NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7750 | 1kyj | 5301 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 0 1H ACE 0 -4.514 33.387 -28.536 2 2H ACE 0 2H ACE 0 -3.186 32.349 -28.010 3 3H ACE 0 3H ACE 0 -3.062 34.102 -27.831 4 H SER 1 H SER 1 -2.513 32.855 -25.689 5 HA SER 1 HA SER 1 -4.638 33.528 -23.864 6 1HB SER 1 1HB SER 1 -4.565 31.273 -22.734 7 2HB SER 1 2HB SER 1 -5.320 31.265 -24.334 8 H THR 2 H THR 2 -3.905 32.909 -21.530 9 HA THR 2 HA THR 2 -1.166 33.890 -21.242 10 HB THR 2 HB THR 2 -1.916 34.132 -18.799 11 1HG2 THR 2 1HG2 THR 2 -3.417 35.677 -20.902 12 2HG2 THR 2 2HG2 THR 2 -3.276 36.130 -19.204 13 3HG2 THR 2 3HG2 THR 2 -1.839 36.086 -20.228 14 H THR 3 H THR 3 -0.519 33.019 -18.736 15 HA THR 3 HA THR 3 -0.060 30.159 -19.168 16 HB THR 3 HB THR 3 1.741 30.598 -17.386 17 1HG2 THR 3 1HG2 THR 3 2.247 30.457 -19.811 18 2HG2 THR 3 2HG2 THR 3 1.992 32.199 -19.921 19 3HG2 THR 3 3HG2 THR 3 3.306 31.560 -18.930 20 H ALA 4 H ALA 4 -0.372 28.671 -17.458 21 HA ALA 4 HA ALA 4 -2.463 29.454 -15.637 22 1HB ALA 4 1HB ALA 4 -1.211 26.722 -15.781 23 2HB ALA 4 2HB ALA 4 -2.854 27.160 -15.311 24 3HB ALA 4 3HB ALA 4 -2.358 27.272 -17.000 25 H VAL 5 H VAL 5 -1.440 27.249 -13.773 26 HA VAL 5 HA VAL 5 0.851 28.536 -12.526 27 HB VAL 5 HB VAL 5 -0.401 28.410 -10.263 28 1HG1 VAL 5 1HG1 VAL 5 -1.021 30.691 -10.404 29 2HG1 VAL 5 2HG1 VAL 5 0.351 30.472 -11.491 30 3HG1 VAL 5 3HG1 VAL 5 -1.284 30.586 -12.144 31 1HG2 VAL 5 1HG2 VAL 5 -2.397 27.250 -11.124 32 2HG2 VAL 5 2HG2 VAL 5 -2.809 28.791 -10.372 33 3HG2 VAL 5 3HG2 VAL 5 -2.769 28.650 -12.129 34 H2 A2G 7 H2 A2G 7 -2.483 27.367 -23.828 35 H4 A2G 7 H4 A2G 7 -3.696 28.277 -27.646 36 H5 A2G 7 H5 A2G 7 -4.495 29.989 -26.151 37 H1 A2G 7 H1 A2G 7 -3.914 29.050 -22.849 38 H3 A2G 7 H3 A2G 7 -1.890 28.918 -26.336 39 HO4 A2G 7 HO4 A2G 7 -4.521 26.279 -25.706 40 1H6 A2G 7 1H6 A2G 7 -6.910 28.277 -25.963 41 2H6 A2G 7 2H6 A2G 7 -6.681 29.794 -26.822 42 HN2 A2G 7 HN2 A2G 7 -1.087 29.883 -24.478 43 1H8 A2G 7 1H8 A2G 7 0.751 29.605 -21.545 44 2H8 A2G 7 2H8 A2G 7 1.464 29.141 -23.101 45 3H8 A2G 7 3H8 A2G 7 0.394 30.552 -23.001 46 H2 A2G 10 H2 A2G 10 -5.093 32.226 -16.566 47 H4 A2G 10 H4 A2G 10 -7.633 34.475 -18.825 48 H5 A2G 10 H5 A2G 10 -5.393 35.156 -19.309 49 H1 A2G 10 H1 A2G 10 -3.125 33.432 -17.375 50 H3 A2G 10 H3 A2G 10 -6.525 32.498 -19.228 51 HO4 A2G 10 HO4 A2G 10 -6.968 34.446 -16.000 52 1H6 A2G 10 1H6 A2G 10 -5.564 37.052 -17.088 53 2H6 A2G 10 2H6 A2G 10 -5.752 37.339 -18.801 54 HN2 A2G 10 HN2 A2G 10 -4.338 31.320 -19.278 55 1H8 A2G 10 1H8 A2G 10 -2.834 29.111 -18.656 56 2H8 A2G 10 2H8 A2G 10 -4.064 28.040 -17.960 57 3H8 A2G 10 3H8 A2G 10 -4.426 28.971 -19.424 58 H2 A2G 13 H2 A2G 13 1.750 33.781 -14.381 59 H4 A2G 13 H4 A2G 13 3.473 35.854 -17.486 60 H5 A2G 13 H5 A2G 13 3.189 33.617 -18.172 61 H1 A2G 13 H1 A2G 13 1.783 31.716 -15.662 62 H3 A2G 13 H3 A2G 13 1.324 35.538 -16.813 63 HO4 A2G 13 HO4 A2G 13 4.444 35.037 -14.871 64 1H6 A2G 13 1H6 A2G 13 5.738 34.562 -17.745 65 2H6 A2G 13 2H6 A2G 13 5.790 33.058 -16.832 66 HN2 A2G 13 HN2 A2G 13 -0.410 33.743 -16.399 67 1H8 A2G 13 1H8 A2G 13 -2.428 34.458 -15.534 68 2H8 A2G 13 2H8 A2G 13 -2.521 32.871 -14.750 69 3H8 A2G 13 3H8 A2G 13 -2.715 34.347 -13.788 Start of MODEL 2 1 1H ACE 0 1H ACE 0 -7.693 -4.870 -35.164 2 2H ACE 0 2H ACE 0 -8.032 -4.196 -36.761 3 3H ACE 0 3H ACE 0 -8.596 -3.360 -35.311 4 H SER 1 H SER 1 -7.341 -1.837 -36.913 5 HA SER 1 HA SER 1 -4.485 -1.776 -36.506 6 1HB SER 1 1HB SER 1 -4.453 0.076 -37.978 7 2HB SER 1 2HB SER 1 -5.742 -0.959 -38.595 8 H THR 2 H THR 2 -3.337 -0.029 -35.544 9 HA THR 2 HA THR 2 -4.683 1.041 -33.171 10 HB THR 2 HB THR 2 -2.174 1.717 -32.700 11 1HG2 THR 2 1HG2 THR 2 -2.011 -1.094 -32.438 12 2HG2 THR 2 2HG2 THR 2 -2.350 0.109 -31.191 13 3HG2 THR 2 3HG2 THR 2 -3.677 -0.616 -32.099 14 H THR 3 H THR 3 -3.076 3.232 -32.633 15 HA THR 3 HA THR 3 -3.884 5.098 -34.744 16 HB THR 3 HB THR 3 -3.544 6.752 -32.769 17 1HG2 THR 3 1HG2 THR 3 -5.754 6.053 -33.608 18 2HG2 THR 3 2HG2 THR 3 -5.684 4.651 -32.538 19 3HG2 THR 3 3HG2 THR 3 -5.735 6.281 -31.858 20 H ALA 4 H ALA 4 -2.413 7.174 -34.635 21 HA ALA 4 HA ALA 4 0.374 6.607 -34.125 22 1HB ALA 4 1HB ALA 4 0.385 7.589 -36.783 23 2HB ALA 4 2HB ALA 4 0.950 6.025 -36.196 24 3HB ALA 4 3HB ALA 4 -0.718 6.215 -36.737 25 H VAL 5 H VAL 5 1.097 8.371 -33.158 26 HA VAL 5 HA VAL 5 0.589 10.991 -34.319 27 HB VAL 5 HB VAL 5 -1.249 10.719 -32.713 28 1HG1 VAL 5 1HG1 VAL 5 0.791 10.566 -30.511 29 2HG1 VAL 5 2HG1 VAL 5 -0.955 10.340 -30.408 30 3HG1 VAL 5 3HG1 VAL 5 0.045 9.135 -31.219 31 1HG2 VAL 5 1HG2 VAL 5 -0.992 12.794 -31.581 32 2HG2 VAL 5 2HG2 VAL 5 0.766 12.649 -31.568 33 3HG2 VAL 5 3HG2 VAL 5 -0.086 12.933 -33.087 34 H2 A2G 7 H2 A2G 7 -7.563 3.392 -39.155 35 H4 A2G 7 H4 A2G 7 -9.981 0.084 -39.571 36 H5 A2G 7 H5 A2G 7 -7.803 -0.576 -38.740 37 H1 A2G 7 H1 A2G 7 -5.574 2.077 -38.948 38 H3 A2G 7 H3 A2G 7 -9.437 1.458 -37.807 39 HO4 A2G 7 HO4 A2G 7 -8.656 1.849 -41.465 40 1H6 A2G 7 1H6 A2G 7 -8.819 -1.576 -41.038 41 2H6 A2G 7 2H6 A2G 7 -7.312 -0.928 -41.681 42 HN2 A2G 7 HN2 A2G 7 -7.455 2.288 -36.425 43 1H8 A2G 7 1H8 A2G 7 -8.580 4.907 -35.026 44 2H8 A2G 7 2H8 A2G 7 -7.300 3.692 -34.851 45 3H8 A2G 7 3H8 A2G 7 -6.882 5.372 -35.236 46 H2 A2G 10 H2 A2G 10 0.856 1.976 -35.709 47 H4 A2G 10 H4 A2G 10 0.816 -2.086 -35.700 48 H5 A2G 10 H5 A2G 10 -0.376 -1.364 -33.808 49 H1 A2G 10 H1 A2G 10 -0.528 2.084 -33.669 50 H3 A2G 10 H3 A2G 10 -0.646 -0.539 -36.562 51 HO4 A2G 10 HO4 A2G 10 2.873 -0.057 -35.461 52 1H6 A2G 10 1H6 A2G 10 2.492 -2.010 -33.333 53 2H6 A2G 10 2H6 A2G 10 1.697 -1.211 -31.996 54 HN2 A2G 10 HN2 A2G 10 -1.944 1.440 -36.465 55 1H8 A2G 10 1H8 A2G 10 -1.912 3.955 -38.545 56 2H8 A2G 10 2H8 A2G 10 -2.961 3.003 -37.482 57 3H8 A2G 10 3H8 A2G 10 -2.495 4.652 -37.021 58 H2 A2G 13 H2 A2G 13 -1.995 6.211 -28.667 59 H4 A2G 13 H4 A2G 13 -5.179 3.641 -28.292 60 H5 A2G 13 H5 A2G 13 -5.277 4.660 -30.433 61 H1 A2G 13 H1 A2G 13 -2.754 6.999 -30.818 62 H3 A2G 13 H3 A2G 13 -3.017 3.401 -29.009 63 HO4 A2G 13 HO4 A2G 13 -4.548 6.192 -27.058 64 1H6 A2G 13 1H6 A2G 13 -6.785 6.853 -29.086 65 2H6 A2G 13 2H6 A2G 13 -7.310 5.702 -30.296 66 HN2 A2G 13 HN2 A2G 13 -1.375 4.248 -30.770 67 1H8 A2G 13 1H8 A2G 13 1.171 4.734 -31.228 68 2H8 A2G 13 2H8 A2G 13 2.025 4.401 -29.710 69 3H8 A2G 13 3H8 A2G 13 0.823 3.250 -30.322 Start of MODEL 3 1 1H ACE 0 1H ACE 0 18.190 -25.346 -18.889 2 2H ACE 0 2H ACE 0 19.166 -23.906 -19.192 3 3H ACE 0 3H ACE 0 19.668 -25.467 -19.847 4 H SER 1 H SER 1 16.830 -23.389 -19.772 5 HA SER 1 HA SER 1 15.954 -24.210 -22.399 6 1HB SER 1 1HB SER 1 14.131 -22.546 -22.009 7 2HB SER 1 2HB SER 1 14.279 -23.719 -20.698 8 H THR 2 H THR 2 15.468 -22.619 -24.105 9 HA THR 2 HA THR 2 17.688 -20.733 -24.396 10 HB THR 2 HB THR 2 16.788 -20.625 -26.796 11 1HG2 THR 2 1HG2 THR 2 17.469 -23.410 -26.644 12 2HG2 THR 2 2HG2 THR 2 18.400 -22.063 -27.298 13 3HG2 THR 2 3HG2 THR 2 18.515 -22.464 -25.584 14 H THR 3 H THR 3 16.744 -18.933 -26.185 15 HA THR 3 HA THR 3 14.781 -17.440 -24.602 16 HB THR 3 HB THR 3 15.770 -15.517 -26.006 17 1HG2 THR 3 1HG2 THR 3 17.526 -17.026 -24.085 18 2HG2 THR 3 2HG2 THR 3 17.745 -15.342 -24.569 19 3HG2 THR 3 3HG2 THR 3 16.315 -15.816 -23.654 20 H ALA 4 H ALA 4 12.965 -16.607 -25.513 21 HA ALA 4 HA ALA 4 12.169 -17.742 -28.040 22 1HB ALA 4 1HB ALA 4 10.620 -16.102 -26.040 23 2HB ALA 4 2HB ALA 4 9.952 -16.789 -27.520 24 3HB ALA 4 3HB ALA 4 10.559 -17.850 -26.251 25 H VAL 5 H VAL 5 13.117 -16.711 -29.629 26 HA VAL 5 HA VAL 5 13.117 -13.798 -29.760 27 HB VAL 5 HB VAL 5 14.439 -14.107 -31.863 28 1HG1 VAL 5 1HG1 VAL 5 15.452 -13.802 -29.606 29 2HG1 VAL 5 2HG1 VAL 5 15.629 -15.554 -29.507 30 3HG1 VAL 5 3HG1 VAL 5 16.481 -14.649 -30.758 31 1HG2 VAL 5 1HG2 VAL 5 13.595 -16.344 -32.465 32 2HG2 VAL 5 2HG2 VAL 5 15.356 -16.307 -32.384 33 3HG2 VAL 5 3HG2 VAL 5 14.427 -17.025 -31.068 34 H2 A2G 7 H2 A2G 7 13.453 -18.961 -19.614 35 H4 A2G 7 H4 A2G 7 14.575 -21.117 -16.322 36 H5 A2G 7 H5 A2G 7 14.532 -22.604 -18.200 37 H1 A2G 7 H1 A2G 7 13.260 -20.930 -20.994 38 H3 A2G 7 H3 A2G 7 15.732 -19.982 -17.934 39 HO4 A2G 7 HO4 A2G 7 12.010 -20.052 -17.196 40 1H6 A2G 7 1H6 A2G 7 12.965 -24.100 -17.384 41 2H6 A2G 7 2H6 A2G 7 12.833 -22.918 -16.092 42 HN2 A2G 7 HN2 A2G 7 16.133 -19.857 -20.451 43 1H8 A2G 7 1H8 A2G 7 16.581 -16.620 -21.878 44 2H8 A2G 7 2H8 A2G 7 17.525 -17.686 -20.825 45 3H8 A2G 7 3H8 A2G 7 16.781 -18.328 -22.299 46 H2 A2G 10 H2 A2G 10 12.808 -21.398 -28.225 47 H4 A2G 10 H4 A2G 10 13.674 -25.339 -27.722 48 H5 A2G 10 H5 A2G 10 15.680 -24.117 -27.436 49 H1 A2G 10 H1 A2G 10 15.138 -20.724 -27.847 50 H3 A2G 10 H3 A2G 10 13.059 -23.691 -26.252 51 HO4 A2G 10 HO4 A2G 10 12.979 -23.720 -30.029 52 1H6 A2G 10 1H6 A2G 10 16.012 -24.208 -30.380 53 2H6 A2G 10 2H6 A2G 10 16.894 -25.055 -29.128 54 HN2 A2G 10 HN2 A2G 10 13.464 -21.418 -25.344 55 1H8 A2G 10 1H8 A2G 10 11.880 -20.413 -24.079 56 2H8 A2G 10 2H8 A2G 10 12.423 -18.838 -24.683 57 3H8 A2G 10 3H8 A2G 10 10.715 -19.297 -24.812 58 H2 A2G 13 H2 A2G 13 18.576 -15.448 -29.408 59 H4 A2G 13 H4 A2G 13 21.293 -16.863 -26.660 60 H5 A2G 13 H5 A2G 13 19.184 -16.561 -25.579 61 H1 A2G 13 H1 A2G 13 16.915 -15.042 -27.721 62 H3 A2G 13 H3 A2G 13 19.824 -17.848 -28.112 63 HO4 A2G 13 HO4 A2G 13 20.956 -14.251 -27.896 64 1H6 A2G 13 1H6 A2G 13 19.681 -14.884 -24.014 65 2H6 A2G 13 2H6 A2G 13 21.266 -15.294 -24.641 66 HN2 A2G 13 HN2 A2G 13 17.339 -17.997 -28.609 67 1H8 A2G 13 1H8 A2G 13 16.326 -18.398 -31.990 68 2H8 A2G 13 2H8 A2G 13 17.262 -19.438 -30.901 69 3H8 A2G 13 3H8 A2G 13 15.798 -18.630 -30.312 Start of MODEL 4 1 1H ACE 0 1H ACE 0 33.092 36.818 -22.710 2 2H ACE 0 2H ACE 0 33.127 38.297 -21.744 3 3H ACE 0 3H ACE 0 32.022 36.987 -21.315 4 H SER 1 H SER 1 33.449 37.857 -19.372 5 HA SER 1 HA SER 1 35.973 36.490 -19.082 6 1HB SER 1 1HB SER 1 35.966 37.474 -16.811 7 2HB SER 1 2HB SER 1 35.645 38.685 -18.052 8 H THR 2 H THR 2 35.820 35.698 -16.371 9 HA THR 2 HA THR 2 34.355 33.192 -16.682 10 HB THR 2 HB THR 2 35.673 32.569 -14.592 11 1HG2 THR 2 1HG2 THR 2 36.438 32.445 -17.203 12 2HG2 THR 2 2HG2 THR 2 37.787 33.306 -16.459 13 3HG2 THR 2 3HG2 THR 2 37.304 31.723 -15.847 14 H THR 3 H THR 3 33.955 32.399 -14.129 15 HA THR 3 HA THR 3 31.827 34.192 -13.209 16 HB THR 3 HB THR 3 31.101 32.047 -11.992 17 1HG2 THR 3 1HG2 THR 3 30.015 32.797 -14.068 18 2HG2 THR 3 2HG2 THR 3 31.234 31.919 -14.995 19 3HG2 THR 3 3HG2 THR 3 30.112 31.038 -13.955 20 H ALA 4 H ALA 4 31.584 34.629 -10.969 21 HA ALA 4 HA ALA 4 34.097 34.695 -9.562 22 1HB ALA 4 1HB ALA 4 32.410 36.621 -9.735 23 2HB ALA 4 2HB ALA 4 31.472 35.743 -8.527 24 3HB ALA 4 3HB ALA 4 33.103 36.296 -8.148 25 H VAL 5 H VAL 5 32.490 34.714 -6.970 26 HA VAL 5 HA VAL 5 31.772 31.913 -6.673 27 HB VAL 5 HB VAL 5 33.244 31.826 -4.548 28 1HG1 VAL 5 1HG1 VAL 5 35.006 30.779 -5.728 29 2HG1 VAL 5 2HG1 VAL 5 33.544 30.530 -6.685 30 3HG1 VAL 5 3HG1 VAL 5 34.719 31.755 -7.168 31 1HG2 VAL 5 1HG2 VAL 5 35.294 33.139 -4.621 32 2HG2 VAL 5 2HG2 VAL 5 34.758 33.934 -6.101 33 3HG2 VAL 5 3HG2 VAL 5 33.894 34.210 -4.588 34 H2 A2G 7 H2 A2G 7 32.890 39.387 -14.082 35 H4 A2G 7 H4 A2G 7 32.582 42.075 -17.169 36 H5 A2G 7 H5 A2G 7 34.027 40.234 -17.844 37 H1 A2G 7 H1 A2G 7 34.794 38.300 -15.031 38 H3 A2G 7 H3 A2G 7 31.508 40.098 -16.654 39 HO4 A2G 7 HO4 A2G 7 34.056 42.103 -14.656 40 1H6 A2G 7 1H6 A2G 7 35.911 41.516 -18.367 41 2H6 A2G 7 2H6 A2G 7 34.809 42.793 -17.870 42 HN2 A2G 7 HN2 A2G 7 31.960 37.611 -16.240 43 1H8 A2G 7 1H8 A2G 7 29.334 36.710 -14.821 44 2H8 A2G 7 2H8 A2G 7 30.736 35.981 -15.627 45 3H8 A2G 7 3H8 A2G 7 30.442 35.672 -13.905 46 H2 A2G 10 H2 A2G 10 37.120 35.040 -11.406 47 H4 A2G 10 H4 A2G 10 40.170 36.047 -13.933 48 H5 A2G 10 H5 A2G 10 38.892 34.339 -14.971 49 H1 A2G 10 H1 A2G 10 36.322 33.288 -12.899 50 H3 A2G 10 H3 A2G 10 38.015 36.810 -13.706 51 HO4 A2G 10 HO4 A2G 10 40.033 34.692 -11.366 52 1H6 A2G 10 1H6 A2G 10 41.445 33.841 -14.252 53 2H6 A2G 10 2H6 A2G 10 40.680 32.521 -13.378 54 HN2 A2G 10 HN2 A2G 10 35.596 36.212 -13.649 55 1H8 A2G 10 1H8 A2G 10 33.532 37.786 -11.275 56 2H8 A2G 10 2H8 A2G 10 34.074 37.750 -12.963 57 3H8 A2G 10 3H8 A2G 10 33.064 36.439 -12.328 58 H2 A2G 13 H2 A2G 13 33.636 28.692 -10.828 59 H4 A2G 13 H4 A2G 13 32.932 27.511 -14.687 60 H5 A2G 13 H5 A2G 13 31.612 29.433 -14.279 61 H1 A2G 13 H1 A2G 13 32.057 30.538 -11.025 62 H3 A2G 13 H3 A2G 13 34.517 28.853 -13.710 63 HO4 A2G 13 HO4 A2G 13 32.108 26.413 -12.132 64 1H6 A2G 13 1H6 A2G 13 29.315 28.553 -13.956 65 2H6 A2G 13 2H6 A2G 13 30.248 27.507 -15.017 66 HN2 A2G 13 HN2 A2G 13 34.773 30.975 -12.318 67 1H8 A2G 13 1H8 A2G 13 37.568 30.908 -10.192 68 2H8 A2G 13 2H8 A2G 13 36.892 31.498 -11.719 69 3H8 A2G 13 3H8 A2G 13 36.278 32.122 -10.179 Start of MODEL 5 1 1H ACE 0 1H ACE 0 36.265 45.857 -7.411 2 2H ACE 0 2H ACE 0 35.275 44.791 -6.409 3 3H ACE 0 3H ACE 0 34.713 46.422 -6.787 4 H SER 1 H SER 1 33.932 46.908 -8.758 5 HA SER 1 HA SER 1 33.748 44.953 -10.877 6 1HB SER 1 1HB SER 1 31.403 44.636 -10.850 7 2HB SER 1 2HB SER 1 31.883 44.455 -9.163 8 H THR 2 H THR 2 32.985 45.830 -12.826 9 HA THR 2 HA THR 2 33.062 48.760 -12.901 10 HB THR 2 HB THR 2 33.348 48.353 -15.412 11 1HG2 THR 2 1HG2 THR 2 35.327 48.970 -14.433 12 2HG2 THR 2 2HG2 THR 2 35.356 47.575 -13.355 13 3HG2 THR 2 3HG2 THR 2 35.725 47.373 -15.068 14 H THR 3 H THR 3 31.811 49.217 -15.329 15 HA THR 3 HA THR 3 28.999 48.785 -14.633 16 HB THR 3 HB THR 3 28.780 50.686 -16.406 17 1HG2 THR 3 1HG2 THR 3 28.531 51.046 -13.970 18 2HG2 THR 3 2HG2 THR 3 30.276 51.298 -13.872 19 3HG2 THR 3 3HG2 THR 3 29.275 52.411 -14.808 20 H ALA 4 H ALA 4 27.589 48.949 -16.763 21 HA ALA 4 HA ALA 4 28.737 47.561 -19.018 22 1HB ALA 4 1HB ALA 4 27.910 45.510 -18.670 23 2HB ALA 4 2HB ALA 4 27.598 46.018 -17.010 24 3HB ALA 4 3HB ALA 4 26.326 46.143 -18.225 25 H VAL 5 H VAL 5 28.003 48.670 -20.698 26 HA VAL 5 HA VAL 5 25.152 49.232 -20.952 27 HB VAL 5 HB VAL 5 27.226 51.422 -21.267 28 1HG1 VAL 5 1HG1 VAL 5 25.182 52.872 -21.481 29 2HG1 VAL 5 2HG1 VAL 5 25.484 51.783 -22.835 30 3HG1 VAL 5 3HG1 VAL 5 24.240 51.391 -21.647 31 1HG2 VAL 5 1HG2 VAL 5 26.006 52.481 -19.348 32 2HG2 VAL 5 2HG2 VAL 5 25.155 50.953 -19.119 33 3HG2 VAL 5 3HG2 VAL 5 26.906 51.027 -18.923 34 H2 A2G 7 H2 A2G 7 28.056 46.918 -8.233 35 H4 A2G 7 H4 A2G 7 31.215 47.735 -5.760 36 H5 A2G 7 H5 A2G 7 31.979 46.344 -7.603 37 H1 A2G 7 H1 A2G 7 29.223 45.171 -9.392 38 H3 A2G 7 H3 A2G 7 30.462 48.660 -7.735 39 HO4 A2G 7 HO4 A2G 7 28.964 45.912 -5.526 40 1H6 A2G 7 1H6 A2G 7 31.923 43.987 -6.228 41 2H6 A2G 7 2H6 A2G 7 33.009 45.302 -5.830 42 HN2 A2G 7 HN2 A2G 7 29.921 48.124 -10.175 43 1H8 A2G 7 1H8 A2G 7 29.143 49.614 -11.483 44 2H8 A2G 7 2H8 A2G 7 27.647 48.926 -12.140 45 3H8 A2G 7 3H8 A2G 7 27.585 50.390 -11.142 46 H2 A2G 10 H2 A2G 10 31.904 44.997 -17.678 47 H4 A2G 10 H4 A2G 10 35.236 43.111 -16.347 48 H5 A2G 10 H5 A2G 10 35.461 45.394 -15.780 49 H1 A2G 10 H1 A2G 10 32.641 47.162 -16.781 50 H3 A2G 10 H3 A2G 10 33.209 43.529 -15.355 51 HO4 A2G 10 HO4 A2G 10 34.247 43.825 -18.983 52 1H6 A2G 10 1H6 A2G 10 36.447 45.914 -18.523 53 2H6 A2G 10 2H6 A2G 10 37.323 45.873 -17.012 54 HN2 A2G 10 HN2 A2G 10 31.418 45.223 -14.774 55 1H8 A2G 10 1H8 A2G 10 29.396 44.883 -14.132 56 2H8 A2G 10 2H8 A2G 10 28.433 45.972 -15.152 57 3H8 A2G 10 3H8 A2G 10 28.189 44.216 -15.249 58 H2 A2G 13 H2 A2G 13 31.793 51.422 -19.476 59 H4 A2G 13 H4 A2G 13 33.756 53.234 -16.414 60 H5 A2G 13 H5 A2G 13 31.547 52.888 -15.733 61 H1 A2G 13 H1 A2G 13 29.747 51.153 -18.102 62 H3 A2G 13 H3 A2G 13 33.477 51.033 -16.965 63 HO4 A2G 13 HO4 A2G 13 33.117 53.995 -19.128 64 1H6 A2G 13 1H6 A2G 13 32.163 55.339 -15.804 65 2H6 A2G 13 2H6 A2G 13 31.303 55.478 -17.328 66 HN2 A2G 13 HN2 A2G 13 31.889 49.107 -17.655 67 1H8 A2G 13 1H8 A2G 13 32.382 47.105 -20.599 68 2H8 A2G 13 2H8 A2G 13 33.132 47.235 -19.001 69 3H8 A2G 13 3H8 A2G 13 31.370 47.130 -19.146 Start of MODEL 6 1 1H ACE 0 1H ACE 0 18.963 -45.666 14.370 2 2H ACE 0 2H ACE 0 19.266 -46.625 12.918 3 3H ACE 0 3H ACE 0 18.423 -47.345 14.293 4 H SER 1 H SER 1 16.460 -46.200 14.980 5 HA SER 1 HA SER 1 14.973 -44.727 13.000 6 1HB SER 1 1HB SER 1 13.223 -46.361 12.666 7 2HB SER 1 2HB SER 1 14.765 -47.124 12.271 8 H THR 2 H THR 2 12.521 -44.699 13.824 9 HA THR 2 HA THR 2 12.680 -43.822 16.612 10 HB THR 2 HB THR 2 10.346 -42.879 16.004 11 1HG2 THR 2 1HG2 THR 2 11.561 -41.028 15.919 12 2HG2 THR 2 2HG2 THR 2 12.964 -41.892 15.287 13 3HG2 THR 2 3HG2 THR 2 11.713 -41.313 14.183 14 H THR 3 H THR 3 9.986 -44.011 17.316 15 HA THR 3 HA THR 3 9.706 -46.896 17.716 16 HB THR 3 HB THR 3 8.064 -46.066 19.511 17 1HG2 THR 3 1HG2 THR 3 10.308 -46.827 20.116 18 2HG2 THR 3 2HG2 THR 3 10.944 -45.220 19.762 19 3HG2 THR 3 3HG2 THR 3 9.811 -45.445 21.094 20 H ALA 4 H ALA 4 7.823 -47.978 17.186 21 HA ALA 4 HA ALA 4 6.143 -46.651 15.258 22 1HB ALA 4 1HB ALA 4 5.859 -49.502 16.188 23 2HB ALA 4 2HB ALA 4 5.398 -48.800 14.636 24 3HB ALA 4 3HB ALA 4 7.102 -49.015 15.037 25 H VAL 5 H VAL 5 3.927 -48.588 16.052 26 HA VAL 5 HA VAL 5 2.612 -46.757 17.900 27 HB VAL 5 HB VAL 5 0.542 -48.053 17.372 28 1HG1 VAL 5 1HG1 VAL 5 1.155 -46.026 16.133 29 2HG1 VAL 5 2HG1 VAL 5 2.014 -47.017 14.953 30 3HG1 VAL 5 3HG1 VAL 5 0.266 -47.173 15.132 31 1HG2 VAL 5 1HG2 VAL 5 2.276 -49.457 15.329 32 2HG2 VAL 5 2HG2 VAL 5 1.669 -50.195 16.812 33 3HG2 VAL 5 3HG2 VAL 5 0.542 -49.667 15.564 34 H2 A2G 7 H2 A2G 7 12.953 -50.833 14.384 35 H4 A2G 7 H4 A2G 7 17.044 -50.427 14.815 36 H5 A2G 7 H5 A2G 7 16.069 -48.395 13.905 37 H1 A2G 7 H1 A2G 7 12.806 -48.979 12.892 38 H3 A2G 7 H3 A2G 7 15.211 -49.850 16.096 39 HO4 A2G 7 HO4 A2G 7 15.346 -51.978 13.030 40 1H6 A2G 7 1H6 A2G 7 18.083 -48.825 12.755 41 2H6 A2G 7 2H6 A2G 7 17.465 -50.226 11.917 42 HN2 A2G 7 HN2 A2G 7 13.109 -48.380 15.997 43 1H8 A2G 7 1H8 A2G 7 10.888 -49.790 18.269 44 2H8 A2G 7 2H8 A2G 7 11.878 -48.389 17.823 45 3H8 A2G 7 3H8 A2G 7 10.297 -48.637 17.059 46 H2 A2G 10 H2 A2G 10 7.792 -44.809 13.120 47 H4 A2G 10 H4 A2G 10 9.620 -42.362 10.442 48 H5 A2G 10 H5 A2G 10 10.366 -41.730 12.597 49 H1 A2G 10 H1 A2G 10 8.860 -43.693 15.024 50 H3 A2G 10 H3 A2G 10 10.233 -44.372 11.368 51 HO4 A2G 10 HO4 A2G 10 6.908 -42.521 11.469 52 1H6 A2G 10 1H6 A2G 10 9.074 -39.667 13.105 53 2H6 A2G 10 2H6 A2G 10 9.393 -39.836 11.383 54 HN2 A2G 10 HN2 A2G 10 10.594 -45.699 13.439 55 1H8 A2G 10 1H8 A2G 10 9.686 -48.419 14.885 56 2H8 A2G 10 2H8 A2G 10 9.707 -48.889 13.176 57 3H8 A2G 10 3H8 A2G 10 10.915 -47.749 13.796 58 H2 A2G 13 H2 A2G 13 5.938 -42.250 19.636 59 H4 A2G 13 H4 A2G 13 9.457 -41.001 21.316 60 H5 A2G 13 H5 A2G 13 9.591 -43.353 20.993 61 H1 A2G 13 H1 A2G 13 6.682 -44.570 19.611 62 H3 A2G 13 H3 A2G 13 8.683 -41.108 19.170 63 HO4 A2G 13 HO4 A2G 13 6.787 -41.315 22.409 64 1H6 A2G 13 1H6 A2G 13 8.362 -43.951 23.518 65 2H6 A2G 13 2H6 A2G 13 10.071 -43.783 23.155 66 HN2 A2G 13 HN2 A2G 13 7.821 -42.773 17.428 67 1H8 A2G 13 1H8 A2G 13 5.539 -41.194 15.232 68 2H8 A2G 13 2H8 A2G 13 7.227 -41.678 15.474 69 3H8 A2G 13 3H8 A2G 13 5.964 -42.914 15.325 Start of MODEL 7 1 1H ACE 0 1H ACE 0 10.246 -20.540 3.760 2 2H ACE 0 2H ACE 0 10.469 -21.660 5.108 3 3H ACE 0 3H ACE 0 9.735 -22.224 3.604 4 H SER 1 H SER 1 11.634 -20.476 2.138 5 HA SER 1 HA SER 1 13.727 -22.426 1.783 6 1HB SER 1 1HB SER 1 14.314 -21.245 -0.174 7 2HB SER 1 2HB SER 1 12.562 -21.072 -0.070 8 H THR 2 H THR 2 15.934 -22.074 1.947 9 HA THR 2 HA THR 2 16.686 -20.073 3.954 10 HB THR 2 HB THR 2 18.865 -21.501 3.931 11 1HG2 THR 2 1HG2 THR 2 18.075 -22.311 5.825 12 2HG2 THR 2 2HG2 THR 2 16.457 -21.787 5.357 13 3HG2 THR 2 3HG2 THR 2 17.012 -23.410 4.944 14 H THR 3 H THR 3 19.452 -19.964 3.374 15 HA THR 3 HA THR 3 19.421 -18.276 0.994 16 HB THR 3 HB THR 3 21.689 -17.560 2.049 17 1HG2 THR 3 1HG2 THR 3 20.626 -16.004 3.555 18 2HG2 THR 3 2HG2 THR 3 19.652 -16.165 2.094 19 3HG2 THR 3 3HG2 THR 3 19.160 -16.988 3.577 20 H ALA 4 H ALA 4 20.796 -18.598 -0.685 21 HA ALA 4 HA ALA 4 22.007 -21.200 -0.858 22 1HB ALA 4 1HB ALA 4 21.731 -19.034 -2.939 23 2HB ALA 4 2HB ALA 4 22.382 -20.649 -3.223 24 3HB ALA 4 3HB ALA 4 20.695 -20.448 -2.749 25 H VAL 5 H VAL 5 23.820 -21.301 0.193 26 HA VAL 5 HA VAL 5 25.834 -19.203 -0.016 27 HB VAL 5 HB VAL 5 25.886 -21.770 1.594 28 1HG1 VAL 5 1HG1 VAL 5 27.700 -20.540 2.855 29 2HG1 VAL 5 2HG1 VAL 5 28.127 -21.104 1.240 30 3HG1 VAL 5 3HG1 VAL 5 27.744 -19.403 1.508 31 1HG2 VAL 5 1HG2 VAL 5 25.483 -20.239 3.522 32 2HG2 VAL 5 2HG2 VAL 5 25.213 -18.929 2.372 33 3HG2 VAL 5 3HG2 VAL 5 24.132 -20.323 2.392 34 H2 A2G 7 H2 A2G 7 13.966 -16.713 -1.381 35 H4 A2G 7 H4 A2G 7 10.112 -17.236 0.041 36 H5 A2G 7 H5 A2G 7 11.413 -19.268 0.338 37 H1 A2G 7 H1 A2G 7 14.384 -19.067 -1.434 38 H3 A2G 7 H3 A2G 7 12.126 -16.678 1.004 39 HO4 A2G 7 HO4 A2G 7 11.237 -17.016 -2.634 40 1H6 A2G 7 1H6 A2G 7 9.096 -19.210 -1.083 41 2H6 A2G 7 2H6 A2G 7 10.151 -19.918 -2.297 42 HN2 A2G 7 HN2 A2G 7 14.264 -17.357 1.491 43 1H8 A2G 7 1H8 A2G 7 16.888 -15.391 1.711 44 2H8 A2G 7 2H8 A2G 7 16.058 -16.782 2.432 45 3H8 A2G 7 3H8 A2G 7 17.507 -17.028 1.439 46 H2 A2G 10 H2 A2G 10 20.244 -23.997 0.726 47 H4 A2G 10 H4 A2G 10 17.651 -26.781 2.217 48 H5 A2G 10 H5 A2G 10 17.701 -24.957 3.716 49 H1 A2G 10 H1 A2G 10 19.915 -22.522 2.642 50 H3 A2G 10 H3 A2G 10 17.374 -24.981 0.810 51 HO4 A2G 10 HO4 A2G 10 20.514 -26.715 1.763 52 1H6 A2G 10 1H6 A2G 10 18.379 -27.224 4.693 53 2H6 A2G 10 2H6 A2G 10 20.042 -26.662 4.666 54 HN2 A2G 10 HN2 A2G 10 17.686 -22.541 0.482 55 1H8 A2G 10 1H8 A2G 10 18.840 -20.402 -1.419 56 2H8 A2G 10 2H8 A2G 10 18.535 -21.602 -2.688 57 3H8 A2G 10 3H8 A2G 10 17.404 -21.438 -1.333 58 H2 A2G 13 H2 A2G 13 24.005 -19.589 5.193 59 H4 A2G 13 H4 A2G 13 21.152 -17.914 7.609 60 H5 A2G 13 H5 A2G 13 20.793 -17.135 5.405 61 H1 A2G 13 H1 A2G 13 23.164 -18.405 3.231 62 H3 A2G 13 H3 A2G 13 21.265 -19.872 6.434 63 HO4 A2G 13 HO4 A2G 13 24.021 -17.541 7.364 64 1H6 A2G 13 1H6 A2G 13 22.822 -15.039 6.116 65 2H6 A2G 13 2H6 A2G 13 21.147 -14.870 5.637 66 HN2 A2G 13 HN2 A2G 13 21.587 -20.861 4.087 67 1H8 A2G 13 1H8 A2G 13 22.451 -22.851 2.812 68 2H8 A2G 13 2H8 A2G 13 23.496 -23.870 3.819 69 3H8 A2G 13 3H8 A2G 13 21.888 -23.406 4.398 Start of MODEL 8 1 1H ACE 0 1H ACE 0 6.187 -10.935 -44.982 2 2H ACE 0 2H ACE 0 5.505 -12.218 -45.986 3 3H ACE 0 3H ACE 0 6.092 -12.585 -44.361 4 H SER 1 H SER 1 5.094 -11.274 -42.627 5 HA SER 1 HA SER 1 2.376 -10.378 -43.011 6 1HB SER 1 1HB SER 1 1.320 -12.042 -41.634 7 2HB SER 1 2HB SER 1 2.255 -12.907 -42.859 8 H THR 2 H THR 2 1.432 -9.514 -41.034 9 HA THR 2 HA THR 2 3.492 -8.477 -39.227 10 HB THR 2 HB THR 2 1.446 -7.032 -38.467 11 1HG2 THR 2 1HG2 THR 2 2.148 -5.356 -39.766 12 2HG2 THR 2 2HG2 THR 2 3.435 -6.487 -40.181 13 3HG2 THR 2 3HG2 THR 2 2.039 -6.307 -41.247 14 H THR 3 H THR 3 1.991 -7.867 -37.022 15 HA THR 3 HA THR 3 1.488 -10.502 -35.859 16 HB THR 3 HB THR 3 1.679 -9.080 -33.702 17 1HG2 THR 3 1HG2 THR 3 3.940 -9.522 -35.607 18 2HG2 THR 3 2HG2 THR 3 4.205 -8.719 -34.058 19 3HG2 THR 3 3HG2 THR 3 3.574 -10.368 -34.101 20 H ALA 4 H ALA 4 -0.174 -10.277 -33.943 21 HA ALA 4 HA ALA 4 -2.353 -8.464 -34.471 22 1HB ALA 4 1HB ALA 4 -2.382 -11.033 -35.658 23 2HB ALA 4 2HB ALA 4 -3.568 -11.051 -34.353 24 3HB ALA 4 3HB ALA 4 -3.675 -9.836 -35.626 25 H VAL 5 H VAL 5 -2.960 -7.772 -32.537 26 HA VAL 5 HA VAL 5 -2.498 -9.429 -30.182 27 HB VAL 5 HB VAL 5 -3.140 -7.379 -28.897 28 1HG1 VAL 5 1HG1 VAL 5 -1.102 -6.105 -29.454 29 2HG1 VAL 5 2HG1 VAL 5 -0.814 -7.841 -29.332 30 3HG1 VAL 5 3HG1 VAL 5 -0.922 -7.073 -30.916 31 1HG2 VAL 5 1HG2 VAL 5 -3.391 -5.259 -30.023 32 2HG2 VAL 5 2HG2 VAL 5 -3.121 -6.013 -31.595 33 3HG2 VAL 5 3HG2 VAL 5 -4.579 -6.386 -30.676 34 H2 A2G 7 H2 A2G 7 3.211 -15.695 -39.234 35 H4 A2G 7 H4 A2G 7 6.102 -15.622 -42.136 36 H5 A2G 7 H5 A2G 7 4.488 -13.808 -42.492 37 H1 A2G 7 H1 A2G 7 1.692 -14.352 -40.498 38 H3 A2G 7 H3 A2G 7 5.751 -14.413 -40.196 39 HO4 A2G 7 HO4 A2G 7 3.782 -17.329 -41.693 40 1H6 A2G 7 1H6 A2G 7 3.484 -14.581 -44.649 41 2H6 A2G 7 2H6 A2G 7 5.158 -15.044 -44.497 42 HN2 A2G 7 HN2 A2G 7 4.088 -12.898 -38.996 43 1H8 A2G 7 1H8 A2G 7 3.477 -12.108 -36.860 44 2H8 A2G 7 2H8 A2G 7 3.586 -13.233 -35.494 45 3H8 A2G 7 3H8 A2G 7 5.046 -12.796 -36.401 46 H2 A2G 10 H2 A2G 10 -2.714 -7.762 -39.064 47 H4 A2G 10 H4 A2G 10 -2.037 -6.843 -42.976 48 H5 A2G 10 H5 A2G 10 -0.106 -6.285 -41.743 49 H1 A2G 10 H1 A2G 10 -0.487 -6.981 -38.390 50 H3 A2G 10 H3 A2G 10 -1.616 -8.733 -41.736 51 HO4 A2G 10 HO4 A2G 10 -3.830 -5.843 -40.926 52 1H6 A2G 10 1H6 A2G 10 -1.822 -3.765 -41.511 53 2H6 A2G 10 2H6 A2G 10 -0.086 -3.856 -41.678 54 HN2 A2G 10 HN2 A2G 10 -0.639 -9.768 -39.695 55 1H8 A2G 10 1H8 A2G 10 -0.971 -11.735 -38.859 56 2H8 A2G 10 2H8 A2G 10 -1.064 -11.366 -37.125 57 3H8 A2G 10 3H8 A2G 10 -2.446 -12.114 -37.950 58 H2 A2G 13 H2 A2G 13 0.848 -4.876 -33.321 59 H4 A2G 13 H4 A2G 13 4.404 -4.323 -35.220 60 H5 A2G 13 H5 A2G 13 4.303 -6.595 -34.591 61 H1 A2G 13 H1 A2G 13 1.273 -7.278 -33.022 62 H3 A2G 13 H3 A2G 13 2.332 -4.911 -35.979 63 HO4 A2G 13 HO4 A2G 13 3.417 -3.562 -32.594 64 1H6 A2G 13 1H6 A2G 13 5.890 -6.768 -32.844 65 2H6 A2G 13 2H6 A2G 13 6.161 -5.152 -33.478 66 HN2 A2G 13 HN2 A2G 13 0.314 -6.443 -35.769 67 1H8 A2G 13 1H8 A2G 13 -1.654 -5.789 -36.804 68 2H8 A2G 13 2H8 A2G 13 -2.478 -6.679 -35.510 69 3H8 A2G 13 3H8 A2G 13 -2.916 -4.994 -35.845 Start of MODEL 9 1 1H ACE 0 1H ACE 0 -15.171 -5.485 -35.798 2 2H ACE 0 2H ACE 0 -15.010 -6.483 -37.245 3 3H ACE 0 3H ACE 0 -14.415 -4.820 -37.253 4 H SER 1 H SER 1 -13.026 -4.460 -35.173 5 HA SER 1 HA SER 1 -10.676 -6.091 -35.520 6 1HB SER 1 1HB SER 1 -9.548 -4.459 -34.152 7 2HB SER 1 2HB SER 1 -10.607 -3.588 -35.265 8 H THR 2 H THR 2 -9.579 -7.228 -33.925 9 HA THR 2 HA THR 2 -11.319 -8.321 -31.841 10 HB THR 2 HB THR 2 -9.171 -9.896 -31.672 11 1HG2 THR 2 1HG2 THR 2 -11.632 -10.256 -32.705 12 2HG2 THR 2 2HG2 THR 2 -10.640 -10.464 -34.150 13 3HG2 THR 2 3HG2 THR 2 -10.360 -11.477 -32.733 14 H THR 3 H THR 3 -9.475 -9.262 -30.039 15 HA THR 3 HA THR 3 -8.551 -6.793 -28.774 16 HB THR 3 HB THR 3 -8.521 -8.361 -26.731 17 1HG2 THR 3 1HG2 THR 3 -11.091 -8.514 -26.686 18 2HG2 THR 3 2HG2 THR 3 -10.344 -6.917 -26.734 19 3HG2 THR 3 3HG2 THR 3 -11.014 -7.625 -28.207 20 H ALA 4 H ALA 4 -6.465 -6.763 -27.762 21 HA ALA 4 HA ALA 4 -4.677 -8.969 -28.237 22 1HB ALA 4 1HB ALA 4 -4.578 -6.488 -29.867 23 2HB ALA 4 2HB ALA 4 -3.042 -7.181 -29.345 24 3HB ALA 4 3HB ALA 4 -4.167 -8.146 -30.301 25 H VAL 5 H VAL 5 -3.551 -9.157 -26.414 26 HA VAL 5 HA VAL 5 -2.339 -6.808 -25.196 27 HB VAL 5 HB VAL 5 -3.113 -7.704 -22.889 28 1HG1 VAL 5 1HG1 VAL 5 -4.948 -6.198 -22.857 29 2HG1 VAL 5 2HG1 VAL 5 -3.761 -5.547 -23.988 30 3HG1 VAL 5 3HG1 VAL 5 -5.202 -6.366 -24.593 31 1HG2 VAL 5 1HG2 VAL 5 -5.344 -8.793 -24.618 32 2HG2 VAL 5 2HG2 VAL 5 -4.147 -9.773 -23.770 33 3HG2 VAL 5 3HG2 VAL 5 -5.289 -8.788 -22.857 34 H2 A2G 7 H2 A2G 7 -10.900 -1.306 -31.084 35 H4 A2G 7 H4 A2G 7 -14.169 -0.921 -33.599 36 H5 A2G 7 H5 A2G 7 -12.609 -2.456 -34.584 37 H1 A2G 7 H1 A2G 7 -9.661 -2.509 -32.749 38 H3 A2G 7 H3 A2G 7 -13.644 -2.297 -31.847 39 HO4 A2G 7 HO4 A2G 7 -11.943 0.852 -32.973 40 1H6 A2G 7 1H6 A2G 7 -12.517 -1.341 -36.567 41 2H6 A2G 7 2H6 A2G 7 -13.135 0.063 -35.726 42 HN2 A2G 7 HN2 A2G 7 -12.237 -3.950 -31.137 43 1H8 A2G 7 1H8 A2G 7 -11.567 -5.415 -29.737 44 2H8 A2G 7 2H8 A2G 7 -10.058 -5.195 -28.837 45 3H8 A2G 7 3H8 A2G 7 -11.581 -4.580 -28.175 46 H2 A2G 10 H2 A2G 10 -5.374 -9.138 -33.490 47 H4 A2G 10 H4 A2G 10 -7.266 -9.941 -37.018 48 H5 A2G 10 H5 A2G 10 -8.694 -10.577 -35.256 49 H1 A2G 10 H1 A2G 10 -7.295 -9.943 -32.185 50 H3 A2G 10 H3 A2G 10 -7.226 -8.082 -35.666 51 HO4 A2G 10 HO4 A2G 10 -4.858 -10.915 -35.736 52 1H6 A2G 10 1H6 A2G 10 -6.921 -13.014 -35.754 53 2H6 A2G 10 2H6 A2G 10 -8.549 -13.049 -35.147 54 HN2 A2G 10 HN2 A2G 10 -7.533 -7.123 -33.407 55 1H8 A2G 10 1H8 A2G 10 -6.281 -5.590 -30.997 56 2H8 A2G 10 2H8 A2G 10 -5.332 -4.807 -32.275 57 3H8 A2G 10 3H8 A2G 10 -7.027 -5.235 -32.567 58 H2 A2G 13 H2 A2G 13 -8.246 -12.665 -26.545 59 H4 A2G 13 H4 A2G 13 -12.175 -12.703 -27.691 60 H5 A2G 13 H5 A2G 13 -11.508 -10.427 -27.367 61 H1 A2G 13 H1 A2G 13 -8.242 -10.270 -26.188 62 H3 A2G 13 H3 A2G 13 -10.200 -12.510 -28.852 63 HO4 A2G 13 HO4 A2G 13 -10.782 -13.434 -25.240 64 1H6 A2G 13 1H6 A2G 13 -13.179 -9.994 -25.913 65 2H6 A2G 13 2H6 A2G 13 -13.254 -11.698 -25.529 66 HN2 A2G 13 HN2 A2G 13 -8.019 -11.204 -29.089 67 1H8 A2G 13 1H8 A2G 13 -5.090 -11.649 -29.394 68 2H8 A2G 13 2H8 A2G 13 -5.400 -13.282 -30.014 69 3H8 A2G 13 3H8 A2G 13 -6.476 -11.946 -30.461 Start of MODEL 10 1 1H ACE 0 1H ACE 0 32.143 -20.931 18.709 2 2H ACE 0 2H ACE 0 33.298 -21.381 17.451 3 3H ACE 0 3H ACE 0 31.760 -22.239 17.586 4 H SER 1 H SER 1 32.148 -21.475 15.228 5 HA SER 1 HA SER 1 30.222 -19.374 14.747 6 1HB SER 1 1HB SER 1 31.661 -17.990 13.387 7 2HB SER 1 2HB SER 1 32.444 -18.196 14.958 8 H THR 2 H THR 2 29.505 -19.292 12.549 9 HA THR 2 HA THR 2 29.884 -21.837 11.152 10 HB THR 2 HB THR 2 27.944 -20.863 9.733 11 1HG2 THR 2 1HG2 THR 2 27.885 -22.547 11.802 12 2HG2 THR 2 2HG2 THR 2 26.946 -21.220 12.489 13 3HG2 THR 2 3HG2 THR 2 26.432 -21.977 10.983 14 H THR 3 H THR 3 29.336 -21.252 8.585 15 HA THR 3 HA THR 3 31.604 -19.563 7.813 16 HB THR 3 HB THR 3 31.415 -20.923 5.662 17 1HG2 THR 3 1HG2 THR 3 31.988 -23.132 7.094 18 2HG2 THR 3 2HG2 THR 3 33.133 -21.821 6.806 19 3HG2 THR 3 3HG2 THR 3 32.217 -21.884 8.315 20 H ALA 4 H ALA 4 31.334 -18.464 5.652 21 HA ALA 4 HA ALA 4 28.634 -17.844 4.883 22 1HB ALA 4 1HB ALA 4 30.170 -16.057 6.624 23 2HB ALA 4 2HB ALA 4 29.511 -15.272 5.188 24 3HB ALA 4 3HB ALA 4 28.438 -16.117 6.303 25 H VAL 5 H VAL 5 28.625 -17.714 2.762 26 HA VAL 5 HA VAL 5 30.745 -16.311 1.347 27 HB VAL 5 HB VAL 5 31.525 -18.653 1.461 28 1HG1 VAL 5 1HG1 VAL 5 30.355 -20.470 0.606 29 2HG1 VAL 5 2HG1 VAL 5 29.117 -19.554 1.460 30 3HG1 VAL 5 3HG1 VAL 5 29.234 -19.455 -0.298 31 1HG2 VAL 5 1HG2 VAL 5 31.768 -17.040 -0.584 32 2HG2 VAL 5 2HG2 VAL 5 32.263 -18.725 -0.727 33 3HG2 VAL 5 3HG2 VAL 5 30.712 -18.203 -1.384 34 H2 A2G 7 H2 A2G 7 36.186 -18.441 12.139 35 H4 A2G 7 H4 A2G 7 36.443 -20.568 15.634 36 H5 A2G 7 H5 A2G 7 34.209 -19.683 15.449 37 H1 A2G 7 H1 A2G 7 34.040 -17.520 12.701 38 H3 A2G 7 H3 A2G 7 35.761 -21.101 13.496 39 HO4 A2G 7 HO4 A2G 7 37.438 -17.954 14.842 40 1H6 A2G 7 1H6 A2G 7 34.164 -18.195 17.304 41 2H6 A2G 7 2H6 A2G 7 35.670 -19.066 17.538 42 HN2 A2G 7 HN2 A2G 7 34.079 -20.450 11.664 43 1H8 A2G 7 1H8 A2G 7 35.435 -21.424 8.814 44 2H8 A2G 7 2H8 A2G 7 33.914 -21.224 9.704 45 3H8 A2G 7 3H8 A2G 7 34.365 -20.059 8.445 46 H2 A2G 10 H2 A2G 10 26.731 -16.756 9.327 47 H4 A2G 10 H4 A2G 10 25.203 -17.157 13.094 48 H5 A2G 10 H5 A2G 10 25.850 -19.288 12.333 49 H1 A2G 10 H1 A2G 10 27.135 -19.173 9.140 50 H3 A2G 10 H3 A2G 10 27.340 -16.817 12.306 51 HO4 A2G 10 HO4 A2G 10 24.138 -16.278 10.551 52 1H6 A2G 10 1H6 A2G 10 22.940 -18.733 11.632 53 2H6 A2G 10 2H6 A2G 10 23.626 -20.334 11.528 54 HN2 A2G 10 HN2 A2G 10 29.167 -17.572 10.782 55 1H8 A2G 10 1H8 A2G 10 31.069 -16.577 8.497 56 2H8 A2G 10 2H8 A2G 10 30.910 -15.047 9.380 57 3H8 A2G 10 3H8 A2G 10 30.966 -16.580 10.268 58 H2 A2G 13 H2 A2G 13 27.911 -22.870 4.010 59 H4 A2G 13 H4 A2G 13 28.730 -25.857 6.684 60 H5 A2G 13 H5 A2G 13 30.497 -24.265 6.803 61 H1 A2G 13 H1 A2G 13 30.010 -21.735 4.469 62 H3 A2G 13 H3 A2G 13 27.599 -23.875 6.844 63 HO4 A2G 13 HO4 A2G 13 28.850 -25.700 3.779 64 1H6 A2G 13 1H6 A2G 13 32.260 -25.633 6.174 65 2H6 A2G 13 2H6 A2G 13 30.965 -26.773 5.914 66 HN2 A2G 13 HN2 A2G 13 27.516 -21.572 6.627 67 1H8 A2G 13 1H8 A2G 13 25.126 -19.646 5.281 68 2H8 A2G 13 2H8 A2G 13 26.205 -19.913 6.663 69 3H8 A2G 13 3H8 A2G 13 26.660 -18.764 5.391 Start of MODEL 11 1 1H ACE 0 1H ACE 0 18.041 49.177 -42.329 2 2H ACE 0 2H ACE 0 16.623 48.726 -41.379 3 3H ACE 0 3H ACE 0 17.805 47.497 -41.840 4 H SER 1 H SER 1 17.350 47.350 -39.398 5 HA SER 1 HA SER 1 18.890 49.145 -37.733 6 1HB SER 1 1HB SER 1 18.231 47.575 -35.910 7 2HB SER 1 2HB SER 1 16.844 48.137 -36.846 8 H THR 2 H THR 2 20.802 48.663 -36.640 9 HA THR 2 HA THR 2 22.406 46.557 -37.887 10 HB THR 2 HB THR 2 24.285 47.784 -36.586 11 1HG2 THR 2 1HG2 THR 2 23.023 49.635 -38.535 12 2HG2 THR 2 2HG2 THR 2 24.717 49.193 -38.325 13 3HG2 THR 2 3HG2 THR 2 23.599 48.059 -39.083 14 H THR 3 H THR 3 24.300 46.209 -35.800 15 HA THR 3 HA THR 3 22.740 44.530 -33.977 16 HB THR 3 HB THR 3 25.085 43.560 -33.536 17 1HG2 THR 3 1HG2 THR 3 25.036 42.117 -35.363 18 2HG2 THR 3 2HG2 THR 3 23.351 42.593 -35.145 19 3HG2 THR 3 3HG2 THR 3 24.321 43.336 -36.418 20 H ALA 4 H ALA 4 23.890 44.244 -31.771 21 HA ALA 4 HA ALA 4 25.229 46.590 -30.789 22 1HB ALA 4 1HB ALA 4 22.767 45.849 -29.268 23 2HB ALA 4 2HB ALA 4 23.596 47.402 -29.380 24 3HB ALA 4 3HB ALA 4 22.597 46.836 -30.716 25 H VAL 5 H VAL 5 24.358 45.820 -28.007 26 HA VAL 5 HA VAL 5 26.285 43.664 -27.651 27 HB VAL 5 HB VAL 5 24.885 45.295 -25.516 28 1HG1 VAL 5 1HG1 VAL 5 26.860 44.575 -24.149 29 2HG1 VAL 5 2HG1 VAL 5 25.748 43.279 -24.590 30 3HG1 VAL 5 3HG1 VAL 5 27.276 43.464 -25.452 31 1HG2 VAL 5 1HG2 VAL 5 26.133 46.835 -26.848 32 2HG2 VAL 5 2HG2 VAL 5 27.088 46.517 -25.399 33 3HG2 VAL 5 3HG2 VAL 5 27.516 45.744 -26.927 34 H2 A2G 7 H2 A2G 7 16.769 43.495 -35.407 35 H4 A2G 7 H4 A2G 7 14.441 43.900 -38.756 36 H5 A2G 7 H5 A2G 7 15.453 46.039 -38.253 37 H1 A2G 7 H1 A2G 7 17.101 45.870 -35.187 38 H3 A2G 7 H3 A2G 7 16.675 43.464 -38.422 39 HO4 A2G 7 HO4 A2G 7 13.830 43.651 -35.930 40 1H6 A2G 7 1H6 A2G 7 13.152 46.739 -36.634 41 2H6 A2G 7 2H6 A2G 7 13.444 47.095 -38.325 42 HN2 A2G 7 HN2 A2G 7 18.807 44.384 -37.342 43 1H8 A2G 7 1H8 A2G 7 21.164 43.034 -35.565 44 2H8 A2G 7 2H8 A2G 7 20.737 41.781 -36.743 45 3H8 A2G 7 3H8 A2G 7 20.707 43.489 -37.217 46 H2 A2G 10 H2 A2G 10 23.903 50.179 -33.050 47 H4 A2G 10 H4 A2G 10 22.858 53.140 -35.649 48 H5 A2G 10 H5 A2G 10 23.567 51.284 -36.930 49 H1 A2G 10 H1 A2G 10 24.507 48.665 -34.866 50 H3 A2G 10 H3 A2G 10 21.664 51.430 -34.687 51 HO4 A2G 10 HO4 A2G 10 25.038 52.781 -33.760 52 1H6 A2G 10 1H6 A2G 10 25.100 53.534 -36.909 53 2H6 A2G 10 2H6 A2G 10 26.335 52.351 -36.484 54 HN2 A2G 10 HN2 A2G 10 21.478 48.996 -34.260 55 1H8 A2G 10 1H8 A2G 10 20.280 47.796 -32.977 56 2H8 A2G 10 2H8 A2G 10 21.365 46.658 -32.151 57 3H8 A2G 10 3H8 A2G 10 20.498 47.898 -31.219 58 H2 A2G 13 H2 A2G 13 28.770 45.900 -33.955 59 H4 A2G 13 H4 A2G 13 28.522 44.671 -37.792 60 H5 A2G 13 H5 A2G 13 26.894 43.458 -36.572 61 H1 A2G 13 H1 A2G 13 26.864 44.481 -33.254 62 H3 A2G 13 H3 A2G 13 27.454 46.333 -36.656 63 HO4 A2G 13 HO4 A2G 13 30.454 44.208 -35.679 64 1H6 A2G 13 1H6 A2G 13 28.834 41.485 -35.687 65 2H6 A2G 13 2H6 A2G 13 27.736 41.417 -37.053 66 HN2 A2G 13 HN2 A2G 13 26.275 47.244 -34.784 67 1H8 A2G 13 1H8 A2G 13 26.253 49.422 -33.927 68 2H8 A2G 13 2H8 A2G 13 25.696 48.707 -32.406 69 3H8 A2G 13 3H8 A2G 13 27.108 49.771 -32.418 Start of MODEL 12 1 1H ACE 0 1H ACE 0 18.239 33.232 -12.356 2 2H ACE 0 2H ACE 0 16.605 33.860 -12.600 3 3H ACE 0 3H ACE 0 16.885 32.552 -11.447 4 H SER 1 H SER 1 18.782 33.163 -9.923 5 HA SER 1 HA SER 1 17.843 35.410 -8.373 6 1HB SER 1 1HB SER 1 19.448 34.626 -6.683 7 2HB SER 1 2HB SER 1 18.466 33.290 -7.286 8 H THR 2 H THR 2 19.742 36.667 -7.184 9 HA THR 2 HA THR 2 21.228 37.997 -9.324 10 HB THR 2 HB THR 2 21.693 39.714 -7.546 11 1HG2 THR 2 1HG2 THR 2 19.130 39.149 -8.764 12 2HG2 THR 2 2HG2 THR 2 18.987 40.061 -7.259 13 3HG2 THR 2 3HG2 THR 2 19.995 40.674 -8.576 14 H THR 3 H THR 3 23.337 39.061 -8.397 15 HA THR 3 HA THR 3 24.984 36.845 -7.371 16 HB THR 3 HB THR 3 26.863 38.116 -8.447 17 1HG2 THR 3 1HG2 THR 3 24.552 37.497 -10.268 18 2HG2 THR 3 2HG2 THR 3 26.242 37.661 -10.757 19 3HG2 THR 3 3HG2 THR 3 25.755 36.337 -9.699 20 H ALA 4 H ALA 4 27.159 38.004 -6.436 21 HA ALA 4 HA ALA 4 26.567 40.269 -4.754 22 1HB ALA 4 1HB ALA 4 25.901 39.115 -2.967 23 2HB ALA 4 2HB ALA 4 26.275 37.577 -3.746 24 3HB ALA 4 3HB ALA 4 27.529 38.449 -2.863 25 H VAL 5 H VAL 5 28.322 41.476 -4.831 26 HA VAL 5 HA VAL 5 30.906 40.257 -5.405 27 HB VAL 5 HB VAL 5 30.192 42.231 -6.711 28 1HG1 VAL 5 1HG1 VAL 5 30.576 43.884 -4.228 29 2HG1 VAL 5 2HG1 VAL 5 29.947 44.390 -5.795 30 3HG1 VAL 5 3HG1 VAL 5 28.995 43.323 -4.764 31 1HG2 VAL 5 1HG2 VAL 5 32.603 41.685 -6.276 32 2HG2 VAL 5 2HG2 VAL 5 32.292 43.379 -6.659 33 3HG2 VAL 5 3HG2 VAL 5 32.582 42.890 -4.989 34 H2 A2G 7 H2 A2G 7 23.214 32.134 -6.666 35 H4 A2G 7 H4 A2G 7 20.549 29.178 -7.679 36 H5 A2G 7 H5 A2G 7 19.389 31.306 -7.608 37 H1 A2G 7 H1 A2G 7 21.489 33.744 -6.254 38 H3 A2G 7 H3 A2G 7 21.794 30.688 -8.904 39 HO4 A2G 7 HO4 A2G 7 21.903 29.915 -5.209 40 1H6 A2G 7 1H6 A2G 7 18.913 29.232 -5.706 41 2H6 A2G 7 2H6 A2G 7 18.764 30.741 -4.816 42 HN2 A2G 7 HN2 A2G 7 22.254 33.179 -9.248 43 1H8 A2G 7 1H8 A2G 7 24.307 33.355 -10.773 44 2H8 A2G 7 2H8 A2G 7 24.006 34.875 -9.913 45 3H8 A2G 7 3H8 A2G 7 25.628 34.156 -9.904 46 H2 A2G 10 H2 A2G 10 22.177 39.417 -3.328 47 H4 A2G 10 H4 A2G 10 18.135 38.895 -3.100 48 H5 A2G 10 H5 A2G 10 18.646 39.537 -5.307 49 H1 A2G 10 H1 A2G 10 22.062 40.073 -5.673 50 H3 A2G 10 H3 A2G 10 19.866 37.484 -3.622 51 HO4 A2G 10 HO4 A2G 10 19.997 40.770 -1.911 52 1H6 A2G 10 1H6 A2G 10 17.053 41.068 -3.982 53 2H6 A2G 10 2H6 A2G 10 18.364 42.219 -3.886 54 HN2 A2G 10 HN2 A2G 10 21.805 37.049 -5.052 55 1H8 A2G 10 1H8 A2G 10 24.485 36.237 -5.260 56 2H8 A2G 10 2H8 A2G 10 24.717 35.679 -3.594 57 3H8 A2G 10 3H8 A2G 10 23.207 35.314 -4.450 58 H2 A2G 13 H2 A2G 13 27.014 42.520 -8.653 59 H4 A2G 13 H4 A2G 13 25.388 41.613 -12.272 60 H5 A2G 13 H5 A2G 13 26.067 39.591 -11.314 61 H1 A2G 13 H1 A2G 13 27.299 40.138 -8.121 62 H3 A2G 13 H3 A2G 13 24.489 41.923 -10.227 63 HO4 A2G 13 HO4 A2G 13 27.841 42.949 -11.491 64 1H6 A2G 13 1H6 A2G 13 28.850 40.140 -12.190 65 2H6 A2G 13 2H6 A2G 13 27.738 38.914 -12.720 66 HN2 A2G 13 HN2 A2G 13 24.341 41.498 -7.936 67 1H8 A2G 13 1H8 A2G 13 24.881 42.089 -4.677 68 2H8 A2G 13 2H8 A2G 13 24.142 43.494 -5.463 69 3H8 A2G 13 3H8 A2G 13 23.678 41.856 -5.957 Start of MODEL 13 1 1H ACE 0 1H ACE 0 -1.401 7.474 -15.469 2 2H ACE 0 2H ACE 0 -2.766 7.198 -16.554 3 3H ACE 0 3H ACE 0 -3.041 7.860 -14.940 4 H SER 1 H SER 1 -4.190 9.242 -16.685 5 HA SER 1 HA SER 1 -2.548 11.266 -17.917 6 1HB SER 1 1HB SER 1 -4.607 12.183 -18.771 7 2HB SER 1 2HB SER 1 -4.690 10.428 -18.921 8 H THR 2 H THR 2 -3.530 13.634 -17.607 9 HA THR 2 HA THR 2 -3.138 14.229 -14.772 10 HB THR 2 HB THR 2 -3.009 16.634 -15.732 11 1HG2 THR 2 1HG2 THR 2 -1.068 14.657 -15.415 12 2HG2 THR 2 2HG2 THR 2 -0.756 15.381 -16.994 13 3HG2 THR 2 3HG2 THR 2 -0.816 16.397 -15.552 14 H THR 3 H THR 3 -4.309 16.642 -14.456 15 HA THR 3 HA THR 3 -7.165 15.992 -14.597 16 HB THR 3 HB THR 3 -7.277 17.755 -12.758 17 1HG2 THR 3 1HG2 THR 3 -5.469 15.420 -12.187 18 2HG2 THR 3 2HG2 THR 3 -6.409 16.339 -11.009 19 3HG2 THR 3 3HG2 THR 3 -7.234 15.351 -12.217 20 H ALA 4 H ALA 4 -8.522 18.096 -14.511 21 HA ALA 4 HA ALA 4 -7.465 20.304 -16.030 22 1HB ALA 4 1HB ALA 4 -8.224 19.702 -18.042 23 2HB ALA 4 2HB ALA 4 -8.840 18.192 -17.369 24 3HB ALA 4 3HB ALA 4 -9.863 19.629 -17.400 25 H VAL 5 H VAL 5 -8.184 21.994 -14.905 26 HA VAL 5 HA VAL 5 -11.015 22.201 -14.245 27 HB VAL 5 HB VAL 5 -10.266 23.095 -11.906 28 1HG1 VAL 5 1HG1 VAL 5 -11.671 21.074 -12.437 29 2HG1 VAL 5 2HG1 VAL 5 -10.192 20.118 -12.333 30 3HG1 VAL 5 3HG1 VAL 5 -10.773 21.004 -10.922 31 1HG2 VAL 5 1HG2 VAL 5 -8.329 21.975 -10.958 32 2HG2 VAL 5 2HG2 VAL 5 -8.020 21.153 -12.487 33 3HG2 VAL 5 3HG2 VAL 5 -7.838 22.904 -12.373 34 H2 A2G 7 H2 A2G 7 -9.095 11.799 -17.686 35 H4 A2G 7 H4 A2G 7 -8.187 7.783 -17.648 36 H5 A2G 7 H5 A2G 7 -6.165 9.076 -18.036 37 H1 A2G 7 H1 A2G 7 -7.008 12.396 -18.680 38 H3 A2G 7 H3 A2G 7 -8.153 9.459 -16.075 39 HO4 A2G 7 HO4 A2G 7 -9.472 9.466 -19.643 40 1H6 A2G 7 1H6 A2G 7 -5.912 8.651 -20.633 41 2H6 A2G 7 2H6 A2G 7 -6.089 7.283 -19.551 42 HN2 A2G 7 HN2 A2G 7 -7.027 11.692 -15.595 43 1H8 A2G 7 1H8 A2G 7 -7.297 12.985 -13.938 44 2H8 A2G 7 2H8 A2G 7 -8.407 14.354 -14.132 45 3H8 A2G 7 3H8 A2G 7 -8.952 12.883 -13.307 46 H2 A2G 10 H2 A2G 10 -4.621 18.129 -19.399 47 H4 A2G 10 H4 A2G 10 -1.605 16.067 -21.202 48 H5 A2G 10 H5 A2G 10 -1.176 16.075 -18.881 49 H1 A2G 10 H1 A2G 10 -3.669 17.751 -17.177 50 H3 A2G 10 H3 A2G 10 -3.652 15.447 -20.403 51 HO4 A2G 10 HO4 A2G 10 -2.323 18.872 -21.152 52 1H6 A2G 10 1H6 A2G 10 0.089 18.746 -19.262 53 2H6 A2G 10 2H6 A2G 10 0.796 17.222 -18.770 54 HN2 A2G 10 HN2 A2G 10 -5.164 15.317 -18.665 55 1H8 A2G 10 1H8 A2G 10 -7.179 14.817 -18.253 56 2H8 A2G 10 2H8 A2G 10 -8.000 16.063 -17.289 57 3H8 A2G 10 3H8 A2G 10 -8.422 15.841 -18.999 58 H2 A2G 13 H2 A2G 13 -4.614 21.132 -12.183 59 H4 A2G 13 H4 A2G 13 -2.356 18.347 -10.160 60 H5 A2G 13 H5 A2G 13 -4.394 17.339 -10.796 61 H1 A2G 13 H1 A2G 13 -6.447 19.564 -12.433 62 H3 A2G 13 H3 A2G 13 -2.461 19.014 -12.344 63 HO4 A2G 13 HO4 A2G 13 -3.668 20.802 -9.339 64 1H6 A2G 13 1H6 A2G 13 -3.887 17.538 -8.214 65 2H6 A2G 13 2H6 A2G 13 -5.316 18.568 -8.187 66 HN2 A2G 13 HN2 A2G 13 -4.072 19.167 -14.313 67 1H8 A2G 13 1H8 A2G 13 -3.565 19.935 -16.230 68 2H8 A2G 13 2H8 A2G 13 -4.780 21.176 -16.591 69 3H8 A2G 13 3H8 A2G 13 -3.073 21.629 -16.419 Start of MODEL 14 1 1H ACE 0 1H ACE 0 -24.618 67.597 -68.527 2 2H ACE 0 2H ACE 0 -25.539 68.981 -69.122 3 3H ACE 0 3H ACE 0 -25.732 67.399 -69.883 4 H SER 1 H SER 1 -26.255 65.646 -68.265 5 HA SER 1 HA SER 1 -28.747 66.361 -66.985 6 1HB SER 1 1HB SER 1 -28.849 63.883 -66.513 7 2HB SER 1 2HB SER 1 -28.678 64.286 -68.224 8 H THR 2 H THR 2 -29.270 65.641 -64.765 9 HA THR 2 HA THR 2 -27.032 66.240 -62.972 10 HB THR 2 HB THR 2 -28.982 66.283 -61.268 11 1HG2 THR 2 1HG2 THR 2 -29.886 68.468 -62.611 12 2HG2 THR 2 2HG2 THR 2 -28.468 68.439 -61.562 13 3HG2 THR 2 3HG2 THR 2 -28.278 68.259 -63.306 14 H THR 3 H THR 3 -27.901 64.986 -60.624 15 HA THR 3 HA THR 3 -27.328 62.190 -61.280 16 HB THR 3 HB THR 3 -26.853 62.105 -58.757 17 1HG2 THR 3 1HG2 THR 3 -25.019 62.212 -60.315 18 2HG2 THR 3 2HG2 THR 3 -25.238 63.956 -60.482 19 3HG2 THR 3 3HG2 THR 3 -24.701 63.278 -58.945 20 H ALA 4 H ALA 4 -28.614 60.505 -60.561 21 HA ALA 4 HA ALA 4 -31.331 61.248 -59.960 22 1HB ALA 4 1HB ALA 4 -31.914 59.035 -60.528 23 2HB ALA 4 2HB ALA 4 -30.598 59.447 -61.627 24 3HB ALA 4 3HB ALA 4 -30.286 58.435 -60.216 25 H VAL 5 H VAL 5 -31.581 58.536 -58.551 26 HA VAL 5 HA VAL 5 -30.332 59.095 -55.979 27 HB VAL 5 HB VAL 5 -33.340 58.806 -56.228 28 1HG1 VAL 5 1HG1 VAL 5 -33.276 59.411 -53.794 29 2HG1 VAL 5 2HG1 VAL 5 -32.616 57.824 -54.186 30 3HG1 VAL 5 3HG1 VAL 5 -31.531 59.173 -53.847 31 1HG2 VAL 5 1HG2 VAL 5 -32.724 61.004 -56.980 32 2HG2 VAL 5 2HG2 VAL 5 -33.373 61.150 -55.346 33 3HG2 VAL 5 3HG2 VAL 5 -31.631 61.221 -55.614 34 H2 A2G 7 H2 A2G 7 -26.029 60.636 -66.104 35 H4 A2G 7 H4 A2G 7 -24.765 61.377 -69.967 36 H5 A2G 7 H5 A2G 7 -26.535 62.911 -69.392 37 H1 A2G 7 H1 A2G 7 -27.971 62.015 -66.365 38 H3 A2G 7 H3 A2G 7 -24.176 62.189 -67.900 39 HO4 A2G 7 HO4 A2G 7 -26.283 59.213 -68.752 40 1H6 A2G 7 1H6 A2G 7 -26.800 61.028 -71.416 41 2H6 A2G 7 2H6 A2G 7 -28.311 60.819 -70.542 42 HN2 A2G 7 HN2 A2G 7 -24.859 63.345 -66.031 43 1H8 A2G 7 1H8 A2G 7 -23.708 63.560 -63.904 44 2H8 A2G 7 2H8 A2G 7 -25.314 64.198 -63.518 45 3H8 A2G 7 3H8 A2G 7 -24.591 62.946 -62.494 46 H2 A2G 10 H2 A2G 10 -32.528 63.915 -61.779 47 H4 A2G 10 H4 A2G 10 -33.992 67.249 -63.606 48 H5 A2G 10 H5 A2G 10 -31.850 67.785 -62.784 49 H1 A2G 10 H1 A2G 10 -30.500 65.064 -61.092 50 H3 A2G 10 H3 A2G 10 -32.714 65.486 -64.361 51 HO4 A2G 10 HO4 A2G 10 -34.648 65.830 -61.154 52 1H6 A2G 10 1H6 A2G 10 -34.159 68.812 -61.521 53 2H6 A2G 10 2H6 A2G 10 -33.071 68.459 -60.189 54 HN2 A2G 10 HN2 A2G 10 -30.743 64.143 -64.125 55 1H8 A2G 10 1H8 A2G 10 -30.892 60.939 -64.676 56 2H8 A2G 10 2H8 A2G 10 -29.860 62.373 -64.828 57 3H8 A2G 10 3H8 A2G 10 -29.505 61.152 -63.592 58 H2 A2G 13 H2 A2G 13 -28.960 64.866 -55.978 59 H4 A2G 13 H4 A2G 13 -25.557 66.911 -56.521 60 H5 A2G 13 H5 A2G 13 -25.247 64.802 -57.489 61 H1 A2G 13 H1 A2G 13 -28.183 62.943 -57.343 62 H3 A2G 13 H3 A2G 13 -27.348 66.647 -57.820 63 HO4 A2G 13 HO4 A2G 13 -26.908 65.784 -54.208 64 1H6 A2G 13 1H6 A2G 13 -24.070 65.230 -54.945 65 2H6 A2G 13 2H6 A2G 13 -24.619 63.569 -54.927 66 HN2 A2G 13 HN2 A2G 13 -29.287 65.640 -58.787 67 1H8 A2G 13 1H8 A2G 13 -32.818 65.160 -58.207 68 2H8 A2G 13 2H8 A2G 13 -31.739 66.394 -58.877 69 3H8 A2G 13 3H8 A2G 13 -31.644 64.722 -59.458 Start of MODEL 15 1 1H ACE 0 1H ACE 0 34.281 3.564 16.139 2 2H ACE 0 2H ACE 0 33.790 2.322 14.984 3 3H ACE 0 3H ACE 0 35.454 2.371 15.573 4 H SER 1 H SER 1 35.238 0.230 16.168 5 HA SER 1 HA SER 1 33.360 -0.559 18.220 6 1HB SER 1 1HB SER 1 34.544 -2.735 18.104 7 2HB SER 1 2HB SER 1 34.063 -2.169 16.503 8 H THR 2 H THR 2 33.928 -1.265 20.342 9 HA THR 2 HA THR 2 36.219 0.195 21.437 10 HB THR 2 HB THR 2 35.099 -0.472 23.649 11 1HG2 THR 2 1HG2 THR 2 34.435 1.593 21.811 12 2HG2 THR 2 2HG2 THR 2 32.965 1.051 22.622 13 3HG2 THR 2 3HG2 THR 2 34.347 1.600 23.572 14 H THR 3 H THR 3 36.729 -1.212 23.748 15 HA THR 3 HA THR 3 38.039 -3.613 22.694 16 HB THR 3 HB THR 3 39.352 -3.359 24.883 17 1HG2 THR 3 1HG2 THR 3 39.513 -0.996 23.030 18 2HG2 THR 3 2HG2 THR 3 40.793 -1.642 24.061 19 3HG2 THR 3 3HG2 THR 3 40.216 -2.577 22.682 20 H ALA 4 H ALA 4 37.847 -5.602 23.736 21 HA ALA 4 HA ALA 4 35.429 -5.914 25.271 22 1HB ALA 4 1HB ALA 4 35.580 -8.209 24.789 23 2HB ALA 4 2HB ALA 4 36.224 -7.425 23.347 24 3HB ALA 4 3HB ALA 4 37.322 -8.132 24.532 25 H VAL 5 H VAL 5 36.742 -8.386 26.517 26 HA VAL 5 HA VAL 5 38.474 -7.190 28.525 27 HB VAL 5 HB VAL 5 37.034 -8.327 30.348 28 1HG1 VAL 5 1HG1 VAL 5 35.862 -5.864 29.076 29 2HG1 VAL 5 2HG1 VAL 5 35.864 -6.311 30.782 30 3HG1 VAL 5 3HG1 VAL 5 37.373 -5.865 29.984 31 1HG2 VAL 5 1HG2 VAL 5 34.916 -7.945 28.221 32 2HG2 VAL 5 2HG2 VAL 5 35.519 -9.501 28.793 33 3HG2 VAL 5 3HG2 VAL 5 34.641 -8.436 29.891 34 H2 A2G 7 H2 A2G 7 38.383 -4.379 16.717 35 H4 A2G 7 H4 A2G 7 38.275 -1.986 13.420 36 H5 A2G 7 H5 A2G 7 36.225 -1.663 14.708 37 H1 A2G 7 H1 A2G 7 36.055 -4.058 17.235 38 H3 A2G 7 H3 A2G 7 38.822 -1.598 15.626 39 HO4 A2G 7 HO4 A2G 7 37.889 -4.836 13.805 40 1H6 A2G 7 1H6 A2G 7 34.832 -3.572 13.143 41 2H6 A2G 7 2H6 A2G 7 35.113 -1.889 12.735 42 HN2 A2G 7 HN2 A2G 7 38.039 -1.775 18.051 43 1H8 A2G 7 1H8 A2G 7 38.814 -1.826 20.165 44 2H8 A2G 7 2H8 A2G 7 40.045 -3.006 20.652 45 3H8 A2G 7 3H8 A2G 7 40.483 -1.657 19.588 46 H2 A2G 10 H2 A2G 10 32.550 -3.778 24.559 47 H4 A2G 10 H4 A2G 10 29.530 -1.667 22.810 48 H5 A2G 10 H5 A2G 10 31.463 -0.275 22.856 49 H1 A2G 10 H1 A2G 10 34.071 -1.882 24.505 50 H3 A2G 10 H3 A2G 10 31.213 -2.984 21.956 51 HO4 A2G 10 HO4 A2G 10 30.084 -2.572 25.523 52 1H6 A2G 10 1H6 A2G 10 29.302 0.185 24.723 53 2H6 A2G 10 2H6 A2G 10 30.796 0.763 25.448 54 HN2 A2G 10 HN2 A2G 10 33.652 -3.447 21.840 55 1H8 A2G 10 1H8 A2G 10 34.741 -6.808 22.022 56 2H8 A2G 10 2H8 A2G 10 34.296 -5.482 20.933 57 3H8 A2G 10 3H8 A2G 10 35.720 -5.330 21.979 58 H2 A2G 13 H2 A2G 13 38.180 -1.341 28.561 59 H4 A2G 13 H4 A2G 13 39.564 1.964 26.534 60 H5 A2G 13 H5 A2G 13 39.882 0.060 25.170 61 H1 A2G 13 H1 A2G 13 38.937 -2.825 26.810 62 H3 A2G 13 H3 A2G 13 37.524 0.961 26.742 63 HO4 A2G 13 HO4 A2G 13 40.549 0.531 28.867 64 1H6 A2G 13 1H6 A2G 13 42.097 1.349 26.275 65 2H6 A2G 13 2H6 A2G 13 42.498 -0.349 26.462 66 HN2 A2G 13 HN2 A2G 13 36.354 -1.234 26.249 67 1H8 A2G 13 1H8 A2G 13 34.286 -2.906 27.326 68 2H8 A2G 13 2H8 A2G 13 33.648 -1.691 28.449 69 3H8 A2G 13 3H8 A2G 13 34.156 -1.211 26.820 Start of MODEL 16 1 1H ACE 0 1H ACE 0 16.788 7.694 -15.399 2 2H ACE 0 2H ACE 0 18.088 7.506 -16.580 3 3H ACE 0 3H ACE 0 16.835 6.269 -16.441 4 H SER 1 H SER 1 14.576 7.422 -16.440 5 HA SER 1 HA SER 1 14.273 8.500 -19.096 6 1HB SER 1 1HB SER 1 11.814 8.413 -18.521 7 2HB SER 1 2HB SER 1 12.655 6.865 -18.401 8 H THR 2 H THR 2 13.029 10.424 -19.588 9 HA THR 2 HA THR 2 13.667 12.581 -17.716 10 HB THR 2 HB THR 2 13.004 14.025 -19.722 11 1HG2 THR 2 1HG2 THR 2 15.384 13.089 -19.093 12 2HG2 THR 2 2HG2 THR 2 15.178 12.244 -20.628 13 3HG2 THR 2 3HG2 THR 2 15.091 14.004 -20.570 14 H THR 3 H THR 3 11.733 14.488 -18.541 15 HA THR 3 HA THR 3 9.379 13.376 -17.181 16 HB THR 3 HB THR 3 8.780 15.844 -16.991 17 1HG2 THR 3 1HG2 THR 3 10.125 16.254 -15.142 18 2HG2 THR 3 2HG2 THR 3 10.058 14.493 -15.222 19 3HG2 THR 3 3HG2 THR 3 11.483 15.351 -15.813 20 H ALA 4 H ALA 4 7.265 14.537 -17.886 21 HA ALA 4 HA ALA 4 7.127 15.106 -20.704 22 1HB ALA 4 1HB ALA 4 6.023 13.239 -21.396 23 2HB ALA 4 2HB ALA 4 6.849 12.506 -20.022 24 3HB ALA 4 3HB ALA 4 5.179 13.041 -19.861 25 H VAL 5 H VAL 5 4.196 14.512 -20.633 26 HA VAL 5 HA VAL 5 3.375 16.981 -19.330 27 HB VAL 5 HB VAL 5 1.790 15.154 -21.153 28 1HG1 VAL 5 1HG1 VAL 5 1.219 17.910 -20.079 29 2HG1 VAL 5 2HG1 VAL 5 0.331 17.166 -21.409 30 3HG1 VAL 5 3HG1 VAL 5 0.294 16.436 -19.804 31 1HG2 VAL 5 1HG2 VAL 5 2.180 16.990 -22.830 32 2HG2 VAL 5 2HG2 VAL 5 3.365 17.669 -21.714 33 3HG2 VAL 5 3HG2 VAL 5 3.617 16.064 -22.402 34 H2 A2G 7 H2 A2G 7 9.313 7.629 -14.992 35 H4 A2G 7 H4 A2G 7 12.140 4.971 -13.616 36 H5 A2G 7 H5 A2G 7 12.794 5.764 -15.798 37 H1 A2G 7 H1 A2G 7 10.221 7.631 -17.215 38 H3 A2G 7 H3 A2G 7 11.900 7.248 -13.516 39 HO4 A2G 7 HO4 A2G 7 9.454 4.589 -14.655 40 1H6 A2G 7 1H6 A2G 7 12.742 3.744 -17.045 41 2H6 A2G 7 2H6 A2G 7 12.566 3.208 -15.390 42 HN2 A2G 7 HN2 A2G 7 11.784 9.232 -14.720 43 1H8 A2G 7 1H8 A2G 7 10.228 12.032 -15.426 44 2H8 A2G 7 2H8 A2G 7 10.073 11.811 -13.676 45 3H8 A2G 7 3H8 A2G 7 11.560 11.313 -14.503 46 H2 A2G 10 H2 A2G 10 10.067 13.009 -22.693 47 H4 A2G 10 H4 A2G 10 13.188 11.255 -24.564 48 H5 A2G 10 H5 A2G 10 14.095 12.489 -22.768 49 H1 A2G 10 H1 A2G 10 11.509 13.984 -20.955 50 H3 A2G 10 H3 A2G 10 11.853 10.556 -22.837 51 HO4 A2G 10 HO4 A2G 10 11.445 13.487 -25.223 52 1H6 A2G 10 1H6 A2G 10 15.201 14.275 -23.850 53 2H6 A2G 10 2H6 A2G 10 14.683 13.292 -25.204 54 HN2 A2G 10 HN2 A2G 10 10.789 11.087 -20.576 55 1H8 A2G 10 1H8 A2G 10 8.216 11.372 -19.089 56 2H8 A2G 10 2H8 A2G 10 7.414 10.295 -20.253 57 3H8 A2G 10 3H8 A2G 10 9.079 9.961 -19.740 58 H2 A2G 13 H2 A2G 13 9.857 19.007 -19.778 59 H4 A2G 13 H4 A2G 13 13.141 19.275 -17.349 60 H5 A2G 13 H5 A2G 13 11.690 17.636 -16.461 61 H1 A2G 13 H1 A2G 13 8.806 17.375 -18.318 62 H3 A2G 13 H3 A2G 13 12.646 18.045 -19.190 63 HO4 A2G 13 HO4 A2G 13 10.925 21.070 -17.924 64 1H6 A2G 13 1H6 A2G 13 11.682 20.274 -15.175 65 2H6 A2G 13 2H6 A2G 13 10.227 19.383 -14.812 66 HN2 A2G 13 HN2 A2G 13 11.375 16.539 -20.289 67 1H8 A2G 13 1H8 A2G 13 10.842 15.450 -22.047 68 2H8 A2G 13 2H8 A2G 13 9.219 15.629 -22.720 69 3H8 A2G 13 3H8 A2G 13 10.562 16.584 -23.373 Start of MODEL 17 1 1H ACE 0 1H ACE 0 8.490 3.120 -16.346 2 2H ACE 0 2H ACE 0 7.136 2.800 -15.259 3 3H ACE 0 3H ACE 0 8.780 2.384 -14.767 4 H SER 1 H SER 1 10.209 4.493 -15.431 5 HA SER 1 HA SER 1 9.461 6.444 -13.435 6 1HB SER 1 1HB SER 1 11.673 7.371 -13.787 7 2HB SER 1 2HB SER 1 11.815 5.611 -13.747 8 H THR 2 H THR 2 9.526 8.776 -13.858 9 HA THR 2 HA THR 2 8.211 9.410 -16.396 10 HB THR 2 HB THR 2 7.848 11.667 -15.133 11 1HG2 THR 2 1HG2 THR 2 6.212 9.616 -15.460 12 2HG2 THR 2 2HG2 THR 2 6.407 9.517 -13.709 13 3HG2 THR 2 3HG2 THR 2 5.802 11.001 -14.447 14 H THR 3 H THR 3 8.762 12.137 -16.556 15 HA THR 3 HA THR 3 11.557 12.099 -17.410 16 HB THR 3 HB THR 3 10.748 14.222 -18.644 17 1HG2 THR 3 1HG2 THR 3 11.037 12.026 -19.766 18 2HG2 THR 3 2HG2 THR 3 9.356 11.658 -19.369 19 3HG2 THR 3 3HG2 THR 3 9.734 13.005 -20.444 20 H ALA 4 H ALA 4 13.006 13.666 -16.727 21 HA ALA 4 HA ALA 4 12.311 14.974 -14.254 22 1HB ALA 4 1HB ALA 4 14.977 15.157 -15.636 23 2HB ALA 4 2HB ALA 4 14.618 15.257 -13.912 24 3HB ALA 4 3HB ALA 4 14.494 13.711 -14.752 25 H VAL 5 H VAL 5 14.448 17.058 -14.955 26 HA VAL 5 HA VAL 5 13.023 18.754 -16.841 27 HB VAL 5 HB VAL 5 13.187 20.686 -15.133 28 1HG1 VAL 5 1HG1 VAL 5 11.111 18.583 -14.559 29 2HG1 VAL 5 2HG1 VAL 5 10.956 20.333 -14.405 30 3HG1 VAL 5 3HG1 VAL 5 11.099 19.596 -16.001 31 1HG2 VAL 5 1HG2 VAL 5 12.956 20.033 -12.783 32 2HG2 VAL 5 2HG2 VAL 5 13.162 18.338 -13.226 33 3HG2 VAL 5 3HG2 VAL 5 14.492 19.475 -13.442 34 H2 A2G 7 H2 A2G 7 14.862 7.142 -17.094 35 H4 A2G 7 H4 A2G 7 13.666 3.215 -17.471 36 H5 A2G 7 H5 A2G 7 12.419 4.276 -15.710 37 H1 A2G 7 H1 A2G 7 13.723 7.412 -15.005 38 H3 A2G 7 H3 A2G 7 12.920 5.209 -18.337 39 HO4 A2G 7 HO4 A2G 7 16.116 4.497 -16.580 40 1H6 A2G 7 1H6 A2G 7 13.561 2.063 -15.171 41 2H6 A2G 7 2H6 A2G 7 14.835 2.965 -14.374 42 HN2 A2G 7 HN2 A2G 7 11.984 7.463 -17.634 43 1H8 A2G 7 1H8 A2G 7 12.461 10.469 -18.744 44 2H8 A2G 7 2H8 A2G 7 12.522 9.457 -20.198 45 3H8 A2G 7 3H8 A2G 7 11.407 9.050 -18.880 46 H2 A2G 10 H2 A2G 10 9.846 13.263 -11.699 47 H4 A2G 10 H4 A2G 10 7.726 10.513 -9.535 48 H5 A2G 10 H5 A2G 10 6.979 10.440 -11.785 49 H1 A2G 10 H1 A2G 10 8.573 12.810 -13.724 50 H3 A2G 10 H3 A2G 10 9.665 10.372 -10.775 51 HO4 A2G 10 HO4 A2G 10 7.940 13.405 -9.513 52 1H6 A2G 10 1H6 A2G 10 5.263 12.482 -10.290 53 2H6 A2G 10 2H6 A2G 10 4.778 11.649 -11.746 54 HN2 A2G 10 HN2 A2G 10 10.781 10.758 -12.953 55 1H8 A2G 10 1H8 A2G 10 14.008 12.136 -13.018 56 2H8 A2G 10 2H8 A2G 10 13.024 10.668 -13.159 57 3H8 A2G 10 3H8 A2G 10 12.984 11.889 -14.445 58 H2 A2G 13 H2 A2G 13 7.289 16.740 -17.995 59 H4 A2G 13 H4 A2G 13 5.139 13.587 -19.510 60 H5 A2G 13 H5 A2G 13 7.445 13.065 -19.684 61 H1 A2G 13 H1 A2G 13 9.391 15.715 -18.607 62 H3 A2G 13 H3 A2G 13 5.896 14.123 -17.430 63 HO4 A2G 13 HO4 A2G 13 5.623 16.299 -20.443 64 1H6 A2G 13 1H6 A2G 13 5.974 13.750 -22.045 65 2H6 A2G 13 2H6 A2G 13 7.604 14.339 -22.288 66 HN2 A2G 13 HN2 A2G 13 7.995 14.590 -16.100 67 1H8 A2G 13 1H8 A2G 13 7.349 16.742 -13.452 68 2H8 A2G 13 2H8 A2G 13 7.801 15.108 -13.973 69 3H8 A2G 13 3H8 A2G 13 9.010 16.406 -13.972 Start of MODEL 18 1 1H ACE 0 1H ACE 0 -12.820 -25.743 -50.263 2 2H ACE 0 2H ACE 0 -13.129 -25.859 -51.999 3 3H ACE 0 3H ACE 0 -14.319 -25.098 -50.939 4 H SER 1 H SER 1 -13.545 -23.788 -53.088 5 HA SER 1 HA SER 1 -11.356 -21.977 -52.550 6 1HB SER 1 1HB SER 1 -12.207 -20.850 -54.660 7 2HB SER 1 2HB SER 1 -11.734 -22.540 -54.851 8 H THR 2 H THR 2 -11.863 -19.535 -52.922 9 HA THR 2 HA THR 2 -13.912 -18.820 -50.961 10 HB THR 2 HB THR 2 -12.741 -16.532 -51.159 11 1HG2 THR 2 1HG2 THR 2 -10.713 -18.473 -50.242 12 2HG2 THR 2 2HG2 THR 2 -11.347 -17.029 -49.453 13 3HG2 THR 2 3HG2 THR 2 -12.287 -18.522 -49.446 14 H THR 3 H THR 3 -14.454 -16.229 -51.586 15 HA THR 3 HA THR 3 -16.087 -16.493 -53.999 16 HB THR 3 HB THR 3 -17.237 -14.447 -52.944 17 1HG2 THR 3 1HG2 THR 3 -17.199 -17.003 -51.354 18 2HG2 THR 3 2HG2 THR 3 -18.426 -15.740 -51.250 19 3HG2 THR 3 3HG2 THR 3 -18.234 -16.660 -52.743 20 H ALA 4 H ALA 4 -16.048 -14.926 -55.620 21 HA ALA 4 HA ALA 4 -13.600 -13.414 -55.762 22 1HB ALA 4 1HB ALA 4 -15.772 -13.478 -57.849 23 2HB ALA 4 2HB ALA 4 -14.048 -13.173 -58.069 24 3HB ALA 4 3HB ALA 4 -14.614 -14.793 -57.663 25 H VAL 5 H VAL 5 -15.076 -11.469 -57.597 26 HA VAL 5 HA VAL 5 -16.574 -9.857 -55.689 27 HB VAL 5 HB VAL 5 -14.109 -8.771 -57.082 28 1HG1 VAL 5 1HG1 VAL 5 -16.160 -7.469 -55.304 29 2HG1 VAL 5 2HG1 VAL 5 -14.575 -6.765 -55.629 30 3HG1 VAL 5 3HG1 VAL 5 -15.711 -7.032 -56.951 31 1HG2 VAL 5 1HG2 VAL 5 -13.407 -10.140 -55.242 32 2HG2 VAL 5 2HG2 VAL 5 -13.273 -8.455 -54.735 33 3HG2 VAL 5 3HG2 VAL 5 -14.629 -9.439 -54.182 34 H2 A2G 7 H2 A2G 7 -15.932 -20.389 -56.587 35 H4 A2G 7 H4 A2G 7 -16.141 -24.388 -57.463 36 H5 A2G 7 H5 A2G 7 -14.085 -23.926 -56.247 37 H1 A2G 7 H1 A2G 7 -13.611 -20.484 -56.004 38 H3 A2G 7 H3 A2G 7 -16.648 -23.139 -55.590 39 HO4 A2G 7 HO4 A2G 7 -15.606 -22.004 -59.051 40 1H6 A2G 7 1H6 A2G 7 -12.944 -25.116 -57.796 41 2H6 A2G 7 2H6 A2G 7 -14.121 -24.690 -59.020 42 HN2 A2G 7 HN2 A2G 7 -15.699 -21.511 -53.877 43 1H8 A2G 7 1H8 A2G 7 -17.971 -20.486 -52.630 44 2H8 A2G 7 2H8 A2G 7 -16.328 -19.888 -52.332 45 3H8 A2G 7 3H8 A2G 7 -17.617 -18.755 -52.769 46 H2 A2G 10 H2 A2G 10 -10.600 -15.064 -54.587 47 H4 A2G 10 H4 A2G 10 -7.435 -17.119 -52.961 48 H5 A2G 10 H5 A2G 10 -9.259 -17.253 -51.455 49 H1 A2G 10 H1 A2G 10 -11.964 -15.460 -52.611 50 H3 A2G 10 H3 A2G 10 -9.145 -17.720 -54.365 51 HO4 A2G 10 HO4 A2G 10 -7.954 -14.302 -53.459 52 1H6 A2G 10 1H6 A2G 10 -7.034 -15.985 -50.683 53 2H6 A2G 10 2H6 A2G 10 -8.140 -14.636 -50.460 54 HN2 A2G 10 HN2 A2G 10 -11.501 -17.886 -54.662 55 1H8 A2G 10 1H8 A2G 10 -12.873 -18.410 -56.174 56 2H8 A2G 10 2H8 A2G 10 -14.181 -17.215 -56.250 57 3H8 A2G 10 3H8 A2G 10 -13.023 -17.348 -57.586 58 H2 A2G 13 H2 A2G 13 -15.565 -11.550 -50.169 59 H4 A2G 13 H4 A2G 13 -16.449 -14.410 -47.357 60 H5 A2G 13 H5 A2G 13 -17.264 -15.152 -49.456 61 H1 A2G 13 H1 A2G 13 -16.706 -12.789 -51.916 62 H3 A2G 13 H3 A2G 13 -14.642 -14.029 -48.704 63 HO4 A2G 13 HO4 A2G 13 -17.433 -11.719 -47.837 64 1H6 A2G 13 1H6 A2G 13 -19.028 -14.604 -47.480 65 2H6 A2G 13 2H6 A2G 13 -19.704 -13.562 -48.723 66 HN2 A2G 13 HN2 A2G 13 -13.920 -13.799 -51.135 67 1H8 A2G 13 1H8 A2G 13 -11.193 -11.692 -51.383 68 2H8 A2G 13 2H8 A2G 13 -11.847 -13.325 -51.605 69 3H8 A2G 13 3H8 A2G 13 -12.122 -12.085 -52.842 Start of MODEL 19 1 1H ACE 0 1H ACE 0 22.155 -13.697 11.230 2 2H ACE 0 2H ACE 0 20.586 -14.149 10.556 3 3H ACE 0 3H ACE 0 21.168 -14.921 12.034 4 H SER 1 H SER 1 20.944 -11.623 10.836 5 HA SER 1 HA SER 1 20.109 -10.597 13.405 6 1HB SER 1 1HB SER 1 20.013 -8.408 12.121 7 2HB SER 1 2HB SER 1 21.587 -9.207 12.127 8 H THR 2 H THR 2 18.195 -9.096 13.530 9 HA THR 2 HA THR 2 15.895 -10.412 12.291 10 HB THR 2 HB THR 2 14.608 -8.955 13.952 11 1HG2 THR 2 1HG2 THR 2 15.775 -11.431 14.297 12 2HG2 THR 2 2HG2 THR 2 16.250 -10.527 15.735 13 3HG2 THR 2 3HG2 THR 2 14.542 -10.691 15.319 14 H THR 3 H THR 3 13.976 -8.592 12.325 15 HA THR 3 HA THR 3 14.767 -6.689 10.250 16 HB THR 3 HB THR 3 12.183 -6.711 9.955 17 1HG2 THR 3 1HG2 THR 3 12.217 -8.701 8.632 18 2HG2 THR 3 2HG2 THR 3 13.791 -7.920 8.473 19 3HG2 THR 3 3HG2 THR 3 13.605 -9.324 9.527 20 H ALA 4 H ALA 4 13.080 -4.757 10.251 21 HA ALA 4 HA ALA 4 12.376 -3.807 12.871 22 1HB ALA 4 1HB ALA 4 13.895 -2.099 13.097 23 2HB ALA 4 2HB ALA 4 14.899 -3.268 12.240 24 3HB ALA 4 3HB ALA 4 14.145 -1.942 11.359 25 H VAL 5 H VAL 5 12.447 -0.998 11.747 26 HA VAL 5 HA VAL 5 10.511 -1.115 9.581 27 HB VAL 5 HB VAL 5 9.064 0.587 10.929 28 1HG1 VAL 5 1HG1 VAL 5 7.598 -1.149 11.615 29 2HG1 VAL 5 2HG1 VAL 5 8.424 -1.712 10.162 30 3HG1 VAL 5 3HG1 VAL 5 8.920 -2.306 11.747 31 1HG2 VAL 5 1HG2 VAL 5 10.690 0.679 12.839 32 2HG2 VAL 5 2HG2 VAL 5 9.032 0.304 13.312 33 3HG2 VAL 5 3HG2 VAL 5 10.240 -0.980 13.231 34 H2 A2G 7 H2 A2G 7 19.036 -7.270 8.243 35 H4 A2G 7 H4 A2G 7 22.369 -9.065 6.652 36 H5 A2G 7 H5 A2G 7 22.368 -9.334 9.062 37 H1 A2G 7 H1 A2G 7 19.875 -7.376 10.483 38 H3 A2G 7 H3 A2G 7 20.292 -9.838 7.278 39 HO4 A2G 7 HO4 A2G 7 21.580 -6.291 7.048 40 1H6 A2G 7 1H6 A2G 7 24.312 -7.874 7.685 41 2H6 A2G 7 2H6 A2G 7 23.973 -6.853 9.083 42 HN2 A2G 7 HN2 A2G 7 18.671 -10.027 9.220 43 1H8 A2G 7 1H8 A2G 7 16.540 -10.885 8.425 44 2H8 A2G 7 2H8 A2G 7 16.066 -9.990 9.880 45 3H8 A2G 7 3H8 A2G 7 15.228 -9.696 8.347 46 H2 A2G 10 H2 A2G 10 15.621 -5.274 15.860 47 H4 A2G 10 H4 A2G 10 18.214 -7.447 18.155 48 H5 A2G 10 H5 A2G 10 16.908 -8.954 16.871 49 H1 A2G 10 H1 A2G 10 14.585 -7.281 14.942 50 H3 A2G 10 H3 A2G 10 18.357 -6.594 16.024 51 HO4 A2G 10 HO4 A2G 10 15.935 -5.744 18.723 52 1H6 A2G 10 1H6 A2G 10 15.175 -8.530 19.341 53 2H6 A2G 10 2H6 A2G 10 15.472 -10.017 18.465 54 HN2 A2G 10 HN2 A2G 10 17.314 -6.463 13.750 55 1H8 A2G 10 1H8 A2G 10 16.290 -4.638 11.548 56 2H8 A2G 10 2H8 A2G 10 17.422 -3.416 12.156 57 3H8 A2G 10 3H8 A2G 10 17.886 -5.126 12.149 58 H2 A2G 13 H2 A2G 13 8.928 -8.529 12.281 59 H4 A2G 13 H4 A2G 13 10.927 -12.061 11.678 60 H5 A2G 13 H5 A2G 13 12.030 -10.360 10.423 61 H1 A2G 13 H1 A2G 13 10.329 -7.343 10.715 62 H3 A2G 13 H3 A2G 13 11.109 -10.392 13.233 63 HO4 A2G 13 HO4 A2G 13 8.384 -11.069 10.681 64 1H6 A2G 13 1H6 A2G 13 11.410 -10.835 8.102 65 2H6 A2G 13 2H6 A2G 13 11.286 -12.314 9.044 66 HN2 A2G 13 HN2 A2G 13 11.544 -7.910 13.501 67 1H8 A2G 13 1H8 A2G 13 10.486 -7.107 16.247 68 2H8 A2G 13 2H8 A2G 13 11.500 -6.360 14.998 69 3H8 A2G 13 3H8 A2G 13 9.980 -5.587 15.486 Start of MODEL 20 1 1H ACE 0 1H ACE 0 28.259 29.913 -6.092 2 2H ACE 0 2H ACE 0 26.829 30.863 -6.506 3 3H ACE 0 3H ACE 0 27.193 30.507 -4.815 4 H SER 1 H SER 1 29.794 30.969 -4.635 5 HA SER 1 HA SER 1 29.929 33.850 -4.656 6 1HB SER 1 1HB SER 1 31.968 33.583 -3.371 7 2HB SER 1 2HB SER 1 30.752 32.472 -2.738 8 H THR 2 H THR 2 32.132 34.839 -5.234 9 HA THR 2 HA THR 2 32.726 34.097 -8.003 10 HB THR 2 HB THR 2 33.963 36.357 -7.915 11 1HG2 THR 2 1HG2 THR 2 31.363 35.807 -8.514 12 2HG2 THR 2 2HG2 THR 2 31.205 37.066 -7.287 13 3HG2 THR 2 3HG2 THR 2 32.158 37.365 -8.741 14 H THR 3 H THR 3 35.233 35.169 -8.323 15 HA THR 3 HA THR 3 36.907 33.263 -6.849 16 HB THR 3 HB THR 3 38.544 33.839 -8.719 17 1HG2 THR 3 1HG2 THR 3 35.988 32.889 -9.935 18 2HG2 THR 3 2HG2 THR 3 37.642 32.361 -10.250 19 3HG2 THR 3 3HG2 THR 3 36.836 31.889 -8.754 20 H ALA 4 H ALA 4 39.297 34.180 -6.766 21 HA ALA 4 HA ALA 4 39.450 36.995 -6.159 22 1HB ALA 4 1HB ALA 4 39.307 36.884 -3.935 23 2HB ALA 4 2HB ALA 4 38.883 35.179 -4.076 24 3HB ALA 4 3HB ALA 4 40.568 35.655 -3.878 25 H VAL 5 H VAL 5 41.262 37.597 -7.139 26 HA VAL 5 HA VAL 5 43.456 35.705 -7.472 27 HB VAL 5 HB VAL 5 43.214 38.520 -8.565 28 1HG1 VAL 5 1HG1 VAL 5 44.881 37.669 -10.228 29 2HG1 VAL 5 2HG1 VAL 5 45.491 37.811 -8.579 30 3HG1 VAL 5 3HG1 VAL 5 45.056 36.229 -9.227 31 1HG2 VAL 5 1HG2 VAL 5 41.385 37.262 -9.456 32 2HG2 VAL 5 2HG2 VAL 5 42.622 37.341 -10.711 33 3HG2 VAL 5 3HG2 VAL 5 42.417 35.866 -9.766 34 H2 A2G 7 H2 A2G 7 34.983 30.178 -2.634 35 H4 A2G 7 H4 A2G 7 31.531 28.096 -1.728 36 H5 A2G 7 H5 A2G 7 30.986 30.323 -2.503 37 H1 A2G 7 H1 A2G 7 33.840 32.274 -2.707 38 H3 A2G 7 H3 A2G 7 32.743 28.447 -3.655 39 HO4 A2G 7 HO4 A2G 7 33.700 29.190 -0.129 40 1H6 A2G 7 1H6 A2G 7 31.113 30.562 0.536 41 2H6 A2G 7 2H6 A2G 7 29.947 31.274 -0.553 42 HN2 A2G 7 HN2 A2G 7 33.515 30.355 -5.183 43 1H8 A2G 7 1H8 A2G 7 34.656 30.285 -6.947 44 2H8 A2G 7 2H8 A2G 7 36.365 30.736 -6.809 45 3H8 A2G 7 3H8 A2G 7 35.906 29.026 -6.907 46 H2 A2G 10 H2 A2G 10 35.574 38.571 -4.615 47 H4 A2G 10 H4 A2G 10 31.737 39.538 -3.660 48 H5 A2G 10 H5 A2G 10 31.721 38.317 -5.714 49 H1 A2G 10 H1 A2G 10 34.938 37.602 -6.759 50 H3 A2G 10 H3 A2G 10 33.007 37.657 -3.279 51 HO4 A2G 10 HO4 A2G 10 34.040 41.053 -4.570 52 1H6 A2G 10 1H6 A2G 10 30.892 40.893 -5.643 53 2H6 A2G 10 2H6 A2G 10 32.092 41.035 -6.922 54 HN2 A2G 10 HN2 A2G 10 34.461 35.862 -4.246 55 1H8 A2G 10 1H8 A2G 10 37.310 35.015 -2.430 56 2H8 A2G 10 2H8 A2G 10 35.690 34.538 -2.970 57 3H8 A2G 10 3H8 A2G 10 37.057 34.475 -4.102 58 H2 A2G 13 H2 A2G 13 38.842 37.669 -10.721 59 H4 A2G 13 H4 A2G 13 36.036 36.040 -13.244 60 H5 A2G 13 H5 A2G 13 36.678 34.401 -11.664 61 H1 A2G 13 H1 A2G 13 39.141 35.553 -9.563 62 H3 A2G 13 H3 A2G 13 35.908 37.215 -11.280 63 HO4 A2G 13 HO4 A2G 13 38.760 36.987 -13.608 64 1H6 A2G 13 1H6 A2G 13 36.917 33.140 -13.557 65 2H6 A2G 13 2H6 A2G 13 38.049 34.238 -14.317 66 HN2 A2G 13 HN2 A2G 13 36.638 37.161 -8.830 67 1H8 A2G 13 1H8 A2G 13 35.992 39.271 -7.756 68 2H8 A2G 13 2H8 A2G 13 37.350 38.695 -6.772 69 3H8 A2G 13 3H8 A2G 13 37.346 40.355 -7.392 Start of MODEL 21 1 1H ACE 0 1H ACE 0 -16.839 3.426 -31.736 2 2H ACE 0 2H ACE 0 -15.448 4.426 -32.166 3 3H ACE 0 3H ACE 0 -17.046 5.160 -32.003 4 H SER 1 H SER 1 -15.474 6.487 -30.666 5 HA SER 1 HA SER 1 -16.034 5.930 -27.883 6 1HB SER 1 1HB SER 1 -13.685 6.080 -27.165 7 2HB SER 1 2HB SER 1 -13.907 4.715 -28.265 8 H THR 2 H THR 2 -14.624 7.763 -26.581 9 HA THR 2 HA THR 2 -15.468 10.281 -27.809 10 HB THR 2 HB THR 2 -14.888 11.170 -25.457 11 1HG2 THR 2 1HG2 THR 2 -17.029 9.283 -24.922 12 2HG2 THR 2 2HG2 THR 2 -17.050 11.048 -24.951 13 3HG2 THR 2 3HG2 THR 2 -17.236 10.140 -26.451 14 H THR 3 H THR 3 -13.870 12.124 -26.656 15 HA THR 3 HA THR 3 -11.263 11.563 -27.873 16 HB THR 3 HB THR 3 -11.174 14.136 -27.833 17 1HG2 THR 3 1HG2 THR 3 -11.716 12.816 -29.862 18 2HG2 THR 3 2HG2 THR 3 -13.418 12.888 -29.400 19 3HG2 THR 3 3HG2 THR 3 -12.545 14.372 -29.795 20 H ALA 4 H ALA 4 -9.481 13.008 -26.880 21 HA ALA 4 HA ALA 4 -9.699 13.440 -24.039 22 1HB ALA 4 1HB ALA 4 -7.339 11.862 -24.324 23 2HB ALA 4 2HB ALA 4 -8.760 11.548 -23.328 24 3HB ALA 4 3HB ALA 4 -8.697 10.958 -24.990 25 H VAL 5 H VAL 5 -8.784 15.375 -23.800 26 HA VAL 5 HA VAL 5 -6.649 16.214 -25.603 27 HB VAL 5 HB VAL 5 -6.924 18.454 -24.534 28 1HG1 VAL 5 1HG1 VAL 5 -9.487 17.280 -25.602 29 2HG1 VAL 5 2HG1 VAL 5 -9.023 18.982 -25.608 30 3HG1 VAL 5 3HG1 VAL 5 -8.127 17.818 -26.585 31 1HG2 VAL 5 1HG2 VAL 5 -8.794 18.884 -23.058 32 2HG2 VAL 5 2HG2 VAL 5 -9.293 17.195 -23.138 33 3HG2 VAL 5 3HG2 VAL 5 -7.778 17.632 -22.349 34 H2 A2G 7 H2 A2G 7 -9.698 6.552 -29.548 35 H4 A2G 7 H4 A2G 7 -11.543 3.892 -32.057 36 H5 A2G 7 H5 A2G 7 -13.037 4.381 -30.219 37 H1 A2G 7 H1 A2G 7 -11.332 6.268 -27.817 38 H3 A2G 7 H3 A2G 7 -11.611 6.176 -31.846 39 HO4 A2G 7 HO4 A2G 7 -9.420 3.600 -30.091 40 1H6 A2G 7 1H6 A2G 7 -13.119 2.225 -29.122 41 2H6 A2G 7 2H6 A2G 7 -12.472 1.934 -30.730 42 HN2 A2G 7 HN2 A2G 7 -12.125 8.084 -30.228 43 1H8 A2G 7 1H8 A2G 7 -11.792 10.311 -29.937 44 2H8 A2G 7 2H8 A2G 7 -10.162 10.998 -30.021 45 3H8 A2G 7 3H8 A2G 7 -10.945 10.395 -31.492 46 H2 A2G 10 H2 A2G 10 -12.169 9.499 -22.612 47 H4 A2G 10 H4 A2G 10 -15.168 6.857 -21.741 48 H5 A2G 10 H5 A2G 10 -16.065 8.507 -23.178 49 H1 A2G 10 H1 A2G 10 -13.648 10.860 -23.991 50 H3 A2G 10 H3 A2G 10 -13.573 6.912 -23.389 51 HO4 A2G 10 HO4 A2G 10 -13.713 8.837 -20.195 52 1H6 A2G 10 1H6 A2G 10 -16.922 8.401 -20.599 53 2H6 A2G 10 2H6 A2G 10 -16.439 10.092 -20.661 54 HN2 A2G 10 HN2 A2G 10 -12.544 8.107 -25.195 55 1H8 A2G 10 1H8 A2G 10 -10.865 8.021 -26.475 56 2H8 A2G 10 2H8 A2G 10 -10.097 9.617 -26.584 57 3H8 A2G 10 3H8 A2G 10 -9.259 8.282 -25.771 58 H2 A2G 13 H2 A2G 13 -13.567 17.045 -25.576 59 H4 A2G 13 H4 A2G 13 -16.491 16.087 -28.287 60 H5 A2G 13 H5 A2G 13 -14.520 14.844 -28.819 61 H1 A2G 13 H1 A2G 13 -11.889 15.774 -26.773 62 H3 A2G 13 H3 A2G 13 -15.837 15.192 -26.280 63 HO4 A2G 13 HO4 A2G 13 -14.880 18.464 -27.840 64 1H6 A2G 13 1H6 A2G 13 -15.336 17.038 -30.491 65 2H6 A2G 13 2H6 A2G 13 -13.585 16.956 -30.559 66 HN2 A2G 13 HN2 A2G 13 -13.873 14.165 -25.043 67 1H8 A2G 13 1H8 A2G 13 -14.447 13.763 -22.777 68 2H8 A2G 13 2H8 A2G 13 -12.704 14.015 -22.575 69 3H8 A2G 13 3H8 A2G 13 -13.852 14.919 -21.572 Start of MODEL 22 1 1H ACE 0 1H ACE 0 1.529 50.743 -8.447 2 2H ACE 0 2H ACE 0 3.231 51.188 -8.295 3 3H ACE 0 3H ACE 0 2.380 50.469 -6.924 4 H SER 1 H SER 1 4.700 49.439 -7.713 5 HA SER 1 HA SER 1 4.337 47.221 -9.520 6 1HB SER 1 1HB SER 1 6.666 46.664 -8.963 7 2HB SER 1 2HB SER 1 6.514 48.378 -9.349 8 H THR 2 H THR 2 5.644 45.133 -8.368 9 HA THR 2 HA THR 2 3.697 44.255 -6.374 10 HB THR 2 HB THR 2 4.803 41.982 -6.885 11 1HG2 THR 2 1HG2 THR 2 2.959 41.768 -8.086 12 2HG2 THR 2 2HG2 THR 2 2.919 43.494 -8.441 13 3HG2 THR 2 3HG2 THR 2 3.855 42.406 -9.465 14 H THR 3 H THR 3 5.148 42.200 -5.179 15 HA THR 3 HA THR 3 6.917 43.695 -3.399 16 HB THR 3 HB THR 3 6.519 41.564 -1.974 17 1HG2 THR 3 1HG2 THR 3 3.985 43.026 -2.588 18 2HG2 THR 3 2HG2 THR 3 4.548 42.387 -1.042 19 3HG2 THR 3 3HG2 THR 3 5.315 43.817 -1.739 20 H ALA 4 H ALA 4 8.968 42.846 -2.819 21 HA ALA 4 HA ALA 4 10.154 41.238 -4.893 22 1HB ALA 4 1HB ALA 4 11.193 43.334 -3.871 23 2HB ALA 4 2HB ALA 4 11.560 42.337 -2.464 24 3HB ALA 4 3HB ALA 4 12.249 41.933 -4.037 25 H VAL 5 H VAL 5 12.184 40.301 -2.819 26 HA VAL 5 HA VAL 5 10.810 37.806 -2.209 27 HB VAL 5 HB VAL 5 13.110 37.011 -1.529 28 1HG1 VAL 5 1HG1 VAL 5 13.914 36.789 -3.830 29 2HG1 VAL 5 2HG1 VAL 5 12.176 36.512 -3.716 30 3HG1 VAL 5 3HG1 VAL 5 12.787 38.043 -4.344 31 1HG2 VAL 5 1HG2 VAL 5 15.046 38.303 -2.108 32 2HG2 VAL 5 2HG2 VAL 5 14.054 39.563 -2.843 33 3HG2 VAL 5 3HG2 VAL 5 14.016 39.315 -1.098 34 H2 A2G 7 H2 A2G 7 9.631 48.341 -5.759 35 H4 A2G 7 H4 A2G 7 7.979 51.896 -7.057 36 H5 A2G 7 H5 A2G 7 6.925 50.046 -8.187 37 H1 A2G 7 H1 A2G 7 8.645 47.099 -7.548 38 H3 A2G 7 H3 A2G 7 7.422 50.360 -5.426 39 HO4 A2G 7 HO4 A2G 7 10.581 50.640 -7.382 40 1H6 A2G 7 1H6 A2G 7 9.207 50.938 -10.014 41 2H6 A2G 7 2H6 A2G 7 7.606 50.423 -10.481 42 HN2 A2G 7 HN2 A2G 7 6.779 47.911 -5.148 43 1H8 A2G 7 1H8 A2G 7 7.406 47.220 -1.979 44 2H8 A2G 7 2H8 A2G 7 6.319 46.920 -3.347 45 3H8 A2G 7 3H8 A2G 7 7.529 45.706 -2.894 46 H2 A2G 10 H2 A2G 10 8.915 41.472 -8.083 47 H4 A2G 10 H4 A2G 10 7.521 42.030 -11.835 48 H5 A2G 10 H5 A2G 10 5.623 41.870 -10.406 49 H1 A2G 10 H1 A2G 10 6.657 41.404 -7.113 50 H3 A2G 10 H3 A2G 10 7.989 43.514 -10.141 51 HO4 A2G 10 HO4 A2G 10 8.671 39.745 -10.459 52 1H6 A2G 10 1H6 A2G 10 4.754 39.616 -10.798 53 2H6 A2G 10 2H6 A2G 10 5.677 40.118 -12.205 54 HN2 A2G 10 HN2 A2G 10 7.803 44.190 -7.741 55 1H8 A2G 10 1H8 A2G 10 8.709 45.401 -6.269 56 2H8 A2G 10 2H8 A2G 10 9.659 44.614 -4.998 57 3H8 A2G 10 3H8 A2G 10 10.474 45.325 -6.403 58 H2 A2G 13 H2 A2G 13 5.002 37.641 -3.119 59 H4 A2G 13 H4 A2G 13 1.431 39.647 -3.573 60 H5 A2G 13 H5 A2G 13 3.000 41.138 -2.642 61 H1 A2G 13 H1 A2G 13 6.032 39.584 -2.084 62 H3 A2G 13 H3 A2G 13 3.223 39.250 -4.954 63 HO4 A2G 13 HO4 A2G 13 2.278 37.502 -1.809 64 1H6 A2G 13 1H6 A2G 13 2.128 39.964 -0.020 65 2H6 A2G 13 2H6 A2G 13 2.041 41.617 -0.602 66 HN2 A2G 13 HN2 A2G 13 5.474 39.534 -5.335 67 1H8 A2G 13 1H8 A2G 13 6.957 38.882 -6.779 68 2H8 A2G 13 2H8 A2G 13 8.423 38.863 -5.784 69 3H8 A2G 13 3H8 A2G 13 7.864 37.373 -6.559 Start of MODEL 23 1 1H ACE 0 1H ACE 0 21.312 38.038 -20.286 2 2H ACE 0 2H ACE 0 22.948 37.451 -19.979 3 3H ACE 0 3H ACE 0 22.646 38.565 -21.316 4 H SER 1 H SER 1 21.873 40.657 -20.823 5 HA SER 1 HA SER 1 23.319 41.852 -18.631 6 1HB SER 1 1HB SER 1 22.457 43.999 -19.635 7 2HB SER 1 2HB SER 1 23.391 42.996 -20.745 8 H THR 2 H THR 2 22.022 43.875 -17.626 9 HA THR 2 HA THR 2 19.758 42.653 -16.236 10 HB THR 2 HB THR 2 20.043 44.695 -14.714 11 1HG2 THR 2 1HG2 THR 2 22.592 43.645 -14.241 12 2HG2 THR 2 2HG2 THR 2 21.077 43.220 -13.442 13 3HG2 THR 2 3HG2 THR 2 21.614 42.309 -14.853 14 H THR 3 H THR 3 18.369 44.829 -15.353 15 HA THR 3 HA THR 3 17.055 45.751 -17.803 16 HB THR 3 HB THR 3 15.204 46.304 -16.114 17 1HG2 THR 3 1HG2 THR 3 14.381 44.090 -15.977 18 2HG2 THR 3 2HG2 THR 3 15.256 44.212 -17.505 19 3HG2 THR 3 3HG2 THR 3 16.003 43.412 -16.120 20 H ALA 4 H ALA 4 15.840 47.948 -17.339 21 HA ALA 4 HA ALA 4 17.376 49.811 -15.774 22 1HB ALA 4 1HB ALA 4 17.062 50.696 -18.580 23 2HB ALA 4 2HB ALA 4 18.391 50.963 -17.451 24 3HB ALA 4 3HB ALA 4 18.251 49.427 -18.306 25 H VAL 5 H VAL 5 16.282 52.035 -17.463 26 HA VAL 5 HA VAL 5 13.622 52.094 -16.282 27 HB VAL 5 HB VAL 5 15.100 54.301 -17.741 28 1HG1 VAL 5 1HG1 VAL 5 12.778 54.784 -17.728 29 2HG1 VAL 5 2HG1 VAL 5 12.614 54.289 -16.043 30 3HG1 VAL 5 3HG1 VAL 5 13.505 55.756 -16.450 31 1HG2 VAL 5 1HG2 VAL 5 16.397 53.719 -15.815 32 2HG2 VAL 5 2HG2 VAL 5 15.504 55.189 -15.422 33 3HG2 VAL 5 3HG2 VAL 5 14.959 53.632 -14.799 34 H2 A2G 7 H2 A2G 7 19.719 45.227 -22.908 35 H4 A2G 7 H4 A2G 7 20.957 42.006 -25.116 36 H5 A2G 7 H5 A2G 7 22.121 42.015 -22.970 37 H1 A2G 7 H1 A2G 7 21.519 45.052 -21.353 38 H3 A2G 7 H3 A2G 7 19.422 42.287 -23.423 39 HO4 A2G 7 HO4 A2G 7 21.520 44.856 -25.254 40 1H6 A2G 7 1H6 A2G 7 24.458 42.947 -23.785 41 2H6 A2G 7 2H6 A2G 7 23.768 41.543 -24.574 42 HN2 A2G 7 HN2 A2G 7 19.065 43.006 -21.088 43 1H8 A2G 7 1H8 A2G 7 17.407 43.299 -19.807 44 2H8 A2G 7 2H8 A2G 7 16.664 44.903 -19.676 45 3H8 A2G 7 3H8 A2G 7 16.026 43.724 -20.835 46 H2 A2G 10 H2 A2G 10 21.447 48.575 -15.796 47 H4 A2G 10 H4 A2G 10 25.172 47.031 -15.329 48 H5 A2G 10 H5 A2G 10 23.639 45.424 -14.543 49 H1 A2G 10 H1 A2G 10 20.384 46.574 -14.869 50 H3 A2G 10 H3 A2G 10 23.662 46.930 -17.059 51 HO4 A2G 10 HO4 A2G 10 23.703 49.193 -14.056 52 1H6 A2G 10 1H6 A2G 10 25.191 46.849 -12.721 53 2H6 A2G 10 2H6 A2G 10 23.610 46.839 -11.950 54 HN2 A2G 10 HN2 A2G 10 21.282 46.396 -17.777 55 1H8 A2G 10 1H8 A2G 10 20.347 46.902 -19.647 56 2H8 A2G 10 2H8 A2G 10 18.800 47.629 -19.166 57 3H8 A2G 10 3H8 A2G 10 19.995 48.590 -20.061 58 H2 A2G 13 H2 A2G 13 15.724 47.245 -11.895 59 H4 A2G 13 H4 A2G 13 15.659 43.167 -11.470 60 H5 A2G 13 H5 A2G 13 15.197 43.673 -13.740 61 H1 A2G 13 H1 A2G 13 15.140 47.096 -14.256 62 H3 A2G 13 H3 A2G 13 17.317 44.674 -11.914 63 HO4 A2G 13 HO4 A2G 13 13.869 45.280 -10.590 64 1H6 A2G 13 1H6 A2G 13 12.351 43.974 -12.933 65 2H6 A2G 13 2H6 A2G 13 13.121 42.743 -13.919 66 HN2 A2G 13 HN2 A2G 13 18.195 46.346 -13.233 67 1H8 A2G 13 1H8 A2G 13 19.624 49.370 -12.403 68 2H8 A2G 13 2H8 A2G 13 19.835 47.764 -13.121 69 3H8 A2G 13 3H8 A2G 13 19.188 49.095 -14.098 Start of MODEL 24 1 1H ACE 0 1H ACE 0 -25.648 19.796 3.155 2 2H ACE 0 2H ACE 0 -25.729 20.609 4.720 3 3H ACE 0 3H ACE 0 -24.514 19.359 4.437 4 H SER 1 H SER 1 -23.198 19.789 2.419 5 HA SER 1 HA SER 1 -21.848 22.313 2.793 6 1HB SER 1 1HB SER 1 -20.101 21.408 1.468 7 2HB SER 1 2HB SER 1 -20.727 20.037 2.387 8 H THR 2 H THR 2 -21.192 23.659 0.927 9 HA THR 2 HA THR 2 -23.479 24.065 -0.853 10 HB THR 2 HB THR 2 -22.194 26.229 -1.397 11 1HG2 THR 2 1HG2 THR 2 -24.058 25.726 0.523 12 2HG2 THR 2 2HG2 THR 2 -22.748 26.446 1.460 13 3HG2 THR 2 3HG2 THR 2 -23.439 27.321 0.092 14 H THR 3 H THR 3 -22.388 25.363 -2.963 15 HA THR 3 HA THR 3 -20.883 23.237 -4.299 16 HB THR 3 HB THR 3 -21.733 24.485 -6.363 17 1HG2 THR 3 1HG2 THR 3 -23.690 23.342 -6.410 18 2HG2 THR 3 2HG2 THR 3 -22.969 22.549 -5.008 19 3HG2 THR 3 3HG2 THR 3 -24.142 23.850 -4.781 20 H ALA 4 H ALA 4 -19.489 24.192 -6.152 21 HA ALA 4 HA ALA 4 -18.271 26.739 -5.589 22 1HB ALA 4 1HB ALA 4 -17.100 24.310 -4.579 23 2HB ALA 4 2HB ALA 4 -16.021 25.080 -5.741 24 3HB ALA 4 3HB ALA 4 -16.594 25.980 -4.340 25 H VAL 5 H VAL 5 -18.240 27.600 -7.545 26 HA VAL 5 HA VAL 5 -16.855 26.224 -9.700 27 HB VAL 5 HB VAL 5 -18.792 27.045 -11.275 28 1HG1 VAL 5 1HG1 VAL 5 -18.018 24.715 -10.962 29 2HG1 VAL 5 2HG1 VAL 5 -19.153 24.551 -9.621 30 3HG1 VAL 5 3HG1 VAL 5 -19.751 24.841 -11.255 31 1HG2 VAL 5 1HG2 VAL 5 -20.379 26.453 -8.774 32 2HG2 VAL 5 2HG2 VAL 5 -20.053 28.085 -9.357 33 3HG2 VAL 5 3HG2 VAL 5 -20.994 26.966 -10.343 34 H2 A2G 7 H2 A2G 7 -19.887 18.013 -1.786 35 H4 A2G 7 H4 A2G 7 -22.619 16.204 0.697 36 H5 A2G 7 H5 A2G 7 -21.985 18.333 1.625 37 H1 A2G 7 H1 A2G 7 -19.314 19.673 -0.157 38 H3 A2G 7 H3 A2G 7 -22.782 17.730 -1.013 39 HO4 A2G 7 HO4 A2G 7 -19.819 15.685 0.117 40 1H6 A2G 7 1H6 A2G 7 -19.897 16.779 3.045 41 2H6 A2G 7 2H6 A2G 7 -21.346 17.549 3.669 42 HN2 A2G 7 HN2 A2G 7 -22.013 20.052 -1.717 43 1H8 A2G 7 1H8 A2G 7 -22.423 21.072 -3.512 44 2H8 A2G 7 2H8 A2G 7 -21.035 21.226 -4.605 45 3H8 A2G 7 3H8 A2G 7 -22.335 20.080 -4.979 46 H2 A2G 10 H2 A2G 10 -18.072 27.350 -0.904 47 H4 A2G 10 H4 A2G 10 -18.768 27.427 3.087 48 H5 A2G 10 H5 A2G 10 -20.864 27.070 1.986 49 H1 A2G 10 H1 A2G 10 -20.444 27.114 -1.473 50 H3 A2G 10 H3 A2G 10 -18.415 25.689 1.617 51 HO4 A2G 10 HO4 A2G 10 -18.197 29.498 1.135 52 1H6 A2G 10 1H6 A2G 10 -21.988 29.260 2.184 53 2H6 A2G 10 2H6 A2G 10 -20.882 28.997 3.523 54 HN2 A2G 10 HN2 A2G 10 -19.006 24.568 -0.560 55 1H8 A2G 10 1H8 A2G 10 -17.474 23.042 -1.428 56 2H8 A2G 10 2H8 A2G 10 -18.160 23.515 -2.995 57 3H8 A2G 10 3H8 A2G 10 -16.405 23.564 -2.742 58 H2 A2G 13 H2 A2G 13 -22.897 28.568 -6.893 59 H4 A2G 13 H4 A2G 13 -26.407 27.597 -4.922 60 H5 A2G 13 H5 A2G 13 -25.025 25.653 -5.119 61 H1 A2G 13 H1 A2G 13 -22.272 26.271 -7.100 62 H3 A2G 13 H3 A2G 13 -24.337 28.355 -4.271 63 HO4 A2G 13 HO4 A2G 13 -25.808 28.369 -7.662 64 1H6 A2G 13 1H6 A2G 13 -27.119 24.864 -5.725 65 2H6 A2G 13 2H6 A2G 13 -27.258 25.867 -7.146 66 HN2 A2G 13 HN2 A2G 13 -22.122 27.900 -4.137 67 1H8 A2G 13 1H8 A2G 13 -20.303 28.707 -3.446 68 2H8 A2G 13 2H8 A2G 13 -19.006 28.409 -4.617 69 3H8 A2G 13 3H8 A2G 13 -19.589 30.059 -4.346 Start of MODEL 25 1 1H ACE 0 1H ACE 0 23.582 0.619 -0.135 2 2H ACE 0 2H ACE 0 25.247 0.595 0.452 3 3H ACE 0 3H ACE 0 23.965 1.270 1.461 4 H SER 1 H SER 1 25.943 -1.192 1.205 5 HA SER 1 HA SER 1 24.182 -3.416 1.728 6 1HB SER 1 1HB SER 1 26.168 -4.753 1.865 7 2HB SER 1 2HB SER 1 26.408 -3.611 0.541 8 H THR 2 H THR 2 24.376 -4.747 3.687 9 HA THR 2 HA THR 2 24.464 -3.031 6.049 10 HB THR 2 HB THR 2 23.382 -5.136 7.106 11 1HG2 THR 2 1HG2 THR 2 22.188 -3.026 6.300 12 2HG2 THR 2 2HG2 THR 2 21.729 -3.997 4.901 13 3HG2 THR 2 3HG2 THR 2 21.243 -4.499 6.521 14 H THR 3 H THR 3 24.880 -5.137 7.966 15 HA THR 3 HA THR 3 27.774 -5.430 7.717 16 HB THR 3 HB THR 3 27.465 -6.084 10.208 17 1HG2 THR 3 1HG2 THR 3 27.222 -3.765 10.962 18 2HG2 THR 3 2HG2 THR 3 28.366 -3.911 9.627 19 3HG2 THR 3 3HG2 THR 3 26.738 -3.295 9.333 20 H ALA 4 H ALA 4 28.788 -7.437 7.976 21 HA ALA 4 HA ALA 4 27.134 -9.681 7.269 22 1HB ALA 4 1HB ALA 4 29.424 -9.092 6.260 23 2HB ALA 4 2HB ALA 4 30.105 -9.779 7.735 24 3HB ALA 4 3HB ALA 4 29.123 -10.781 6.665 25 H VAL 5 H VAL 5 29.200 -11.467 8.626 26 HA VAL 5 HA VAL 5 28.505 -11.171 11.438 27 HB VAL 5 HB VAL 5 27.816 -13.690 9.896 28 1HG1 VAL 5 1HG1 VAL 5 27.631 -13.001 12.820 29 2HG1 VAL 5 2HG1 VAL 5 26.751 -14.342 12.088 30 3HG1 VAL 5 3HG1 VAL 5 28.515 -14.327 12.067 31 1HG2 VAL 5 1HG2 VAL 5 26.164 -12.022 9.413 32 2HG2 VAL 5 2HG2 VAL 5 25.469 -13.127 10.598 33 3HG2 VAL 5 3HG2 VAL 5 26.065 -11.547 11.106 34 H2 A2G 7 H2 A2G 7 30.702 -3.837 2.474 35 H4 A2G 7 H4 A2G 7 29.859 -0.376 0.416 36 H5 A2G 7 H5 A2G 7 27.854 -1.698 0.622 37 H1 A2G 7 H1 A2G 7 28.630 -4.860 1.854 38 H3 A2G 7 H3 A2G 7 29.695 -1.007 2.623 39 HO4 A2G 7 HO4 A2G 7 31.322 -2.800 -0.260 40 1H6 A2G 7 1H6 A2G 7 29.173 -1.238 -1.860 41 2H6 A2G 7 2H6 A2G 7 28.487 -2.855 -1.976 42 HN2 A2G 7 HN2 A2G 7 28.562 -2.688 4.143 43 1H8 A2G 7 1H8 A2G 7 30.466 -2.847 6.884 44 2H8 A2G 7 2H8 A2G 7 28.816 -2.789 6.238 45 3H8 A2G 7 3H8 A2G 7 29.534 -4.344 6.699 46 H2 A2G 10 H2 A2G 10 23.431 -9.242 5.838 47 H4 A2G 10 H4 A2G 10 20.624 -8.061 3.117 48 H5 A2G 10 H5 A2G 10 21.105 -6.202 4.528 49 H1 A2G 10 H1 A2G 10 23.386 -7.095 6.982 50 H3 A2G 10 H3 A2G 10 22.920 -7.991 3.119 51 HO4 A2G 10 HO4 A2G 10 20.550 -9.801 5.444 52 1H6 A2G 10 1H6 A2G 10 19.066 -7.240 6.401 53 2H6 A2G 10 2H6 A2G 10 19.006 -5.859 5.322 54 HN2 A2G 10 HN2 A2G 10 24.960 -7.215 4.319 55 1H8 A2G 10 1H8 A2G 10 27.013 -8.060 3.623 56 2H8 A2G 10 2H8 A2G 10 27.520 -7.758 5.294 57 3H8 A2G 10 3H8 A2G 10 27.770 -9.356 4.567 58 H2 A2G 13 H2 A2G 13 23.912 -7.570 12.181 59 H4 A2G 13 H4 A2G 13 22.832 -3.636 12.298 60 H5 A2G 13 H5 A2G 13 25.041 -3.743 11.436 61 H1 A2G 13 H1 A2G 13 26.131 -7.046 11.327 62 H3 A2G 13 H3 A2G 13 22.619 -5.265 10.708 63 HO4 A2G 13 HO4 A2G 13 23.569 -5.547 14.361 64 1H6 A2G 13 1H6 A2G 13 26.279 -2.705 13.127 65 2H6 A2G 13 2H6 A2G 13 24.655 -2.536 13.768 66 HN2 A2G 13 HN2 A2G 13 23.855 -6.996 9.287 67 1H8 A2G 13 1H8 A2G 13 22.153 -8.581 8.244 68 2H8 A2G 13 2H8 A2G 13 23.761 -9.324 8.217 69 3H8 A2G 13 3H8 A2G 13 22.378 -10.230 8.854 Start of MODEL 26 1 1H ACE 0 1H ACE 0 -1.031 -11.595 -22.932 2 2H ACE 0 2H ACE 0 0.409 -11.655 -21.910 3 3H ACE 0 3H ACE 0 0.570 -11.715 -23.667 4 H SER 1 H SER 1 -1.375 -9.729 -21.530 5 HA SER 1 HA SER 1 0.164 -7.334 -22.025 6 1HB SER 1 1HB SER 1 -1.568 -6.098 -23.148 7 2HB SER 1 2HB SER 1 -1.353 -7.606 -24.040 8 H THR 2 H THR 2 -0.482 -5.567 -20.690 9 HA THR 2 HA THR 2 -1.986 -6.427 -18.329 10 HB THR 2 HB THR 2 -1.005 -4.223 -17.391 11 1HG2 THR 2 1HG2 THR 2 0.072 -6.794 -17.528 12 2HG2 THR 2 2HG2 THR 2 1.397 -5.694 -17.911 13 3HG2 THR 2 3HG2 THR 2 0.499 -5.503 -16.405 14 H THR 3 H THR 3 -2.752 -3.935 -17.318 15 HA THR 3 HA THR 3 -4.965 -3.272 -19.115 16 HB THR 3 HB THR 3 -5.865 -2.231 -16.938 17 1HG2 THR 3 1HG2 THR 3 -6.787 -4.207 -16.185 18 2HG2 THR 3 2HG2 THR 3 -6.379 -4.599 -17.857 19 3HG2 THR 3 3HG2 THR 3 -5.330 -5.136 -16.542 20 H ALA 4 H ALA 4 -5.753 -0.906 -18.747 21 HA ALA 4 HA ALA 4 -3.629 0.991 -18.271 22 1HB ALA 4 1HB ALA 4 -3.131 1.555 -20.379 23 2HB ALA 4 2HB ALA 4 -3.955 0.073 -20.864 24 3HB ALA 4 3HB ALA 4 -4.829 1.603 -20.851 25 H VAL 5 H VAL 5 -4.572 2.462 -17.027 26 HA VAL 5 HA VAL 5 -7.055 3.711 -17.883 27 HB VAL 5 HB VAL 5 -7.822 3.564 -15.377 28 1HG1 VAL 5 1HG1 VAL 5 -9.401 2.054 -16.024 29 2HG1 VAL 5 2HG1 VAL 5 -8.750 2.496 -17.602 30 3HG1 VAL 5 3HG1 VAL 5 -8.235 1.000 -16.821 31 1HG2 VAL 5 1HG2 VAL 5 -6.396 0.916 -15.575 32 2HG2 VAL 5 2HG2 VAL 5 -5.677 2.312 -14.772 33 3HG2 VAL 5 3HG2 VAL 5 -7.190 1.633 -14.174 34 H2 A2G 7 H2 A2G 7 -6.008 -7.316 -24.292 35 H4 A2G 7 H4 A2G 7 -4.631 -11.175 -24.045 36 H5 A2G 7 H5 A2G 7 -2.791 -9.628 -23.639 37 H1 A2G 7 H1 A2G 7 -3.806 -6.386 -24.421 38 H3 A2G 7 H3 A2G 7 -5.301 -9.622 -22.479 39 HO4 A2G 7 HO4 A2G 7 -5.386 -9.469 -26.277 40 1H6 A2G 7 1H6 A2G 7 -2.064 -9.762 -26.421 41 2H6 A2G 7 2H6 A2G 7 -1.503 -10.777 -25.107 42 HN2 A2G 7 HN2 A2G 7 -4.844 -7.280 -21.585 43 1H8 A2G 7 1H8 A2G 7 -6.639 -4.832 -20.705 44 2H8 A2G 7 2H8 A2G 7 -7.729 -6.157 -20.261 45 3H8 A2G 7 3H8 A2G 7 -5.979 -6.345 -20.058 46 H2 A2G 10 H2 A2G 10 0.213 -0.754 -19.588 47 H4 A2G 10 H4 A2G 10 3.648 -2.765 -20.300 48 H5 A2G 10 H5 A2G 10 2.406 -4.030 -18.704 49 H1 A2G 10 H1 A2G 10 -0.598 -2.432 -18.000 50 H3 A2G 10 H3 A2G 10 1.569 -2.888 -21.276 51 HO4 A2G 10 HO4 A2G 10 3.047 -0.366 -18.786 52 1H6 A2G 10 1H6 A2G 10 3.317 -2.943 -16.391 53 2H6 A2G 10 2H6 A2G 10 4.339 -3.870 -17.468 54 HN2 A2G 10 HN2 A2G 10 -0.936 -3.109 -20.954 55 1H8 A2G 10 1H8 A2G 10 -3.658 -1.846 -21.371 56 2H8 A2G 10 2H8 A2G 10 -2.977 -1.011 -22.781 57 3H8 A2G 10 3H8 A2G 10 -2.485 -2.675 -22.414 58 H2 A2G 13 H2 A2G 13 -3.706 -0.875 -13.444 59 H4 A2G 13 H4 A2G 13 -3.451 -4.878 -12.521 60 H5 A2G 13 H5 A2G 13 -4.797 -4.642 -14.454 61 H1 A2G 13 H1 A2G 13 -5.238 -1.309 -15.264 62 H3 A2G 13 H3 A2G 13 -2.168 -3.448 -13.767 63 HO4 A2G 13 HO4 A2G 13 -4.756 -2.627 -11.231 64 1H6 A2G 13 1H6 A2G 13 -5.875 -5.619 -12.184 65 2H6 A2G 13 2H6 A2G 13 -7.003 -4.297 -12.436 66 HN2 A2G 13 HN2 A2G 13 -2.015 -2.050 -15.557 67 1H8 A2G 13 1H8 A2G 13 -0.689 -0.743 -16.549 68 2H8 A2G 13 2H8 A2G 13 -1.553 0.705 -17.096 69 3H8 A2G 13 3H8 A2G 13 -0.339 0.830 -15.810 Start of MODEL 27 1 1H ACE 0 1H ACE 0 33.441 26.769 -11.537 2 2H ACE 0 2H ACE 0 31.932 25.899 -11.245 3 3H ACE 0 3H ACE 0 33.398 25.442 -10.372 4 H SER 1 H SER 1 31.726 25.703 -8.666 5 HA SER 1 HA SER 1 32.212 28.176 -7.273 6 1HB SER 1 1HB SER 1 29.838 28.727 -6.943 7 2HB SER 1 2HB SER 1 30.248 28.745 -8.660 8 H THR 2 H THR 2 30.406 28.000 -5.239 9 HA THR 2 HA THR 2 31.218 25.510 -3.938 10 HB THR 2 HB THR 2 30.226 26.798 -1.891 11 1HG2 THR 2 1HG2 THR 2 32.431 28.469 -2.615 12 2HG2 THR 2 2HG2 THR 2 32.314 27.230 -1.363 13 3HG2 THR 2 3HG2 THR 2 32.772 26.782 -3.006 14 H THR 3 H THR 3 29.028 25.588 -1.973 15 HA THR 3 HA THR 3 26.958 24.365 -3.618 16 HB THR 3 HB THR 3 26.245 23.535 -1.248 17 1HG2 THR 3 1HG2 THR 3 27.646 22.333 -3.151 18 2HG2 THR 3 2HG2 THR 3 28.910 22.443 -1.922 19 3HG2 THR 3 3HG2 THR 3 27.398 21.606 -1.561 20 H ALA 4 H ALA 4 24.750 24.856 -3.288 21 HA ALA 4 HA ALA 4 24.327 27.574 -2.451 22 1HB ALA 4 1HB ALA 4 23.352 26.451 -4.551 23 2HB ALA 4 2HB ALA 4 22.189 25.708 -3.452 24 3HB ALA 4 3HB ALA 4 22.275 27.465 -3.593 25 H VAL 5 H VAL 5 21.453 26.798 -1.801 26 HA VAL 5 HA VAL 5 21.748 25.485 0.777 27 HB VAL 5 HB VAL 5 20.376 27.406 1.834 28 1HG1 VAL 5 1HG1 VAL 5 22.758 26.787 2.334 29 2HG1 VAL 5 2HG1 VAL 5 23.249 28.030 1.182 30 3HG1 VAL 5 3HG1 VAL 5 22.341 28.474 2.628 31 1HG2 VAL 5 1HG2 VAL 5 20.756 29.622 0.901 32 2HG2 VAL 5 2HG2 VAL 5 21.671 28.927 -0.438 33 3HG2 VAL 5 3HG2 VAL 5 19.944 28.602 -0.285 34 H2 A2G 7 H2 A2G 7 25.985 26.829 -8.931 35 H4 A2G 7 H4 A2G 7 28.588 26.039 -12.004 36 H5 A2G 7 H5 A2G 7 29.788 27.183 -10.239 37 H1 A2G 7 H1 A2G 7 27.497 28.336 -7.852 38 H3 A2G 7 H3 A2G 7 28.055 24.955 -10.048 39 HO4 A2G 7 HO4 A2G 7 26.485 28.024 -11.685 40 1H6 A2G 7 1H6 A2G 7 30.287 29.319 -11.320 41 2H6 A2G 7 2H6 A2G 7 29.979 28.133 -12.580 42 HN2 A2G 7 HN2 A2G 7 28.042 25.265 -7.504 43 1H8 A2G 7 1H8 A2G 7 27.331 23.696 -6.212 44 2H8 A2G 7 2H8 A2G 7 26.046 24.433 -5.239 45 3H8 A2G 7 3H8 A2G 7 25.664 23.108 -6.350 46 H2 A2G 10 H2 A2G 10 27.342 29.949 -1.941 47 H4 A2G 10 H4 A2G 10 30.470 32.408 -2.819 48 H5 A2G 10 H5 A2G 10 31.342 30.242 -2.385 49 H1 A2G 10 H1 A2G 10 28.808 28.050 -1.505 50 H3 A2G 10 H3 A2G 10 29.171 31.027 -4.116 51 HO4 A2G 10 HO4 A2G 10 28.653 32.166 -0.560 52 1H6 A2G 10 1H6 A2G 10 31.820 32.319 -0.635 53 2H6 A2G 10 2H6 A2G 10 31.365 31.041 0.480 54 HN2 A2G 10 HN2 A2G 10 28.251 28.747 -4.481 55 1H8 A2G 10 1H8 A2G 10 26.059 28.761 -5.993 56 2H8 A2G 10 2H8 A2G 10 26.499 27.229 -5.218 57 3H8 A2G 10 3H8 A2G 10 24.849 27.859 -5.063 58 H2 A2G 13 H2 A2G 13 27.323 25.251 2.555 59 H4 A2G 13 H4 A2G 13 30.955 23.554 1.890 60 H5 A2G 13 H5 A2G 13 29.466 22.683 0.274 61 H1 A2G 13 H1 A2G 13 26.326 24.114 0.626 62 H3 A2G 13 H3 A2G 13 29.990 25.480 1.131 63 HO4 A2G 13 HO4 A2G 13 28.946 23.143 3.942 64 1H6 A2G 13 1H6 A2G 13 28.727 20.436 1.211 65 2H6 A2G 13 2H6 A2G 13 30.418 20.822 1.466 66 HN2 A2G 13 HN2 A2G 13 28.045 26.584 0.016 67 1H8 A2G 13 1H8 A2G 13 26.915 29.582 1.346 68 2H8 A2G 13 2H8 A2G 13 27.597 28.737 -0.051 69 3H8 A2G 13 3H8 A2G 13 25.853 28.700 0.236 Start of MODEL 28 1 1H ACE 0 1H ACE 0 0.066 -19.856 -22.825 2 2H ACE 0 2H ACE 0 -1.565 -20.501 -22.615 3 3H ACE 0 3H ACE 0 -0.454 -20.447 -21.243 4 H SER 1 H SER 1 -1.490 -18.217 -23.756 5 HA SER 1 HA SER 1 -1.574 -15.990 -21.927 6 1HB SER 1 1HB SER 1 -2.111 -14.645 -23.879 7 2HB SER 1 2HB SER 1 -0.795 -15.749 -24.282 8 H THR 2 H THR 2 -3.559 -14.453 -22.264 9 HA THR 2 HA THR 2 -5.913 -15.990 -21.453 10 HB THR 2 HB THR 2 -6.711 -13.594 -20.829 11 1HG2 THR 2 1HG2 THR 2 -4.465 -13.819 -19.099 12 2HG2 THR 2 2HG2 THR 2 -6.161 -14.180 -18.775 13 3HG2 THR 2 3HG2 THR 2 -5.103 -15.431 -19.429 14 H THR 3 H THR 3 -7.903 -14.062 -22.045 15 HA THR 3 HA THR 3 -8.115 -14.408 -24.943 16 HB THR 3 HB THR 3 -10.565 -13.854 -24.454 17 1HG2 THR 3 1HG2 THR 3 -9.595 -16.213 -24.637 18 2HG2 THR 3 2HG2 THR 3 -9.672 -16.234 -22.875 19 3HG2 THR 3 3HG2 THR 3 -11.146 -16.020 -23.819 20 H ALA 4 H ALA 4 -8.802 -12.670 -26.264 21 HA ALA 4 HA ALA 4 -7.907 -10.107 -25.306 22 1HB ALA 4 1HB ALA 4 -7.845 -9.434 -27.567 23 2HB ALA 4 2HB ALA 4 -7.352 -11.127 -27.588 24 3HB ALA 4 3HB ALA 4 -8.993 -10.680 -28.054 25 H VAL 5 H VAL 5 -9.814 -8.868 -27.361 26 HA VAL 5 HA VAL 5 -11.949 -8.339 -25.452 27 HB VAL 5 HB VAL 5 -11.403 -7.013 -28.122 28 1HG1 VAL 5 1HG1 VAL 5 -13.270 -6.332 -25.860 29 2HG1 VAL 5 2HG1 VAL 5 -12.804 -5.178 -27.110 30 3HG1 VAL 5 3HG1 VAL 5 -13.672 -6.649 -27.546 31 1HG2 VAL 5 1HG2 VAL 5 -10.669 -6.122 -25.327 32 2HG2 VAL 5 2HG2 VAL 5 -9.545 -6.689 -26.563 33 3HG2 VAL 5 3HG2 VAL 5 -10.433 -5.183 -26.800 34 H2 A2G 7 H2 A2G 7 -3.637 -15.428 -28.133 35 H4 A2G 7 H4 A2G 7 -0.801 -18.398 -28.147 36 H5 A2G 7 H5 A2G 7 -0.843 -17.329 -25.969 37 H1 A2G 7 H1 A2G 7 -2.807 -14.449 -26.116 38 H3 A2G 7 H3 A2G 7 -2.999 -18.292 -27.449 39 HO4 A2G 7 HO4 A2G 7 -0.917 -15.739 -29.329 40 1H6 A2G 7 1H6 A2G 7 1.405 -17.065 -26.000 41 2H6 A2G 7 2H6 A2G 7 1.364 -17.164 -27.748 42 HN2 A2G 7 HN2 A2G 7 -4.567 -17.041 -25.849 43 1H8 A2G 7 1H8 A2G 7 -7.498 -17.530 -27.093 44 2H8 A2G 7 2H8 A2G 7 -6.650 -17.181 -25.575 45 3H8 A2G 7 3H8 A2G 7 -7.658 -15.935 -26.335 46 H2 A2G 10 H2 A2G 10 -5.420 -9.786 -22.293 47 H4 A2G 10 H4 A2G 10 -2.096 -10.227 -20.003 48 H5 A2G 10 H5 A2G 10 -3.559 -12.084 -19.559 49 H1 A2G 10 H1 A2G 10 -6.541 -11.714 -21.306 50 H3 A2G 10 H3 A2G 10 -2.688 -11.107 -22.051 51 HO4 A2G 10 HO4 A2G 10 -4.422 -8.492 -19.824 52 1H6 A2G 10 1H6 A2G 10 -4.885 -10.757 -17.430 53 2H6 A2G 10 2H6 A2G 10 -3.366 -11.627 -17.353 54 HN2 A2G 10 HN2 A2G 10 -4.329 -12.279 -23.458 55 1H8 A2G 10 1H8 A2G 10 -4.249 -12.146 -25.777 56 2H8 A2G 10 2H8 A2G 10 -5.976 -12.538 -25.686 57 3H8 A2G 10 3H8 A2G 10 -5.436 -11.126 -26.612 58 H2 A2G 13 H2 A2G 13 -12.066 -11.413 -21.150 59 H4 A2G 13 H4 A2G 13 -11.969 -15.029 -19.249 60 H5 A2G 13 H5 A2G 13 -11.481 -15.413 -21.517 61 H1 A2G 13 H1 A2G 13 -11.450 -12.440 -23.288 62 H3 A2G 13 H3 A2G 13 -10.415 -13.382 -19.560 63 HO4 A2G 13 HO4 A2G 13 -14.111 -13.174 -19.886 64 1H6 A2G 13 1H6 A2G 13 -13.918 -16.252 -20.562 65 2H6 A2G 13 2H6 A2G 13 -14.413 -15.400 -22.019 66 HN2 A2G 13 HN2 A2G 13 -9.181 -12.008 -20.993 67 1H8 A2G 13 1H8 A2G 13 -8.624 -8.574 -20.895 68 2H8 A2G 13 2H8 A2G 13 -7.935 -10.200 -20.747 69 3H8 A2G 13 3H8 A2G 13 -8.206 -9.493 -22.348 Start of MODEL 29 1 1H ACE 0 1H ACE 0 -2.680 38.276 -7.260 2 2H ACE 0 2H ACE 0 -4.348 38.257 -7.842 3 3H ACE 0 3H ACE 0 -3.700 39.705 -7.065 4 H SER 1 H SER 1 -4.692 40.463 -9.136 5 HA SER 1 HA SER 1 -3.127 40.122 -11.542 6 1HB SER 1 1HB SER 1 -4.711 41.910 -12.423 7 2HB SER 1 2HB SER 1 -5.481 40.427 -11.857 8 H THR 2 H THR 2 -2.705 42.380 -12.750 9 HA THR 2 HA THR 2 -0.850 43.813 -11.004 10 HB THR 2 HB THR 2 -0.231 44.861 -13.337 11 1HG2 THR 2 1HG2 THR 2 1.522 43.450 -13.490 12 2HG2 THR 2 2HG2 THR 2 0.968 42.988 -11.880 13 3HG2 THR 2 3HG2 THR 2 0.526 42.008 -13.279 14 H THR 3 H THR 3 -0.589 46.225 -12.225 15 HA THR 3 HA THR 3 -3.144 47.515 -11.611 16 HB THR 3 HB THR 3 -1.589 49.546 -11.415 17 1HG2 THR 3 1HG2 THR 3 -2.352 48.279 -9.424 18 2HG2 THR 3 2HG2 THR 3 -0.925 47.251 -9.589 19 3HG2 THR 3 3HG2 THR 3 -0.738 48.971 -9.244 20 H ALA 4 H ALA 4 -3.994 49.062 -13.020 21 HA ALA 4 HA ALA 4 -2.603 49.674 -15.465 22 1HB ALA 4 1HB ALA 4 -5.083 47.969 -15.451 23 2HB ALA 4 2HB ALA 4 -4.594 48.908 -16.862 24 3HB ALA 4 3HB ALA 4 -3.534 47.649 -16.229 25 H VAL 5 H VAL 5 -2.851 51.818 -15.546 26 HA VAL 5 HA VAL 5 -5.532 52.954 -15.453 27 HB VAL 5 HB VAL 5 -4.589 54.853 -13.963 28 1HG1 VAL 5 1HG1 VAL 5 -5.443 53.825 -12.001 29 2HG1 VAL 5 2HG1 VAL 5 -6.360 53.181 -13.363 30 3HG1 VAL 5 3HG1 VAL 5 -5.092 52.211 -12.613 31 1HG2 VAL 5 1HG2 VAL 5 -2.897 54.158 -12.339 32 2HG2 VAL 5 2HG2 VAL 5 -2.732 52.604 -13.158 33 3HG2 VAL 5 3HG2 VAL 5 -2.251 54.091 -13.978 34 H2 A2G 7 H2 A2G 7 -6.777 45.186 -10.687 35 H4 A2G 7 H4 A2G 7 -9.446 42.615 -8.962 36 H5 A2G 7 H5 A2G 7 -7.816 41.321 -10.206 37 H1 A2G 7 H1 A2G 7 -5.815 43.495 -12.088 38 H3 A2G 7 H3 A2G 7 -7.360 43.376 -8.347 39 HO4 A2G 7 HO4 A2G 7 -9.606 44.389 -11.262 40 1H6 A2G 7 1H6 A2G 7 -9.271 40.289 -11.740 41 2H6 A2G 7 2H6 A2G 7 -10.419 41.167 -10.746 42 HN2 A2G 7 HN2 A2G 7 -4.911 43.565 -9.086 43 1H8 A2G 7 1H8 A2G 7 -2.795 46.091 -8.971 44 2H8 A2G 7 2H8 A2G 7 -3.743 46.129 -7.473 45 3H8 A2G 7 3H8 A2G 7 -3.291 44.574 -8.197 46 H2 A2G 10 H2 A2G 10 -2.231 44.622 -17.129 47 H4 A2G 10 H4 A2G 10 -1.198 40.668 -17.112 48 H5 A2G 10 H5 A2G 10 -0.153 41.703 -15.259 49 H1 A2G 10 H1 A2G 10 -0.824 45.103 -15.195 50 H3 A2G 10 H3 A2G 10 -2.921 41.842 -16.146 51 HO4 A2G 10 HO4 A2G 10 -0.523 42.910 -18.828 52 1H6 A2G 10 1H6 A2G 10 2.012 42.334 -17.235 53 2H6 A2G 10 2H6 A2G 10 2.057 41.346 -15.789 54 HN2 A2G 10 HN2 A2G 10 -3.528 43.723 -14.630 55 1H8 A2G 10 1H8 A2G 10 -5.602 44.378 -14.373 56 2H8 A2G 10 2H8 A2G 10 -5.286 46.125 -14.338 57 3H8 A2G 10 3H8 A2G 10 -6.393 45.446 -15.548 58 H2 A2G 13 H2 A2G 13 2.365 50.286 -13.018 59 H4 A2G 13 H4 A2G 13 3.696 47.547 -10.259 60 H5 A2G 13 H5 A2G 13 1.346 47.880 -9.969 61 H1 A2G 13 H1 A2G 13 0.159 50.367 -12.037 62 H3 A2G 13 H3 A2G 13 2.833 47.381 -12.374 63 HO4 A2G 13 HO4 A2G 13 4.139 50.389 -10.634 64 1H6 A2G 13 1H6 A2G 13 2.568 49.976 -8.131 65 2H6 A2G 13 2H6 A2G 13 1.202 48.942 -7.816 66 HN2 A2G 13 HN2 A2G 13 0.820 47.906 -13.800 67 1H8 A2G 13 1H8 A2G 13 1.181 47.332 -16.039 68 2H8 A2G 13 2H8 A2G 13 0.073 48.682 -16.350 69 3H8 A2G 13 3H8 A2G 13 1.643 48.616 -17.172 Start of MODEL 30 1 1H ACE 0 1H ACE 0 25.017 34.325 -11.419 2 2H ACE 0 2H ACE 0 23.373 33.700 -11.262 3 3H ACE 0 3H ACE 0 23.988 34.872 -10.092 4 H SER 1 H SER 1 23.735 34.500 -13.582 5 HA SER 1 HA SER 1 22.170 36.907 -13.886 6 1HB SER 1 1HB SER 1 23.749 38.093 -15.268 7 2HB SER 1 2HB SER 1 24.578 37.671 -13.764 8 H THR 2 H THR 2 21.462 37.247 -16.117 9 HA THR 2 HA THR 2 21.287 34.698 -17.551 10 HB THR 2 HB THR 2 19.516 36.022 -18.892 11 1HG2 THR 2 1HG2 THR 2 19.181 35.289 -16.014 12 2HG2 THR 2 2HG2 THR 2 17.847 35.919 -16.981 13 3HG2 THR 2 3HG2 THR 2 18.647 34.421 -17.455 14 H THR 3 H THR 3 20.735 35.744 -20.139 15 HA THR 3 HA THR 3 23.439 36.548 -20.922 16 HB THR 3 HB THR 3 22.514 35.814 -23.218 17 1HG2 THR 3 1HG2 THR 3 22.952 33.962 -20.912 18 2HG2 THR 3 2HG2 THR 3 22.504 33.335 -22.498 19 3HG2 THR 3 3HG2 THR 3 23.986 34.272 -22.308 20 H ALA 4 H ALA 4 23.450 37.863 -23.036 21 HA ALA 4 HA ALA 4 21.255 39.709 -23.332 22 1HB ALA 4 1HB ALA 4 23.349 40.405 -21.608 23 2HB ALA 4 2HB ALA 4 23.654 41.303 -23.093 24 3HB ALA 4 3HB ALA 4 22.109 41.474 -22.259 25 H VAL 5 H VAL 5 20.981 39.871 -25.458 26 HA VAL 5 HA VAL 5 23.271 40.341 -27.203 27 HB VAL 5 HB VAL 5 21.287 38.132 -27.813 28 1HG1 VAL 5 1HG1 VAL 5 22.074 39.100 -29.833 29 2HG1 VAL 5 2HG1 VAL 5 23.737 39.137 -29.246 30 3HG1 VAL 5 3HG1 VAL 5 22.962 37.594 -29.608 31 1HG2 VAL 5 1HG2 VAL 5 22.709 37.383 -26.014 32 2HG2 VAL 5 2HG2 VAL 5 23.233 36.602 -27.506 33 3HG2 VAL 5 3HG2 VAL 5 24.147 37.961 -26.852 34 H2 A2G 7 H2 A2G 7 28.016 36.664 -16.832 35 H4 A2G 7 H4 A2G 7 28.291 35.165 -12.963 36 H5 A2G 7 H5 A2G 7 26.066 36.085 -13.421 37 H1 A2G 7 H1 A2G 7 26.157 38.038 -16.272 38 H3 A2G 7 H3 A2G 7 27.509 34.356 -14.984 39 HO4 A2G 7 HO4 A2G 7 29.403 37.513 -14.292 40 1H6 A2G 7 1H6 A2G 7 26.769 36.634 -11.204 41 2H6 A2G 7 2H6 A2G 7 27.881 37.875 -11.732 42 HN2 A2G 7 HN2 A2G 7 25.879 34.638 -16.577 43 1H8 A2G 7 1H8 A2G 7 25.209 33.729 -18.354 44 2H8 A2G 7 2H8 A2G 7 24.943 34.912 -19.647 45 3H8 A2G 7 3H8 A2G 7 26.297 33.772 -19.754 46 H2 A2G 10 H2 A2G 10 19.215 40.271 -19.417 47 H4 A2G 10 H4 A2G 10 17.400 40.227 -15.792 48 H5 A2G 10 H5 A2G 10 17.673 37.963 -16.454 49 H1 A2G 10 H1 A2G 10 19.251 37.828 -19.559 50 H3 A2G 10 H3 A2G 10 19.614 40.192 -16.406 51 HO4 A2G 10 HO4 A2G 10 16.473 40.854 -18.473 52 1H6 A2G 10 1H6 A2G 10 15.437 37.276 -17.317 53 2H6 A2G 10 2H6 A2G 10 15.295 38.467 -16.036 54 HN2 A2G 10 HN2 A2G 10 21.405 39.116 -17.801 55 1H8 A2G 10 1H8 A2G 10 23.519 39.487 -19.932 56 2H8 A2G 10 2H8 A2G 10 23.638 41.185 -19.424 57 3H8 A2G 10 3H8 A2G 10 23.384 39.914 -18.213 58 H2 A2G 13 H2 A2G 13 18.388 35.636 -24.507 59 H4 A2G 13 H4 A2G 13 18.306 32.035 -22.542 60 H5 A2G 13 H5 A2G 13 20.513 32.935 -22.416 61 H1 A2G 13 H1 A2G 13 20.772 35.868 -24.222 62 H3 A2G 13 H3 A2G 13 18.015 34.199 -21.864 63 HO4 A2G 13 HO4 A2G 13 18.160 32.805 -25.347 64 1H6 A2G 13 1H6 A2G 13 19.937 30.683 -24.078 65 2H6 A2G 13 2H6 A2G 13 21.242 31.556 -24.861 66 HN2 A2G 13 HN2 A2G 13 18.975 36.482 -21.730 67 1H8 A2G 13 1H8 A2G 13 16.914 38.449 -21.394 68 2H8 A2G 13 2H8 A2G 13 18.660 38.734 -21.473 69 3H8 A2G 13 3H8 A2G 13 17.571 39.614 -22.557 Start of MODEL 31 1 1H ACE 0 1H ACE 0 -15.803 -10.371 -31.929 2 2H ACE 0 2H ACE 0 -14.863 -8.992 -32.509 3 3H ACE 0 3H ACE 0 -16.476 -9.299 -33.161 4 H SER 1 H SER 1 -16.770 -7.072 -32.587 5 HA SER 1 HA SER 1 -16.970 -6.340 -29.800 6 1HB SER 1 1HB SER 1 -17.718 -4.178 -30.628 7 2HB SER 1 2HB SER 1 -16.334 -4.708 -31.589 8 H THR 2 H THR 2 -18.988 -5.384 -28.928 9 HA THR 2 HA THR 2 -21.262 -7.116 -29.561 10 HB THR 2 HB THR 2 -22.124 -6.077 -27.348 11 1HG2 THR 2 1HG2 THR 2 -21.239 -7.759 -26.131 12 2HG2 THR 2 2HG2 THR 2 -20.837 -8.348 -27.743 13 3HG2 THR 2 3HG2 THR 2 -19.613 -7.524 -26.776 14 H THR 3 H THR 3 -23.297 -5.438 -28.462 15 HA THR 3 HA THR 3 -23.620 -3.525 -30.652 16 HB THR 3 HB THR 3 -26.055 -3.610 -29.792 17 1HG2 THR 3 1HG2 THR 3 -24.850 -6.152 -30.862 18 2HG2 THR 3 2HG2 THR 3 -26.558 -5.716 -30.901 19 3HG2 THR 3 3HG2 THR 3 -25.387 -4.779 -31.830 20 H ALA 4 H ALA 4 -24.539 -1.416 -30.181 21 HA ALA 4 HA ALA 4 -23.525 -0.372 -27.693 22 1HB ALA 4 1HB ALA 4 -23.793 1.788 -28.655 23 2HB ALA 4 2HB ALA 4 -23.210 0.744 -29.951 24 3HB ALA 4 3HB ALA 4 -24.916 1.184 -29.873 25 H VAL 5 H VAL 5 -25.660 1.811 -27.927 26 HA VAL 5 HA VAL 5 -28.033 0.426 -26.978 27 HB VAL 5 HB VAL 5 -26.790 0.636 -24.918 28 1HG1 VAL 5 1HG1 VAL 5 -25.298 2.478 -25.692 29 2HG1 VAL 5 2HG1 VAL 5 -26.616 3.608 -25.380 30 3HG1 VAL 5 3HG1 VAL 5 -25.915 2.680 -24.054 31 1HG2 VAL 5 1HG2 VAL 5 -29.267 1.160 -24.972 32 2HG2 VAL 5 2HG2 VAL 5 -28.383 1.778 -23.577 33 3HG2 VAL 5 3HG2 VAL 5 -28.823 2.864 -24.895 34 H2 A2G 7 H2 A2G 7 -19.958 -2.625 -34.209 35 H4 A2G 7 H4 A2G 7 -16.720 -4.047 -36.243 36 H5 A2G 7 H5 A2G 7 -16.394 -4.500 -33.898 37 H1 A2G 7 H1 A2G 7 -18.950 -2.994 -32.048 38 H3 A2G 7 H3 A2G 7 -18.653 -5.020 -35.509 39 HO4 A2G 7 HO4 A2G 7 -17.551 -1.364 -35.497 40 1H6 A2G 7 1H6 A2G 7 -14.593 -2.956 -33.329 41 2H6 A2G 7 2H6 A2G 7 -14.547 -3.219 -35.068 42 HN2 A2G 7 HN2 A2G 7 -20.164 -5.474 -33.471 43 1H8 A2G 7 1H8 A2G 7 -22.212 -6.053 -32.850 44 2H8 A2G 7 2H8 A2G 7 -23.613 -5.023 -33.190 45 3H8 A2G 7 3H8 A2G 7 -22.901 -6.002 -34.483 46 H2 A2G 10 H2 A2G 10 -21.020 -2.386 -25.459 47 H4 A2G 10 H4 A2G 10 -17.739 -4.426 -24.143 48 H5 A2G 10 H5 A2G 10 -19.146 -5.969 -25.300 49 H1 A2G 10 H1 A2G 10 -22.056 -4.404 -26.339 50 H3 A2G 10 H3 A2G 10 -18.207 -3.329 -26.099 51 HO4 A2G 10 HO4 A2G 10 -20.100 -3.378 -22.809 52 1H6 A2G 10 1H6 A2G 10 -20.039 -7.343 -23.528 53 2H6 A2G 10 2H6 A2G 10 -18.594 -6.566 -22.900 54 HN2 A2G 10 HN2 A2G 10 -19.753 -3.131 -28.032 55 1H8 A2G 10 1H8 A2G 10 -21.563 -0.540 -29.530 56 2H8 A2G 10 2H8 A2G 10 -19.809 -0.480 -29.290 57 3H8 A2G 10 3H8 A2G 10 -20.587 -1.999 -29.770 58 H2 A2G 13 H2 A2G 13 -27.370 -4.717 -25.784 59 H4 A2G 13 H4 A2G 13 -27.097 -8.500 -27.318 60 H5 A2G 13 H5 A2G 13 -26.710 -6.973 -29.077 61 H1 A2G 13 H1 A2G 13 -26.908 -3.713 -27.962 62 H3 A2G 13 H3 A2G 13 -25.593 -7.109 -26.315 63 HO4 A2G 13 HO4 A2G 13 -29.330 -6.914 -26.357 64 1H6 A2G 13 1H6 A2G 13 -29.644 -6.779 -29.439 65 2H6 A2G 13 2H6 A2G 13 -28.447 -7.541 -30.462 66 HN2 A2G 13 HN2 A2G 13 -24.496 -4.797 -26.447 67 1H8 A2G 13 1H8 A2G 13 -23.487 -2.892 -25.145 68 2H8 A2G 13 2H8 A2G 13 -23.929 -2.954 -23.431 69 3H8 A2G 13 3H8 A2G 13 -23.233 -4.380 -24.218 Start of MODEL 32 1 1H ACE 0 1H ACE 0 9.554 -32.709 -30.516 2 2H ACE 0 2H ACE 0 11.131 -33.234 -29.916 3 3H ACE 0 3H ACE 0 11.032 -32.096 -31.263 4 H SER 1 H SER 1 12.532 -31.005 -29.789 5 HA SER 1 HA SER 1 11.437 -29.684 -27.470 6 1HB SER 1 1HB SER 1 13.620 -28.701 -27.207 7 2HB SER 1 2HB SER 1 13.846 -30.390 -27.666 8 H THR 2 H THR 2 11.191 -27.429 -27.211 9 HA THR 2 HA THR 2 10.363 -26.071 -29.668 10 HB THR 2 HB THR 2 9.398 -24.406 -27.957 11 1HG2 THR 2 1HG2 THR 2 7.646 -25.588 -28.743 12 2HG2 THR 2 2HG2 THR 2 8.438 -27.144 -28.490 13 3HG2 THR 2 3HG2 THR 2 7.696 -26.301 -27.129 14 H THR 3 H THR 3 10.539 -23.438 -28.919 15 HA THR 3 HA THR 3 13.431 -22.977 -28.956 16 HB THR 3 HB THR 3 12.607 -20.693 -29.848 17 1HG2 THR 3 1HG2 THR 3 12.379 -21.466 -32.070 18 2HG2 THR 3 2HG2 THR 3 13.496 -22.575 -31.272 19 3HG2 THR 3 3HG2 THR 3 11.814 -23.047 -31.528 20 H ALA 4 H ALA 4 13.880 -20.595 -28.138 21 HA ALA 4 HA ALA 4 12.336 -19.845 -25.821 22 1HB ALA 4 1HB ALA 4 13.593 -20.802 -24.249 23 2HB ALA 4 2HB ALA 4 14.562 -21.573 -25.505 24 3HB ALA 4 3HB ALA 4 15.028 -19.993 -24.875 25 H VAL 5 H VAL 5 12.203 -17.706 -25.931 26 HA VAL 5 HA VAL 5 14.240 -16.187 -27.361 27 HB VAL 5 HB VAL 5 11.615 -15.222 -26.194 28 1HG1 VAL 5 1HG1 VAL 5 13.087 -13.373 -26.498 29 2HG1 VAL 5 2HG1 VAL 5 13.579 -13.947 -28.091 30 3HG1 VAL 5 3HG1 VAL 5 11.938 -13.354 -27.834 31 1HG2 VAL 5 1HG2 VAL 5 10.867 -15.269 -28.601 32 2HG2 VAL 5 2HG2 VAL 5 12.321 -16.200 -28.962 33 3HG2 VAL 5 3HG2 VAL 5 11.104 -16.853 -27.864 34 H2 A2G 7 H2 A2G 7 17.334 -28.166 -29.931 35 H4 A2G 7 H4 A2G 7 16.063 -31.640 -31.729 36 H5 A2G 7 H5 A2G 7 14.588 -31.115 -29.886 37 H1 A2G 7 H1 A2G 7 15.900 -28.466 -28.043 38 H3 A2G 7 H3 A2G 7 15.518 -29.439 -31.977 39 HO4 A2G 7 HO4 A2G 7 18.292 -31.058 -29.956 40 1H6 A2G 7 1H6 A2G 7 15.210 -32.869 -28.227 41 2H6 A2G 7 2H6 A2G 7 15.414 -33.442 -29.877 42 HN2 A2G 7 HN2 A2G 7 14.579 -27.434 -30.717 43 1H8 A2G 7 1H8 A2G 7 15.550 -24.131 -30.719 44 2H8 A2G 7 2H8 A2G 7 15.306 -24.925 -32.283 45 3H8 A2G 7 3H8 A2G 7 14.236 -25.303 -30.922 46 H2 A2G 10 H2 A2G 10 10.608 -23.633 -23.898 47 H4 A2G 10 H4 A2G 10 8.807 -27.113 -22.920 48 H5 A2G 10 H5 A2G 10 8.309 -26.651 -25.229 49 H1 A2G 10 H1 A2G 10 9.700 -23.627 -26.178 50 H3 A2G 10 H3 A2G 10 10.819 -26.666 -23.949 51 HO4 A2G 10 HO4 A2G 10 8.207 -24.336 -22.341 52 1H6 A2G 10 1H6 A2G 10 5.956 -25.235 -24.768 53 2H6 A2G 10 2H6 A2G 10 6.130 -26.975 -24.667 54 HN2 A2G 10 HN2 A2G 10 12.131 -25.440 -25.676 55 1H8 A2G 10 1H8 A2G 10 14.274 -23.534 -26.329 56 2H8 A2G 10 2H8 A2G 10 15.050 -23.776 -24.752 57 3H8 A2G 10 3H8 A2G 10 14.326 -25.153 -25.603 58 H2 A2G 13 H2 A2G 13 8.655 -18.845 -29.735 59 H4 A2G 13 H4 A2G 13 7.712 -21.696 -32.565 60 H5 A2G 13 H5 A2G 13 10.028 -21.889 -32.028 61 H1 A2G 13 H1 A2G 13 11.000 -19.403 -29.836 62 H3 A2G 13 H3 A2G 13 7.652 -21.639 -30.287 63 HO4 A2G 13 HO4 A2G 13 8.004 -18.808 -32.714 64 1H6 A2G 13 1H6 A2G 13 10.619 -19.907 -34.114 65 2H6 A2G 13 2H6 A2G 13 10.811 -21.653 -34.135 66 HN2 A2G 13 HN2 A2G 13 8.830 -21.429 -28.321 67 1H8 A2G 13 1H8 A2G 13 9.113 -21.356 -26.194 68 2H8 A2G 13 2H8 A2G 13 9.537 -19.841 -25.380 69 3H8 A2G 13 3H8 A2G 13 7.835 -20.259 -25.641 Start of MODEL 33 1 1H ACE 0 1H ACE 0 -16.983 0.398 -35.871 2 2H ACE 0 2H ACE 0 -18.493 -0.170 -36.590 3 3H ACE 0 3H ACE 0 -17.543 -1.248 -35.562 4 H SER 1 H SER 1 -17.915 2.103 -34.887 5 HA SER 1 HA SER 1 -20.120 1.804 -33.036 6 1HB SER 1 1HB SER 1 -18.761 2.621 -31.081 7 2HB SER 1 2HB SER 1 -18.321 0.996 -31.611 8 H THR 2 H THR 2 -21.068 3.768 -32.532 9 HA THR 2 HA THR 2 -19.999 6.051 -34.013 10 HB THR 2 HB THR 2 -22.312 7.047 -33.445 11 1HG2 THR 2 1HG2 THR 2 -23.308 6.155 -35.314 12 2HG2 THR 2 2HG2 THR 2 -21.593 5.905 -35.639 13 3HG2 THR 2 3HG2 THR 2 -22.589 4.565 -35.068 14 H THR 3 H THR 3 -21.277 8.099 -32.536 15 HA THR 3 HA THR 3 -19.453 8.290 -30.268 16 HB THR 3 HB THR 3 -20.318 10.778 -30.559 17 1HG2 THR 3 1HG2 THR 3 -18.660 9.626 -32.784 18 2HG2 THR 3 2HG2 THR 3 -18.614 11.265 -32.131 19 3HG2 THR 3 3HG2 THR 3 -18.023 9.914 -31.163 20 H ALA 4 H ALA 4 -20.263 9.590 -28.399 21 HA ALA 4 HA ALA 4 -23.107 9.571 -27.955 22 1HB ALA 4 1HB ALA 4 -23.285 7.832 -26.543 23 2HB ALA 4 2HB ALA 4 -21.738 7.306 -27.205 24 3HB ALA 4 3HB ALA 4 -21.786 8.238 -25.711 25 H VAL 5 H VAL 5 -23.469 11.526 -27.109 26 HA VAL 5 HA VAL 5 -21.393 12.846 -25.542 27 HB VAL 5 HB VAL 5 -24.065 13.958 -26.432 28 1HG1 VAL 5 1HG1 VAL 5 -22.889 16.146 -26.108 29 2HG1 VAL 5 2HG1 VAL 5 -23.190 15.240 -24.625 30 3HG1 VAL 5 3HG1 VAL 5 -21.576 15.257 -25.338 31 1HG2 VAL 5 1HG2 VAL 5 -22.685 15.123 -28.189 32 2HG2 VAL 5 2HG2 VAL 5 -21.356 14.043 -27.764 33 3HG2 VAL 5 3HG2 VAL 5 -22.858 13.384 -28.414 34 H2 A2G 7 H2 A2G 7 -15.137 4.636 -30.380 35 H4 A2G 7 H4 A2G 7 -13.148 2.025 -32.782 36 H5 A2G 7 H5 A2G 7 -15.284 1.106 -32.320 37 H1 A2G 7 H1 A2G 7 -17.056 3.145 -30.144 38 H3 A2G 7 H3 A2G 7 -14.581 3.748 -33.222 39 HO4 A2G 7 HO4 A2G 7 -12.826 2.897 -30.026 40 1H6 A2G 7 1H6 A2G 7 -12.967 0.069 -30.856 41 2H6 A2G 7 2H6 A2G 7 -14.432 -0.243 -29.967 42 HN2 A2G 7 HN2 A2G 7 -16.889 4.794 -32.733 43 1H8 A2G 7 1H8 A2G 7 -17.541 6.748 -33.294 44 2H8 A2G 7 2H8 A2G 7 -17.909 7.699 -31.845 45 3H8 A2G 7 3H8 A2G 7 -16.524 8.132 -32.856 46 H2 A2G 10 H2 A2G 10 -24.637 5.940 -29.977 47 H4 A2G 10 H4 A2G 10 -26.016 3.008 -32.430 48 H5 A2G 10 H5 A2G 10 -24.776 4.499 -33.765 49 H1 A2G 10 H1 A2G 10 -23.424 7.029 -31.822 50 H3 A2G 10 H3 A2G 10 -24.084 3.203 -31.192 51 HO4 A2G 10 HO4 A2G 10 -27.266 5.183 -30.965 52 1H6 A2G 10 1H6 A2G 10 -27.558 4.519 -33.957 53 2H6 A2G 10 2H6 A2G 10 -27.175 6.234 -33.920 54 HN2 A2G 10 HN2 A2G 10 -22.075 4.606 -30.595 55 1H8 A2G 10 1H8 A2G 10 -20.560 6.110 -28.296 56 2H8 A2G 10 2H8 A2G 10 -21.188 4.758 -27.330 57 3H8 A2G 10 3H8 A2G 10 -20.664 4.483 -29.002 58 H2 A2G 13 H2 A2G 13 -23.539 12.294 -33.052 59 H4 A2G 13 H4 A2G 13 -21.414 10.883 -36.259 60 H5 A2G 13 H5 A2G 13 -20.088 10.611 -34.289 61 H1 A2G 13 H1 A2G 13 -21.655 11.976 -31.527 62 H3 A2G 13 H3 A2G 13 -22.787 9.879 -34.718 63 HO4 A2G 13 HO4 A2G 13 -22.211 13.536 -35.364 64 1H6 A2G 13 1H6 A2G 13 -19.448 12.707 -36.186 65 2H6 A2G 13 2H6 A2G 13 -18.851 13.169 -34.602 66 HN2 A2G 13 HN2 A2G 13 -23.256 9.470 -32.259 67 1H8 A2G 13 1H8 A2G 13 -26.396 9.708 -30.738 68 2H8 A2G 13 2H8 A2G 13 -26.069 8.694 -32.154 69 3H8 A2G 13 3H8 A2G 13 -24.867 8.818 -30.857 Start of MODEL 34 1 1H ACE 0 1H ACE 0 11.983 17.563 -7.355 2 2H ACE 0 2H ACE 0 11.785 18.984 -6.324 3 3H ACE 0 3H ACE 0 12.629 17.558 -5.711 4 H SER 1 H SER 1 12.735 19.514 -8.634 5 HA SER 1 HA SER 1 15.614 19.371 -8.784 6 1HB SER 1 1HB SER 1 15.385 20.572 -10.869 7 2HB SER 1 2HB SER 1 14.132 19.331 -10.804 8 H THR 2 H THR 2 16.761 21.519 -9.388 9 HA THR 2 HA THR 2 16.274 23.370 -7.179 10 HB THR 2 HB THR 2 18.577 24.263 -7.994 11 1HG2 THR 2 1HG2 THR 2 18.064 22.702 -5.981 12 2HG2 THR 2 2HG2 THR 2 18.778 21.458 -7.007 13 3HG2 THR 2 3HG2 THR 2 19.721 22.879 -6.559 14 H THR 3 H THR 3 17.442 25.649 -8.020 15 HA THR 3 HA THR 3 15.577 26.630 -10.052 16 HB THR 3 HB THR 3 16.266 28.878 -9.024 17 1HG2 THR 3 1HG2 THR 3 14.157 27.775 -8.403 18 2HG2 THR 3 2HG2 THR 3 15.020 26.882 -7.148 19 3HG2 THR 3 3HG2 THR 3 14.890 28.639 -7.049 20 H ALA 4 H ALA 4 16.552 28.675 -11.183 21 HA ALA 4 HA ALA 4 19.359 28.500 -11.774 22 1HB ALA 4 1HB ALA 4 17.997 26.809 -13.235 23 2HB ALA 4 2HB ALA 4 17.541 28.248 -14.143 24 3HB ALA 4 3HB ALA 4 19.241 27.804 -13.984 25 H VAL 5 H VAL 5 18.759 29.885 -14.405 26 HA VAL 5 HA VAL 5 18.454 32.556 -13.282 27 HB VAL 5 HB VAL 5 19.181 31.759 -16.114 28 1HG1 VAL 5 1HG1 VAL 5 18.352 33.985 -16.111 29 2HG1 VAL 5 2HG1 VAL 5 19.264 34.393 -14.657 30 3HG1 VAL 5 3HG1 VAL 5 20.110 34.095 -16.176 31 1HG2 VAL 5 1HG2 VAL 5 20.942 32.490 -13.768 32 2HG2 VAL 5 2HG2 VAL 5 20.867 30.931 -14.589 33 3HG2 VAL 5 3HG2 VAL 5 21.503 32.344 -15.432 34 H2 A2G 7 H2 A2G 7 12.222 23.263 -12.818 35 H4 A2G 7 H4 A2G 7 9.818 20.014 -12.054 36 H5 A2G 7 H5 A2G 7 12.026 19.642 -11.110 37 H1 A2G 7 H1 A2G 7 14.209 22.092 -12.240 38 H3 A2G 7 H3 A2G 7 10.387 21.907 -10.858 39 HO4 A2G 7 HO4 A2G 7 11.137 21.004 -14.456 40 1H6 A2G 7 1H6 A2G 7 12.156 17.596 -12.070 41 2H6 A2G 7 2H6 A2G 7 10.986 18.116 -13.268 42 HN2 A2G 7 HN2 A2G 7 12.423 23.123 -9.881 43 1H8 A2G 7 1H8 A2G 7 12.638 24.964 -8.866 44 2H8 A2G 7 2H8 A2G 7 13.075 26.407 -9.799 45 3H8 A2G 7 3H8 A2G 7 11.377 26.091 -9.402 46 H2 A2G 10 H2 A2G 10 20.546 23.688 -11.776 47 H4 A2G 10 H4 A2G 10 21.081 19.863 -10.490 48 H5 A2G 10 H5 A2G 10 20.341 21.110 -8.617 49 H1 A2G 10 H1 A2G 10 19.716 24.406 -9.577 50 H3 A2G 10 H3 A2G 10 19.293 20.936 -11.455 51 HO4 A2G 10 HO4 A2G 10 22.926 22.003 -11.170 52 1H6 A2G 10 1H6 A2G 10 22.330 21.445 -7.274 53 2H6 A2G 10 2H6 A2G 10 22.695 20.134 -8.387 54 HN2 A2G 10 HN2 A2G 10 17.743 22.804 -11.414 55 1H8 A2G 10 1H8 A2G 10 16.589 25.576 -12.738 56 2H8 A2G 10 2H8 A2G 10 16.798 24.434 -14.079 57 3H8 A2G 10 3H8 A2G 10 16.268 23.850 -12.492 58 H2 A2G 13 H2 A2G 13 20.065 29.762 -7.094 59 H4 A2G 13 H4 A2G 13 18.137 28.261 -3.793 60 H5 A2G 13 H5 A2G 13 16.589 28.384 -5.548 61 H1 A2G 13 H1 A2G 13 18.023 29.673 -8.411 62 H3 A2G 13 H3 A2G 13 19.373 27.316 -5.468 63 HO4 A2G 13 HO4 A2G 13 19.406 30.800 -4.356 64 1H6 A2G 13 1H6 A2G 13 16.489 31.125 -4.195 65 2H6 A2G 13 2H6 A2G 13 15.169 30.351 -5.044 66 HN2 A2G 13 HN2 A2G 13 19.478 27.008 -7.967 67 1H8 A2G 13 1H8 A2G 13 22.782 26.781 -9.167 68 2H8 A2G 13 2H8 A2G 13 21.326 25.886 -8.696 69 3H8 A2G 13 3H8 A2G 13 21.311 26.902 -10.150 Start of MODEL 35 1 1H ACE 0 1H ACE 0 44.950 14.335 4.421 2 2H ACE 0 2H ACE 0 43.479 13.833 5.260 3 3H ACE 0 3H ACE 0 44.963 14.119 6.174 4 H SER 1 H SER 1 45.924 16.314 5.737 5 HA SER 1 HA SER 1 43.956 18.298 6.468 6 1HB SER 1 1HB SER 1 45.802 19.701 7.029 7 2HB SER 1 2HB SER 1 46.283 18.073 7.509 8 H THR 2 H THR 2 43.766 20.374 5.382 9 HA THR 2 HA THR 2 43.992 20.049 2.486 10 HB THR 2 HB THR 2 42.478 22.140 2.521 11 1HG2 THR 2 1HG2 THR 2 41.457 19.603 3.755 12 2HG2 THR 2 2HG2 THR 2 40.473 20.884 3.046 13 3HG2 THR 2 3HG2 THR 2 41.575 19.956 2.031 14 H THR 3 H THR 3 43.864 22.938 1.960 15 HA THR 3 HA THR 3 46.700 23.524 2.277 16 HB THR 3 HB THR 3 45.978 25.332 0.514 17 1HG2 THR 3 1HG2 THR 3 45.746 22.557 -0.539 18 2HG2 THR 3 2HG2 THR 3 46.592 23.950 -1.216 19 3HG2 THR 3 3HG2 THR 3 47.271 23.095 0.170 20 H ALA 4 H ALA 4 47.429 25.389 3.194 21 HA ALA 4 HA ALA 4 45.562 26.767 4.893 22 1HB ALA 4 1HB ALA 4 48.536 27.193 4.681 23 2HB ALA 4 2HB ALA 4 47.464 27.746 5.967 24 3HB ALA 4 3HB ALA 4 47.766 26.022 5.749 25 H VAL 5 H VAL 5 44.383 28.104 3.736 26 HA VAL 5 HA VAL 5 45.662 30.510 2.721 27 HB VAL 5 HB VAL 5 44.283 30.507 0.630 28 1HG1 VAL 5 1HG1 VAL 5 46.702 29.857 0.724 29 2HG1 VAL 5 2HG1 VAL 5 46.181 28.172 0.738 30 3HG1 VAL 5 3HG1 VAL 5 45.805 29.201 -0.644 31 1HG2 VAL 5 1HG2 VAL 5 42.589 28.899 1.196 32 2HG2 VAL 5 2HG2 VAL 5 43.492 28.286 -0.189 33 3HG2 VAL 5 3HG2 VAL 5 43.796 27.634 1.422 34 H2 A2G 7 H2 A2G 7 50.404 19.503 5.974 35 H4 A2G 7 H4 A2G 7 49.761 15.693 4.655 36 H5 A2G 7 H5 A2G 7 47.713 16.608 5.588 37 H1 A2G 7 H1 A2G 7 48.399 19.563 7.290 38 H3 A2G 7 H3 A2G 7 49.269 17.766 3.784 39 HO4 A2G 7 HO4 A2G 7 51.107 16.769 7.000 40 1H6 A2G 7 1H6 A2G 7 48.443 15.285 8.077 41 2H6 A2G 7 2H6 A2G 7 47.378 14.725 6.802 42 HN2 A2G 7 HN2 A2G 7 48.109 19.992 4.185 43 1H8 A2G 7 1H8 A2G 7 48.569 22.831 3.799 44 2H8 A2G 7 2H8 A2G 7 49.907 22.589 2.662 45 3H8 A2G 7 3H8 A2G 7 48.484 21.535 2.592 46 H2 A2G 10 H2 A2G 10 41.898 25.095 5.620 47 H4 A2G 10 H4 A2G 10 39.491 22.254 7.287 48 H5 A2G 10 H5 A2G 10 40.237 21.449 5.181 49 H1 A2G 10 H1 A2G 10 42.198 23.797 3.575 50 H3 A2G 10 H3 A2G 10 41.763 22.594 7.334 51 HO4 A2G 10 HO4 A2G 10 39.026 24.892 6.159 52 1H6 A2G 10 1H6 A2G 10 37.603 22.013 5.556 53 2H6 A2G 10 2H6 A2G 10 37.889 22.942 4.086 54 HN2 A2G 10 HN2 A2G 10 43.852 22.913 6.015 55 1H8 A2G 10 1H8 A2G 10 46.211 25.406 6.959 56 2H8 A2G 10 2H8 A2G 10 45.716 23.740 7.305 57 3H8 A2G 10 3H8 A2G 10 46.168 24.205 5.654 58 H2 A2G 13 H2 A2G 13 42.027 26.575 -0.733 59 H4 A2G 13 H4 A2G 13 41.696 22.894 -2.501 60 H5 A2G 13 H5 A2G 13 43.904 23.111 -1.611 61 H1 A2G 13 H1 A2G 13 44.393 26.272 -0.282 62 H3 A2G 13 H3 A2G 13 41.377 23.640 -0.357 63 HO4 A2G 13 HO4 A2G 13 41.725 25.613 -3.495 64 1H6 A2G 13 1H6 A2G 13 44.231 24.292 -4.399 65 2H6 A2G 13 2H6 A2G 13 45.277 23.175 -3.581 66 HN2 A2G 13 HN2 A2G 13 42.444 24.858 1.626 67 1H8 A2G 13 1H8 A2G 13 42.001 26.260 3.577 68 2H8 A2G 13 2H8 A2G 13 40.529 27.242 3.470 69 3H8 A2G 13 3H8 A2G 13 40.439 25.485 3.267 Start of MODEL 36 1 1H ACE 0 1H ACE 0 19.639 1.817 -8.217 2 2H ACE 0 2H ACE 0 20.464 2.299 -9.703 3 3H ACE 0 3H ACE 0 18.699 2.300 -9.632 4 H SER 1 H SER 1 21.369 3.509 -7.686 5 HA SER 1 HA SER 1 20.595 6.272 -8.030 6 1HB SER 1 1HB SER 1 20.522 6.488 -5.409 7 2HB SER 1 2HB SER 1 19.075 5.975 -6.280 8 H THR 2 H THR 2 22.226 7.718 -7.443 9 HA THR 2 HA THR 2 24.828 6.465 -6.964 10 HB THR 2 HB THR 2 25.656 8.818 -7.543 11 1HG2 THR 2 1HG2 THR 2 24.302 8.256 -9.972 12 2HG2 THR 2 2HG2 THR 2 25.996 7.994 -9.553 13 3HG2 THR 2 3HG2 THR 2 24.803 6.735 -9.231 14 H THR 3 H THR 3 26.298 8.456 -5.895 15 HA THR 3 HA THR 3 25.244 8.649 -3.168 16 HB THR 3 HB THR 3 27.689 9.152 -2.669 17 1HG2 THR 3 1HG2 THR 3 28.355 6.952 -2.615 18 2HG2 THR 3 2HG2 THR 3 26.602 6.781 -2.706 19 3HG2 THR 3 3HG2 THR 3 27.587 6.573 -4.157 20 H ALA 4 H ALA 4 26.321 10.662 -2.023 21 HA ALA 4 HA ALA 4 26.474 13.017 -3.677 22 1HB ALA 4 1HB ALA 4 24.560 13.559 -1.564 23 2HB ALA 4 2HB ALA 4 24.455 13.897 -3.292 24 3HB ALA 4 3HB ALA 4 23.976 12.318 -2.670 25 H VAL 5 H VAL 5 28.219 13.992 -2.909 26 HA VAL 5 HA VAL 5 28.939 13.725 -0.096 27 HB VAL 5 HB VAL 5 31.065 14.855 -0.763 28 1HG1 VAL 5 1HG1 VAL 5 30.840 12.403 -0.739 29 2HG1 VAL 5 2HG1 VAL 5 30.381 12.445 -2.442 30 3HG1 VAL 5 3HG1 VAL 5 31.993 12.964 -1.949 31 1HG2 VAL 5 1HG2 VAL 5 31.579 15.203 -3.107 32 2HG2 VAL 5 2HG2 VAL 5 29.986 14.611 -3.578 33 3HG2 VAL 5 3HG2 VAL 5 30.137 16.123 -2.684 34 H2 A2G 7 H2 A2G 7 20.645 4.333 -2.025 35 H4 A2G 7 H4 A2G 7 19.363 0.838 -3.694 36 H5 A2G 7 H5 A2G 7 18.838 2.644 -5.205 37 H1 A2G 7 H1 A2G 7 19.580 5.704 -3.703 38 H3 A2G 7 H3 A2G 7 21.297 2.061 -3.910 39 HO4 A2G 7 HO4 A2G 7 18.325 2.486 -1.537 40 1H6 A2G 7 1H6 A2G 7 16.379 2.847 -4.959 41 2H6 A2G 7 2H6 A2G 7 16.899 1.195 -4.670 42 HN2 A2G 7 HN2 A2G 7 22.280 4.361 -4.477 43 1H8 A2G 7 1H8 A2G 7 25.044 4.520 -2.958 44 2H8 A2G 7 2H8 A2G 7 24.187 5.284 -4.308 45 3H8 A2G 7 3H8 A2G 7 24.576 6.227 -2.858 46 H2 A2G 10 H2 A2G 10 23.809 12.641 -7.225 47 H4 A2G 10 H4 A2G 10 21.598 11.658 -10.519 48 H5 A2G 10 H5 A2G 10 23.157 9.899 -10.098 49 H1 A2G 10 H1 A2G 10 25.267 10.717 -7.473 50 H3 A2G 10 H3 A2G 10 21.383 11.157 -8.274 51 HO4 A2G 10 HO4 A2G 10 23.632 13.659 -9.936 52 1H6 A2G 10 1H6 A2G 10 23.760 11.841 -12.248 53 2H6 A2G 10 2H6 A2G 10 25.152 10.871 -11.791 54 HN2 A2G 10 HN2 A2G 10 22.458 10.210 -6.241 55 1H8 A2G 10 1H8 A2G 10 21.554 10.427 -4.229 56 2H8 A2G 10 2H8 A2G 10 23.112 10.619 -3.398 57 3H8 A2G 10 3H8 A2G 10 21.856 11.861 -3.230 58 H2 A2G 13 H2 A2G 13 30.444 11.242 -5.238 59 H4 A2G 13 H4 A2G 13 31.162 7.519 -6.801 60 H5 A2G 13 H5 A2G 13 29.685 7.269 -4.972 61 H1 A2G 13 H1 A2G 13 29.078 10.325 -3.463 62 H3 A2G 13 H3 A2G 13 29.645 9.159 -7.267 63 HO4 A2G 13 HO4 A2G 13 32.812 9.394 -5.322 64 1H6 A2G 13 1H6 A2G 13 32.265 6.308 -4.787 65 2H6 A2G 13 2H6 A2G 13 32.113 7.157 -3.254 66 HN2 A2G 13 HN2 A2G 13 27.772 10.517 -6.266 67 1H8 A2G 13 1H8 A2G 13 27.507 13.805 -7.555 68 2H8 A2G 13 2H8 A2G 13 26.911 12.141 -7.682 69 3H8 A2G 13 3H8 A2G 13 26.602 13.084 -6.212 Start of MODEL 37 1 1H ACE 0 1H ACE 0 61.315 16.836 -10.295 2 2H ACE 0 2H ACE 0 61.082 17.837 -11.732 3 3H ACE 0 3H ACE 0 59.740 16.881 -11.094 4 H SER 1 H SER 1 59.074 19.270 -11.478 5 HA SER 1 HA SER 1 59.628 21.067 -9.290 6 1HB SER 1 1HB SER 1 58.204 22.626 -10.421 7 2HB SER 1 2HB SER 1 59.137 21.798 -11.670 8 H THR 2 H THR 2 57.715 22.156 -8.216 9 HA THR 2 HA THR 2 56.011 20.085 -7.049 10 HB THR 2 HB THR 2 55.590 22.098 -5.395 11 1HG2 THR 2 1HG2 THR 2 57.362 21.465 -4.032 12 2HG2 THR 2 2HG2 THR 2 57.003 20.023 -4.981 13 3HG2 THR 2 3HG2 THR 2 58.383 21.036 -5.405 14 H THR 3 H THR 3 54.041 22.111 -6.090 15 HA THR 3 HA THR 3 52.496 22.322 -8.553 16 HB THR 3 HB THR 3 50.644 22.822 -6.797 17 1HG2 THR 3 1HG2 THR 3 51.050 20.623 -8.062 18 2HG2 THR 3 2HG2 THR 3 51.771 20.064 -6.551 19 3HG2 THR 3 3HG2 THR 3 50.083 20.577 -6.586 20 H ALA 4 H ALA 4 51.721 24.234 -9.294 21 HA ALA 4 HA ALA 4 52.937 26.611 -8.217 22 1HB ALA 4 1HB ALA 4 51.258 26.227 -10.690 23 2HB ALA 4 2HB ALA 4 52.039 27.734 -10.210 24 3HB ALA 4 3HB ALA 4 53.016 26.323 -10.612 25 H VAL 5 H VAL 5 51.945 27.211 -6.446 26 HA VAL 5 HA VAL 5 49.265 28.318 -6.684 27 HB VAL 5 HB VAL 5 48.473 27.322 -4.574 28 1HG1 VAL 5 1HG1 VAL 5 47.948 26.289 -6.773 29 2HG1 VAL 5 2HG1 VAL 5 49.291 25.173 -6.522 30 3HG1 VAL 5 3HG1 VAL 5 47.911 25.157 -5.423 31 1HG2 VAL 5 1HG2 VAL 5 49.694 25.302 -3.702 32 2HG2 VAL 5 2HG2 VAL 5 51.055 25.767 -4.723 33 3HG2 VAL 5 3HG2 VAL 5 50.513 26.838 -3.431 34 H2 A2G 7 H2 A2G 7 54.869 22.163 -13.696 35 H4 A2G 7 H4 A2G 7 57.747 19.721 -15.387 36 H5 A2G 7 H5 A2G 7 58.454 20.504 -13.196 37 H1 A2G 7 H1 A2G 7 56.391 23.052 -12.100 38 H3 A2G 7 H3 A2G 7 56.016 19.385 -13.887 39 HO4 A2G 7 HO4 A2G 7 56.788 22.412 -15.959 40 1H6 A2G 7 1H6 A2G 7 60.390 20.693 -14.380 41 2H6 A2G 7 2H6 A2G 7 59.684 21.656 -15.660 42 HN2 A2G 7 HN2 A2G 7 55.244 20.143 -11.580 43 1H8 A2G 7 1H8 A2G 7 53.549 19.541 -10.508 44 2H8 A2G 7 2H8 A2G 7 52.316 20.804 -10.338 45 3H8 A2G 7 3H8 A2G 7 52.043 19.441 -11.440 46 H2 A2G 10 H2 A2G 10 56.420 26.266 -6.141 47 H4 A2G 10 H4 A2G 10 60.298 25.252 -5.215 48 H5 A2G 10 H5 A2G 10 58.899 23.329 -4.987 49 H1 A2G 10 H1 A2G 10 55.591 24.085 -5.451 50 H3 A2G 10 H3 A2G 10 59.061 25.149 -7.156 51 HO4 A2G 10 HO4 A2G 10 58.280 26.949 -3.987 52 1H6 A2G 10 1H6 A2G 10 59.086 24.702 -2.265 53 2H6 A2G 10 2H6 A2G 10 58.765 23.001 -2.533 54 HN2 A2G 10 HN2 A2G 10 57.097 24.303 -8.255 55 1H8 A2G 10 1H8 A2G 10 56.242 24.656 -10.172 56 2H8 A2G 10 2H8 A2G 10 54.496 24.726 -9.869 57 3H8 A2G 10 3H8 A2G 10 55.343 26.147 -10.510 58 H2 A2G 13 H2 A2G 13 51.044 23.941 -2.607 59 H4 A2G 13 H4 A2G 13 51.883 19.957 -2.118 60 H5 A2G 13 H5 A2G 13 51.257 20.277 -4.374 61 H1 A2G 13 H1 A2G 13 50.462 23.611 -4.944 62 H3 A2G 13 H3 A2G 13 53.155 21.796 -2.573 63 HO4 A2G 13 HO4 A2G 13 49.680 21.620 -1.210 64 1H6 A2G 13 1H6 A2G 13 48.430 20.021 -3.581 65 2H6 A2G 13 2H6 A2G 13 49.469 18.857 -4.392 66 HN2 A2G 13 HN2 A2G 13 53.462 23.647 -4.269 67 1H8 A2G 13 1H8 A2G 13 55.250 25.356 -3.093 68 2H8 A2G 13 2H8 A2G 13 54.413 25.806 -4.590 69 3H8 A2G 13 3H8 A2G 13 54.400 26.908 -3.202 Start of MODEL 38 1 1H ACE 0 1H ACE 0 9.130 -22.710 -41.415 2 2H ACE 0 2H ACE 0 10.033 -21.726 -42.571 3 3H ACE 0 3H ACE 0 10.875 -22.925 -41.585 4 H SER 1 H SER 1 7.996 -22.825 -43.605 5 HA SER 1 HA SER 1 8.458 -25.479 -44.644 6 1HB SER 1 1HB SER 1 6.341 -25.243 -45.738 7 2HB SER 1 2HB SER 1 6.170 -24.495 -44.149 8 H THR 2 H THR 2 8.707 -26.009 -46.862 9 HA THR 2 HA THR 2 10.271 -24.020 -48.339 10 HB THR 2 HB THR 2 10.798 -26.034 -49.810 11 1HG2 THR 2 1HG2 THR 2 11.830 -27.079 -47.378 12 2HG2 THR 2 2HG2 THR 2 12.665 -26.167 -48.638 13 3HG2 THR 2 3HG2 THR 2 11.884 -25.316 -47.305 14 H THR 3 H THR 3 10.059 -24.754 -50.892 15 HA THR 3 HA THR 3 7.261 -24.165 -51.561 16 HB THR 3 HB THR 3 8.349 -23.420 -53.758 17 1HG2 THR 3 1HG2 THR 3 9.271 -22.017 -51.264 18 2HG2 THR 3 2HG2 THR 3 9.144 -21.314 -52.880 19 3HG2 THR 3 3HG2 THR 3 7.688 -21.810 -52.017 20 H ALA 4 H ALA 4 6.327 -25.236 -53.415 21 HA ALA 4 HA ALA 4 7.198 -27.977 -53.601 22 1HB ALA 4 1HB ALA 4 4.780 -27.202 -53.338 23 2HB ALA 4 2HB ALA 4 4.854 -26.748 -55.041 24 3HB ALA 4 3HB ALA 4 5.087 -28.431 -54.564 25 H VAL 5 H VAL 5 5.930 -28.036 -56.380 26 HA VAL 5 HA VAL 5 8.421 -27.576 -57.819 27 HB VAL 5 HB VAL 5 5.870 -28.868 -58.820 28 1HG1 VAL 5 1HG1 VAL 5 8.666 -28.744 -59.935 29 2HG1 VAL 5 2HG1 VAL 5 7.439 -29.879 -60.500 30 3HG1 VAL 5 3HG1 VAL 5 7.180 -28.143 -60.667 31 1HG2 VAL 5 1HG2 VAL 5 7.069 -31.009 -58.455 32 2HG2 VAL 5 2HG2 VAL 5 8.365 -30.118 -57.656 33 3HG2 VAL 5 3HG2 VAL 5 6.748 -30.144 -56.954 34 H2 A2G 7 H2 A2G 7 3.673 -21.730 -47.112 35 H4 A2G 7 H4 A2G 7 4.916 -19.958 -43.648 36 H5 A2G 7 H5 A2G 7 5.844 -22.182 -43.732 37 H1 A2G 7 H1 A2G 7 4.519 -23.894 -46.488 38 H3 A2G 7 H3 A2G 7 5.860 -20.167 -45.732 39 HO4 A2G 7 HO4 A2G 7 2.375 -21.095 -44.479 40 1H6 A2G 7 1H6 A2G 7 4.550 -23.349 -41.997 41 2H6 A2G 7 2H6 A2G 7 4.542 -21.628 -41.648 42 HN2 A2G 7 HN2 A2G 7 6.587 -21.823 -47.543 43 1H8 A2G 7 1H8 A2G 7 6.988 -22.093 -49.849 44 2H8 A2G 7 2H8 A2G 7 5.913 -21.255 -50.982 45 3H8 A2G 7 3H8 A2G 7 6.897 -20.322 -49.840 46 H2 A2G 10 H2 A2G 10 8.552 -29.585 -50.573 47 H4 A2G 10 H4 A2G 10 9.737 -30.906 -46.874 48 H5 A2G 10 H5 A2G 10 10.824 -28.842 -47.344 49 H1 A2G 10 H1 A2G 10 10.115 -27.725 -50.525 50 H3 A2G 10 H3 A2G 10 8.071 -29.478 -47.573 51 HO4 A2G 10 HO4 A2G 10 10.082 -31.856 -49.597 52 1H6 A2G 10 1H6 A2G 10 12.594 -31.170 -48.226 53 2H6 A2G 10 2H6 A2G 10 13.189 -29.556 -47.902 54 HN2 A2G 10 HN2 A2G 10 7.468 -27.472 -48.813 55 1H8 A2G 10 1H8 A2G 10 5.794 -26.138 -50.926 56 2H8 A2G 10 2H8 A2G 10 4.596 -27.428 -50.721 57 3H8 A2G 10 3H8 A2G 10 5.467 -26.796 -49.312 58 H2 A2G 13 H2 A2G 13 12.246 -24.472 -55.453 59 H4 A2G 13 H4 A2G 13 13.528 -21.624 -52.778 60 H5 A2G 13 H5 A2G 13 11.169 -21.695 -52.678 61 H1 A2G 13 H1 A2G 13 9.927 -23.986 -54.972 62 H3 A2G 13 H3 A2G 13 13.241 -23.874 -52.671 63 HO4 A2G 13 HO4 A2G 13 13.404 -21.638 -55.688 64 1H6 A2G 13 1H6 A2G 13 10.620 -19.565 -53.403 65 2H6 A2G 13 2H6 A2G 13 12.360 -19.464 -53.613 66 HN2 A2G 13 HN2 A2G 13 11.799 -25.648 -52.787 67 1H8 A2G 13 1H8 A2G 13 11.632 -27.744 -52.678 68 2H8 A2G 13 2H8 A2G 13 10.550 -28.387 -53.927 69 3H8 A2G 13 3H8 A2G 13 12.295 -28.683 -54.028 Start of MODEL 39 1 1H ACE 0 1H ACE 0 36.588 -19.274 9.417 2 2H ACE 0 2H ACE 0 35.549 -19.885 8.126 3 3H ACE 0 3H ACE 0 34.885 -19.609 9.739 4 H SER 1 H SER 1 33.689 -18.583 7.588 5 HA SER 1 HA SER 1 34.475 -15.847 7.109 6 1HB SER 1 1HB SER 1 32.624 -15.749 5.606 7 2HB SER 1 2HB SER 1 33.290 -17.375 5.434 8 H THR 2 H THR 2 33.060 -14.005 7.527 9 HA THR 2 HA THR 2 31.782 -14.257 10.148 10 HB THR 2 HB THR 2 31.770 -11.682 9.965 11 1HG2 THR 2 1HG2 THR 2 34.018 -11.425 10.651 12 2HG2 THR 2 2HG2 THR 2 33.419 -12.949 11.302 13 3HG2 THR 2 3HG2 THR 2 34.483 -12.950 9.895 14 H THR 3 H THR 3 30.074 -11.940 9.836 15 HA THR 3 HA THR 3 27.908 -13.171 8.312 16 HB THR 3 HB THR 3 26.591 -11.366 9.652 17 1HG2 THR 3 1HG2 THR 3 26.875 -13.906 10.194 18 2HG2 THR 3 2HG2 THR 3 27.891 -13.295 11.500 19 3HG2 THR 3 3HG2 THR 3 26.202 -12.802 11.394 20 H ALA 4 H ALA 4 26.621 -11.893 6.888 21 HA ALA 4 HA ALA 4 28.150 -9.845 5.570 22 1HB ALA 4 1HB ALA 4 26.862 -11.717 4.407 23 2HB ALA 4 2HB ALA 4 25.403 -10.799 4.783 24 3HB ALA 4 3HB ALA 4 26.652 -10.092 3.757 25 H VAL 5 H VAL 5 25.502 -8.658 4.631 26 HA VAL 5 HA VAL 5 25.362 -6.632 6.719 27 HB VAL 5 HB VAL 5 23.974 -5.358 5.065 28 1HG1 VAL 5 1HG1 VAL 5 26.667 -6.259 4.049 29 2HG1 VAL 5 2HG1 VAL 5 25.830 -4.768 3.617 30 3HG1 VAL 5 3HG1 VAL 5 26.392 -5.018 5.270 31 1HG2 VAL 5 1HG2 VAL 5 23.143 -7.352 3.819 32 2HG2 VAL 5 2HG2 VAL 5 23.826 -6.107 2.773 33 3HG2 VAL 5 3HG2 VAL 5 24.758 -7.558 3.143 34 H2 A2G 7 H2 A2G 7 28.606 -18.152 5.220 35 H4 A2G 7 H4 A2G 7 31.073 -21.386 5.916 36 H5 A2G 7 H5 A2G 7 32.310 -19.316 6.083 37 H1 A2G 7 H1 A2G 7 30.447 -16.688 4.816 38 H3 A2G 7 H3 A2G 7 29.925 -19.911 7.277 39 HO4 A2G 7 HO4 A2G 7 29.690 -20.350 3.577 40 1H6 A2G 7 1H6 A2G 7 32.654 -20.690 3.374 41 2H6 A2G 7 2H6 A2G 7 33.795 -19.544 4.046 42 HN2 A2G 7 HN2 A2G 7 29.756 -17.462 7.845 43 1H8 A2G 7 1H8 A2G 7 26.495 -16.321 8.779 44 2H8 A2G 7 2H8 A2G 7 27.862 -17.213 9.472 45 3H8 A2G 7 3H8 A2G 7 28.125 -15.629 8.723 46 H2 A2G 10 H2 A2G 10 31.849 -9.151 6.482 47 H4 A2G 10 H4 A2G 10 35.839 -9.888 6.529 48 H5 A2G 10 H5 A2G 10 34.929 -10.854 8.498 49 H1 A2G 10 H1 A2G 10 31.502 -10.277 8.628 50 H3 A2G 10 H3 A2G 10 34.060 -11.071 5.708 51 HO4 A2G 10 HO4 A2G 10 34.252 -7.497 6.973 52 1H6 A2G 10 1H6 A2G 10 35.151 -8.263 9.862 53 2H6 A2G 10 2H6 A2G 10 36.193 -9.666 9.976 54 HN2 A2G 10 HN2 A2G 10 31.820 -12.091 6.183 55 1H8 A2G 10 1H8 A2G 10 30.574 -12.676 4.178 56 2H8 A2G 10 2H8 A2G 10 29.308 -12.522 5.409 57 3H8 A2G 10 3H8 A2G 10 29.148 -11.670 3.862 58 H2 A2G 13 H2 A2G 13 28.007 -7.865 11.761 59 H4 A2G 13 H4 A2G 13 29.762 -10.488 14.392 60 H5 A2G 13 H5 A2G 13 28.447 -11.724 12.828 61 H1 A2G 13 H1 A2G 13 26.735 -9.641 10.684 62 H3 A2G 13 H3 A2G 13 30.381 -9.654 12.345 63 HO4 A2G 13 HO4 A2G 13 27.634 -8.524 14.641 64 1H6 A2G 13 1H6 A2G 13 27.763 -11.701 15.471 65 2H6 A2G 13 2H6 A2G 13 26.210 -11.284 14.747 66 HN2 A2G 13 HN2 A2G 13 29.975 -9.320 10.110 67 1H8 A2G 13 1H8 A2G 13 30.362 -6.518 8.220 68 2H8 A2G 13 2H8 A2G 13 30.761 -8.229 8.442 69 3H8 A2G 13 3H8 A2G 13 29.360 -7.767 7.459 Start of MODEL 40 1 1H ACE 0 1H ACE 0 10.311 9.687 -8.551 2 2H ACE 0 2H ACE 0 10.460 8.378 -7.374 3 3H ACE 0 3H ACE 0 8.887 8.751 -8.086 4 H SER 1 H SER 1 11.977 8.669 -9.686 5 HA SER 1 HA SER 1 11.003 6.857 -11.716 6 1HB SER 1 1HB SER 1 13.179 7.246 -12.786 7 2HB SER 1 2HB SER 1 12.466 8.781 -12.281 8 H THR 2 H THR 2 12.227 4.930 -12.377 9 HA THR 2 HA THR 2 13.062 3.395 -10.026 10 HB THR 2 HB THR 2 12.892 1.476 -11.773 11 1HG2 THR 2 1HG2 THR 2 10.406 3.008 -11.094 12 2HG2 THR 2 2HG2 THR 2 10.490 1.330 -11.632 13 3HG2 THR 2 3HG2 THR 2 11.188 1.794 -10.080 14 H THR 3 H THR 3 14.587 1.443 -11.612 15 HA THR 3 HA THR 3 17.097 2.917 -11.799 16 HB THR 3 HB THR 3 17.966 0.458 -11.890 17 1HG2 THR 3 1HG2 THR 3 18.057 0.273 -9.535 18 2HG2 THR 3 2HG2 THR 3 18.108 1.998 -9.899 19 3HG2 THR 3 3HG2 THR 3 16.609 1.260 -9.332 20 H ALA 4 H ALA 4 18.332 2.924 -13.633 21 HA ALA 4 HA ALA 4 16.976 2.196 -16.063 22 1HB ALA 4 1HB ALA 4 18.816 3.344 -17.207 23 2HB ALA 4 2HB ALA 4 18.072 4.363 -15.976 24 3HB ALA 4 3HB ALA 4 19.624 3.586 -15.661 25 H VAL 5 H VAL 5 17.024 0.127 -16.386 26 HA VAL 5 HA VAL 5 19.460 -1.434 -16.052 27 HB VAL 5 HB VAL 5 17.246 -2.312 -15.273 28 1HG1 VAL 5 1HG1 VAL 5 15.617 -3.120 -16.817 29 2HG1 VAL 5 2HG1 VAL 5 15.949 -1.435 -17.220 30 3HG1 VAL 5 3HG1 VAL 5 16.644 -2.730 -18.195 31 1HG2 VAL 5 1HG2 VAL 5 17.679 -4.562 -15.906 32 2HG2 VAL 5 2HG2 VAL 5 18.448 -4.063 -17.413 33 3HG2 VAL 5 3HG2 VAL 5 19.241 -3.746 -15.870 34 H2 A2G 7 H2 A2G 7 17.294 8.480 -11.612 35 H4 A2G 7 H4 A2G 7 15.590 11.559 -9.541 36 H5 A2G 7 H5 A2G 7 13.839 10.321 -10.668 37 H1 A2G 7 H1 A2G 7 15.262 7.937 -12.785 38 H3 A2G 7 H3 A2G 7 15.920 9.334 -9.058 39 HO4 A2G 7 HO4 A2G 7 17.107 11.438 -12.016 40 1H6 A2G 7 1H6 A2G 7 13.945 12.015 -12.952 41 2H6 A2G 7 2H6 A2G 7 13.063 12.297 -11.461 42 HN2 A2G 7 HN2 A2G 7 15.519 6.932 -9.840 43 1H8 A2G 7 1H8 A2G 7 16.214 4.989 -9.307 44 2H8 A2G 7 2H8 A2G 7 17.685 4.329 -10.045 45 3H8 A2G 7 3H8 A2G 7 17.787 5.235 -8.525 46 H2 A2G 10 H2 A2G 10 13.583 2.180 -15.997 47 H4 A2G 10 H4 A2G 10 9.527 2.563 -15.960 48 H5 A2G 10 H5 A2G 10 10.180 1.848 -13.820 49 H1 A2G 10 H1 A2G 10 13.611 1.534 -13.631 50 H3 A2G 10 H3 A2G 10 11.225 4.040 -15.558 51 HO4 A2G 10 HO4 A2G 10 11.358 0.748 -17.294 52 1H6 A2G 10 1H6 A2G 10 8.793 0.108 -15.343 53 2H6 A2G 10 2H6 A2G 10 10.200 -0.898 -15.031 54 HN2 A2G 10 HN2 A2G 10 13.282 4.526 -14.225 55 1H8 A2G 10 1H8 A2G 10 15.818 5.402 -14.079 56 2H8 A2G 10 2H8 A2G 10 16.216 5.849 -15.748 57 3H8 A2G 10 3H8 A2G 10 14.658 6.326 -15.050 58 H2 A2G 13 H2 A2G 13 15.824 -3.268 -12.602 59 H4 A2G 13 H4 A2G 13 14.311 -2.630 -8.848 60 H5 A2G 13 H5 A2G 13 15.935 -0.970 -9.276 61 H1 A2G 13 H1 A2G 13 17.391 -1.422 -12.382 62 H3 A2G 13 H3 A2G 13 13.710 -1.907 -10.929 63 HO4 A2G 13 HO4 A2G 13 15.934 -4.729 -10.013 64 1H6 A2G 13 1H6 A2G 13 17.740 -3.158 -8.201 65 2H6 A2G 13 2H6 A2G 13 17.651 -1.472 -7.743 66 HN2 A2G 13 HN2 A2G 13 14.420 -0.702 -12.958 67 1H8 A2G 13 1H8 A2G 13 13.812 -1.685 -16.288 68 2H8 A2G 13 2H8 A2G 13 12.573 -1.443 -15.044 69 3H8 A2G 13 3H8 A2G 13 13.948 -0.327 -15.155 Start of MODEL 41 1 1H ACE 0 1H ACE 0 -35.213 19.743 -31.754 2 2H ACE 0 2H ACE 0 -36.194 18.440 -31.075 3 3H ACE 0 3H ACE 0 -34.437 18.410 -30.893 4 H SER 1 H SER 1 -35.688 18.056 -28.699 5 HA SER 1 HA SER 1 -36.332 20.501 -27.301 6 1HB SER 1 1HB SER 1 -36.584 18.978 -25.330 7 2HB SER 1 2HB SER 1 -37.543 18.477 -26.721 8 H THR 2 H THR 2 -35.286 20.377 -24.872 9 HA THR 2 HA THR 2 -32.436 20.861 -25.323 10 HB THR 2 HB THR 2 -32.673 21.867 -22.943 11 1HG2 THR 2 1HG2 THR 2 -32.793 23.089 -25.259 12 2HG2 THR 2 2HG2 THR 2 -34.474 23.331 -24.775 13 3HG2 THR 2 3HG2 THR 2 -33.165 23.917 -23.748 14 H THR 3 H THR 3 -31.588 20.548 -22.605 15 HA THR 3 HA THR 3 -31.468 17.630 -22.460 16 HB THR 3 HB THR 3 -29.533 18.153 -20.892 17 1HG2 THR 3 1HG2 THR 3 -29.314 17.794 -23.433 18 2HG2 THR 3 2HG2 THR 3 -29.076 19.542 -23.497 19 3HG2 THR 3 3HG2 THR 3 -27.971 18.536 -22.561 20 H ALA 4 H ALA 4 -31.172 16.832 -20.138 21 HA ALA 4 HA ALA 4 -32.594 18.309 -18.118 22 1HB ALA 4 1HB ALA 4 -33.866 15.825 -17.966 23 2HB ALA 4 2HB ALA 4 -34.584 17.358 -18.454 24 3HB ALA 4 3HB ALA 4 -33.922 16.266 -19.670 25 H VAL 5 H VAL 5 -31.235 18.119 -16.465 26 HA VAL 5 HA VAL 5 -29.686 15.673 -16.101 27 HB VAL 5 HB VAL 5 -28.504 16.952 -14.308 28 1HG1 VAL 5 1HG1 VAL 5 -28.567 18.365 -16.970 29 2HG1 VAL 5 2HG1 VAL 5 -27.240 18.350 -15.808 30 3HG1 VAL 5 3HG1 VAL 5 -27.700 16.866 -16.642 31 1HG2 VAL 5 1HG2 VAL 5 -28.863 19.332 -14.066 32 2HG2 VAL 5 2HG2 VAL 5 -30.113 19.308 -15.310 33 3HG2 VAL 5 3HG2 VAL 5 -30.383 18.491 -13.770 34 H2 A2G 7 H2 A2G 7 -35.248 14.910 -24.182 35 H4 A2G 7 H4 A2G 7 -37.562 13.634 -27.325 36 H5 A2G 7 H5 A2G 7 -37.542 16.064 -27.275 37 H1 A2G 7 H1 A2G 7 -36.064 17.150 -24.302 38 H3 A2G 7 H3 A2G 7 -35.385 14.333 -27.145 39 HO4 A2G 7 HO4 A2G 7 -37.930 13.682 -24.436 40 1H6 A2G 7 1H6 A2G 7 -39.806 16.083 -27.432 41 2H6 A2G 7 2H6 A2G 7 -39.868 14.502 -26.688 42 HN2 A2G 7 HN2 A2G 7 -33.871 16.243 -26.424 43 1H8 A2G 7 1H8 A2G 7 -31.793 16.774 -25.986 44 2H8 A2G 7 2H8 A2G 7 -30.980 16.210 -24.515 45 3H8 A2G 7 3H8 A2G 7 -31.132 15.130 -25.911 46 H2 A2G 10 H2 A2G 10 -35.558 21.172 -19.867 47 H4 A2G 10 H4 A2G 10 -38.079 23.473 -22.085 48 H5 A2G 10 H5 A2G 10 -35.934 23.497 -23.138 49 H1 A2G 10 H1 A2G 10 -33.640 21.690 -21.269 50 H3 A2G 10 H3 A2G 10 -37.506 21.252 -22.182 51 HO4 A2G 10 HO4 A2G 10 -36.786 23.843 -19.511 52 1H6 A2G 10 1H6 A2G 10 -35.241 25.786 -21.389 53 2H6 A2G 10 2H6 A2G 10 -35.583 25.743 -23.104 54 HN2 A2G 10 HN2 A2G 10 -35.612 19.609 -22.372 55 1H8 A2G 10 1H8 A2G 10 -35.937 16.689 -20.461 56 2H8 A2G 10 2H8 A2G 10 -36.056 17.425 -22.069 57 3H8 A2G 10 3H8 A2G 10 -34.464 17.186 -21.318 58 H2 A2G 13 H2 A2G 13 -29.391 21.570 -18.211 59 H4 A2G 13 H4 A2G 13 -27.663 23.402 -21.422 60 H5 A2G 13 H5 A2G 13 -27.874 21.118 -21.934 61 H1 A2G 13 H1 A2G 13 -29.367 19.391 -19.331 62 H3 A2G 13 H3 A2G 13 -29.839 23.066 -20.806 63 HO4 A2G 13 HO4 A2G 13 -26.775 22.860 -18.711 64 1H6 A2G 13 1H6 A2G 13 -25.406 22.123 -21.610 65 2H6 A2G 13 2H6 A2G 13 -25.302 20.841 -20.403 66 HN2 A2G 13 HN2 A2G 13 -31.598 21.609 -20.173 67 1H8 A2G 13 1H8 A2G 13 -33.688 20.348 -18.299 68 2H8 A2G 13 2H8 A2G 13 -33.766 21.921 -17.488 69 3H8 A2G 13 3H8 A2G 13 -33.573 21.842 -19.245 Start of MODEL 42 1 1H ACE 0 1H ACE 0 -11.941 1.376 -10.211 2 2H ACE 0 2H ACE 0 -10.241 1.014 -9.898 3 3H ACE 0 3H ACE 0 -10.810 1.221 -11.558 4 H SER 1 H SER 1 -10.875 3.130 -12.439 5 HA SER 1 HA SER 1 -9.633 5.346 -11.074 6 1HB SER 1 1HB SER 1 -9.817 6.487 -13.277 7 2HB SER 1 2HB SER 1 -9.027 4.916 -13.393 8 H THR 2 H THR 2 -10.672 7.617 -11.664 9 HA THR 2 HA THR 2 -13.353 7.532 -10.501 10 HB THR 2 HB THR 2 -12.887 10.096 -10.355 11 1HG2 THR 2 1HG2 THR 2 -12.255 8.003 -8.630 12 2HG2 THR 2 2HG2 THR 2 -10.840 9.059 -8.658 13 3HG2 THR 2 3HG2 THR 2 -12.425 9.716 -8.245 14 H THR 3 H THR 3 -14.140 10.158 -11.515 15 HA THR 3 HA THR 3 -15.029 9.348 -14.169 16 HB THR 3 HB THR 3 -16.588 11.395 -13.724 17 1HG2 THR 3 1HG2 THR 3 -17.121 8.855 -13.477 18 2HG2 THR 3 2HG2 THR 3 -17.056 9.213 -11.749 19 3HG2 THR 3 3HG2 THR 3 -18.209 10.060 -12.782 20 H ALA 4 H ALA 4 -14.726 10.639 -15.974 21 HA ALA 4 HA ALA 4 -12.579 12.551 -15.757 22 1HB ALA 4 1HB ALA 4 -12.775 10.772 -17.575 23 2HB ALA 4 2HB ALA 4 -14.038 11.780 -18.281 24 3HB ALA 4 3HB ALA 4 -12.397 12.407 -18.116 25 H VAL 5 H VAL 5 -13.791 13.905 -18.237 26 HA VAL 5 HA VAL 5 -15.218 15.953 -16.731 27 HB VAL 5 HB VAL 5 -15.027 17.318 -18.803 28 1HG1 VAL 5 1HG1 VAL 5 -12.593 17.649 -18.682 29 2HG1 VAL 5 2HG1 VAL 5 -13.336 17.509 -17.088 30 3HG1 VAL 5 3HG1 VAL 5 -12.448 16.147 -17.773 31 1HG2 VAL 5 1HG2 VAL 5 -13.346 15.038 -19.859 32 2HG2 VAL 5 2HG2 VAL 5 -14.985 15.403 -20.397 33 3HG2 VAL 5 3HG2 VAL 5 -13.687 16.566 -20.668 34 H2 A2G 7 H2 A2G 7 -11.599 5.445 -17.338 35 H4 A2G 7 H4 A2G 7 -10.936 1.469 -16.414 36 H5 A2G 7 H5 A2G 7 -10.243 2.896 -14.569 37 H1 A2G 7 H1 A2G 7 -10.167 6.210 -15.606 38 H3 A2G 7 H3 A2G 7 -12.629 2.958 -15.982 39 HO4 A2G 7 HO4 A2G 7 -9.638 3.350 -18.224 40 1H6 A2G 7 1H6 A2G 7 -8.362 1.415 -16.212 41 2H6 A2G 7 2H6 A2G 7 -7.548 2.818 -15.529 42 HN2 A2G 7 HN2 A2G 7 -13.070 5.147 -14.794 43 1H8 A2G 7 1H8 A2G 7 -14.940 6.129 -14.638 44 2H8 A2G 7 2H8 A2G 7 -14.830 7.744 -15.361 45 3H8 A2G 7 3H8 A2G 7 -15.832 6.499 -16.125 46 H2 A2G 10 H2 A2G 10 -10.292 12.073 -13.167 47 H4 A2G 10 H4 A2G 10 -7.434 11.270 -10.386 48 H5 A2G 10 H5 A2G 10 -9.512 10.671 -9.435 49 H1 A2G 10 H1 A2G 10 -12.082 11.274 -11.693 50 H3 A2G 10 H3 A2G 10 -8.362 10.008 -12.054 51 HO4 A2G 10 HO4 A2G 10 -8.595 13.723 -11.422 52 1H6 A2G 10 1H6 A2G 10 -9.524 12.128 -7.674 53 2H6 A2G 10 2H6 A2G 10 -8.184 12.900 -8.505 54 HN2 A2G 10 HN2 A2G 10 -10.419 9.120 -13.131 55 1H8 A2G 10 1H8 A2G 10 -11.891 9.156 -16.142 56 2H8 A2G 10 2H8 A2G 10 -10.151 8.843 -16.278 57 3H8 A2G 10 3H8 A2G 10 -11.066 8.185 -14.909 58 H2 A2G 13 H2 A2G 13 -16.191 14.588 -10.850 59 H4 A2G 13 H4 A2G 13 -17.125 11.769 -8.033 60 H5 A2G 13 H5 A2G 13 -17.366 10.783 -10.175 61 H1 A2G 13 H1 A2G 13 -16.744 13.082 -12.679 62 H3 A2G 13 H3 A2G 13 -15.183 12.360 -9.074 63 HO4 A2G 13 HO4 A2G 13 -18.443 14.192 -8.956 64 1H6 A2G 13 1H6 A2G 13 -19.689 11.452 -8.661 65 2H6 A2G 13 2H6 A2G 13 -20.114 11.672 -10.342 66 HN2 A2G 13 HN2 A2G 13 -14.015 12.642 -11.301 67 1H8 A2G 13 1H8 A2G 13 -11.735 14.312 -10.741 68 2H8 A2G 13 2H8 A2G 13 -12.220 13.654 -12.312 69 3H8 A2G 13 3H8 A2G 13 -11.958 15.397 -12.123 Start of MODEL 43 1 1H ACE 0 1H ACE 0 34.039 43.791 -9.522 2 2H ACE 0 2H ACE 0 34.802 42.974 -8.154 3 3H ACE 0 3H ACE 0 35.748 43.354 -9.597 4 H SER 1 H SER 1 33.505 45.072 -7.503 5 HA SER 1 HA SER 1 35.511 46.929 -6.585 6 1HB SER 1 1HB SER 1 34.565 48.911 -7.520 7 2HB SER 1 2HB SER 1 34.735 47.773 -8.860 8 H THR 2 H THR 2 34.524 48.606 -5.146 9 HA THR 2 HA THR 2 32.432 47.364 -3.520 10 HB THR 2 HB THR 2 33.232 49.276 -1.912 11 1HG2 THR 2 1HG2 THR 2 34.311 46.655 -2.440 12 2HG2 THR 2 2HG2 THR 2 35.537 47.753 -1.801 13 3HG2 THR 2 3HG2 THR 2 34.040 47.484 -0.907 14 H THR 3 H THR 3 31.594 49.684 -2.162 15 HA THR 3 HA THR 3 29.876 50.916 -4.170 16 HB THR 3 HB THR 3 28.691 51.582 -1.907 17 1HG2 THR 3 1HG2 THR 3 27.431 49.580 -1.912 18 2HG2 THR 3 2HG2 THR 3 27.908 49.871 -3.586 19 3HG2 THR 3 3HG2 THR 3 28.768 48.671 -2.618 20 H ALA 4 H ALA 4 29.199 53.220 -3.543 21 HA ALA 4 HA ALA 4 31.201 54.776 -2.186 22 1HB ALA 4 1HB ALA 4 31.778 54.360 -4.741 23 2HB ALA 4 2HB ALA 4 30.634 55.677 -4.974 24 3HB ALA 4 3HB ALA 4 32.072 55.921 -3.981 25 H VAL 5 H VAL 5 30.234 57.192 -3.706 26 HA VAL 5 HA VAL 5 27.811 57.615 -2.145 27 HB VAL 5 HB VAL 5 29.388 59.617 -3.784 28 1HG1 VAL 5 1HG1 VAL 5 27.186 60.438 -3.456 29 2HG1 VAL 5 2HG1 VAL 5 27.175 59.932 -1.766 30 3HG1 VAL 5 3HG1 VAL 5 28.214 61.260 -2.285 31 1HG2 VAL 5 1HG2 VAL 5 30.812 58.772 -2.044 32 2HG2 VAL 5 2HG2 VAL 5 30.246 60.370 -1.555 33 3HG2 VAL 5 3HG2 VAL 5 29.526 58.923 -0.848 34 H2 A2G 7 H2 A2G 7 30.595 49.335 -10.222 35 H4 A2G 7 H4 A2G 7 31.587 45.477 -11.227 36 H5 A2G 7 H5 A2G 7 33.216 46.341 -9.645 37 H1 A2G 7 H1 A2G 7 32.730 49.776 -9.250 38 H3 A2G 7 H3 A2G 7 30.431 46.427 -9.473 39 HO4 A2G 7 HO4 A2G 7 31.842 48.004 -12.645 40 1H6 A2G 7 1H6 A2G 7 35.212 46.366 -11.006 41 2H6 A2G 7 2H6 A2G 7 34.080 45.288 -11.805 42 HN2 A2G 7 HN2 A2G 7 30.684 48.086 -7.551 43 1H8 A2G 7 1H8 A2G 7 29.044 50.148 -6.206 44 2H8 A2G 7 2H8 A2G 7 27.549 49.445 -6.849 45 3H8 A2G 7 3H8 A2G 7 28.867 48.387 -6.316 46 H2 A2G 10 H2 A2G 10 35.352 52.841 -2.967 47 H4 A2G 10 H4 A2G 10 38.624 50.476 -3.357 48 H5 A2G 10 H5 A2G 10 36.907 49.157 -2.379 49 H1 A2G 10 H1 A2G 10 34.023 51.046 -1.957 50 H3 A2G 10 H3 A2G 10 36.812 50.854 -4.721 51 HO4 A2G 10 HO4 A2G 10 37.930 52.646 -1.558 52 1H6 A2G 10 1H6 A2G 10 37.501 49.032 0.001 53 2H6 A2G 10 2H6 A2G 10 38.944 49.225 -0.977 54 HN2 A2G 10 HN2 A2G 10 34.416 50.982 -5.065 55 1H8 A2G 10 1H8 A2G 10 32.964 53.597 -6.698 56 2H8 A2G 10 2H8 A2G 10 33.201 51.842 -6.603 57 3H8 A2G 10 3H8 A2G 10 31.870 52.609 -5.709 58 H2 A2G 13 H2 A2G 13 29.510 50.462 2.323 59 H4 A2G 13 H4 A2G 13 30.256 46.671 0.885 60 H5 A2G 13 H5 A2G 13 29.421 48.025 -0.884 61 H1 A2G 13 H1 A2G 13 28.515 51.164 0.241 62 H3 A2G 13 H3 A2G 13 31.516 48.583 1.058 63 HO4 A2G 13 HO4 A2G 13 28.329 47.765 2.764 64 1H6 A2G 13 1H6 A2G 13 28.116 45.863 -0.362 65 2H6 A2G 13 2H6 A2G 13 26.862 46.884 0.315 66 HN2 A2G 13 HN2 A2G 13 31.612 51.013 0.326 67 1H8 A2G 13 1H8 A2G 13 32.300 53.795 1.592 68 2H8 A2G 13 2H8 A2G 13 33.377 52.796 2.585 69 3H8 A2G 13 3H8 A2G 13 33.121 52.394 0.877 Start of MODEL 44 1 1H ACE 0 1H ACE 0 63.065 14.143 -16.803 2 2H ACE 0 2H ACE 0 61.710 15.123 -16.234 3 3H ACE 0 3H ACE 0 61.604 14.286 -17.785 4 H SER 1 H SER 1 62.357 13.593 -14.415 5 HA SER 1 HA SER 1 61.286 10.917 -14.562 6 1HB SER 1 1HB SER 1 62.065 10.642 -12.329 7 2HB SER 1 2HB SER 1 63.276 11.641 -13.136 8 H THR 2 H THR 2 59.748 10.153 -12.851 9 HA THR 2 HA THR 2 57.445 11.962 -12.777 10 HB THR 2 HB THR 2 56.306 9.751 -12.012 11 1HG2 THR 2 1HG2 THR 2 56.413 8.782 -14.352 12 2HG2 THR 2 2HG2 THR 2 55.792 10.423 -14.180 13 3HG2 THR 2 3HG2 THR 2 57.441 10.160 -14.748 14 H THR 3 H THR 3 56.144 10.645 -10.546 15 HA THR 3 HA THR 3 57.603 11.894 -8.347 16 HB THR 3 HB THR 3 55.302 11.517 -7.210 17 1HG2 THR 3 1HG2 THR 3 54.399 13.518 -8.027 18 2HG2 THR 3 2HG2 THR 3 56.144 13.710 -8.194 19 3HG2 THR 3 3HG2 THR 3 55.161 13.317 -9.605 20 H ALA 4 H ALA 4 58.059 10.771 -6.441 21 HA ALA 4 HA ALA 4 58.206 7.911 -6.753 22 1HB ALA 4 1HB ALA 4 60.043 9.468 -5.806 23 2HB ALA 4 2HB ALA 4 59.104 9.420 -4.314 24 3HB ALA 4 3HB ALA 4 59.754 7.929 -4.997 25 H VAL 5 H VAL 5 58.084 7.698 -3.715 26 HA VAL 5 HA VAL 5 55.251 8.078 -3.186 27 HB VAL 5 HB VAL 5 55.136 5.641 -2.333 28 1HG1 VAL 5 1HG1 VAL 5 53.919 6.629 -4.296 29 2HG1 VAL 5 2HG1 VAL 5 55.207 5.997 -5.321 30 3HG1 VAL 5 3HG1 VAL 5 54.204 4.892 -4.382 31 1HG2 VAL 5 1HG2 VAL 5 57.539 5.148 -2.627 32 2HG2 VAL 5 2HG2 VAL 5 56.517 4.029 -3.528 33 3HG2 VAL 5 3HG2 VAL 5 57.353 5.334 -4.370 34 H2 A2G 7 H2 A2G 7 62.991 13.504 -8.769 35 H4 A2G 7 H4 A2G 7 64.897 15.599 -11.742 36 H5 A2G 7 H5 A2G 7 63.900 13.627 -12.702 37 H1 A2G 7 H1 A2G 7 62.661 11.578 -10.156 38 H3 A2G 7 H3 A2G 7 62.746 15.569 -10.943 39 HO4 A2G 7 HO4 A2G 7 65.889 13.934 -9.578 40 1H6 A2G 7 1H6 A2G 7 65.879 12.245 -13.222 41 2H6 A2G 7 2H6 A2G 7 66.321 13.945 -13.232 42 HN2 A2G 7 HN2 A2G 7 60.744 14.006 -10.612 43 1H8 A2G 7 1H8 A2G 7 58.614 13.752 -8.130 44 2H8 A2G 7 2H8 A2G 7 58.943 15.482 -8.336 45 3H8 A2G 7 3H8 A2G 7 58.874 14.418 -9.752 46 H2 A2G 10 H2 A2G 10 58.286 6.472 -10.025 47 H4 A2G 10 H4 A2G 10 59.050 5.221 -13.816 48 H5 A2G 10 H5 A2G 10 57.658 7.137 -13.969 49 H1 A2G 10 H1 A2G 10 56.863 8.301 -10.801 50 H3 A2G 10 H3 A2G 10 60.098 6.704 -12.436 51 HO4 A2G 10 HO4 A2G 10 57.384 4.182 -11.675 52 1H6 A2G 10 1H6 A2G 10 55.283 5.458 -13.648 53 2H6 A2G 10 2H6 A2G 10 55.977 6.132 -15.110 54 HN2 A2G 10 HN2 A2G 10 59.912 8.735 -11.012 55 1H8 A2G 10 1H8 A2G 10 60.756 9.441 -7.738 56 2H8 A2G 10 2H8 A2G 10 61.964 8.709 -8.808 57 3H8 A2G 10 3H8 A2G 10 60.840 9.926 -9.441 58 H2 A2G 13 H2 A2G 13 52.140 8.734 -8.297 59 H4 A2G 13 H4 A2G 13 51.241 11.581 -11.116 60 H5 A2G 13 H5 A2G 13 53.007 12.380 -9.758 61 H1 A2G 13 H1 A2G 13 53.799 10.166 -7.248 62 H3 A2G 13 H3 A2G 13 52.675 9.786 -11.080 63 HO4 A2G 13 HO4 A2G 13 49.778 10.405 -8.907 64 1H6 A2G 13 1H6 A2G 13 51.298 14.064 -9.821 65 2H6 A2G 13 2H6 A2G 13 50.337 13.272 -8.589 66 HN2 A2G 13 HN2 A2G 13 54.650 8.751 -9.842 67 1H8 A2G 13 1H8 A2G 13 54.805 5.238 -9.240 68 2H8 A2G 13 2H8 A2G 13 54.838 6.184 -10.737 69 3H8 A2G 13 3H8 A2G 13 55.802 6.700 -9.343 Start of MODEL 45 1 1H ACE 0 1H ACE 0 29.355 2.940 -11.703 2 2H ACE 0 2H ACE 0 27.740 3.414 -11.169 3 3H ACE 0 3H ACE 0 29.011 3.114 -9.980 4 H SER 1 H SER 1 27.928 5.309 -9.525 5 HA SER 1 HA SER 1 28.972 7.535 -11.034 6 1HB SER 1 1HB SER 1 27.844 8.901 -9.257 7 2HB SER 1 2HB SER 1 26.772 7.759 -10.064 8 H THR 2 H THR 2 29.586 9.365 -8.978 9 HA THR 2 HA THR 2 32.249 8.404 -8.258 10 HB THR 2 HB THR 2 32.561 10.874 -7.637 11 1HG2 THR 2 1HG2 THR 2 32.059 11.420 -10.293 12 2HG2 THR 2 2HG2 THR 2 33.569 10.813 -9.610 13 3HG2 THR 2 3HG2 THR 2 32.384 9.685 -10.269 14 H THR 3 H THR 3 32.865 9.997 -6.104 15 HA THR 3 HA THR 3 31.284 8.758 -3.970 16 HB THR 3 HB THR 3 33.339 9.453 -2.604 17 1HG2 THR 3 1HG2 THR 3 34.569 7.575 -3.164 18 2HG2 THR 3 2HG2 THR 3 32.949 7.154 -3.723 19 3HG2 THR 3 3HG2 THR 3 34.167 7.705 -4.877 20 H ALA 4 H ALA 4 30.604 10.007 -2.164 21 HA ALA 4 HA ALA 4 30.021 12.741 -2.859 22 1HB ALA 4 1HB ALA 4 29.214 11.316 -0.327 23 2HB ALA 4 2HB ALA 4 28.437 12.703 -1.091 24 3HB ALA 4 3HB ALA 4 28.347 11.113 -1.848 25 H VAL 5 H VAL 5 29.901 13.332 0.128 26 HA VAL 5 HA VAL 5 32.717 13.539 0.825 27 HB VAL 5 HB VAL 5 32.331 16.037 1.370 28 1HG1 VAL 5 1HG1 VAL 5 33.828 15.075 -0.406 29 2HG1 VAL 5 2HG1 VAL 5 32.513 15.342 -1.552 30 3HG1 VAL 5 3HG1 VAL 5 33.242 16.710 -0.711 31 1HG2 VAL 5 1HG2 VAL 5 30.759 17.208 -0.081 32 2HG2 VAL 5 2HG2 VAL 5 30.229 15.675 -0.774 33 3HG2 VAL 5 3HG2 VAL 5 29.906 16.036 0.922 34 H2 A2G 7 H2 A2G 7 25.836 8.111 -5.312 35 H4 A2G 7 H4 A2G 7 23.689 5.228 -7.311 36 H5 A2G 7 H5 A2G 7 25.388 6.163 -8.791 37 H1 A2G 7 H1 A2G 7 26.719 9.041 -7.315 38 H3 A2G 7 H3 A2G 7 25.704 5.241 -6.185 39 HO4 A2G 7 HO4 A2G 7 23.083 7.973 -6.539 40 1H6 A2G 7 1H6 A2G 7 23.877 6.559 -10.469 41 2H6 A2G 7 2H6 A2G 7 22.661 6.293 -9.238 42 HN2 A2G 7 HN2 A2G 7 28.014 6.351 -6.232 43 1H8 A2G 7 1H8 A2G 7 29.686 6.172 -4.942 44 2H8 A2G 7 2H8 A2G 7 29.857 7.297 -3.582 45 3H8 A2G 7 3H8 A2G 7 29.111 5.709 -3.329 46 H2 A2G 10 H2 A2G 10 29.571 13.579 -6.190 47 H4 A2G 10 H4 A2G 10 28.636 14.164 -10.113 48 H5 A2G 10 H5 A2G 10 30.592 12.830 -10.032 49 H1 A2G 10 H1 A2G 10 31.560 12.281 -6.746 50 H3 A2G 10 H3 A2G 10 28.068 12.519 -8.616 51 HO4 A2G 10 HO4 A2G 10 29.643 15.879 -7.993 52 1H6 A2G 10 1H6 A2G 10 30.756 15.457 -10.900 53 2H6 A2G 10 2H6 A2G 10 32.122 15.363 -9.793 54 HN2 A2G 10 HN2 A2G 10 28.839 10.823 -6.958 55 1H8 A2G 10 1H8 A2G 10 26.914 10.507 -4.271 56 2H8 A2G 10 2H8 A2G 10 27.865 9.659 -5.504 57 3H8 A2G 10 3H8 A2G 10 28.547 9.930 -3.890 58 H2 A2G 13 H2 A2G 13 36.255 12.555 -3.356 59 H4 A2G 13 H4 A2G 13 37.890 9.880 -6.040 60 H5 A2G 13 H5 A2G 13 35.993 8.889 -4.978 61 H1 A2G 13 H1 A2G 13 34.749 10.894 -2.476 62 H3 A2G 13 H3 A2G 13 36.275 11.508 -6.174 63 HO4 A2G 13 HO4 A2G 13 38.806 10.995 -3.511 64 1H6 A2G 13 1H6 A2G 13 37.476 7.157 -4.799 65 2H6 A2G 13 2H6 A2G 13 38.678 8.072 -3.921 66 HN2 A2G 13 HN2 A2G 13 34.242 12.279 -5.483 67 1H8 A2G 13 1H8 A2G 13 32.873 13.863 -5.709 68 2H8 A2G 13 2H8 A2G 13 32.239 14.446 -4.158 69 3H8 A2G 13 3H8 A2G 13 33.374 15.446 -5.084 Start of MODEL 46 1 1H ACE 0 1H ACE 0 3.075 -2.685 -64.926 2 2H ACE 0 2H ACE 0 2.204 -1.191 -64.565 3 3H ACE 0 3H ACE 0 2.150 -1.874 -66.193 4 H SER 1 H SER 1 1.275 -4.048 -66.389 5 HA SER 1 HA SER 1 -1.261 -4.207 -65.015 6 1HB SER 1 1HB SER 1 -1.711 -6.078 -66.581 7 2HB SER 1 2HB SER 1 -1.180 -4.617 -67.414 8 H THR 2 H THR 2 -1.856 -6.842 -64.798 9 HA THR 2 HA THR 2 -0.167 -7.640 -62.551 10 HB THR 2 HB THR 2 -2.051 -9.274 -62.120 11 1HG2 THR 2 1HG2 THR 2 -3.109 -7.791 -60.839 12 2HG2 THR 2 2HG2 THR 2 -1.877 -6.662 -61.409 13 3HG2 THR 2 3HG2 THR 2 -3.457 -6.717 -62.196 14 H THR 3 H THR 3 -0.517 -10.248 -62.294 15 HA THR 3 HA THR 3 0.941 -11.393 -64.569 16 HB THR 3 HB THR 3 1.511 -13.172 -62.835 17 1HG2 THR 3 1HG2 THR 3 3.126 -11.839 -61.636 18 2HG2 THR 3 2HG2 THR 3 3.076 -11.345 -63.330 19 3HG2 THR 3 3HG2 THR 3 2.280 -10.362 -62.100 20 H ALA 4 H ALA 4 0.581 -13.959 -64.479 21 HA ALA 4 HA ALA 4 -2.162 -14.715 -64.028 22 1HB ALA 4 1HB ALA 4 -1.488 -13.718 -66.553 23 2HB ALA 4 2HB ALA 4 -1.543 -15.469 -66.748 24 3HB ALA 4 3HB ALA 4 -2.945 -14.606 -66.115 25 H VAL 5 H VAL 5 -1.943 -16.596 -63.032 26 HA VAL 5 HA VAL 5 0.312 -18.335 -63.650 27 HB VAL 5 HB VAL 5 -0.237 -17.837 -61.283 28 1HG1 VAL 5 1HG1 VAL 5 -2.178 -18.642 -60.207 29 2HG1 VAL 5 2HG1 VAL 5 -2.733 -17.809 -61.659 30 3HG1 VAL 5 3HG1 VAL 5 -2.671 -19.571 -61.621 31 1HG2 VAL 5 1HG2 VAL 5 0.119 -20.045 -60.469 32 2HG2 VAL 5 2HG2 VAL 5 -0.661 -20.762 -61.880 33 3HG2 VAL 5 3HG2 VAL 5 0.899 -19.956 -62.047 34 H2 A2G 7 H2 A2G 7 0.662 -8.719 -69.321 35 H4 A2G 7 H4 A2G 7 1.886 -5.161 -70.984 36 H5 A2G 7 H5 A2G 7 0.494 -4.686 -69.086 37 H1 A2G 7 H1 A2G 7 -0.999 -7.656 -67.978 38 H3 A2G 7 H3 A2G 7 2.678 -6.501 -69.308 39 HO4 A2G 7 HO4 A2G 7 -0.063 -7.163 -71.810 40 1H6 A2G 7 1H6 A2G 7 -0.851 -3.283 -70.282 41 2H6 A2G 7 2H6 A2G 7 -0.218 -4.051 -71.726 42 HN2 A2G 7 HN2 A2G 7 2.040 -7.414 -67.066 43 1H8 A2G 7 1H8 A2G 7 2.805 -10.453 -65.816 44 2H8 A2G 7 2H8 A2G 7 4.169 -9.689 -66.653 45 3H8 A2G 7 3H8 A2G 7 3.040 -8.699 -65.710 46 H2 A2G 10 H2 A2G 10 -4.859 -11.220 -64.686 47 H4 A2G 10 H4 A2G 10 -6.819 -7.639 -64.897 48 H5 A2G 10 H5 A2G 10 -5.038 -7.437 -63.334 49 H1 A2G 10 H1 A2G 10 -3.392 -10.447 -62.915 50 H3 A2G 10 H3 A2G 10 -4.991 -8.491 -66.007 51 HO4 A2G 10 HO4 A2G 10 -7.512 -10.285 -63.921 52 1H6 A2G 10 1H6 A2G 10 -7.388 -6.911 -62.460 53 2H6 A2G 10 2H6 A2G 10 -7.346 -8.449 -61.617 54 HN2 A2G 10 HN2 A2G 10 -2.706 -9.521 -65.778 55 1H8 A2G 10 1H8 A2G 10 -0.976 -11.766 -66.660 56 2H8 A2G 10 2H8 A2G 10 -1.989 -12.013 -68.095 57 3H8 A2G 10 3H8 A2G 10 -1.655 -10.371 -67.519 58 H2 A2G 13 H2 A2G 13 -1.003 -14.393 -59.503 59 H4 A2G 13 H4 A2G 13 0.827 -11.250 -57.625 60 H5 A2G 13 H5 A2G 13 1.894 -11.559 -59.702 61 H1 A2G 13 H1 A2G 13 0.465 -14.181 -61.451 62 H3 A2G 13 H3 A2G 13 -1.002 -11.418 -58.980 63 HO4 A2G 13 HO4 A2G 13 0.743 -14.101 -57.093 64 1H6 A2G 13 1H6 A2G 13 3.256 -12.158 -57.418 65 2H6 A2G 13 2H6 A2G 13 3.533 -13.640 -58.329 66 HN2 A2G 13 HN2 A2G 13 -1.960 -12.029 -60.987 67 1H8 A2G 13 1H8 A2G 13 -3.869 -12.209 -61.892 68 2H8 A2G 13 2H8 A2G 13 -3.840 -13.652 -62.921 69 3H8 A2G 13 3H8 A2G 13 -4.904 -13.594 -61.506 Start of MODEL 47 1 1H ACE 0 1H ACE 0 -20.483 -30.938 -25.680 2 2H ACE 0 2H ACE 0 -18.744 -30.639 -25.604 3 3H ACE 0 3H ACE 0 -19.733 -30.473 -24.151 4 H SER 1 H SER 1 -19.128 -32.828 -26.707 5 HA SER 1 HA SER 1 -18.293 -34.868 -24.820 6 1HB SER 1 1HB SER 1 -20.033 -36.482 -25.544 7 2HB SER 1 2HB SER 1 -20.746 -35.077 -24.738 8 H THR 2 H THR 2 -17.138 -36.523 -25.790 9 HA THR 2 HA THR 2 -16.495 -36.113 -28.620 10 HB THR 2 HB THR 2 -14.573 -37.686 -28.084 11 1HG2 THR 2 1HG2 THR 2 -13.231 -35.968 -27.591 12 2HG2 THR 2 2HG2 THR 2 -14.687 -35.000 -27.817 13 3HG2 THR 2 3HG2 THR 2 -14.191 -35.480 -26.194 14 H THR 3 H THR 3 -15.507 -38.521 -29.343 15 HA THR 3 HA THR 3 -17.886 -40.234 -29.410 16 HB THR 3 HB THR 3 -16.661 -41.195 -31.453 17 1HG2 THR 3 1HG2 THR 3 -17.309 -39.395 -32.934 18 2HG2 THR 3 2HG2 THR 3 -18.534 -39.618 -31.685 19 3HG2 THR 3 3HG2 THR 3 -17.389 -38.279 -31.569 20 H ALA 4 H ALA 4 -17.471 -42.590 -29.459 21 HA ALA 4 HA ALA 4 -15.520 -43.264 -27.451 22 1HB ALA 4 1HB ALA 4 -17.391 -45.177 -28.836 23 2HB ALA 4 2HB ALA 4 -16.664 -45.323 -27.235 24 3HB ALA 4 3HB ALA 4 -17.921 -44.122 -27.527 25 H VAL 5 H VAL 5 -15.456 -46.063 -28.695 26 HA VAL 5 HA VAL 5 -13.035 -45.595 -30.244 27 HB VAL 5 HB VAL 5 -14.217 -48.212 -29.277 28 1HG1 VAL 5 1HG1 VAL 5 -11.572 -47.520 -30.534 29 2HG1 VAL 5 2HG1 VAL 5 -11.853 -49.015 -29.641 30 3HG1 VAL 5 3HG1 VAL 5 -12.782 -48.670 -31.100 31 1HG2 VAL 5 1HG2 VAL 5 -13.627 -46.806 -27.392 32 2HG2 VAL 5 2HG2 VAL 5 -12.442 -48.104 -27.547 33 3HG2 VAL 5 3HG2 VAL 5 -12.044 -46.474 -28.094 34 H2 A2G 7 H2 A2G 7 -23.313 -36.416 -28.621 35 H4 A2G 7 H4 A2G 7 -23.944 -32.472 -27.539 36 H5 A2G 7 H5 A2G 7 -22.201 -33.427 -26.148 37 H1 A2G 7 H1 A2G 7 -22.025 -36.856 -26.639 38 H3 A2G 7 H3 A2G 7 -22.472 -33.531 -28.957 39 HO4 A2G 7 HO4 A2G 7 -25.466 -34.915 -27.102 40 1H6 A2G 7 1H6 A2G 7 -23.180 -32.909 -24.140 41 2H6 A2G 7 2H6 A2G 7 -24.559 -32.460 -25.130 42 HN2 A2G 7 HN2 A2G 7 -20.772 -35.018 -29.201 43 1H8 A2G 7 1H8 A2G 7 -19.107 -36.479 -30.006 44 2H8 A2G 7 2H8 A2G 7 -19.633 -37.927 -30.883 45 3H8 A2G 7 3H8 A2G 7 -20.028 -36.318 -31.512 46 H2 A2G 10 H2 A2G 10 -13.992 -40.685 -25.079 47 H4 A2G 10 H4 A2G 10 -13.644 -37.642 -22.387 48 H5 A2G 10 H5 A2G 10 -13.788 -36.684 -24.578 49 H1 A2G 10 H1 A2G 10 -13.918 -39.176 -26.986 50 H3 A2G 10 H3 A2G 10 -15.462 -38.677 -23.345 51 HO4 A2G 10 HO4 A2G 10 -11.793 -39.622 -23.418 52 1H6 A2G 10 1H6 A2G 10 -10.886 -36.907 -24.867 53 2H6 A2G 10 2H6 A2G 10 -11.858 -35.512 -24.455 54 HN2 A2G 10 HN2 A2G 10 -16.606 -39.370 -25.459 55 1H8 A2G 10 1H8 A2G 10 -17.967 -42.638 -25.943 56 2H8 A2G 10 2H8 A2G 10 -18.366 -41.154 -25.060 57 3H8 A2G 10 3H8 A2G 10 -17.967 -41.077 -26.785 58 H2 A2G 13 H2 A2G 13 -12.312 -41.029 -32.118 59 H4 A2G 13 H4 A2G 13 -13.337 -37.400 -33.690 60 H5 A2G 13 H5 A2G 13 -15.322 -38.568 -33.196 61 H1 A2G 13 H1 A2G 13 -14.673 -41.632 -31.795 62 H3 A2G 13 H3 A2G 13 -12.871 -38.102 -31.565 63 HO4 A2G 13 HO4 A2G 13 -12.102 -39.781 -34.802 64 1H6 A2G 13 1H6 A2G 13 -14.615 -38.163 -35.812 65 2H6 A2G 13 2H6 A2G 13 -15.033 -39.870 -35.841 66 HN2 A2G 13 HN2 A2G 13 -13.490 -39.763 -29.731 67 1H8 A2G 13 1H8 A2G 13 -11.874 -39.739 -27.934 68 2H8 A2G 13 2H8 A2G 13 -12.528 -41.381 -27.790 69 3H8 A2G 13 3H8 A2G 13 -10.775 -41.128 -27.865 Start of MODEL 48 1 1H ACE 0 1H ACE 0 -24.902 -0.833 13.370 2 2H ACE 0 2H ACE 0 -24.675 0.665 12.461 3 3H ACE 0 3H ACE 0 -23.290 -0.128 13.218 4 H SER 1 H SER 1 -23.354 -2.592 12.612 5 HA SER 1 HA SER 1 -23.990 -3.129 9.843 6 1HB SER 1 1HB SER 1 -21.472 -3.769 9.478 7 2HB SER 1 2HB SER 1 -21.968 -2.082 9.299 8 H THR 2 H THR 2 -23.146 -5.356 9.205 9 HA THR 2 HA THR 2 -23.609 -7.160 11.458 10 HB THR 2 HB THR 2 -23.767 -8.889 9.593 11 1HG2 THR 2 1HG2 THR 2 -25.972 -8.595 9.482 12 2HG2 THR 2 2HG2 THR 2 -25.703 -7.231 10.567 13 3HG2 THR 2 3HG2 THR 2 -25.820 -6.964 8.827 14 H THR 3 H THR 3 -22.491 -9.442 10.720 15 HA THR 3 HA THR 3 -19.617 -8.927 10.922 16 HB THR 3 HB THR 3 -19.675 -11.372 11.742 17 1HG2 THR 3 1HG2 THR 3 -21.350 -9.489 13.374 18 2HG2 THR 3 2HG2 THR 3 -20.325 -10.807 13.950 19 3HG2 THR 3 3HG2 THR 3 -19.594 -9.358 13.256 20 H ALA 4 H ALA 4 -18.356 -10.960 10.049 21 HA ALA 4 HA ALA 4 -19.468 -12.108 7.653 22 1HB ALA 4 1HB ALA 4 -18.002 -9.700 7.461 23 2HB ALA 4 2HB ALA 4 -16.962 -10.981 6.841 24 3HB ALA 4 3HB ALA 4 -18.565 -10.734 6.150 25 H VAL 5 H VAL 5 -18.838 -14.151 7.661 26 HA VAL 5 HA VAL 5 -16.443 -14.931 9.128 27 HB VAL 5 HB VAL 5 -18.560 -16.164 9.508 28 1HG1 VAL 5 1HG1 VAL 5 -19.549 -17.571 7.883 29 2HG1 VAL 5 2HG1 VAL 5 -19.326 -16.001 7.111 30 3HG1 VAL 5 3HG1 VAL 5 -18.218 -17.326 6.753 31 1HG2 VAL 5 1HG2 VAL 5 -16.510 -17.972 8.233 32 2HG2 VAL 5 2HG2 VAL 5 -16.269 -17.190 9.796 33 3HG2 VAL 5 3HG2 VAL 5 -17.591 -18.336 9.576 34 H2 A2G 7 H2 A2G 7 -17.740 -2.949 11.507 35 H4 A2G 7 H4 A2G 7 -19.288 0.519 13.085 36 H5 A2G 7 H5 A2G 7 -20.842 -0.374 11.476 37 H1 A2G 7 H1 A2G 7 -19.431 -3.060 9.786 38 H3 A2G 7 H3 A2G 7 -19.516 -1.716 13.611 39 HO4 A2G 7 HO4 A2G 7 -17.107 -0.048 11.247 40 1H6 A2G 7 1H6 A2G 7 -19.531 2.056 11.086 41 2H6 A2G 7 2H6 A2G 7 -19.381 1.291 9.508 42 HN2 A2G 7 HN2 A2G 7 -20.133 -3.831 12.990 43 1H8 A2G 7 1H8 A2G 7 -18.986 -6.248 14.086 44 2H8 A2G 7 2H8 A2G 7 -20.406 -6.062 13.041 45 3H8 A2G 7 3H8 A2G 7 -19.090 -7.151 12.564 46 H2 A2G 10 H2 A2G 10 -22.178 -9.025 5.602 47 H4 A2G 10 H4 A2G 10 -24.895 -6.171 4.580 48 H5 A2G 10 H5 A2G 10 -25.226 -6.798 6.880 49 H1 A2G 10 H1 A2G 10 -23.202 -9.433 7.777 50 H3 A2G 10 H3 A2G 10 -22.868 -6.068 5.678 51 HO4 A2G 10 HO4 A2G 10 -24.543 -8.971 3.909 52 1H6 A2G 10 1H6 A2G 10 -27.179 -7.041 5.104 53 2H6 A2G 10 2H6 A2G 10 -27.088 -8.744 5.538 54 HN2 A2G 10 HN2 A2G 10 -21.411 -6.920 7.525 55 1H8 A2G 10 1H8 A2G 10 -18.055 -7.548 6.729 56 2H8 A2G 10 2H8 A2G 10 -19.212 -6.455 7.510 57 3H8 A2G 10 3H8 A2G 10 -18.838 -8.025 8.248 58 H2 A2G 13 H2 A2G 13 -22.665 -14.437 11.002 59 H4 A2G 13 H4 A2G 13 -24.848 -12.254 13.704 60 H5 A2G 13 H5 A2G 13 -22.674 -11.413 13.715 61 H1 A2G 13 H1 A2G 13 -20.681 -13.098 11.455 62 H3 A2G 13 H3 A2G 13 -24.569 -12.135 11.450 63 HO4 A2G 13 HO4 A2G 13 -23.990 -15.024 13.662 64 1H6 A2G 13 1H6 A2G 13 -22.245 -13.695 15.665 65 2H6 A2G 13 2H6 A2G 13 -21.784 -12.016 15.814 66 HN2 A2G 13 HN2 A2G 13 -22.826 -11.796 9.688 67 1H8 A2G 13 1H8 A2G 13 -21.970 -12.679 7.041 68 2H8 A2G 13 2H8 A2G 13 -23.543 -13.407 6.670 69 3H8 A2G 13 3H8 A2G 13 -23.464 -11.871 7.551 Start of MODEL 49 1 1H ACE 0 1H ACE 0 28.499 21.771 -8.497 2 2H ACE 0 2H ACE 0 28.132 20.718 -9.867 3 3H ACE 0 3H ACE 0 26.908 21.838 -9.262 4 H SER 1 H SER 1 27.875 24.133 -9.051 5 HA SER 1 HA SER 1 29.635 24.940 -11.199 6 1HB SER 1 1HB SER 1 27.964 26.356 -12.321 7 2HB SER 1 2HB SER 1 27.475 24.659 -12.369 8 H THR 2 H THR 2 30.447 26.996 -10.931 9 HA THR 2 HA THR 2 29.811 28.260 -8.366 10 HB THR 2 HB THR 2 31.915 29.624 -8.945 11 1HG2 THR 2 1HG2 THR 2 31.890 27.689 -7.358 12 2HG2 THR 2 2HG2 THR 2 32.381 26.666 -8.709 13 3HG2 THR 2 3HG2 THR 2 33.429 27.978 -8.170 14 H THR 3 H THR 3 30.645 30.842 -8.849 15 HA THR 3 HA THR 3 28.462 31.876 -10.493 16 HB THR 3 HB THR 3 29.108 34.024 -9.195 17 1HG2 THR 3 1HG2 THR 3 28.185 31.704 -7.526 18 2HG2 THR 3 2HG2 THR 3 27.866 33.418 -7.249 19 3HG2 THR 3 3HG2 THR 3 27.143 32.599 -8.634 20 H ALA 4 H ALA 4 28.836 33.390 -12.118 21 HA ALA 4 HA ALA 4 31.507 33.358 -13.195 22 1HB ALA 4 1HB ALA 4 29.351 33.050 -14.533 23 2HB ALA 4 2HB ALA 4 29.132 34.792 -14.370 24 3HB ALA 4 3HB ALA 4 30.550 34.154 -15.203 25 H VAL 5 H VAL 5 30.868 36.046 -14.493 26 HA VAL 5 HA VAL 5 32.146 37.652 -12.425 27 HB VAL 5 HB VAL 5 32.475 39.339 -14.224 28 1HG1 VAL 5 1HG1 VAL 5 34.176 38.116 -15.433 29 2HG1 VAL 5 2HG1 VAL 5 34.167 37.623 -13.740 30 3HG1 VAL 5 3HG1 VAL 5 33.444 36.582 -14.966 31 1HG2 VAL 5 1HG2 VAL 5 31.274 37.231 -16.031 32 2HG2 VAL 5 2HG2 VAL 5 30.512 38.761 -15.597 33 3HG2 VAL 5 3HG2 VAL 5 31.998 38.752 -16.546 34 H2 A2G 7 H2 A2G 7 23.611 27.395 -11.594 35 H4 A2G 7 H4 A2G 7 23.279 23.729 -9.794 36 H5 A2G 7 H5 A2G 7 25.445 23.867 -10.836 37 H1 A2G 7 H1 A2G 7 25.696 26.807 -12.686 38 H3 A2G 7 H3 A2G 7 24.149 25.734 -9.123 39 HO4 A2G 7 HO4 A2G 7 22.139 24.846 -12.222 40 1H6 A2G 7 1H6 A2G 7 25.250 22.222 -12.545 41 2H6 A2G 7 2H6 A2G 7 23.856 21.938 -11.524 42 HN2 A2G 7 HN2 A2G 7 25.629 27.518 -9.438 43 1H8 A2G 7 1H8 A2G 7 26.721 29.573 -9.377 44 2H8 A2G 7 2H8 A2G 7 25.931 30.992 -10.083 45 3H8 A2G 7 3H8 A2G 7 25.226 30.200 -8.668 46 H2 A2G 10 H2 A2G 10 33.530 30.418 -12.902 47 H4 A2G 10 H4 A2G 10 35.295 26.779 -12.325 48 H5 A2G 10 H5 A2G 10 34.179 27.388 -10.336 49 H1 A2G 10 H1 A2G 10 32.661 30.449 -10.613 50 H3 A2G 10 H3 A2G 10 33.217 27.402 -13.096 51 HO4 A2G 10 HO4 A2G 10 36.311 29.475 -12.683 52 1H6 A2G 10 1H6 A2G 10 36.860 27.182 -10.287 53 2H6 A2G 10 2H6 A2G 10 36.739 28.849 -9.745 54 HN2 A2G 10 HN2 A2G 10 31.152 28.678 -12.647 55 1H8 A2G 10 1H8 A2G 10 29.668 30.412 -15.245 56 2H8 A2G 10 2H8 A2G 10 29.560 29.079 -14.082 57 3H8 A2G 10 3H8 A2G 10 29.176 30.733 -13.572 58 H2 A2G 13 H2 A2G 13 32.793 34.990 -7.092 59 H4 A2G 13 H4 A2G 13 31.317 32.513 -4.180 60 H5 A2G 13 H5 A2G 13 29.653 32.712 -5.872 61 H1 A2G 13 H1 A2G 13 30.716 34.921 -8.349 62 H3 A2G 13 H3 A2G 13 32.541 32.159 -6.082 63 HO4 A2G 13 HO4 A2G 13 31.731 35.389 -4.294 64 1H6 A2G 13 1H6 A2G 13 27.940 33.789 -4.711 65 2H6 A2G 13 2H6 A2G 13 29.131 33.621 -3.429 66 HN2 A2G 13 HN2 A2G 13 32.765 32.320 -8.352 67 1H8 A2G 13 1H8 A2G 13 34.014 33.268 -11.078 68 2H8 A2G 13 2H8 A2G 13 35.509 33.172 -10.132 69 3H8 A2G 13 3H8 A2G 13 34.217 31.988 -9.869 Start of MODEL 50 1 1H ACE 0 1H ACE 0 -35.772 -13.128 -34.659 2 2H ACE 0 2H ACE 0 -34.251 -12.230 -34.622 3 3H ACE 0 3H ACE 0 -35.057 -12.665 -33.112 4 H SER 1 H SER 1 -34.046 -14.239 -36.090 5 HA SER 1 HA SER 1 -33.359 -16.693 -34.737 6 1HB SER 1 1HB SER 1 -32.840 -17.543 -36.954 7 2HB SER 1 2HB SER 1 -34.366 -16.660 -37.014 8 H THR 2 H THR 2 -31.191 -17.745 -35.447 9 HA THR 2 HA THR 2 -29.083 -15.886 -34.660 10 HB THR 2 HB THR 2 -27.772 -18.083 -34.390 11 1HG2 THR 2 1HG2 THR 2 -29.212 -16.759 -32.597 12 2HG2 THR 2 2HG2 THR 2 -30.126 -18.268 -32.625 13 3HG2 THR 2 3HG2 THR 2 -28.404 -18.285 -32.241 14 H THR 3 H THR 3 -26.870 -17.326 -35.666 15 HA THR 3 HA THR 3 -26.981 -16.563 -38.484 16 HB THR 3 HB THR 3 -24.427 -16.826 -38.193 17 1HG2 THR 3 1HG2 THR 3 -24.159 -14.650 -37.551 18 2HG2 THR 3 2HG2 THR 3 -25.871 -14.633 -37.978 19 3HG2 THR 3 3HG2 THR 3 -25.384 -14.757 -36.286 20 H ALA 4 H ALA 4 -26.008 -17.969 -40.077 21 HA ALA 4 HA ALA 4 -26.524 -20.734 -39.483 22 1HB ALA 4 1HB ALA 4 -25.547 -19.659 -42.118 23 2HB ALA 4 2HB ALA 4 -26.528 -21.092 -41.810 24 3HB ALA 4 3HB ALA 4 -27.226 -19.484 -41.612 25 H VAL 5 H VAL 5 -24.500 -21.456 -41.639 26 HA VAL 5 HA VAL 5 -21.970 -21.066 -40.260 27 HB VAL 5 HB VAL 5 -21.552 -23.615 -40.460 28 1HG1 VAL 5 1HG1 VAL 5 -21.767 -22.267 -38.355 29 2HG1 VAL 5 2HG1 VAL 5 -23.468 -22.734 -38.312 30 3HG1 VAL 5 3HG1 VAL 5 -22.211 -23.967 -38.207 31 1HG2 VAL 5 1HG2 VAL 5 -24.573 -23.616 -40.306 32 2HG2 VAL 5 2HG2 VAL 5 -23.621 -24.125 -41.701 33 3HG2 VAL 5 3HG2 VAL 5 -23.523 -25.027 -40.188 34 H2 A2G 7 H2 A2G 7 -32.088 -15.725 -41.100 35 H4 A2G 7 H4 A2G 7 -35.192 -13.189 -40.179 36 H5 A2G 7 H5 A2G 7 -34.739 -14.649 -38.283 37 H1 A2G 7 H1 A2G 7 -32.556 -17.188 -39.275 38 H3 A2G 7 H3 A2G 7 -32.922 -13.155 -39.780 39 HO4 A2G 7 HO4 A2G 7 -34.984 -15.546 -41.878 40 1H6 A2G 7 1H6 A2G 7 -36.920 -15.254 -38.082 41 2H6 A2G 7 2H6 A2G 7 -37.151 -14.685 -39.726 42 HN2 A2G 7 HN2 A2G 7 -31.054 -14.480 -38.636 43 1H8 A2G 7 1H8 A2G 7 -27.929 -15.004 -39.717 44 2H8 A2G 7 2H8 A2G 7 -28.419 -13.326 -40.012 45 3H8 A2G 7 3H8 A2G 7 -28.964 -14.164 -38.548 46 H2 A2G 10 H2 A2G 10 -28.338 -21.918 -36.254 47 H4 A2G 10 H4 A2G 10 -31.394 -22.433 -33.641 48 H5 A2G 10 H5 A2G 10 -30.309 -20.369 -33.093 49 H1 A2G 10 H1 A2G 10 -27.564 -19.870 -35.158 50 H3 A2G 10 H3 A2G 10 -31.215 -21.246 -35.617 51 HO4 A2G 10 HO4 A2G 10 -28.790 -23.669 -33.956 52 1H6 A2G 10 1H6 A2G 10 -28.470 -21.907 -31.397 53 2H6 A2G 10 2H6 A2G 10 -29.854 -20.927 -30.945 54 HN2 A2G 10 HN2 A2G 10 -30.072 -19.655 -37.023 55 1H8 A2G 10 1H8 A2G 10 -29.200 -20.322 -40.398 56 2H8 A2G 10 2H8 A2G 10 -30.482 -19.691 -39.348 57 3H8 A2G 10 3H8 A2G 10 -28.896 -18.899 -39.382 58 H2 A2G 13 H2 A2G 13 -22.298 -19.242 -35.308 59 H4 A2G 13 H4 A2G 13 -22.942 -16.135 -32.742 60 H5 A2G 13 H5 A2G 13 -23.794 -15.525 -34.885 61 H1 A2G 13 H1 A2G 13 -23.149 -17.993 -37.216 62 H3 A2G 13 H3 A2G 13 -24.210 -17.939 -33.365 63 HO4 A2G 13 HO4 A2G 13 -20.564 -17.221 -33.989 64 1H6 A2G 13 1H6 A2G 13 -21.062 -14.540 -35.473 65 2H6 A2G 13 2H6 A2G 13 -22.550 -13.650 -35.214 66 HN2 A2G 13 HN2 A2G 13 -25.245 -19.203 -35.317 67 1H8 A2G 13 1H8 A2G 13 -25.121 -22.771 -35.121 68 2H8 A2G 13 2H8 A2G 13 -26.063 -21.401 -34.510 69 3H8 A2G 13 3H8 A2G 13 -25.815 -21.598 -36.254 Start of MODEL 51 1 1H ACE 0 1H ACE 0 30.174 23.039 -20.070 2 2H ACE 0 2H ACE 0 29.554 24.100 -18.802 3 3H ACE 0 3H ACE 0 28.434 23.167 -19.799 4 H SER 1 H SER 1 31.429 22.416 -18.126 5 HA SER 1 HA SER 1 30.383 19.921 -17.111 6 1HB SER 1 1HB SER 1 32.599 19.470 -16.351 7 2HB SER 1 2HB SER 1 32.783 20.293 -17.898 8 H THR 2 H THR 2 30.166 19.356 -14.930 9 HA THR 2 HA THR 2 29.583 21.644 -13.195 10 HB THR 2 HB THR 2 28.484 19.816 -11.755 11 1HG2 THR 2 1HG2 THR 2 26.470 19.844 -12.933 12 2HG2 THR 2 2HG2 THR 2 27.267 21.368 -13.320 13 3HG2 THR 2 3HG2 THR 2 27.284 20.044 -14.485 14 H THR 3 H THR 3 29.788 20.277 -10.703 15 HA THR 3 HA THR 3 32.696 20.248 -10.391 16 HB THR 3 HB THR 3 31.948 20.500 -7.909 17 1HG2 THR 3 1HG2 THR 3 31.205 22.746 -9.764 18 2HG2 THR 3 2HG2 THR 3 31.698 22.866 -8.075 19 3HG2 THR 3 3HG2 THR 3 32.864 22.362 -9.301 20 H ALA 4 H ALA 4 33.481 18.836 -8.569 21 HA ALA 4 HA ALA 4 31.944 16.461 -8.037 22 1HB ALA 4 1HB ALA 4 33.913 16.492 -10.143 23 2HB ALA 4 2HB ALA 4 34.388 15.367 -8.873 24 3HB ALA 4 3HB ALA 4 32.820 15.200 -9.657 25 H VAL 5 H VAL 5 32.254 16.077 -5.939 26 HA VAL 5 HA VAL 5 34.944 16.141 -4.819 27 HB VAL 5 HB VAL 5 32.692 17.706 -3.529 28 1HG1 VAL 5 1HG1 VAL 5 34.133 16.827 -1.852 29 2HG1 VAL 5 2HG1 VAL 5 35.574 17.280 -2.764 30 3HG1 VAL 5 3HG1 VAL 5 34.547 18.528 -2.055 31 1HG2 VAL 5 1HG2 VAL 5 33.430 18.933 -5.457 32 2HG2 VAL 5 2HG2 VAL 5 34.133 19.696 -4.030 33 3HG2 VAL 5 3HG2 VAL 5 35.122 18.654 -5.052 34 H2 A2G 7 H2 A2G 7 36.345 22.185 -15.486 35 H4 A2G 7 H4 A2G 7 34.500 24.747 -18.125 36 H5 A2G 7 H5 A2G 7 33.302 22.700 -18.061 37 H1 A2G 7 H1 A2G 7 34.969 20.329 -16.164 38 H3 A2G 7 H3 A2G 7 34.251 24.312 -15.895 39 HO4 A2G 7 HO4 A2G 7 37.062 23.379 -18.123 40 1H6 A2G 7 1H6 A2G 7 35.341 22.346 -20.301 41 2H6 A2G 7 2H6 A2G 7 33.686 21.777 -20.274 42 HN2 A2G 7 HN2 A2G 7 33.675 22.445 -14.271 43 1H8 A2G 7 1H8 A2G 7 35.024 23.324 -11.308 44 2H8 A2G 7 2H8 A2G 7 33.596 22.718 -12.167 45 3H8 A2G 7 3H8 A2G 7 34.739 21.579 -11.431 46 H2 A2G 10 H2 A2G 10 29.229 15.595 -11.570 47 H4 A2G 10 H4 A2G 10 26.994 15.435 -14.961 48 H5 A2G 10 H5 A2G 10 26.851 17.654 -14.152 49 H1 A2G 10 H1 A2G 10 28.728 17.958 -11.223 50 H3 A2G 10 H3 A2G 10 29.207 15.887 -14.580 51 HO4 A2G 10 HO4 A2G 10 26.586 14.425 -12.262 52 1H6 A2G 10 1H6 A2G 10 24.601 17.790 -13.624 53 2H6 A2G 10 2H6 A2G 10 24.634 16.090 -14.058 54 HN2 A2G 10 HN2 A2G 10 30.842 17.326 -13.339 55 1H8 A2G 10 1H8 A2G 10 33.033 16.745 -13.395 56 2H8 A2G 10 2H8 A2G 10 33.218 17.385 -11.749 57 3H8 A2G 10 3H8 A2G 10 33.722 15.724 -12.119 58 H2 A2G 13 H2 A2G 13 28.098 19.615 -6.147 59 H4 A2G 13 H4 A2G 13 26.893 23.114 -7.898 60 H5 A2G 13 H5 A2G 13 29.224 22.868 -8.253 61 H1 A2G 13 H1 A2G 13 30.430 20.027 -6.701 62 H3 A2G 13 H3 A2G 13 27.082 20.968 -8.659 63 HO4 A2G 13 HO4 A2G 13 27.144 22.241 -5.145 64 1H6 A2G 13 1H6 A2G 13 28.324 24.925 -6.754 65 2H6 A2G 13 2H6 A2G 13 29.425 24.218 -5.577 66 HN2 A2G 13 HN2 A2G 13 28.641 18.993 -8.981 67 1H8 A2G 13 1H8 A2G 13 28.822 16.585 -9.155 68 2H8 A2G 13 2H8 A2G 13 27.606 15.656 -8.258 69 3H8 A2G 13 3H8 A2G 13 27.096 16.841 -9.475 Start of MODEL 52 1 1H ACE 0 1H ACE 0 3.009 -5.281 10.434 2 2H ACE 0 2H ACE 0 3.832 -4.328 9.194 3 3H ACE 0 3H ACE 0 4.717 -5.568 10.088 4 H SER 1 H SER 1 5.088 -5.896 7.662 5 HA SER 1 HA SER 1 3.642 -8.288 6.919 6 1HB SER 1 1HB SER 1 3.069 -7.428 4.648 7 2HB SER 1 2HB SER 1 2.206 -6.575 5.931 8 H THR 2 H THR 2 4.506 -8.569 4.301 9 HA THR 2 HA THR 2 7.388 -8.833 4.703 10 HB THR 2 HB THR 2 7.108 -10.215 2.491 11 1HG2 THR 2 1HG2 THR 2 7.262 -10.993 5.035 12 2HG2 THR 2 2HG2 THR 2 5.644 -11.579 4.647 13 3HG2 THR 2 3HG2 THR 2 7.027 -12.110 3.690 14 H THR 3 H THR 3 8.199 -8.955 2.013 15 HA THR 3 HA THR 3 8.180 -6.123 1.317 16 HB THR 3 HB THR 3 10.139 -7.015 -0.185 17 1HG2 THR 3 1HG2 THR 3 10.372 -5.724 1.983 18 2HG2 THR 3 2HG2 THR 3 10.550 -7.296 2.767 19 3HG2 THR 3 3HG2 THR 3 11.715 -6.784 1.545 20 H ALA 4 H ALA 4 7.672 -5.418 -0.769 21 HA ALA 4 HA ALA 4 5.941 -7.195 -2.232 22 1HB ALA 4 1HB ALA 4 5.163 -5.273 -3.370 23 2HB ALA 4 2HB ALA 4 5.450 -4.744 -1.712 24 3HB ALA 4 3HB ALA 4 6.616 -4.355 -2.977 25 H VAL 5 H VAL 5 6.667 -5.574 -4.731 26 HA VAL 5 HA VAL 5 8.695 -7.445 -5.668 27 HB VAL 5 HB VAL 5 8.170 -6.577 -7.934 28 1HG1 VAL 5 1HG1 VAL 5 5.979 -7.591 -8.121 29 2HG1 VAL 5 2HG1 VAL 5 6.983 -8.514 -7.003 30 3HG1 VAL 5 3HG1 VAL 5 5.731 -7.437 -6.383 31 1HG2 VAL 5 1HG2 VAL 5 7.500 -4.301 -7.319 32 2HG2 VAL 5 2HG2 VAL 5 6.235 -5.101 -8.250 33 3HG2 VAL 5 3HG2 VAL 5 6.072 -4.934 -6.502 34 H2 A2G 7 H2 A2G 7 3.356 -3.187 2.771 35 H4 A2G 7 H4 A2G 7 2.195 -1.955 6.506 36 H5 A2G 7 H5 A2G 7 2.391 -4.374 6.498 37 H1 A2G 7 H1 A2G 7 2.841 -5.486 3.209 38 H3 A2G 7 H3 A2G 7 4.239 -2.513 5.580 39 HO4 A2G 7 HO4 A2G 7 0.848 -2.151 3.929 40 1H6 A2G 7 1H6 A2G 7 -0.095 -3.016 6.757 41 2H6 A2G 7 2H6 A2G 7 -0.447 -4.448 5.796 42 HN2 A2G 7 HN2 A2G 7 5.528 -4.361 4.376 43 1H8 A2G 7 1H8 A2G 7 7.472 -4.266 3.567 44 2H8 A2G 7 2H8 A2G 7 7.508 -4.333 1.796 45 3H8 A2G 7 3H8 A2G 7 7.856 -2.810 2.632 46 H2 A2G 10 H2 A2G 10 3.861 -9.946 -0.303 47 H4 A2G 10 H4 A2G 10 1.882 -12.386 2.323 48 H5 A2G 10 H5 A2G 10 4.112 -12.164 3.056 49 H1 A2G 10 H1 A2G 10 5.961 -10.206 0.901 50 H3 A2G 10 H3 A2G 10 2.211 -10.119 2.250 51 HO4 A2G 10 HO4 A2G 10 2.614 -12.580 -0.479 52 1H6 A2G 10 1H6 A2G 10 3.997 -14.571 1.161 53 2H6 A2G 10 2H6 A2G 10 5.195 -14.338 2.404 54 HN2 A2G 10 HN2 A2G 10 3.739 -8.273 2.133 55 1H8 A2G 10 1H8 A2G 10 4.564 -5.513 0.162 56 2H8 A2G 10 2H8 A2G 10 2.933 -5.779 0.803 57 3H8 A2G 10 3H8 A2G 10 4.350 -6.164 1.796 58 H2 A2G 13 H2 A2G 13 11.611 -11.025 -1.021 59 H4 A2G 13 H4 A2G 13 11.707 -11.675 3.024 60 H5 A2G 13 H5 A2G 13 11.219 -9.366 2.634 61 H1 A2G 13 H1 A2G 13 11.364 -8.613 -0.741 62 H3 A2G 13 H3 A2G 13 10.011 -11.598 1.487 63 HO4 A2G 13 HO4 A2G 13 13.740 -11.573 0.945 64 1H6 A2G 13 1H6 A2G 13 13.701 -10.197 3.700 65 2H6 A2G 13 2H6 A2G 13 14.088 -8.815 2.680 66 HN2 A2G 13 HN2 A2G 13 8.818 -10.667 -0.154 67 1H8 A2G 13 1H8 A2G 13 7.326 -10.612 -1.689 68 2H8 A2G 13 2H8 A2G 13 7.788 -10.313 -3.372 69 3H8 A2G 13 3H8 A2G 13 7.673 -11.974 -2.768 Start of MODEL 53 1 1H ACE 0 1H ACE 0 14.475 18.500 -7.824 2 2H ACE 0 2H ACE 0 15.290 19.973 -7.289 3 3H ACE 0 3H ACE 0 14.534 19.911 -8.884 4 H SER 1 H SER 1 13.666 19.152 -5.560 5 HA SER 1 HA SER 1 10.949 20.059 -5.909 6 1HB SER 1 1HB SER 1 10.600 19.311 -3.629 7 2HB SER 1 2HB SER 1 11.545 18.092 -4.486 8 H THR 2 H THR 2 10.059 21.417 -3.952 9 HA THR 2 HA THR 2 11.582 23.912 -3.965 10 HB THR 2 HB THR 2 9.375 24.804 -2.969 11 1HG2 THR 2 1HG2 THR 2 8.825 23.642 -5.645 12 2HG2 THR 2 2HG2 THR 2 8.508 25.263 -5.025 13 3HG2 THR 2 3HG2 THR 2 10.148 24.797 -5.476 14 H THR 3 H THR 3 10.592 25.164 -1.713 15 HA THR 3 HA THR 3 11.967 23.693 0.412 16 HB THR 3 HB THR 3 11.978 26.033 1.463 17 1HG2 THR 3 1HG2 THR 3 13.306 26.121 -1.205 18 2HG2 THR 3 2HG2 THR 3 13.887 26.709 0.354 19 3HG2 THR 3 3HG2 THR 3 13.858 24.977 0.020 20 H ALA 4 H ALA 4 11.108 24.378 2.666 21 HA ALA 4 HA ALA 4 8.268 24.787 2.818 22 1HB ALA 4 1HB ALA 4 8.891 22.241 2.470 23 2HB ALA 4 2HB ALA 4 9.225 22.317 4.197 24 3HB ALA 4 3HB ALA 4 7.618 22.716 3.589 25 H VAL 5 H VAL 5 8.360 23.488 5.559 26 HA VAL 5 HA VAL 5 9.461 25.795 6.954 27 HB VAL 5 HB VAL 5 7.835 23.489 8.060 28 1HG1 VAL 5 1HG1 VAL 5 9.055 24.499 9.833 29 2HG1 VAL 5 2HG1 VAL 5 8.681 26.122 9.252 30 3HG1 VAL 5 3HG1 VAL 5 7.404 25.110 9.929 31 1HG2 VAL 5 1HG2 VAL 5 6.976 26.259 7.206 32 2HG2 VAL 5 2HG2 VAL 5 6.544 24.740 6.422 33 3HG2 VAL 5 3HG2 VAL 5 5.954 25.094 8.045 34 H2 A2G 7 H2 A2G 7 13.389 18.125 -0.114 35 H4 A2G 7 H4 A2G 7 15.716 16.426 -3.084 36 H5 A2G 7 H5 A2G 7 13.807 17.578 -4.038 37 H1 A2G 7 H1 A2G 7 11.525 18.391 -1.570 38 H3 A2G 7 H3 A2G 7 15.601 18.512 -2.103 39 HO4 A2G 7 HO4 A2G 7 14.004 15.338 -0.997 40 1H6 A2G 7 1H6 A2G 7 14.225 15.381 -5.034 41 2H6 A2G 7 2H6 A2G 7 13.301 14.572 -3.781 42 HN2 A2G 7 HN2 A2G 7 13.928 20.444 -1.850 43 1H8 A2G 7 1H8 A2G 7 13.558 22.470 0.746 44 2H8 A2G 7 2H8 A2G 7 15.290 22.182 0.506 45 3H8 A2G 7 3H8 A2G 7 14.210 22.302 -0.894 46 H2 A2G 10 H2 A2G 10 6.266 22.733 -0.855 47 H4 A2G 10 H4 A2G 10 5.214 21.311 -4.540 48 H5 A2G 10 H5 A2G 10 6.884 22.932 -4.851 49 H1 A2G 10 H1 A2G 10 7.868 24.296 -1.828 50 H3 A2G 10 H3 A2G 10 6.763 20.638 -2.989 51 HO4 A2G 10 HO4 A2G 10 3.855 22.939 -2.556 52 1H6 A2G 10 1H6 A2G 10 4.581 24.854 -4.801 53 2H6 A2G 10 2H6 A2G 10 5.720 24.493 -6.088 54 HN2 A2G 10 HN2 A2G 10 8.713 21.291 -1.680 55 1H8 A2G 10 1H8 A2G 10 9.035 20.074 1.505 56 2H8 A2G 10 2H8 A2G 10 9.722 20.199 -0.125 57 3H8 A2G 10 3H8 A2G 10 10.048 21.466 1.075 58 H2 A2G 13 H2 A2G 13 9.372 29.407 0.756 59 H4 A2G 13 H4 A2G 13 11.654 29.975 -2.637 60 H5 A2G 13 H5 A2G 13 12.536 28.130 -1.415 61 H1 A2G 13 H1 A2G 13 10.874 27.717 1.583 62 H3 A2G 13 H3 A2G 13 9.755 28.786 -2.170 63 HO4 A2G 13 HO4 A2G 13 11.360 31.497 -0.176 64 1H6 A2G 13 1H6 A2G 13 13.989 30.465 -1.690 65 2H6 A2G 13 2H6 A2G 13 14.182 30.139 0.031 66 HN2 A2G 13 HN2 A2G 13 8.806 27.088 -0.973 67 1H8 A2G 13 1H8 A2G 13 5.737 26.898 0.264 68 2H8 A2G 13 2H8 A2G 13 7.013 26.044 -0.621 69 3H8 A2G 13 3H8 A2G 13 6.761 25.720 1.104 Start of MODEL 54 1 1H ACE 0 1H ACE 0 46.123 -3.072 -30.917 2 2H ACE 0 2H ACE 0 45.269 -3.256 -29.382 3 3H ACE 0 3H ACE 0 46.283 -4.567 -29.991 4 H SER 1 H SER 1 46.764 -1.097 -29.790 5 HA SER 1 HA SER 1 49.425 -1.413 -28.721 6 1HB SER 1 1HB SER 1 49.628 0.980 -28.963 7 2HB SER 1 2HB SER 1 48.816 0.355 -30.399 8 H THR 2 H THR 2 50.055 0.172 -26.900 9 HA THR 2 HA THR 2 48.319 -0.423 -24.624 10 HB THR 2 HB THR 2 50.474 0.373 -23.373 11 1HG2 THR 2 1HG2 THR 2 51.658 -1.847 -24.137 12 2HG2 THR 2 2HG2 THR 2 50.220 -1.867 -23.116 13 3HG2 THR 2 3HG2 THR 2 50.076 -2.161 -24.849 14 H THR 3 H THR 3 49.396 1.616 -22.896 15 HA THR 3 HA THR 3 47.843 3.897 -23.831 16 HB THR 3 HB THR 3 48.203 4.509 -21.321 17 1HG2 THR 3 1HG2 THR 3 46.061 3.702 -22.327 18 2HG2 THR 3 2HG2 THR 3 46.568 2.061 -21.919 19 3HG2 THR 3 3HG2 THR 3 46.303 3.247 -20.639 20 H ALA 4 H ALA 4 48.693 5.877 -24.062 21 HA ALA 4 HA ALA 4 51.568 6.097 -24.032 22 1HB ALA 4 1HB ALA 4 50.280 6.908 -25.984 23 2HB ALA 4 2HB ALA 4 49.563 8.146 -24.955 24 3HB ALA 4 3HB ALA 4 51.300 8.143 -25.253 25 H VAL 5 H VAL 5 52.233 6.324 -22.026 26 HA VAL 5 HA VAL 5 51.045 8.330 -20.266 27 HB VAL 5 HB VAL 5 53.269 6.354 -19.694 28 1HG1 VAL 5 1HG1 VAL 5 52.650 6.889 -17.299 29 2HG1 VAL 5 2HG1 VAL 5 53.512 8.154 -18.178 30 3HG1 VAL 5 3HG1 VAL 5 51.768 8.279 -17.933 31 1HG2 VAL 5 1HG2 VAL 5 50.341 6.287 -18.952 32 2HG2 VAL 5 2HG2 VAL 5 51.120 5.274 -20.169 33 3HG2 VAL 5 3HG2 VAL 5 51.557 5.108 -18.466 34 H2 A2G 7 H2 A2G 7 46.630 4.492 -29.492 35 H4 A2G 7 H4 A2G 7 44.841 1.938 -32.212 36 H5 A2G 7 H5 A2G 7 46.674 0.828 -31.049 37 H1 A2G 7 H1 A2G 7 48.597 3.156 -29.356 38 H3 A2G 7 H3 A2G 7 44.634 2.292 -29.934 39 HO4 A2G 7 HO4 A2G 7 46.537 4.296 -32.469 40 1H6 A2G 7 1H6 A2G 7 46.824 0.149 -33.276 41 2H6 A2G 7 2H6 A2G 7 47.168 1.748 -33.892 42 HN2 A2G 7 HN2 A2G 7 46.003 2.168 -27.794 43 1H8 A2G 7 1H8 A2G 7 45.956 4.071 -25.130 44 2H8 A2G 7 2H8 A2G 7 44.268 3.944 -25.664 45 3H8 A2G 7 3H8 A2G 7 45.357 2.554 -25.830 46 H2 A2G 10 H2 A2G 10 53.721 2.751 -24.828 47 H4 A2G 10 H4 A2G 10 54.971 -0.620 -26.795 48 H5 A2G 10 H5 A2G 10 53.065 -1.160 -25.468 49 H1 A2G 10 H1 A2G 10 52.041 1.522 -23.564 50 H3 A2G 10 H3 A2G 10 53.376 0.988 -27.271 51 HO4 A2G 10 HO4 A2G 10 56.065 1.044 -24.676 52 1H6 A2G 10 1H6 A2G 10 55.496 -1.666 -23.687 53 2H6 A2G 10 2H6 A2G 10 54.007 -2.575 -23.707 54 HN2 A2G 10 HN2 A2G 10 51.409 2.193 -26.583 55 1H8 A2G 10 1H8 A2G 10 50.581 3.930 -27.591 56 2H8 A2G 10 2H8 A2G 10 50.035 4.808 -26.151 57 3H8 A2G 10 3H8 A2G 10 51.180 5.568 -27.272 58 H2 A2G 13 H2 A2G 13 50.904 2.613 -18.374 59 H4 A2G 13 H4 A2G 13 48.107 -0.418 -18.526 60 H5 A2G 13 H5 A2G 13 47.373 1.360 -19.923 61 H1 A2G 13 H1 A2G 13 49.509 4.067 -19.727 62 H3 A2G 13 H3 A2G 13 50.005 0.050 -19.705 63 HO4 A2G 13 HO4 A2G 13 48.883 1.476 -16.459 64 1H6 A2G 13 1H6 A2G 13 46.018 0.742 -17.583 65 2H6 A2G 13 2H6 A2G 13 46.085 2.500 -17.509 66 HN2 A2G 13 HN2 A2G 13 51.128 1.511 -21.108 67 1H8 A2G 13 1H8 A2G 13 53.094 3.274 -22.240 68 2H8 A2G 13 2H8 A2G 13 54.427 2.775 -21.184 69 3H8 A2G 13 3H8 A2G 13 53.306 1.563 -21.828 Start of MODEL 55 1 1H ACE 0 1H ACE 0 20.964 -10.723 26.016 2 2H ACE 0 2H ACE 0 22.064 -11.210 24.723 3 3H ACE 0 3H ACE 0 22.505 -11.489 26.410 4 H SER 1 H SER 1 19.966 -12.169 24.078 5 HA SER 1 HA SER 1 20.042 -15.007 24.629 6 1HB SER 1 1HB SER 1 17.437 -14.892 25.026 7 2HB SER 1 2HB SER 1 18.546 -14.632 26.376 8 H THR 2 H THR 2 18.400 -16.194 23.271 9 HA THR 2 HA THR 2 18.269 -14.924 20.640 10 HB THR 2 HB THR 2 17.605 -17.330 19.968 11 1HG2 THR 2 1HG2 THR 2 19.702 -17.605 19.343 12 2HG2 THR 2 2HG2 THR 2 20.108 -16.162 20.274 13 3HG2 THR 2 3HG2 THR 2 20.247 -17.759 21.015 14 H THR 3 H THR 3 16.233 -16.338 19.451 15 HA THR 3 HA THR 3 13.870 -15.171 20.717 16 HB THR 3 HB THR 3 12.930 -15.626 18.359 17 1HG2 THR 3 1HG2 THR 3 14.061 -13.423 19.241 18 2HG2 THR 3 2HG2 THR 3 15.321 -13.889 18.095 19 3HG2 THR 3 3HG2 THR 3 13.668 -13.627 17.532 20 H ALA 4 H ALA 4 11.987 -16.417 20.997 21 HA ALA 4 HA ALA 4 12.489 -19.224 21.375 22 1HB ALA 4 1HB ALA 4 9.855 -17.877 21.897 23 2HB ALA 4 2HB ALA 4 10.587 -19.247 22.733 24 3HB ALA 4 3HB ALA 4 11.226 -17.621 22.974 25 H VAL 5 H VAL 5 9.509 -19.696 20.961 26 HA VAL 5 HA VAL 5 9.728 -20.416 18.146 27 HB VAL 5 HB VAL 5 7.542 -21.137 20.117 28 1HG1 VAL 5 1HG1 VAL 5 7.122 -22.985 18.476 29 2HG1 VAL 5 2HG1 VAL 5 6.733 -21.367 17.889 30 3HG1 VAL 5 3HG1 VAL 5 8.218 -22.164 17.366 31 1HG2 VAL 5 1HG2 VAL 5 9.666 -22.031 20.882 32 2HG2 VAL 5 2HG2 VAL 5 8.671 -23.338 20.241 33 3HG2 VAL 5 3HG2 VAL 5 9.999 -22.688 19.281 34 H2 A2G 7 H2 A2G 7 14.521 -11.913 25.548 35 H4 A2G 7 H4 A2G 7 17.056 -9.561 27.746 36 H5 A2G 7 H5 A2G 7 18.096 -11.707 27.427 37 H1 A2G 7 H1 A2G 7 15.860 -13.895 25.882 38 H3 A2G 7 H3 A2G 7 16.853 -9.992 25.498 39 HO4 A2G 7 HO4 A2G 7 14.579 -10.945 28.389 40 1H6 A2G 7 1H6 A2G 7 18.317 -12.302 29.656 41 2H6 A2G 7 2H6 A2G 7 17.453 -10.791 29.890 42 HN2 A2G 7 HN2 A2G 7 16.807 -11.469 23.738 43 1H8 A2G 7 1H8 A2G 7 14.853 -12.809 21.111 44 2H8 A2G 7 2H8 A2G 7 15.359 -11.126 21.346 45 3H8 A2G 7 3H8 A2G 7 16.499 -12.447 21.662 46 H2 A2G 10 H2 A2G 10 16.056 -20.616 22.184 47 H4 A2G 10 H4 A2G 10 19.711 -20.988 23.960 48 H5 A2G 10 H5 A2G 10 19.829 -19.238 22.318 49 H1 A2G 10 H1 A2G 10 16.863 -19.035 20.528 50 H3 A2G 10 H3 A2G 10 17.928 -19.565 24.333 51 HO4 A2G 10 HO4 A2G 10 18.192 -22.593 22.059 52 1H6 A2G 10 1H6 A2G 10 21.092 -21.795 21.881 53 2H6 A2G 10 2H6 A2G 10 20.674 -21.117 20.311 54 HN2 A2G 10 HN2 A2G 10 16.309 -17.929 23.384 55 1H8 A2G 10 1H8 A2G 10 14.409 -17.451 24.716 56 2H8 A2G 10 2H8 A2G 10 13.731 -17.041 23.130 57 3H8 A2G 10 3H8 A2G 10 12.860 -18.148 24.207 58 H2 A2G 13 H2 A2G 13 14.235 -18.198 15.164 59 H4 A2G 13 H4 A2G 13 17.586 -15.800 14.906 60 H5 A2G 13 H5 A2G 13 16.084 -14.870 16.515 61 H1 A2G 13 H1 A2G 13 13.115 -16.632 16.608 62 H3 A2G 13 H3 A2G 13 17.014 -17.618 16.186 63 HO4 A2G 13 HO4 A2G 13 15.355 -16.302 13.107 64 1H6 A2G 13 1H6 A2G 13 16.630 -13.548 14.152 65 2H6 A2G 13 2H6 A2G 13 14.874 -13.410 14.233 66 HN2 A2G 13 HN2 A2G 13 15.622 -18.526 17.745 67 1H8 A2G 13 1H8 A2G 13 13.451 -20.431 19.025 68 2H8 A2G 13 2H8 A2G 13 14.288 -21.624 18.019 69 3H8 A2G 13 3H8 A2G 13 15.207 -20.330 18.806 Start of MODEL 56 1 1H ACE 0 1H ACE 0 26.969 22.410 -0.205 2 2H ACE 0 2H ACE 0 27.953 21.314 -1.179 3 3H ACE 0 3H ACE 0 28.472 22.984 -0.933 4 H SER 1 H SER 1 29.390 23.606 0.925 5 HA SER 1 HA SER 1 29.689 21.842 3.183 6 1HB SER 1 1HB SER 1 31.983 21.410 3.042 7 2HB SER 1 2HB SER 1 31.444 21.199 1.379 8 H THR 2 H THR 2 30.507 22.842 5.008 9 HA THR 2 HA THR 2 30.483 25.767 4.877 10 HB THR 2 HB THR 2 30.333 25.466 7.454 11 1HG2 THR 2 1HG2 THR 2 28.426 26.056 5.924 12 2HG2 THR 2 2HG2 THR 2 28.021 24.339 5.923 13 3HG2 THR 2 3HG2 THR 2 28.002 25.249 7.433 14 H THR 3 H THR 3 31.910 26.118 7.406 15 HA THR 3 HA THR 3 34.633 25.816 6.402 16 HB THR 3 HB THR 3 35.026 27.462 8.396 17 1HG2 THR 3 1HG2 THR 3 34.483 29.387 7.076 18 2HG2 THR 3 2HG2 THR 3 35.112 28.128 6.012 19 3HG2 THR 3 3HG2 THR 3 33.376 28.441 6.079 20 H ALA 4 H ALA 4 36.234 24.829 7.607 21 HA ALA 4 HA ALA 4 35.298 22.976 9.592 22 1HB ALA 4 1HB ALA 4 36.845 22.189 7.870 23 2HB ALA 4 2HB ALA 4 38.068 23.324 8.443 24 3HB ALA 4 3HB ALA 4 37.531 22.003 9.482 25 H VAL 5 H VAL 5 34.931 23.896 11.432 26 HA VAL 5 HA VAL 5 36.786 25.806 12.610 27 HB VAL 5 HB VAL 5 34.309 26.178 12.698 28 1HG1 VAL 5 1HG1 VAL 5 33.702 23.803 13.110 29 2HG1 VAL 5 2HG1 VAL 5 34.305 23.979 14.759 30 3HG1 VAL 5 3HG1 VAL 5 32.930 24.939 14.215 31 1HG2 VAL 5 1HG2 VAL 5 35.507 25.931 15.455 32 2HG2 VAL 5 2HG2 VAL 5 35.977 27.183 14.305 33 3HG2 VAL 5 3HG2 VAL 5 34.316 27.101 14.891 34 H2 A2G 7 H2 A2G 7 35.193 23.581 0.090 35 H4 A2G 7 H4 A2G 7 31.785 24.543 -2.005 36 H5 A2G 7 H5 A2G 7 31.197 23.118 -0.149 37 H1 A2G 7 H1 A2G 7 34.100 21.828 1.302 38 H3 A2G 7 H3 A2G 7 32.825 25.417 -0.152 39 HO4 A2G 7 HO4 A2G 7 33.970 22.712 -2.568 40 1H6 A2G 7 1H6 A2G 7 30.598 20.996 -1.332 41 2H6 A2G 7 2H6 A2G 7 30.208 22.417 -2.290 42 HN2 A2G 7 HN2 A2G 7 33.501 25.049 2.025 43 1H8 A2G 7 1H8 A2G 7 34.530 26.158 3.516 44 2H8 A2G 7 2H8 A2G 7 35.653 25.048 4.323 45 3H8 A2G 7 3H8 A2G 7 36.279 26.413 3.380 46 H2 A2G 10 H2 A2G 10 31.416 22.046 9.850 47 H4 A2G 10 H4 A2G 10 27.769 20.620 8.635 48 H5 A2G 10 H5 A2G 10 28.005 22.829 7.805 49 H1 A2G 10 H1 A2G 10 30.986 24.224 8.851 50 H3 A2G 10 H3 A2G 10 29.863 20.552 7.711 51 HO4 A2G 10 HO4 A2G 10 28.859 21.409 11.212 52 1H6 A2G 10 1H6 A2G 10 26.133 22.292 9.745 53 2H6 A2G 10 2H6 A2G 10 26.926 23.699 10.447 54 HN2 A2G 10 HN2 A2G 10 31.756 21.902 6.910 55 1H8 A2G 10 1H8 A2G 10 33.704 21.023 6.281 56 2H8 A2G 10 2H8 A2G 10 34.623 22.436 6.831 57 3H8 A2G 10 3H8 A2G 10 35.037 20.820 7.432 58 H2 A2G 13 H2 A2G 13 32.401 28.284 11.764 59 H4 A2G 13 H4 A2G 13 30.370 30.561 9.074 60 H5 A2G 13 H5 A2G 13 32.369 29.847 8.016 61 H1 A2G 13 H1 A2G 13 34.218 27.842 10.191 62 H3 A2G 13 H3 A2G 13 30.326 28.330 9.556 63 HO4 A2G 13 HO4 A2G 13 31.895 31.223 11.456 64 1H6 A2G 13 1H6 A2G 13 33.901 31.806 8.138 65 2H6 A2G 13 2H6 A2G 13 32.222 32.313 8.067 66 HN2 A2G 13 HN2 A2G 13 31.708 26.175 9.823 67 1H8 A2G 13 1H8 A2G 13 31.906 24.067 10.967 68 2H8 A2G 13 2H8 A2G 13 31.281 24.009 12.624 69 3H8 A2G 13 3H8 A2G 13 30.206 24.449 11.288 Start of MODEL 57 1 1H ACE 0 1H ACE 0 8.152 28.450 -20.992 2 2H ACE 0 2H ACE 0 7.748 27.007 -20.057 3 3H ACE 0 3H ACE 0 7.792 26.934 -21.821 4 H SER 1 H SER 1 9.882 28.169 -19.274 5 HA SER 1 HA SER 1 12.007 26.317 -19.868 6 1HB SER 1 1HB SER 1 13.615 27.837 -20.656 7 2HB SER 1 2HB SER 1 12.154 28.293 -21.532 8 H THR 2 H THR 2 13.601 26.252 -18.317 9 HA THR 2 HA THR 2 12.906 27.573 -15.797 10 HB THR 2 HB THR 2 14.554 25.818 -14.872 11 1HG2 THR 2 1HG2 THR 2 12.922 24.280 -14.558 12 2HG2 THR 2 2HG2 THR 2 11.952 25.675 -15.026 13 3HG2 THR 2 3HG2 THR 2 12.316 24.417 -16.208 14 H THR 3 H THR 3 15.549 27.190 -14.623 15 HA THR 3 HA THR 3 16.894 29.489 -15.825 16 HB THR 3 HB THR 3 18.179 29.333 -13.588 17 1HG2 THR 3 1HG2 THR 3 16.087 30.822 -14.199 18 2HG2 THR 3 2HG2 THR 3 15.305 29.790 -13.002 19 3HG2 THR 3 3HG2 THR 3 16.719 30.745 -12.554 20 H ALA 4 H ALA 4 19.095 29.427 -16.341 21 HA ALA 4 HA ALA 4 20.078 26.798 -16.986 22 1HB ALA 4 1HB ALA 4 20.177 28.853 -18.515 23 2HB ALA 4 2HB ALA 4 21.515 29.394 -17.502 24 3HB ALA 4 3HB ALA 4 21.638 27.874 -18.391 25 H VAL 5 H VAL 5 22.896 27.974 -16.752 26 HA VAL 5 HA VAL 5 23.341 27.038 -14.029 27 HB VAL 5 HB VAL 5 25.768 27.113 -14.638 28 1HG1 VAL 5 1HG1 VAL 5 24.036 25.507 -16.512 29 2HG1 VAL 5 2HG1 VAL 5 25.710 25.159 -16.078 30 3HG1 VAL 5 3HG1 VAL 5 24.442 25.065 -14.855 31 1HG2 VAL 5 1HG2 VAL 5 24.758 27.709 -17.426 32 2HG2 VAL 5 2HG2 VAL 5 25.575 28.872 -16.382 33 3HG2 VAL 5 3HG2 VAL 5 26.431 27.437 -16.945 34 H2 A2G 7 H2 A2G 7 13.341 32.681 -20.594 35 H4 A2G 7 H4 A2G 7 9.335 31.632 -20.507 36 H5 A2G 7 H5 A2G 7 10.582 29.678 -20.846 37 H1 A2G 7 H1 A2G 7 13.945 30.470 -21.288 38 H3 A2G 7 H3 A2G 7 10.933 32.026 -18.957 39 HO4 A2G 7 HO4 A2G 7 10.871 32.989 -22.574 40 1H6 A2G 7 1H6 A2G 7 9.836 29.000 -22.978 41 2H6 A2G 7 2H6 A2G 7 8.819 30.399 -22.687 42 HN2 A2G 7 HN2 A2G 7 12.827 31.083 -18.157 43 1H8 A2G 7 1H8 A2G 7 15.916 31.338 -17.088 44 2H8 A2G 7 2H8 A2G 7 15.072 32.775 -16.485 45 3H8 A2G 7 3H8 A2G 7 14.219 31.225 -16.583 46 H2 A2G 10 H2 A2G 10 17.698 23.609 -16.812 47 H4 A2G 10 H4 A2G 10 14.610 21.334 -18.255 48 H5 A2G 10 H5 A2G 10 13.712 22.937 -16.760 49 H1 A2G 10 H1 A2G 10 16.207 24.847 -15.346 50 H3 A2G 10 H3 A2G 10 15.645 23.244 -18.993 51 HO4 A2G 10 HO4 A2G 10 16.815 20.787 -16.452 52 1H6 A2G 10 1H6 A2G 10 14.343 20.823 -14.710 53 2H6 A2G 10 2H6 A2G 10 12.837 21.629 -15.050 54 HN2 A2G 10 HN2 A2G 10 16.142 25.607 -18.330 55 1H8 A2G 10 1H8 A2G 10 17.544 26.690 -19.935 56 2H8 A2G 10 2H8 A2G 10 17.936 27.628 -18.483 57 3H8 A2G 10 3H8 A2G 10 19.237 26.936 -19.469 58 H2 A2G 13 H2 A2G 13 18.589 25.970 -10.837 59 H4 A2G 13 H4 A2G 13 14.835 27.142 -9.626 60 H5 A2G 13 H5 A2G 13 15.603 28.644 -11.288 61 H1 A2G 13 H1 A2G 13 18.815 27.900 -12.284 62 H3 A2G 13 H3 A2G 13 15.603 25.692 -11.212 63 HO4 A2G 13 HO4 A2G 13 17.428 27.151 -8.314 64 1H6 A2G 13 1H6 A2G 13 15.141 29.601 -8.823 65 2H6 A2G 13 2H6 A2G 13 16.834 30.068 -8.947 66 HN2 A2G 13 HN2 A2G 13 17.042 25.590 -13.324 67 1H8 A2G 13 1H8 A2G 13 18.554 24.089 -14.760 68 2H8 A2G 13 2H8 A2G 13 18.959 22.613 -13.865 69 3H8 A2G 13 3H8 A2G 13 17.272 23.140 -13.985 Start of MODEL 58 1 1H ACE 0 1H ACE 0 -12.358 3.171 -10.814 2 2H ACE 0 2H ACE 0 -11.577 2.219 -12.080 3 3H ACE 0 3H ACE 0 -10.618 3.311 -11.078 4 H SER 1 H SER 1 -13.091 0.879 -10.463 5 HA SER 1 HA SER 1 -11.674 -0.147 -8.167 6 1HB SER 1 1HB SER 1 -13.596 -1.544 -7.805 7 2HB SER 1 2HB SER 1 -14.186 0.041 -8.300 8 H THR 2 H THR 2 -10.884 -2.247 -7.902 9 HA THR 2 HA THR 2 -9.959 -3.466 -10.396 10 HB THR 2 HB THR 2 -8.446 -4.772 -8.823 11 1HG2 THR 2 1HG2 THR 2 -7.973 -1.863 -8.398 12 2HG2 THR 2 2HG2 THR 2 -6.827 -3.152 -8.769 13 3HG2 THR 2 3HG2 THR 2 -7.897 -2.535 -10.028 14 H THR 3 H THR 3 -9.420 -5.997 -9.702 15 HA THR 3 HA THR 3 -12.081 -7.196 -9.387 16 HB THR 3 HB THR 3 -10.889 -9.179 -10.490 17 1HG2 THR 3 1HG2 THR 3 -10.871 -8.202 -12.735 18 2HG2 THR 3 2HG2 THR 3 -12.316 -7.745 -11.832 19 3HG2 THR 3 3HG2 THR 3 -10.993 -6.592 -12.024 20 H ALA 4 H ALA 4 -11.756 -9.641 -8.616 21 HA ALA 4 HA ALA 4 -9.776 -9.951 -6.551 22 1HB ALA 4 1HB ALA 4 -11.957 -8.666 -5.716 23 2HB ALA 4 2HB ALA 4 -12.567 -10.312 -5.575 24 3HB ALA 4 3HB ALA 4 -11.116 -9.829 -4.695 25 H VAL 5 H VAL 5 -11.612 -11.991 -5.267 26 HA VAL 5 HA VAL 5 -11.933 -13.981 -7.370 27 HB VAL 5 HB VAL 5 -10.188 -14.515 -4.947 28 1HG1 VAL 5 1HG1 VAL 5 -11.088 -16.265 -7.224 29 2HG1 VAL 5 2HG1 VAL 5 -9.713 -16.660 -6.191 30 3HG1 VAL 5 3HG1 VAL 5 -11.327 -16.514 -5.495 31 1HG2 VAL 5 1HG2 VAL 5 -9.475 -14.152 -7.860 32 2HG2 VAL 5 2HG2 VAL 5 -8.945 -13.167 -6.496 33 3HG2 VAL 5 3HG2 VAL 5 -8.382 -14.831 -6.656 34 H2 A2G 7 H2 A2G 7 -17.146 -3.024 -10.355 35 H4 A2G 7 H4 A2G 7 -16.710 0.529 -12.372 36 H5 A2G 7 H5 A2G 7 -15.167 0.508 -10.522 37 H1 A2G 7 H1 A2G 7 -15.764 -2.303 -8.531 38 H3 A2G 7 H3 A2G 7 -15.649 -1.497 -12.500 39 HO4 A2G 7 HO4 A2G 7 -18.752 -0.475 -10.560 40 1H6 A2G 7 1H6 A2G 7 -15.999 2.329 -9.287 41 2H6 A2G 7 2H6 A2G 7 -17.039 2.384 -10.705 42 HN2 A2G 7 HN2 A2G 7 -14.317 -3.172 -11.211 43 1H8 A2G 7 1H8 A2G 7 -13.629 -5.084 -11.877 44 2H8 A2G 7 2H8 A2G 7 -14.054 -6.190 -10.557 45 3H8 A2G 7 3H8 A2G 7 -14.769 -6.412 -12.164 46 H2 A2G 10 H2 A2G 10 -8.866 -5.861 -4.690 47 H4 A2G 10 H4 A2G 10 -7.920 -1.988 -3.880 48 H5 A2G 10 H5 A2G 10 -7.635 -2.321 -6.219 49 H1 A2G 10 H1 A2G 10 -8.344 -5.616 -7.061 50 H3 A2G 10 H3 A2G 10 -9.888 -3.007 -4.488 51 HO4 A2G 10 HO4 A2G 10 -6.551 -4.504 -3.402 52 1H6 A2G 10 1H6 A2G 10 -5.222 -2.448 -6.527 53 2H6 A2G 10 2H6 A2G 10 -5.558 -1.524 -5.077 54 HN2 A2G 10 HN2 A2G 10 -11.058 -4.495 -6.133 55 1H8 A2G 10 1H8 A2G 10 -13.018 -5.381 -5.905 56 2H8 A2G 10 2H8 A2G 10 -12.707 -7.011 -6.540 57 3H8 A2G 10 3H8 A2G 10 -13.283 -6.800 -4.874 58 H2 A2G 13 H2 A2G 13 -6.643 -10.106 -10.255 59 H4 A2G 13 H4 A2G 13 -6.473 -7.545 -13.435 60 H5 A2G 13 H5 A2G 13 -8.745 -7.922 -12.978 61 H1 A2G 13 H1 A2G 13 -9.077 -10.031 -10.232 62 H3 A2G 13 H3 A2G 13 -6.365 -7.242 -11.184 63 HO4 A2G 13 HO4 A2G 13 -5.896 -10.383 -13.173 64 1H6 A2G 13 1H6 A2G 13 -9.448 -9.081 -14.860 65 2H6 A2G 13 2H6 A2G 13 -7.743 -8.938 -15.260 66 HN2 A2G 13 HN2 A2G 13 -7.658 -7.628 -9.013 67 1H8 A2G 13 1H8 A2G 13 -5.825 -8.547 -6.089 68 2H8 A2G 13 2H8 A2G 13 -6.193 -7.103 -7.049 69 3H8 A2G 13 3H8 A2G 13 -7.506 -8.149 -6.482 Start of MODEL 59 1 1H ACE 0 1H ACE 0 16.400 23.184 -33.186 2 2H ACE 0 2H ACE 0 17.502 22.315 -32.113 3 3H ACE 0 3H ACE 0 16.884 21.530 -33.569 4 H SER 1 H SER 1 18.380 24.607 -32.731 5 HA SER 1 HA SER 1 19.906 24.680 -35.180 6 1HB SER 1 1HB SER 1 20.602 26.866 -34.504 7 2HB SER 1 2HB SER 1 18.903 26.716 -34.051 8 H THR 2 H THR 2 22.277 25.535 -34.837 9 HA THR 2 HA THR 2 23.667 23.439 -33.346 10 HB THR 2 HB THR 2 25.645 24.345 -34.739 11 1HG2 THR 2 1HG2 THR 2 25.264 22.815 -36.333 12 2HG2 THR 2 2HG2 THR 2 23.908 22.371 -35.295 13 3HG2 THR 2 3HG2 THR 2 23.647 23.426 -36.685 14 H THR 3 H THR 3 26.169 24.700 -33.140 15 HA THR 3 HA THR 3 25.703 26.517 -30.906 16 HB THR 3 HB THR 3 28.241 25.928 -30.602 17 1HG2 THR 3 1HG2 THR 3 27.710 23.944 -29.364 18 2HG2 THR 3 2HG2 THR 3 26.387 25.092 -29.162 19 3HG2 THR 3 3HG2 THR 3 26.212 23.731 -30.273 20 H ALA 4 H ALA 4 26.650 28.520 -30.810 21 HA ALA 4 HA ALA 4 27.525 29.606 -33.332 22 1HB ALA 4 1HB ALA 4 27.154 31.058 -30.720 23 2HB ALA 4 2HB ALA 4 27.337 31.770 -32.322 24 3HB ALA 4 3HB ALA 4 25.895 30.833 -31.933 25 H VAL 5 H VAL 5 29.500 28.938 -33.725 26 HA VAL 5 HA VAL 5 31.655 30.116 -32.175 27 HB VAL 5 HB VAL 5 31.482 27.952 -31.108 28 1HG1 VAL 5 1HG1 VAL 5 31.904 26.640 -33.781 29 2HG1 VAL 5 2HG1 VAL 5 31.550 25.869 -32.235 30 3HG1 VAL 5 3HG1 VAL 5 30.319 26.845 -33.038 31 1HG2 VAL 5 1HG2 VAL 5 33.721 27.201 -31.343 32 2HG2 VAL 5 2HG2 VAL 5 33.814 27.770 -33.010 33 3HG2 VAL 5 3HG2 VAL 5 33.749 28.931 -31.684 34 H2 A2G 7 H2 A2G 7 20.906 29.079 -30.410 35 H4 A2G 7 H4 A2G 7 16.922 27.996 -30.292 36 H5 A2G 7 H5 A2G 7 18.044 26.981 -32.207 37 H1 A2G 7 H1 A2G 7 21.129 28.464 -32.699 38 H3 A2G 7 H3 A2G 7 18.887 27.039 -29.569 39 HO4 A2G 7 HO4 A2G 7 18.260 30.476 -31.017 40 1H6 A2G 7 1H6 A2G 7 16.930 28.286 -34.102 41 2H6 A2G 7 2H6 A2G 7 15.878 27.789 -32.805 42 HN2 A2G 7 HN2 A2G 7 21.071 26.143 -30.509 43 1H8 A2G 7 1H8 A2G 7 23.987 26.077 -29.521 44 2H8 A2G 7 2H8 A2G 7 23.274 26.143 -27.899 45 3H8 A2G 7 3H8 A2G 7 22.473 25.219 -29.182 46 H2 A2G 10 H2 A2G 10 26.193 28.185 -36.601 47 H4 A2G 10 H4 A2G 10 23.602 26.867 -39.484 48 H5 A2G 10 H5 A2G 10 23.993 25.092 -37.927 49 H1 A2G 10 H1 A2G 10 26.361 25.980 -35.587 50 H3 A2G 10 H3 A2G 10 23.302 27.821 -37.411 51 HO4 A2G 10 HO4 A2G 10 26.441 27.489 -39.467 52 1H6 A2G 10 1H6 A2G 10 24.886 24.926 -40.565 53 2H6 A2G 10 2H6 A2G 10 26.267 24.329 -39.656 54 HN2 A2G 10 HN2 A2G 10 23.778 27.625 -34.989 55 1H8 A2G 10 1H8 A2G 10 24.567 29.089 -32.616 56 2H8 A2G 10 2H8 A2G 10 24.252 30.675 -33.343 57 3H8 A2G 10 3H8 A2G 10 23.157 29.320 -33.667 58 H2 A2G 13 H2 A2G 13 30.960 23.270 -32.924 59 H4 A2G 13 H4 A2G 13 27.935 20.496 -32.564 60 H5 A2G 13 H5 A2G 13 27.372 22.433 -31.310 61 H1 A2G 13 H1 A2G 13 29.914 24.749 -31.311 62 H3 A2G 13 H3 A2G 13 28.371 22.198 -34.030 63 HO4 A2G 13 HO4 A2G 13 30.669 20.587 -31.592 64 1H6 A2G 13 1H6 A2G 13 28.875 20.924 -29.165 65 2H6 A2G 13 2H6 A2G 13 27.258 21.596 -29.132 66 HN2 A2G 13 HN2 A2G 13 28.689 24.701 -34.149 67 1H8 A2G 13 1H8 A2G 13 29.270 25.256 -36.499 68 2H8 A2G 13 2H8 A2G 13 29.861 26.591 -35.493 69 3H8 A2G 13 3H8 A2G 13 30.940 25.828 -36.675
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