1.00 0.00 H new ATOM 646 N GLU A 37 -3.133 12.698 -14.092 1.00 0.00 N ATOM 647 CA GLU A 37 -3.306 11.806 -15.235 1.00 0.00 C ATOM 648 C GLU A 37 -4.555 10.937 -15.084 1.00 0.00 C ATOM 649 O GLU A 37 -5.053 10.379 -16.062 1.00 0.00 O ATOM 650 CB GLU A 37 -2.073 10.917 -15.404 1.00 0.00 C ATOM 651 CG GLU A 37 -0.768 11.693 -15.474 1.00 0.00 C ATOM 652 CD GLU A 37 0.226 11.076 -16.441 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.923 10.119 -16.044 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.305 11.550 -17.593 1.00 0.00 O ATOM 0 H GLU A 37 -2.564 12.313 -13.338 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.430 12.426 -16.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.024 10.215 -14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.184 10.326 -16.313 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.975 12.719 -15.777 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.323 11.738 -14.480 1.00 0.00 H new ATOM 661 N LEU A 38 -5.051 10.818 -13.858 1.00 0.00 N ATOM 662 CA LEU A 38 -6.235 10.012 -13.584 1.00 0.00 C ATOM 663 C LEU A 38 -7.519 10.831 -13.723 1.00 0.00 C ATOM 664 O LEU A 38 -8.619 10.306 -13.551 1.00 0.00 O ATOM 665 CB LEU A 38 -6.140 9.401 -12.184 1.00 0.00 C ATOM 666 CG LEU A 38 -5.382 8.075 -12.093 1.00 0.00 C ATOM 667 CD1 LEU A 38 -6.004 7.034 -13.008 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.912 8.277 -12.420 1.00 0.00 C ATOM 0 H LEU A 38 -4.651 11.270 -13.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.275 9.212 -14.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.657 10.122 -11.524 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.150 9.249 -11.804 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.455 7.708 -11.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.449 6.100 -12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.041 6.866 -12.717 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.969 7.388 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.389 7.323 -12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.815 8.671 -13.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.476 8.983 -11.713 1.00 0.00 H new ATOM 680 N GLY A 39 -7.379 12.120 -14.040 1.00 0.00 N ATOM 681 CA GLY A 39 -8.542 12.980 -14.202 1.00 0.00 C ATOM 682 C GLY A 39 -9.524 12.867 -13.051 1.00 0.00 C ATOM 683 O GLY A 39 -10.622 12.335 -13.212 1.00 0.00 O ATOM 0 H GLY A 39 -6.482 12.582 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.213 14.015 -14.292 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.049 12.725 -15.132 1.00 0.00 H new ATOM 687 N LEU A 40 -9.123 13.360 -11.884 1.00 0.00 N ATOM 688 CA LEU A 40 -9.969 13.302 -10.697 1.00 0.00 C ATOM 689 C LEU A 40 -9.631 14.413 -9.710 1.00 0.00 C ATOM 690 O LEU A 40 -9.191 15.497 -10.092 1.00 0.00 O ATOM 691 CB LEU A 40 -9.825 11.939 -10.030 1.00 0.00 C ATOM 692 CG LEU A 40 -8.458 11.694 -9.408 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.532 10.684 -8.289 1.00 0.00 C ATOM 694 CD2 LEU A 40 -7.512 11.208 -10.462 1.00 0.00 C ATOM 0 H LEU A 40 -8.217 13.804 -11.735 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.003 13.447 -11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.587 11.842 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.021 11.162 -10.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.101 12.635 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.538 10.534 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.203 11.050 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.908 9.738 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.532 11.032 -10.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.889 10.279 -10.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.425 11.959 -11.247 1.00 0.00 H new ATOM 706 N ASN A 41 -9.863 14.125 -8.440 1.00 0.00 N ATOM 707 CA ASN A 41 -9.614 15.078 -7.366 1.00 0.00 C ATOM 708 C ASN A 41 -8.920 14.416 -6.171 1.00 0.00 C ATOM 709 O ASN A 41 -7.692 14.394 -6.097 1.00 0.00 O ATOM 710 CB ASN A 41 -10.931 15.745 -6.943 1.00 0.00 C ATOM 711 CG ASN A 41 -10.840 16.446 -5.599 1.00 0.00 C ATOM 712 OD1 ASN A 41 -10.095 17.411 -5.437 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.601 15.956 -4.627 1.00 0.00 N ATOM 0 H ASN A 41 -10.228 13.227 -8.123 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.936 15.845 -7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.226 16.468 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.716 14.990 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.582 16.382 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.204 15.153 -4.807 1.00 0.00 H new ATOM 720 N GLU A 42 -9.704 13.894 -5.231 1.00 0.00 N ATOM 721 CA GLU A 42 -9.140 13.258 -4.045 1.00 0.00 C ATOM 722 C GLU A 42 -9.869 11.963 -3.704 1.00 0.00 C ATOM 723 O GLU A 42 -9.242 10.940 -3.432 1.00 0.00 O ATOM 724 CB GLU A 42 -9.202 14.217 -2.854 1.00 0.00 C ATOM 725 CG GLU A 42 -7.946 14.205 -1.997 1.00 0.00 C ATOM 726 CD GLU A 42 -7.700 15.533 -1.306 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.493 16.541 -2.014 1.00 0.00 O ATOM 728 OE2 GLU A 42 -7.717 15.564 -0.058 1.00 0.00 O ATOM 0 H GLU A 42 -10.723 13.899 -5.267 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.100 13.013 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.371 15.229 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.059 13.956 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.030 13.419 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.087 13.959 -2.621 1.00 0.00 H new ATOM 735 N ALA A 43 -11.195 12.016 -3.710 1.00 0.00 N ATOM 736 CA ALA A 43 -12.004 10.845 -3.391 1.00 0.00 C ATOM 737 C ALA A 43 -11.831 9.745 -4.424 1.00 0.00 C ATOM 738 O ALA A 43 -12.128 8.581 -4.157 1.00 0.00 O ATOM 739 CB ALA A 43 -13.469 11.216 -3.294 1.00 0.00 C ATOM 0 H ALA A 43 -11.732 12.854 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.659 10.471 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.054 10.328 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.604 11.961 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.804 11.626 -4.247 1.00 0.00 H new ATOM 745 N GLN A 44 -11.348 10.110 -5.603 1.00 0.00 N ATOM 746 CA GLN A 44 -11.142 9.129 -6.655 1.00 0.00 C ATOM 747 C GLN A 44 -9.699 8.644 -6.643 1.00 0.00 C ATOM 748 O GLN A 44 -9.384 7.583 -7.176 1.00 0.00 O ATOM 749 CB GLN A 44 -11.531 9.691 -8.026 1.00 0.00 C ATOM 750 CG GLN A 44 -12.930 10.292 -8.067 1.00 0.00 C ATOM 751 CD GLN A 44 -13.046 11.615 -7.326 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.147 12.047 -6.986 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.916 12.270 -7.069 1.00 0.00 N ATOM 0 H GLN A 44 -11.095 11.066 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.793 8.276 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.809 10.455 -8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.465 8.894 -8.767 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.222 10.440 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.635 9.581 -7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.022 11.880 -7.367 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.945 13.162 -6.574 1.00 0.00 H new ATOM 762 N ILE A 45 -8.815 9.409 -6.006 1.00 0.00 N ATOM 763 CA ILE A 45 -7.427 9.016 -5.901 1.00 0.00 C ATOM 764 C ILE A 45 -7.359 7.635 -5.294 1.00 0.00 C ATOM 765 O ILE A 45 -6.685 6.741 -5.806 1.00 0.00 O ATOM 766 CB ILE A 45 -6.641 9.997 -5.015 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.760 11.422 -5.553 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.187 9.575 -4.922 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.823 11.701 -6.697 1.00 0.00 C ATOM 0 H ILE A 45 -9.041 10.298 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.983 9.021 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.068 9.978 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.785 11.596 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.559 12.127 -4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.643 10.279 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.125 8.577 -4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.746 9.566 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.956 12.729 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.794 11.557 -6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.039 11.019 -7.519 1.00 0.00 H new ATOM 781 N LYS A 46 -8.103 7.463 -4.214 1.00 0.00 N ATOM 782 CA LYS A 46 -8.171 6.187 -3.547 1.00 0.00 C ATOM 783 C LYS A 46 -8.897 5.180 -4.432 1.00 0.00 C ATOM 784 O LYS A 46 -8.903 3.985 -4.146 1.00 0.00 O ATOM 785 CB LYS A 46 -8.887 6.323 -2.203 1.00 0.00 C ATOM 786 CG LYS A 46 -8.248 7.343 -1.275 1.00 0.00 C ATOM 787 CD LYS A 46 -9.005 8.663 -1.292 1.00 0.00 C ATOM 788 CE LYS A 46 -9.933 8.787 -0.094 1.00 0.00 C ATOM 789 NZ LYS A 46 -10.018 10.188 0.401 1.00 0.00 N ATOM 0 H LYS A 46 -8.667 8.197 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.157 5.833 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.925 6.605 -2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.901 5.352 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.225 6.948 -0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.214 7.512 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.296 9.491 -1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.584 8.740 -2.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.929 8.438 -0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.578 8.140 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.660 10.229 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.072 10.513 0.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.381 10.802 -0.356 1.00 0.00 H new ATOM 803 N ILE A 47 -9.518 5.668 -5.515 1.00 0.00 N ATOM 804 CA ILE A 47 -10.244 4.791 -6.421 1.00 0.00 C ATOM 805 C ILE A 47 -9.291 3.958 -7.271 1.00 0.00 C ATOM 806 O ILE A 47 -9.608 2.819 -7.618 1.00 0.00 O ATOM 807 CB ILE A 47 -11.224 5.587 -7.324 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.654 5.454 -6.798 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.150 5.136 -8.779 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.911 6.253 -5.539 1.00 0.00 C ATOM 0 H ILE A 47 -9.528 6.654 -5.776 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.832 4.111 -5.804 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.926 6.635 -7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.349 5.778 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.864 4.403 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.851 5.718 -9.377 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.139 5.288 -9.156 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.407 4.079 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.945 6.112 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.240 5.914 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.733 7.310 -5.736 1.00 0.00 H new ATOM 822 N TRP A 48 -8.124 4.504 -7.607 1.00 0.00 N ATOM 823 CA TRP A 48 -7.174 3.741 -8.411 1.00 0.00 C ATOM 824 C TRP A 48 -6.558 2.615 -7.587 1.00 0.00 C ATOM 825 O TRP A 48 -6.581 1.450 -7.986 1.00 0.00 O ATOM 826 CB TRP A 48 -6.040 4.601 -8.971 1.00 0.00 C ATOM 827 CG TRP A 48 -6.297 6.068 -9.044 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.397 6.706 -9.531 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.391 7.082 -8.635 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.223 8.064 -9.452 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.994 8.318 -8.901 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.122 7.057 -8.066 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.362 9.521 -8.617 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.500 8.252 -7.782 1.00 0.00 C ATOM 835 CH2 TRP A 48 -4.119 9.469 -8.058 1.00 0.00 C ATOM 0 H TRP A 48 -7.820 5.442 -7.345 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.745 3.340 -9.248 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.153 4.439 -8.358 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.804 4.245 -9.974 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.276 6.215 -9.922 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.897 8.768 -9.753 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.634 6.118 -7.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.839 10.466 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.516 8.246 -7.338 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.605 10.389 -7.825 1.00 0.00 H new ATOM 846 N PHE A 49 -5.986 2.980 -6.444 1.00 0.00 N ATOM 847 CA PHE A 49 -5.334 2.012 -5.567 1.00 0.00 C ATOM 848 C PHE A 49 -6.327 0.996 -5.013 1.00 0.00 C ATOM 849 O PHE A 49 -6.006 -0.188 -4.900 1.00 0.00 O ATOM 850 CB PHE A 49 -4.613 2.716 -4.413 1.00 0.00 C ATOM 851 CG PHE A 49 -4.070 4.069 -4.767 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.885 4.198 -5.473 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.747 5.214 -4.395 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.392 5.446 -5.797 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.261 6.454 -4.711 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.084 6.579 -5.413 1.00 0.00 C ATOM 0 H PHE A 49 -5.960 3.941 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.600 1.478 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.304 2.821 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.793 2.085 -4.072 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.342 3.314 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.674 5.130 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.468 5.537 -6.349 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.803 7.338 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.703 7.558 -5.663 1.00 0.00 H new ATOM 866 N GLN A 50 -7.532 1.446 -4.666 1.00 0.00 N ATOM 867 CA GLN A 50 -8.537 0.532 -4.129 1.00 0.00 C ATOM 868 C GLN A 50 -8.834 -0.578 -5.133 1.00 0.00 C ATOM 869 O GLN A 50 -9.258 -1.673 -4.759 1.00 0.00 O ATOM 870 CB GLN A 50 -9.824 1.277 -3.762 1.00 0.00 C ATOM 871 CG GLN A 50 -10.653 1.704 -4.961 1.00 0.00 C ATOM 872 CD GLN A 50 -11.972 2.337 -4.561 1.00 0.00 C ATOM 873 OE1 GLN A 50 -13.042 1.873 -4.955 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.901 3.404 -3.773 1.00 0.00 N ATOM 0 H GLN A 50 -7.832 2.418 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.135 0.087 -3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.432 0.638 -3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.566 2.161 -3.178 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.081 2.412 -5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.847 0.837 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.992 3.755 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.755 3.872 -3.471 1.00 0.00 H new ATOM 883 N ASN A 51 -8.595 -0.288 -6.408 1.00 0.00 N ATOM 884 CA ASN A 51 -8.820 -1.260 -7.469 1.00 0.00 C ATOM 885 C ASN A 51 -7.555 -2.074 -7.724 1.00 0.00 C ATOM 886 O ASN A 51 -7.623 -3.238 -8.117 1.00 0.00 O ATOM 887 CB ASN A 51 -9.261 -0.554 -8.754 1.00 0.00 C ATOM 888 CG ASN A 51 -10.681 -0.909 -9.151 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.039 -2.084 -9.231 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.498 0.107 -9.400 1.00 0.00 N ATOM 0 H ASN A 51 -8.245 0.614 -6.731 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.613 -1.938 -7.152 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.184 0.525 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.582 -0.822 -9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.465 -0.071 -9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.158 1.066 -9.321 1.00 0.00 H new