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= -1.55! K(o=-1.5!,f=-0.77) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -99:sc= 0.355 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 44 GLN : amide:sc= -8.9! C(o=-8.9!,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.4) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 3.334 1.655 -2.962 1.00 0.00 N ATOM 393 CA ASN A 23 1.967 2.092 -2.676 1.00 0.00 C ATOM 394 C ASN A 23 1.899 2.750 -1.300 1.00 0.00 C ATOM 395 O ASN A 23 0.882 2.666 -0.611 1.00 0.00 O ATOM 396 CB ASN A 23 0.976 0.918 -2.722 1.00 0.00 C ATOM 397 CG ASN A 23 1.527 -0.323 -3.405 1.00 0.00 C ATOM 398 OD1 ASN A 23 0.963 -0.807 -4.387 1.00 0.00 O ATOM 399 ND2 ASN A 23 2.632 -0.844 -2.886 1.00 0.00 N ATOM 0 HA ASN A 23 1.688 2.811 -3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.683 0.661 -1.704 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.073 1.237 -3.242 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.047 -1.678 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.066 -0.410 -2.071 1.00 0.00 H new ATOM 406 N ARG A 24 2.991 3.392 -0.902 1.00 0.00 N ATOM 407 CA ARG A 24 3.063 4.052 0.397 1.00 0.00 C ATOM 408 C ARG A 24 3.492 5.506 0.245 1.00 0.00 C ATOM 409 O ARG A 24 2.936 6.403 0.879 1.00 0.00 O ATOM 410 CB ARG A 24 4.054 3.297 1.299 1.00 0.00 C ATOM 411 CG ARG A 24 4.971 4.189 2.127 1.00 0.00 C ATOM 412 CD ARG A 24 4.186 5.050 3.104 1.00 0.00 C ATOM 413 NE ARG A 24 4.788 5.050 4.435 1.00 0.00 N ATOM 414 CZ ARG A 24 5.858 5.770 4.765 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.445 6.549 3.865 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.343 5.710 5.997 1.00 0.00 N ATOM 0 H ARG A 24 3.841 3.470 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 24 2.073 4.040 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.491 2.652 1.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.668 2.647 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.681 3.571 2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.552 4.829 1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.136 6.072 2.728 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.161 4.684 3.169 1.00 0.00 H new ATOM 0 HE ARG A 24 4.364 4.464 5.154 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.077 6.598 2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.265 7.099 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.896 5.112 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.163 6.262 6.250 1.00 0.00 H new ATOM 430 N TYR A 25 4.495 5.721 -0.590 1.00 0.00 N ATOM 431 CA TYR A 25 5.028 7.058 -0.824 1.00 0.00 C ATOM 432 C TYR A 25 4.357 7.715 -2.034 1.00 0.00 C ATOM 433 O TYR A 25 3.964 8.879 -1.976 1.00 0.00 O ATOM 434 CB TYR A 25 6.536 6.981 -1.048 1.00 0.00 C ATOM 435 CG TYR A 25 6.874 6.515 -2.437 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.781 5.175 -2.775 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.230 7.425 -3.418 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.041 4.752 -4.057 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.497 7.012 -4.705 1.00 0.00 C ATOM 440 CZ TYR A 25 7.400 5.672 -5.023 1.00 0.00 C ATOM 441 OH TYR A 25 7.659 5.252 -6.307 1.00 0.00 O ATOM 0 H TYR A 25 4.960 4.985 -1.121 1.00 0.00 H new ATOM 0 HA TYR A 25 4.819 7.668 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.979 7.962 -0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.977 6.300 -0.320 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.501 4.453 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.299 8.474 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.965 3.704 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.780 7.731 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 25 7.896 6.024 -6.862 1.00 0.00 H new ATOM 451 N LEU A 26 4.233 6.960 -3.131 1.00 0.00 N ATOM 452 CA LEU A 26 3.610 7.474 -4.351 1.00 0.00 C ATOM 453 C LEU A 26 2.261 8.089 -4.029 1.00 0.00 C ATOM 454 O LEU A 26 1.795 8.996 -4.710 1.00 0.00 O ATOM 455 CB LEU A 26 3.432 6.358 -5.383 1.00 0.00 C ATOM 456 CG LEU A 26 3.129 4.977 -4.799 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.861 4.400 -5.413 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.308 4.040 -5.016 1.00 0.00 C ATOM 0 H LEU A 26 4.555 5.994 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 26 4.265 8.237 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.623 6.635 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.340 6.291 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 26 2.967 5.083 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.663 3.418 -4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.021 5.063 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.989 4.306 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.077 3.061 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.501 3.939 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.192 4.447 -4.525 1.00 0.00 H new ATOM 470 N THR A 27 1.654 7.594 -2.966 1.00 0.00 N ATOM 471 CA THR A 27 0.367 8.088 -2.511 1.00 0.00 C ATOM 472 C THR A 27 0.467 9.578 -2.182 1.00 0.00 C ATOM 473 O THR A 27 -0.531 10.299 -2.184 1.00 0.00 O ATOM 474 CB THR A 27 -0.086 7.278 -1.294 1.00 0.00 C ATOM 475 OG1 THR A 27 0.424 7.836 -0.095 1.00 0.00 O ATOM 476 CG2 THR A 27 0.359 5.825 -1.355 1.00 0.00 C ATOM 0 H THR A 27 2.038 6.841 -2.395 1.00 0.00 H new ATOM 0 HA THR A 27 -0.376 7.969 -3.300 1.00 0.00 H new ATOM 0 HB THR A 27 -1.175 7.315 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.217 7.335 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.009 5.300 -0.466 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.060 5.353 -2.244 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.447 5.779 -1.399 1.00 0.00 H new ATOM 484 N GLU A 28 1.693 10.029 -1.921 1.00 0.00 N ATOM 485 CA GLU A 28 1.962 11.429 -1.613 1.00 0.00 C ATOM 486 C GLU A 28 3.134 11.954 -2.453 1.00 0.00 C ATOM 487 O GLU A 28 3.534 13.111 -2.321 1.00 0.00 O ATOM 488 CB GLU A 28 2.275 11.593 -0.124 1.00 0.00 C ATOM 489 CG GLU A 28 1.037 11.751 0.745 1.00 0.00 C ATOM 490 CD GLU A 28 1.257 12.704 1.903 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.298 13.929 1.665 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.388 12.224 3.049 1.00 0.00 O ATOM 0 H GLU A 28 2.523 9.436 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 28 1.072 12.009 -1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.840 10.726 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.916 12.464 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.211 12.113 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.742 10.776 1.132 1.00 0.00 H new ATOM 499 N ARG A 29 3.680 11.092 -3.316 1.00 0.00 N ATOM 500 CA ARG A 29 4.804 11.456 -4.176 1.00 0.00 C ATOM 501 C ARG A 29 4.404 11.408 -5.650 1.00 0.00 C ATOM 502 O ARG A 29 4.923 12.164 -6.472 1.00 0.00 O ATOM 503 CB ARG A 29 5.981 10.510 -3.930 1.00 0.00 C ATOM 504 CG ARG A 29 7.206 10.832 -4.768 1.00 0.00 C ATOM 505 CD ARG A 29 8.241 11.607 -3.968 1.00 0.00 C ATOM 506 NE ARG A 29 7.763 12.939 -3.603 1.00 0.00 N ATOM 507 CZ ARG A 29 8.334 13.700 -2.673 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.401 13.268 -2.013 1.00 0.00 N ATOM 509 NH2 ARG A 29 7.836 14.899 -2.401 1.00 0.00 N ATOM 0 H ARG A 29 3.357 10.132 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 29 5.101 12.476 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.253 10.548 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.665 9.488 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.648 9.907 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.909 11.414 -5.640 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.492 11.051 -3.064 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.157 11.697 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 29 6.945 13.306 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.789 12.347 -2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.833 13.857 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.016 15.237 -2.905 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.273 15.483 -1.688 1.00 0.00 H new ATOM 523 N ARG A 30 3.485 10.506 -5.974 1.00 0.00 N ATOM 524 CA ARG A 30 3.014 10.335 -7.345 1.00 0.00 C ATOM 525 C ARG A 30 1.519 10.642 -7.461 1.00 0.00 C ATOM 526 O ARG A 30 1.027 10.978 -8.538 1.00 0.00 O ATOM 527 CB ARG A 30 3.296 8.902 -7.806 1.00 0.00 C ATOM 528 CG ARG A 30 2.755 8.568 -9.188 1.00 0.00 C ATOM 529 CD ARG A 30 2.111 7.190 -9.212 1.00 0.00 C ATOM 530 NE ARG A 30 1.816 6.746 -10.572 1.00 0.00 N ATOM 531 CZ ARG A 30 2.738 6.299 -11.423 1.00 0.00 C ATOM 532 NH1 ARG A 30 4.013 6.241 -11.061 1.00 0.00 N ATOM 533 NH2 ARG A 30 2.384 5.911 -12.640 1.00 0.00 N ATOM 0 H ARG A 30 3.048 9.877 -5.301 1.00 0.00 H new ATOM 0 HA ARG A 30 3.548 11.038 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.373 8.737 -7.802 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.865 8.209 -7.083 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.023 9.319 -9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.565 8.606 -9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.775 6.471 -8.732 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.190 7.210 -8.630 1.00 0.00 H new ATOM 0 HE ARG A 30 0.847 6.780 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.292 6.540 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.714 5.898 -11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.406 5.955 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.090 5.569 -13.292 1.00 0.00 H new ATOM 547 N ARG A 31 0.801 10.526 -6.346 1.00 0.00 N ATOM 548 CA ARG A 31 -0.633 10.790 -6.322 1.00 0.00 C ATOM 549 C ARG A 31 -0.940 12.139 -6.955 1.00 0.00 C ATOM 550 O ARG A 31 -2.004 12.338 -7.540 1.00 0.00 O ATOM 551 CB ARG A 31 -1.154 10.753 -4.886 1.00 0.00 C ATOM 552 CG ARG A 31 -2.663 10.607 -4.788 1.00 0.00 C ATOM 553 CD ARG A 31 -3.117 10.466 -3.343 1.00 0.00 C ATOM 554 NE ARG A 31 -2.918 11.700 -2.586 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.524 11.966 -1.431 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.362 11.086 -0.895 1.00 0.00 N ATOM 557 NH2 ARG A 31 -3.291 13.112 -0.809 1.00 0.00 N ATOM 0 H ARG A 31 1.192 10.250 -5.445 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.135 10.014 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.683 9.924 -4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.852 11.668 -4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.144 11.476 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.983 9.735 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.172 10.192 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.566 9.655 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.278 12.398 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.544 10.201 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.824 11.295 -0.010 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.647 13.791 -1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.755 13.316 0.076 1.00 0.00 H new ATOM 571 N GLN A 32 0.010 13.058 -6.840 1.00 0.00 N ATOM 572 CA GLN A 32 -0.149 14.389 -7.409 1.00 0.00 C ATOM 573 C GLN A 32 0.011 14.340 -8.925 1.00 0.00 C ATOM 574 O GLN A 32 -0.606 15.122 -9.649 1.00 0.00 O ATOM 575 CB GLN A 32 0.869 15.357 -6.801 1.00 0.00 C ATOM 576 CG GLN A 32 0.288 16.246 -5.714 1.00 0.00 C ATOM 577 CD GLN A 32 0.723 15.829 -4.323 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.772 16.250 -3.834 1.00 0.00 O ATOM 579 NE2 GLN A 32 -0.083 14.995 -3.675 1.00 0.00 N ATOM 0 H GLN A 32 0.897 12.906 -6.359 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.151 14.747 -7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.699 14.785 -6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.279 15.985 -7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.593 17.277 -5.892 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.800 16.221 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.943 14.670 -4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.158 14.679 -2.736 1.00 0.00 H new ATOM 588 N GLN A 33 0.837 13.411 -9.400 1.00 0.00 N ATOM 589 CA GLN A 33 1.066 13.260 -10.831 1.00 0.00 C ATOM 590 C GLN A 33 -0.120 12.572 -11.488 1.00 0.00 C ATOM 591 O GLN A 33 -0.517 12.921 -12.600 1.00 0.00 O ATOM 592 CB GLN A 33 2.364 12.482 -11.090 1.00 0.00 C ATOM 593 CG GLN A 33 2.182 10.983 -11.291 1.00 0.00 C ATOM 594 CD GLN A 33 1.991 10.613 -12.751 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.876 10.830 -13.578 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.832 10.052 -13.074 1.00 0.00 N ATOM 0 H GLN A 33 1.356 12.755 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 33 1.172 14.251 -11.273 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.849 12.896 -11.974 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.041 12.642 -10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.052 10.458 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.319 10.645 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.126 9.890 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.648 9.783 -14.040 1.00 0.00 H new ATOM 605 N LEU A 34 -0.697 11.608 -10.783 1.00 0.00 N ATOM 606 CA LEU A 34 -1.852 10.895 -11.289 1.00 0.00 C ATOM 607 C LEU A 34 -3.035 11.839 -11.335 1.00 0.00 C ATOM 608 O LEU A 34 -3.571 12.133 -12.399 1.00 0.00 O ATOM 609 CB LEU A 34 -2.191 9.713 -10.393 1.00 0.00 C ATOM 610 CG LEU A 34 -1.414 8.429 -10.655 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.308 7.622 -9.373 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.097 7.612 -11.743 1.00 0.00 C ATOM 0 H LEU A 34 -0.382 11.305 -9.861 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.625 10.522 -12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.025 10.009 -9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.254 9.498 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.410 8.683 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.752 6.705 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.789 8.209 -8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.307 7.372 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.531 6.697 -11.920 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.108 7.358 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.141 8.195 -12.663 1.00 0.00 H new ATOM 624 N SER A 35 -3.427 12.319 -10.158 1.00 0.00 N ATOM 625 CA SER A 35 -4.541 13.246 -10.035 1.00 0.00 C ATOM 626 C SER A 35 -4.489 14.321 -11.123 1.00 0.00 C ATOM 627 O SER A 35 -5.523 14.833 -11.553 1.00 0.00 O ATOM 628 CB SER A 35 -4.525 13.904 -8.654 1.00 0.00 C ATOM 629 OG SER A 35 -5.553 14.872 -8.538 1.00 0.00 O ATOM 0 H SER A 35 -2.984 12.077 -9.272 1.00 0.00 H new ATOM 0 HA SER A 35 -5.465 12.681 -10.157 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.649 13.143 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.557 14.375 -8.483 1.00 0.00 H new ATOM 0 HG SER A 35 -5.522 15.277 -7.646 1.00 0.00 H new ATOM 635 N SER A 36 -3.276 14.660 -11.561 1.00 0.00 N ATOM 636 CA SER A 36 -3.091 15.673 -12.595 1.00 0.00 C ATOM 637 C SER A 36 -3.364 15.102 -13.985 1.00 0.00 C ATOM 638 O SER A 36 -3.941 15.775 -14.839 1.00 0.00 O ATOM 639 CB SER A 36 -1.670 16.237 -12.533 1.00 0.00 C ATOM 640 OG SER A 36 -1.528 17.357 -13.390 1.00 0.00 O ATOM 0 H SER A 36 -2.410 14.247 -11.215 1.00 0.00 H new ATOM 0 HA SER A 36 -3.806 16.475 -12.410 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.435 16.527 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.956 15.464 -12.818 1.00 0.00 H new ATOM 0 HG SER A 36 -0.612 17.700 -13.331 1.00 0.00 H new ATOM 646 N GLU A 37 -2.944 13.860 -14.207 1.00 0.00 N ATOM 647 CA GLU A 37 -3.145 13.203 -15.496 1.00 0.00 C ATOM 648 C GLU A 37 -4.479 12.458 -15.531 1.00 0.00 C ATOM 649 O GLU A 37 -4.965 12.088 -16.599 1.00 0.00 O ATOM 650 CB GLU A 37 -1.996 12.233 -15.779 1.00 0.00 C ATOM 651 CG GLU A 37 -1.312 12.474 -17.115 1.00 0.00 C ATOM 652 CD GLU A 37 -0.154 13.446 -17.010 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.459 13.524 -15.924 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.140 14.130 -18.013 1.00 0.00 O ATOM 0 H GLU A 37 -2.463 13.288 -13.513 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.163 13.972 -16.268 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.257 12.315 -14.982 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.379 11.213 -15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.950 11.525 -17.510 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.041 12.859 -17.828 1.00 0.00 H new ATOM 661 N LEU A 38 -5.062 12.242 -14.358 1.00 0.00 N ATOM 662 CA LEU A 38 -6.334 11.545 -14.247 1.00 0.00 C ATOM 663 C LEU A 38 -7.497 12.529 -14.346 1.00 0.00 C ATOM 664 O LEU A 38 -8.596 12.164 -14.764 1.00 0.00 O ATOM 665 CB LEU A 38 -6.408 10.792 -12.913 1.00 0.00 C ATOM 666 CG LEU A 38 -5.951 9.332 -12.947 1.00 0.00 C ATOM 667 CD1 LEU A 38 -6.660 8.569 -14.048 1.00 0.00 C ATOM 668 CD2 LEU A 38 -4.442 9.243 -13.108 1.00 0.00 C ATOM 0 H LEU A 38 -4.670 12.542 -13.466 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.407 10.832 -15.068 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.801 11.326 -12.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.438 10.823 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.217 8.871 -11.995 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.318 7.534 -14.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.736 8.595 -13.874 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.437 9.028 -15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.140 8.196 -13.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.146 9.725 -14.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.957 9.744 -12.270 1.00 0.00 H new ATOM 680 N GLY A 39 -7.250 13.775 -13.948 1.00 0.00 N ATOM 681 CA GLY A 39 -8.291 14.786 -13.990 1.00 0.00 C ATOM 682 C GLY A 39 -9.488 14.393 -13.150 1.00 0.00 C ATOM 683 O GLY A 39 -10.573 14.148 -13.677 1.00 0.00 O ATOM 0 H GLY A 39 -6.349 14.101 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.891 15.735 -13.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.606 14.941 -15.022 1.00 0.00 H new ATOM 687 N LEU A 40 -9.285 14.310 -11.838 1.00 0.00 N ATOM 688 CA LEU A 40 -10.352 13.918 -10.927 1.00 0.00 C ATOM 689 C LEU A 40 -10.120 14.467 -9.521 1.00 0.00 C ATOM 690 O LEU A 40 -9.303 15.366 -9.318 1.00 0.00 O ATOM 691 CB LEU A 40 -10.457 12.389 -10.900 1.00 0.00 C ATOM 692 CG LEU A 40 -9.125 11.641 -10.971 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.246 11.965 -9.773 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.377 10.146 -11.045 1.00 0.00 C ATOM 0 H LEU A 40 -8.393 14.509 -11.384 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.290 14.342 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.973 12.093 -9.987 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.079 12.069 -11.736 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.600 11.965 -11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.307 11.418 -9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.042 13.035 -9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.759 11.674 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.424 9.619 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.923 9.825 -10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.965 9.920 -11.935 1.00 0.00 H new ATOM 706 N ASN A 41 -10.850 13.918 -8.558 1.00 0.00 N ATOM 707 CA ASN A 41 -10.741 14.337 -7.165 1.00 0.00 C ATOM 708 C ASN A 41 -10.290 13.163 -6.290 1.00 0.00 C ATOM 709 O ASN A 41 -10.205 12.030 -6.761 1.00 0.00 O ATOM 710 CB ASN A 41 -12.091 14.894 -6.689 1.00 0.00 C ATOM 711 CG ASN A 41 -12.092 15.295 -5.227 1.00 0.00 C ATOM 712 OD1 ASN A 41 -11.414 16.243 -4.831 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.856 14.572 -4.418 1.00 0.00 N ATOM 0 H ASN A 41 -11.530 13.175 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.991 15.123 -7.081 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.353 15.760 -7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.864 14.143 -6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.898 14.794 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.401 13.795 -4.791 1.00 0.00 H new ATOM 720 N GLU A 42 -9.991 13.439 -5.022 1.00 0.00 N ATOM 721 CA GLU A 42 -9.538 12.404 -4.095 1.00 0.00 C ATOM 722 C GLU A 42 -10.507 11.225 -4.057 1.00 0.00 C ATOM 723 O GLU A 42 -10.126 10.110 -3.700 1.00 0.00 O ATOM 724 CB GLU A 42 -9.374 12.990 -2.690 1.00 0.00 C ATOM 725 CG GLU A 42 -7.945 13.391 -2.364 1.00 0.00 C ATOM 726 CD GLU A 42 -7.858 14.295 -1.150 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.901 13.772 -0.016 1.00 0.00 O ATOM 728 OE2 GLU A 42 -7.744 15.526 -1.331 1.00 0.00 O ATOM 0 H GLU A 42 -10.054 14.371 -4.613 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.575 12.038 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.019 13.863 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.714 12.258 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.351 12.494 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.509 13.900 -3.224 1.00 0.00 H new ATOM 735 N ALA A 43 -11.757 11.477 -4.423 1.00 0.00 N ATOM 736 CA ALA A 43 -12.778 10.430 -4.425 1.00 0.00 C ATOM 737 C ALA A 43 -12.541 9.405 -5.530 1.00 0.00 C ATOM 738 O ALA A 43 -13.198 8.365 -5.570 1.00 0.00 O ATOM 739 CB ALA A 43 -14.158 11.036 -4.577 1.00 0.00 C ATOM 0 H ALA A 43 -12.091 12.393 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.711 9.913 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.906 10.243 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.350 11.716 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.213 11.586 -5.517 1.00 0.00 H new ATOM 745 N GLN A 44 -11.604 9.696 -6.423 1.00 0.00 N ATOM 746 CA GLN A 44 -11.286 8.794 -7.520 1.00 0.00 C ATOM 747 C GLN A 44 -9.849 8.321 -7.396 1.00 0.00 C ATOM 748 O GLN A 44 -9.499 7.231 -7.845 1.00 0.00 O ATOM 749 CB GLN A 44 -11.496 9.466 -8.879 1.00 0.00 C ATOM 750 CG GLN A 44 -12.935 9.893 -9.144 1.00 0.00 C ATOM 751 CD GLN A 44 -13.450 10.909 -8.141 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.654 11.001 -7.900 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.544 11.681 -7.551 1.00 0.00 N ATOM 0 H GLN A 44 -11.050 10.552 -6.408 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.961 7.940 -7.460 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.850 10.342 -8.943 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.181 8.779 -9.665 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.004 10.315 -10.147 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.578 9.013 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.556 11.573 -7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.837 12.382 -6.870 1.00 0.00 H new ATOM 762 N ILE A 45 -9.016 9.138 -6.757 1.00 0.00 N ATOM 763 CA ILE A 45 -7.639 8.779 -6.552 1.00 0.00 C ATOM 764 C ILE A 45 -7.578 7.471 -5.803 1.00 0.00 C ATOM 765 O ILE A 45 -7.035 6.477 -6.284 1.00 0.00 O ATOM 766 CB ILE A 45 -6.888 9.834 -5.717 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.136 11.235 -6.249 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.410 9.531 -5.746 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.437 11.460 -7.552 1.00 0.00 C ATOM 0 H ILE A 45 -9.281 10.047 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.168 8.705 -7.532 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.258 9.793 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.207 11.392 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.792 11.968 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.874 10.275 -5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.233 8.540 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.053 9.558 -6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.637 12.473 -7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.363 11.328 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.800 10.743 -8.288 1.00 0.00 H new ATOM 781 N LYS A 46 -8.170 7.487 -4.620 1.00 0.00 N ATOM 782 CA LYS A 46 -8.215 6.307 -3.779 1.00 0.00 C ATOM 783 C LYS A 46 -8.848 5.144 -4.539 1.00 0.00 C ATOM 784 O LYS A 46 -8.590 3.980 -4.242 1.00 0.00 O ATOM 785 CB LYS A 46 -9.001 6.593 -2.497 1.00 0.00 C ATOM 786 CG LYS A 46 -8.179 6.422 -1.230 1.00 0.00 C ATOM 787 CD LYS A 46 -7.422 7.694 -0.881 1.00 0.00 C ATOM 788 CE LYS A 46 -8.343 8.743 -0.281 1.00 0.00 C ATOM 789 NZ LYS A 46 -8.302 8.734 1.207 1.00 0.00 N ATOM 0 H LYS A 46 -8.627 8.307 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.195 6.035 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.386 7.612 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.864 5.928 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.835 6.149 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.473 5.602 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.624 7.462 -0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.948 8.094 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.056 9.729 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.364 8.564 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.944 9.464 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.600 7.801 1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.333 8.930 1.529 1.00 0.00 H new ATOM 803 N ILE A 47 -9.683 5.482 -5.520 1.00 0.00 N ATOM 804 CA ILE A 47 -10.367 4.483 -6.332 1.00 0.00 C ATOM 805 C ILE A 47 -9.382 3.630 -7.128 1.00 0.00 C ATOM 806 O ILE A 47 -9.634 2.447 -7.363 1.00 0.00 O ATOM 807 CB ILE A 47 -11.395 5.159 -7.277 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.800 5.013 -6.702 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.335 4.605 -8.694 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.956 5.700 -5.368 1.00 0.00 C ATOM 0 H ILE A 47 -9.902 6.446 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.901 3.818 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.136 6.216 -7.343 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.521 5.427 -7.406 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.035 3.954 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.074 5.112 -9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.340 4.770 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.548 3.536 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.975 5.564 -5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.256 5.269 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.750 6.764 -5.481 1.00 0.00 H new ATOM 822 N TRP A 48 -8.260 4.216 -7.537 1.00 0.00 N ATOM 823 CA TRP A 48 -7.264 3.466 -8.294 1.00 0.00 C ATOM 824 C TRP A 48 -6.570 2.460 -7.395 1.00 0.00 C ATOM 825 O TRP A 48 -6.658 1.250 -7.596 1.00 0.00 O ATOM 826 CB TRP A 48 -6.196 4.379 -8.891 1.00 0.00 C ATOM 827 CG TRP A 48 -6.678 5.725 -9.329 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.859 6.032 -9.922 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.964 6.947 -9.213 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.914 7.368 -10.205 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.760 7.952 -9.773 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.725 7.281 -8.691 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -6.350 9.272 -9.829 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -4.315 8.592 -8.738 1.00 0.00 C ATOM 835 CH2 TRP A 48 -5.125 9.577 -9.307 1.00 0.00 C ATOM 0 H TRP A 48 -8.020 5.192 -7.361 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.795 2.963 -9.102 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.406 4.517 -8.153 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.748 3.875 -9.748 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.643 5.322 -10.139 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.689 7.848 -10.663 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.091 6.523 -8.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.976 10.034 -10.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.353 8.864 -8.329 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.777 10.599 -9.335 1.00 0.00 H new ATOM 846 N PHE A 49 -5.864 2.990 -6.407 1.00 0.00 N ATOM 847 CA PHE A 49 -5.122 2.159 -5.462 1.00 0.00 C ATOM 848 C PHE A 49 -6.065 1.251 -4.683 1.00 0.00 C ATOM 849 O PHE A 49 -5.659 0.193 -4.201 1.00 0.00 O ATOM 850 CB PHE A 49 -4.292 3.020 -4.500 1.00 0.00 C ATOM 851 CG PHE A 49 -4.041 4.413 -5.005 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.977 4.688 -5.847 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.886 5.442 -4.650 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.767 5.969 -6.323 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.684 6.711 -5.110 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.624 6.987 -5.951 1.00 0.00 C ATOM 0 H PHE A 49 -5.787 3.993 -6.236 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.437 1.535 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.806 3.077 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.335 2.530 -4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.304 3.894 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.722 5.241 -3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.937 6.173 -6.983 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.356 7.503 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.466 7.991 -6.315 1.00 0.00 H new ATOM 866 N GLN A 50 -7.332 1.653 -4.574 1.00 0.00 N ATOM 867 CA GLN A 50 -8.318 0.842 -3.868 1.00 0.00 C ATOM 868 C GLN A 50 -8.382 -0.544 -4.491 1.00 0.00 C ATOM 869 O GLN A 50 -8.680 -1.531 -3.818 1.00 0.00 O ATOM 870 CB GLN A 50 -9.700 1.498 -3.916 1.00 0.00 C ATOM 871 CG GLN A 50 -10.082 2.199 -2.626 1.00 0.00 C ATOM 872 CD GLN A 50 -11.437 2.877 -2.708 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.362 2.367 -3.340 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.560 4.033 -2.068 1.00 0.00 N ATOM 0 H GLN A 50 -7.694 2.524 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.014 0.759 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.723 2.219 -4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.447 0.737 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.092 1.474 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.323 2.942 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.767 4.419 -1.556 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.448 4.535 -2.088 1.00 0.00 H new ATOM 883 N ASN A 51 -8.085 -0.604 -5.784 1.00 0.00 N ATOM 884 CA ASN A 51 -8.090 -1.861 -6.511 1.00 0.00 C ATOM 885 C ASN A 51 -6.724 -2.531 -6.414 1.00 0.00 C ATOM 886 O ASN A 51 -6.616 -3.756 -6.478 1.00 0.00 O ATOM 887 CB ASN A 51 -8.461 -1.628 -7.977 1.00 0.00 C ATOM 888 CG ASN A 51 -9.942 -1.820 -8.235 1.00 0.00 C ATOM 889 OD1 ASN A 51 -10.395 -2.926 -8.530 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.707 -0.739 -8.124 1.00 0.00 N ATOM 0 H ASN A 51 -7.837 0.208 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.836 -2.518 -6.064 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.173 -0.617 -8.266 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.893 -2.314 -8.606 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.712 -0.807 -8.285 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.289 0.158 -7.877 1.00 0.00 H new