USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 252 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 ASN : amide:sc= -1 X(o=-1,f=-0.9) 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= -4.06 K(o=-4.1,f=-1.9) USER MOD Single : A 35 SER OG : rot -170:sc= 0 USER MOD Single : A 36 SER OG : rot 75:sc= 0.123 USER MOD Single : A 41 ASN : amide:sc= -0.0807 X(o=-0.081,f=-0.49) USER MOD Single : A 44 GLN : amide:sc= -8.57! C(o=-8.6!,f=-5.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.576 K(o=-0.58,f=-0.026) USER MOD Single : A 51 ASN : amide:sc= 0.779 K(o=0.78,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 4.605 3.300 -1.821 1.00 0.00 N ATOM 393 CA ASN A 23 3.322 3.988 -1.915 1.00 0.00 C ATOM 394 C ASN A 23 3.025 4.703 -0.608 1.00 0.00 C ATOM 395 O ASN A 23 1.874 4.846 -0.201 1.00 0.00 O ATOM 396 CB ASN A 23 2.204 2.996 -2.240 1.00 0.00 C ATOM 397 CG ASN A 23 2.164 2.635 -3.711 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.107 2.666 -4.342 1.00 0.00 O ATOM 399 ND2 ASN A 23 3.319 2.288 -4.267 1.00 0.00 N ATOM 0 HA ASN A 23 3.375 4.722 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.342 2.090 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.245 3.424 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.354 2.034 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.171 2.276 -3.707 1.00 0.00 H new ATOM 406 N ARG A 24 4.093 5.127 0.048 1.00 0.00 N ATOM 407 CA ARG A 24 4.008 5.813 1.324 1.00 0.00 C ATOM 408 C ARG A 24 4.158 7.326 1.152 1.00 0.00 C ATOM 409 O ARG A 24 3.769 8.101 2.026 1.00 0.00 O ATOM 410 CB ARG A 24 5.112 5.262 2.233 1.00 0.00 C ATOM 411 CG ARG A 24 5.926 6.321 2.958 1.00 0.00 C ATOM 412 CD ARG A 24 6.713 5.725 4.115 1.00 0.00 C ATOM 413 NE ARG A 24 7.411 6.751 4.888 1.00 0.00 N ATOM 414 CZ ARG A 24 6.797 7.630 5.676 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.476 7.611 5.801 1.00 0.00 N ATOM 416 NH2 ARG A 24 7.507 8.530 6.343 1.00 0.00 N ATOM 0 H ARG A 24 5.047 5.004 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 24 3.029 5.638 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.659 4.602 2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.787 4.652 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.612 6.797 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.261 7.100 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.036 5.176 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.436 5.007 3.730 1.00 0.00 H new ATOM 0 HE ARG A 24 8.428 6.796 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.925 6.920 5.291 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.011 8.287 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.523 8.548 6.252 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.037 9.204 6.947 1.00 0.00 H new ATOM 430 N TYR A 25 4.744 7.734 0.034 1.00 0.00 N ATOM 431 CA TYR A 25 4.972 9.148 -0.240 1.00 0.00 C ATOM 432 C TYR A 25 4.186 9.615 -1.467 1.00 0.00 C ATOM 433 O TYR A 25 3.579 10.683 -1.448 1.00 0.00 O ATOM 434 CB TYR A 25 6.463 9.384 -0.468 1.00 0.00 C ATOM 435 CG TYR A 25 6.900 8.915 -1.827 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.008 7.560 -2.110 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.155 9.826 -2.839 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.362 7.129 -3.369 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.516 9.406 -4.098 1.00 0.00 C ATOM 440 CZ TYR A 25 7.618 8.053 -4.363 1.00 0.00 C ATOM 441 OH TYR A 25 7.971 7.626 -5.622 1.00 0.00 O ATOM 0 H TYR A 25 5.071 7.105 -0.699 1.00 0.00 H new ATOM 0 HA TYR A 25 4.627 9.722 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.683 10.446 -0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.035 8.861 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.812 6.835 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.069 10.883 -2.636 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.439 6.072 -3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.719 10.129 -4.875 1.00 0.00 H new ATOM 0 HH TYR A 25 8.115 8.402 -6.202 1.00 0.00 H new ATOM 451 N LEU A 26 4.211 8.815 -2.538 1.00 0.00 N ATOM 452 CA LEU A 26 3.500 9.159 -3.771 1.00 0.00 C ATOM 453 C LEU A 26 2.069 9.565 -3.461 1.00 0.00 C ATOM 454 O LEU A 26 1.458 10.346 -4.182 1.00 0.00 O ATOM 455 CB LEU A 26 3.506 7.986 -4.758 1.00 0.00 C ATOM 456 CG LEU A 26 3.358 6.597 -4.136 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.896 6.173 -4.112 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.196 5.587 -4.904 1.00 0.00 C ATOM 0 H LEU A 26 4.714 7.928 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 26 4.019 9.999 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.696 8.132 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.438 8.014 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 26 3.717 6.636 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.812 5.182 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.320 6.886 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.508 6.146 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.083 4.602 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.862 5.551 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.244 5.883 -4.870 1.00 0.00 H new ATOM 470 N THR A 27 1.558 9.038 -2.365 1.00 0.00 N ATOM 471 CA THR A 27 0.211 9.341 -1.913 1.00 0.00 C ATOM 472 C THR A 27 0.073 10.844 -1.663 1.00 0.00 C ATOM 473 O THR A 27 -1.023 11.400 -1.713 1.00 0.00 O ATOM 474 CB THR A 27 -0.095 8.541 -0.639 1.00 0.00 C ATOM 475 OG1 THR A 27 0.148 9.319 0.521 1.00 0.00 O ATOM 476 CG2 THR A 27 0.731 7.271 -0.523 1.00 0.00 C ATOM 0 H THR A 27 2.063 8.388 -1.762 1.00 0.00 H new ATOM 0 HA THR A 27 -0.507 9.056 -2.682 1.00 0.00 H new ATOM 0 HB THR A 27 -1.148 8.271 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.056 8.788 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.469 6.750 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.527 6.625 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.791 7.526 -0.507 1.00 0.00 H new ATOM 484 N GLU A 28 1.209 11.489 -1.404 1.00 0.00 N ATOM 485 CA GLU A 28 1.258 12.926 -1.157 1.00 0.00 C ATOM 486 C GLU A 28 2.347 13.593 -2.007 1.00 0.00 C ATOM 487 O GLU A 28 2.547 14.806 -1.931 1.00 0.00 O ATOM 488 CB GLU A 28 1.519 13.192 0.327 1.00 0.00 C ATOM 489 CG GLU A 28 1.609 14.669 0.676 1.00 0.00 C ATOM 490 CD GLU A 28 0.871 15.013 1.955 1.00 0.00 C ATOM 491 OE1 GLU A 28 -0.222 14.451 2.179 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.384 15.846 2.731 1.00 0.00 O ATOM 0 H GLU A 28 2.119 11.030 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 28 0.295 13.354 -1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.722 12.737 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.448 12.702 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.657 14.951 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.200 15.258 -0.145 1.00 0.00 H new ATOM 499 N ARG A 29 3.051 12.795 -2.814 1.00 0.00 N ATOM 500 CA ARG A 29 4.118 13.303 -3.674 1.00 0.00 C ATOM 501 C ARG A 29 3.768 13.117 -5.147 1.00 0.00 C ATOM 502 O ARG A 29 4.200 13.888 -6.003 1.00 0.00 O ATOM 503 CB ARG A 29 5.434 12.587 -3.361 1.00 0.00 C ATOM 504 CG ARG A 29 6.661 13.476 -3.505 1.00 0.00 C ATOM 505 CD ARG A 29 7.585 12.993 -4.613 1.00 0.00 C ATOM 506 NE ARG A 29 7.659 13.945 -5.719 1.00 0.00 N ATOM 507 CZ ARG A 29 8.411 15.043 -5.704 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.150 15.336 -4.640 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.424 15.852 -6.755 1.00 0.00 N ATOM 0 H ARG A 29 2.898 11.789 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 29 4.231 14.369 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.394 12.200 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.538 11.729 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.346 14.498 -3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.206 13.498 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.584 12.831 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.232 12.031 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 29 7.101 13.757 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.143 14.718 -3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.724 16.179 -4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.858 15.633 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.000 16.694 -6.744 1.00 0.00 H new ATOM 523 N ARG A 30 2.988 12.081 -5.430 1.00 0.00 N ATOM 524 CA ARG A 30 2.574 11.770 -6.791 1.00 0.00 C ATOM 525 C ARG A 30 1.060 11.904 -6.944 1.00 0.00 C ATOM 526 O ARG A 30 0.560 12.133 -8.043 1.00 0.00 O ATOM 527 CB ARG A 30 3.023 10.352 -7.152 1.00 0.00 C ATOM 528 CG ARG A 30 2.526 9.857 -8.501 1.00 0.00 C ATOM 529 CD ARG A 30 2.325 8.350 -8.494 1.00 0.00 C ATOM 530 NE ARG A 30 3.508 7.638 -8.972 1.00 0.00 N ATOM 531 CZ ARG A 30 3.523 6.340 -9.266 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.422 5.609 -9.134 1.00 0.00 N ATOM 533 NH2 ARG A 30 4.642 5.770 -9.693 1.00 0.00 N ATOM 0 H ARG A 30 2.627 11.437 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 30 3.044 12.480 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.112 10.317 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.677 9.667 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.586 10.351 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.242 10.127 -9.277 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.088 8.021 -7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.471 8.095 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 30 4.373 8.167 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.559 6.042 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.440 4.615 -9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.491 6.326 -9.796 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.654 4.775 -9.918 1.00 0.00 H new ATOM 547 N ARG A 31 0.331 11.768 -5.835 1.00 0.00 N ATOM 548 CA ARG A 31 -1.124 11.881 -5.858 1.00 0.00 C ATOM 549 C ARG A 31 -1.540 13.143 -6.597 1.00 0.00 C ATOM 550 O ARG A 31 -2.584 13.186 -7.247 1.00 0.00 O ATOM 551 CB ARG A 31 -1.684 11.898 -4.434 1.00 0.00 C ATOM 552 CG ARG A 31 -3.204 11.880 -4.380 1.00 0.00 C ATOM 553 CD ARG A 31 -3.724 12.417 -3.055 1.00 0.00 C ATOM 554 NE ARG A 31 -3.834 13.874 -3.059 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.147 14.596 -1.985 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.380 14.003 -0.822 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.227 15.917 -2.076 1.00 0.00 N ATOM 0 H ARG A 31 0.725 11.580 -4.913 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.529 11.014 -6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.299 11.036 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.320 12.788 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.605 12.478 -5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.562 10.861 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.701 11.981 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.057 12.106 -2.251 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.661 14.366 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.320 12.988 -0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.619 14.562 -0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.049 16.378 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.467 16.471 -1.254 1.00 0.00 H new ATOM 571 N GLN A 32 -0.699 14.164 -6.501 1.00 0.00 N ATOM 572 CA GLN A 32 -0.961 15.430 -7.173 1.00 0.00 C ATOM 573 C GLN A 32 -0.795 15.264 -8.680 1.00 0.00 C ATOM 574 O GLN A 32 -1.558 15.825 -9.468 1.00 0.00 O ATOM 575 CB GLN A 32 -0.019 16.519 -6.653 1.00 0.00 C ATOM 576 CG GLN A 32 -0.678 17.475 -5.671 1.00 0.00 C ATOM 577 CD GLN A 32 -0.603 16.983 -4.239 1.00 0.00 C ATOM 578 OE1 GLN A 32 -1.497 16.284 -3.762 1.00 0.00 O ATOM 579 NE2 GLN A 32 0.469 17.348 -3.543 1.00 0.00 N ATOM 0 H GLN A 32 0.169 14.141 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.987 15.732 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.837 16.047 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.367 17.088 -7.499 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.198 18.451 -5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.723 17.613 -5.950 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.186 17.928 -3.978 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.574 17.048 -2.574 1.00 0.00 H new ATOM 588 N GLN A 33 0.201 14.476 -9.071 1.00 0.00 N ATOM 589 CA GLN A 33 0.468 14.212 -10.480 1.00 0.00 C ATOM 590 C GLN A 33 -0.523 13.186 -11.013 1.00 0.00 C ATOM 591 O GLN A 33 -0.978 13.268 -12.154 1.00 0.00 O ATOM 592 CB GLN A 33 1.912 13.715 -10.658 1.00 0.00 C ATOM 593 CG GLN A 33 2.059 12.202 -10.758 1.00 0.00 C ATOM 594 CD GLN A 33 1.806 11.684 -12.160 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.387 12.170 -13.129 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.932 10.691 -12.274 1.00 0.00 N ATOM 0 H GLN A 33 0.839 14.007 -8.428 1.00 0.00 H new ATOM 0 HA GLN A 33 0.349 15.136 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.328 14.167 -11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.509 14.069 -9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.063 11.917 -10.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.362 11.726 -10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.473 10.318 -11.443 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.720 10.301 -13.192 1.00 0.00 H new ATOM 605 N LEU A 34 -0.847 12.226 -10.162 1.00 0.00 N ATOM 606 CA LEU A 34 -1.780 11.171 -10.506 1.00 0.00 C ATOM 607 C LEU A 34 -3.179 11.734 -10.681 1.00 0.00 C ATOM 608 O LEU A 34 -3.906 11.357 -11.599 1.00 0.00 O ATOM 609 CB LEU A 34 -1.787 10.118 -9.408 1.00 0.00 C ATOM 610 CG LEU A 34 -1.040 8.842 -9.739 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.924 7.981 -8.492 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.753 8.111 -10.869 1.00 0.00 C ATOM 0 H LEU A 34 -0.471 12.158 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.465 10.718 -11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.353 10.552 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.821 9.865 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.031 9.075 -10.078 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.386 7.064 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.382 8.528 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.921 7.733 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.214 7.193 -11.106 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.769 7.866 -10.560 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.787 8.750 -11.751 1.00 0.00 H new ATOM 624 N SER A 35 -3.546 12.640 -9.787 1.00 0.00 N ATOM 625 CA SER A 35 -4.857 13.260 -9.829 1.00 0.00 C ATOM 626 C SER A 35 -5.102 13.910 -11.189 1.00 0.00 C ATOM 627 O SER A 35 -6.244 14.040 -11.629 1.00 0.00 O ATOM 628 CB SER A 35 -4.981 14.295 -8.711 1.00 0.00 C ATOM 629 OG SER A 35 -5.998 15.241 -8.996 1.00 0.00 O ATOM 0 H SER A 35 -2.951 12.961 -9.023 1.00 0.00 H new ATOM 0 HA SER A 35 -5.613 12.489 -9.680 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.203 13.792 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.029 14.809 -8.581 1.00 0.00 H new ATOM 0 HG SER A 35 -5.951 15.976 -8.350 1.00 0.00 H new ATOM 635 N SER A 36 -4.019 14.307 -11.854 1.00 0.00 N ATOM 636 CA SER A 36 -4.113 14.934 -13.168 1.00 0.00 C ATOM 637 C SER A 36 -3.531 14.027 -14.254 1.00 0.00 C ATOM 638 O SER A 36 -3.468 14.409 -15.423 1.00 0.00 O ATOM 639 CB SER A 36 -3.385 16.279 -13.169 1.00 0.00 C ATOM 640 OG SER A 36 -3.269 16.798 -11.855 1.00 0.00 O ATOM 0 H SER A 36 -3.067 14.205 -11.503 1.00 0.00 H new ATOM 0 HA SER A 36 -5.168 15.098 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.393 16.159 -13.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.925 16.988 -13.797 1.00 0.00 H new ATOM 0 HG SER A 36 -2.580 16.301 -11.366 1.00 0.00 H new ATOM 646 N GLU A 37 -3.106 12.826 -13.862 1.00 0.00 N ATOM 647 CA GLU A 37 -2.530 11.873 -14.805 1.00 0.00 C ATOM 648 C GLU A 37 -3.619 11.051 -15.486 1.00 0.00 C ATOM 649 O GLU A 37 -3.623 10.908 -16.709 1.00 0.00 O ATOM 650 CB GLU A 37 -1.548 10.944 -14.090 1.00 0.00 C ATOM 651 CG GLU A 37 -0.859 9.959 -15.022 1.00 0.00 C ATOM 652 CD GLU A 37 -0.593 8.620 -14.363 1.00 0.00 C ATOM 653 OE1 GLU A 37 -1.469 7.734 -14.446 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.491 8.458 -13.765 1.00 0.00 O ATOM 0 H GLU A 37 -3.150 12.492 -12.899 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.996 12.438 -15.569 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.792 11.546 -13.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.081 10.390 -13.317 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.478 9.808 -15.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.084 10.386 -15.362 1.00 0.00 H new ATOM 661 N LEU A 38 -4.546 10.517 -14.695 1.00 0.00 N ATOM 662 CA LEU A 38 -5.635 9.720 -15.247 1.00 0.00 C ATOM 663 C LEU A 38 -6.880 10.578 -15.438 1.00 0.00 C ATOM 664 O LEU A 38 -7.660 10.359 -16.364 1.00 0.00 O ATOM 665 CB LEU A 38 -5.962 8.495 -14.372 1.00 0.00 C ATOM 666 CG LEU A 38 -5.374 8.471 -12.957 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.883 7.249 -12.213 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.853 8.465 -12.982 1.00 0.00 C ATOM 0 H LEU A 38 -4.565 10.621 -13.680 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.302 9.349 -16.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.046 8.418 -14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.618 7.603 -14.896 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.695 9.377 -12.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.463 7.234 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.971 7.287 -12.152 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.581 6.347 -12.745 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.472 8.448 -11.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.501 7.582 -13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.494 9.361 -13.488 1.00 0.00 H new ATOM 680 N GLY A 39 -7.051 11.567 -14.566 1.00 0.00 N ATOM 681 CA GLY A 39 -8.195 12.453 -14.671 1.00 0.00 C ATOM 682 C GLY A 39 -9.271 12.168 -13.642 1.00 0.00 C ATOM 683 O GLY A 39 -10.456 12.120 -13.978 1.00 0.00 O ATOM 0 H GLY A 39 -6.420 11.770 -13.791 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.859 13.484 -14.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.624 12.364 -15.669 1.00 0.00 H new ATOM 687 N LEU A 40 -8.872 11.991 -12.387 1.00 0.00 N ATOM 688 CA LEU A 40 -9.834 11.728 -11.320 1.00 0.00 C ATOM 689 C LEU A 40 -9.653 12.697 -10.160 1.00 0.00 C ATOM 690 O LEU A 40 -9.016 13.741 -10.300 1.00 0.00 O ATOM 691 CB LEU A 40 -9.741 10.287 -10.815 1.00 0.00 C ATOM 692 CG LEU A 40 -8.601 9.448 -11.364 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.290 9.841 -10.704 1.00 0.00 C ATOM 694 CD2 LEU A 40 -8.914 7.995 -11.108 1.00 0.00 C ATOM 0 H LEU A 40 -7.899 12.024 -12.084 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.826 11.876 -11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.654 10.311 -9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.679 9.783 -11.048 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.495 9.617 -12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.482 9.231 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.084 10.893 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.362 9.682 -9.628 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.106 7.375 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.017 7.828 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.846 7.730 -11.607 1.00 0.00 H new ATOM 706 N ASN A 41 -10.236 12.349 -9.019 1.00 0.00 N ATOM 707 CA ASN A 41 -10.155 13.197 -7.836 1.00 0.00 C ATOM 708 C ASN A 41 -9.061 12.737 -6.876 1.00 0.00 C ATOM 709 O ASN A 41 -8.773 11.545 -6.774 1.00 0.00 O ATOM 710 CB ASN A 41 -11.506 13.236 -7.116 1.00 0.00 C ATOM 711 CG ASN A 41 -12.068 14.640 -7.020 1.00 0.00 C ATOM 712 OD1 ASN A 41 -11.951 15.434 -7.954 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.683 14.955 -5.886 1.00 0.00 N ATOM 0 H ASN A 41 -10.768 11.489 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.896 14.201 -8.173 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.215 12.599 -7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.393 12.823 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.081 15.886 -5.763 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.757 14.266 -5.138 1.00 0.00 H new ATOM 720 N GLU A 42 -8.465 13.695 -6.163 1.00 0.00 N ATOM 721 CA GLU A 42 -7.408 13.396 -5.199 1.00 0.00 C ATOM 722 C GLU A 42 -7.885 12.343 -4.210 1.00 0.00 C ATOM 723 O GLU A 42 -7.150 11.421 -3.858 1.00 0.00 O ATOM 724 CB GLU A 42 -6.990 14.664 -4.451 1.00 0.00 C ATOM 725 CG GLU A 42 -6.375 15.726 -5.348 1.00 0.00 C ATOM 726 CD GLU A 42 -6.450 17.114 -4.744 1.00 0.00 C ATOM 727 OE1 GLU A 42 -6.112 17.260 -3.549 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.847 18.055 -5.462 1.00 0.00 O ATOM 0 H GLU A 42 -8.698 14.685 -6.236 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.544 13.010 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.862 15.084 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.274 14.398 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.332 15.474 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.887 15.724 -6.310 1.00 0.00 H new ATOM 735 N ALA A 43 -9.137 12.474 -3.794 1.00 0.00 N ATOM 736 CA ALA A 43 -9.744 11.520 -2.878 1.00 0.00 C ATOM 737 C ALA A 43 -10.003 10.221 -3.610 1.00 0.00 C ATOM 738 O ALA A 43 -9.968 9.134 -3.033 1.00 0.00 O ATOM 739 CB ALA A 43 -11.055 12.063 -2.351 1.00 0.00 C ATOM 0 H ALA A 43 -9.754 13.235 -4.078 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.066 11.350 -2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.499 11.340 -1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.875 12.999 -1.823 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.736 12.241 -3.183 1.00 0.00 H new ATOM 745 N GLN A 44 -10.267 10.368 -4.896 1.00 0.00 N ATOM 746 CA GLN A 44 -10.545 9.263 -5.771 1.00 0.00 C ATOM 747 C GLN A 44 -9.246 8.550 -6.154 1.00 0.00 C ATOM 748 O GLN A 44 -9.264 7.419 -6.637 1.00 0.00 O ATOM 749 CB GLN A 44 -11.288 9.801 -6.994 1.00 0.00 C ATOM 750 CG GLN A 44 -12.499 8.974 -7.383 1.00 0.00 C ATOM 751 CD GLN A 44 -12.119 7.688 -8.084 1.00 0.00 C ATOM 752 OE1 GLN A 44 -12.934 6.777 -8.228 1.00 0.00 O ATOM 753 NE2 GLN A 44 -10.870 7.611 -8.524 1.00 0.00 N ATOM 0 H GLN A 44 -10.293 11.276 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.173 8.524 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.607 10.824 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.600 9.841 -7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.078 8.740 -6.490 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.144 9.563 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.230 8.392 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.550 6.771 -9.005 1.00 0.00 H new ATOM 762 N ILE A 45 -8.113 9.209 -5.900 1.00 0.00 N ATOM 763 CA ILE A 45 -6.811 8.622 -6.183 1.00 0.00 C ATOM 764 C ILE A 45 -6.630 7.390 -5.324 1.00 0.00 C ATOM 765 O ILE A 45 -6.447 6.285 -5.834 1.00 0.00 O ATOM 766 CB ILE A 45 -5.670 9.636 -5.922 1.00 0.00 C ATOM 767 CG1 ILE A 45 -5.710 10.746 -6.972 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.309 8.954 -5.923 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.035 10.373 -8.275 1.00 0.00 C ATOM 0 H ILE A 45 -8.076 10.147 -5.500 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.768 8.346 -7.237 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.821 10.071 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.749 11.007 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.230 11.636 -6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.531 9.694 -5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.282 8.195 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.138 8.484 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.102 11.208 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.987 10.140 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.529 9.502 -8.704 1.00 0.00 H new ATOM 781 N LYS A 46 -6.735 7.578 -4.017 1.00 0.00 N ATOM 782 CA LYS A 46 -6.629 6.468 -3.087 1.00 0.00 C ATOM 783 C LYS A 46 -7.697 5.421 -3.402 1.00 0.00 C ATOM 784 O LYS A 46 -7.627 4.285 -2.932 1.00 0.00 O ATOM 785 CB LYS A 46 -6.791 6.960 -1.648 1.00 0.00 C ATOM 786 CG LYS A 46 -5.987 8.210 -1.337 1.00 0.00 C ATOM 787 CD LYS A 46 -6.877 9.439 -1.242 1.00 0.00 C ATOM 788 CE LYS A 46 -7.473 9.590 0.148 1.00 0.00 C ATOM 789 NZ LYS A 46 -7.383 10.991 0.642 1.00 0.00 N ATOM 0 H LYS A 46 -6.893 8.486 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.642 6.017 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.846 7.160 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.490 6.165 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.452 8.074 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.236 8.363 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.298 10.329 -1.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.679 9.366 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.517 9.278 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.953 8.927 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.800 11.051 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.385 11.281 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.901 11.621 -0.004 1.00 0.00 H new ATOM 803 N ILE A 47 -8.704 5.828 -4.181 1.00 0.00 N ATOM 804 CA ILE A 47 -9.807 4.946 -4.539 1.00 0.00 C ATOM 805 C ILE A 47 -9.469 3.970 -5.666 1.00 0.00 C ATOM 806 O ILE A 47 -9.911 2.822 -5.633 1.00 0.00 O ATOM 807 CB ILE A 47 -11.051 5.777 -4.937 1.00 0.00 C ATOM 808 CG1 ILE A 47 -11.994 5.911 -3.746 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.774 5.181 -6.139 1.00 0.00 C ATOM 810 CD1 ILE A 47 -11.493 6.896 -2.720 1.00 0.00 C ATOM 0 H ILE A 47 -8.773 6.767 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.014 4.349 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.709 6.769 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.976 6.226 -4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.122 4.936 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.640 5.795 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.097 5.151 -6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.102 4.169 -5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.202 6.953 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.523 6.569 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.391 7.879 -3.179 1.00 0.00 H new ATOM 822 N TRP A 48 -8.733 4.406 -6.686 1.00 0.00 N ATOM 823 CA TRP A 48 -8.445 3.493 -7.781 1.00 0.00 C ATOM 824 C TRP A 48 -7.404 2.439 -7.400 1.00 0.00 C ATOM 825 O TRP A 48 -7.442 1.328 -7.927 1.00 0.00 O ATOM 826 CB TRP A 48 -8.092 4.207 -9.091 1.00 0.00 C ATOM 827 CG TRP A 48 -7.174 5.386 -8.993 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.510 6.694 -8.828 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.762 5.359 -9.127 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.389 7.474 -8.859 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.298 6.674 -9.031 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.855 4.342 -9.312 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -3.951 6.989 -9.123 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.518 4.641 -9.405 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.075 5.957 -9.311 1.00 0.00 C ATOM 0 H TRP A 48 -8.342 5.344 -6.775 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.378 2.964 -7.974 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.638 3.479 -9.763 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.020 4.537 -9.558 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.516 7.062 -8.692 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.371 8.490 -8.768 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.191 3.318 -9.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.607 8.010 -9.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.802 3.846 -9.553 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.018 6.167 -9.388 1.00 0.00 H new ATOM 846 N PHE A 49 -6.508 2.745 -6.458 1.00 0.00 N ATOM 847 CA PHE A 49 -5.536 1.739 -6.027 1.00 0.00 C ATOM 848 C PHE A 49 -6.272 0.640 -5.278 1.00 0.00 C ATOM 849 O PHE A 49 -6.058 -0.547 -5.522 1.00 0.00 O ATOM 850 CB PHE A 49 -4.446 2.295 -5.106 1.00 0.00 C ATOM 851 CG PHE A 49 -3.907 3.628 -5.487 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.887 3.743 -6.411 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.404 4.763 -4.897 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.377 4.980 -6.740 1.00 0.00 C ATOM 855 CE2 PHE A 49 -3.905 6.000 -5.218 1.00 0.00 C ATOM 856 CZ PHE A 49 -2.887 6.115 -6.143 1.00 0.00 C ATOM 0 H PHE A 49 -6.435 3.650 -5.993 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.044 1.370 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.847 2.360 -4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.621 1.583 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.486 2.856 -6.879 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.199 4.681 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.580 5.061 -7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.309 6.884 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.492 7.087 -6.398 1.00 0.00 H new ATOM 866 N GLN A 50 -7.156 1.051 -4.366 1.00 0.00 N ATOM 867 CA GLN A 50 -7.937 0.100 -3.587 1.00 0.00 C ATOM 868 C GLN A 50 -8.790 -0.754 -4.518 1.00 0.00 C ATOM 869 O GLN A 50 -9.139 -1.890 -4.196 1.00 0.00 O ATOM 870 CB GLN A 50 -8.817 0.831 -2.567 1.00 0.00 C ATOM 871 CG GLN A 50 -9.923 1.661 -3.190 1.00 0.00 C ATOM 872 CD GLN A 50 -10.984 2.066 -2.186 1.00 0.00 C ATOM 873 OE1 GLN A 50 -11.973 1.360 -1.991 1.00 0.00 O ATOM 874 NE2 GLN A 50 -10.783 3.211 -1.542 1.00 0.00 N ATOM 0 H GLN A 50 -7.345 2.030 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.255 -0.550 -3.039 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.262 0.098 -1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.188 1.481 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.492 2.556 -3.638 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.388 1.093 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.949 3.765 -1.735 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.463 3.536 -0.855 1.00 0.00 H new ATOM 883 N ASN A 51 -9.100 -0.202 -5.687 1.00 0.00 N ATOM 884 CA ASN A 51 -9.884 -0.910 -6.684 1.00 0.00 C ATOM 885 C ASN A 51 -8.966 -1.729 -7.583 1.00 0.00 C ATOM 886 O ASN A 51 -9.345 -2.794 -8.072 1.00 0.00 O ATOM 887 CB ASN A 51 -10.698 0.076 -7.525 1.00 0.00 C ATOM 888 CG ASN A 51 -12.068 0.347 -6.934 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.939 -0.523 -6.934 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.265 1.558 -6.427 1.00 0.00 N ATOM 0 H ASN A 51 -8.817 0.738 -5.965 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.573 -1.581 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.150 1.014 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.813 -0.320 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.167 1.798 -6.016 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.514 2.248 -6.448 1.00 0.00 H new