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= -0.0488 K(o=-0.049,f=-1.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -2.87 K(o=-2.9,f=-0.85) USER MOD Single : A 35 SER OG : rot 135:sc= 0.314! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.967 X(o=-0.97,f=-0.69) USER MOD Single : A 44 GLN : amide:sc= -7.38! C(o=-7.4!,f=-1.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 51 ASN : amide:sc= -0.915 K(o=-0.91,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 4.411 2.941 -0.678 1.00 0.00 N ATOM 393 CA ASN A 23 3.234 3.753 -0.961 1.00 0.00 C ATOM 394 C ASN A 23 2.938 4.654 0.226 1.00 0.00 C ATOM 395 O ASN A 23 1.787 4.921 0.568 1.00 0.00 O ATOM 396 CB ASN A 23 2.023 2.882 -1.334 1.00 0.00 C ATOM 397 CG ASN A 23 1.490 2.038 -0.193 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.662 0.820 -0.183 1.00 0.00 O ATOM 399 ND2 ASN A 23 0.814 2.673 0.755 1.00 0.00 N ATOM 0 HA ASN A 23 3.441 4.381 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.224 3.527 -1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.302 2.225 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.412 2.149 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.696 3.685 0.706 1.00 0.00 H new ATOM 406 N ARG A 24 4.016 5.114 0.843 1.00 0.00 N ATOM 407 CA ARG A 24 3.950 5.991 2.001 1.00 0.00 C ATOM 408 C ARG A 24 4.228 7.440 1.603 1.00 0.00 C ATOM 409 O ARG A 24 3.776 8.377 2.261 1.00 0.00 O ATOM 410 CB ARG A 24 4.984 5.516 3.030 1.00 0.00 C ATOM 411 CG ARG A 24 5.866 6.617 3.599 1.00 0.00 C ATOM 412 CD ARG A 24 6.601 6.154 4.847 1.00 0.00 C ATOM 413 NE ARG A 24 7.775 6.979 5.129 1.00 0.00 N ATOM 414 CZ ARG A 24 7.715 8.190 5.677 1.00 0.00 C ATOM 415 NH1 ARG A 24 6.543 8.723 6.001 1.00 0.00 N ATOM 416 NH2 ARG A 24 8.829 8.871 5.902 1.00 0.00 N ATOM 0 H ARG A 24 4.967 4.887 0.552 1.00 0.00 H new ATOM 0 HA ARG A 24 2.949 5.952 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.461 5.027 3.852 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.620 4.763 2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.588 6.931 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.255 7.487 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.923 6.185 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.909 5.116 4.722 1.00 0.00 H new ATOM 0 HE ARG A 24 8.694 6.604 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.682 8.204 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.504 9.652 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.732 8.467 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.783 9.799 6.322 1.00 0.00 H new ATOM 430 N TYR A 25 5.003 7.606 0.540 1.00 0.00 N ATOM 431 CA TYR A 25 5.385 8.928 0.059 1.00 0.00 C ATOM 432 C TYR A 25 4.661 9.293 -1.240 1.00 0.00 C ATOM 433 O TYR A 25 4.177 10.411 -1.388 1.00 0.00 O ATOM 434 CB TYR A 25 6.894 8.964 -0.172 1.00 0.00 C ATOM 435 CG TYR A 25 7.285 8.256 -1.442 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.227 6.872 -1.532 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.665 8.975 -2.564 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.540 6.226 -2.706 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.984 8.339 -3.742 1.00 0.00 C ATOM 440 CZ TYR A 25 7.920 6.961 -3.811 1.00 0.00 C ATOM 441 OH TYR A 25 8.233 6.319 -4.988 1.00 0.00 O ATOM 0 H TYR A 25 5.382 6.835 -0.010 1.00 0.00 H new ATOM 0 HA TYR A 25 5.098 9.658 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.230 10.000 -0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.402 8.500 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.932 6.294 -0.669 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.712 10.053 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.489 5.149 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.282 8.913 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 25 8.479 6.982 -5.667 1.00 0.00 H new ATOM 451 N LEU A 26 4.602 8.348 -2.184 1.00 0.00 N ATOM 452 CA LEU A 26 3.946 8.584 -3.473 1.00 0.00 C ATOM 453 C LEU A 26 2.550 9.153 -3.267 1.00 0.00 C ATOM 454 O LEU A 26 2.020 9.863 -4.117 1.00 0.00 O ATOM 455 CB LEU A 26 3.865 7.290 -4.287 1.00 0.00 C ATOM 456 CG LEU A 26 3.480 6.042 -3.495 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.971 5.845 -3.500 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.183 4.816 -4.062 1.00 0.00 C ATOM 0 H LEU A 26 5.000 7.415 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 26 4.544 9.308 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.139 7.429 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.832 7.116 -4.759 1.00 0.00 H new ATOM 0 HG LEU A 26 3.801 6.178 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.719 4.951 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.489 6.712 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.622 5.732 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.898 3.935 -3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.892 4.679 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.262 4.955 -4.002 1.00 0.00 H new ATOM 470 N THR A 27 1.977 8.842 -2.119 1.00 0.00 N ATOM 471 CA THR A 27 0.653 9.319 -1.756 1.00 0.00 C ATOM 472 C THR A 27 0.677 10.838 -1.596 1.00 0.00 C ATOM 473 O THR A 27 -0.356 11.504 -1.659 1.00 0.00 O ATOM 474 CB THR A 27 0.200 8.634 -0.465 1.00 0.00 C ATOM 475 OG1 THR A 27 0.617 9.369 0.673 1.00 0.00 O ATOM 476 CG2 THR A 27 0.742 7.224 -0.329 1.00 0.00 C ATOM 0 H THR A 27 2.415 8.252 -1.412 1.00 0.00 H new ATOM 0 HA THR A 27 -0.058 9.073 -2.544 1.00 0.00 H new ATOM 0 HB THR A 27 -0.888 8.592 -0.521 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.315 8.913 1.486 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.389 6.787 0.605 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.396 6.619 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.832 7.252 -0.327 1.00 0.00 H new ATOM 484 N GLU A 28 1.881 11.371 -1.406 1.00 0.00 N ATOM 485 CA GLU A 28 2.097 12.804 -1.257 1.00 0.00 C ATOM 486 C GLU A 28 3.274 13.256 -2.127 1.00 0.00 C ATOM 487 O GLU A 28 3.714 14.402 -2.047 1.00 0.00 O ATOM 488 CB GLU A 28 2.366 13.148 0.209 1.00 0.00 C ATOM 489 CG GLU A 28 1.760 14.473 0.644 1.00 0.00 C ATOM 490 CD GLU A 28 0.285 14.357 0.974 1.00 0.00 C ATOM 491 OE1 GLU A 28 -0.368 13.425 0.458 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.217 15.199 1.748 1.00 0.00 O ATOM 0 H GLU A 28 2.736 10.818 -1.351 1.00 0.00 H new ATOM 0 HA GLU A 28 1.198 13.328 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.969 12.352 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.443 13.179 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.296 14.845 1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.895 15.208 -0.149 1.00 0.00 H new ATOM 499 N ARG A 29 3.779 12.339 -2.959 1.00 0.00 N ATOM 500 CA ARG A 29 4.900 12.624 -3.848 1.00 0.00 C ATOM 501 C ARG A 29 4.435 12.645 -5.299 1.00 0.00 C ATOM 502 O ARG A 29 4.712 13.590 -6.038 1.00 0.00 O ATOM 503 CB ARG A 29 5.998 11.573 -3.669 1.00 0.00 C ATOM 504 CG ARG A 29 7.399 12.115 -3.898 1.00 0.00 C ATOM 505 CD ARG A 29 7.864 12.970 -2.729 1.00 0.00 C ATOM 506 NE ARG A 29 9.259 12.710 -2.381 1.00 0.00 N ATOM 507 CZ ARG A 29 10.012 13.541 -1.664 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.509 14.685 -1.216 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.270 13.227 -1.392 1.00 0.00 N ATOM 0 H ARG A 29 3.422 11.386 -3.032 1.00 0.00 H new ATOM 0 HA ARG A 29 5.302 13.604 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.936 11.162 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.818 10.750 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.092 11.286 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.416 12.707 -4.813 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.743 14.024 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.232 12.774 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 29 9.681 11.840 -2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.541 14.931 -1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.091 15.318 -0.667 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.661 12.349 -1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.847 13.864 -0.843 1.00 0.00 H new ATOM 523 N ARG A 30 3.720 11.597 -5.698 1.00 0.00 N ATOM 524 CA ARG A 30 3.207 11.492 -7.060 1.00 0.00 C ATOM 525 C ARG A 30 1.678 11.455 -7.074 1.00 0.00 C ATOM 526 O ARG A 30 1.060 11.540 -8.135 1.00 0.00 O ATOM 527 CB ARG A 30 3.766 10.244 -7.746 1.00 0.00 C ATOM 528 CG ARG A 30 3.331 8.944 -7.094 1.00 0.00 C ATOM 529 CD ARG A 30 4.327 7.827 -7.363 1.00 0.00 C ATOM 530 NE ARG A 30 4.319 7.410 -8.763 1.00 0.00 N ATOM 531 CZ ARG A 30 3.423 6.572 -9.282 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.460 6.064 -8.523 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.490 6.243 -10.565 1.00 0.00 N ATOM 0 H ARG A 30 3.483 10.808 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 30 3.533 12.376 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.450 10.241 -8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.855 10.295 -7.743 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.229 9.091 -6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.349 8.657 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.328 8.161 -7.090 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.092 6.972 -6.729 1.00 0.00 H new ATOM 0 HE ARG A 30 5.042 7.782 -9.379 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.403 6.315 -7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.777 5.423 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.227 6.632 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.804 5.601 -10.963 1.00 0.00 H new ATOM 547 N ARG A 31 1.072 11.334 -5.893 1.00 0.00 N ATOM 548 CA ARG A 31 -0.382 11.293 -5.779 1.00 0.00 C ATOM 549 C ARG A 31 -1.007 12.502 -6.462 1.00 0.00 C ATOM 550 O ARG A 31 -2.135 12.441 -6.949 1.00 0.00 O ATOM 551 CB ARG A 31 -0.801 11.254 -4.310 1.00 0.00 C ATOM 552 CG ARG A 31 -2.306 11.187 -4.105 1.00 0.00 C ATOM 553 CD ARG A 31 -2.665 10.420 -2.842 1.00 0.00 C ATOM 554 NE ARG A 31 -3.052 11.312 -1.751 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.266 11.845 -1.624 1.00 0.00 C ATOM 556 NH1 ARG A 31 -5.209 11.589 -2.521 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.534 12.641 -0.598 1.00 0.00 N ATOM 0 H ARG A 31 1.567 11.263 -5.004 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.736 10.388 -6.273 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.339 10.390 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.414 12.140 -3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.711 12.197 -4.045 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.770 10.708 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.483 9.732 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.813 9.815 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.351 11.540 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.007 10.981 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.137 12.001 -2.417 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.811 12.844 0.092 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.463 13.050 -0.499 1.00 0.00 H new ATOM 571 N GLN A 32 -0.254 13.594 -6.508 1.00 0.00 N ATOM 572 CA GLN A 32 -0.725 14.814 -7.150 1.00 0.00 C ATOM 573 C GLN A 32 -0.493 14.724 -8.651 1.00 0.00 C ATOM 574 O GLN A 32 -1.219 15.322 -9.444 1.00 0.00 O ATOM 575 CB GLN A 32 -0.007 16.037 -6.576 1.00 0.00 C ATOM 576 CG GLN A 32 1.501 16.002 -6.766 1.00 0.00 C ATOM 577 CD GLN A 32 2.178 17.264 -6.270 1.00 0.00 C ATOM 578 OE1 GLN A 32 2.220 18.276 -6.970 1.00 0.00 O ATOM 579 NE2 GLN A 32 2.716 17.209 -5.057 1.00 0.00 N ATOM 0 H GLN A 32 0.683 13.660 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.792 14.924 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.404 16.936 -7.048 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.229 16.112 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.911 15.142 -6.237 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.728 15.863 -7.823 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.658 16.349 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.188 18.027 -4.671 1.00 0.00 H new ATOM 588 N GLN A 33 0.520 13.951 -9.028 1.00 0.00 N ATOM 589 CA GLN A 33 0.851 13.751 -10.427 1.00 0.00 C ATOM 590 C GLN A 33 -0.119 12.766 -11.052 1.00 0.00 C ATOM 591 O GLN A 33 -0.573 12.953 -12.181 1.00 0.00 O ATOM 592 CB GLN A 33 2.284 13.239 -10.561 1.00 0.00 C ATOM 593 CG GLN A 33 3.068 13.921 -11.663 1.00 0.00 C ATOM 594 CD GLN A 33 2.372 13.847 -13.011 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.407 14.799 -13.791 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.733 12.714 -13.294 1.00 0.00 N ATOM 0 H GLN A 33 1.127 13.452 -8.377 1.00 0.00 H new ATOM 0 HA GLN A 33 0.771 14.704 -10.950 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.803 13.383 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.262 12.166 -10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.226 14.966 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.053 13.460 -11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.728 11.949 -12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.248 12.611 -14.185 1.00 0.00 H new ATOM 605 N LEU A 34 -0.456 11.729 -10.297 1.00 0.00 N ATOM 606 CA LEU A 34 -1.397 10.733 -10.764 1.00 0.00 C ATOM 607 C LEU A 34 -2.747 11.391 -10.954 1.00 0.00 C ATOM 608 O LEU A 34 -3.289 11.407 -12.054 1.00 0.00 O ATOM 609 CB LEU A 34 -1.508 9.583 -9.765 1.00 0.00 C ATOM 610 CG LEU A 34 -1.237 8.189 -10.336 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.790 7.244 -9.233 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.474 7.644 -11.042 1.00 0.00 C ATOM 0 H LEU A 34 -0.090 11.560 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.047 10.322 -11.711 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.809 9.765 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.510 9.593 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.435 8.268 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.601 6.257 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.124 7.624 -8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.571 7.172 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.259 6.652 -11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.299 7.579 -10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.750 8.311 -11.859 1.00 0.00 H new ATOM 624 N SER A 35 -3.278 11.950 -9.869 1.00 0.00 N ATOM 625 CA SER A 35 -4.564 12.632 -9.897 1.00 0.00 C ATOM 626 C SER A 35 -4.740 13.438 -11.188 1.00 0.00 C ATOM 627 O SER A 35 -5.855 13.577 -11.693 1.00 0.00 O ATOM 628 CB SER A 35 -4.689 13.562 -8.687 1.00 0.00 C ATOM 629 OG SER A 35 -5.968 14.168 -8.638 1.00 0.00 O ATOM 0 H SER A 35 -2.830 11.942 -8.953 1.00 0.00 H new ATOM 0 HA SER A 35 -5.347 11.874 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.516 12.997 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.920 14.333 -8.736 1.00 0.00 H new ATOM 0 HG SER A 35 -6.318 14.120 -7.724 1.00 0.00 H new ATOM 635 N SER A 36 -3.634 13.968 -11.713 1.00 0.00 N ATOM 636 CA SER A 36 -3.674 14.757 -12.941 1.00 0.00 C ATOM 637 C SER A 36 -3.722 13.862 -14.179 1.00 0.00 C ATOM 638 O SER A 36 -4.241 14.258 -15.222 1.00 0.00 O ATOM 639 CB SER A 36 -2.457 15.681 -13.014 1.00 0.00 C ATOM 640 OG SER A 36 -2.710 16.913 -12.363 1.00 0.00 O ATOM 0 H SER A 36 -2.704 13.865 -11.307 1.00 0.00 H new ATOM 0 HA SER A 36 -4.584 15.357 -12.922 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.598 15.193 -12.553 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.198 15.864 -14.057 1.00 0.00 H new ATOM 0 HG SER A 36 -1.916 17.484 -12.423 1.00 0.00 H new ATOM 646 N GLU A 37 -3.180 12.654 -14.056 1.00 0.00 N ATOM 647 CA GLU A 37 -3.162 11.704 -15.162 1.00 0.00 C ATOM 648 C GLU A 37 -4.549 11.116 -15.396 1.00 0.00 C ATOM 649 O GLU A 37 -5.131 11.284 -16.467 1.00 0.00 O ATOM 650 CB GLU A 37 -2.161 10.582 -14.881 1.00 0.00 C ATOM 651 CG GLU A 37 -1.616 9.922 -16.137 1.00 0.00 C ATOM 652 CD GLU A 37 -2.502 8.797 -16.634 1.00 0.00 C ATOM 653 OE1 GLU A 37 -3.051 8.056 -15.791 1.00 0.00 O ATOM 654 OE2 GLU A 37 -2.647 8.656 -17.867 1.00 0.00 O ATOM 0 H GLU A 37 -2.747 12.310 -13.199 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.857 12.238 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.330 10.985 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.642 9.824 -14.262 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.512 10.672 -16.921 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.618 9.532 -15.935 1.00 0.00 H new ATOM 661 N LEU A 38 -5.080 10.428 -14.386 1.00 0.00 N ATOM 662 CA LEU A 38 -6.409 9.823 -14.498 1.00 0.00 C ATOM 663 C LEU A 38 -7.437 10.871 -14.914 1.00 0.00 C ATOM 664 O LEU A 38 -8.179 10.686 -15.878 1.00 0.00 O ATOM 665 CB LEU A 38 -6.877 9.183 -13.178 1.00 0.00 C ATOM 666 CG LEU A 38 -5.801 8.592 -12.257 1.00 0.00 C ATOM 667 CD1 LEU A 38 -4.767 7.809 -13.040 1.00 0.00 C ATOM 668 CD2 LEU A 38 -5.130 9.676 -11.437 1.00 0.00 C ATOM 0 H LEU A 38 -4.617 10.276 -13.490 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.329 9.041 -15.253 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.425 9.938 -12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.585 8.390 -13.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.302 7.903 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.021 7.405 -12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.255 6.990 -13.569 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.280 8.467 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.372 9.229 -10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.659 10.398 -12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.875 10.181 -10.823 1.00 0.00 H new ATOM 680 N GLY A 39 -7.479 11.966 -14.161 1.00 0.00 N ATOM 681 CA GLY A 39 -8.423 13.030 -14.439 1.00 0.00 C ATOM 682 C GLY A 39 -9.466 13.150 -13.346 1.00 0.00 C ATOM 683 O GLY A 39 -10.633 13.435 -13.615 1.00 0.00 O ATOM 0 H GLY A 39 -6.872 12.134 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.888 13.975 -14.538 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.915 12.841 -15.393 1.00 0.00 H new ATOM 687 N LEU A 40 -9.039 12.919 -12.107 1.00 0.00 N ATOM 688 CA LEU A 40 -9.935 12.987 -10.958 1.00 0.00 C ATOM 689 C LEU A 40 -9.511 14.080 -9.987 1.00 0.00 C ATOM 690 O LEU A 40 -8.778 15.001 -10.346 1.00 0.00 O ATOM 691 CB LEU A 40 -9.986 11.638 -10.232 1.00 0.00 C ATOM 692 CG LEU A 40 -9.107 10.533 -10.799 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.663 10.727 -10.362 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.630 9.199 -10.326 1.00 0.00 C ATOM 0 H LEU A 40 -8.075 12.682 -11.874 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.930 13.229 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.705 11.799 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.018 11.288 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.135 10.567 -11.888 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.047 9.928 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.300 11.689 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.606 10.702 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.006 8.400 -10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.607 9.165 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.655 9.067 -10.672 1.00 0.00 H new ATOM 706 N ASN A 41 -9.990 13.968 -8.754 1.00 0.00 N ATOM 707 CA ASN A 41 -9.675 14.949 -7.719 1.00 0.00 C ATOM 708 C ASN A 41 -8.928 14.309 -6.541 1.00 0.00 C ATOM 709 O ASN A 41 -7.721 14.080 -6.624 1.00 0.00 O ATOM 710 CB ASN A 41 -10.957 15.652 -7.251 1.00 0.00 C ATOM 711 CG ASN A 41 -10.714 16.606 -6.099 1.00 0.00 C ATOM 712 OD1 ASN A 41 -9.898 17.522 -6.195 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.425 16.391 -4.998 1.00 0.00 N ATOM 0 H ASN A 41 -10.597 13.209 -8.445 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.008 15.696 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.391 16.201 -8.087 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.688 14.902 -6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.305 16.998 -4.187 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.091 15.619 -4.963 1.00 0.00 H new ATOM 720 N GLU A 42 -9.632 14.034 -5.440 1.00 0.00 N ATOM 721 CA GLU A 42 -9.000 13.440 -4.265 1.00 0.00 C ATOM 722 C GLU A 42 -9.749 12.196 -3.791 1.00 0.00 C ATOM 723 O GLU A 42 -9.136 11.179 -3.467 1.00 0.00 O ATOM 724 CB GLU A 42 -8.929 14.465 -3.131 1.00 0.00 C ATOM 725 CG GLU A 42 -7.668 15.315 -3.156 1.00 0.00 C ATOM 726 CD GLU A 42 -6.736 15.010 -2.000 1.00 0.00 C ATOM 727 OE1 GLU A 42 -6.986 15.515 -0.886 1.00 0.00 O ATOM 728 OE2 GLU A 42 -5.754 14.265 -2.210 1.00 0.00 O ATOM 0 H GLU A 42 -10.631 14.212 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.992 13.139 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.799 15.119 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.986 13.942 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.141 15.149 -4.096 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.944 16.369 -3.127 1.00 0.00 H new ATOM 735 N ALA A 43 -11.076 12.282 -3.747 1.00 0.00 N ATOM 736 CA ALA A 43 -11.897 11.157 -3.306 1.00 0.00 C ATOM 737 C ALA A 43 -11.936 10.043 -4.346 1.00 0.00 C ATOM 738 O ALA A 43 -12.535 8.994 -4.116 1.00 0.00 O ATOM 739 CB ALA A 43 -13.308 11.618 -2.994 1.00 0.00 C ATOM 0 H ALA A 43 -11.604 13.114 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.439 10.758 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.905 10.767 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.279 12.367 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.755 12.053 -3.888 1.00 0.00 H new ATOM 745 N GLN A 44 -11.293 10.268 -5.485 1.00 0.00 N ATOM 746 CA GLN A 44 -11.251 9.271 -6.543 1.00 0.00 C ATOM 747 C GLN A 44 -9.865 8.644 -6.603 1.00 0.00 C ATOM 748 O GLN A 44 -9.697 7.529 -7.092 1.00 0.00 O ATOM 749 CB GLN A 44 -11.607 9.891 -7.897 1.00 0.00 C ATOM 750 CG GLN A 44 -12.974 10.562 -7.933 1.00 0.00 C ATOM 751 CD GLN A 44 -13.067 11.791 -7.045 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.152 12.158 -6.594 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.935 12.437 -6.787 1.00 0.00 N ATOM 0 H GLN A 44 -10.794 11.132 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.988 8.500 -6.320 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.846 10.626 -8.159 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.575 9.113 -8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.204 10.847 -8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.732 9.842 -7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.055 12.101 -7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.946 13.269 -6.196 1.00 0.00 H new ATOM 762 N ILE A 45 -8.876 9.364 -6.075 1.00 0.00 N ATOM 763 CA ILE A 45 -7.514 8.882 -6.039 1.00 0.00 C ATOM 764 C ILE A 45 -7.464 7.573 -5.290 1.00 0.00 C ATOM 765 O ILE A 45 -7.121 6.532 -5.847 1.00 0.00 O ATOM 766 CB ILE A 45 -6.599 9.914 -5.348 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.715 11.261 -6.048 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.156 9.448 -5.355 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.229 11.211 -7.473 1.00 0.00 C ATOM 0 H ILE A 45 -9.004 10.289 -5.666 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.163 8.732 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.920 10.018 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.755 11.587 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.140 12.005 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.531 10.193 -4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.077 8.499 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.821 9.317 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.333 12.196 -7.928 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.181 10.912 -7.490 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.821 10.488 -8.034 1.00 0.00 H new ATOM 781 N LYS A 46 -7.847 7.633 -4.027 1.00 0.00 N ATOM 782 CA LYS A 46 -7.876 6.448 -3.182 1.00 0.00 C ATOM 783 C LYS A 46 -8.777 5.374 -3.790 1.00 0.00 C ATOM 784 O LYS A 46 -8.731 4.211 -3.391 1.00 0.00 O ATOM 785 CB LYS A 46 -8.369 6.806 -1.779 1.00 0.00 C ATOM 786 CG LYS A 46 -9.802 7.313 -1.749 1.00 0.00 C ATOM 787 CD LYS A 46 -10.428 7.129 -0.376 1.00 0.00 C ATOM 788 CE LYS A 46 -9.706 7.950 0.680 1.00 0.00 C ATOM 789 NZ LYS A 46 -10.559 8.188 1.878 1.00 0.00 N ATOM 0 H LYS A 46 -8.143 8.491 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.862 6.055 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.290 5.927 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.714 7.568 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.822 8.368 -2.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.393 6.781 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.477 7.422 -0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.400 6.075 -0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.794 7.434 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.405 8.907 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.030 8.751 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.417 8.703 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.826 7.276 2.301 1.00 0.00 H new ATOM 803 N ILE A 47 -9.620 5.782 -4.740 1.00 0.00 N ATOM 804 CA ILE A 47 -10.555 4.870 -5.380 1.00 0.00 C ATOM 805 C ILE A 47 -9.904 3.946 -6.415 1.00 0.00 C ATOM 806 O ILE A 47 -10.271 2.774 -6.492 1.00 0.00 O ATOM 807 CB ILE A 47 -11.726 5.663 -6.019 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.944 5.623 -5.098 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.085 5.146 -7.406 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.714 6.328 -3.781 1.00 0.00 C ATOM 0 H ILE A 47 -9.670 6.742 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.936 4.219 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.398 6.695 -6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.792 6.083 -5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.213 4.584 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.909 5.733 -7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.220 5.235 -8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.383 4.100 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.616 6.264 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.886 5.854 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.474 7.375 -3.966 1.00 0.00 H new ATOM 822 N TRP A 48 -8.962 4.441 -7.224 1.00 0.00 N ATOM 823 CA TRP A 48 -8.356 3.558 -8.226 1.00 0.00 C ATOM 824 C TRP A 48 -7.382 2.565 -7.594 1.00 0.00 C ATOM 825 O TRP A 48 -7.385 1.390 -7.963 1.00 0.00 O ATOM 826 CB TRP A 48 -7.690 4.301 -9.394 1.00 0.00 C ATOM 827 CG TRP A 48 -7.310 5.716 -9.126 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.133 6.797 -9.099 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.996 6.202 -8.881 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.406 7.929 -8.837 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.088 7.586 -8.697 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.754 5.595 -8.793 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.972 8.371 -8.428 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.649 6.368 -8.528 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.764 7.747 -8.345 1.00 0.00 C ATOM 0 H TRP A 48 -8.615 5.400 -7.210 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.192 3.004 -8.654 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.794 3.753 -9.686 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.368 4.281 -10.247 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.201 6.768 -9.260 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.785 8.873 -8.759 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.655 4.528 -8.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.060 9.438 -8.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.677 5.902 -8.460 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.879 8.330 -8.134 1.00 0.00 H new ATOM 846 N PHE A 49 -6.561 3.002 -6.631 1.00 0.00 N ATOM 847 CA PHE A 49 -5.638 2.062 -5.991 1.00 0.00 C ATOM 848 C PHE A 49 -6.437 0.919 -5.387 1.00 0.00 C ATOM 849 O PHE A 49 -5.990 -0.229 -5.375 1.00 0.00 O ATOM 850 CB PHE A 49 -4.786 2.700 -4.888 1.00 0.00 C ATOM 851 CG PHE A 49 -4.337 4.100 -5.149 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.132 4.352 -5.782 1.00 0.00 C ATOM 853 CD2 PHE A 49 -5.105 5.163 -4.734 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.710 5.648 -5.995 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.694 6.452 -4.943 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.494 6.704 -5.574 1.00 0.00 C ATOM 0 H PHE A 49 -6.516 3.962 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.955 1.714 -6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.357 2.688 -3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.905 2.078 -4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.517 3.527 -6.112 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.045 4.978 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.769 5.836 -6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.312 7.274 -4.613 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.169 7.721 -5.738 1.00 0.00 H new ATOM 866 N GLN A 50 -7.637 1.239 -4.897 1.00 0.00 N ATOM 867 CA GLN A 50 -8.509 0.231 -4.306 1.00 0.00 C ATOM 868 C GLN A 50 -8.653 -0.953 -5.255 1.00 0.00 C ATOM 869 O GLN A 50 -8.862 -2.088 -4.828 1.00 0.00 O ATOM 870 CB GLN A 50 -9.883 0.829 -3.994 1.00 0.00 C ATOM 871 CG GLN A 50 -10.179 0.930 -2.506 1.00 0.00 C ATOM 872 CD GLN A 50 -11.666 0.982 -2.210 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.402 0.040 -2.503 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.116 2.088 -1.628 1.00 0.00 N ATOM 0 H GLN A 50 -8.022 2.184 -4.899 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.063 -0.114 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.946 1.823 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.652 0.219 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.740 0.075 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.701 1.823 -2.104 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.470 2.845 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.107 2.181 -1.407 1.00 0.00 H new ATOM 883 N ASN A 51 -8.521 -0.674 -6.549 1.00 0.00 N ATOM 884 CA ASN A 51 -8.615 -1.704 -7.570 1.00 0.00 C ATOM 885 C ASN A 51 -7.252 -2.345 -7.800 1.00 0.00 C ATOM 886 O ASN A 51 -7.158 -3.526 -8.135 1.00 0.00 O ATOM 887 CB ASN A 51 -9.144 -1.112 -8.878 1.00 0.00 C ATOM 888 CG ASN A 51 -10.522 -0.500 -8.721 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.533 -1.126 -9.044 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.570 0.730 -8.224 1.00 0.00 N ATOM 0 H ASN A 51 -8.348 0.263 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.311 -2.469 -7.226 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.450 -0.351 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.181 -1.892 -9.638 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.469 1.194 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.707 1.211 -7.970 1.00 0.00 H new