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= 0.525 K(o=0.52,f=-0.7) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 32 GLN : amide:sc= -2.21 K(o=-2.2,f=-7.1!) USER MOD Single : A 33 GLN : amide:sc= -2.79 K(o=-2.8,f=-0.19) 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= -0.766 X(o=-0.77,f=-0.33) USER MOD Single : A 44 GLN : amide:sc= -5.32! K(o=-5.3!,f=-0.57) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.1) USER MOD Single : A 51 ASN : amide:sc= 0.0439 X(o=0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 5.069 0.137 -6.046 1.00 0.00 N ATOM 393 CA ASN A 23 3.868 0.957 -6.000 1.00 0.00 C ATOM 394 C ASN A 23 3.407 1.153 -4.561 1.00 0.00 C ATOM 395 O ASN A 23 2.221 1.062 -4.248 1.00 0.00 O ATOM 396 CB ASN A 23 2.748 0.358 -6.862 1.00 0.00 C ATOM 397 CG ASN A 23 2.366 -1.051 -6.471 1.00 0.00 C ATOM 398 OD1 ASN A 23 2.625 -2.000 -7.211 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.730 -1.198 -5.315 1.00 0.00 N ATOM 0 HA ASN A 23 4.113 1.934 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.867 0.996 -6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.063 0.363 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.436 -2.125 -5.009 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.536 -0.383 -4.733 1.00 0.00 H new ATOM 406 N ARG A 24 4.374 1.432 -3.698 1.00 0.00 N ATOM 407 CA ARG A 24 4.122 1.655 -2.281 1.00 0.00 C ATOM 408 C ARG A 24 4.203 3.145 -1.949 1.00 0.00 C ATOM 409 O ARG A 24 3.483 3.651 -1.090 1.00 0.00 O ATOM 410 CB ARG A 24 5.160 0.874 -1.465 1.00 0.00 C ATOM 411 CG ARG A 24 5.870 1.693 -0.395 1.00 0.00 C ATOM 412 CD ARG A 24 6.666 0.807 0.550 1.00 0.00 C ATOM 413 NE ARG A 24 7.610 1.577 1.357 1.00 0.00 N ATOM 414 CZ ARG A 24 7.262 2.289 2.426 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.995 2.334 2.819 1.00 0.00 N ATOM 416 NH2 ARG A 24 8.184 2.961 3.104 1.00 0.00 N ATOM 0 H ARG A 24 5.356 1.510 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 24 3.119 1.308 -2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.666 0.027 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.906 0.465 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.537 2.412 -0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.136 2.265 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.981 0.270 1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.209 0.058 -0.026 1.00 0.00 H new ATOM 0 HE ARG A 24 8.593 1.568 1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.282 1.821 2.301 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.735 2.882 3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.159 2.932 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.918 3.507 3.923 1.00 0.00 H new ATOM 430 N TYR A 25 5.114 3.820 -2.632 1.00 0.00 N ATOM 431 CA TYR A 25 5.354 5.245 -2.432 1.00 0.00 C ATOM 432 C TYR A 25 4.516 6.102 -3.387 1.00 0.00 C ATOM 433 O TYR A 25 3.943 7.110 -2.982 1.00 0.00 O ATOM 434 CB TYR A 25 6.835 5.539 -2.664 1.00 0.00 C ATOM 435 CG TYR A 25 7.178 5.517 -4.129 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.211 4.320 -4.830 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.408 6.695 -4.823 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.472 4.295 -6.177 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.666 6.682 -6.176 1.00 0.00 C ATOM 440 CZ TYR A 25 7.698 5.478 -6.853 1.00 0.00 C ATOM 441 OH TYR A 25 7.956 5.458 -8.204 1.00 0.00 O ATOM 0 H TYR A 25 5.710 3.396 -3.343 1.00 0.00 H new ATOM 0 HA TYR A 25 5.065 5.497 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.083 6.514 -2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.440 4.802 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.028 3.393 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.385 7.637 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.501 3.354 -6.706 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.842 7.607 -6.704 1.00 0.00 H new ATOM 0 HH TYR A 25 8.091 6.374 -8.525 1.00 0.00 H new ATOM 451 N LEU A 26 4.469 5.701 -4.662 1.00 0.00 N ATOM 452 CA LEU A 26 3.719 6.440 -5.685 1.00 0.00 C ATOM 453 C LEU A 26 2.332 6.810 -5.182 1.00 0.00 C ATOM 454 O LEU A 26 1.744 7.806 -5.602 1.00 0.00 O ATOM 455 CB LEU A 26 3.603 5.631 -6.984 1.00 0.00 C ATOM 456 CG LEU A 26 3.621 4.110 -6.836 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.209 3.564 -6.681 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.318 3.475 -8.030 1.00 0.00 C ATOM 0 H LEU A 26 4.942 4.868 -5.011 1.00 0.00 H new ATOM 0 HA LEU A 26 4.273 7.355 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.677 5.916 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.422 5.921 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 26 4.178 3.857 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.248 2.480 -6.577 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.747 3.997 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.620 3.824 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.325 2.391 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.786 3.738 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.343 3.840 -8.089 1.00 0.00 H new ATOM 470 N THR A 27 1.832 6.002 -4.267 1.00 0.00 N ATOM 471 CA THR A 27 0.527 6.217 -3.663 1.00 0.00 C ATOM 472 C THR A 27 0.482 7.587 -2.981 1.00 0.00 C ATOM 473 O THR A 27 -0.590 8.141 -2.737 1.00 0.00 O ATOM 474 CB THR A 27 0.240 5.091 -2.666 1.00 0.00 C ATOM 475 OG1 THR A 27 0.694 5.432 -1.368 1.00 0.00 O ATOM 476 CG2 THR A 27 0.900 3.779 -3.058 1.00 0.00 C ATOM 0 H THR A 27 2.319 5.176 -3.919 1.00 0.00 H new ATOM 0 HA THR A 27 -0.243 6.204 -4.434 1.00 0.00 H new ATOM 0 HB THR A 27 -0.842 4.961 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.038 6.017 -0.935 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.663 3.017 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.531 3.463 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.980 3.915 -3.106 1.00 0.00 H new ATOM 484 N GLU A 28 1.665 8.126 -2.696 1.00 0.00 N ATOM 485 CA GLU A 28 1.800 9.434 -2.070 1.00 0.00 C ATOM 486 C GLU A 28 2.672 10.353 -2.933 1.00 0.00 C ATOM 487 O GLU A 28 2.648 11.574 -2.775 1.00 0.00 O ATOM 488 CB GLU A 28 2.409 9.294 -0.672 1.00 0.00 C ATOM 489 CG GLU A 28 1.376 9.265 0.442 1.00 0.00 C ATOM 490 CD GLU A 28 0.957 7.856 0.812 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.614 7.253 1.686 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.027 7.356 0.227 1.00 0.00 O ATOM 0 H GLU A 28 2.554 7.667 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 28 0.808 9.877 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.000 8.379 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.095 10.124 -0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.783 9.762 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.498 9.832 0.133 1.00 0.00 H new ATOM 499 N ARG A 29 3.436 9.755 -3.853 1.00 0.00 N ATOM 500 CA ARG A 29 4.309 10.510 -4.749 1.00 0.00 C ATOM 501 C ARG A 29 3.618 10.756 -6.086 1.00 0.00 C ATOM 502 O ARG A 29 3.516 11.893 -6.546 1.00 0.00 O ATOM 503 CB ARG A 29 5.623 9.759 -4.971 1.00 0.00 C ATOM 504 CG ARG A 29 6.634 10.536 -5.798 1.00 0.00 C ATOM 505 CD ARG A 29 6.541 10.177 -7.272 1.00 0.00 C ATOM 506 NE ARG A 29 7.548 10.872 -8.070 1.00 0.00 N ATOM 507 CZ ARG A 29 7.916 10.494 -9.293 1.00 0.00 C ATOM 508 NH1 ARG A 29 7.363 9.430 -9.861 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.839 11.183 -9.949 1.00 0.00 N ATOM 0 H ARG A 29 3.465 8.745 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 29 4.527 11.472 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.064 9.521 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.411 8.812 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.464 11.605 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.640 10.328 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.664 9.101 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.548 10.428 -7.644 1.00 0.00 H new ATOM 0 HE ARG A 29 7.996 11.695 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.652 8.897 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.649 9.146 -10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.267 12.002 -9.517 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.121 10.894 -10.886 1.00 0.00 H new ATOM 523 N ARG A 30 3.136 9.680 -6.699 1.00 0.00 N ATOM 524 CA ARG A 30 2.441 9.767 -7.977 1.00 0.00 C ATOM 525 C ARG A 30 0.983 10.149 -7.763 1.00 0.00 C ATOM 526 O ARG A 30 0.363 10.769 -8.625 1.00 0.00 O ATOM 527 CB ARG A 30 2.527 8.439 -8.729 1.00 0.00 C ATOM 528 CG ARG A 30 3.721 8.344 -9.664 1.00 0.00 C ATOM 529 CD ARG A 30 4.149 6.900 -9.879 1.00 0.00 C ATOM 530 NE ARG A 30 4.277 6.573 -11.297 1.00 0.00 N ATOM 531 CZ ARG A 30 3.246 6.282 -12.088 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.010 6.271 -11.604 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.452 6.000 -13.367 1.00 0.00 N ATOM 0 H ARG A 30 3.215 8.733 -6.328 1.00 0.00 H new ATOM 0 HA ARG A 30 2.925 10.539 -8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.577 7.625 -8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.613 8.298 -9.306 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.470 8.797 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.554 8.914 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.102 6.726 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.421 6.233 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 30 5.212 6.567 -11.705 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.845 6.486 -10.621 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.225 6.047 -12.215 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.400 6.006 -13.744 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.663 5.777 -13.974 1.00 0.00 H new ATOM 547 N ARG A 31 0.441 9.790 -6.600 1.00 0.00 N ATOM 548 CA ARG A 31 -0.942 10.120 -6.272 1.00 0.00 C ATOM 549 C ARG A 31 -1.189 11.600 -6.532 1.00 0.00 C ATOM 550 O ARG A 31 -2.298 12.011 -6.877 1.00 0.00 O ATOM 551 CB ARG A 31 -1.240 9.776 -4.809 1.00 0.00 C ATOM 552 CG ARG A 31 -2.523 10.397 -4.274 1.00 0.00 C ATOM 553 CD ARG A 31 -3.135 9.550 -3.171 1.00 0.00 C ATOM 554 NE ARG A 31 -4.456 10.034 -2.778 1.00 0.00 N ATOM 555 CZ ARG A 31 -5.155 9.540 -1.759 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.664 8.547 -1.028 1.00 0.00 N ATOM 557 NH2 ARG A 31 -6.349 10.039 -1.471 1.00 0.00 N ATOM 0 H ARG A 31 0.937 9.273 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.609 9.532 -6.903 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.303 8.693 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.404 10.106 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.313 11.396 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.240 10.510 -5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.213 8.517 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.475 9.553 -2.303 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.867 10.796 -3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.746 8.159 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.204 8.172 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.732 10.801 -2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.885 9.661 -0.690 1.00 0.00 H new ATOM 571 N GLN A 32 -0.132 12.390 -6.379 1.00 0.00 N ATOM 572 CA GLN A 32 -0.209 13.826 -6.611 1.00 0.00 C ATOM 573 C GLN A 32 -0.192 14.124 -8.106 1.00 0.00 C ATOM 574 O GLN A 32 -0.811 15.085 -8.565 1.00 0.00 O ATOM 575 CB GLN A 32 0.954 14.541 -5.920 1.00 0.00 C ATOM 576 CG GLN A 32 0.668 14.915 -4.475 1.00 0.00 C ATOM 577 CD GLN A 32 0.315 13.713 -3.621 1.00 0.00 C ATOM 578 OE1 GLN A 32 0.693 12.583 -3.933 1.00 0.00 O ATOM 579 NE2 GLN A 32 -0.411 13.951 -2.536 1.00 0.00 N ATOM 0 H GLN A 32 0.790 12.058 -6.095 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.145 14.193 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.835 13.899 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.197 15.445 -6.479 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.541 15.412 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.153 15.631 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.702 14.903 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.678 13.181 -1.922 1.00 0.00 H new ATOM 588 N GLN A 33 0.516 13.289 -8.865 1.00 0.00 N ATOM 589 CA GLN A 33 0.604 13.462 -10.311 1.00 0.00 C ATOM 590 C GLN A 33 -0.666 12.963 -10.987 1.00 0.00 C ATOM 591 O GLN A 33 -1.173 13.593 -11.913 1.00 0.00 O ATOM 592 CB GLN A 33 1.846 12.748 -10.873 1.00 0.00 C ATOM 593 CG GLN A 33 1.615 11.313 -11.336 1.00 0.00 C ATOM 594 CD GLN A 33 1.336 11.219 -12.824 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.188 11.546 -13.649 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.137 10.769 -13.176 1.00 0.00 N ATOM 0 H GLN A 33 1.035 12.489 -8.503 1.00 0.00 H new ATOM 0 HA GLN A 33 0.706 14.526 -10.524 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.229 13.327 -11.713 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.622 12.746 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.492 10.712 -11.096 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.776 10.888 -10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.541 10.509 -12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.106 10.684 -14.163 1.00 0.00 H new ATOM 605 N LEU A 34 -1.189 11.841 -10.507 1.00 0.00 N ATOM 606 CA LEU A 34 -2.409 11.285 -11.062 1.00 0.00 C ATOM 607 C LEU A 34 -3.552 12.262 -10.841 1.00 0.00 C ATOM 608 O LEU A 34 -4.235 12.659 -11.784 1.00 0.00 O ATOM 609 CB LEU A 34 -2.740 9.946 -10.411 1.00 0.00 C ATOM 610 CG LEU A 34 -1.785 8.788 -10.722 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.362 8.083 -9.440 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.445 7.806 -11.677 1.00 0.00 C ATOM 0 H LEU A 34 -0.787 11.304 -9.739 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.265 11.119 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.766 10.088 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.744 9.654 -10.719 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.892 9.193 -11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.684 7.264 -9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.855 8.792 -8.785 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.243 7.688 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.757 6.988 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.351 7.408 -11.221 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.700 8.317 -12.605 1.00 0.00 H new ATOM 624 N SER A 35 -3.740 12.656 -9.582 1.00 0.00 N ATOM 625 CA SER A 35 -4.786 13.600 -9.207 1.00 0.00 C ATOM 626 C SER A 35 -4.898 14.749 -10.210 1.00 0.00 C ATOM 627 O SER A 35 -5.979 15.302 -10.412 1.00 0.00 O ATOM 628 CB SER A 35 -4.510 14.158 -7.809 1.00 0.00 C ATOM 629 OG SER A 35 -5.235 15.354 -7.581 1.00 0.00 O ATOM 0 H SER A 35 -3.174 12.330 -8.799 1.00 0.00 H new ATOM 0 HA SER A 35 -5.734 13.062 -9.208 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.782 13.416 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.443 14.349 -7.695 1.00 0.00 H new ATOM 0 HG SER A 35 -5.041 15.687 -6.680 1.00 0.00 H new ATOM 635 N SER A 36 -3.777 15.113 -10.830 1.00 0.00 N ATOM 636 CA SER A 36 -3.766 16.205 -11.801 1.00 0.00 C ATOM 637 C SER A 36 -3.294 15.742 -13.177 1.00 0.00 C ATOM 638 O SER A 36 -2.957 16.562 -14.032 1.00 0.00 O ATOM 639 CB SER A 36 -2.866 17.336 -11.303 1.00 0.00 C ATOM 640 OG SER A 36 -3.571 18.207 -10.435 1.00 0.00 O ATOM 0 H SER A 36 -2.870 14.671 -10.679 1.00 0.00 H new ATOM 0 HA SER A 36 -4.791 16.563 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.005 16.917 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.481 17.899 -12.153 1.00 0.00 H new ATOM 0 HG SER A 36 -2.972 18.920 -10.130 1.00 0.00 H new ATOM 646 N GLU A 37 -3.263 14.431 -13.393 1.00 0.00 N ATOM 647 CA GLU A 37 -2.825 13.884 -14.673 1.00 0.00 C ATOM 648 C GLU A 37 -3.999 13.358 -15.496 1.00 0.00 C ATOM 649 O GLU A 37 -4.078 13.612 -16.699 1.00 0.00 O ATOM 650 CB GLU A 37 -1.802 12.765 -14.457 1.00 0.00 C ATOM 651 CG GLU A 37 -1.378 12.069 -15.742 1.00 0.00 C ATOM 652 CD GLU A 37 -1.894 10.646 -15.833 1.00 0.00 C ATOM 653 OE1 GLU A 37 -3.083 10.465 -16.168 1.00 0.00 O ATOM 654 OE2 GLU A 37 -1.108 9.712 -15.569 1.00 0.00 O ATOM 0 H GLU A 37 -3.534 13.731 -12.703 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.359 14.697 -15.230 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.919 13.180 -13.971 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.223 12.026 -13.776 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.743 12.639 -16.597 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.290 12.062 -15.805 1.00 0.00 H new ATOM 661 N LEU A 38 -4.904 12.612 -14.863 1.00 0.00 N ATOM 662 CA LEU A 38 -6.045 12.056 -15.584 1.00 0.00 C ATOM 663 C LEU A 38 -7.342 12.823 -15.313 1.00 0.00 C ATOM 664 O LEU A 38 -8.429 12.348 -15.643 1.00 0.00 O ATOM 665 CB LEU A 38 -6.216 10.559 -15.278 1.00 0.00 C ATOM 666 CG LEU A 38 -6.319 10.175 -13.804 1.00 0.00 C ATOM 667 CD1 LEU A 38 -7.257 8.992 -13.642 1.00 0.00 C ATOM 668 CD2 LEU A 38 -4.950 9.843 -13.219 1.00 0.00 C ATOM 0 H LEU A 38 -4.870 12.382 -13.870 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.829 12.168 -16.647 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.114 10.207 -15.786 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.372 10.023 -15.713 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.718 11.030 -13.258 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.325 8.724 -12.588 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.246 9.259 -14.014 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.873 8.143 -14.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.059 9.574 -12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.514 9.006 -13.765 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.297 10.712 -13.305 1.00 0.00 H new ATOM 680 N GLY A 39 -7.226 14.019 -14.739 1.00 0.00 N ATOM 681 CA GLY A 39 -8.401 14.831 -14.471 1.00 0.00 C ATOM 682 C GLY A 39 -9.390 14.138 -13.567 1.00 0.00 C ATOM 683 O GLY A 39 -10.473 13.743 -13.998 1.00 0.00 O ATOM 0 H GLY A 39 -6.341 14.439 -14.455 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.092 15.771 -14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.888 15.081 -15.413 1.00 0.00 H new ATOM 687 N LEU A 40 -9.009 13.979 -12.312 1.00 0.00 N ATOM 688 CA LEU A 40 -9.854 13.314 -11.334 1.00 0.00 C ATOM 689 C LEU A 40 -10.566 14.308 -10.432 1.00 0.00 C ATOM 690 O LEU A 40 -10.643 15.498 -10.740 1.00 0.00 O ATOM 691 CB LEU A 40 -9.007 12.351 -10.524 1.00 0.00 C ATOM 692 CG LEU A 40 -8.198 11.395 -11.389 1.00 0.00 C ATOM 693 CD1 LEU A 40 -6.716 11.523 -11.082 1.00 0.00 C ATOM 694 CD2 LEU A 40 -8.688 9.968 -11.209 1.00 0.00 C ATOM 0 H LEU A 40 -8.115 14.303 -11.944 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.632 12.761 -11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.328 12.920 -9.889 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.654 11.774 -9.863 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.341 11.662 -12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.153 10.832 -11.710 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.390 12.543 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.540 11.285 -10.033 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.098 9.299 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.581 9.676 -10.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.737 9.904 -11.498 1.00 0.00 H new ATOM 706 N ASN A 41 -11.108 13.814 -9.324 1.00 0.00 N ATOM 707 CA ASN A 41 -11.839 14.671 -8.394 1.00 0.00 C ATOM 708 C ASN A 41 -11.309 14.552 -6.969 1.00 0.00 C ATOM 709 O ASN A 41 -11.979 14.950 -6.016 1.00 0.00 O ATOM 710 CB ASN A 41 -13.323 14.318 -8.418 1.00 0.00 C ATOM 711 CG ASN A 41 -14.187 15.408 -7.818 1.00 0.00 C ATOM 712 OD1 ASN A 41 -14.484 16.410 -8.469 1.00 0.00 O ATOM 713 ND2 ASN A 41 -14.595 15.220 -6.569 1.00 0.00 N ATOM 0 H ASN A 41 -11.057 12.833 -9.048 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.696 15.702 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.634 14.137 -9.447 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.481 13.390 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.178 15.921 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.325 14.375 -6.066 1.00 0.00 H new ATOM 720 N GLU A 42 -10.110 14.001 -6.823 1.00 0.00 N ATOM 721 CA GLU A 42 -9.501 13.831 -5.507 1.00 0.00 C ATOM 722 C GLU A 42 -10.276 12.815 -4.663 1.00 0.00 C ATOM 723 O GLU A 42 -9.994 12.638 -3.477 1.00 0.00 O ATOM 724 CB GLU A 42 -9.422 15.174 -4.773 1.00 0.00 C ATOM 725 CG GLU A 42 -8.048 15.821 -4.842 1.00 0.00 C ATOM 726 CD GLU A 42 -7.600 16.383 -3.508 1.00 0.00 C ATOM 727 OE1 GLU A 42 -8.460 16.893 -2.759 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.389 16.315 -3.212 1.00 0.00 O ATOM 0 H GLU A 42 -9.539 13.664 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.491 13.449 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.158 15.856 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.693 15.025 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.321 15.085 -5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.064 16.621 -5.582 1.00 0.00 H new ATOM 735 N ALA A 43 -11.246 12.143 -5.282 1.00 0.00 N ATOM 736 CA ALA A 43 -12.050 11.141 -4.590 1.00 0.00 C ATOM 737 C ALA A 43 -11.855 9.771 -5.222 1.00 0.00 C ATOM 738 O ALA A 43 -11.941 8.745 -4.548 1.00 0.00 O ATOM 739 CB ALA A 43 -13.520 11.523 -4.614 1.00 0.00 C ATOM 0 H ALA A 43 -11.493 12.276 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.719 11.098 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.102 10.763 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.654 12.485 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.860 11.596 -5.647 1.00 0.00 H new ATOM 745 N GLN A 44 -11.569 9.763 -6.520 1.00 0.00 N ATOM 746 CA GLN A 44 -11.336 8.530 -7.238 1.00 0.00 C ATOM 747 C GLN A 44 -9.866 8.164 -7.149 1.00 0.00 C ATOM 748 O GLN A 44 -9.446 7.104 -7.610 1.00 0.00 O ATOM 749 CB GLN A 44 -11.762 8.641 -8.701 1.00 0.00 C ATOM 750 CG GLN A 44 -13.077 9.379 -8.903 1.00 0.00 C ATOM 751 CD GLN A 44 -12.994 10.405 -10.012 1.00 0.00 C ATOM 752 OE1 GLN A 44 -13.925 10.563 -10.801 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.873 11.107 -10.075 1.00 0.00 N ATOM 0 H GLN A 44 -11.494 10.604 -7.092 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.940 7.748 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.979 9.153 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.850 7.639 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.863 8.660 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.360 9.873 -7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.128 10.940 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.754 11.814 -10.800 1.00 0.00 H new ATOM 762 N ILE A 45 -9.084 9.049 -6.537 1.00 0.00 N ATOM 763 CA ILE A 45 -7.674 8.813 -6.372 1.00 0.00 C ATOM 764 C ILE A 45 -7.456 7.569 -5.567 1.00 0.00 C ATOM 765 O ILE A 45 -6.837 6.612 -6.025 1.00 0.00 O ATOM 766 CB ILE A 45 -6.975 9.979 -5.662 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.451 11.318 -6.217 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.488 9.830 -5.836 1.00 0.00 C ATOM 769 CD1 ILE A 45 -7.432 11.362 -7.722 1.00 0.00 C ATOM 0 H ILE A 45 -9.414 9.933 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.248 8.708 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.223 9.958 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.464 11.514 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.818 12.115 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.979 10.654 -5.335 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.164 8.885 -5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.243 9.844 -6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.780 12.337 -8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.415 11.195 -8.078 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.087 10.585 -8.117 1.00 0.00 H new ATOM 781 N LYS A 46 -7.994 7.584 -4.369 1.00 0.00 N ATOM 782 CA LYS A 46 -7.879 6.441 -3.499 1.00 0.00 C ATOM 783 C LYS A 46 -8.565 5.239 -4.139 1.00 0.00 C ATOM 784 O LYS A 46 -8.303 4.098 -3.767 1.00 0.00 O ATOM 785 CB LYS A 46 -8.493 6.740 -2.131 1.00 0.00 C ATOM 786 CG LYS A 46 -9.945 7.180 -2.201 1.00 0.00 C ATOM 787 CD LYS A 46 -10.403 7.801 -0.891 1.00 0.00 C ATOM 788 CE LYS A 46 -11.891 8.112 -0.911 1.00 0.00 C ATOM 789 NZ LYS A 46 -12.520 7.911 0.423 1.00 0.00 N ATOM 0 H LYS A 46 -8.512 8.371 -3.978 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.823 6.214 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.421 5.849 -1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.909 7.519 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.069 7.900 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.575 6.323 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.184 7.120 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.841 8.717 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.042 9.143 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.385 7.475 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.534 8.134 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.399 6.921 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.067 8.537 1.118 1.00 0.00 H new ATOM 803 N ILE A 47 -9.453 5.505 -5.109 1.00 0.00 N ATOM 804 CA ILE A 47 -10.177 4.437 -5.789 1.00 0.00 C ATOM 805 C ILE A 47 -9.255 3.560 -6.649 1.00 0.00 C ATOM 806 O ILE A 47 -9.480 2.353 -6.750 1.00 0.00 O ATOM 807 CB ILE A 47 -11.336 5.002 -6.649 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.604 5.122 -5.803 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.600 4.134 -7.874 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.445 6.029 -4.602 1.00 0.00 C ATOM 0 H ILE A 47 -9.681 6.445 -5.433 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.597 3.804 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.042 5.991 -7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.414 5.498 -6.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.899 4.130 -5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.419 4.561 -8.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.702 4.093 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.868 3.127 -7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.383 6.067 -4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.657 5.642 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.180 7.032 -4.936 1.00 0.00 H new ATOM 822 N TRP A 48 -8.221 4.142 -7.267 1.00 0.00 N ATOM 823 CA TRP A 48 -7.314 3.335 -8.096 1.00 0.00 C ATOM 824 C TRP A 48 -6.484 2.412 -7.221 1.00 0.00 C ATOM 825 O TRP A 48 -6.535 1.189 -7.356 1.00 0.00 O ATOM 826 CB TRP A 48 -6.357 4.188 -8.944 1.00 0.00 C ATOM 827 CG TRP A 48 -6.820 5.578 -9.211 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.039 5.969 -9.657 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.051 6.761 -9.060 1.00 0.00 C ATOM 830 NE1 TRP A 48 -8.085 7.326 -9.780 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.875 7.836 -9.418 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.749 7.018 -8.650 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -6.440 9.142 -9.376 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -4.317 8.325 -8.609 1.00 0.00 C ATOM 835 CH2 TRP A 48 -5.164 9.374 -8.969 1.00 0.00 C ATOM 0 H TRP A 48 -7.994 5.135 -7.214 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.949 2.764 -8.773 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.392 4.233 -8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.195 3.686 -9.898 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.857 5.301 -9.883 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.891 7.869 -10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.090 6.210 -8.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.092 9.956 -9.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.307 8.541 -8.293 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.799 10.389 -8.923 1.00 0.00 H new ATOM 846 N PHE A 49 -5.715 3.015 -6.327 1.00 0.00 N ATOM 847 CA PHE A 49 -4.856 2.265 -5.419 1.00 0.00 C ATOM 848 C PHE A 49 -5.682 1.288 -4.593 1.00 0.00 C ATOM 849 O PHE A 49 -5.201 0.222 -4.209 1.00 0.00 O ATOM 850 CB PHE A 49 -4.069 3.209 -4.501 1.00 0.00 C ATOM 851 CG PHE A 49 -3.659 4.490 -5.159 1.00 0.00 C ATOM 852 CD1 PHE A 49 -4.506 5.581 -5.159 1.00 0.00 C ATOM 853 CD2 PHE A 49 -2.427 4.602 -5.779 1.00 0.00 C ATOM 854 CE1 PHE A 49 -4.139 6.756 -5.762 1.00 0.00 C ATOM 855 CE2 PHE A 49 -2.050 5.783 -6.388 1.00 0.00 C ATOM 856 CZ PHE A 49 -2.909 6.865 -6.378 1.00 0.00 C ATOM 0 H PHE A 49 -5.667 4.027 -6.210 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.141 1.701 -6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.676 3.439 -3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.178 2.694 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.470 5.507 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.754 3.758 -5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.814 7.599 -5.755 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.087 5.860 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.619 7.792 -6.850 1.00 0.00 H new ATOM 866 N GLN A 50 -6.939 1.649 -4.338 1.00 0.00 N ATOM 867 CA GLN A 50 -7.837 0.785 -3.575 1.00 0.00 C ATOM 868 C GLN A 50 -7.847 -0.618 -4.173 1.00 0.00 C ATOM 869 O GLN A 50 -8.045 -1.607 -3.469 1.00 0.00 O ATOM 870 CB GLN A 50 -9.260 1.354 -3.567 1.00 0.00 C ATOM 871 CG GLN A 50 -9.811 1.604 -2.173 1.00 0.00 C ATOM 872 CD GLN A 50 -9.253 2.862 -1.536 1.00 0.00 C ATOM 873 OE1 GLN A 50 -8.045 2.988 -1.338 1.00 0.00 O ATOM 874 NE2 GLN A 50 -10.135 3.800 -1.213 1.00 0.00 N ATOM 0 H GLN A 50 -7.356 2.527 -4.646 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.475 0.737 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.270 2.290 -4.125 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.921 0.663 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.897 1.680 -2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.581 0.748 -1.538 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.127 3.652 -1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.820 4.669 -0.782 1.00 0.00 H new ATOM 883 N ASN A 51 -7.625 -0.687 -5.482 1.00 0.00 N ATOM 884 CA ASN A 51 -7.598 -1.960 -6.188 1.00 0.00 C ATOM 885 C ASN A 51 -6.206 -2.578 -6.127 1.00 0.00 C ATOM 886 O ASN A 51 -6.056 -3.799 -6.151 1.00 0.00 O ATOM 887 CB ASN A 51 -8.022 -1.768 -7.646 1.00 0.00 C ATOM 888 CG ASN A 51 -9.528 -1.721 -7.809 1.00 0.00 C ATOM 889 OD1 ASN A 51 -10.131 -2.633 -8.376 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.145 -0.656 -7.311 1.00 0.00 N ATOM 0 H ASN A 51 -7.461 0.127 -6.075 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.301 -2.636 -5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.589 -0.844 -8.029 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.619 -2.582 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.158 -0.570 -7.390 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.606 0.076 -6.849 1.00 0.00 H new