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= -2.5 K(o=-11,f=-6.4!) USER MOD Set 1.2: A 44 GLN : amide:sc= -8.48! K(o=-11!,f=-2.6) USER MOD Single : A 23 ASN : amide:sc= -0.182 K(o=-0.18,f=-0.94) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 32 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.12) USER MOD Single : A 33 GLN : amide:sc= -1.67! X(o=-1.7!,f=-1.6) USER MOD Single : A 35 SER OG : rot 180:sc= -4.33! 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= -0.357 X(o=-0.36,f=-0.022) USER MOD Single : A 51 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 5.281 3.028 1.023 1.00 0.00 N ATOM 393 CA ASN A 23 4.304 3.492 0.045 1.00 0.00 C ATOM 394 C ASN A 23 3.488 4.657 0.595 1.00 0.00 C ATOM 395 O ASN A 23 2.299 4.794 0.309 1.00 0.00 O ATOM 396 CB ASN A 23 3.384 2.345 -0.389 1.00 0.00 C ATOM 397 CG ASN A 23 2.559 1.759 0.737 1.00 0.00 C ATOM 398 OD1 ASN A 23 2.729 0.593 1.089 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.640 2.544 1.286 1.00 0.00 N ATOM 0 HA ASN A 23 4.848 3.846 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.713 2.706 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.990 1.554 -0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.042 2.185 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.532 3.506 0.964 1.00 0.00 H new ATOM 406 N ARG A 24 4.144 5.494 1.383 1.00 0.00 N ATOM 407 CA ARG A 24 3.505 6.659 1.985 1.00 0.00 C ATOM 408 C ARG A 24 3.846 7.911 1.204 1.00 0.00 C ATOM 409 O ARG A 24 2.979 8.707 0.846 1.00 0.00 O ATOM 410 CB ARG A 24 4.000 6.820 3.413 1.00 0.00 C ATOM 411 CG ARG A 24 3.869 5.568 4.228 1.00 0.00 C ATOM 412 CD ARG A 24 3.915 5.870 5.718 1.00 0.00 C ATOM 413 NE ARG A 24 5.129 6.597 6.090 1.00 0.00 N ATOM 414 CZ ARG A 24 5.196 7.921 6.228 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.124 8.676 6.023 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.344 8.490 6.570 1.00 0.00 N ATOM 0 H ARG A 24 5.129 5.388 1.624 1.00 0.00 H new ATOM 0 HA ARG A 24 2.425 6.513 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.046 7.127 3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.441 7.621 3.897 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.930 5.070 3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.672 4.878 3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.040 6.458 5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.864 4.937 6.279 1.00 0.00 H new ATOM 0 HE ARG A 24 5.978 6.056 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.239 8.244 5.757 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.185 9.688 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.172 7.915 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.399 9.503 6.677 1.00 0.00 H new ATOM 430 N TYR A 25 5.131 8.064 0.954 1.00 0.00 N ATOM 431 CA TYR A 25 5.655 9.203 0.220 1.00 0.00 C ATOM 432 C TYR A 25 4.850 9.454 -1.063 1.00 0.00 C ATOM 433 O TYR A 25 4.599 10.596 -1.437 1.00 0.00 O ATOM 434 CB TYR A 25 7.104 8.918 -0.157 1.00 0.00 C ATOM 435 CG TYR A 25 7.165 7.900 -1.257 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.715 6.608 -1.040 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.593 8.248 -2.524 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.691 5.685 -2.056 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.587 7.334 -3.552 1.00 0.00 C ATOM 440 CZ TYR A 25 7.131 6.048 -3.317 1.00 0.00 C ATOM 441 OH TYR A 25 7.111 5.129 -4.341 1.00 0.00 O ATOM 0 H TYR A 25 5.845 7.401 1.254 1.00 0.00 H new ATOM 0 HA TYR A 25 5.583 10.088 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.592 9.839 -0.477 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.649 8.555 0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.377 6.322 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.938 9.254 -2.710 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.331 4.683 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.935 7.617 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 25 7.452 5.545 -5.160 1.00 0.00 H new ATOM 451 N LEU A 26 4.472 8.362 -1.737 1.00 0.00 N ATOM 452 CA LEU A 26 3.717 8.430 -2.988 1.00 0.00 C ATOM 453 C LEU A 26 2.497 9.318 -2.835 1.00 0.00 C ATOM 454 O LEU A 26 2.059 9.968 -3.783 1.00 0.00 O ATOM 455 CB LEU A 26 3.285 7.028 -3.418 1.00 0.00 C ATOM 456 CG LEU A 26 2.294 6.341 -2.478 1.00 0.00 C ATOM 457 CD1 LEU A 26 0.865 6.600 -2.927 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.572 4.847 -2.413 1.00 0.00 C ATOM 0 H LEU A 26 4.681 7.412 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 26 4.364 8.859 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.838 7.090 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.173 6.402 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 26 2.420 6.758 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.174 6.103 -2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.671 7.673 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.724 6.210 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.858 4.373 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.474 4.415 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.584 4.681 -2.044 1.00 0.00 H new ATOM 470 N THR A 27 1.969 9.347 -1.627 1.00 0.00 N ATOM 471 CA THR A 27 0.811 10.160 -1.311 1.00 0.00 C ATOM 472 C THR A 27 1.148 11.635 -1.498 1.00 0.00 C ATOM 473 O THR A 27 0.264 12.476 -1.653 1.00 0.00 O ATOM 474 CB THR A 27 0.362 9.867 0.116 1.00 0.00 C ATOM 475 OG1 THR A 27 1.236 10.472 1.053 1.00 0.00 O ATOM 476 CG2 THR A 27 0.316 8.382 0.412 1.00 0.00 C ATOM 0 H THR A 27 2.329 8.809 -0.839 1.00 0.00 H new ATOM 0 HA THR A 27 -0.010 9.917 -1.985 1.00 0.00 H new ATOM 0 HB THR A 27 -0.643 10.279 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.938 9.836 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.009 8.226 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.385 7.897 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.309 7.953 0.277 1.00 0.00 H new ATOM 484 N GLU A 28 2.447 11.929 -1.503 1.00 0.00 N ATOM 485 CA GLU A 28 2.937 13.283 -1.697 1.00 0.00 C ATOM 486 C GLU A 28 4.055 13.304 -2.748 1.00 0.00 C ATOM 487 O GLU A 28 4.706 14.328 -2.953 1.00 0.00 O ATOM 488 CB GLU A 28 3.450 13.858 -0.375 1.00 0.00 C ATOM 489 CG GLU A 28 2.385 13.940 0.707 1.00 0.00 C ATOM 490 CD GLU A 28 1.937 15.363 0.980 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.559 16.062 0.016 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.965 15.778 2.158 1.00 0.00 O ATOM 0 H GLU A 28 3.183 11.235 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 28 2.111 13.899 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.274 13.242 -0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.852 14.855 -0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.523 13.343 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.773 13.503 1.627 1.00 0.00 H new ATOM 499 N ARG A 29 4.269 12.161 -3.410 1.00 0.00 N ATOM 500 CA ARG A 29 5.299 12.039 -4.437 1.00 0.00 C ATOM 501 C ARG A 29 4.672 11.821 -5.811 1.00 0.00 C ATOM 502 O ARG A 29 5.089 12.429 -6.796 1.00 0.00 O ATOM 503 CB ARG A 29 6.256 10.893 -4.106 1.00 0.00 C ATOM 504 CG ARG A 29 7.671 11.367 -3.804 1.00 0.00 C ATOM 505 CD ARG A 29 8.707 10.608 -4.619 1.00 0.00 C ATOM 506 NE ARG A 29 9.971 10.466 -3.899 1.00 0.00 N ATOM 507 CZ ARG A 29 10.770 11.488 -3.595 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.446 12.723 -3.956 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.897 11.272 -2.930 1.00 0.00 N ATOM 0 H ARG A 29 3.737 11.306 -3.248 1.00 0.00 H new ATOM 0 HA ARG A 29 5.864 12.971 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.872 10.343 -3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.283 10.196 -4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.751 12.433 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.879 11.238 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.319 9.621 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.882 11.130 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 29 10.258 9.530 -3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.581 12.894 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.062 13.501 -3.720 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.151 10.324 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.509 12.054 -2.697 1.00 0.00 H new ATOM 523 N ARG A 30 3.666 10.952 -5.869 1.00 0.00 N ATOM 524 CA ARG A 30 2.984 10.662 -7.127 1.00 0.00 C ATOM 525 C ARG A 30 1.466 10.807 -6.992 1.00 0.00 C ATOM 526 O ARG A 30 0.733 10.627 -7.965 1.00 0.00 O ATOM 527 CB ARG A 30 3.332 9.253 -7.610 1.00 0.00 C ATOM 528 CG ARG A 30 3.296 8.207 -6.509 1.00 0.00 C ATOM 529 CD ARG A 30 2.714 6.893 -7.006 1.00 0.00 C ATOM 530 NE ARG A 30 3.648 6.172 -7.868 1.00 0.00 N ATOM 531 CZ ARG A 30 3.485 4.904 -8.239 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.428 4.215 -7.828 1.00 0.00 N ATOM 533 NH2 ARG A 30 4.382 4.325 -9.025 1.00 0.00 N ATOM 0 H ARG A 30 3.307 10.439 -5.064 1.00 0.00 H new ATOM 0 HA ARG A 30 3.328 11.390 -7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.634 8.965 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.327 9.266 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.305 8.040 -6.132 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.701 8.577 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.451 6.267 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.792 7.089 -7.554 1.00 0.00 H new ATOM 0 HE ARG A 30 4.473 6.669 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.735 4.657 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.309 3.244 -8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.195 4.851 -9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.259 3.353 -9.310 1.00 0.00 H new ATOM 547 N ARG A 31 0.998 11.135 -5.790 1.00 0.00 N ATOM 548 CA ARG A 31 -0.431 11.306 -5.549 1.00 0.00 C ATOM 549 C ARG A 31 -0.940 12.597 -6.179 1.00 0.00 C ATOM 550 O ARG A 31 -2.147 12.815 -6.281 1.00 0.00 O ATOM 551 CB ARG A 31 -0.719 11.315 -4.051 1.00 0.00 C ATOM 552 CG ARG A 31 -2.107 10.811 -3.692 1.00 0.00 C ATOM 553 CD ARG A 31 -3.021 11.951 -3.270 1.00 0.00 C ATOM 554 NE ARG A 31 -4.347 11.476 -2.880 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.590 10.792 -1.764 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.603 10.504 -0.925 1.00 0.00 N ATOM 557 NH2 ARG A 31 -5.825 10.398 -1.486 1.00 0.00 N ATOM 0 H ARG A 31 1.586 11.287 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.952 10.466 -6.009 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.024 10.699 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.602 12.331 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.540 10.294 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.033 10.084 -2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.569 12.488 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.118 12.661 -4.091 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.132 11.680 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.652 10.807 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.796 9.980 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.587 10.619 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.013 9.874 -0.631 1.00 0.00 H new ATOM 571 N GLN A 32 -0.014 13.442 -6.619 1.00 0.00 N ATOM 572 CA GLN A 32 -0.371 14.698 -7.259 1.00 0.00 C ATOM 573 C GLN A 32 -0.199 14.560 -8.762 1.00 0.00 C ATOM 574 O GLN A 32 -0.790 15.301 -9.547 1.00 0.00 O ATOM 575 CB GLN A 32 0.497 15.841 -6.732 1.00 0.00 C ATOM 576 CG GLN A 32 -0.084 16.535 -5.511 1.00 0.00 C ATOM 577 CD GLN A 32 0.246 15.813 -4.219 1.00 0.00 C ATOM 578 OE1 GLN A 32 -0.496 14.935 -3.778 1.00 0.00 O ATOM 579 NE2 GLN A 32 1.366 16.178 -3.606 1.00 0.00 N ATOM 0 H GLN A 32 0.990 13.278 -6.543 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.411 14.930 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.484 15.451 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.636 16.576 -7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.298 17.555 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.167 16.605 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.951 16.911 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.641 15.726 -2.734 1.00 0.00 H new ATOM 588 N GLN A 33 0.613 13.583 -9.146 1.00 0.00 N ATOM 589 CA GLN A 33 0.877 13.303 -10.539 1.00 0.00 C ATOM 590 C GLN A 33 -0.238 12.456 -11.121 1.00 0.00 C ATOM 591 O GLN A 33 -0.695 12.696 -12.239 1.00 0.00 O ATOM 592 CB GLN A 33 2.215 12.581 -10.669 1.00 0.00 C ATOM 593 CG GLN A 33 2.540 12.155 -12.083 1.00 0.00 C ATOM 594 CD GLN A 33 1.987 10.784 -12.424 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.572 9.761 -12.070 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.853 10.756 -13.116 1.00 0.00 N ATOM 0 H GLN A 33 1.103 12.967 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 33 0.923 14.241 -11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.008 13.235 -10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.207 11.701 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.136 12.889 -12.781 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.622 12.149 -12.217 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.401 11.628 -13.389 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.435 9.862 -13.374 1.00 0.00 H new ATOM 605 N LEU A 34 -0.698 11.480 -10.347 1.00 0.00 N ATOM 606 CA LEU A 34 -1.783 10.631 -10.787 1.00 0.00 C ATOM 607 C LEU A 34 -3.046 11.467 -10.861 1.00 0.00 C ATOM 608 O LEU A 34 -3.644 11.612 -11.923 1.00 0.00 O ATOM 609 CB LEU A 34 -1.974 9.466 -9.827 1.00 0.00 C ATOM 610 CG LEU A 34 -0.951 8.336 -9.935 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.782 7.664 -8.584 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.384 7.322 -10.982 1.00 0.00 C ATOM 0 H LEU A 34 -0.335 11.263 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.552 10.218 -11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.953 9.853 -8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.967 9.047 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 34 0.006 8.756 -10.244 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.052 6.859 -8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.435 8.396 -7.855 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.738 7.254 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.643 6.525 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.349 6.899 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.471 7.814 -11.951 1.00 0.00 H new ATOM 624 N SER A 35 -3.432 12.036 -9.720 1.00 0.00 N ATOM 625 CA SER A 35 -4.606 12.887 -9.637 1.00 0.00 C ATOM 626 C SER A 35 -4.749 13.776 -10.876 1.00 0.00 C ATOM 627 O SER A 35 -5.861 14.098 -11.293 1.00 0.00 O ATOM 628 CB SER A 35 -4.521 13.765 -8.388 1.00 0.00 C ATOM 629 OG SER A 35 -5.799 14.251 -8.016 1.00 0.00 O ATOM 0 H SER A 35 -2.939 11.918 -8.835 1.00 0.00 H new ATOM 0 HA SER A 35 -5.482 12.241 -9.581 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.093 13.192 -7.566 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.850 14.604 -8.575 1.00 0.00 H new ATOM 0 HG SER A 35 -5.716 14.808 -7.214 1.00 0.00 H new ATOM 635 N SER A 36 -3.614 14.181 -11.451 1.00 0.00 N ATOM 636 CA SER A 36 -3.624 15.044 -12.630 1.00 0.00 C ATOM 637 C SER A 36 -3.864 14.252 -13.915 1.00 0.00 C ATOM 638 O SER A 36 -4.556 14.721 -14.819 1.00 0.00 O ATOM 639 CB SER A 36 -2.303 15.810 -12.733 1.00 0.00 C ATOM 640 OG SER A 36 -2.472 17.026 -13.442 1.00 0.00 O ATOM 0 H SER A 36 -2.683 13.926 -11.121 1.00 0.00 H new ATOM 0 HA SER A 36 -4.448 15.747 -12.513 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.921 16.018 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.559 15.192 -13.236 1.00 0.00 H new ATOM 0 HG SER A 36 -1.614 17.497 -13.493 1.00 0.00 H new ATOM 646 N GLU A 37 -3.284 13.059 -13.999 1.00 0.00 N ATOM 647 CA GLU A 37 -3.435 12.219 -15.185 1.00 0.00 C ATOM 648 C GLU A 37 -4.687 11.351 -15.099 1.00 0.00 C ATOM 649 O GLU A 37 -5.258 10.965 -16.119 1.00 0.00 O ATOM 650 CB GLU A 37 -2.199 11.336 -15.366 1.00 0.00 C ATOM 651 CG GLU A 37 -2.052 10.776 -16.771 1.00 0.00 C ATOM 652 CD GLU A 37 -1.634 11.830 -17.779 1.00 0.00 C ATOM 653 OE1 GLU A 37 -1.056 12.855 -17.360 1.00 0.00 O ATOM 654 OE2 GLU A 37 -1.887 11.632 -18.985 1.00 0.00 O ATOM 0 H GLU A 37 -2.707 12.652 -13.263 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.540 12.877 -16.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.309 11.916 -15.120 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.247 10.509 -14.657 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.314 9.974 -16.763 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.999 10.335 -17.083 1.00 0.00 H new ATOM 661 N LEU A 38 -5.103 11.041 -13.877 1.00 0.00 N ATOM 662 CA LEU A 38 -6.281 10.213 -13.655 1.00 0.00 C ATOM 663 C LEU A 38 -7.574 11.011 -13.836 1.00 0.00 C ATOM 664 O LEU A 38 -8.669 10.457 -13.741 1.00 0.00 O ATOM 665 CB LEU A 38 -6.231 9.601 -12.254 1.00 0.00 C ATOM 666 CG LEU A 38 -5.505 8.260 -12.148 1.00 0.00 C ATOM 667 CD1 LEU A 38 -6.061 7.269 -13.149 1.00 0.00 C ATOM 668 CD2 LEU A 38 -4.010 8.443 -12.340 1.00 0.00 C ATOM 0 H LEU A 38 -4.640 11.352 -13.023 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.277 9.417 -14.400 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.747 10.311 -11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.252 9.471 -11.897 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.671 7.859 -11.148 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.530 6.322 -13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.122 7.111 -12.954 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.932 7.660 -14.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.512 7.477 -12.261 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.819 8.870 -13.325 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.624 9.114 -11.573 1.00 0.00 H new ATOM 680 N GLY A 39 -7.446 12.313 -14.099 1.00 0.00 N ATOM 681 CA GLY A 39 -8.620 13.151 -14.289 1.00 0.00 C ATOM 682 C GLY A 39 -9.632 12.999 -13.170 1.00 0.00 C ATOM 683 O GLY A 39 -10.716 12.452 -13.375 1.00 0.00 O ATOM 0 H GLY A 39 -6.553 12.800 -14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.311 14.194 -14.355 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.093 12.898 -15.238 1.00 0.00 H new ATOM 687 N LEU A 40 -9.271 13.471 -11.983 1.00 0.00 N ATOM 688 CA LEU A 40 -10.145 13.372 -10.819 1.00 0.00 C ATOM 689 C LEU A 40 -9.868 14.480 -9.811 1.00 0.00 C ATOM 690 O LEU A 40 -9.425 15.572 -10.167 1.00 0.00 O ATOM 691 CB LEU A 40 -9.970 12.009 -10.162 1.00 0.00 C ATOM 692 CG LEU A 40 -8.619 11.811 -9.483 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.696 10.767 -8.396 1.00 0.00 C ATOM 694 CD2 LEU A 40 -7.601 11.398 -10.501 1.00 0.00 C ATOM 0 H LEU A 40 -8.377 13.927 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.174 13.486 -11.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.759 11.870 -9.423 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.101 11.234 -10.918 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.328 12.757 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.716 10.651 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.419 11.079 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.009 9.816 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.636 11.257 -10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.912 10.463 -10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.513 12.173 -11.263 1.00 0.00 H new ATOM 706 N ASN A 41 -10.143 14.179 -8.551 1.00 0.00 N ATOM 707 CA ASN A 41 -9.942 15.132 -7.464 1.00 0.00 C ATOM 708 C ASN A 41 -9.300 14.474 -6.244 1.00 0.00 C ATOM 709 O ASN A 41 -8.084 14.542 -6.068 1.00 0.00 O ATOM 710 CB ASN A 41 -11.263 15.818 -7.069 1.00 0.00 C ATOM 711 CG ASN A 41 -12.456 15.339 -7.879 1.00 0.00 C ATOM 712 OD1 ASN A 41 -12.400 15.265 -9.106 1.00 0.00 O ATOM 713 ND2 ASN A 41 -13.544 15.013 -7.191 1.00 0.00 N ATOM 0 H ASN A 41 -10.509 13.275 -8.252 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.256 15.894 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.455 15.638 -6.011 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.156 16.895 -7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.377 14.686 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.546 15.090 -6.174 1.00 0.00 H new ATOM 720 N GLU A 42 -10.113 13.850 -5.397 1.00 0.00 N ATOM 721 CA GLU A 42 -9.599 13.204 -4.195 1.00 0.00 C ATOM 722 C GLU A 42 -10.315 11.889 -3.919 1.00 0.00 C ATOM 723 O GLU A 42 -9.681 10.872 -3.636 1.00 0.00 O ATOM 724 CB GLU A 42 -9.745 14.135 -2.991 1.00 0.00 C ATOM 725 CG GLU A 42 -8.598 14.035 -2.000 1.00 0.00 C ATOM 726 CD GLU A 42 -8.708 15.046 -0.875 1.00 0.00 C ATOM 727 OE1 GLU A 42 -9.440 16.044 -1.044 1.00 0.00 O ATOM 728 OE2 GLU A 42 -8.062 14.840 0.174 1.00 0.00 O ATOM 0 H GLU A 42 -11.123 13.778 -5.519 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.544 12.988 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.819 15.163 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.679 13.906 -2.477 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.573 13.030 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.655 14.183 -2.526 1.00 0.00 H new ATOM 735 N ALA A 43 -11.639 11.915 -3.999 1.00 0.00 N ATOM 736 CA ALA A 43 -12.437 10.721 -3.749 1.00 0.00 C ATOM 737 C ALA A 43 -12.176 9.643 -4.787 1.00 0.00 C ATOM 738 O ALA A 43 -12.499 8.475 -4.571 1.00 0.00 O ATOM 739 CB ALA A 43 -13.914 11.056 -3.733 1.00 0.00 C ATOM 0 H ALA A 43 -12.182 12.746 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.141 10.338 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.490 10.150 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.114 11.783 -2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.202 11.476 -4.697 1.00 0.00 H new ATOM 745 N GLN A 44 -11.591 10.028 -5.912 1.00 0.00 N ATOM 746 CA GLN A 44 -11.299 9.064 -6.961 1.00 0.00 C ATOM 747 C GLN A 44 -9.844 8.627 -6.885 1.00 0.00 C ATOM 748 O GLN A 44 -9.468 7.586 -7.418 1.00 0.00 O ATOM 749 CB GLN A 44 -11.642 9.623 -8.344 1.00 0.00 C ATOM 750 CG GLN A 44 -13.069 10.143 -8.456 1.00 0.00 C ATOM 751 CD GLN A 44 -13.281 11.490 -7.778 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.419 11.915 -7.580 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.195 12.173 -7.418 1.00 0.00 N ATOM 0 H GLN A 44 -11.313 10.987 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.928 8.188 -6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.950 10.431 -8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.489 8.843 -9.090 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.334 10.230 -9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.749 9.413 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.268 11.789 -7.599 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.291 13.080 -6.962 1.00 0.00 H new ATOM 762 N ILE A 45 -9.018 9.409 -6.193 1.00 0.00 N ATOM 763 CA ILE A 45 -7.625 9.059 -6.029 1.00 0.00 C ATOM 764 C ILE A 45 -7.544 7.676 -5.429 1.00 0.00 C ATOM 765 O ILE A 45 -6.811 6.812 -5.905 1.00 0.00 O ATOM 766 CB ILE A 45 -6.907 10.055 -5.100 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.065 11.483 -5.620 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.439 9.688 -4.965 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.092 11.824 -6.715 1.00 0.00 C ATOM 0 H ILE A 45 -9.295 10.282 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.138 9.089 -7.004 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.365 10.002 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.081 11.618 -5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.932 12.181 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.945 10.401 -4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.352 8.685 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.966 9.714 -5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.256 12.851 -7.041 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.073 11.720 -6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.241 11.148 -7.557 1.00 0.00 H new ATOM 781 N LYS A 46 -8.344 7.470 -4.397 1.00 0.00 N ATOM 782 CA LYS A 46 -8.407 6.185 -3.745 1.00 0.00 C ATOM 783 C LYS A 46 -9.067 5.168 -4.672 1.00 0.00 C ATOM 784 O LYS A 46 -9.047 3.969 -4.400 1.00 0.00 O ATOM 785 CB LYS A 46 -9.187 6.286 -2.432 1.00 0.00 C ATOM 786 CG LYS A 46 -8.397 6.926 -1.302 1.00 0.00 C ATOM 787 CD LYS A 46 -9.280 7.810 -0.433 1.00 0.00 C ATOM 788 CE LYS A 46 -9.257 9.256 -0.904 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.047 10.204 0.226 1.00 0.00 N ATOM 0 H LYS A 46 -8.957 8.180 -3.997 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.393 5.857 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.095 6.864 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.498 5.287 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.943 6.148 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.583 7.520 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.304 7.436 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.942 7.758 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.463 9.386 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.197 9.490 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.038 11.179 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.818 10.098 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.138 9.997 0.688 1.00 0.00 H new ATOM 803 N ILE A 47 -9.656 5.654 -5.776 1.00 0.00 N ATOM 804 CA ILE A 47 -10.316 4.769 -6.726 1.00 0.00 C ATOM 805 C ILE A 47 -9.298 3.969 -7.536 1.00 0.00 C ATOM 806 O ILE A 47 -9.560 2.820 -7.895 1.00 0.00 O ATOM 807 CB ILE A 47 -11.264 5.551 -7.674 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.716 5.391 -7.219 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.113 5.100 -9.123 1.00 0.00 C ATOM 810 CD1 ILE A 47 -13.032 6.126 -5.934 1.00 0.00 C ATOM 0 H ILE A 47 -9.685 6.643 -6.024 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.920 4.072 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.985 6.604 -7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.377 5.753 -8.007 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.931 4.331 -7.084 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.793 5.671 -9.755 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.087 5.267 -9.451 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.351 4.039 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -14.078 5.968 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.396 5.748 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.849 7.192 -6.070 1.00 0.00 H new ATOM 822 N TRP A 48 -8.134 4.558 -7.822 1.00 0.00 N ATOM 823 CA TRP A 48 -7.122 3.833 -8.587 1.00 0.00 C ATOM 824 C TRP A 48 -6.517 2.723 -7.743 1.00 0.00 C ATOM 825 O TRP A 48 -6.596 1.544 -8.092 1.00 0.00 O ATOM 826 CB TRP A 48 -5.987 4.735 -9.082 1.00 0.00 C ATOM 827 CG TRP A 48 -6.285 6.193 -9.143 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.390 6.804 -9.653 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.425 7.228 -8.690 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.263 8.166 -9.545 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.060 8.449 -8.953 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.172 7.234 -8.082 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.477 9.666 -8.630 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.599 8.442 -7.760 1.00 0.00 C ATOM 835 CH2 TRP A 48 -4.251 9.643 -8.034 1.00 0.00 C ATOM 0 H TRP A 48 -7.875 5.505 -7.545 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.636 3.425 -9.457 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.125 4.588 -8.432 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.695 4.403 -10.078 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.240 6.292 -10.079 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.950 8.854 -9.854 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.660 6.308 -7.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.977 10.599 -8.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.628 8.460 -7.287 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.775 10.575 -7.769 1.00 0.00 H new ATOM 846 N PHE A 49 -5.905 3.113 -6.630 1.00 0.00 N ATOM 847 CA PHE A 49 -5.275 2.153 -5.729 1.00 0.00 C ATOM 848 C PHE A 49 -6.295 1.141 -5.231 1.00 0.00 C ATOM 849 O PHE A 49 -5.958 -0.013 -4.964 1.00 0.00 O ATOM 850 CB PHE A 49 -4.614 2.855 -4.540 1.00 0.00 C ATOM 851 CG PHE A 49 -4.117 4.237 -4.842 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.905 4.432 -5.479 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.862 5.342 -4.479 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.449 5.707 -5.750 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.415 6.608 -4.743 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.209 6.799 -5.378 1.00 0.00 C ATOM 0 H PHE A 49 -5.831 4.085 -6.330 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.500 1.632 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.330 2.910 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.778 2.248 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.309 3.579 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.810 5.205 -3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.503 5.850 -6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.011 7.461 -4.452 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.858 7.799 -5.585 1.00 0.00 H new ATOM 866 N GLN A 50 -7.550 1.571 -5.127 1.00 0.00 N ATOM 867 CA GLN A 50 -8.618 0.684 -4.682 1.00 0.00 C ATOM 868 C GLN A 50 -8.595 -0.605 -5.494 1.00 0.00 C ATOM 869 O GLN A 50 -9.014 -1.661 -5.022 1.00 0.00 O ATOM 870 CB GLN A 50 -9.979 1.370 -4.823 1.00 0.00 C ATOM 871 CG GLN A 50 -10.557 1.853 -3.503 1.00 0.00 C ATOM 872 CD GLN A 50 -11.769 2.745 -3.687 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.670 2.433 -4.466 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.796 3.862 -2.971 1.00 0.00 N ATOM 0 H GLN A 50 -7.850 2.522 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.458 0.446 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.880 2.219 -5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.681 0.675 -5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.834 0.992 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.790 2.398 -2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.027 4.080 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.586 4.502 -3.054 1.00 0.00 H new ATOM 883 N ASN A 51 -8.082 -0.504 -6.717 1.00 0.00 N ATOM 884 CA ASN A 51 -7.977 -1.655 -7.600 1.00 0.00 C ATOM 885 C ASN A 51 -6.697 -2.429 -7.306 1.00 0.00 C ATOM 886 O ASN A 51 -6.651 -3.650 -7.449 1.00 0.00 O ATOM 887 CB ASN A 51 -7.997 -1.207 -9.063 1.00 0.00 C ATOM 888 CG ASN A 51 -9.407 -1.030 -9.593 1.00 0.00 C ATOM 889 OD1 ASN A 51 -9.803 -1.673 -10.565 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.173 -0.152 -8.956 1.00 0.00 N ATOM 0 H ASN A 51 -7.733 0.367 -7.117 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.832 -2.308 -7.423 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.454 -0.267 -9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.472 -1.942 -9.673 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.130 0.011 -9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.804 0.360 -8.154 1.00 0.00 H new