NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1793 | 1ay3 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN 2AS 1 HN 2AS 1 2.293 0.070 2.504 2 HB 2AS 1 HB 2AS 1 -0.211 -2.502 2.762 3 HA 2AS 1 HA 2AS 1 0.651 -0.865 4.732 4 1HBB 2AS 1 1HBB 2AS 1 0.893 -3.388 4.729 5 2HBB 2AS 1 2HBB 2AS 1 2.505 -2.967 4.097 6 3HBB 2AS 1 3HBB 2AS 1 1.509 -4.192 3.260 7 H ARG 2 HN ARG 2 -0.141 -2.479 0.480 8 HA ARG 2 HA ARG 2 2.301 -1.448 -0.790 9 1HB ARG 2 2HB ARG 2 0.801 -3.999 -1.605 10 2HB ARG 2 1HB ARG 2 1.879 -3.109 -2.697 11 1HG ARG 2 1HG ARG 2 2.727 -4.495 -0.080 12 2HG ARG 2 2HG ARG 2 2.986 -5.110 -1.709 13 1HD ARG 2 1HD ARG 2 4.283 -2.594 -0.507 14 2HD ARG 2 2HD ARG 2 5.065 -4.143 -0.822 15 HE ARG 2 HE ARG 2 4.168 -3.255 -3.372 16 1HH1 ARG 2 2HH2 ARG 2 6.449 -1.887 -0.835 17 2HH1 ARG 2 1HH2 ARG 2 7.348 -1.002 -2.003 18 1HH2 ARG 2 2HH1 ARG 2 5.387 -2.059 -4.937 19 2HH2 ARG 2 1HH1 ARG 2 6.721 -1.103 -4.424 20 H GLU 4 HN GLU 4 2.453 3.029 -0.467 21 HA GLU 4 HA GLU 4 4.071 1.368 -2.327 22 1HB GLU 4 2HB GLU 4 4.011 0.307 -0.193 23 2HB GLU 4 1HB GLU 4 5.615 0.965 -0.465 24 1HG GLU 4 2HG GLU 4 5.146 2.784 1.244 25 2HG GLU 4 1HG GLU 4 3.502 2.147 1.439 26 1HM MDH 5 1HM MDH 5 4.719 -0.024 5.444 27 2HM MDH 5 2HM MDH 5 6.259 -0.085 4.552 28 3HM MDH 5 3HM MDH 5 4.887 -1.125 4.049 29 HB MDH 5 HB MDH 5 2.839 3.699 4.496 30 1HG MDH 5 1HG MDH 5 5.801 3.404 3.645 31 2HG MDH 5 2HG MDH 5 5.132 4.531 4.840 32 3HG MDH 5 3HG MDH 5 4.698 4.693 3.118 33 1HN3 MFD 3 1HN3 MFD 3 0.589 0.314 -0.154 34 H2 MFD 3 H2 MFD 3 0.239 2.860 -0.687 35 H3 MFD 3 H3 MFD 3 -0.751 0.818 -2.725 36 1HM2 MFD 3 1HM2 MFD 3 -1.354 3.845 -2.296 37 2HM2 MFD 3 2HM2 MFD 3 0.298 4.419 -2.634 38 3HM2 MFD 3 3HM2 MFD 3 -0.444 3.172 -3.674 39 H7 MFD 3 H7 MFD 3 -5.486 0.357 -2.397 40 H5 MFD 3 H5 MFD 3 -3.163 0.928 -2.713 41 H4 MFD 3 H4 MFD 3 -1.945 1.691 -0.014 42 1H' MFD 3 1H' MFD 3 -7.388 -1.937 0.390 43 2H' MFD 3 2H' MFD 3 -6.534 -0.504 0.933 44 H9 MFD 3 H9 MFD 3 -7.481 -0.817 -1.980 45 H8 MFD 3 H8 MFD 3 -7.118 1.557 -0.108 46 H4' MFD 3 H4' MFD 3 -2.151 -3.501 -1.652 47 H3' MFD 3 H3' MFD 3 -2.146 -2.031 0.358 48 H2' MFD 3 H2' MFD 3 -4.226 -0.948 1.110 49 H6' MFD 3 H6' MFD 3 -6.364 -2.804 -2.119 50 H5' MFD 3 H5' MFD 3 -4.282 -3.872 -2.889 51 1HM9 MFD 3 1HM9 MFD 3 -9.317 1.217 0.541 52 2HM9 MFD 3 2HM9 MFD 3 -10.570 -0.049 0.429 53 3HM9 MFD 3 3HM9 MFD 3 -9.063 -0.372 1.330 54 1HM8 MFD 3 1HM8 MFD 3 -7.334 3.073 -2.101 55 2HM8 MFD 3 2HM8 MFD 3 -8.844 2.196 -1.797 56 3HM8 MFD 3 3HM8 MFD 3 -7.775 1.681 -3.121 57 1HM6 MFD 3 1HM6 MFD 3 -3.678 2.979 0.502 58 2HM6 MFD 3 2HM6 MFD 3 -4.778 1.750 1.170 59 3HM6 MFD 3 3HM6 MFD 3 -5.420 3.107 0.215 Start of MODEL 2 1 HN 2AS 1 HN 2AS 1 2.567 0.060 2.600 2 HB 2AS 1 HB 2AS 1 -0.382 -2.150 2.823 3 HA 2AS 1 HA 2AS 1 0.571 -0.620 4.670 4 1HBB 2AS 1 1HBB 2AS 1 0.719 -3.172 4.733 5 2HBB 2AS 1 2HBB 2AS 1 2.325 -2.993 3.983 6 3HBB 2AS 1 3HBB 2AS 1 1.103 -4.060 3.234 7 H ARG 2 HN ARG 2 -0.448 -2.374 0.587 8 HA ARG 2 HA ARG 2 2.069 -2.071 -0.939 9 1HB ARG 2 2HB ARG 2 -0.062 -4.243 -1.346 10 2HB ARG 2 1HB ARG 2 1.257 -3.872 -2.479 11 1HG ARG 2 1HG ARG 2 2.949 -4.482 -0.730 12 2HG ARG 2 2HG ARG 2 1.664 -4.898 0.404 13 1HD ARG 2 1HD ARG 2 2.180 -6.317 -2.284 14 2HD ARG 2 2HD ARG 2 2.665 -6.903 -0.700 15 HE ARG 2 HE ARG 2 0.360 -7.476 -0.167 16 1HH1 ARG 2 2HH2 ARG 2 0.525 -6.111 -3.580 17 2HH1 ARG 2 1HH2 ARG 2 -1.036 -6.711 -3.976 18 1HH2 ARG 2 2HH1 ARG 2 -1.735 -8.271 -0.714 19 2HH2 ARG 2 1HH1 ARG 2 -2.368 -7.985 -2.286 20 H GLU 4 HN GLU 4 2.197 3.056 -0.317 21 HA GLU 4 HA GLU 4 4.243 2.061 -2.232 22 1HB GLU 4 2HB GLU 4 4.257 0.557 -0.374 23 2HB GLU 4 1HB GLU 4 5.714 1.539 -0.351 24 1HG GLU 4 2HG GLU 4 4.784 2.861 1.594 25 2HG GLU 4 1HG GLU 4 3.327 1.858 1.555 26 1HM MDH 5 1HM MDH 5 5.222 -0.066 5.483 27 2HM MDH 5 2HM MDH 5 6.588 -0.194 4.347 28 3HM MDH 5 3HM MDH 5 5.117 -1.188 4.098 29 HB MDH 5 HB MDH 5 3.243 3.612 4.889 30 1HG MDH 5 1HG MDH 5 6.151 3.253 3.887 31 2HG MDH 5 2HG MDH 5 5.618 4.246 5.258 32 3HG MDH 5 3HG MDH 5 5.105 4.659 3.601 33 1HN3 MFD 3 1HN3 MFD 3 0.740 0.133 -0.503 34 H2 MFD 3 H2 MFD 3 0.061 2.611 -0.796 35 H3 MFD 3 H3 MFD 3 -0.420 0.678 -3.115 36 1HM2 MFD 3 1HM2 MFD 3 -1.428 3.604 -2.503 37 2HM2 MFD 3 2HM2 MFD 3 0.182 4.360 -2.579 38 3HM2 MFD 3 3HM2 MFD 3 -0.299 3.158 -3.808 39 H7 MFD 3 H7 MFD 3 -5.034 1.740 -3.815 40 H5 MFD 3 H5 MFD 3 -2.839 0.724 -3.496 41 H4 MFD 3 H4 MFD 3 -2.077 1.247 -0.574 42 1H' MFD 3 1H' MFD 3 -5.161 3.932 -2.668 43 2H' MFD 3 2H' MFD 3 -6.411 3.948 -1.456 44 H9 MFD 3 H9 MFD 3 -8.004 3.397 -3.532 45 H8 MFD 3 H8 MFD 3 -7.255 0.974 -3.416 46 H4' MFD 3 H4' MFD 3 -7.449 9.301 -3.717 47 H3' MFD 3 H3' MFD 3 -8.997 7.926 -2.329 48 H2' MFD 3 H2' MFD 3 -8.428 5.584 -1.793 49 H6' MFD 3 H6' MFD 3 -4.770 5.951 -4.003 50 H5' MFD 3 H5' MFD 3 -5.326 8.294 -4.547 51 1HM9 MFD 3 1HM9 MFD 3 -8.209 3.243 -5.858 52 2HM9 MFD 3 2HM9 MFD 3 -6.682 2.972 -6.747 53 3HM9 MFD 3 3HM9 MFD 3 -7.347 1.677 -5.710 54 1HM8 MFD 3 1HM8 MFD 3 -7.614 0.518 -1.142 55 2HM8 MFD 3 2HM8 MFD 3 -8.678 1.830 -1.639 56 3HM8 MFD 3 3HM8 MFD 3 -7.272 2.171 -0.616 57 1HM6 MFD 3 1HM6 MFD 3 -3.982 0.516 0.171 58 2HM6 MFD 3 2HM6 MFD 3 -5.628 0.133 -0.355 59 3HM6 MFD 3 3HM6 MFD 3 -5.158 1.827 -0.043 Start of MODEL 3 1 HN 2AS 1 HN 2AS 1 2.474 0.106 2.552 2 HB 2AS 1 HB 2AS 1 -0.341 -2.243 2.840 3 HA 2AS 1 HA 2AS 1 0.578 -0.652 4.687 4 1HBB 2AS 1 1HBB 2AS 1 0.779 -3.187 4.776 5 2HBB 2AS 1 2HBB 2AS 1 2.386 -2.946 4.046 6 3HBB 2AS 1 3HBB 2AS 1 1.225 -4.080 3.297 7 H ARG 2 HN ARG 2 -0.387 -2.388 0.586 8 HA ARG 2 HA ARG 2 2.129 -1.957 -0.901 9 1HB ARG 2 2HB ARG 2 0.111 -4.223 -1.368 10 2HB ARG 2 1HB ARG 2 1.400 -3.753 -2.499 11 1HG ARG 2 1HG ARG 2 3.131 -4.294 -0.751 12 2HG ARG 2 2HG ARG 2 1.867 -4.840 0.352 13 1HD ARG 2 1HD ARG 2 2.523 -6.116 -2.377 14 2HD ARG 2 2HD ARG 2 3.016 -6.728 -0.805 15 HE ARG 2 HE ARG 2 0.738 -7.467 -0.342 16 1HH1 ARG 2 2HH2 ARG 2 0.911 -6.020 -3.720 17 2HH1 ARG 2 1HH2 ARG 2 -0.577 -6.743 -4.188 18 1HH2 ARG 2 2HH1 ARG 2 -1.256 -8.428 -0.985 19 2HH2 ARG 2 1HH1 ARG 2 -1.854 -8.162 -2.574 20 H GLU 4 HN GLU 4 2.244 3.117 -0.367 21 HA GLU 4 HA GLU 4 4.244 2.011 -2.269 22 1HB GLU 4 2HB GLU 4 4.210 0.526 -0.395 23 2HB GLU 4 1HB GLU 4 5.700 1.457 -0.382 24 1HG GLU 4 2HG GLU 4 4.811 2.834 1.549 25 2HG GLU 4 1HG GLU 4 3.324 1.872 1.520 26 1HM MDH 5 1HM MDH 5 5.101 -0.115 5.453 27 2HM MDH 5 2HM MDH 5 6.496 -0.256 4.355 28 3HM MDH 5 3HM MDH 5 5.014 -1.219 4.053 29 HB MDH 5 HB MDH 5 3.192 3.619 4.803 30 1HG MDH 5 1HG MDH 5 6.102 3.239 3.814 31 2HG MDH 5 2HG MDH 5 5.564 4.266 5.158 32 3HG MDH 5 3HG MDH 5 5.057 4.638 3.490 33 1HN3 MFD 3 1HN3 MFD 3 0.731 0.174 -0.438 34 H2 MFD 3 H2 MFD 3 0.094 2.665 -0.782 35 H3 MFD 3 H3 MFD 3 -0.473 0.691 -3.042 36 1HM2 MFD 3 1HM2 MFD 3 -1.405 3.642 -2.490 37 2HM2 MFD 3 2HM2 MFD 3 0.217 4.369 -2.603 38 3HM2 MFD 3 3HM2 MFD 3 -0.298 3.149 -3.800 39 H7 MFD 3 H7 MFD 3 -5.161 0.265 -3.556 40 H5 MFD 3 H5 MFD 3 -2.877 0.649 -3.328 41 H4 MFD 3 H4 MFD 3 -2.043 1.334 -0.465 42 1H' MFD 3 1H' MFD 3 -7.951 2.976 -2.963 43 2H' MFD 3 2H' MFD 3 -6.266 2.952 -3.436 44 H9 MFD 3 H9 MFD 3 -8.443 0.868 -4.002 45 H8 MFD 3 H8 MFD 3 -7.179 -0.525 -2.436 46 H4' MFD 3 H4' MFD 3 -8.658 5.263 -8.341 47 H3' MFD 3 H3' MFD 3 -6.257 4.949 -7.749 48 H2' MFD 3 H2' MFD 3 -5.638 3.769 -5.670 49 H6' MFD 3 H6' MFD 3 -9.788 3.203 -4.740 50 H5' MFD 3 H5' MFD 3 -10.421 4.381 -6.817 51 1HM9 MFD 3 1HM9 MFD 3 -8.218 -0.633 -5.786 52 2HM9 MFD 3 2HM9 MFD 3 -6.562 -0.803 -6.438 53 3HM9 MFD 3 3HM9 MFD 3 -6.929 -1.378 -4.786 54 1HM8 MFD 3 1HM8 MFD 3 -7.412 0.494 -0.373 55 2HM8 MFD 3 2HM8 MFD 3 -8.769 0.922 -1.416 56 3HM8 MFD 3 3HM8 MFD 3 -7.530 2.131 -1.032 57 1HM6 MFD 3 1HM6 MFD 3 -3.925 2.179 0.066 58 2HM6 MFD 3 2HM6 MFD 3 -5.310 1.071 0.243 59 3HM6 MFD 3 3HM6 MFD 3 -5.470 2.601 -0.666 Start of MODEL 4 1 HN 2AS 1 HN 2AS 1 2.530 0.071 2.571 2 HB 2AS 1 HB 2AS 1 -0.424 -2.125 2.837 3 HA 2AS 1 HA 2AS 1 0.539 -0.565 4.665 4 1HBB 2AS 1 1HBB 2AS 1 0.631 -3.107 4.792 5 2HBB 2AS 1 2HBB 2AS 1 2.252 -2.966 4.069 6 3HBB 2AS 1 3HBB 2AS 1 1.033 -4.040 3.326 7 H ARG 2 HN ARG 2 -0.461 -2.337 0.599 8 HA ARG 2 HA ARG 2 2.086 -2.137 -0.890 9 1HB ARG 2 2HB ARG 2 -0.109 -4.247 -1.301 10 2HB ARG 2 1HB ARG 2 1.233 -3.931 -2.423 11 1HG ARG 2 1HG ARG 2 2.885 -4.578 -0.647 12 2HG ARG 2 2HG ARG 2 1.572 -4.936 0.476 13 1HD ARG 2 1HD ARG 2 2.079 -6.403 -2.188 14 2HD ARG 2 2HD ARG 2 2.515 -6.988 -0.589 15 HE ARG 2 HE ARG 2 0.177 -7.462 -0.087 16 1HH1 ARG 2 2HH2 ARG 2 0.469 -6.193 -3.528 17 2HH1 ARG 2 1HH2 ARG 2 -1.097 -6.759 -3.951 18 1HH2 ARG 2 2HH1 ARG 2 -1.925 -8.213 -0.670 19 2HH2 ARG 2 1HH1 ARG 2 -2.508 -7.950 -2.266 20 H GLU 4 HN GLU 4 2.195 3.109 -0.309 21 HA GLU 4 HA GLU 4 4.249 2.172 -2.243 22 1HB GLU 4 2HB GLU 4 4.235 0.603 -0.435 23 2HB GLU 4 1HB GLU 4 5.702 1.566 -0.369 24 1HG GLU 4 2HG GLU 4 4.776 2.841 1.604 25 2HG GLU 4 1HG GLU 4 3.309 1.856 1.531 26 1HM MDH 5 1HM MDH 5 5.200 -0.167 5.417 27 2HM MDH 5 2HM MDH 5 6.543 -0.329 4.258 28 3HM MDH 5 3HM MDH 5 5.032 -1.262 4.017 29 HB MDH 5 HB MDH 5 3.320 3.579 4.903 30 1HG MDH 5 1HG MDH 5 6.212 3.150 3.883 31 2HG MDH 5 2HG MDH 5 5.708 4.147 5.262 32 3HG MDH 5 3HG MDH 5 5.205 4.587 3.609 33 1HN3 MFD 3 1HN3 MFD 3 0.824 0.116 -0.505 34 H2 MFD 3 H2 MFD 3 0.058 2.593 -0.772 35 H3 MFD 3 H3 MFD 3 -0.378 0.666 -3.099 36 1HM2 MFD 3 1HM2 MFD 3 -1.468 3.551 -2.464 37 2HM2 MFD 3 2HM2 MFD 3 0.117 4.359 -2.540 38 3HM2 MFD 3 3HM2 MFD 3 -0.329 3.152 -3.777 39 H7 MFD 3 H7 MFD 3 -5.038 0.417 -3.817 40 H5 MFD 3 H5 MFD 3 -2.756 0.464 -3.420 41 H4 MFD 3 H4 MFD 3 -2.026 1.181 -0.539 42 1H' MFD 3 1H' MFD 3 -6.740 -2.109 -1.252 43 2H' MFD 3 2H' MFD 3 -5.386 -1.997 -2.349 44 H9 MFD 3 H9 MFD 3 -6.885 -1.176 -4.166 45 H8 MFD 3 H8 MFD 3 -7.140 0.415 -1.569 46 H4' MFD 3 H4' MFD 3 -7.386 -7.176 -4.251 47 H3' MFD 3 H3' MFD 3 -5.889 -5.603 -5.475 48 H2' MFD 3 H2' MFD 3 -5.482 -3.337 -4.586 49 H6' MFD 3 H6' MFD 3 -8.041 -4.175 -1.245 50 H5' MFD 3 H5' MFD 3 -8.458 -6.442 -2.125 51 1HM9 MFD 3 1HM9 MFD 3 -9.415 -0.224 -1.611 52 2HM9 MFD 3 2HM9 MFD 3 -10.443 -1.479 -2.357 53 3HM9 MFD 3 3HM9 MFD 3 -9.094 -1.956 -1.290 54 1HM8 MFD 3 1HM8 MFD 3 -7.190 2.489 -2.942 55 2HM8 MFD 3 2HM8 MFD 3 -8.624 1.493 -3.242 56 3HM8 MFD 3 3HM8 MFD 3 -7.307 1.523 -4.433 57 1HM6 MFD 3 1HM6 MFD 3 -3.865 0.289 0.264 58 2HM6 MFD 3 2HM6 MFD 3 -5.567 0.055 -0.114 59 3HM6 MFD 3 3HM6 MFD 3 -4.912 1.706 -0.007 Start of MODEL 5 1 HN 2AS 1 HN 2AS 1 2.401 0.111 2.512 2 HB 2AS 1 HB 2AS 1 -0.303 -2.337 2.910 3 HA 2AS 1 HA 2AS 1 0.578 -0.652 4.707 4 1HBB 2AS 1 1HBB 2AS 1 0.839 -3.156 4.883 5 2HBB 2AS 1 2HBB 2AS 1 2.441 -2.875 4.157 6 3HBB 2AS 1 3HBB 2AS 1 1.337 -4.086 3.444 7 H ARG 2 HN ARG 2 -0.375 -2.290 0.640 8 HA ARG 2 HA ARG 2 2.157 -2.037 -0.851 9 1HB ARG 2 2HB ARG 2 -0.006 -4.175 -1.295 10 2HB ARG 2 1HB ARG 2 1.333 -3.825 -2.409 11 1HG ARG 2 1HG ARG 2 2.987 -4.549 -0.659 12 2HG ARG 2 2HG ARG 2 1.665 -4.886 0.469 13 1HD ARG 2 1HD ARG 2 0.723 -6.581 -1.127 14 2HD ARG 2 2HD ARG 2 2.065 -6.276 -2.245 15 HE ARG 2 HE ARG 2 3.238 -7.085 0.259 16 1HH1 ARG 2 2HH2 ARG 2 1.125 -8.626 -2.324 17 2HH1 ARG 2 1HH2 ARG 2 1.707 -10.206 -1.977 18 1HH2 ARG 2 2HH1 ARG 2 4.020 -9.222 0.717 19 2HH2 ARG 2 1HH1 ARG 2 3.415 -10.556 -0.182 20 H GLU 4 HN GLU 4 2.269 3.174 -0.370 21 HA GLU 4 HA GLU 4 4.237 2.064 -2.302 22 1HB GLU 4 2HB GLU 4 4.132 0.538 -0.457 23 2HB GLU 4 1HB GLU 4 5.661 1.400 -0.425 24 1HG GLU 4 2HG GLU 4 4.829 2.787 1.524 25 2HG GLU 4 1HG GLU 4 3.304 1.884 1.482 26 1HM MDH 5 1HM MDH 5 5.061 -0.159 5.404 27 2HM MDH 5 2HM MDH 5 6.415 -0.377 4.267 28 3HM MDH 5 3HM MDH 5 4.882 -1.271 4.018 29 HB MDH 5 HB MDH 5 3.217 3.605 4.764 30 1HG MDH 5 1HG MDH 5 6.112 3.161 3.760 31 2HG MDH 5 2HG MDH 5 5.605 4.192 5.112 32 3HG MDH 5 3HG MDH 5 5.098 4.585 3.449 33 1HN3 MFD 3 1HN3 MFD 3 0.877 0.195 -0.444 34 H2 MFD 3 H2 MFD 3 0.091 2.714 -0.779 35 H3 MFD 3 H3 MFD 3 -0.449 0.698 -3.000 36 1HM2 MFD 3 1HM2 MFD 3 -1.473 3.591 -2.473 37 2HM2 MFD 3 2HM2 MFD 3 0.111 4.393 -2.629 38 3HM2 MFD 3 3HM2 MFD 3 -0.368 3.130 -3.795 39 H7 MFD 3 H7 MFD 3 -4.306 -1.466 -2.073 40 H5 MFD 3 H5 MFD 3 -2.884 0.396 -3.115 41 H4 MFD 3 H4 MFD 3 -1.926 1.239 -0.337 42 1H' MFD 3 1H' MFD 3 -4.392 -1.392 1.898 43 2H' MFD 3 2H' MFD 3 -3.310 -1.473 0.528 44 H9 MFD 3 H9 MFD 3 -4.725 -3.266 -0.503 45 H8 MFD 3 H8 MFD 3 -6.251 -0.710 0.190 46 H4' MFD 3 H4' MFD 3 -1.116 -6.113 3.344 47 H3' MFD 3 H3' MFD 3 -2.571 -4.685 4.776 48 H2' MFD 3 H2' MFD 3 -3.886 -2.855 3.772 49 H6' MFD 3 H6' MFD 3 -2.317 -3.838 -0.098 50 H5' MFD 3 H5' MFD 3 -0.999 -5.673 0.893 51 1HM9 MFD 3 1HM9 MFD 3 -7.494 -2.053 1.644 52 2HM9 MFD 3 2HM9 MFD 3 -7.518 -3.701 2.330 53 3HM9 MFD 3 3HM9 MFD 3 -6.234 -2.558 2.814 54 1HM8 MFD 3 1HM8 MFD 3 -7.427 -0.930 -1.998 55 2HM8 MFD 3 2HM8 MFD 3 -7.862 -2.256 -0.907 56 3HM8 MFD 3 3HM8 MFD 3 -6.720 -2.547 -2.237 57 1HM6 MFD 3 1HM6 MFD 3 -4.160 2.433 -0.298 58 2HM6 MFD 3 2HM6 MFD 3 -4.707 1.103 0.745 59 3HM6 MFD 3 3HM6 MFD 3 -5.799 1.771 -0.494 Start of MODEL 6 1 HN 2AS 1 HN 2AS 1 2.505 0.076 2.568 2 HB 2AS 1 HB 2AS 1 -0.405 -2.162 2.850 3 HA 2AS 1 HA 2AS 1 0.546 -0.583 4.683 4 1HBB 2AS 1 1HBB 2AS 1 0.653 -3.122 4.812 5 2HBB 2AS 1 2HBB 2AS 1 2.277 -2.954 4.100 6 3HBB 2AS 1 3HBB 2AS 1 1.083 -4.051 3.350 7 H ARG 2 HN ARG 2 -0.433 -2.302 0.599 8 HA ARG 2 HA ARG 2 2.113 -2.061 -0.875 9 1HB ARG 2 2HB ARG 2 0.009 -4.272 -1.231 10 2HB ARG 2 1HB ARG 2 1.287 -3.896 -2.408 11 1HG ARG 2 1HG ARG 2 3.048 -4.427 -0.726 12 2HG ARG 2 2HG ARG 2 1.831 -4.794 0.493 13 1HD ARG 2 1HD ARG 2 2.200 -6.327 -2.151 14 2HD ARG 2 2HD ARG 2 2.815 -6.857 -0.590 15 HE ARG 2 HE ARG 2 0.061 -7.204 -1.566 16 1HH1 ARG 2 2HH2 ARG 2 1.946 -6.897 1.576 17 2HH1 ARG 2 1HH2 ARG 2 0.752 -7.749 2.470 18 1HH2 ARG 2 2HH1 ARG 2 -1.540 -8.348 -0.350 19 2HH2 ARG 2 1HH1 ARG 2 -1.305 -8.605 1.333 20 H GLU 4 HN GLU 4 2.199 3.113 -0.320 21 HA GLU 4 HA GLU 4 4.243 2.153 -2.252 22 1HB GLU 4 2HB GLU 4 4.202 0.587 -0.441 23 2HB GLU 4 1HB GLU 4 5.685 1.526 -0.382 24 1HG GLU 4 2HG GLU 4 4.780 2.823 1.589 25 2HG GLU 4 1HG GLU 4 3.302 1.854 1.524 26 1HM MDH 5 1HM MDH 5 5.151 -0.200 5.405 27 2HM MDH 5 2HM MDH 5 6.520 -0.340 4.273 28 3HM MDH 5 3HM MDH 5 5.020 -1.279 3.989 29 HB MDH 5 HB MDH 5 3.317 3.579 4.881 30 1HG MDH 5 1HG MDH 5 6.200 3.140 3.840 31 2HG MDH 5 2HG MDH 5 5.711 4.143 5.221 32 3HG MDH 5 3HG MDH 5 5.192 4.577 3.571 33 1HN3 MFD 3 1HN3 MFD 3 0.858 0.143 -0.530 34 H2 MFD 3 H2 MFD 3 0.051 2.616 -0.791 35 H3 MFD 3 H3 MFD 3 -0.404 0.669 -3.098 36 1HM2 MFD 3 1HM2 MFD 3 -1.477 3.551 -2.491 37 2HM2 MFD 3 2HM2 MFD 3 0.105 4.365 -2.576 38 3HM2 MFD 3 3HM2 MFD 3 -0.337 3.143 -3.800 39 H7 MFD 3 H7 MFD 3 -4.778 -0.987 -3.008 40 H5 MFD 3 H5 MFD 3 -2.827 0.448 -3.352 41 H4 MFD 3 H4 MFD 3 -1.995 1.145 -0.492 42 1H' MFD 3 1H' MFD 3 -4.129 -2.215 -0.665 43 2H' MFD 3 2H' MFD 3 -5.237 -1.961 0.673 44 H9 MFD 3 H9 MFD 3 -6.036 -3.016 -2.091 45 H8 MFD 3 H8 MFD 3 -6.720 -0.393 -0.685 46 H4' MFD 3 H4' MFD 3 -4.294 -7.786 1.143 47 H3' MFD 3 H3' MFD 3 -3.459 -6.915 -1.039 48 H2' MFD 3 H2' MFD 3 -3.812 -4.548 -1.641 49 H6' MFD 3 H6' MFD 3 -5.834 -3.884 2.084 50 H5' MFD 3 H5' MFD 3 -5.481 -6.248 2.704 51 1HM9 MFD 3 1HM9 MFD 3 -7.610 -4.789 -1.414 52 2HM9 MFD 3 2HM9 MFD 3 -9.084 -4.082 -0.683 53 3HM9 MFD 3 3HM9 MFD 3 -8.510 -3.499 -2.275 54 1HM8 MFD 3 1HM8 MFD 3 -7.625 0.441 -2.866 55 2HM8 MFD 3 2HM8 MFD 3 -8.560 -0.927 -2.241 56 3HM8 MFD 3 3HM8 MFD 3 -7.416 -1.176 -3.580 57 1HM6 MFD 3 1HM6 MFD 3 -4.063 2.202 -0.216 58 2HM6 MFD 3 2HM6 MFD 3 -4.752 0.715 0.480 59 3HM6 MFD 3 3HM6 MFD 3 -5.751 1.772 -0.548 Start of MODEL 7 1 HN 2AS 1 HN 2AS 1 2.497 0.087 2.574 2 HB 2AS 1 HB 2AS 1 -0.358 -2.211 2.830 3 HA 2AS 1 HA 2AS 1 0.575 -0.643 4.694 4 1HBB 2AS 1 1HBB 2AS 1 0.729 -3.186 4.768 5 2HBB 2AS 1 2HBB 2AS 1 2.346 -2.969 4.052 6 3HBB 2AS 1 3HBB 2AS 1 1.171 -4.076 3.286 7 H ARG 2 HN ARG 2 -0.385 -2.367 0.578 8 HA ARG 2 HA ARG 2 2.138 -1.933 -0.893 9 1HB ARG 2 2HB ARG 2 0.160 -4.242 -1.327 10 2HB ARG 2 1HB ARG 2 1.421 -3.760 -2.483 11 1HG ARG 2 1HG ARG 2 3.200 -4.252 -0.804 12 2HG ARG 2 2HG ARG 2 1.995 -4.738 0.387 13 1HD ARG 2 1HD ARG 2 2.469 -6.133 -2.318 14 2HD ARG 2 2HD ARG 2 3.100 -6.696 -0.775 15 HE ARG 2 HE ARG 2 0.353 -7.108 -1.781 16 1HH1 ARG 2 2HH2 ARG 2 2.273 -6.966 1.352 17 2HH1 ARG 2 1HH2 ARG 2 1.110 -7.905 2.201 18 1HH2 ARG 2 2HH1 ARG 2 -1.204 -8.371 -0.627 19 2HH2 ARG 2 1HH1 ARG 2 -0.941 -8.734 1.032 20 H GLU 4 HN GLU 4 2.221 3.084 -0.352 21 HA GLU 4 HA GLU 4 4.232 2.012 -2.262 22 1HB GLU 4 2HB GLU 4 4.211 0.522 -0.393 23 2HB GLU 4 1HB GLU 4 5.693 1.466 -0.379 24 1HG GLU 4 2HG GLU 4 4.797 2.828 1.558 25 2HG GLU 4 1HG GLU 4 3.316 1.857 1.528 26 1HM MDH 5 1HM MDH 5 5.145 -0.108 5.459 27 2HM MDH 5 2HM MDH 5 6.519 -0.262 4.335 28 3HM MDH 5 3HM MDH 5 5.028 -1.223 4.070 29 HB MDH 5 HB MDH 5 3.227 3.611 4.839 30 1HG MDH 5 1HG MDH 5 6.130 3.220 3.833 31 2HG MDH 5 2HG MDH 5 5.604 4.239 5.188 32 3HG MDH 5 3HG MDH 5 5.092 4.628 3.524 33 1HN3 MFD 3 1HN3 MFD 3 0.739 0.184 -0.465 34 H2 MFD 3 H2 MFD 3 0.075 2.655 -0.797 35 H3 MFD 3 H3 MFD 3 -0.455 0.685 -3.073 36 1HM2 MFD 3 1HM2 MFD 3 -1.430 3.628 -2.500 37 2HM2 MFD 3 2HM2 MFD 3 0.185 4.369 -2.610 38 3HM2 MFD 3 3HM2 MFD 3 -0.321 3.151 -3.812 39 H7 MFD 3 H7 MFD 3 -5.097 1.547 -3.737 40 H5 MFD 3 H5 MFD 3 -2.873 0.707 -3.406 41 H4 MFD 3 H4 MFD 3 -2.063 1.296 -0.511 42 1H' MFD 3 1H' MFD 3 -7.400 3.935 -1.616 43 2H' MFD 3 2H' MFD 3 -5.714 3.881 -2.083 44 H9 MFD 3 H9 MFD 3 -8.157 2.951 -3.691 45 H8 MFD 3 H8 MFD 3 -7.326 0.700 -3.239 46 H4' MFD 3 H4' MFD 3 -7.393 8.945 -4.695 47 H3' MFD 3 H3' MFD 3 -5.112 7.958 -4.490 48 H2' MFD 3 H2' MFD 3 -4.817 5.721 -3.483 49 H6' MFD 3 H6' MFD 3 -9.051 5.433 -2.857 50 H5' MFD 3 H5' MFD 3 -9.359 7.650 -3.887 51 1HM9 MFD 3 1HM9 MFD 3 -8.008 2.761 -6.024 52 2HM9 MFD 3 2HM9 MFD 3 -6.346 2.650 -6.674 53 3HM9 MFD 3 3HM9 MFD 3 -6.995 1.324 -5.665 54 1HM8 MFD 3 1HM8 MFD 3 -7.617 0.374 -0.986 55 2HM8 MFD 3 2HM8 MFD 3 -8.728 1.627 -1.533 56 3HM8 MFD 3 3HM8 MFD 3 -7.320 2.060 -0.540 57 1HM6 MFD 3 1HM6 MFD 3 -3.946 0.669 0.298 58 2HM6 MFD 3 2HM6 MFD 3 -5.588 0.197 -0.172 59 3HM6 MFD 3 3HM6 MFD 3 -5.169 1.924 0.010 Start of MODEL 8 1 HN 2AS 1 HN 2AS 1 2.562 0.067 2.584 2 HB 2AS 1 HB 2AS 1 -0.417 -2.109 2.809 3 HA 2AS 1 HA 2AS 1 0.551 -0.580 4.652 4 1HBB 2AS 1 1HBB 2AS 1 0.640 -3.125 4.745 5 2HBB 2AS 1 2HBB 2AS 1 2.259 -2.988 4.014 6 3HBB 2AS 1 3HBB 2AS 1 1.025 -4.041 3.263 7 H ARG 2 HN ARG 2 -0.458 -2.384 0.579 8 HA ARG 2 HA ARG 2 2.068 -2.097 -0.929 9 1HB ARG 2 2HB ARG 2 -0.056 -4.281 -1.332 10 2HB ARG 2 1HB ARG 2 1.237 -3.881 -2.484 11 1HG ARG 2 1HG ARG 2 2.969 -4.514 -0.759 12 2HG ARG 2 2HG ARG 2 1.687 -4.910 0.388 13 1HD ARG 2 1HD ARG 2 2.518 -6.980 -0.611 14 2HD ARG 2 2HD ARG 2 0.850 -6.717 -1.140 15 HE ARG 2 HE ARG 2 2.691 -5.703 -3.175 16 1HH1 ARG 2 2HH2 ARG 2 1.427 -8.908 -1.900 17 2HH1 ARG 2 1HH2 ARG 2 1.694 -9.705 -3.399 18 1HH2 ARG 2 2HH1 ARG 2 3.049 -6.782 -5.191 19 2HH2 ARG 2 1HH1 ARG 2 2.654 -8.448 -5.344 20 H GLU 4 HN GLU 4 2.202 3.090 -0.308 21 HA GLU 4 HA GLU 4 4.252 2.122 -2.231 22 1HB GLU 4 2HB GLU 4 4.261 0.588 -0.395 23 2HB GLU 4 1HB GLU 4 5.719 1.567 -0.354 24 1HG GLU 4 2HG GLU 4 4.787 2.864 1.607 25 2HG GLU 4 1HG GLU 4 3.329 1.865 1.551 26 1HM MDH 5 1HM MDH 5 5.189 -0.137 5.449 27 2HM MDH 5 2HM MDH 5 6.573 -0.244 4.332 28 3HM MDH 5 3HM MDH 5 5.103 -1.227 4.038 29 HB MDH 5 HB MDH 5 3.304 3.594 4.928 30 1HG MDH 5 1HG MDH 5 6.200 3.191 3.908 31 2HG MDH 5 2HG MDH 5 5.698 4.152 5.312 32 3HG MDH 5 3HG MDH 5 5.189 4.632 3.672 33 1HN3 MFD 3 1HN3 MFD 3 0.765 0.110 -0.505 34 H2 MFD 3 H2 MFD 3 0.067 2.577 -0.761 35 H3 MFD 3 H3 MFD 3 -0.399 0.675 -3.109 36 1HM2 MFD 3 1HM2 MFD 3 -1.432 3.590 -2.447 37 2HM2 MFD 3 2HM2 MFD 3 0.173 4.356 -2.514 38 3HM2 MFD 3 3HM2 MFD 3 -0.303 3.172 -3.763 39 H7 MFD 3 H7 MFD 3 -4.997 1.788 -3.790 40 H5 MFD 3 H5 MFD 3 -2.817 0.711 -3.499 41 H4 MFD 3 H4 MFD 3 -2.071 1.200 -0.567 42 1H' MFD 3 1H' MFD 3 -5.076 3.927 -2.539 43 2H' MFD 3 2H' MFD 3 -6.338 3.936 -1.340 44 H9 MFD 3 H9 MFD 3 -7.925 3.503 -3.447 45 H8 MFD 3 H8 MFD 3 -7.239 1.061 -3.422 46 H4' MFD 3 H4' MFD 3 -7.170 9.405 -3.400 47 H3' MFD 3 H3' MFD 3 -5.057 8.367 -4.219 48 H2' MFD 3 H2' MFD 3 -4.588 5.986 -3.763 49 H6' MFD 3 H6' MFD 3 -8.315 5.641 -1.667 50 H5' MFD 3 H5' MFD 3 -8.797 8.021 -2.115 51 1HM9 MFD 3 1HM9 MFD 3 -8.110 3.423 -5.785 52 2HM9 MFD 3 2HM9 MFD 3 -6.574 3.179 -6.667 53 3HM9 MFD 3 3HM9 MFD 3 -7.259 1.847 -5.692 54 1HM8 MFD 3 1HM8 MFD 3 -7.620 0.522 -1.173 55 2HM8 MFD 3 2HM8 MFD 3 -8.640 1.890 -1.610 56 3HM8 MFD 3 3HM8 MFD 3 -7.224 2.138 -0.574 57 1HM6 MFD 3 1HM6 MFD 3 -3.978 0.385 0.143 58 2HM6 MFD 3 2HM6 MFD 3 -5.635 0.069 -0.394 59 3HM6 MFD 3 3HM6 MFD 3 -5.119 1.736 -0.015 Start of MODEL 9 1 HN 2AS 1 HN 2AS 1 2.402 0.146 2.496 2 HB 2AS 1 HB 2AS 1 -0.309 -2.313 2.865 3 HA 2AS 1 HA 2AS 1 0.550 -0.631 4.665 4 1HBB 2AS 1 1HBB 2AS 1 0.840 -3.105 4.855 5 2HBB 2AS 1 2HBB 2AS 1 2.439 -2.843 4.115 6 3HBB 2AS 1 3HBB 2AS 1 1.326 -4.062 3.434 7 H ARG 2 HN ARG 2 -0.352 -2.417 0.589 8 HA ARG 2 HA ARG 2 2.159 -1.938 -0.878 9 1HB ARG 2 2HB ARG 2 0.163 -4.209 -1.429 10 2HB ARG 2 1HB ARG 2 1.426 -3.652 -2.543 11 1HG ARG 2 1HG ARG 2 2.439 -5.537 -1.640 12 2HG ARG 2 2HG ARG 2 3.164 -4.232 -0.716 13 1HD ARG 2 1HD ARG 2 2.694 -6.089 0.759 14 2HD ARG 2 2HD ARG 2 1.603 -4.802 1.232 15 HE ARG 2 HE ARG 2 0.817 -7.343 -0.238 16 1HH1 ARG 2 2HH2 ARG 2 -0.384 -4.440 1.680 17 2HH1 ARG 2 1HH2 ARG 2 -1.969 -5.091 1.808 18 1HH2 ARG 2 2HH1 ARG 2 -1.310 -8.196 -0.053 19 2HH2 ARG 2 1HH1 ARG 2 -2.514 -7.304 0.789 20 H GLU 4 HN GLU 4 2.290 3.192 -0.398 21 HA GLU 4 HA GLU 4 4.259 2.031 -2.296 22 1HB GLU 4 2HB GLU 4 4.185 0.529 -0.430 23 2HB GLU 4 1HB GLU 4 5.696 1.423 -0.405 24 1HG GLU 4 2HG GLU 4 4.837 2.811 1.526 25 2HG GLU 4 1HG GLU 4 3.325 1.889 1.489 26 1HM MDH 5 1HM MDH 5 5.031 -0.153 5.420 27 2HM MDH 5 2HM MDH 5 6.422 -0.333 4.322 28 3HM MDH 5 3HM MDH 5 4.912 -1.253 4.019 29 HB MDH 5 HB MDH 5 3.178 3.615 4.750 30 1HG MDH 5 1HG MDH 5 6.093 3.199 3.794 31 2HG MDH 5 2HG MDH 5 5.545 4.248 5.116 32 3HG MDH 5 3HG MDH 5 5.065 4.602 3.436 33 1HN3 MFD 3 1HN3 MFD 3 0.759 0.178 -0.380 34 H2 MFD 3 H2 MFD 3 0.135 2.698 -0.743 35 H3 MFD 3 H3 MFD 3 -0.503 0.702 -2.964 36 1HM2 MFD 3 1HM2 MFD 3 -1.392 3.646 -2.453 37 2HM2 MFD 3 2HM2 MFD 3 0.229 4.370 -2.599 38 3HM2 MFD 3 3HM2 MFD 3 -0.300 3.126 -3.765 39 H7 MFD 3 H7 MFD 3 -5.226 0.315 -3.308 40 H5 MFD 3 H5 MFD 3 -2.924 0.663 -3.163 41 H4 MFD 3 H4 MFD 3 -1.981 1.375 -0.341 42 1H' MFD 3 1H' MFD 3 -7.997 3.008 -2.543 43 2H' MFD 3 2H' MFD 3 -6.337 3.002 -3.098 44 H9 MFD 3 H9 MFD 3 -8.526 0.913 -3.589 45 H8 MFD 3 H8 MFD 3 -7.187 -0.496 -2.107 46 H4' MFD 3 H4' MFD 3 -8.982 5.359 -7.850 47 H3' MFD 3 H3' MFD 3 -6.553 5.109 -7.349 48 H2' MFD 3 H2' MFD 3 -5.825 3.907 -5.319 49 H6' MFD 3 H6' MFD 3 -9.919 3.192 -4.257 50 H5' MFD 3 H5' MFD 3 -10.662 4.389 -6.285 51 1HM9 MFD 3 1HM9 MFD 3 -8.387 -0.544 -5.417 52 2HM9 MFD 3 2HM9 MFD 3 -6.759 -0.712 -6.137 53 3HM9 MFD 3 3HM9 MFD 3 -7.064 -1.311 -4.480 54 1HM8 MFD 3 1HM8 MFD 3 -7.323 0.490 -0.020 55 2HM8 MFD 3 2HM8 MFD 3 -8.730 0.930 -0.990 56 3HM8 MFD 3 3HM8 MFD 3 -7.476 2.137 -0.647 57 1HM6 MFD 3 1HM6 MFD 3 -3.832 2.186 0.283 58 2HM6 MFD 3 2HM6 MFD 3 -5.204 1.072 0.504 59 3HM6 MFD 3 3HM6 MFD 3 -5.407 2.612 -0.379 Start of MODEL 10 1 HN 2AS 1 HN 2AS 1 2.466 0.100 2.556 2 HB 2AS 1 HB 2AS 1 -0.343 -2.245 2.847 3 HA 2AS 1 HA 2AS 1 0.572 -0.643 4.697 4 1HBB 2AS 1 1HBB 2AS 1 0.761 -3.179 4.797 5 2HBB 2AS 1 2HBB 2AS 1 2.374 -2.941 4.079 6 3HBB 2AS 1 3HBB 2AS 1 1.219 -4.078 3.326 7 H ARG 2 HN ARG 2 -0.374 -2.361 0.588 8 HA ARG 2 HA ARG 2 2.152 -1.930 -0.877 9 1HB ARG 2 2HB ARG 2 0.166 -4.229 -1.330 10 2HB ARG 2 1HB ARG 2 1.443 -3.749 -2.471 11 1HG ARG 2 1HG ARG 2 3.196 -4.284 -0.758 12 2HG ARG 2 2HG ARG 2 1.945 -4.761 0.397 13 1HD ARG 2 1HD ARG 2 1.200 -6.594 -1.190 14 2HD ARG 2 2HD ARG 2 2.463 -6.108 -2.318 15 HE ARG 2 HE ARG 2 4.073 -7.277 -1.000 16 1HH1 ARG 2 2HH2 ARG 2 1.048 -6.961 1.066 17 2HH1 ARG 2 1HH2 ARG 2 1.662 -8.021 2.271 18 1HH2 ARG 2 2HH1 ARG 2 4.889 -8.704 0.629 19 2HH2 ARG 2 1HH1 ARG 2 3.929 -9.049 2.012 20 H GLU 4 HN GLU 4 2.233 3.111 -0.363 21 HA GLU 4 HA GLU 4 4.237 2.029 -2.274 22 1HB GLU 4 2HB GLU 4 4.190 0.526 -0.413 23 2HB GLU 4 1HB GLU 4 5.685 1.447 -0.390 24 1HG GLU 4 2HG GLU 4 4.803 2.815 1.549 25 2HG GLU 4 1HG GLU 4 3.312 1.861 1.513 26 1HM MDH 5 1HM MDH 5 5.095 -0.145 5.437 27 2HM MDH 5 2HM MDH 5 6.479 -0.306 4.326 28 3HM MDH 5 3HM MDH 5 4.980 -1.246 4.037 29 HB MDH 5 HB MDH 5 3.228 3.610 4.813 30 1HG MDH 5 1HG MDH 5 6.127 3.199 3.803 31 2HG MDH 5 2HG MDH 5 5.613 4.218 5.162 32 3HG MDH 5 3HG MDH 5 5.098 4.615 3.501 33 1HN3 MFD 3 1HN3 MFD 3 0.757 0.191 -0.449 34 H2 MFD 3 H2 MFD 3 0.084 2.668 -0.790 35 H3 MFD 3 H3 MFD 3 -0.454 0.686 -3.052 36 1HM2 MFD 3 1HM2 MFD 3 -1.429 3.628 -2.493 37 2HM2 MFD 3 2HM2 MFD 3 0.184 4.372 -2.616 38 3HM2 MFD 3 3HM2 MFD 3 -0.325 3.144 -3.807 39 H7 MFD 3 H7 MFD 3 -5.050 1.299 -3.678 40 H5 MFD 3 H5 MFD 3 -2.870 0.663 -3.360 41 H4 MFD 3 H4 MFD 3 -2.048 1.315 -0.483 42 1H' MFD 3 1H' MFD 3 -8.005 2.975 -1.160 43 2H' MFD 3 2H' MFD 3 -6.702 2.253 -0.308 44 H9 MFD 3 H9 MFD 3 -7.192 0.035 -1.423 45 H8 MFD 3 H8 MFD 3 -6.933 2.530 -2.991 46 H4' MFD 3 H4' MFD 3 -11.010 1.023 3.554 47 H3' MFD 3 H3' MFD 3 -11.771 2.486 1.684 48 H2' MFD 3 H2' MFD 3 -10.269 2.946 -0.218 49 H6' MFD 3 H6' MFD 3 -7.230 0.506 1.579 50 H5' MFD 3 H5' MFD 3 -8.722 0.038 3.483 51 1HM9 MFD 3 1HM9 MFD 3 -9.509 -0.852 -0.720 52 2HM9 MFD 3 2HM9 MFD 3 -10.559 -0.736 -2.164 53 3HM9 MFD 3 3HM9 MFD 3 -8.924 -1.449 -2.306 54 1HM8 MFD 3 1HM8 MFD 3 -6.617 1.194 -5.100 55 2HM8 MFD 3 2HM8 MFD 3 -8.279 0.985 -4.549 56 3HM8 MFD 3 3HM8 MFD 3 -7.088 -0.300 -4.247 57 1HM6 MFD 3 1HM6 MFD 3 -3.908 0.242 0.210 58 2HM6 MFD 3 2HM6 MFD 3 -5.641 0.322 -0.074 59 3HM6 MFD 3 3HM6 MFD 3 -4.726 1.826 0.233 Start of MODEL 11 1 HN 2AS 1 HN 2AS 1 2.478 0.094 2.558 2 HB 2AS 1 HB 2AS 1 -0.355 -2.229 2.836 3 HA 2AS 1 HA 2AS 1 0.570 -0.642 4.690 4 1HBB 2AS 1 1HBB 2AS 1 0.730 -3.178 4.786 5 2HBB 2AS 1 2HBB 2AS 1 2.350 -2.953 4.078 6 3HBB 2AS 1 3HBB 2AS 1 1.189 -4.078 3.315 7 H ARG 2 HN ARG 2 -0.381 -2.365 0.585 8 HA ARG 2 HA ARG 2 2.144 -1.937 -0.886 9 1HB ARG 2 2HB ARG 2 0.151 -4.230 -1.332 10 2HB ARG 2 1HB ARG 2 1.424 -3.758 -2.480 11 1HG ARG 2 1HG ARG 2 3.189 -4.280 -0.800 12 2HG ARG 2 2HG ARG 2 1.976 -4.738 0.393 13 1HD ARG 2 1HD ARG 2 2.451 -6.158 -2.297 14 2HD ARG 2 2HD ARG 2 3.030 -6.731 -0.736 15 HE ARG 2 HE ARG 2 0.311 -7.095 -1.815 16 1HH1 ARG 2 2HH2 ARG 2 2.102 -6.907 1.390 17 2HH1 ARG 2 1HH2 ARG 2 0.877 -7.784 2.217 18 1HH2 ARG 2 2HH1 ARG 2 -1.329 -8.273 -0.691 19 2HH2 ARG 2 1HH1 ARG 2 -1.147 -8.590 0.988 20 H GLU 4 HN GLU 4 2.234 3.107 -0.362 21 HA GLU 4 HA GLU 4 4.239 2.021 -2.270 22 1HB GLU 4 2HB GLU 4 4.206 0.526 -0.404 23 2HB GLU 4 1HB GLU 4 5.693 1.460 -0.383 24 1HG GLU 4 2HG GLU 4 4.800 2.824 1.553 25 2HG GLU 4 1HG GLU 4 3.316 1.860 1.518 26 1HM MDH 5 1HM MDH 5 5.130 -0.109 5.452 27 2HM MDH 5 2HM MDH 5 6.503 -0.273 4.330 28 3HM MDH 5 3HM MDH 5 5.008 -1.226 4.065 29 HB MDH 5 HB MDH 5 3.213 3.610 4.821 30 1HG MDH 5 1HG MDH 5 6.120 3.220 3.828 31 2HG MDH 5 2HG MDH 5 5.586 4.243 5.176 32 3HG MDH 5 3HG MDH 5 5.083 4.626 3.509 33 1HN3 MFD 3 1HN3 MFD 3 0.741 0.187 -0.448 34 H2 MFD 3 H2 MFD 3 0.086 2.666 -0.791 35 H3 MFD 3 H3 MFD 3 -0.465 0.687 -3.054 36 1HM2 MFD 3 1HM2 MFD 3 -1.420 3.635 -2.498 37 2HM2 MFD 3 2HM2 MFD 3 0.198 4.370 -2.613 38 3HM2 MFD 3 3HM2 MFD 3 -0.314 3.147 -3.809 39 H7 MFD 3 H7 MFD 3 -5.058 1.778 -3.661 40 H5 MFD 3 H5 MFD 3 -2.892 0.717 -3.364 41 H4 MFD 3 H4 MFD 3 -2.050 1.329 -0.484 42 1H' MFD 3 1H' MFD 3 -5.038 3.986 -2.534 43 2H' MFD 3 2H' MFD 3 -6.279 4.139 -1.324 44 H9 MFD 3 H9 MFD 3 -7.923 3.602 -3.352 45 H8 MFD 3 H8 MFD 3 -7.306 1.143 -3.174 46 H4' MFD 3 H4' MFD 3 -6.880 9.467 -3.806 47 H3' MFD 3 H3' MFD 3 -8.590 8.251 -2.461 48 H2' MFD 3 H2' MFD 3 -8.218 5.894 -1.825 49 H6' MFD 3 H6' MFD 3 -4.438 5.929 -3.855 50 H5' MFD 3 H5' MFD 3 -4.797 8.285 -4.496 51 1HM9 MFD 3 1HM9 MFD 3 -8.175 3.357 -5.680 52 2HM9 MFD 3 2HM9 MFD 3 -6.671 2.997 -6.576 53 3HM9 MFD 3 3HM9 MFD 3 -7.368 1.768 -5.483 54 1HM8 MFD 3 1HM8 MFD 3 -7.625 0.776 -0.883 55 2HM8 MFD 3 2HM8 MFD 3 -8.626 2.136 -1.385 56 3HM8 MFD 3 3HM8 MFD 3 -7.172 2.419 -0.413 57 1HM6 MFD 3 1HM6 MFD 3 -3.952 0.635 0.332 58 2HM6 MFD 3 2HM6 MFD 3 -5.633 0.327 -0.133 59 3HM6 MFD 3 3HM6 MFD 3 -5.063 2.001 0.111 Start of MODEL 12 1 HN 2AS 1 HN 2AS 1 2.428 0.135 2.518 2 HB 2AS 1 HB 2AS 1 -0.316 -2.290 2.887 3 HA 2AS 1 HA 2AS 1 0.583 -0.657 4.691 4 1HBB 2AS 1 1HBB 2AS 1 0.849 -3.171 4.819 5 2HBB 2AS 1 2HBB 2AS 1 2.442 -2.900 4.068 6 3HBB 2AS 1 3HBB 2AS 1 1.305 -4.077 3.351 7 H ARG 2 HN ARG 2 -0.424 -2.319 0.639 8 HA ARG 2 HA ARG 2 2.082 -2.132 -0.916 9 1HB ARG 2 2HB ARG 2 -0.151 -4.216 -1.283 10 2HB ARG 2 1HB ARG 2 1.146 -3.887 -2.450 11 1HG ARG 2 1HG ARG 2 2.864 -4.633 -0.781 12 2HG ARG 2 2HG ARG 2 1.604 -4.909 0.423 13 1HD ARG 2 1HD ARG 2 2.246 -7.054 -0.564 14 2HD ARG 2 2HD ARG 2 0.574 -6.680 -1.008 15 HE ARG 2 HE ARG 2 2.306 -5.836 -3.185 16 1HH1 ARG 2 2HH2 ARG 2 1.098 -8.968 -1.691 17 2HH1 ARG 2 1HH2 ARG 2 1.262 -9.832 -3.168 18 1HH2 ARG 2 2HH1 ARG 2 2.524 -7.010 -5.172 19 2HH2 ARG 2 1HH1 ARG 2 2.105 -8.676 -5.222 20 H GLU 4 HN GLU 4 2.276 3.189 -0.369 21 HA GLU 4 HA GLU 4 4.251 2.060 -2.280 22 1HB GLU 4 2HB GLU 4 4.180 0.557 -0.418 23 2HB GLU 4 1HB GLU 4 5.690 1.451 -0.399 24 1HG GLU 4 2HG GLU 4 4.833 2.838 1.542 25 2HG GLU 4 1HG GLU 4 3.328 1.902 1.509 26 1HM MDH 5 1HM MDH 5 5.150 -0.092 5.438 27 2HM MDH 5 2HM MDH 5 6.471 -0.325 4.269 28 3HM MDH 5 3HM MDH 5 4.932 -1.223 4.073 29 HB MDH 5 HB MDH 5 3.172 3.599 4.798 30 1HG MDH 5 1HG MDH 5 6.081 3.240 3.801 31 2HG MDH 5 2HG MDH 5 5.540 4.259 5.149 32 3HG MDH 5 3HG MDH 5 5.028 4.635 3.484 33 1HN3 MFD 3 1HN3 MFD 3 0.870 0.137 -0.477 34 H2 MFD 3 H2 MFD 3 0.090 2.679 -0.771 35 H3 MFD 3 H3 MFD 3 -0.469 0.694 -3.015 36 1HM2 MFD 3 1HM2 MFD 3 -1.457 3.567 -2.487 37 2HM2 MFD 3 2HM2 MFD 3 0.125 4.378 -2.602 38 3HM2 MFD 3 3HM2 MFD 3 -0.323 3.124 -3.790 39 H7 MFD 3 H7 MFD 3 -4.337 -1.498 -1.935 40 H5 MFD 3 H5 MFD 3 -2.909 0.333 -3.070 41 H4 MFD 3 H4 MFD 3 -1.912 1.258 -0.335 42 1H' MFD 3 1H' MFD 3 -4.318 -1.232 2.023 43 2H' MFD 3 2H' MFD 3 -3.265 -1.429 0.642 44 H9 MFD 3 H9 MFD 3 -4.743 -3.233 -0.259 45 H8 MFD 3 H8 MFD 3 -6.219 -0.627 0.344 46 H4' MFD 3 H4' MFD 3 -1.192 -5.962 3.733 47 H3' MFD 3 H3' MFD 3 -2.578 -4.391 5.083 48 H2' MFD 3 H2' MFD 3 -3.833 -2.580 3.974 49 H6' MFD 3 H6' MFD 3 -2.350 -3.871 0.161 50 H5' MFD 3 H5' MFD 3 -1.086 -5.685 1.258 51 1HM9 MFD 3 1HM9 MFD 3 -7.455 -1.889 1.901 52 2HM9 MFD 3 2HM9 MFD 3 -7.435 -3.491 2.691 53 3HM9 MFD 3 3HM9 MFD 3 -6.143 -2.312 3.045 54 1HM8 MFD 3 1HM8 MFD 3 -7.441 -0.934 -1.810 55 2HM8 MFD 3 2HM8 MFD 3 -7.874 -2.193 -0.640 56 3HM8 MFD 3 3HM8 MFD 3 -6.767 -2.573 -1.977 57 1HM6 MFD 3 1HM6 MFD 3 -4.120 2.458 -0.295 58 2HM6 MFD 3 2HM6 MFD 3 -4.644 1.165 0.805 59 3HM6 MFD 3 3HM6 MFD 3 -5.766 1.798 -0.427 Start of MODEL 13 1 HN 2AS 1 HN 2AS 1 2.412 0.126 2.513 2 HB 2AS 1 HB 2AS 1 -0.334 -2.280 2.904 3 HA 2AS 1 HA 2AS 1 0.561 -0.613 4.698 4 1HBB 2AS 1 1HBB 2AS 1 0.787 -3.126 4.874 5 2HBB 2AS 1 2HBB 2AS 1 2.398 -2.858 4.161 6 3HBB 2AS 1 3HBB 2AS 1 1.289 -4.056 3.436 7 H ARG 2 HN ARG 2 -0.404 -2.294 0.639 8 HA ARG 2 HA ARG 2 2.132 -2.076 -0.854 9 1HB ARG 2 2HB ARG 2 -0.032 -4.223 -1.253 10 2HB ARG 2 1HB ARG 2 1.287 -3.871 -2.391 11 1HG ARG 2 1HG ARG 2 2.974 -4.527 -0.621 12 2HG ARG 2 2HG ARG 2 1.658 -4.879 0.501 13 1HD ARG 2 1HD ARG 2 2.456 -6.979 -0.457 14 2HD ARG 2 2HD ARG 2 0.806 -6.678 -1.023 15 HE ARG 2 HE ARG 2 2.665 -5.722 -3.047 16 1HH1 ARG 2 2HH2 ARG 2 1.479 -8.927 -1.699 17 2HH1 ARG 2 1HH2 ARG 2 1.801 -9.759 -3.168 18 1HH2 ARG 2 2HH1 ARG 2 3.097 -6.849 -5.023 19 2HH2 ARG 2 1HH1 ARG 2 2.757 -8.531 -5.132 20 H GLU 4 HN GLU 4 2.250 3.197 -0.359 21 HA GLU 4 HA GLU 4 4.257 2.156 -2.284 22 1HB GLU 4 2HB GLU 4 4.164 0.586 -0.475 23 2HB GLU 4 1HB GLU 4 5.674 1.478 -0.407 24 1HG GLU 4 2HG GLU 4 4.802 2.801 1.562 25 2HG GLU 4 1HG GLU 4 3.296 1.873 1.489 26 1HM MDH 5 1HM MDH 5 5.106 -0.213 5.378 27 2HM MDH 5 2HM MDH 5 6.433 -0.437 4.212 28 3HM MDH 5 3HM MDH 5 4.882 -1.307 3.984 29 HB MDH 5 HB MDH 5 3.295 3.568 4.846 30 1HG MDH 5 1HG MDH 5 6.182 3.092 3.833 31 2HG MDH 5 2HG MDH 5 5.685 4.112 5.198 32 3HG MDH 5 3HG MDH 5 5.197 4.539 3.537 33 1HN3 MFD 3 1HN3 MFD 3 0.887 0.160 -0.478 34 H2 MFD 3 H2 MFD 3 0.077 2.666 -0.781 35 H3 MFD 3 H3 MFD 3 -0.428 0.675 -3.033 36 1HM2 MFD 3 1HM2 MFD 3 -1.470 3.552 -2.489 37 2HM2 MFD 3 2HM2 MFD 3 0.107 4.374 -2.603 38 3HM2 MFD 3 3HM2 MFD 3 -0.336 3.123 -3.797 39 H7 MFD 3 H7 MFD 3 -4.231 -1.567 -2.004 40 H5 MFD 3 H5 MFD 3 -2.864 0.317 -3.145 41 H4 MFD 3 H4 MFD 3 -1.924 1.217 -0.380 42 1H' MFD 3 1H' MFD 3 -3.099 -1.635 0.439 43 2H' MFD 3 2H' MFD 3 -4.112 -1.221 1.807 44 H9 MFD 3 H9 MFD 3 -4.674 -3.355 -0.316 45 H8 MFD 3 H8 MFD 3 -6.146 -0.739 0.259 46 H4' MFD 3 H4' MFD 3 -1.208 -5.908 3.960 47 H3' MFD 3 H3' MFD 3 -2.536 -4.169 5.154 48 H2' MFD 3 H2' MFD 3 -3.722 -2.423 3.879 49 H6' MFD 3 H6' MFD 3 -2.285 -4.113 0.206 50 H5' MFD 3 H5' MFD 3 -1.088 -5.862 1.470 51 1HM9 MFD 3 1HM9 MFD 3 -7.391 -1.953 1.817 52 2HM9 MFD 3 2HM9 MFD 3 -7.228 -3.457 2.766 53 3HM9 MFD 3 3HM9 MFD 3 -6.001 -2.172 2.925 54 1HM8 MFD 3 1HM8 MFD 3 -7.382 -1.068 -1.874 55 2HM8 MFD 3 2HM8 MFD 3 -7.774 -2.343 -0.709 56 3HM8 MFD 3 3HM8 MFD 3 -6.675 -2.690 -2.062 57 1HM6 MFD 3 1HM6 MFD 3 -4.201 2.426 -0.437 58 2HM6 MFD 3 2HM6 MFD 3 -4.711 1.142 0.681 59 3HM6 MFD 3 3HM6 MFD 3 -5.818 1.705 -0.595 Start of MODEL 14 1 HN 2AS 1 HN 2AS 1 2.399 0.129 2.517 2 HB 2AS 1 HB 2AS 1 -0.334 -2.287 2.872 3 HA 2AS 1 HA 2AS 1 0.542 -0.614 4.692 4 1HBB 2AS 1 1HBB 2AS 1 0.768 -3.134 4.858 5 2HBB 2AS 1 2HBB 2AS 1 2.384 -2.863 4.160 6 3HBB 2AS 1 3HBB 2AS 1 1.281 -4.059 3.421 7 H ARG 2 HN ARG 2 -0.347 -2.343 0.598 8 HA ARG 2 HA ARG 2 2.189 -1.909 -0.832 9 1HB ARG 2 2HB ARG 2 0.189 -4.189 -1.340 10 2HB ARG 2 1HB ARG 2 1.495 -3.735 -2.451 11 1HG ARG 2 1HG ARG 2 1.928 -4.814 0.409 12 2HG ARG 2 2HG ARG 2 1.929 -5.804 -1.049 13 1HD ARG 2 1HD ARG 2 3.918 -4.571 -1.939 14 2HD ARG 2 2HD ARG 2 3.913 -3.509 -0.536 15 HE ARG 2 HE ARG 2 4.960 -5.209 0.765 16 1HH1 ARG 2 2HH2 ARG 2 3.849 -6.782 -2.365 17 2HH1 ARG 2 1HH2 ARG 2 4.729 -8.224 -2.047 18 1HH2 ARG 2 2HH1 ARG 2 6.139 -7.152 1.184 19 2HH2 ARG 2 1HH1 ARG 2 6.080 -8.442 0.049 20 H GLU 4 HN GLU 4 2.261 3.175 -0.379 21 HA GLU 4 HA GLU 4 4.236 2.062 -2.300 22 1HB GLU 4 2HB GLU 4 4.143 0.532 -0.458 23 2HB GLU 4 1HB GLU 4 5.663 1.411 -0.421 24 1HG GLU 4 2HG GLU 4 4.819 2.781 1.530 25 2HG GLU 4 1HG GLU 4 3.302 1.869 1.485 26 1HM MDH 5 1HM MDH 5 5.045 -0.211 5.391 27 2HM MDH 5 2HM MDH 5 6.414 -0.409 4.268 28 3HM MDH 5 3HM MDH 5 4.884 -1.301 3.986 29 HB MDH 5 HB MDH 5 3.256 3.591 4.789 30 1HG MDH 5 1HG MDH 5 6.147 3.118 3.782 31 2HG MDH 5 2HG MDH 5 5.645 4.164 5.125 32 3HG MDH 5 3HG MDH 5 5.147 4.549 3.457 33 1HN3 MFD 3 1HN3 MFD 3 0.826 0.201 -0.422 34 H2 MFD 3 H2 MFD 3 0.083 2.705 -0.781 35 H3 MFD 3 H3 MFD 3 -0.474 0.682 -2.992 36 1HM2 MFD 3 1HM2 MFD 3 -1.463 3.592 -2.490 37 2HM2 MFD 3 2HM2 MFD 3 0.131 4.373 -2.640 38 3HM2 MFD 3 3HM2 MFD 3 -0.356 3.108 -3.802 39 H7 MFD 3 H7 MFD 3 -4.755 -1.094 -2.452 40 H5 MFD 3 H5 MFD 3 -2.893 0.408 -3.130 41 H4 MFD 3 H4 MFD 3 -1.971 1.309 -0.359 42 1H' MFD 3 1H' MFD 3 -4.091 -1.876 0.077 43 2H' MFD 3 2H' MFD 3 -5.188 -1.399 1.355 44 H9 MFD 3 H9 MFD 3 -5.894 -2.937 -1.195 45 H8 MFD 3 H8 MFD 3 -6.720 -0.139 -0.284 46 H4' MFD 3 H4' MFD 3 -4.036 -6.986 2.939 47 H3' MFD 3 H3' MFD 3 -3.395 -6.586 0.563 48 H2' MFD 3 H2' MFD 3 -3.845 -4.400 -0.489 49 H6' MFD 3 H6' MFD 3 -5.567 -2.978 3.175 50 H5' MFD 3 H5' MFD 3 -5.126 -5.160 4.237 51 1HM9 MFD 3 1HM9 MFD 3 -8.522 -1.188 0.784 52 2HM9 MFD 3 2HM9 MFD 3 -8.896 -2.802 1.452 53 3HM9 MFD 3 3HM9 MFD 3 -7.444 -1.924 2.009 54 1HM8 MFD 3 1HM8 MFD 3 -7.630 0.246 -2.567 55 2HM8 MFD 3 2HM8 MFD 3 -8.525 -1.039 -1.739 56 3HM8 MFD 3 3HM8 MFD 3 -7.340 -1.457 -2.996 57 1HM6 MFD 3 1HM6 MFD 3 -4.057 2.546 -0.287 58 2HM6 MFD 3 2HM6 MFD 3 -4.719 1.210 0.685 59 3HM6 MFD 3 3HM6 MFD 3 -5.750 2.059 -0.494 Start of MODEL 15 1 HN 2AS 1 HN 2AS 1 2.356 0.140 2.482 2 HB 2AS 1 HB 2AS 1 -0.290 -2.368 2.878 3 HA 2AS 1 HA 2AS 1 0.548 -0.651 4.681 4 1HBB 2AS 1 1HBB 2AS 1 0.852 -3.151 4.868 5 2HBB 2AS 1 2HBB 2AS 1 2.454 -2.832 4.157 6 3HBB 2AS 1 3HBB 2AS 1 1.390 -4.074 3.439 7 H ARG 2 HN ARG 2 -0.323 -2.375 0.601 8 HA ARG 2 HA ARG 2 2.193 -1.874 -0.840 9 1HB ARG 2 2HB ARG 2 0.224 -4.172 -1.380 10 2HB ARG 2 1HB ARG 2 1.505 -3.669 -2.499 11 1HG ARG 2 1HG ARG 2 2.004 -4.806 0.327 12 2HG ARG 2 2HG ARG 2 1.992 -5.763 -1.153 13 1HD ARG 2 1HD ARG 2 3.942 -4.468 -2.052 14 2HD ARG 2 2HD ARG 2 3.954 -3.455 -0.613 15 HE ARG 2 HE ARG 2 5.034 -5.192 0.617 16 1HH1 ARG 2 2HH2 ARG 2 3.938 -6.647 -2.578 17 2HH1 ARG 2 1HH2 ARG 2 4.855 -8.080 -2.330 18 1HH2 ARG 2 2HH1 ARG 2 6.262 -7.122 0.938 19 2HH2 ARG 2 1HH1 ARG 2 6.226 -8.360 -0.254 20 H GLU 4 HN GLU 4 2.323 3.199 -0.406 21 HA GLU 4 HA GLU 4 4.233 1.969 -2.322 22 1HB GLU 4 2HB GLU 4 4.120 0.505 -0.426 23 2HB GLU 4 1HB GLU 4 5.667 1.334 -0.441 24 1HG GLU 4 2HG GLU 4 4.892 2.794 1.480 25 2HG GLU 4 1HG GLU 4 3.344 1.932 1.476 26 1HM MDH 5 1HM MDH 5 4.960 -0.183 5.396 27 2HM MDH 5 2HM MDH 5 6.368 -0.364 4.320 28 3HM MDH 5 3HM MDH 5 4.860 -1.273 3.986 29 HB MDH 5 HB MDH 5 3.157 3.611 4.719 30 1HG MDH 5 1HG MDH 5 6.067 3.180 3.755 31 2HG MDH 5 2HG MDH 5 5.531 4.230 5.081 32 3HG MDH 5 3HG MDH 5 5.046 4.589 3.403 33 1HN3 MFD 3 1HN3 MFD 3 0.809 0.207 -0.366 34 H2 MFD 3 H2 MFD 3 0.134 2.736 -0.736 35 H3 MFD 3 H3 MFD 3 -0.534 0.713 -2.916 36 1HM2 MFD 3 1HM2 MFD 3 -1.428 3.650 -2.417 37 2HM2 MFD 3 2HM2 MFD 3 0.181 4.388 -2.612 38 3HM2 MFD 3 3HM2 MFD 3 -0.365 3.127 -3.750 39 H7 MFD 3 H7 MFD 3 -4.835 -0.983 -2.154 40 H5 MFD 3 H5 MFD 3 -2.970 0.489 -2.966 41 H4 MFD 3 H4 MFD 3 -1.929 1.398 -0.241 42 1H' MFD 3 1H' MFD 3 -4.038 -1.675 0.396 43 2H' MFD 3 2H' MFD 3 -5.084 -1.078 1.673 44 H9 MFD 3 H9 MFD 3 -5.984 -2.779 -0.712 45 H8 MFD 3 H8 MFD 3 -6.668 0.090 0.084 46 H4' MFD 3 H4' MFD 3 -4.094 -6.569 3.631 47 H3' MFD 3 H3' MFD 3 -5.313 -4.698 4.737 48 H2' MFD 3 H2' MFD 3 -5.699 -2.583 3.524 49 H6' MFD 3 H6' MFD 3 -3.663 -4.162 0.095 50 H5' MFD 3 H5' MFD 3 -3.268 -6.283 1.296 51 1HM9 MFD 3 1HM9 MFD 3 -7.507 -4.365 0.406 52 2HM9 MFD 3 2HM9 MFD 3 -8.961 -3.521 1.025 53 3HM9 MFD 3 3HM9 MFD 3 -8.461 -3.304 -0.680 54 1HM8 MFD 3 1HM8 MFD 3 -7.688 0.392 -2.177 55 2HM8 MFD 3 2HM8 MFD 3 -8.563 -0.814 -1.221 56 3HM8 MFD 3 3HM8 MFD 3 -7.469 -1.341 -2.521 57 1HM6 MFD 3 1HM6 MFD 3 -3.975 2.697 -0.110 58 2HM6 MFD 3 2HM6 MFD 3 -4.662 1.398 0.895 59 3HM6 MFD 3 3HM6 MFD 3 -5.686 2.259 -0.280 Start of MODEL 16 1 HN 2AS 1 HN 2AS 1 2.473 0.110 2.548 2 HB 2AS 1 HB 2AS 1 -0.340 -2.246 2.841 3 HA 2AS 1 HA 2AS 1 0.582 -0.656 4.685 4 1HBB 2AS 1 1HBB 2AS 1 0.786 -3.186 4.775 5 2HBB 2AS 1 2HBB 2AS 1 2.391 -2.945 4.040 6 3HBB 2AS 1 3HBB 2AS 1 1.228 -4.080 3.296 7 H ARG 2 HN ARG 2 -0.394 -2.387 0.590 8 HA ARG 2 HA ARG 2 2.118 -1.971 -0.908 9 1HB ARG 2 2HB ARG 2 0.085 -4.227 -1.363 10 2HB ARG 2 1HB ARG 2 1.366 -3.761 -2.505 11 1HG ARG 2 1HG ARG 2 3.112 -4.316 -0.780 12 2HG ARG 2 2HG ARG 2 1.859 -4.851 0.340 13 1HD ARG 2 1HD ARG 2 2.458 -6.132 -2.400 14 2HD ARG 2 2HD ARG 2 2.982 -6.746 -0.838 15 HE ARG 2 HE ARG 2 0.706 -7.463 -0.318 16 1HH1 ARG 2 2HH2 ARG 2 0.830 -6.061 -3.717 17 2HH1 ARG 2 1HH2 ARG 2 -0.670 -6.780 -4.150 18 1HH2 ARG 2 2HH1 ARG 2 -1.303 -8.423 -0.915 19 2HH2 ARG 2 1HH1 ARG 2 -1.928 -8.173 -2.497 20 H GLU 4 HN GLU 4 2.247 3.124 -0.370 21 HA GLU 4 HA GLU 4 4.250 2.016 -2.267 22 1HB GLU 4 2HB GLU 4 4.217 0.532 -0.392 23 2HB GLU 4 1HB GLU 4 5.704 1.466 -0.379 24 1HG GLU 4 2HG GLU 4 4.811 2.842 1.551 25 2HG GLU 4 1HG GLU 4 3.328 1.876 1.521 26 1HM MDH 5 1HM MDH 5 5.108 -0.109 5.454 27 2HM MDH 5 2HM MDH 5 6.503 -0.245 4.355 28 3HM MDH 5 3HM MDH 5 5.024 -1.213 4.054 29 HB MDH 5 HB MDH 5 3.183 3.615 4.811 30 1HG MDH 5 1HG MDH 5 6.098 3.248 3.833 31 2HG MDH 5 2HG MDH 5 5.544 4.281 5.166 32 3HG MDH 5 3HG MDH 5 5.047 4.638 3.491 33 1HN3 MFD 3 1HN3 MFD 3 0.735 0.169 -0.440 34 H2 MFD 3 H2 MFD 3 0.095 2.668 -0.786 35 H3 MFD 3 H3 MFD 3 -0.475 0.690 -3.041 36 1HM2 MFD 3 1HM2 MFD 3 -1.395 3.639 -2.509 37 2HM2 MFD 3 2HM2 MFD 3 0.227 4.365 -2.612 38 3HM2 MFD 3 3HM2 MFD 3 -0.279 3.141 -3.808 39 H7 MFD 3 H7 MFD 3 -5.238 0.636 -3.549 40 H5 MFD 3 H5 MFD 3 -2.893 0.657 -3.321 41 H4 MFD 3 H4 MFD 3 -2.041 1.341 -0.461 42 1H' MFD 3 1H' MFD 3 -6.577 2.026 -5.060 43 2H' MFD 3 2H' MFD 3 -5.584 2.901 -3.846 44 H9 MFD 3 H9 MFD 3 -7.342 2.895 -2.268 45 H8 MFD 3 H8 MFD 3 -7.323 -0.122 -2.721 46 H4' MFD 3 H4' MFD 3 -8.682 7.460 -5.855 47 H3' MFD 3 H3' MFD 3 -9.273 5.352 -7.047 48 H2' MFD 3 H2' MFD 3 -8.335 3.197 -6.291 49 H6' MFD 3 H6' MFD 3 -6.209 5.209 -3.154 50 H5' MFD 3 H5' MFD 3 -7.138 7.370 -3.900 51 1HM9 MFD 3 1HM9 MFD 3 -9.586 3.861 -2.921 52 2HM9 MFD 3 2HM9 MFD 3 -10.766 2.526 -3.077 53 3HM9 MFD 3 3HM9 MFD 3 -9.754 2.655 -1.607 54 1HM8 MFD 3 1HM8 MFD 3 -7.048 -0.304 -0.400 55 2HM8 MFD 3 2HM8 MFD 3 -8.585 0.358 -0.931 56 3HM8 MFD 3 3HM8 MFD 3 -7.396 1.420 -0.162 57 1HM6 MFD 3 1HM6 MFD 3 -3.915 2.489 -0.145 58 2HM6 MFD 3 2HM6 MFD 3 -5.092 1.209 0.342 59 3HM6 MFD 3 3HM6 MFD 3 -5.575 2.567 -0.721 Start of MODEL 17 1 HN 2AS 1 HN 2AS 1 2.481 0.134 2.544 2 HB 2AS 1 HB 2AS 1 -0.327 -2.230 2.833 3 HA 2AS 1 HA 2AS 1 0.582 -0.644 4.668 4 1HBB 2AS 1 1HBB 2AS 1 0.860 -3.180 4.730 5 2HBB 2AS 1 2HBB 2AS 1 2.441 -2.912 3.956 6 3HBB 2AS 1 3HBB 2AS 1 1.270 -4.050 3.228 7 H ARG 2 HN ARG 2 -0.407 -2.464 0.595 8 HA ARG 2 HA ARG 2 2.072 -2.015 -0.951 9 1HB ARG 2 2HB ARG 2 0.006 -4.247 -1.406 10 2HB ARG 2 1HB ARG 2 1.312 -3.826 -2.526 11 1HG ARG 2 1HG ARG 2 1.740 -4.913 0.329 12 2HG ARG 2 2HG ARG 2 1.715 -5.902 -1.129 13 1HD ARG 2 1HD ARG 2 3.694 -4.734 -2.046 14 2HD ARG 2 2HD ARG 2 3.768 -3.653 -0.660 15 HE ARG 2 HE ARG 2 4.811 -6.398 -0.781 16 1HH1 ARG 2 2HH2 ARG 2 3.584 -3.924 1.643 17 2HH1 ARG 2 1HH2 ARG 2 4.547 -4.570 2.911 18 1HH2 ARG 2 2HH1 ARG 2 6.101 -7.257 0.938 19 2HH2 ARG 2 1HH1 ARG 2 6.027 -6.536 2.496 20 H GLU 4 HN GLU 4 2.264 3.163 -0.363 21 HA GLU 4 HA GLU 4 4.276 2.076 -2.259 22 1HB GLU 4 2HB GLU 4 4.248 0.559 -0.403 23 2HB GLU 4 1HB GLU 4 5.727 1.505 -0.366 24 1HG GLU 4 2HG GLU 4 4.823 2.848 1.570 25 2HG GLU 4 1HG GLU 4 3.337 1.891 1.521 26 1HM MDH 5 1HM MDH 5 5.098 -0.128 5.450 27 2HM MDH 5 2HM MDH 5 6.495 -0.268 4.353 28 3HM MDH 5 3HM MDH 5 5.008 -1.221 4.042 29 HB MDH 5 HB MDH 5 3.213 3.621 4.826 30 1HG MDH 5 1HG MDH 5 6.125 3.230 3.850 31 2HG MDH 5 2HG MDH 5 5.586 4.249 5.199 32 3HG MDH 5 3HG MDH 5 5.092 4.639 3.531 33 1HN3 MFD 3 1HN3 MFD 3 0.714 0.107 -0.432 34 H2 MFD 3 H2 MFD 3 0.118 2.624 -0.737 35 H3 MFD 3 H3 MFD 3 -0.488 0.694 -3.027 36 1HM2 MFD 3 1HM2 MFD 3 -1.360 3.642 -2.447 37 2HM2 MFD 3 2HM2 MFD 3 0.270 4.353 -2.532 38 3HM2 MFD 3 3HM2 MFD 3 -0.245 3.155 -3.751 39 H7 MFD 3 H7 MFD 3 -5.238 0.455 -3.472 40 H5 MFD 3 H5 MFD 3 -2.915 0.698 -3.277 41 H4 MFD 3 H4 MFD 3 -2.014 1.334 -0.422 42 1H' MFD 3 1H' MFD 3 -5.861 2.851 -3.686 43 2H' MFD 3 2H' MFD 3 -7.125 3.319 -2.569 44 H9 MFD 3 H9 MFD 3 -8.525 1.410 -3.686 45 H8 MFD 3 H8 MFD 3 -7.213 -0.320 -2.377 46 H4' MFD 3 H4' MFD 3 -9.157 6.351 -7.157 47 H3' MFD 3 H3' MFD 3 -10.594 5.165 -5.501 48 H2' MFD 3 H2' MFD 3 -9.585 3.604 -3.879 49 H6' MFD 3 H6' MFD 3 -5.700 4.386 -5.527 50 H5' MFD 3 H5' MFD 3 -6.697 5.952 -7.152 51 1HM9 MFD 3 1HM9 MFD 3 -6.682 1.955 -6.371 52 2HM9 MFD 3 2HM9 MFD 3 -7.225 0.293 -6.737 53 3HM9 MFD 3 3HM9 MFD 3 -8.403 1.491 -6.114 54 1HM8 MFD 3 1HM8 MFD 3 -7.319 0.558 -0.187 55 2HM8 MFD 3 2HM8 MFD 3 -8.739 1.025 -1.122 56 3HM8 MFD 3 3HM8 MFD 3 -7.501 2.230 -0.744 57 1HM6 MFD 3 1HM6 MFD 3 -3.859 2.240 0.141 58 2HM6 MFD 3 2HM6 MFD 3 -5.237 1.121 0.355 59 3HM6 MFD 3 3HM6 MFD 3 -5.428 2.655 -0.546 Start of MODEL 18 1 HN 2AS 1 HN 2AS 1 2.446 0.130 2.502 2 HB 2AS 1 HB 2AS 1 -0.359 -2.239 2.903 3 HA 2AS 1 HA 2AS 1 0.535 -0.572 4.658 4 1HBB 2AS 1 1HBB 2AS 1 0.777 -3.090 4.864 5 2HBB 2AS 1 2HBB 2AS 1 2.381 -2.849 4.127 6 3HBB 2AS 1 3HBB 2AS 1 1.246 -4.036 3.425 7 H ARG 2 HN ARG 2 -0.465 -2.286 0.655 8 HA ARG 2 HA ARG 2 2.052 -2.213 -0.891 9 1HB ARG 2 2HB ARG 2 -0.233 -4.249 -1.203 10 2HB ARG 2 1HB ARG 2 1.087 -4.006 -2.366 11 1HG ARG 2 1HG ARG 2 2.763 -4.732 -0.667 12 2HG ARG 2 2HG ARG 2 1.492 -4.932 0.548 13 1HD ARG 2 1HD ARG 2 0.388 -6.685 -0.836 14 2HD ARG 2 2HD ARG 2 1.613 -6.516 -2.090 15 HE ARG 2 HE ARG 2 1.905 -7.991 0.475 16 1HH1 ARG 2 2HH2 ARG 2 3.844 -6.509 -2.274 17 2HH1 ARG 2 1HH2 ARG 2 5.197 -7.526 -1.975 18 1HH2 ARG 2 2HH1 ARG 2 3.733 -9.352 0.870 19 2HH2 ARG 2 1HH1 ARG 2 5.131 -9.204 -0.119 20 H GLU 4 HN GLU 4 2.253 3.229 -0.334 21 HA GLU 4 HA GLU 4 4.284 2.250 -2.261 22 1HB GLU 4 2HB GLU 4 4.212 0.638 -0.473 23 2HB GLU 4 1HB GLU 4 5.705 1.556 -0.391 24 1HG GLU 4 2HG GLU 4 4.814 2.838 1.591 25 2HG GLU 4 1HG GLU 4 3.320 1.895 1.506 26 1HM MDH 5 1HM MDH 5 5.094 -0.236 5.368 27 2HM MDH 5 2HM MDH 5 6.489 -0.350 4.265 28 3HM MDH 5 3HM MDH 5 5.002 -1.295 3.934 29 HB MDH 5 HB MDH 5 3.293 3.556 4.877 30 1HG MDH 5 1HG MDH 5 6.188 3.120 3.870 31 2HG MDH 5 2HG MDH 5 5.677 4.114 5.249 32 3HG MDH 5 3HG MDH 5 5.190 4.564 3.594 33 1HN3 MFD 3 1HN3 MFD 3 0.911 0.093 -0.524 34 H2 MFD 3 H2 MFD 3 0.087 2.592 -0.739 35 H3 MFD 3 H3 MFD 3 -0.407 0.676 -3.058 36 1HM2 MFD 3 1HM2 MFD 3 -1.448 3.541 -2.430 37 2HM2 MFD 3 2HM2 MFD 3 0.127 4.369 -2.490 38 3HM2 MFD 3 3HM2 MFD 3 -0.296 3.166 -3.739 39 H7 MFD 3 H7 MFD 3 -4.335 -1.525 -2.002 40 H5 MFD 3 H5 MFD 3 -2.871 0.294 -3.148 41 H4 MFD 3 H4 MFD 3 -1.898 1.202 -0.398 42 1H' MFD 3 1H' MFD 3 -4.289 -1.016 1.913 43 2H' MFD 3 2H' MFD 3 -3.221 -1.407 0.575 44 H9 MFD 3 H9 MFD 3 -4.834 -3.252 -0.116 45 H8 MFD 3 H8 MFD 3 -6.218 -0.555 0.249 46 H4' MFD 3 H4' MFD 3 -1.418 -5.654 4.197 47 H3' MFD 3 H3' MFD 3 -1.295 -5.690 1.708 48 H2' MFD 3 H2' MFD 3 -2.446 -3.951 0.387 49 H6' MFD 3 H6' MFD 3 -3.855 -2.118 4.002 50 H5' MFD 3 H5' MFD 3 -2.705 -3.848 5.335 51 1HM9 MFD 3 1HM9 MFD 3 -5.439 -4.690 2.073 52 2HM9 MFD 3 2HM9 MFD 3 -7.192 -4.389 2.267 53 3HM9 MFD 3 3HM9 MFD 3 -6.528 -4.771 0.650 54 1HM8 MFD 3 1HM8 MFD 3 -7.427 -0.994 -1.901 55 2HM8 MFD 3 2HM8 MFD 3 -7.873 -2.156 -0.642 56 3HM8 MFD 3 3HM8 MFD 3 -6.765 -2.646 -1.944 57 1HM6 MFD 3 1HM6 MFD 3 -4.084 2.447 -0.395 58 2HM6 MFD 3 2HM6 MFD 3 -4.631 1.164 0.706 59 3HM6 MFD 3 3HM6 MFD 3 -5.735 1.798 -0.539 Start of MODEL 19 1 HN 2AS 1 HN 2AS 1 2.475 0.143 2.520 2 HB 2AS 1 HB 2AS 1 -0.338 -2.227 2.825 3 HA 2AS 1 HA 2AS 1 0.561 -0.620 4.638 4 1HBB 2AS 1 1HBB 2AS 1 0.853 -3.115 4.759 5 2HBB 2AS 1 2HBB 2AS 1 2.429 -2.895 3.959 6 3HBB 2AS 1 3HBB 2AS 1 1.236 -4.044 3.288 7 H ARG 2 HN ARG 2 -0.414 -2.483 0.590 8 HA ARG 2 HA ARG 2 2.066 -2.076 -0.968 9 1HB ARG 2 2HB ARG 2 -0.024 -4.292 -1.403 10 2HB ARG 2 1HB ARG 2 1.163 -3.767 -2.608 11 1HG ARG 2 1HG ARG 2 1.982 -5.789 -1.681 12 2HG ARG 2 2HG ARG 2 3.050 -4.483 -1.190 13 1HD ARG 2 1HD ARG 2 2.710 -6.173 0.605 14 2HD ARG 2 2HD ARG 2 2.211 -4.578 1.127 15 HE ARG 2 HE ARG 2 -0.033 -5.368 1.382 16 1HH1 ARG 2 2HH2 ARG 2 1.791 -7.932 -0.519 17 2HH1 ARG 2 1HH2 ARG 2 0.502 -9.061 -0.386 18 1HH2 ARG 2 2HH1 ARG 2 -1.759 -6.893 1.553 19 2HH2 ARG 2 1HH1 ARG 2 -1.594 -8.447 0.837 20 H GLU 4 HN GLU 4 2.288 3.193 -0.364 21 HA GLU 4 HA GLU 4 4.281 2.076 -2.262 22 1HB GLU 4 2HB GLU 4 4.253 0.568 -0.399 23 2HB GLU 4 1HB GLU 4 5.738 1.507 -0.371 24 1HG GLU 4 2HG GLU 4 4.844 2.861 1.565 25 2HG GLU 4 1HG GLU 4 3.352 1.910 1.520 26 1HM MDH 5 1HM MDH 5 5.081 -0.124 5.447 27 2HM MDH 5 2HM MDH 5 6.482 -0.268 4.357 28 3HM MDH 5 3HM MDH 5 4.994 -1.216 4.037 29 HB MDH 5 HB MDH 5 3.198 3.624 4.815 30 1HG MDH 5 1HG MDH 5 6.116 3.238 3.853 31 2HG MDH 5 2HG MDH 5 5.568 4.255 5.201 32 3HG MDH 5 3HG MDH 5 5.082 4.645 3.530 33 1HN3 MFD 3 1HN3 MFD 3 0.740 0.089 -0.417 34 H2 MFD 3 H2 MFD 3 0.141 2.611 -0.692 35 H3 MFD 3 H3 MFD 3 -0.476 0.703 -2.997 36 1HM2 MFD 3 1HM2 MFD 3 -1.357 3.649 -2.374 37 2HM2 MFD 3 2HM2 MFD 3 0.273 4.357 -2.475 38 3HM2 MFD 3 3HM2 MFD 3 -0.261 3.170 -3.697 39 H7 MFD 3 H7 MFD 3 -4.904 2.273 -3.318 40 H5 MFD 3 H5 MFD 3 -2.905 0.774 -3.274 41 H4 MFD 3 H4 MFD 3 -2.013 1.335 -0.398 42 1H' MFD 3 1H' MFD 3 -5.390 4.667 -3.516 43 2H' MFD 3 2H' MFD 3 -4.487 4.157 -2.051 44 H9 MFD 3 H9 MFD 3 -6.481 3.838 -0.824 45 H8 MFD 3 H8 MFD 3 -7.246 1.996 -3.136 46 H4' MFD 3 H4' MFD 3 -5.543 9.705 -0.483 47 H3' MFD 3 H3' MFD 3 -6.420 9.210 -2.763 48 H2' MFD 3 H2' MFD 3 -6.367 6.902 -3.637 49 H6' MFD 3 H6' MFD 3 -4.564 5.549 0.014 50 H5' MFD 3 H5' MFD 3 -4.611 7.852 0.900 51 1HM9 MFD 3 1HM9 MFD 3 -8.137 5.730 -0.627 52 2HM9 MFD 3 2HM9 MFD 3 -9.586 5.340 -1.600 53 3HM9 MFD 3 3HM9 MFD 3 -8.945 4.143 -0.435 54 1HM8 MFD 3 1HM8 MFD 3 -7.570 0.352 -1.496 55 2HM8 MFD 3 2HM8 MFD 3 -8.681 1.709 -1.438 56 3HM8 MFD 3 3HM8 MFD 3 -7.437 1.546 -0.188 57 1HM6 MFD 3 1HM6 MFD 3 -3.917 0.885 0.457 58 2HM6 MFD 3 2HM6 MFD 3 -5.535 0.291 -0.039 59 3HM6 MFD 3 3HM6 MFD 3 -5.213 2.045 0.129 Start of MODEL 20 1 HN 2AS 1 HN 2AS 1 2.347 0.096 2.495 2 HB 2AS 1 HB 2AS 1 -0.233 -2.457 2.841 3 HA 2AS 1 HA 2AS 1 0.615 -0.779 4.705 4 1HBB 2AS 1 1HBB 2AS 1 0.935 -3.293 4.791 5 2HBB 2AS 1 2HBB 2AS 1 2.527 -2.912 4.088 6 3HBB 2AS 1 3HBB 2AS 1 1.486 -4.147 3.325 7 H ARG 2 HN ARG 2 -0.276 -2.418 0.566 8 HA ARG 2 HA ARG 2 2.198 -1.726 -0.863 9 1HB ARG 2 2HB ARG 2 0.389 -4.136 -1.455 10 2HB ARG 2 1HB ARG 2 1.545 -3.466 -2.619 11 1HG ARG 2 1HG ARG 2 2.284 -4.698 0.109 12 2HG ARG 2 2HG ARG 2 2.371 -5.537 -1.435 13 1HD ARG 2 1HD ARG 2 4.082 -3.092 -0.658 14 2HD ARG 2 2HD ARG 2 4.596 -4.770 -0.667 15 HE ARG 2 HE ARG 2 4.534 -4.790 -3.138 16 1HH1 ARG 2 2HH2 ARG 2 4.086 -1.388 -1.810 17 2HH1 ARG 2 1HH2 ARG 2 4.511 -0.667 -3.311 18 1HH2 ARG 2 2HH1 ARG 2 5.102 -3.805 -5.140 19 2HH2 ARG 2 1HH1 ARG 2 5.111 -2.091 -5.272 20 H GLU 4 HN GLU 4 2.392 3.113 -0.427 21 HA GLU 4 HA GLU 4 4.182 1.684 -2.323 22 1HB GLU 4 2HB GLU 4 4.078 0.418 -0.289 23 2HB GLU 4 1HB GLU 4 5.660 1.161 -0.449 24 1HG GLU 4 2HG GLU 4 5.039 2.826 1.370 25 2HG GLU 4 1HG GLU 4 3.441 2.066 1.480 26 1HM MDH 5 1HM MDH 5 4.840 -0.069 5.445 27 2HM MDH 5 2HM MDH 5 6.326 -0.191 4.471 28 3HM MDH 5 3HM MDH 5 4.886 -1.167 4.038 29 HB MDH 5 HB MDH 5 2.937 3.671 4.559 30 1HG MDH 5 1HG MDH 5 5.895 3.363 3.699 31 2HG MDH 5 2HG MDH 5 5.248 4.465 4.930 32 3HG MDH 5 3HG MDH 5 4.801 4.678 3.217 33 1HN3 MFD 3 1HN3 MFD 3 0.716 0.251 -0.299 34 H2 MFD 3 H2 MFD 3 0.191 2.789 -0.711 35 H3 MFD 3 H3 MFD 3 -0.629 0.772 -2.849 36 1HM2 MFD 3 1HM2 MFD 3 -1.372 3.757 -2.364 37 2HM2 MFD 3 2HM2 MFD 3 0.266 4.411 -2.608 38 3HM2 MFD 3 3HM2 MFD 3 -0.371 3.167 -3.717 39 H7 MFD 3 H7 MFD 3 -5.376 0.198 -2.715 40 H5 MFD 3 H5 MFD 3 -3.067 0.789 -2.908 41 H4 MFD 3 H4 MFD 3 -1.945 1.523 -0.158 42 1H' MFD 3 1H' MFD 3 -6.761 -2.596 -0.294 43 2H' MFD 3 2H' MFD 3 -5.720 -1.250 0.042 44 H9 MFD 3 H9 MFD 3 -7.059 -1.293 -2.194 45 H8 MFD 3 H8 MFD 3 -7.047 1.004 -0.245 46 H4' MFD 3 H4' MFD 3 -9.340 -0.890 4.696 47 H3' MFD 3 H3' MFD 3 -10.058 -2.670 3.106 48 H2' MFD 3 H2' MFD 3 -8.889 -2.952 0.954 49 H6' MFD 3 H6' MFD 3 -6.267 0.296 1.942 50 H5' MFD 3 H5' MFD 3 -7.427 0.591 4.092 51 1HM9 MFD 3 1HM9 MFD 3 -9.167 -2.072 -2.942 52 2HM9 MFD 3 2HM9 MFD 3 -10.557 -1.159 -2.267 53 3HM9 MFD 3 3HM9 MFD 3 -9.272 -0.299 -3.163 54 1HM8 MFD 3 1HM8 MFD 3 -7.345 2.700 -2.041 55 2HM8 MFD 3 2HM8 MFD 3 -8.819 1.733 -1.829 56 3HM8 MFD 3 3HM8 MFD 3 -7.739 1.417 -3.212 57 1HM6 MFD 3 1HM6 MFD 3 -3.821 2.780 0.285 58 2HM6 MFD 3 2HM6 MFD 3 -4.491 1.294 1.015 59 3HM6 MFD 3 3HM6 MFD 3 -5.563 2.486 0.237 Start of MODEL 21 1 HN 2AS 1 HN 2AS 1 2.485 0.102 2.557 2 HB 2AS 1 HB 2AS 1 -0.357 -2.219 2.836 3 HA 2AS 1 HA 2AS 1 0.570 -0.637 4.683 4 1HBB 2AS 1 1HBB 2AS 1 0.749 -3.175 4.774 5 2HBB 2AS 1 2HBB 2AS 1 2.360 -2.952 4.046 6 3HBB 2AS 1 3HBB 2AS 1 1.187 -4.072 3.296 7 H ARG 2 HN ARG 2 -0.398 -2.387 0.584 8 HA ARG 2 HA ARG 2 2.122 -1.978 -0.901 9 1HB ARG 2 2HB ARG 2 0.094 -4.239 -1.359 10 2HB ARG 2 1HB ARG 2 1.377 -3.764 -2.496 11 1HG ARG 2 1HG ARG 2 3.123 -4.350 -0.771 12 2HG ARG 2 2HG ARG 2 1.854 -4.819 0.360 13 1HD ARG 2 1HD ARG 2 2.794 -6.826 -0.635 14 2HD ARG 2 2HD ARG 2 1.129 -6.670 -1.177 15 HE ARG 2 HE ARG 2 3.607 -6.342 -2.884 16 1HH1 ARG 2 2HH2 ARG 2 -0.071 -6.420 -2.879 17 2HH1 ARG 2 1HH2 ARG 2 -0.146 -6.579 -4.589 18 1HH2 ARG 2 2HH1 ARG 2 3.490 -6.556 -5.177 19 2HH2 ARG 2 1HH1 ARG 2 1.955 -6.660 -5.943 20 H GLU 4 HN GLU 4 2.235 3.116 -0.358 21 HA GLU 4 HA GLU 4 4.247 2.041 -2.263 22 1HB GLU 4 2HB GLU 4 4.217 0.540 -0.401 23 2HB GLU 4 1HB GLU 4 5.701 1.479 -0.378 24 1HG GLU 4 2HG GLU 4 4.804 2.837 1.559 25 2HG GLU 4 1HG GLU 4 3.322 1.870 1.523 26 1HM MDH 5 1HM MDH 5 5.123 -0.122 5.448 27 2HM MDH 5 2HM MDH 5 6.509 -0.265 4.338 28 3HM MDH 5 3HM MDH 5 5.022 -1.225 4.048 29 HB MDH 5 HB MDH 5 3.216 3.610 4.828 30 1HG MDH 5 1HG MDH 5 6.122 3.227 3.830 31 2HG MDH 5 2HG MDH 5 5.590 4.246 5.182 32 3HG MDH 5 3HG MDH 5 5.081 4.631 3.517 33 1HN3 MFD 3 1HN3 MFD 3 0.742 0.164 -0.449 34 H2 MFD 3 H2 MFD 3 0.086 2.657 -0.786 35 H3 MFD 3 H3 MFD 3 -0.460 0.684 -3.053 36 1HM2 MFD 3 1HM2 MFD 3 -1.409 3.626 -2.503 37 2HM2 MFD 3 2HM2 MFD 3 0.209 4.362 -2.608 38 3HM2 MFD 3 3HM2 MFD 3 -0.294 3.139 -3.806 39 H7 MFD 3 H7 MFD 3 -5.149 0.199 -3.563 40 H5 MFD 3 H5 MFD 3 -2.865 0.630 -3.347 41 H4 MFD 3 H4 MFD 3 -2.044 1.311 -0.479 42 1H' MFD 3 1H' MFD 3 -7.981 2.872 -2.989 43 2H' MFD 3 2H' MFD 3 -6.298 2.869 -3.470 44 H9 MFD 3 H9 MFD 3 -8.443 0.743 -3.997 45 H8 MFD 3 H8 MFD 3 -7.150 -0.609 -2.422 46 H4' MFD 3 H4' MFD 3 -8.747 5.071 -8.397 47 H3' MFD 3 H3' MFD 3 -6.339 4.809 -7.809 48 H2' MFD 3 H2' MFD 3 -5.693 3.669 -5.716 49 H6' MFD 3 H6' MFD 3 -9.828 3.040 -4.765 50 H5' MFD 3 H5' MFD 3 -10.489 4.177 -6.855 51 1HM9 MFD 3 1HM9 MFD 3 -8.205 -0.777 -5.763 52 2HM9 MFD 3 2HM9 MFD 3 -6.550 -0.932 -6.420 53 3HM9 MFD 3 3HM9 MFD 3 -6.901 -1.489 -4.758 54 1HM8 MFD 3 1HM8 MFD 3 -7.384 0.435 -0.370 55 2HM8 MFD 3 2HM8 MFD 3 -8.756 0.823 -1.409 56 3HM8 MFD 3 3HM8 MFD 3 -7.536 2.060 -1.052 57 1HM6 MFD 3 1HM6 MFD 3 -3.927 2.180 0.028 58 2HM6 MFD 3 2HM6 MFD 3 -5.289 1.048 0.231 59 3HM6 MFD 3 3HM6 MFD 3 -5.485 2.562 -0.699 Start of MODEL 22 1 HN 2AS 1 HN 2AS 1 2.453 0.114 2.542 2 HB 2AS 1 HB 2AS 1 -0.344 -2.248 2.847 3 HA 2AS 1 HA 2AS 1 0.566 -0.635 4.687 4 1HBB 2AS 1 1HBB 2AS 1 0.764 -3.167 4.799 5 2HBB 2AS 1 2HBB 2AS 1 2.377 -2.922 4.082 6 3HBB 2AS 1 3HBB 2AS 1 1.231 -4.070 3.332 7 H ARG 2 HN ARG 2 -0.377 -2.380 0.588 8 HA ARG 2 HA ARG 2 2.147 -1.951 -0.881 9 1HB ARG 2 2HB ARG 2 0.143 -4.231 -1.353 10 2HB ARG 2 1HB ARG 2 1.431 -3.752 -2.481 11 1HG ARG 2 1HG ARG 2 3.159 -4.295 -0.723 12 2HG ARG 2 2HG ARG 2 1.879 -4.837 0.370 13 1HD ARG 2 1HD ARG 2 1.197 -6.600 -1.277 14 2HD ARG 2 2HD ARG 2 2.469 -6.088 -2.383 15 HE ARG 2 HE ARG 2 2.814 -7.778 0.029 16 1HH1 ARG 2 2HH2 ARG 2 4.685 -5.580 -2.249 17 2HH1 ARG 2 1HH2 ARG 2 6.188 -6.310 -1.847 18 1HH2 ARG 2 2HH1 ARG 2 4.842 -8.752 0.561 19 2HH2 ARG 2 1HH1 ARG 2 6.280 -8.182 -0.189 20 H GLU 4 HN GLU 4 2.248 3.139 -0.369 21 HA GLU 4 HA GLU 4 4.245 2.041 -2.277 22 1HB GLU 4 2HB GLU 4 4.194 0.534 -0.417 23 2HB GLU 4 1HB GLU 4 5.691 1.453 -0.392 24 1HG GLU 4 2HG GLU 4 4.812 2.819 1.548 25 2HG GLU 4 1HG GLU 4 3.317 1.871 1.509 26 1HM MDH 5 1HM MDH 5 5.095 -0.147 5.432 27 2HM MDH 5 2HM MDH 5 6.475 -0.311 4.317 28 3HM MDH 5 3HM MDH 5 4.973 -1.248 4.032 29 HB MDH 5 HB MDH 5 3.225 3.605 4.817 30 1HG MDH 5 1HG MDH 5 6.126 3.195 3.815 31 2HG MDH 5 2HG MDH 5 5.606 4.216 5.170 32 3HG MDH 5 3HG MDH 5 5.100 4.610 3.507 33 1HN3 MFD 3 1HN3 MFD 3 0.760 0.177 -0.434 34 H2 MFD 3 H2 MFD 3 0.090 2.674 -0.781 35 H3 MFD 3 H3 MFD 3 -0.474 0.686 -3.028 36 1HM2 MFD 3 1HM2 MFD 3 -1.419 3.624 -2.495 37 2HM2 MFD 3 2HM2 MFD 3 0.196 4.366 -2.615 38 3HM2 MFD 3 3HM2 MFD 3 -0.309 3.132 -3.802 39 H7 MFD 3 H7 MFD 3 -5.164 -0.187 -3.218 40 H5 MFD 3 H5 MFD 3 -2.901 0.598 -3.269 41 H4 MFD 3 H4 MFD 3 -2.018 1.318 -0.429 42 1H' MFD 3 1H' MFD 3 -6.228 -2.753 -0.410 43 2H' MFD 3 2H' MFD 3 -5.537 -1.194 -0.179 44 H9 MFD 3 H9 MFD 3 -6.761 -1.859 -2.482 45 H8 MFD 3 H8 MFD 3 -7.110 0.731 -0.994 46 H4' MFD 3 H4' MFD 3 -9.538 -1.142 4.166 47 H3' MFD 3 H3' MFD 3 -8.323 0.820 3.227 48 H2' MFD 3 H2' MFD 3 -6.947 0.573 1.208 49 H6' MFD 3 H6' MFD 3 -7.954 -3.596 1.018 50 H5' MFD 3 H5' MFD 3 -9.335 -3.358 3.041 51 1HM9 MFD 3 1HM9 MFD 3 -8.531 -3.512 -1.306 52 2HM9 MFD 3 2HM9 MFD 3 -10.089 -2.796 -1.821 53 3HM9 MFD 3 3HM9 MFD 3 -8.758 -2.995 -3.008 54 1HM8 MFD 3 1HM8 MFD 3 -7.403 1.938 -3.214 55 2HM8 MFD 3 2HM8 MFD 3 -8.790 0.903 -2.825 56 3HM8 MFD 3 3HM8 MFD 3 -7.589 0.358 -4.018 57 1HM6 MFD 3 1HM6 MFD 3 -3.950 2.438 -0.064 58 2HM6 MFD 3 2HM6 MFD 3 -4.753 0.960 0.525 59 3HM6 MFD 3 3HM6 MFD 3 -5.678 2.201 -0.354 Start of MODEL 23 1 HN 2AS 1 HN 2AS 1 2.377 0.142 2.498 2 HB 2AS 1 HB 2AS 1 -0.308 -2.321 2.903 3 HA 2AS 1 HA 2AS 1 0.554 -0.623 4.696 4 1HBB 2AS 1 1HBB 2AS 1 0.821 -3.132 4.882 5 2HBB 2AS 1 2HBB 2AS 1 2.429 -2.832 4.176 6 3HBB 2AS 1 3HBB 2AS 1 1.350 -4.057 3.451 7 H ARG 2 HN ARG 2 -0.366 -2.306 0.633 8 HA ARG 2 HA ARG 2 2.170 -2.014 -0.844 9 1HB ARG 2 2HB ARG 2 0.062 -4.209 -1.279 10 2HB ARG 2 1HB ARG 2 1.384 -3.821 -2.403 11 1HG ARG 2 1HG ARG 2 3.065 -4.429 -0.623 12 2HG ARG 2 2HG ARG 2 1.749 -4.854 0.481 13 1HD ARG 2 1HD ARG 2 0.957 -6.618 -1.114 14 2HD ARG 2 2HD ARG 2 2.271 -6.235 -2.223 15 HE ARG 2 HE ARG 2 2.478 -7.854 0.252 16 1HH1 ARG 2 2HH2 ARG 2 4.516 -5.871 -2.079 17 2HH1 ARG 2 1HH2 ARG 2 5.965 -6.676 -1.623 18 1HH2 ARG 2 2HH1 ARG 2 4.434 -8.929 0.858 19 2HH2 ARG 2 1HH1 ARG 2 5.915 -8.480 0.111 20 H GLU 4 HN GLU 4 2.279 3.212 -0.380 21 HA GLU 4 HA GLU 4 4.246 2.094 -2.304 22 1HB GLU 4 2HB GLU 4 4.138 0.553 -0.473 23 2HB GLU 4 1HB GLU 4 5.664 1.418 -0.426 24 1HG GLU 4 2HG GLU 4 4.824 2.783 1.532 25 2HG GLU 4 1HG GLU 4 3.302 1.878 1.477 26 1HM MDH 5 1HM MDH 5 5.018 -0.231 5.374 27 2HM MDH 5 2HM MDH 5 6.393 -0.427 4.258 28 3HM MDH 5 3HM MDH 5 4.863 -1.312 3.961 29 HB MDH 5 HB MDH 5 3.255 3.582 4.791 30 1HG MDH 5 1HG MDH 5 6.143 3.108 3.778 31 2HG MDH 5 2HG MDH 5 5.649 4.136 5.138 32 3HG MDH 5 3HG MDH 5 5.149 4.549 3.477 33 1HN3 MFD 3 1HN3 MFD 3 0.884 0.182 -0.447 34 H2 MFD 3 H2 MFD 3 0.097 2.694 -0.758 35 H3 MFD 3 H3 MFD 3 -0.474 0.691 -2.985 36 1HM2 MFD 3 1HM2 MFD 3 -1.472 3.579 -2.449 37 2HM2 MFD 3 2HM2 MFD 3 0.110 4.384 -2.597 38 3HM2 MFD 3 3HM2 MFD 3 -0.364 3.128 -3.772 39 H7 MFD 3 H7 MFD 3 -4.351 -1.470 -1.953 40 H5 MFD 3 H5 MFD 3 -2.920 0.359 -3.033 41 H4 MFD 3 H4 MFD 3 -1.898 1.251 -0.296 42 1H' MFD 3 1H' MFD 3 -4.277 -1.350 2.011 43 2H' MFD 3 2H' MFD 3 -3.251 -1.485 0.603 44 H9 MFD 3 H9 MFD 3 -4.740 -3.261 -0.340 45 H8 MFD 3 H8 MFD 3 -6.201 -0.676 0.378 46 H4' MFD 3 H4' MFD 3 -1.043 -6.097 3.449 47 H3' MFD 3 H3' MFD 3 -0.983 -5.699 0.989 48 H2' MFD 3 H2' MFD 3 -2.306 -3.866 0.000 49 H6' MFD 3 H6' MFD 3 -3.764 -2.798 3.891 50 H5' MFD 3 H5' MFD 3 -2.447 -4.629 4.893 51 1HM9 MFD 3 1HM9 MFD 3 -7.435 -1.997 1.883 52 2HM9 MFD 3 2HM9 MFD 3 -7.395 -3.617 2.633 53 3HM9 MFD 3 3HM9 MFD 3 -6.109 -2.436 3.005 54 1HM8 MFD 3 1HM8 MFD 3 -7.462 -0.899 -1.759 55 2HM8 MFD 3 2HM8 MFD 3 -7.870 -2.212 -0.641 56 3HM8 MFD 3 3HM8 MFD 3 -6.784 -2.526 -2.013 57 1HM6 MFD 3 1HM6 MFD 3 -4.116 2.440 -0.205 58 2HM6 MFD 3 2HM6 MFD 3 -4.588 1.114 0.880 59 3HM6 MFD 3 3HM6 MFD 3 -5.755 1.758 -0.302 Start of MODEL 24 1 HN 2AS 1 HN 2AS 1 2.318 0.088 2.501 2 HB 2AS 1 HB 2AS 1 -0.213 -2.488 2.817 3 HA 2AS 1 HA 2AS 1 0.619 -0.808 4.720 4 1HBB 2AS 1 1HBB 2AS 1 0.930 -3.330 4.780 5 2HBB 2AS 1 2HBB 2AS 1 2.529 -2.920 4.111 6 3HBB 2AS 1 3HBB 2AS 1 1.520 -4.161 3.316 7 H ARG 2 HN ARG 2 -0.205 -2.433 0.535 8 HA ARG 2 HA ARG 2 2.254 -1.582 -0.826 9 1HB ARG 2 2HB ARG 2 0.601 -4.078 -1.510 10 2HB ARG 2 1HB ARG 2 1.708 -3.292 -2.651 11 1HG ARG 2 1HG ARG 2 2.509 -4.650 -0.005 12 2HG ARG 2 2HG ARG 2 2.726 -5.309 -1.624 13 1HD ARG 2 1HD ARG 2 4.165 -2.863 -0.448 14 2HD ARG 2 2HD ARG 2 4.863 -4.444 -0.791 15 HE ARG 2 HE ARG 2 4.029 -3.578 -3.328 16 1HH1 ARG 2 2HH2 ARG 2 6.159 -1.986 -0.789 17 2HH1 ARG 2 1HH2 ARG 2 7.008 -1.062 -1.964 18 1HH2 ARG 2 2HH1 ARG 2 5.180 -2.329 -4.900 19 2HH2 ARG 2 1HH1 ARG 2 6.430 -1.265 -4.390 20 H GLU 4 HN GLU 4 2.408 3.073 -0.445 21 HA GLU 4 HA GLU 4 4.133 1.556 -2.334 22 1HB GLU 4 2HB GLU 4 4.041 0.364 -0.265 23 2HB GLU 4 1HB GLU 4 5.633 1.077 -0.461 24 1HG GLU 4 2HG GLU 4 5.069 2.796 1.321 25 2HG GLU 4 1HG GLU 4 3.451 2.082 1.461 26 1HM MDH 5 1HM MDH 5 4.794 -0.056 5.445 27 2HM MDH 5 2HM MDH 5 6.293 -0.174 4.491 28 3HM MDH 5 3HM MDH 5 4.864 -1.162 4.046 29 HB MDH 5 HB MDH 5 2.900 3.679 4.526 30 1HG MDH 5 1HG MDH 5 5.856 3.370 3.660 31 2HG MDH 5 2HG MDH 5 5.207 4.486 4.877 32 3HG MDH 5 3HG MDH 5 4.758 4.674 3.161 33 1HN3 MFD 3 1HN3 MFD 3 0.679 0.297 -0.248 34 H2 MFD 3 H2 MFD 3 0.213 2.818 -0.704 35 H3 MFD 3 H3 MFD 3 -0.651 0.788 -2.814 36 1HM2 MFD 3 1HM2 MFD 3 -1.379 3.796 -2.321 37 2HM2 MFD 3 2HM2 MFD 3 0.260 4.426 -2.614 38 3HM2 MFD 3 3HM2 MFD 3 -0.425 3.182 -3.697 39 H7 MFD 3 H7 MFD 3 -5.230 2.001 -3.103 40 H5 MFD 3 H5 MFD 3 -3.074 0.925 -2.922 41 H4 MFD 3 H4 MFD 3 -1.970 1.597 -0.146 42 1H' MFD 3 1H' MFD 3 -5.074 4.288 -2.164 43 2H' MFD 3 2H' MFD 3 -6.193 4.547 -0.857 44 H9 MFD 3 H9 MFD 3 -8.025 3.913 -2.691 45 H8 MFD 3 H8 MFD 3 -7.441 1.459 -2.389 46 H4' MFD 3 H4' MFD 3 -6.977 9.702 -3.634 47 H3' MFD 3 H3' MFD 3 -8.547 8.616 -2.032 48 H2' MFD 3 H2' MFD 3 -8.137 6.302 -1.272 49 H6' MFD 3 H6' MFD 3 -4.597 6.122 -3.689 50 H5' MFD 3 H5' MFD 3 -4.995 8.434 -4.456 51 1HM9 MFD 3 1HM9 MFD 3 -8.486 3.527 -4.962 52 2HM9 MFD 3 2HM9 MFD 3 -7.079 3.053 -5.958 53 3HM9 MFD 3 3HM9 MFD 3 -7.711 1.927 -4.722 54 1HM8 MFD 3 1HM8 MFD 3 -7.573 1.263 -0.057 55 2HM8 MFD 3 2HM8 MFD 3 -8.587 2.608 -0.574 56 3HM8 MFD 3 3HM8 MFD 3 -7.051 2.923 0.252 57 1HM6 MFD 3 1HM6 MFD 3 -3.818 1.108 0.859 58 2HM6 MFD 3 2HM6 MFD 3 -5.537 0.812 0.554 59 3HM6 MFD 3 3HM6 MFD 3 -4.914 2.484 0.629 Start of MODEL 25 1 HN 2AS 1 HN 2AS 1 2.475 0.105 2.555 2 HB 2AS 1 HB 2AS 1 -0.352 -2.228 2.838 3 HA 2AS 1 HA 2AS 1 0.570 -0.639 4.687 4 1HBB 2AS 1 1HBB 2AS 1 0.753 -3.176 4.780 5 2HBB 2AS 1 2HBB 2AS 1 2.365 -2.944 4.059 6 3HBB 2AS 1 3HBB 2AS 1 1.203 -4.072 3.305 7 H ARG 2 HN ARG 2 -0.387 -2.387 0.583 8 HA ARG 2 HA ARG 2 2.135 -1.955 -0.892 9 1HB ARG 2 2HB ARG 2 0.131 -4.237 -1.360 10 2HB ARG 2 1HB ARG 2 1.414 -3.750 -2.491 11 1HG ARG 2 1HG ARG 2 3.151 -4.300 -0.724 12 2HG ARG 2 2HG ARG 2 1.867 -4.826 0.363 13 1HD ARG 2 1HD ARG 2 2.856 -6.813 -0.672 14 2HD ARG 2 2HD ARG 2 1.203 -6.630 -1.248 15 HE ARG 2 HE ARG 2 2.028 -6.370 -3.475 16 1HH1 ARG 2 2HH2 ARG 2 4.910 -5.955 -1.231 17 2HH1 ARG 2 1HH2 ARG 2 6.028 -5.955 -2.537 18 1HH2 ARG 2 2HH1 ARG 2 3.541 -6.368 -5.223 19 2HH2 ARG 2 1HH1 ARG 2 5.220 -6.199 -4.893 20 H GLU 4 HN GLU 4 2.236 3.119 -0.362 21 HA GLU 4 HA GLU 4 4.245 2.037 -2.268 22 1HB GLU 4 2HB GLU 4 4.208 0.535 -0.406 23 2HB GLU 4 1HB GLU 4 5.696 1.467 -0.383 24 1HG GLU 4 2HG GLU 4 4.805 2.829 1.555 25 2HG GLU 4 1HG GLU 4 3.319 1.868 1.518 26 1HM MDH 5 1HM MDH 5 5.115 -0.131 5.443 27 2HM MDH 5 2HM MDH 5 6.497 -0.284 4.330 28 3HM MDH 5 3HM MDH 5 5.003 -1.233 4.044 29 HB MDH 5 HB MDH 5 3.219 3.610 4.821 30 1HG MDH 5 1HG MDH 5 6.123 3.216 3.822 31 2HG MDH 5 2HG MDH 5 5.594 4.239 5.173 32 3HG MDH 5 3HG MDH 5 5.086 4.623 3.507 33 1HN3 MFD 3 1HN3 MFD 3 0.739 0.173 -0.441 34 H2 MFD 3 H2 MFD 3 0.087 2.663 -0.788 35 H3 MFD 3 H3 MFD 3 -0.461 0.684 -3.048 36 1HM2 MFD 3 1HM2 MFD 3 -1.411 3.630 -2.503 37 2HM2 MFD 3 2HM2 MFD 3 0.208 4.364 -2.614 38 3HM2 MFD 3 3HM2 MFD 3 -0.299 3.138 -3.808 39 H7 MFD 3 H7 MFD 3 -5.149 0.233 -3.578 40 H5 MFD 3 H5 MFD 3 -2.865 0.632 -3.344 41 H4 MFD 3 H4 MFD 3 -2.045 1.318 -0.477 42 1H' MFD 3 1H' MFD 3 -7.965 2.918 -2.980 43 2H' MFD 3 2H' MFD 3 -6.281 2.911 -3.455 44 H9 MFD 3 H9 MFD 3 -8.436 0.806 -4.020 45 H8 MFD 3 H8 MFD 3 -7.159 -0.576 -2.457 46 H4' MFD 3 H4' MFD 3 -8.700 5.194 -8.360 47 H3' MFD 3 H3' MFD 3 -10.452 4.272 -6.846 48 H2' MFD 3 H2' MFD 3 -9.805 3.104 -4.769 49 H6' MFD 3 H6' MFD 3 -5.663 3.755 -5.678 50 H5' MFD 3 H5' MFD 3 -6.296 4.926 -7.758 51 1HM9 MFD 3 1HM9 MFD 3 -8.201 -0.687 -5.809 52 2HM9 MFD 3 2HM9 MFD 3 -6.542 -0.846 -6.459 53 3HM9 MFD 3 3HM9 MFD 3 -6.908 -1.425 -4.808 54 1HM8 MFD 3 1HM8 MFD 3 -7.398 0.441 -0.392 55 2HM8 MFD 3 2HM8 MFD 3 -8.761 0.853 -1.433 56 3HM8 MFD 3 3HM8 MFD 3 -7.534 2.077 -1.052 57 1HM6 MFD 3 1HM6 MFD 3 -3.930 2.159 0.045 58 2HM6 MFD 3 2HM6 MFD 3 -5.302 1.035 0.225 59 3HM6 MFD 3 3HM6 MFD 3 -5.481 2.562 -0.686 Start of MODEL 26 1 HN 2AS 1 HN 2AS 1 2.489 0.096 2.560 2 HB 2AS 1 HB 2AS 1 -0.365 -2.209 2.835 3 HA 2AS 1 HA 2AS 1 0.567 -0.630 4.684 4 1HBB 2AS 1 1HBB 2AS 1 0.730 -3.169 4.777 5 2HBB 2AS 1 2HBB 2AS 1 2.344 -2.957 4.054 6 3HBB 2AS 1 3HBB 2AS 1 1.167 -4.070 3.300 7 H ARG 2 HN ARG 2 -0.400 -2.377 0.584 8 HA ARG 2 HA ARG 2 2.126 -1.979 -0.896 9 1HB ARG 2 2HB ARG 2 0.092 -4.233 -1.353 10 2HB ARG 2 1HB ARG 2 1.388 -3.780 -2.484 11 1HG ARG 2 1HG ARG 2 3.110 -4.323 -0.729 12 2HG ARG 2 2HG ARG 2 1.840 -4.852 0.375 13 1HD ARG 2 1HD ARG 2 2.487 -6.150 -2.346 14 2HD ARG 2 2HD ARG 2 2.978 -6.755 -0.770 15 HE ARG 2 HE ARG 2 0.699 -7.480 -0.300 16 1HH1 ARG 2 2HH2 ARG 2 0.867 -6.044 -3.683 17 2HH1 ARG 2 1HH2 ARG 2 -0.630 -6.753 -4.141 18 1HH2 ARG 2 2HH1 ARG 2 -1.309 -8.423 -0.930 19 2HH2 ARG 2 1HH1 ARG 2 -1.913 -8.156 -2.517 20 H GLU 4 HN GLU 4 2.228 3.111 -0.354 21 HA GLU 4 HA GLU 4 4.246 2.051 -2.262 22 1HB GLU 4 2HB GLU 4 4.217 0.543 -0.405 23 2HB GLU 4 1HB GLU 4 5.699 1.484 -0.378 24 1HG GLU 4 2HG GLU 4 4.799 2.834 1.563 25 2HG GLU 4 1HG GLU 4 3.319 1.865 1.523 26 1HM MDH 5 1HM MDH 5 5.135 -0.125 5.446 27 2HM MDH 5 2HM MDH 5 6.513 -0.274 4.326 28 3HM MDH 5 3HM MDH 5 5.021 -1.230 4.048 29 HB MDH 5 HB MDH 5 3.228 3.607 4.835 30 1HG MDH 5 1HG MDH 5 6.132 3.217 3.833 31 2HG MDH 5 2HG MDH 5 5.604 4.234 5.188 32 3HG MDH 5 3HG MDH 5 5.094 4.626 3.525 33 1HN3 MFD 3 1HN3 MFD 3 0.748 0.166 -0.455 34 H2 MFD 3 H2 MFD 3 0.081 2.653 -0.789 35 H3 MFD 3 H3 MFD 3 -0.454 0.681 -3.059 36 1HM2 MFD 3 1HM2 MFD 3 -1.417 3.621 -2.503 37 2HM2 MFD 3 2HM2 MFD 3 0.199 4.363 -2.607 38 3HM2 MFD 3 3HM2 MFD 3 -0.300 3.140 -3.808 39 H7 MFD 3 H7 MFD 3 -5.208 0.653 -3.630 40 H5 MFD 3 H5 MFD 3 -2.870 0.640 -3.361 41 H4 MFD 3 H4 MFD 3 -2.046 1.296 -0.486 42 1H' MFD 3 1H' MFD 3 -6.474 2.146 -5.121 43 2H' MFD 3 2H' MFD 3 -5.521 2.934 -3.829 44 H9 MFD 3 H9 MFD 3 -7.318 2.869 -2.312 45 H8 MFD 3 H8 MFD 3 -7.288 -0.137 -2.856 46 H4' MFD 3 H4' MFD 3 -8.474 7.660 -5.635 47 H3' MFD 3 H3' MFD 3 -8.876 5.682 -7.097 48 H2' MFD 3 H2' MFD 3 -8.002 3.468 -6.453 49 H6' MFD 3 H6' MFD 3 -6.312 5.158 -2.890 50 H5' MFD 3 H5' MFD 3 -7.180 7.379 -3.523 51 1HM9 MFD 3 1HM9 MFD 3 -9.185 0.182 -4.068 52 2HM9 MFD 3 2HM9 MFD 3 -10.366 1.451 -4.497 53 3HM9 MFD 3 3HM9 MFD 3 -8.787 1.392 -5.327 54 1HM8 MFD 3 1HM8 MFD 3 -7.091 -0.386 -0.550 55 2HM8 MFD 3 2HM8 MFD 3 -8.608 0.312 -1.092 56 3HM8 MFD 3 3HM8 MFD 3 -7.426 1.332 -0.258 57 1HM6 MFD 3 1HM6 MFD 3 -3.932 2.365 -0.120 58 2HM6 MFD 3 2HM6 MFD 3 -5.121 1.069 0.284 59 3HM6 MFD 3 3HM6 MFD 3 -5.581 2.478 -0.722 Start of MODEL 27 1 HN 2AS 1 HN 2AS 1 2.408 0.145 2.500 2 HB 2AS 1 HB 2AS 1 -0.310 -2.307 2.863 3 HA 2AS 1 HA 2AS 1 0.551 -0.628 4.664 4 1HBB 2AS 1 1HBB 2AS 1 0.842 -3.106 4.848 5 2HBB 2AS 1 2HBB 2AS 1 2.440 -2.841 4.107 6 3HBB 2AS 1 3HBB 2AS 1 1.326 -4.058 3.423 7 H ARG 2 HN ARG 2 -0.353 -2.424 0.588 8 HA ARG 2 HA ARG 2 2.156 -1.943 -0.882 9 1HB ARG 2 2HB ARG 2 0.159 -4.214 -1.432 10 2HB ARG 2 1HB ARG 2 1.419 -3.654 -2.549 11 1HG ARG 2 1HG ARG 2 2.431 -5.542 -1.654 12 2HG ARG 2 2HG ARG 2 3.163 -4.238 -0.734 13 1HD ARG 2 1HD ARG 2 2.703 -6.096 0.742 14 2HD ARG 2 2HD ARG 2 1.618 -4.807 1.224 15 HE ARG 2 HE ARG 2 0.815 -7.344 -0.246 16 1HH1 ARG 2 2HH2 ARG 2 -0.358 -4.456 1.708 17 2HH1 ARG 2 1HH2 ARG 2 -1.941 -5.108 1.856 18 1HH2 ARG 2 2HH1 ARG 2 -1.308 -8.201 -0.034 19 2HH2 ARG 2 1HH1 ARG 2 -2.500 -7.315 0.831 20 H GLU 4 HN GLU 4 2.287 3.189 -0.394 21 HA GLU 4 HA GLU 4 4.259 2.036 -2.294 22 1HB GLU 4 2HB GLU 4 4.189 0.531 -0.430 23 2HB GLU 4 1HB GLU 4 5.698 1.429 -0.404 24 1HG GLU 4 2HG GLU 4 4.837 2.813 1.530 25 2HG GLU 4 1HG GLU 4 3.326 1.890 1.490 26 1HM MDH 5 1HM MDH 5 5.025 -0.165 5.417 27 2HM MDH 5 2HM MDH 5 6.422 -0.337 4.325 28 3HM MDH 5 3HM MDH 5 4.916 -1.258 4.011 29 HB MDH 5 HB MDH 5 3.194 3.612 4.770 30 1HG MDH 5 1HG MDH 5 6.104 3.186 3.802 31 2HG MDH 5 2HG MDH 5 5.569 4.224 5.139 32 3HG MDH 5 3HG MDH 5 5.084 4.600 3.465 33 1HN3 MFD 3 1HN3 MFD 3 0.759 0.172 -0.380 34 H2 MFD 3 H2 MFD 3 0.132 2.693 -0.741 35 H3 MFD 3 H3 MFD 3 -0.495 0.700 -2.966 36 1HM2 MFD 3 1HM2 MFD 3 -1.392 3.648 -2.444 37 2HM2 MFD 3 2HM2 MFD 3 0.229 4.370 -2.591 38 3HM2 MFD 3 3HM2 MFD 3 -0.305 3.132 -3.760 39 H7 MFD 3 H7 MFD 3 -5.226 0.252 -3.324 40 H5 MFD 3 H5 MFD 3 -2.910 0.641 -3.176 41 H4 MFD 3 H4 MFD 3 -1.990 1.379 -0.353 42 1H' MFD 3 1H' MFD 3 -5.964 2.583 -3.734 43 2H' MFD 3 2H' MFD 3 -7.175 3.100 -2.596 44 H9 MFD 3 H9 MFD 3 -8.542 1.018 -3.557 45 H8 MFD 3 H8 MFD 3 -7.126 -0.537 -2.132 46 H4' MFD 3 H4' MFD 3 -9.616 5.382 -7.465 47 H3' MFD 3 H3' MFD 3 -7.284 4.581 -7.828 48 H2' MFD 3 H2' MFD 3 -6.118 3.319 -6.055 49 H6' MFD 3 H6' MFD 3 -9.576 3.636 -3.537 50 H5' MFD 3 H5' MFD 3 -10.755 4.899 -5.301 51 1HM9 MFD 3 1HM9 MFD 3 -8.691 -0.649 -5.204 52 2HM9 MFD 3 2HM9 MFD 3 -7.153 -1.062 -6.017 53 3HM9 MFD 3 3HM9 MFD 3 -7.396 -1.502 -4.301 54 1HM8 MFD 3 1HM8 MFD 3 -7.282 0.524 -0.025 55 2HM8 MFD 3 2HM8 MFD 3 -8.718 0.856 -0.991 56 3HM8 MFD 3 3HM8 MFD 3 -7.520 2.132 -0.721 57 1HM6 MFD 3 1HM6 MFD 3 -3.854 2.269 0.205 58 2HM6 MFD 3 2HM6 MFD 3 -5.183 1.117 0.489 59 3HM6 MFD 3 3HM6 MFD 3 -5.450 2.610 -0.452
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