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 Set 1.1: A 41 ASN : amide:sc= -2 K(o=-9.4,f=-4.6!) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.43! K(o=-9.4!,f=-3.7) USER MOD Single : A 23 ASN : amide:sc= 0.382 K(o=0.38,f=-0.83) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 32 GLN : amide:sc= -1.04 K(o=-1,f=-0.17) USER MOD Single : A 33 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.057) USER MOD Single : A 35 SER OG : rot 9:sc= -1.41! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.47) USER MOD Single : A 51 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 4.456 3.182 0.347 1.00 0.00 N ATOM 393 CA ASN A 23 3.471 3.994 -0.351 1.00 0.00 C ATOM 394 C ASN A 23 2.912 5.062 0.577 1.00 0.00 C ATOM 395 O ASN A 23 1.715 5.346 0.586 1.00 0.00 O ATOM 396 CB ASN A 23 2.347 3.124 -0.930 1.00 0.00 C ATOM 397 CG ASN A 23 1.607 2.319 0.114 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.701 1.091 0.142 1.00 0.00 O ATOM 399 ND2 ASN A 23 0.851 2.997 0.968 1.00 0.00 N ATOM 0 HA ASN A 23 3.966 4.490 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.637 3.764 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.770 2.444 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.319 2.501 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.802 4.014 0.909 1.00 0.00 H new ATOM 406 N ARG A 24 3.807 5.648 1.357 1.00 0.00 N ATOM 407 CA ARG A 24 3.457 6.690 2.310 1.00 0.00 C ATOM 408 C ARG A 24 3.776 8.066 1.735 1.00 0.00 C ATOM 409 O ARG A 24 3.003 9.015 1.865 1.00 0.00 O ATOM 410 CB ARG A 24 4.252 6.449 3.602 1.00 0.00 C ATOM 411 CG ARG A 24 5.020 7.658 4.125 1.00 0.00 C ATOM 412 CD ARG A 24 4.086 8.718 4.687 1.00 0.00 C ATOM 413 NE ARG A 24 4.729 10.028 4.763 1.00 0.00 N ATOM 414 CZ ARG A 24 4.307 11.018 5.548 1.00 0.00 C ATOM 415 NH1 ARG A 24 3.240 10.853 6.320 1.00 0.00 N ATOM 416 NH2 ARG A 24 4.953 12.176 5.560 1.00 0.00 N ATOM 0 H ARG A 24 4.800 5.414 1.347 1.00 0.00 H new ATOM 0 HA ARG A 24 2.388 6.658 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.563 6.113 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.958 5.637 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.717 7.339 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.615 8.088 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.196 8.786 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.754 8.419 5.681 1.00 0.00 H new ATOM 0 HE ARG A 24 5.550 10.194 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.739 9.965 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.921 11.615 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.773 12.309 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.630 12.934 6.161 1.00 0.00 H new ATOM 430 N TYR A 25 4.940 8.148 1.115 1.00 0.00 N ATOM 431 CA TYR A 25 5.431 9.383 0.518 1.00 0.00 C ATOM 432 C TYR A 25 4.792 9.647 -0.850 1.00 0.00 C ATOM 433 O TYR A 25 4.402 10.773 -1.148 1.00 0.00 O ATOM 434 CB TYR A 25 6.945 9.289 0.358 1.00 0.00 C ATOM 435 CG TYR A 25 7.316 8.400 -0.794 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.162 7.023 -0.707 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.759 8.941 -1.988 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.447 6.212 -1.778 1.00 0.00 C ATOM 439 CE2 TYR A 25 8.055 8.139 -3.065 1.00 0.00 C ATOM 440 CZ TYR A 25 7.895 6.770 -2.960 1.00 0.00 C ATOM 441 OH TYR A 25 8.182 5.961 -4.035 1.00 0.00 O ATOM 0 H TYR A 25 5.576 7.358 1.010 1.00 0.00 H new ATOM 0 HA TYR A 25 5.163 10.209 1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.359 10.285 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.387 8.902 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.813 6.583 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.874 10.011 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.321 5.142 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.410 8.576 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 25 8.484 6.512 -4.787 1.00 0.00 H new ATOM 451 N LEU A 26 4.704 8.604 -1.684 1.00 0.00 N ATOM 452 CA LEU A 26 4.124 8.733 -3.023 1.00 0.00 C ATOM 453 C LEU A 26 2.776 9.428 -2.949 1.00 0.00 C ATOM 454 O LEU A 26 2.350 10.101 -3.888 1.00 0.00 O ATOM 455 CB LEU A 26 3.970 7.363 -3.692 1.00 0.00 C ATOM 456 CG LEU A 26 3.611 6.206 -2.760 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.101 6.072 -2.618 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.219 4.910 -3.272 1.00 0.00 C ATOM 0 H LEU A 26 5.027 7.664 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 26 4.804 9.335 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.200 7.439 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.904 7.120 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 26 4.024 6.418 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.871 5.242 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.691 6.994 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.659 5.884 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.956 4.094 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.834 4.697 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.304 5.009 -3.315 1.00 0.00 H new ATOM 470 N THR A 27 2.126 9.274 -1.808 1.00 0.00 N ATOM 471 CA THR A 27 0.836 9.896 -1.564 1.00 0.00 C ATOM 472 C THR A 27 0.974 11.417 -1.639 1.00 0.00 C ATOM 473 O THR A 27 -0.002 12.137 -1.848 1.00 0.00 O ATOM 474 CB THR A 27 0.311 9.456 -0.197 1.00 0.00 C ATOM 475 OG1 THR A 27 0.845 10.268 0.834 1.00 0.00 O ATOM 476 CG2 THR A 27 0.653 8.013 0.127 1.00 0.00 C ATOM 0 H THR A 27 2.476 8.717 -1.028 1.00 0.00 H new ATOM 0 HA THR A 27 0.122 9.582 -2.325 1.00 0.00 H new ATOM 0 HB THR A 27 -0.773 9.559 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.722 9.922 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.255 7.756 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.214 7.357 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.736 7.888 0.130 1.00 0.00 H new ATOM 484 N GLU A 28 2.209 11.889 -1.481 1.00 0.00 N ATOM 485 CA GLU A 28 2.520 13.310 -1.544 1.00 0.00 C ATOM 486 C GLU A 28 3.792 13.546 -2.368 1.00 0.00 C ATOM 487 O GLU A 28 4.357 14.640 -2.355 1.00 0.00 O ATOM 488 CB GLU A 28 2.702 13.874 -0.133 1.00 0.00 C ATOM 489 CG GLU A 28 1.473 14.593 0.399 1.00 0.00 C ATOM 490 CD GLU A 28 1.267 15.950 -0.245 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.495 16.068 -1.468 1.00 0.00 O ATOM 492 OE2 GLU A 28 0.880 16.896 0.473 1.00 0.00 O ATOM 0 H GLU A 28 3.020 11.295 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 28 1.689 13.823 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.958 13.059 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.545 14.565 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.592 13.975 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.568 14.718 1.478 1.00 0.00 H new ATOM 499 N ARG A 29 4.239 12.508 -3.080 1.00 0.00 N ATOM 500 CA ARG A 29 5.442 12.593 -3.905 1.00 0.00 C ATOM 501 C ARG A 29 5.131 12.265 -5.363 1.00 0.00 C ATOM 502 O ARG A 29 5.781 12.773 -6.277 1.00 0.00 O ATOM 503 CB ARG A 29 6.520 11.644 -3.374 1.00 0.00 C ATOM 504 CG ARG A 29 7.893 12.290 -3.269 1.00 0.00 C ATOM 505 CD ARG A 29 8.710 12.080 -4.535 1.00 0.00 C ATOM 506 NE ARG A 29 8.928 13.330 -5.260 1.00 0.00 N ATOM 507 CZ ARG A 29 9.793 14.268 -4.877 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.514 14.104 -3.775 1.00 0.00 N ATOM 509 NH2 ARG A 29 9.934 15.372 -5.596 1.00 0.00 N ATOM 0 H ARG A 29 3.782 11.596 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 29 5.812 13.617 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.221 11.280 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.584 10.775 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.780 13.358 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.428 11.872 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.672 11.639 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.197 11.369 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 29 8.386 13.494 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.407 13.257 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.175 14.825 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.380 15.504 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.596 16.090 -5.303 1.00 0.00 H new ATOM 523 N ARG A 30 4.131 11.413 -5.572 1.00 0.00 N ATOM 524 CA ARG A 30 3.728 11.016 -6.913 1.00 0.00 C ATOM 525 C ARG A 30 2.222 10.771 -6.976 1.00 0.00 C ATOM 526 O ARG A 30 1.732 10.097 -7.880 1.00 0.00 O ATOM 527 CB ARG A 30 4.475 9.753 -7.338 1.00 0.00 C ATOM 528 CG ARG A 30 4.172 8.553 -6.456 1.00 0.00 C ATOM 529 CD ARG A 30 3.408 7.476 -7.211 1.00 0.00 C ATOM 530 NE ARG A 30 4.224 6.285 -7.437 1.00 0.00 N ATOM 531 CZ ARG A 30 3.885 5.302 -8.269 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.751 5.364 -8.955 1.00 0.00 N ATOM 533 NH2 ARG A 30 4.685 4.254 -8.414 1.00 0.00 N ATOM 0 H ARG A 30 3.585 10.984 -4.825 1.00 0.00 H new ATOM 0 HA ARG A 30 3.978 11.827 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.214 9.513 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.547 9.949 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.105 8.137 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.590 8.874 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.515 7.203 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.072 7.873 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 30 5.104 6.202 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.133 6.168 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.497 4.608 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.558 4.202 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.427 3.500 -9.051 1.00 0.00 H new ATOM 547 N ARG A 31 1.489 11.330 -6.015 1.00 0.00 N ATOM 548 CA ARG A 31 0.041 11.177 -5.980 1.00 0.00 C ATOM 549 C ARG A 31 -0.613 12.281 -6.792 1.00 0.00 C ATOM 550 O ARG A 31 -1.527 12.034 -7.579 1.00 0.00 O ATOM 551 CB ARG A 31 -0.477 11.207 -4.542 1.00 0.00 C ATOM 552 CG ARG A 31 -1.950 10.844 -4.424 1.00 0.00 C ATOM 553 CD ARG A 31 -2.358 10.604 -2.978 1.00 0.00 C ATOM 554 NE ARG A 31 -3.001 9.304 -2.799 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.762 8.993 -1.753 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.980 9.883 -0.793 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.307 7.787 -1.665 1.00 0.00 N ATOM 0 H ARG A 31 1.874 11.890 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.214 10.210 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.110 10.515 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.321 12.203 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.557 11.646 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.152 9.949 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.478 10.664 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.039 11.392 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.858 8.594 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.563 10.812 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.564 9.638 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.143 7.098 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.890 7.548 -0.863 1.00 0.00 H new ATOM 571 N GLN A 32 -0.121 13.501 -6.611 1.00 0.00 N ATOM 572 CA GLN A 32 -0.640 14.647 -7.344 1.00 0.00 C ATOM 573 C GLN A 32 -0.468 14.423 -8.841 1.00 0.00 C ATOM 574 O GLN A 32 -1.248 14.925 -9.650 1.00 0.00 O ATOM 575 CB GLN A 32 0.080 15.928 -6.917 1.00 0.00 C ATOM 576 CG GLN A 32 -0.570 16.625 -5.732 1.00 0.00 C ATOM 577 CD GLN A 32 -0.749 15.706 -4.540 1.00 0.00 C ATOM 578 OE1 GLN A 32 -1.846 15.581 -3.998 1.00 0.00 O ATOM 579 NE2 GLN A 32 0.333 15.055 -4.125 1.00 0.00 N ATOM 0 H GLN A 32 0.636 13.721 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.701 14.756 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.113 15.688 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.110 16.617 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.040 17.479 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.542 17.016 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.224 15.188 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.273 14.422 -3.327 1.00 0.00 H new ATOM 588 N GLN A 33 0.559 13.654 -9.200 1.00 0.00 N ATOM 589 CA GLN A 33 0.832 13.348 -10.595 1.00 0.00 C ATOM 590 C GLN A 33 -0.262 12.469 -11.163 1.00 0.00 C ATOM 591 O GLN A 33 -0.636 12.587 -12.330 1.00 0.00 O ATOM 592 CB GLN A 33 2.191 12.652 -10.734 1.00 0.00 C ATOM 593 CG GLN A 33 2.198 11.188 -10.320 1.00 0.00 C ATOM 594 CD GLN A 33 2.369 10.248 -11.498 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.490 9.951 -11.912 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.256 9.776 -12.045 1.00 0.00 N ATOM 0 H GLN A 33 1.213 13.233 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 33 0.859 14.283 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.517 12.724 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.923 13.190 -10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.005 11.020 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.265 10.955 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.348 10.049 -11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.309 9.140 -12.841 1.00 0.00 H new ATOM 605 N LEU A 34 -0.779 11.596 -10.319 1.00 0.00 N ATOM 606 CA LEU A 34 -1.839 10.702 -10.712 1.00 0.00 C ATOM 607 C LEU A 34 -3.124 11.483 -10.867 1.00 0.00 C ATOM 608 O LEU A 34 -3.699 11.546 -11.951 1.00 0.00 O ATOM 609 CB LEU A 34 -2.021 9.624 -9.663 1.00 0.00 C ATOM 610 CG LEU A 34 -1.160 8.381 -9.850 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.676 7.870 -8.503 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.945 7.309 -10.586 1.00 0.00 C ATOM 0 H LEU A 34 -0.476 11.491 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.581 10.234 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.804 10.052 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.068 9.322 -9.654 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.287 8.640 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.062 6.982 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.085 8.643 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.534 7.619 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.321 6.425 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.832 7.046 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.247 7.685 -11.563 1.00 0.00 H new ATOM 624 N SER A 35 -3.566 12.088 -9.767 1.00 0.00 N ATOM 625 CA SER A 35 -4.778 12.881 -9.773 1.00 0.00 C ATOM 626 C SER A 35 -4.824 13.797 -10.997 1.00 0.00 C ATOM 627 O SER A 35 -5.899 14.131 -11.496 1.00 0.00 O ATOM 628 CB SER A 35 -4.870 13.719 -8.496 1.00 0.00 C ATOM 629 OG SER A 35 -6.159 14.291 -8.351 1.00 0.00 O ATOM 0 H SER A 35 -3.097 12.040 -8.862 1.00 0.00 H new ATOM 0 HA SER A 35 -5.627 12.199 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.647 13.094 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.119 14.509 -8.521 1.00 0.00 H new ATOM 0 HG SER A 35 -6.762 13.914 -9.025 1.00 0.00 H new ATOM 635 N SER A 36 -3.644 14.202 -11.479 1.00 0.00 N ATOM 636 CA SER A 36 -3.555 15.079 -12.643 1.00 0.00 C ATOM 637 C SER A 36 -3.442 14.271 -13.936 1.00 0.00 C ATOM 638 O SER A 36 -3.834 14.739 -15.004 1.00 0.00 O ATOM 639 CB SER A 36 -2.354 16.016 -12.509 1.00 0.00 C ATOM 640 OG SER A 36 -2.660 17.311 -12.997 1.00 0.00 O ATOM 0 H SER A 36 -2.743 13.936 -11.081 1.00 0.00 H new ATOM 0 HA SER A 36 -4.469 15.670 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.054 16.080 -11.463 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.507 15.607 -13.060 1.00 0.00 H new ATOM 0 HG SER A 36 -1.876 17.891 -12.898 1.00 0.00 H new ATOM 646 N GLU A 37 -2.909 13.056 -13.832 1.00 0.00 N ATOM 647 CA GLU A 37 -2.751 12.186 -14.994 1.00 0.00 C ATOM 648 C GLU A 37 -3.779 11.056 -14.972 1.00 0.00 C ATOM 649 O GLU A 37 -3.601 10.030 -15.627 1.00 0.00 O ATOM 650 CB GLU A 37 -1.337 11.602 -15.030 1.00 0.00 C ATOM 651 CG GLU A 37 -0.868 11.230 -16.427 1.00 0.00 C ATOM 652 CD GLU A 37 0.211 10.165 -16.414 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.139 8.965 -16.399 1.00 0.00 O ATOM 654 OE2 GLU A 37 1.405 10.528 -16.419 1.00 0.00 O ATOM 0 H GLU A 37 -2.579 12.652 -12.955 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.914 12.785 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.643 12.326 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.303 10.716 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.718 10.874 -17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.489 12.120 -16.928 1.00 0.00 H new ATOM 661 N LEU A 38 -4.852 11.257 -14.214 1.00 0.00 N ATOM 662 CA LEU A 38 -5.913 10.264 -14.100 1.00 0.00 C ATOM 663 C LEU A 38 -7.232 10.836 -14.605 1.00 0.00 C ATOM 664 O LEU A 38 -7.985 10.167 -15.313 1.00 0.00 O ATOM 665 CB LEU A 38 -6.077 9.831 -12.640 1.00 0.00 C ATOM 666 CG LEU A 38 -5.410 8.511 -12.253 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.970 7.367 -13.077 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.902 8.607 -12.410 1.00 0.00 C ATOM 0 H LEU A 38 -5.010 12.103 -13.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.640 9.401 -14.707 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.677 10.618 -12.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.142 9.754 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.628 8.310 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.482 6.436 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.043 7.284 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.788 7.557 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.446 7.658 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.658 8.834 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.519 9.398 -11.765 1.00 0.00 H new ATOM 680 N GLY A 39 -7.509 12.078 -14.218 1.00 0.00 N ATOM 681 CA GLY A 39 -8.741 12.726 -14.618 1.00 0.00 C ATOM 682 C GLY A 39 -9.785 12.669 -13.521 1.00 0.00 C ATOM 683 O GLY A 39 -10.978 12.542 -13.793 1.00 0.00 O ATOM 0 H GLY A 39 -6.898 12.647 -13.632 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.539 13.766 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.130 12.246 -15.516 1.00 0.00 H new ATOM 687 N LEU A 40 -9.326 12.753 -12.275 1.00 0.00 N ATOM 688 CA LEU A 40 -10.219 12.698 -11.123 1.00 0.00 C ATOM 689 C LEU A 40 -10.061 13.920 -10.232 1.00 0.00 C ATOM 690 O LEU A 40 -9.569 14.963 -10.661 1.00 0.00 O ATOM 691 CB LEU A 40 -9.973 11.429 -10.300 1.00 0.00 C ATOM 692 CG LEU A 40 -8.948 10.451 -10.854 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.570 10.750 -10.276 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.382 9.048 -10.508 1.00 0.00 C ATOM 0 H LEU A 40 -8.340 12.860 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.238 12.683 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.656 11.726 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.922 10.904 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.884 10.552 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.845 10.043 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.276 11.765 -10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.602 10.656 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.656 8.336 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.446 8.943 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.359 8.850 -10.949 1.00 0.00 H new ATOM 706 N ASN A 41 -10.493 13.775 -8.986 1.00 0.00 N ATOM 707 CA ASN A 41 -10.413 14.865 -8.016 1.00 0.00 C ATOM 708 C ASN A 41 -9.633 14.456 -6.765 1.00 0.00 C ATOM 709 O ASN A 41 -8.434 14.715 -6.665 1.00 0.00 O ATOM 710 CB ASN A 41 -11.815 15.379 -7.640 1.00 0.00 C ATOM 711 CG ASN A 41 -12.913 14.809 -8.520 1.00 0.00 C ATOM 712 OD1 ASN A 41 -12.770 14.727 -9.740 1.00 0.00 O ATOM 713 ND2 ASN A 41 -14.021 14.415 -7.901 1.00 0.00 N ATOM 0 H ASN A 41 -10.902 12.915 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.867 15.679 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.022 15.125 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.828 16.467 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.795 14.026 -8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.097 14.501 -6.887 1.00 0.00 H new ATOM 720 N GLU A 42 -10.311 13.824 -5.811 1.00 0.00 N ATOM 721 CA GLU A 42 -9.668 13.396 -4.575 1.00 0.00 C ATOM 722 C GLU A 42 -10.295 12.106 -4.061 1.00 0.00 C ATOM 723 O GLU A 42 -9.592 11.163 -3.699 1.00 0.00 O ATOM 724 CB GLU A 42 -9.782 14.491 -3.510 1.00 0.00 C ATOM 725 CG GLU A 42 -8.627 15.479 -3.526 1.00 0.00 C ATOM 726 CD GLU A 42 -8.475 16.217 -2.209 1.00 0.00 C ATOM 727 OE1 GLU A 42 -8.809 15.631 -1.158 1.00 0.00 O ATOM 728 OE2 GLU A 42 -8.021 17.380 -2.231 1.00 0.00 O ATOM 0 H GLU A 42 -11.304 13.598 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.614 13.212 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.716 15.034 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.837 14.025 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.702 14.948 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.782 16.201 -4.328 1.00 0.00 H new ATOM 735 N ALA A 43 -11.623 12.071 -4.039 1.00 0.00 N ATOM 736 CA ALA A 43 -12.346 10.896 -3.577 1.00 0.00 C ATOM 737 C ALA A 43 -12.159 9.723 -4.529 1.00 0.00 C ATOM 738 O ALA A 43 -12.499 8.591 -4.197 1.00 0.00 O ATOM 739 CB ALA A 43 -13.823 11.209 -3.420 1.00 0.00 C ATOM 0 H ALA A 43 -12.219 12.844 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.938 10.615 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.349 10.319 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.950 12.011 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.233 11.522 -4.380 1.00 0.00 H new ATOM 745 N GLN A 44 -11.603 9.990 -5.708 1.00 0.00 N ATOM 746 CA GLN A 44 -11.365 8.936 -6.683 1.00 0.00 C ATOM 747 C GLN A 44 -9.921 8.464 -6.596 1.00 0.00 C ATOM 748 O GLN A 44 -9.588 7.362 -7.027 1.00 0.00 O ATOM 749 CB GLN A 44 -11.675 9.411 -8.104 1.00 0.00 C ATOM 750 CG GLN A 44 -13.114 9.864 -8.301 1.00 0.00 C ATOM 751 CD GLN A 44 -13.421 11.215 -7.671 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.585 11.566 -7.483 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.386 11.983 -7.342 1.00 0.00 N ATOM 0 H GLN A 44 -11.312 10.921 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.033 8.106 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.007 10.235 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.460 8.602 -8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.327 9.914 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.783 9.115 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.435 11.658 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.544 12.897 -6.918 1.00 0.00 H new ATOM 762 N ILE A 45 -9.068 9.303 -6.013 1.00 0.00 N ATOM 763 CA ILE A 45 -7.675 8.978 -5.841 1.00 0.00 C ATOM 764 C ILE A 45 -7.546 7.687 -5.069 1.00 0.00 C ATOM 765 O ILE A 45 -7.035 6.691 -5.577 1.00 0.00 O ATOM 766 CB ILE A 45 -6.951 10.118 -5.089 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.166 11.435 -5.820 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.468 9.835 -4.963 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.588 11.417 -7.210 1.00 0.00 C ATOM 0 H ILE A 45 -9.332 10.220 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.214 8.857 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.370 10.185 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.234 11.647 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.709 12.244 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.985 10.654 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.320 8.906 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.030 9.741 -5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.767 12.379 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.515 11.232 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.063 10.627 -7.791 1.00 0.00 H new ATOM 781 N LYS A 46 -8.051 7.704 -3.852 1.00 0.00 N ATOM 782 CA LYS A 46 -8.022 6.522 -3.002 1.00 0.00 C ATOM 783 C LYS A 46 -8.770 5.363 -3.658 1.00 0.00 C ATOM 784 O LYS A 46 -8.659 4.216 -3.226 1.00 0.00 O ATOM 785 CB LYS A 46 -8.640 6.835 -1.640 1.00 0.00 C ATOM 786 CG LYS A 46 -7.951 7.975 -0.908 1.00 0.00 C ATOM 787 CD LYS A 46 -8.397 8.057 0.543 1.00 0.00 C ATOM 788 CE LYS A 46 -9.413 9.169 0.751 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.212 9.867 2.051 1.00 0.00 N ATOM 0 H LYS A 46 -8.487 8.521 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.981 6.229 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.692 7.085 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.603 5.940 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.871 7.835 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.171 8.917 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.832 7.104 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.531 8.230 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.335 9.889 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.420 8.753 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.924 10.618 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.311 9.185 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.261 10.286 2.077 1.00 0.00 H new ATOM 803 N ILE A 47 -9.558 5.675 -4.689 1.00 0.00 N ATOM 804 CA ILE A 47 -10.348 4.665 -5.379 1.00 0.00 C ATOM 805 C ILE A 47 -9.535 3.804 -6.351 1.00 0.00 C ATOM 806 O ILE A 47 -9.806 2.608 -6.467 1.00 0.00 O ATOM 807 CB ILE A 47 -11.546 5.316 -6.119 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.813 5.194 -5.272 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.767 4.704 -7.498 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.734 5.959 -3.971 1.00 0.00 C ATOM 0 H ILE A 47 -9.663 6.619 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.715 3.994 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.310 6.370 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.664 5.557 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.999 4.142 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.615 5.190 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.874 4.846 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.970 3.638 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.664 5.832 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.903 5.581 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.578 7.017 -4.180 1.00 0.00 H new ATOM 822 N TRP A 48 -8.560 4.371 -7.068 1.00 0.00 N ATOM 823 CA TRP A 48 -7.805 3.535 -8.007 1.00 0.00 C ATOM 824 C TRP A 48 -6.786 2.647 -7.291 1.00 0.00 C ATOM 825 O TRP A 48 -6.551 1.519 -7.722 1.00 0.00 O ATOM 826 CB TRP A 48 -7.135 4.324 -9.145 1.00 0.00 C ATOM 827 CG TRP A 48 -6.959 5.781 -8.902 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.901 6.754 -8.999 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.746 6.429 -8.562 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.345 7.974 -8.719 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.018 7.797 -8.446 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.455 5.977 -8.334 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.039 8.718 -8.111 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.487 6.887 -8.003 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.784 8.247 -7.891 1.00 0.00 C ATOM 0 H TRP A 48 -8.284 5.352 -7.024 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.552 2.895 -8.476 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.156 3.886 -9.339 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.728 4.194 -10.051 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.936 6.590 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.839 8.866 -8.715 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.217 4.927 -8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.265 9.771 -8.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.477 6.547 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.999 8.939 -7.624 1.00 0.00 H new ATOM 846 N PHE A 49 -6.198 3.119 -6.186 1.00 0.00 N ATOM 847 CA PHE A 49 -5.246 2.279 -5.456 1.00 0.00 C ATOM 848 C PHE A 49 -5.986 1.100 -4.852 1.00 0.00 C ATOM 849 O PHE A 49 -5.514 -0.037 -4.903 1.00 0.00 O ATOM 850 CB PHE A 49 -4.514 3.028 -4.337 1.00 0.00 C ATOM 851 CG PHE A 49 -4.078 4.409 -4.686 1.00 0.00 C ATOM 852 CD1 PHE A 49 -4.935 5.468 -4.513 1.00 0.00 C ATOM 853 CD2 PHE A 49 -2.805 4.649 -5.173 1.00 0.00 C ATOM 854 CE1 PHE A 49 -4.545 6.743 -4.822 1.00 0.00 C ATOM 855 CE2 PHE A 49 -2.403 5.930 -5.483 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.280 6.986 -5.308 1.00 0.00 C ATOM 0 H PHE A 49 -6.357 4.045 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.493 1.954 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.167 3.078 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.638 2.449 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.929 5.293 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.121 3.825 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.234 7.563 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.407 6.109 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.974 7.993 -5.551 1.00 0.00 H new ATOM 866 N GLN A 50 -7.162 1.374 -4.288 1.00 0.00 N ATOM 867 CA GLN A 50 -7.968 0.319 -3.691 1.00 0.00 C ATOM 868 C GLN A 50 -8.374 -0.679 -4.765 1.00 0.00 C ATOM 869 O GLN A 50 -8.513 -1.874 -4.502 1.00 0.00 O ATOM 870 CB GLN A 50 -9.206 0.902 -3.006 1.00 0.00 C ATOM 871 CG GLN A 50 -10.178 1.560 -3.966 1.00 0.00 C ATOM 872 CD GLN A 50 -11.533 1.821 -3.338 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.481 1.064 -3.544 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.629 2.897 -2.565 1.00 0.00 N ATOM 0 H GLN A 50 -7.571 2.307 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.375 -0.192 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.722 0.106 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.889 1.635 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.756 2.503 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.304 0.924 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.816 3.497 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.515 3.124 -2.114 1.00 0.00 H new ATOM 883 N ASN A 51 -8.538 -0.177 -5.985 1.00 0.00 N ATOM 884 CA ASN A 51 -8.897 -1.016 -7.115 1.00 0.00 C ATOM 885 C ASN A 51 -7.654 -1.721 -7.645 1.00 0.00 C ATOM 886 O ASN A 51 -7.729 -2.844 -8.140 1.00 0.00 O ATOM 887 CB ASN A 51 -9.544 -0.180 -8.221 1.00 0.00 C ATOM 888 CG ASN A 51 -11.053 -0.325 -8.249 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.590 -1.393 -7.955 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.744 0.752 -8.605 1.00 0.00 N ATOM 0 H ASN A 51 -8.427 0.811 -6.213 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.619 -1.763 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.285 0.869 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.135 -0.480 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.763 0.715 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.256 1.616 -8.840 1.00 0.00 H new