NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15405 | 1y5c | 6462 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 1HT ARG 1 -7.437 0.047 6.584 2 2H ARG 1 2HT ARG 1 -7.964 1.652 6.648 3 3H ARG 1 3HT ARG 1 -6.543 1.197 7.444 4 HA ARG 1 HA ARG 1 -5.670 2.160 5.589 5 1HB ARG 1 2HB ARG 1 -6.203 -0.713 4.806 6 2HB ARG 1 1HB ARG 1 -4.978 0.320 4.084 7 1HG ARG 1 2HG ARG 1 -3.842 0.487 6.235 8 2HG ARG 1 1HG ARG 1 -5.072 -0.546 6.966 9 1HD ARG 1 2HD ARG 1 -3.217 -1.324 4.718 10 2HD ARG 1 1HD ARG 1 -3.048 -1.805 6.405 11 HE ARG 1 HE ARG 1 -5.588 -2.573 5.517 12 1HH1 ARG 1 1HH1 ARG 1 -2.237 -3.350 4.965 13 2HH1 ARG 1 2HH1 ARG 1 -2.556 -4.996 4.531 14 1HH2 ARG 1 1HH2 ARG 1 -6.019 -4.738 4.949 15 2HH2 ARG 1 2HH2 ARG 1 -4.707 -5.785 4.523 16 H ARG 2 H ARG 2 -5.976 3.187 3.684 17 HA ARG 2 HA ARG 2 -8.569 3.548 2.684 18 1HB ARG 2 2HB ARG 2 -7.458 4.774 0.834 19 2HB ARG 2 1HB ARG 2 -6.892 5.265 2.424 20 1HG ARG 2 2HG ARG 2 -4.901 3.864 2.137 21 2HG ARG 2 1HG ARG 2 -5.464 3.412 0.527 22 1HD ARG 2 2HD ARG 2 -4.845 6.221 1.440 23 2HD ARG 2 1HD ARG 2 -3.781 5.208 0.465 24 HE ARG 2 HE ARG 2 -6.238 5.368 -0.842 25 1HH1 ARG 2 1HH1 ARG 2 -3.601 7.465 0.055 26 2HH1 ARG 2 2HH1 ARG 2 -3.833 8.539 -1.283 27 1HH2 ARG 2 1HH2 ARG 2 -6.549 6.780 -2.603 28 2HH2 ARG 2 2HH2 ARG 2 -5.507 8.150 -2.795 29 H TRP 3 H TRP 3 -6.330 1.066 2.133 30 HA TRP 3 HA TRP 3 -8.085 -0.245 0.292 31 1HB TRP 3 2HB TRP 3 -6.321 -0.523 -1.492 32 2HB TRP 3 1HB TRP 3 -7.003 1.090 -1.365 33 HD1 TRP 3 HD TRP 3 -4.536 0.638 1.349 34 HE1 TRP 3 1HE TRP 3 -2.322 1.788 0.725 35 HE3 TRP 3 3HE TRP 3 -5.407 1.428 -3.624 36 HZ2 TRP 3 2HZ TRP 3 -1.115 2.871 -1.568 37 HZ3 TRP 3 3HZ TRP 3 -3.658 2.519 -4.964 38 HH2 TRP 3 HH TRP 3 -1.554 3.231 -3.955 39 H GLN 4 H GLN 4 -5.265 -1.518 -0.592 40 HA GLN 4 HA GLN 4 -4.592 -2.994 1.799 41 1HB GLN 4 2HB GLN 4 -5.072 -5.200 0.748 42 2HB GLN 4 1HB GLN 4 -6.521 -4.260 1.085 43 1HG GLN 4 2HG GLN 4 -6.605 -3.565 -1.260 44 2HG GLN 4 1HG GLN 4 -5.174 -4.537 -1.590 45 1HE2 GLN 4 1HE2 GLN 4 -5.644 -6.363 -2.557 46 2HE2 GLN 4 2HE2 GLN 4 -7.046 -7.335 -2.288 47 H TRP 5 H TRP 5 -2.968 -1.340 0.517 48 HA TRP 5 HA TRP 5 -1.482 -2.290 -1.650 49 1HB TRP 5 2HB TRP 5 0.251 -0.705 -0.901 50 2HB TRP 5 1HB TRP 5 -1.353 0.019 -0.858 51 HD1 TRP 5 HD TRP 5 -2.526 -0.338 1.806 52 HE1 TRP 5 1HE TRP 5 -1.382 0.321 4.016 53 HE3 TRP 5 3HE TRP 5 2.339 -0.295 0.226 54 HZ2 TRP 5 2HZ TRP 5 1.232 0.799 4.963 55 HZ3 TRP 5 3HZ TRP 5 4.100 0.276 1.847 56 HH2 TRP 5 HH TRP 5 3.555 0.812 4.166 57 H ARG 6 H ARG 6 1.189 -2.187 -0.706 58 HA ARG 6 HA ARG 6 1.543 -4.326 1.215 59 1HB ARG 6 2HB ARG 6 2.370 -4.644 -1.677 60 2HB ARG 6 1HB ARG 6 2.936 -5.674 -0.371 61 1HG ARG 6 2HG ARG 6 0.636 -6.396 0.052 62 2HG ARG 6 1HG ARG 6 0.078 -5.368 -1.268 63 1HD ARG 6 2HD ARG 6 1.434 -6.645 -2.845 64 2HD ARG 6 1HD ARG 6 2.024 -7.658 -1.527 65 HE ARG 6 HE ARG 6 -0.770 -7.770 -1.540 66 1HH1 ARG 6 1HH1 ARG 6 1.926 -8.746 -3.522 67 2HH1 ARG 6 2HH1 ARG 6 1.099 -10.108 -4.201 68 1HH2 ARG 6 1HH2 ARG 6 -1.864 -9.563 -2.428 69 2HH2 ARG 6 2HH2 ARG 6 -1.054 -10.572 -3.581 70 H MET 7 H MET 7 3.156 -2.365 -1.286 71 HA MET 7 HA MET 7 4.855 -1.081 0.561 72 1HB MET 7 2HB MET 7 7.009 -2.020 -0.015 73 2HB MET 7 1HB MET 7 5.965 -3.289 0.605 74 1HG MET 7 2HG MET 7 6.477 -2.782 -2.316 75 2HG MET 7 1HG MET 7 7.349 -3.957 -1.337 76 1HE MET 7 1HE MET 7 6.512 -4.841 -3.726 77 2HE MET 7 2HE MET 7 5.014 -5.753 -3.913 78 3HE MET 7 3HE MET 7 6.319 -6.396 -2.916 79 H LYS 8 H LYS 8 3.135 -0.395 -1.591 80 HA LYS 8 HA LYS 8 4.771 0.398 -3.832 81 1HB LYS 8 2HB LYS 8 2.396 -0.228 -4.121 82 2HB LYS 8 1HB LYS 8 1.923 1.143 -3.128 83 1HG LYS 8 2HG LYS 8 2.893 2.667 -4.784 84 2HG LYS 8 1HG LYS 8 3.331 1.281 -5.787 85 1HD LYS 8 2HD LYS 8 0.947 0.665 -5.925 86 2HD LYS 8 1HD LYS 8 0.540 2.101 -4.984 87 1HE LYS 8 2HE LYS 8 0.201 2.528 -7.345 88 2HE LYS 8 1HE LYS 8 1.532 3.510 -6.735 89 1HZ LYS 8 1HZ LYS 8 2.054 2.512 -8.880 90 2HZ LYS 8 2HZ LYS 8 1.820 0.964 -8.241 91 3HZ LYS 8 3HZ LYS 8 3.091 1.927 -7.677 92 H LYS 9 H LYS 9 3.295 1.875 -1.010 93 HA LYS 9 HA LYS 9 3.865 4.565 -1.602 94 1HB LYS 9 2HB LYS 9 3.647 3.245 1.108 95 2HB LYS 9 1HB LYS 9 3.525 4.969 0.792 96 1HG LYS 9 2HG LYS 9 1.491 4.634 -0.466 97 2HG LYS 9 1HG LYS 9 1.635 2.884 -0.280 98 1HD LYS 9 2HD LYS 9 1.449 3.153 2.161 99 2HD LYS 9 1HD LYS 9 1.249 4.892 1.940 100 1HE LYS 9 2HE LYS 9 -0.789 4.515 0.667 101 2HE LYS 9 1HE LYS 9 -0.576 2.770 0.814 102 1HZ LYS 9 1HZ LYS 9 -0.505 3.955 3.373 103 2HZ LYS 9 2HZ LYS 9 -1.596 2.815 2.766 104 3HZ LYS 9 3HZ LYS 9 -1.901 4.467 2.565 105 H LEU 10 H LEU 10 5.672 2.138 0.231 106 HA LEU 10 HA LEU 10 7.799 3.795 1.022 107 1HB LEU 10 2HB LEU 10 7.355 1.618 2.039 108 2HB LEU 10 1HB LEU 10 7.760 0.816 0.533 109 HG LEU 10 HG LEU 10 10.083 1.631 0.739 110 1HD1 LEU 10 1HD1 LEU 10 10.618 2.400 3.186 111 2HD1 LEU 10 2HD1 LEU 10 8.944 2.955 3.152 112 3HD1 LEU 10 3HD1 LEU 10 10.100 3.566 1.969 113 1HD2 LEU 10 1HD2 LEU 10 8.781 -0.148 2.709 114 2HD2 LEU 10 2HD2 LEU 10 10.441 0.339 3.050 115 3HD2 LEU 10 3HD2 LEU 10 10.057 -0.487 1.540 116 H GLY 11 H GLY 11 9.671 4.404 0.065 117 1HA GLY 11 2HA GLY 11 10.866 3.148 -2.154 118 2HA GLY 11 1HA GLY 11 9.864 4.470 -2.731 Start of MODEL 2 1 1H ARG 1 1HT ARG 1 -8.322 0.596 6.317 2 2H ARG 1 2HT ARG 1 -6.847 0.109 6.986 3 3H ARG 1 3HT ARG 1 -7.688 -0.930 5.949 4 HA ARG 1 HA ARG 1 -6.145 1.488 5.317 5 1HB ARG 1 2HB ARG 1 -6.334 -1.324 4.229 6 2HB ARG 1 1HB ARG 1 -5.412 -0.056 3.437 7 1HG ARG 1 2HG ARG 1 -3.890 -1.343 4.711 8 2HG ARG 1 1HG ARG 1 -4.098 0.194 5.551 9 1HD ARG 1 2HD ARG 1 -5.746 -0.911 7.044 10 2HD ARG 1 1HD ARG 1 -5.380 -2.444 6.253 11 HE ARG 1 HE ARG 1 -3.551 -2.594 7.593 12 1HH1 ARG 1 1HH1 ARG 1 -4.375 0.781 7.273 13 2HH1 ARG 1 2HH1 ARG 1 -3.116 1.320 8.333 14 1HH2 ARG 1 1HH2 ARG 1 -1.890 -1.889 8.983 15 2HH2 ARG 1 2HH2 ARG 1 -1.703 -0.197 9.302 16 H ARG 2 H ARG 2 -6.568 2.729 3.549 17 HA ARG 2 HA ARG 2 -9.189 3.058 2.663 18 1HB ARG 2 2HB ARG 2 -8.262 4.544 0.965 19 2HB ARG 2 1HB ARG 2 -7.463 4.802 2.510 20 1HG ARG 2 2HG ARG 2 -5.571 3.442 1.751 21 2HG ARG 2 1HG ARG 2 -6.369 3.223 0.192 22 1HD ARG 2 2HD ARG 2 -6.313 5.632 -0.182 23 2HD ARG 2 1HD ARG 2 -5.542 5.866 1.386 24 HE ARG 2 HE ARG 2 -3.991 4.086 -0.129 25 1HH1 ARG 2 1HH1 ARG 2 -4.927 7.442 -0.075 26 2HH1 ARG 2 2HH1 ARG 2 -3.481 7.992 -0.851 27 1HH2 ARG 2 1HH2 ARG 2 -2.081 4.803 -1.151 28 2HH2 ARG 2 2HH2 ARG 2 -1.863 6.492 -1.462 29 H TRP 3 H TRP 3 -6.892 0.735 1.793 30 HA TRP 3 HA TRP 3 -8.671 -0.451 -0.126 31 1HB TRP 3 2HB TRP 3 -6.914 -0.595 -1.918 32 2HB TRP 3 1HB TRP 3 -7.552 1.019 -1.657 33 HD1 TRP 3 HD TRP 3 -5.118 0.336 1.026 34 HE1 TRP 3 1HE TRP 3 -2.860 1.438 0.478 35 HE3 TRP 3 3HE TRP 3 -5.916 1.415 -3.907 36 HZ2 TRP 3 2HZ TRP 3 -1.597 2.597 -1.743 37 HZ3 TRP 3 3HZ TRP 3 -4.116 2.514 -5.176 38 HH2 TRP 3 HH TRP 3 -1.997 3.095 -4.113 39 H GLN 4 H GLN 4 -5.812 -1.653 -1.046 40 HA GLN 4 HA GLN 4 -5.196 -3.285 1.250 41 1HB GLN 4 2HB GLN 4 -5.645 -5.423 0.055 42 2HB GLN 4 1HB GLN 4 -7.101 -4.509 0.424 43 1HG GLN 4 2HG GLN 4 -7.135 -3.666 -1.879 44 2HG GLN 4 1HG GLN 4 -5.708 -4.634 -2.239 45 1HE2 GLN 4 1HE2 GLN 4 -7.507 -6.351 -0.075 46 2HE2 GLN 4 2HE2 GLN 4 -8.416 -7.329 -1.170 47 H TRP 5 H TRP 5 -3.500 -1.603 0.236 48 HA TRP 5 HA TRP 5 -1.960 -2.362 -1.981 49 1HB TRP 5 2HB TRP 5 -0.243 -0.855 -1.035 50 2HB TRP 5 1HB TRP 5 -1.845 -0.128 -1.025 51 HD1 TRP 5 HD TRP 5 -3.148 -0.715 1.555 52 HE1 TRP 5 1HE TRP 5 -2.117 -0.197 3.859 53 HE3 TRP 5 3HE TRP 5 1.774 -0.450 0.207 54 HZ2 TRP 5 2HZ TRP 5 0.444 0.262 4.955 55 HZ3 TRP 5 3HZ TRP 5 3.451 0.034 1.938 56 HH2 TRP 5 HH TRP 5 2.797 0.384 4.264 57 H ARG 6 H ARG 6 0.648 -2.178 -0.394 58 HA ARG 6 HA ARG 6 0.900 -4.511 1.176 59 1HB ARG 6 2HB ARG 6 2.267 -5.848 -0.443 60 2HB ARG 6 1HB ARG 6 0.557 -5.752 -0.841 61 1HG ARG 6 2HG ARG 6 1.064 -3.991 -2.484 62 2HG ARG 6 1HG ARG 6 2.779 -4.167 -2.112 63 1HD ARG 6 2HD ARG 6 2.681 -6.511 -2.824 64 2HD ARG 6 1HD ARG 6 0.973 -6.317 -3.214 65 HE ARG 6 HE ARG 6 2.437 -4.377 -4.605 66 1HH1 ARG 6 1HH1 ARG 6 1.953 -7.828 -4.555 67 2HH1 ARG 6 2HH1 ARG 6 2.313 -8.031 -6.236 68 1HH2 ARG 6 1HH2 ARG 6 2.913 -4.638 -6.819 69 2HH2 ARG 6 2HH2 ARG 6 2.858 -6.219 -7.524 70 H MET 7 H MET 7 2.667 -2.535 -1.199 71 HA MET 7 HA MET 7 4.384 -1.396 0.720 72 1HB MET 7 2HB MET 7 6.506 -2.489 0.084 73 2HB MET 7 1HB MET 7 5.383 -3.609 0.842 74 1HG MET 7 2HG MET 7 4.762 -4.470 -1.365 75 2HG MET 7 1HG MET 7 5.912 -3.361 -2.111 76 1HE MET 7 1HE MET 7 9.311 -4.708 -0.618 77 2HE MET 7 2HE MET 7 8.273 -3.412 -0.024 78 3HE MET 7 3HE MET 7 8.602 -3.559 -1.752 79 H LYS 8 H LYS 8 2.813 -0.528 -1.460 80 HA LYS 8 HA LYS 8 4.541 0.114 -3.671 81 1HB LYS 8 2HB LYS 8 2.118 -0.236 -3.984 82 2HB LYS 8 1HB LYS 8 1.791 1.160 -2.967 83 1HG LYS 8 2HG LYS 8 2.937 2.597 -4.590 84 2HG LYS 8 1HG LYS 8 3.225 1.192 -5.615 85 1HD LYS 8 2HD LYS 8 0.494 2.167 -4.784 86 2HD LYS 8 1HD LYS 8 1.272 2.572 -6.312 87 1HE LYS 8 2HE LYS 8 -0.226 0.769 -6.729 88 2HE LYS 8 1HE LYS 8 1.411 0.120 -6.796 89 1HZ LYS 8 1HZ LYS 8 -0.491 -1.068 -5.447 90 2HZ LYS 8 2HZ LYS 8 0.005 0.000 -4.233 91 3HZ LYS 8 3HZ LYS 8 1.114 -1.084 -4.909 92 H LYS 9 H LYS 9 3.315 1.672 -0.792 93 HA LYS 9 HA LYS 9 4.025 4.317 -1.316 94 1HB LYS 9 2HB LYS 9 4.082 2.911 1.358 95 2HB LYS 9 1HB LYS 9 3.969 4.646 1.099 96 1HG LYS 9 2HG LYS 9 1.794 4.346 0.025 97 2HG LYS 9 1HG LYS 9 1.908 2.605 0.289 98 1HD LYS 9 2HD LYS 9 2.010 3.005 2.719 99 2HD LYS 9 1HD LYS 9 1.829 4.735 2.426 100 1HE LYS 9 2HE LYS 9 -0.159 2.586 1.699 101 2HE LYS 9 1HE LYS 9 -0.303 3.723 3.038 102 1HZ LYS 9 1HZ LYS 9 -0.946 5.371 1.677 103 2HZ LYS 9 2HZ LYS 9 -1.364 4.118 0.620 104 3HZ LYS 9 3HZ LYS 9 0.112 4.924 0.434 105 H LEU 10 H LEU 10 5.906 1.705 0.152 106 HA LEU 10 HA LEU 10 8.193 3.199 0.778 107 1HB LEU 10 2HB LEU 10 7.804 0.981 1.689 108 2HB LEU 10 1HB LEU 10 7.918 0.272 0.091 109 HG LEU 10 HG LEU 10 10.293 0.934 -0.023 110 1HD1 LEU 10 1HD1 LEU 10 9.903 1.808 2.836 111 2HD1 LEU 10 2HD1 LEU 10 10.170 2.880 1.461 112 3HD1 LEU 10 3HD1 LEU 10 11.431 1.753 1.959 113 1HD2 LEU 10 1HD2 LEU 10 9.372 -1.254 1.015 114 2HD2 LEU 10 2HD2 LEU 10 9.920 -0.560 2.541 115 3HD2 LEU 10 3HD2 LEU 10 11.072 -0.843 1.237 116 H GLY 11 H GLY 11 9.923 3.860 -0.362 117 1HA GLY 11 2HA GLY 11 10.851 2.748 -2.765 118 2HA GLY 11 1HA GLY 11 9.780 4.082 -3.163 Start of MODEL 3 1 1H ARG 1 1HT ARG 1 -8.994 -0.441 6.045 2 2H ARG 1 2HT ARG 1 -8.911 1.069 6.801 3 3H ARG 1 3HT ARG 1 -7.906 -0.190 7.316 4 HA ARG 1 HA ARG 1 -6.722 1.458 5.970 5 1HB ARG 1 2HB ARG 1 -7.024 -1.309 4.782 6 2HB ARG 1 1HB ARG 1 -5.684 -0.216 4.461 7 1HG ARG 1 2HG ARG 1 -5.065 -0.279 6.822 8 2HG ARG 1 1HG ARG 1 -6.409 -1.376 7.144 9 1HD ARG 1 2HD ARG 1 -5.417 -3.021 5.619 10 2HD ARG 1 1HD ARG 1 -4.071 -1.923 5.318 11 HE ARG 1 HE ARG 1 -4.325 -3.697 7.491 12 1HH1 ARG 1 1HH1 ARG 1 -3.283 -0.451 6.757 13 2HH1 ARG 1 2HH1 ARG 1 -2.176 -0.370 8.088 14 1HH2 ARG 1 1HH2 ARG 1 -2.876 -3.596 9.244 15 2HH2 ARG 1 2HH2 ARG 1 -1.946 -2.158 9.502 16 H ARG 2 H ARG 2 -6.566 2.665 4.144 17 HA ARG 2 HA ARG 2 -8.826 3.351 2.717 18 1HB ARG 2 2HB ARG 2 -7.258 4.454 1.117 19 2HB ARG 2 1HB ARG 2 -6.960 4.843 2.806 20 1HG ARG 2 2HG ARG 2 -5.095 3.323 2.876 21 2HG ARG 2 1HG ARG 2 -5.434 2.784 1.231 22 1HD ARG 2 2HD ARG 2 -4.697 5.600 2.017 23 2HD ARG 2 1HD ARG 2 -3.579 4.411 1.349 24 HE ARG 2 HE ARG 2 -5.765 4.666 -0.387 25 1HH1 ARG 2 1HH1 ARG 2 -3.040 6.519 0.745 26 2HH1 ARG 2 2HH1 ARG 2 -2.892 7.435 -0.717 27 1HH2 ARG 2 1HH2 ARG 2 -5.576 5.865 -2.316 28 2HH2 ARG 2 2HH2 ARG 2 -4.335 7.065 -2.457 29 H TRP 3 H TRP 3 -6.414 0.898 1.965 30 HA TRP 3 HA TRP 3 -8.220 -0.344 0.113 31 1HB TRP 3 2HB TRP 3 -6.634 -0.290 -1.818 32 2HB TRP 3 1HB TRP 3 -7.308 1.281 -1.414 33 HD1 TRP 3 HD TRP 3 -4.602 0.502 0.983 34 HE1 TRP 3 1HE TRP 3 -2.424 1.685 0.290 35 HE3 TRP 3 3HE TRP 3 -5.905 1.891 -3.759 36 HZ2 TRP 3 2HZ TRP 3 -1.404 3.006 -1.968 37 HZ3 TRP 3 3HZ TRP 3 -4.259 3.107 -5.124 38 HH2 TRP 3 HH TRP 3 -2.050 3.659 -4.244 39 H GLN 4 H GLN 4 -5.768 -1.570 -1.241 40 HA GLN 4 HA GLN 4 -4.724 -3.197 0.952 41 1HB GLN 4 2HB GLN 4 -5.961 -4.349 -1.556 42 2HB GLN 4 1HB GLN 4 -5.187 -5.266 -0.269 43 1HG GLN 4 2HG GLN 4 -6.902 -4.529 1.294 44 2HG GLN 4 1HG GLN 4 -7.673 -3.598 0.014 45 1HE2 GLN 4 1HE2 GLN 4 -7.876 -6.370 1.700 46 2HE2 GLN 4 2HE2 GLN 4 -8.706 -7.365 0.558 47 H TRP 5 H TRP 5 -3.158 -1.382 -0.015 48 HA TRP 5 HA TRP 5 -1.770 -1.897 -2.404 49 1HB TRP 5 2HB TRP 5 -0.083 -0.362 -1.521 50 2HB TRP 5 1HB TRP 5 -1.701 0.258 -1.215 51 HD1 TRP 5 HD TRP 5 -2.582 -0.697 1.460 52 HE1 TRP 5 1HE TRP 5 -1.239 -0.343 3.632 53 HE3 TRP 5 3HE TRP 5 2.036 0.082 -0.562 54 HZ2 TRP 5 2HZ TRP 5 1.437 0.198 4.380 55 HZ3 TRP 5 3HZ TRP 5 3.937 0.511 0.936 56 HH2 TRP 5 HH TRP 5 3.644 0.568 3.357 57 H ARG 6 H ARG 6 0.943 -1.741 -0.991 58 HA ARG 6 HA ARG 6 1.339 -4.194 0.362 59 1HB ARG 6 2HB ARG 6 2.704 -5.307 -1.438 60 2HB ARG 6 1HB ARG 6 0.971 -5.277 -1.723 61 1HG ARG 6 2HG ARG 6 1.267 -3.366 -3.236 62 2HG ARG 6 1HG ARG 6 3.011 -3.450 -2.976 63 1HD ARG 6 2HD ARG 6 3.021 -5.731 -3.882 64 2HD ARG 6 1HD ARG 6 1.284 -5.620 -4.164 65 HE ARG 6 HE ARG 6 2.558 -3.475 -5.450 66 1HH1 ARG 6 1HH1 ARG 6 2.243 -6.936 -5.687 67 2HH1 ARG 6 2HH1 ARG 6 2.499 -6.971 -7.399 68 1HH2 ARG 6 1HH2 ARG 6 2.898 -3.512 -7.704 69 2HH2 ARG 6 2HH2 ARG 6 2.875 -5.026 -8.545 70 H MET 7 H MET 7 3.211 -2.308 -2.039 71 HA MET 7 HA MET 7 4.876 -1.160 0.006 72 1HB MET 7 2HB MET 7 6.074 -3.153 -1.936 73 2HB MET 7 1HB MET 7 7.002 -2.069 -0.913 74 1HG MET 7 2HG MET 7 6.119 -3.159 1.071 75 2HG MET 7 1HG MET 7 5.151 -4.231 0.061 76 1HE MET 7 1HE MET 7 6.203 -6.448 1.208 77 2HE MET 7 2HE MET 7 6.985 -5.300 2.295 78 3HE MET 7 3HE MET 7 7.931 -6.581 1.538 79 H LYS 8 H LYS 8 3.151 -0.223 -2.103 80 HA LYS 8 HA LYS 8 4.767 0.724 -4.270 81 1HB LYS 8 2HB LYS 8 2.001 1.574 -3.380 82 2HB LYS 8 1HB LYS 8 2.761 1.996 -4.910 83 1HG LYS 8 2HG LYS 8 2.786 -0.342 -5.566 84 2HG LYS 8 1HG LYS 8 2.074 -0.797 -4.017 85 1HD LYS 8 2HD LYS 8 0.081 0.529 -4.553 86 2HD LYS 8 1HD LYS 8 0.795 0.968 -6.106 87 1HE LYS 8 2HE LYS 8 -0.801 -0.857 -6.365 88 2HE LYS 8 1HE LYS 8 0.834 -1.387 -6.758 89 1HZ LYS 8 1HZ LYS 8 0.072 -1.770 -3.996 90 2HZ LYS 8 2HZ LYS 8 0.859 -2.826 -5.058 91 3HZ LYS 8 3HZ LYS 8 -0.827 -2.686 -5.099 92 H LYS 9 H LYS 9 3.476 2.017 -1.275 93 HA LYS 9 HA LYS 9 4.366 4.691 -1.703 94 1HB LYS 9 2HB LYS 9 3.693 3.301 0.896 95 2HB LYS 9 1HB LYS 9 3.836 5.039 0.661 96 1HG LYS 9 2HG LYS 9 1.946 4.973 -0.899 97 2HG LYS 9 1HG LYS 9 1.788 3.238 -0.615 98 1HD LYS 9 2HD LYS 9 1.396 3.692 1.776 99 2HD LYS 9 1HD LYS 9 1.488 5.424 1.444 100 1HE LYS 9 2HE LYS 9 -0.529 3.483 0.319 101 2HE LYS 9 1HE LYS 9 -0.829 4.702 1.556 102 1HZ LYS 9 1HZ LYS 9 -0.862 4.985 -1.259 103 2HZ LYS 9 2HZ LYS 9 0.285 6.037 -0.595 104 3HZ LYS 9 3HZ LYS 9 -1.322 6.100 -0.072 105 H LEU 10 H LEU 10 5.668 1.912 0.039 106 HA LEU 10 HA LEU 10 7.869 3.162 1.229 107 1HB LEU 10 2HB LEU 10 7.077 0.914 1.820 108 2HB LEU 10 1HB LEU 10 7.607 0.315 0.261 109 HG LEU 10 HG LEU 10 9.947 0.866 0.878 110 1HD1 LEU 10 1HD1 LEU 10 9.152 1.156 3.723 111 2HD1 LEU 10 2HD1 LEU 10 8.998 2.564 2.672 112 3HD1 LEU 10 3HD1 LEU 10 10.564 1.780 2.871 113 1HD2 LEU 10 1HD2 LEU 10 10.275 -1.022 2.281 114 2HD2 LEU 10 2HD2 LEU 10 8.886 -1.380 1.255 115 3HD2 LEU 10 3HD2 LEU 10 8.641 -0.901 2.934 116 H GLY 11 H GLY 11 9.907 3.637 0.560 117 1HA GLY 11 2HA GLY 11 11.150 2.604 -1.751 118 2HA GLY 11 1HA GLY 11 10.400 4.143 -2.149 Start of MODEL 4 1 1H ARG 1 1HT ARG 1 -7.172 0.333 6.996 2 2H ARG 1 2HT ARG 1 -7.898 -0.838 6.013 3 3H ARG 1 3HT ARG 1 -8.496 0.745 6.026 4 HA ARG 1 HA ARG 1 -6.066 1.322 5.305 5 1HB ARG 1 2HB ARG 1 -6.514 -1.526 4.393 6 2HB ARG 1 1HB ARG 1 -5.278 -0.470 3.731 7 1HG ARG 1 2HG ARG 1 -4.232 -1.889 5.313 8 2HG ARG 1 1HG ARG 1 -4.318 -0.283 6.033 9 1HD ARG 1 2HD ARG 1 -6.274 -0.961 7.327 10 2HD ARG 1 1HD ARG 1 -6.220 -2.558 6.583 11 HE ARG 1 HE ARG 1 -3.742 -2.072 7.774 12 1HH1 ARG 1 1HH1 ARG 1 -7.065 -2.560 8.709 13 2HH1 ARG 1 2HH1 ARG 1 -6.663 -3.249 10.247 14 1HH2 ARG 1 1HH2 ARG 1 -3.207 -2.977 9.794 15 2HH2 ARG 1 2HH2 ARG 1 -4.471 -3.485 10.864 16 H ARG 2 H ARG 2 -6.181 2.478 3.445 17 HA ARG 2 HA ARG 2 -8.652 2.881 2.200 18 1HB ARG 2 2HB ARG 2 -7.375 4.188 0.515 19 2HB ARG 2 1HB ARG 2 -6.994 4.622 2.175 20 1HG ARG 2 2HG ARG 2 -4.949 3.289 2.054 21 2HG ARG 2 1HG ARG 2 -5.331 2.861 0.384 22 1HD ARG 2 2HD ARG 2 -5.234 5.216 -0.247 23 2HD ARG 2 1HD ARG 2 -4.885 5.658 1.422 24 HE ARG 2 HE ARG 2 -2.967 3.805 0.533 25 1HH1 ARG 2 1HH1 ARG 2 -3.945 7.114 0.052 26 2HH1 ARG 2 2HH1 ARG 2 -2.361 7.654 -0.392 27 1HH2 ARG 2 1HH2 ARG 2 -0.876 4.507 -0.053 28 2HH2 ARG 2 2HH2 ARG 2 -0.616 6.172 -0.454 29 H TRP 3 H TRP 3 -6.234 0.515 1.638 30 HA TRP 3 HA TRP 3 -7.863 -0.805 -0.306 31 1HB TRP 3 2HB TRP 3 -6.097 -0.830 -2.096 32 2HB TRP 3 1HB TRP 3 -6.862 0.733 -1.850 33 HD1 TRP 3 HD TRP 3 -4.354 0.159 0.816 34 HE1 TRP 3 1HE TRP 3 -2.172 1.407 0.270 35 HE3 TRP 3 3HE TRP 3 -5.290 1.326 -4.070 36 HZ2 TRP 3 2HZ TRP 3 -1.012 2.690 -1.938 37 HZ3 TRP 3 3HZ TRP 3 -3.579 2.562 -5.333 38 HH2 TRP 3 HH TRP 3 -1.480 3.235 -4.286 39 H GLN 4 H GLN 4 -5.276 -2.049 -1.396 40 HA GLN 4 HA GLN 4 -4.396 -3.557 0.947 41 1HB GLN 4 2HB GLN 4 -5.398 -4.853 -1.598 42 2HB GLN 4 1HB GLN 4 -4.721 -5.691 -0.207 43 1HG GLN 4 2HG GLN 4 -6.578 -4.902 1.167 44 2HG GLN 4 1HG GLN 4 -7.260 -4.081 -0.233 45 1HE2 GLN 4 1HE2 GLN 4 -8.865 -5.139 -1.130 46 2HE2 GLN 4 2HE2 GLN 4 -9.047 -6.855 -1.208 47 H TRP 5 H TRP 5 -2.818 -1.739 0.005 48 HA TRP 5 HA TRP 5 -1.231 -2.291 -2.235 49 1HB TRP 5 2HB TRP 5 0.353 -0.697 -1.250 50 2HB TRP 5 1HB TRP 5 -1.300 -0.108 -1.120 51 HD1 TRP 5 HD TRP 5 -2.448 -0.864 1.456 52 HE1 TRP 5 1HE TRP 5 -1.341 -0.482 3.750 53 HE3 TRP 5 3HE TRP 5 2.412 -0.375 -0.056 54 HZ2 TRP 5 2HZ TRP 5 1.253 -0.033 4.778 55 HZ3 TRP 5 3HZ TRP 5 4.144 0.030 1.643 56 HH2 TRP 5 HH TRP 5 3.574 0.200 4.011 57 H ARG 6 H ARG 6 1.387 -2.053 -0.859 58 HA ARG 6 HA ARG 6 1.826 -4.384 0.705 59 1HB ARG 6 2HB ARG 6 3.171 -5.653 -0.916 60 2HB ARG 6 1HB ARG 6 1.488 -5.545 -1.406 61 1HG ARG 6 2HG ARG 6 3.676 -3.785 -2.490 62 2HG ARG 6 1HG ARG 6 3.145 -5.286 -3.247 63 1HD ARG 6 2HD ARG 6 1.442 -2.851 -2.731 64 2HD ARG 6 1HD ARG 6 2.091 -3.353 -4.292 65 HE ARG 6 HE ARG 6 0.589 -5.464 -3.229 66 1HH1 ARG 6 1HH1 ARG 6 0.129 -2.251 -4.500 67 2HH1 ARG 6 2HH1 ARG 6 -1.476 -2.568 -5.068 68 1HH2 ARG 6 1HH2 ARG 6 -1.518 -5.889 -3.972 69 2HH2 ARG 6 2HH2 ARG 6 -2.413 -4.638 -4.769 70 H MET 7 H MET 7 3.387 -2.264 -1.682 71 HA MET 7 HA MET 7 5.057 -1.007 0.205 72 1HB MET 7 2HB MET 7 7.237 -1.936 -0.475 73 2HB MET 7 1HB MET 7 6.215 -3.146 0.287 74 1HG MET 7 2HG MET 7 5.637 -4.054 -1.894 75 2HG MET 7 1HG MET 7 6.625 -2.823 -2.678 76 1HE MET 7 1HE MET 7 8.090 -4.743 -4.021 77 2HE MET 7 2HE MET 7 6.864 -5.804 -3.325 78 3HE MET 7 3HE MET 7 8.571 -6.223 -3.191 79 H LYS 8 H LYS 8 3.365 -0.367 -2.056 80 HA LYS 8 HA LYS 8 5.184 0.571 -4.124 81 1HB LYS 8 2HB LYS 8 2.185 0.866 -3.851 82 2HB LYS 8 1HB LYS 8 3.131 1.368 -5.246 83 1HG LYS 8 2HG LYS 8 3.789 -0.956 -5.635 84 2HG LYS 8 1HG LYS 8 2.831 -1.455 -4.240 85 1HD LYS 8 2HD LYS 8 1.586 -1.849 -6.284 86 2HD LYS 8 1HD LYS 8 0.810 -0.573 -5.344 87 1HE LYS 8 2HE LYS 8 0.875 -0.006 -7.717 88 2HE LYS 8 1HE LYS 8 1.847 1.117 -6.766 89 1HZ LYS 8 1HZ LYS 8 3.533 0.654 -8.105 90 2HZ LYS 8 2HZ LYS 8 2.650 -0.543 -8.910 91 3HZ LYS 8 3HZ LYS 8 3.541 -0.936 -7.526 92 H LYS 9 H LYS 9 2.962 1.902 -1.720 93 HA LYS 9 HA LYS 9 3.450 4.621 -2.301 94 1HB LYS 9 2HB LYS 9 2.372 5.065 -0.138 95 2HB LYS 9 1HB LYS 9 1.467 3.891 -1.085 96 1HG LYS 9 2HG LYS 9 2.566 2.087 0.249 97 2HG LYS 9 1HG LYS 9 3.250 3.348 1.277 98 1HD LYS 9 2HD LYS 9 0.307 2.883 0.794 99 2HD LYS 9 1HD LYS 9 1.201 2.387 2.232 100 1HE LYS 9 2HE LYS 9 0.809 5.219 1.268 101 2HE LYS 9 1HE LYS 9 -0.025 4.457 2.622 102 1HZ LYS 9 1HZ LYS 9 1.635 5.111 3.915 103 2HZ LYS 9 2HZ LYS 9 2.489 5.732 2.594 104 3HZ LYS 9 3HZ LYS 9 2.697 4.116 3.052 105 H LEU 10 H LEU 10 4.918 2.363 -0.025 106 HA LEU 10 HA LEU 10 6.500 4.179 1.402 107 1HB LEU 10 2HB LEU 10 6.128 1.869 2.116 108 2HB LEU 10 1HB LEU 10 7.046 1.284 0.743 109 HG LEU 10 HG LEU 10 9.067 2.400 1.658 110 1HD1 LEU 10 1HD1 LEU 10 9.120 3.497 3.680 111 2HD1 LEU 10 2HD1 LEU 10 7.638 2.734 4.256 112 3HD1 LEU 10 3HD1 LEU 10 7.557 4.012 3.043 113 1HD2 LEU 10 1HD2 LEU 10 9.130 0.862 3.771 114 2HD2 LEU 10 2HD2 LEU 10 9.057 0.156 2.156 115 3HD2 LEU 10 3HD2 LEU 10 7.595 0.268 3.136 116 H GLY 11 H GLY 11 7.291 2.220 -1.463 117 1HA GLY 11 2HA GLY 11 9.925 3.235 -1.751 118 2HA GLY 11 1HA GLY 11 9.004 2.390 -2.987 Start of MODEL 5 1 1H ARG 1 1HT ARG 1 -8.265 -0.757 7.308 2 2H ARG 1 2HT ARG 1 -9.267 0.063 6.221 3 3H ARG 1 3HT ARG 1 -8.795 0.811 7.662 4 HA ARG 1 HA ARG 1 -6.910 1.549 6.814 5 1HB ARG 1 2HB ARG 1 -6.076 -0.792 7.101 6 2HB ARG 1 1HB ARG 1 -6.574 -1.130 5.450 7 1HG ARG 1 2HG ARG 1 -4.987 0.449 4.589 8 2HG ARG 1 1HG ARG 1 -4.574 0.981 6.220 9 1HD ARG 1 2HD ARG 1 -3.785 -1.321 6.712 10 2HD ARG 1 1HD ARG 1 -4.090 -1.748 5.029 11 HE ARG 1 HE ARG 1 -2.067 -0.841 4.549 12 1HH1 ARG 1 1HH1 ARG 1 -3.304 0.757 7.392 13 2HH1 ARG 1 2HH1 ARG 1 -1.915 1.774 7.581 14 1HH2 ARG 1 1HH2 ARG 1 -0.234 0.494 4.797 15 2HH2 ARG 1 2HH2 ARG 1 -0.171 1.622 6.108 16 H ARG 2 H ARG 2 -6.117 2.543 4.897 17 HA ARG 2 HA ARG 2 -7.947 3.492 3.129 18 1HB ARG 2 2HB ARG 2 -5.743 4.468 3.326 19 2HB ARG 2 1HB ARG 2 -5.002 3.025 2.647 20 1HG ARG 2 2HG ARG 2 -6.133 3.457 0.515 21 2HG ARG 2 1HG ARG 2 -6.846 4.917 1.200 22 1HD ARG 2 2HD ARG 2 -4.622 5.855 1.547 23 2HD ARG 2 1HD ARG 2 -3.891 4.383 0.908 24 HE ARG 2 HE ARG 2 -5.653 5.410 -1.012 25 1HH1 ARG 2 1HH1 ARG 2 -2.628 6.217 0.517 26 2HH1 ARG 2 2HH1 ARG 2 -2.026 7.098 -0.846 27 1HH2 ARG 2 1HH2 ARG 2 -4.866 6.566 -2.814 28 2HH2 ARG 2 2HH2 ARG 2 -3.297 7.296 -2.739 29 H TRP 3 H TRP 3 -5.974 0.576 2.700 30 HA TRP 3 HA TRP 3 -7.911 -0.639 1.030 31 1HB TRP 3 2HB TRP 3 -6.497 -0.749 -1.047 32 2HB TRP 3 1HB TRP 3 -7.149 0.843 -0.692 33 HD1 TRP 3 HD TRP 3 -4.213 0.175 1.482 34 HE1 TRP 3 1HE TRP 3 -2.150 1.408 0.565 35 HE3 TRP 3 3HE TRP 3 -6.013 1.452 -3.126 36 HZ2 TRP 3 2HZ TRP 3 -1.398 2.736 -1.793 37 HZ3 TRP 3 3HZ TRP 3 -4.548 2.697 -4.657 38 HH2 TRP 3 HH TRP 3 -2.283 3.330 -4.003 39 H GLN 4 H GLN 4 -5.468 -1.871 -0.480 40 HA GLN 4 HA GLN 4 -4.299 -3.464 1.661 41 1HB GLN 4 2HB GLN 4 -4.856 -5.572 0.467 42 2HB GLN 4 1HB GLN 4 -6.275 -4.735 1.084 43 1HG GLN 4 2HG GLN 4 -6.693 -3.822 -1.149 44 2HG GLN 4 1HG GLN 4 -5.292 -4.697 -1.759 45 1HE2 GLN 4 1HE2 GLN 4 -6.595 -6.630 0.542 46 2HE2 GLN 4 2HE2 GLN 4 -7.632 -7.599 -0.441 47 H TRP 5 H TRP 5 -2.894 -1.647 0.433 48 HA TRP 5 HA TRP 5 -1.716 -2.186 -2.035 49 1HB TRP 5 2HB TRP 5 0.108 -0.709 -1.248 50 2HB TRP 5 1HB TRP 5 -1.486 -0.042 -0.906 51 HD1 TRP 5 HD TRP 5 -2.349 -0.818 1.772 52 HE1 TRP 5 1HE TRP 5 -0.963 -0.523 3.921 53 HE3 TRP 5 3HE TRP 5 2.316 -0.494 -0.302 54 HZ2 TRP 5 2HZ TRP 5 1.742 -0.193 4.641 55 HZ3 TRP 5 3HZ TRP 5 4.249 -0.187 1.190 56 HH2 TRP 5 HH TRP 5 3.965 -0.041 3.610 57 H ARG 6 H ARG 6 1.090 -2.122 -1.315 58 HA ARG 6 HA ARG 6 1.619 -4.657 0.006 59 1HB ARG 6 2HB ARG 6 2.432 -4.172 -2.870 60 2HB ARG 6 1HB ARG 6 2.893 -5.559 -1.894 61 1HG ARG 6 2HG ARG 6 0.575 -6.268 -1.764 62 2HG ARG 6 1HG ARG 6 0.076 -4.848 -2.686 63 1HD ARG 6 2HD ARG 6 1.474 -5.636 -4.571 64 2HD ARG 6 1HD ARG 6 1.847 -7.092 -3.649 65 HE ARG 6 HE ARG 6 -0.936 -6.824 -3.802 66 1HH1 ARG 6 1HH1 ARG 6 1.789 -7.484 -5.870 67 2HH1 ARG 6 2HH1 ARG 6 0.869 -8.422 -6.999 68 1HH2 ARG 6 1HH2 ARG 6 -2.156 -8.055 -5.285 69 2HH2 ARG 6 2HH2 ARG 6 -1.373 -8.746 -6.667 70 H MET 7 H MET 7 3.254 -2.341 -2.166 71 HA MET 7 HA MET 7 4.857 -1.177 -0.180 72 1HB MET 7 2HB MET 7 7.056 -2.171 -0.793 73 2HB MET 7 1HB MET 7 5.970 -3.307 -0.004 74 1HG MET 7 2HG MET 7 5.400 -4.271 -2.172 75 2HG MET 7 1HG MET 7 6.486 -3.131 -2.964 76 1HE MET 7 1HE MET 7 7.182 -6.760 -0.506 77 2HE MET 7 2HE MET 7 6.154 -5.392 -0.082 78 3HE MET 7 3HE MET 7 7.826 -5.446 0.478 79 H LYS 8 H LYS 8 3.374 -0.174 -2.271 80 HA LYS 8 HA LYS 8 5.258 0.564 -4.376 81 1HB LYS 8 2HB LYS 8 2.313 1.161 -4.059 82 2HB LYS 8 1HB LYS 8 3.291 1.621 -5.445 83 1HG LYS 8 2HG LYS 8 3.703 -0.730 -5.945 84 2HG LYS 8 1HG LYS 8 2.738 -1.199 -4.544 85 1HD LYS 8 2HD LYS 8 1.417 -1.381 -6.575 86 2HD LYS 8 1HD LYS 8 0.781 -0.096 -5.546 87 1HE LYS 8 2HE LYS 8 1.942 1.570 -6.908 88 2HE LYS 8 1HE LYS 8 2.590 0.287 -7.931 89 1HZ LYS 8 1HZ LYS 8 0.528 1.507 -8.740 90 2HZ LYS 8 2HZ LYS 8 -0.321 0.644 -7.560 91 3HZ LYS 8 3HZ LYS 8 0.489 -0.184 -8.791 92 H LYS 9 H LYS 9 3.114 2.155 -2.025 93 HA LYS 9 HA LYS 9 4.111 4.760 -2.573 94 1HB LYS 9 2HB LYS 9 2.890 5.418 -0.510 95 2HB LYS 9 1HB LYS 9 1.902 4.532 -1.663 96 1HG LYS 9 2HG LYS 9 2.146 2.507 -0.338 97 2HG LYS 9 1HG LYS 9 3.177 3.370 0.806 98 1HD LYS 9 2HD LYS 9 1.347 4.850 1.384 99 2HD LYS 9 1HD LYS 9 0.313 4.085 0.176 100 1HE LYS 9 2HE LYS 9 0.468 1.970 1.399 101 2HE LYS 9 1HE LYS 9 1.489 2.745 2.609 102 1HZ LYS 9 1HZ LYS 9 -1.124 2.515 2.884 103 2HZ LYS 9 2HZ LYS 9 -1.087 3.994 2.065 104 3HZ LYS 9 3HZ LYS 9 -0.258 3.820 3.528 105 H LEU 10 H LEU 10 4.842 2.351 -0.096 106 HA LEU 10 HA LEU 10 6.536 3.936 1.483 107 1HB LEU 10 2HB LEU 10 5.669 1.792 2.246 108 2HB LEU 10 1HB LEU 10 6.581 0.956 1.004 109 HG LEU 10 HG LEU 10 8.685 1.674 2.082 110 1HD1 LEU 10 1HD1 LEU 10 7.642 2.379 4.646 111 2HD1 LEU 10 2HD1 LEU 10 6.993 3.477 3.428 112 3HD1 LEU 10 3HD1 LEU 10 8.738 3.285 3.601 113 1HD2 LEU 10 1HD2 LEU 10 8.682 -0.084 3.506 114 2HD2 LEU 10 2HD2 LEU 10 7.125 -0.398 2.740 115 3HD2 LEU 10 3HD2 LEU 10 7.190 0.420 4.301 116 H GLY 11 H GLY 11 8.628 4.525 1.325 117 1HA GLY 11 2HA GLY 11 10.620 3.223 -0.149 118 2HA GLY 11 1HA GLY 11 9.924 4.467 -1.178 Start of MODEL 6 1 1H ARG 1 1HT ARG 1 -9.263 0.641 6.546 2 2H ARG 1 2HT ARG 1 -8.118 1.031 7.727 3 3H ARG 1 3HT ARG 1 -8.119 -0.509 7.027 4 HA ARG 1 HA ARG 1 -6.805 1.834 6.173 5 1HB ARG 1 2HB ARG 1 -6.914 -1.008 5.143 6 2HB ARG 1 1HB ARG 1 -5.731 0.189 4.637 7 1HG ARG 1 2HG ARG 1 -4.951 0.352 6.975 8 2HG ARG 1 1HG ARG 1 -6.080 -0.933 7.409 9 1HD ARG 1 2HD ARG 1 -4.957 -2.455 5.877 10 2HD ARG 1 1HD ARG 1 -3.852 -1.171 5.389 11 HE ARG 1 HE ARG 1 -3.692 -1.482 8.169 12 1HH1 ARG 1 1HH1 ARG 1 -2.901 -3.209 5.246 13 2HH1 ARG 1 2HH1 ARG 1 -1.574 -4.065 5.959 14 1HH2 ARG 1 1HH2 ARG 1 -1.944 -2.605 9.114 15 2HH2 ARG 1 2HH2 ARG 1 -1.032 -3.723 8.156 16 H ARG 2 H ARG 2 -6.861 2.947 4.281 17 HA ARG 2 HA ARG 2 -9.279 3.317 2.966 18 1HB ARG 2 2HB ARG 2 -7.977 4.593 1.296 19 2HB ARG 2 1HB ARG 2 -7.562 5.018 2.951 20 1HG ARG 2 2HG ARG 2 -5.570 3.592 2.803 21 2HG ARG 2 1HG ARG 2 -5.980 3.219 1.127 22 1HD ARG 2 2HD ARG 2 -5.380 5.957 2.240 23 2HD ARG 2 1HD ARG 2 -4.290 4.978 1.261 24 HE ARG 2 HE ARG 2 -6.670 5.302 -0.159 25 1HH1 ARG 2 1HH1 ARG 2 -4.004 7.229 0.994 26 2HH1 ARG 2 2HH1 ARG 2 -4.137 8.400 -0.275 27 1HH2 ARG 2 1HH2 ARG 2 -6.851 6.843 -1.831 28 2HH2 ARG 2 2HH2 ARG 2 -5.753 8.181 -1.878 29 H TRP 3 H TRP 3 -6.628 1.138 2.220 30 HA TRP 3 HA TRP 3 -8.341 -0.269 0.364 31 1HB TRP 3 2HB TRP 3 -6.626 -0.260 -1.455 32 2HB TRP 3 1HB TRP 3 -7.367 1.305 -1.168 33 HD1 TRP 3 HD TRP 3 -4.779 0.659 1.417 34 HE1 TRP 3 1HE TRP 3 -2.634 1.964 0.845 35 HE3 TRP 3 3HE TRP 3 -5.892 1.981 -3.391 36 HZ2 TRP 3 2HZ TRP 3 -1.568 3.353 -1.353 37 HZ3 TRP 3 3HZ TRP 3 -4.246 3.291 -4.664 38 HH2 TRP 3 HH TRP 3 -2.124 3.966 -3.663 39 H GLN 4 H GLN 4 -5.559 -1.318 -0.691 40 HA GLN 4 HA GLN 4 -4.587 -2.834 1.556 41 1HB GLN 4 2HB GLN 4 -5.101 -5.033 0.477 42 2HB GLN 4 1HB GLN 4 -6.521 -4.168 1.055 43 1HG GLN 4 2HG GLN 4 -6.939 -3.370 -1.227 44 2HG GLN 4 1HG GLN 4 -5.549 -4.297 -1.788 45 1HE2 GLN 4 1HE2 GLN 4 -6.092 -6.120 -2.728 46 2HE2 GLN 4 2HE2 GLN 4 -7.438 -7.124 -2.318 47 H TRP 5 H TRP 5 -3.104 -1.152 0.275 48 HA TRP 5 HA TRP 5 -1.855 -1.841 -2.119 49 1HB TRP 5 2HB TRP 5 -0.027 -0.367 -1.339 50 2HB TRP 5 1HB TRP 5 -1.613 0.349 -1.062 51 HD1 TRP 5 HD TRP 5 -2.569 -0.290 1.607 52 HE1 TRP 5 1HE TRP 5 -1.233 0.014 3.790 53 HE3 TRP 5 3HE TRP 5 2.163 -0.206 -0.334 54 HZ2 TRP 5 2HZ TRP 5 1.466 0.255 4.583 55 HZ3 TRP 5 3HZ TRP 5 4.065 0.065 1.204 56 HH2 TRP 5 HH TRP 5 3.722 0.291 3.610 57 H ARG 6 H ARG 6 0.921 -1.820 -1.325 58 HA ARG 6 HA ARG 6 1.372 -4.253 0.188 59 1HB ARG 6 2HB ARG 6 2.160 -4.049 -2.727 60 2HB ARG 6 1HB ARG 6 2.671 -5.325 -1.632 61 1HG ARG 6 2HG ARG 6 0.337 -6.017 -1.362 62 2HG ARG 6 1HG ARG 6 -0.158 -4.748 -2.484 63 1HD ARG 6 2HD ARG 6 1.230 -5.786 -4.232 64 2HD ARG 6 1HD ARG 6 1.656 -7.076 -3.108 65 HE ARG 6 HE ARG 6 -1.143 -6.894 -3.289 66 1HH1 ARG 6 1HH1 ARG 6 1.616 -7.876 -5.184 67 2HH1 ARG 6 2HH1 ARG 6 0.718 -9.014 -6.131 68 1HH2 ARG 6 1HH2 ARG 6 -2.327 -8.388 -4.532 69 2HH2 ARG 6 2HH2 ARG 6 -1.522 -9.306 -5.762 70 H MET 7 H MET 7 3.012 -2.109 -2.145 71 HA MET 7 HA MET 7 4.684 -0.881 -0.252 72 1HB MET 7 2HB MET 7 6.846 -1.931 -0.860 73 2HB MET 7 1HB MET 7 5.759 -3.041 -0.036 74 1HG MET 7 2HG MET 7 5.145 -4.028 -2.193 75 2HG MET 7 1HG MET 7 6.261 -2.929 -3.003 76 1HE MET 7 1HE MET 7 7.730 -5.769 0.250 77 2HE MET 7 2HE MET 7 6.275 -6.326 -0.577 78 3HE MET 7 3HE MET 7 6.275 -4.773 0.261 79 H LYS 8 H LYS 8 3.129 -0.002 -2.375 80 HA LYS 8 HA LYS 8 4.940 0.624 -4.568 81 1HB LYS 8 2HB LYS 8 2.034 1.343 -4.152 82 2HB LYS 8 1HB LYS 8 2.961 1.667 -5.607 83 1HG LYS 8 2HG LYS 8 2.578 -1.117 -4.556 84 2HG LYS 8 1HG LYS 8 1.404 -0.346 -5.619 85 1HD LYS 8 2HD LYS 8 2.794 -1.609 -7.039 86 2HD LYS 8 1HD LYS 8 3.345 0.056 -7.217 87 1HE LYS 8 2HE LYS 8 5.189 -0.378 -5.686 88 2HE LYS 8 1HE LYS 8 4.620 -2.030 -5.449 89 1HZ LYS 8 1HZ LYS 8 6.437 -1.936 -7.037 90 2HZ LYS 8 2HZ LYS 8 5.561 -0.875 -8.021 91 3HZ LYS 8 3HZ LYS 8 5.018 -2.461 -7.795 92 H LYS 9 H LYS 9 3.009 2.339 -2.132 93 HA LYS 9 HA LYS 9 3.942 4.920 -2.847 94 1HB LYS 9 2HB LYS 9 2.936 5.667 -0.745 95 2HB LYS 9 1HB LYS 9 1.849 4.610 -1.633 96 1HG LYS 9 2HG LYS 9 2.482 2.746 -0.167 97 2HG LYS 9 1HG LYS 9 3.534 3.837 0.741 98 1HD LYS 9 2HD LYS 9 1.570 5.234 1.278 99 2HD LYS 9 1HD LYS 9 0.542 4.079 0.428 100 1HE LYS 9 2HE LYS 9 0.464 3.682 2.820 101 2HE LYS 9 1HE LYS 9 1.230 2.324 1.995 102 1HZ LYS 9 1HZ LYS 9 2.304 3.239 4.119 103 2HZ LYS 9 2HZ LYS 9 2.860 4.501 3.140 104 3HZ LYS 9 3HZ LYS 9 3.307 2.907 2.797 105 H LEU 10 H LEU 10 5.050 2.507 -0.547 106 HA LEU 10 HA LEU 10 6.830 4.037 0.945 107 1HB LEU 10 2HB LEU 10 6.238 1.739 1.514 108 2HB LEU 10 1HB LEU 10 7.076 1.153 0.090 109 HG LEU 10 HG LEU 10 9.211 1.972 1.034 110 1HD1 LEU 10 1HD1 LEU 10 8.384 3.766 2.428 111 2HD1 LEU 10 2HD1 LEU 10 9.286 2.611 3.409 112 3HD1 LEU 10 3HD1 LEU 10 7.522 2.613 3.447 113 1HD2 LEU 10 1HD2 LEU 10 9.548 0.113 2.340 114 2HD2 LEU 10 2HD2 LEU 10 8.081 -0.346 1.476 115 3HD2 LEU 10 3HD2 LEU 10 7.980 0.250 3.132 116 H GLY 11 H GLY 11 8.862 4.794 0.647 117 1HA GLY 11 2HA GLY 11 10.697 3.862 -1.271 118 2HA GLY 11 1HA GLY 11 9.827 5.230 -1.950 Start of MODEL 7 1 1H ARG 1 1HT ARG 1 -8.851 1.565 6.691 2 2H ARG 1 2HT ARG 1 -7.850 0.962 7.913 3 3H ARG 1 3HT ARG 1 -8.478 -0.084 6.742 4 HA ARG 1 HA ARG 1 -6.250 1.786 6.575 5 1HB ARG 1 2HB ARG 1 -6.863 -0.876 5.276 6 2HB ARG 1 1HB ARG 1 -5.319 -0.038 5.217 7 1HG ARG 1 2HG ARG 1 -5.151 -0.245 7.670 8 2HG ARG 1 1HG ARG 1 -6.654 -1.169 7.668 9 1HD ARG 1 2HD ARG 1 -4.752 -2.668 7.740 10 2HD ARG 1 1HD ARG 1 -5.606 -2.843 6.208 11 HE ARG 1 HE ARG 1 -3.665 -2.272 5.174 12 1HH1 ARG 1 1HH1 ARG 1 -3.628 -0.875 8.371 13 2HH1 ARG 1 2HH1 ARG 1 -2.050 -0.186 8.188 14 1HH2 ARG 1 1HH2 ARG 1 -1.589 -1.368 4.932 15 2HH2 ARG 1 2HH2 ARG 1 -0.892 -0.466 6.236 16 H ARG 2 H ARG 2 -5.591 2.756 4.658 17 HA ARG 2 HA ARG 2 -7.485 3.967 3.071 18 1HB ARG 2 2HB ARG 2 -5.145 4.705 3.241 19 2HB ARG 2 1HB ARG 2 -4.635 3.302 2.314 20 1HG ARG 2 2HG ARG 2 -5.923 4.115 0.394 21 2HG ARG 2 1HG ARG 2 -6.396 5.537 1.327 22 1HD ARG 2 2HD ARG 2 -4.036 6.163 1.549 23 2HD ARG 2 1HD ARG 2 -3.574 4.749 0.604 24 HE ARG 2 HE ARG 2 -4.015 5.965 -1.265 25 1HH1 ARG 2 1HH1 ARG 2 -5.887 7.300 1.357 26 2HH1 ARG 2 2HH1 ARG 2 -6.557 8.576 0.397 27 1HH2 ARG 2 1HH2 ARG 2 -4.892 7.644 -2.532 28 2HH2 ARG 2 2HH2 ARG 2 -5.992 8.771 -1.812 29 H TRP 3 H TRP 3 -5.760 0.942 2.501 30 HA TRP 3 HA TRP 3 -7.823 -0.135 0.904 31 1HB TRP 3 2HB TRP 3 -6.498 -0.312 -1.238 32 2HB TRP 3 1HB TRP 3 -7.079 1.301 -0.856 33 HD1 TRP 3 HD TRP 3 -4.145 0.735 1.260 34 HE1 TRP 3 1HE TRP 3 -2.036 1.750 0.195 35 HE3 TRP 3 3HE TRP 3 -5.922 1.528 -3.465 36 HZ2 TRP 3 2HZ TRP 3 -1.240 2.733 -2.311 37 HZ3 TRP 3 3HZ TRP 3 -4.411 2.505 -5.142 38 HH2 TRP 3 HH TRP 3 -2.113 3.100 -4.574 39 H GLN 4 H GLN 4 -5.543 -1.545 -0.711 40 HA GLN 4 HA GLN 4 -4.485 -3.214 1.450 41 1HB GLN 4 2HB GLN 4 -5.875 -4.286 -1.012 42 2HB GLN 4 1HB GLN 4 -5.085 -5.255 0.225 43 1HG GLN 4 2HG GLN 4 -6.690 -4.408 1.880 44 2HG GLN 4 1HG GLN 4 -7.500 -3.502 0.606 45 1HE2 GLN 4 1HE2 GLN 4 -6.438 -6.247 -0.823 46 2HE2 GLN 4 2HE2 GLN 4 -7.835 -7.243 -0.630 47 H TRP 5 H TRP 5 -2.914 -1.419 0.346 48 HA TRP 5 HA TRP 5 -1.605 -2.080 -2.050 49 1HB TRP 5 2HB TRP 5 0.180 -0.579 -1.242 50 2HB TRP 5 1HB TRP 5 -1.419 0.125 -1.021 51 HD1 TRP 5 HD TRP 5 -2.423 -0.446 1.654 52 HE1 TRP 5 1HE TRP 5 -1.134 -0.062 3.847 53 HE3 TRP 5 3HE TRP 5 2.340 -0.376 -0.204 54 HZ2 TRP 5 2HZ TRP 5 1.546 0.237 4.680 55 HZ3 TRP 5 3HZ TRP 5 4.210 -0.032 1.359 56 HH2 TRP 5 HH TRP 5 3.818 0.268 3.750 57 H ARG 6 H ARG 6 1.143 -2.049 -1.206 58 HA ARG 6 HA ARG 6 1.551 -4.470 0.346 59 1HB ARG 6 2HB ARG 6 2.456 -4.277 -2.536 60 2HB ARG 6 1HB ARG 6 2.894 -5.558 -1.417 61 1HG ARG 6 2HG ARG 6 0.504 -6.168 -1.243 62 2HG ARG 6 1HG ARG 6 0.139 -4.946 -2.463 63 1HD ARG 6 2HD ARG 6 1.912 -7.361 -2.815 64 2HD ARG 6 1HD ARG 6 0.295 -7.145 -3.481 65 HE ARG 6 HE ARG 6 1.872 -5.023 -4.365 66 1HH1 ARG 6 1HH1 ARG 6 1.683 -8.483 -4.728 67 2HH1 ARG 6 2HH1 ARG 6 2.362 -8.483 -6.322 68 1HH2 ARG 6 1HH2 ARG 6 2.767 -5.013 -6.465 69 2HH2 ARG 6 2HH2 ARG 6 2.978 -6.512 -7.308 70 H MET 7 H MET 7 3.219 -2.259 -1.901 71 HA MET 7 HA MET 7 4.845 -1.088 0.058 72 1HB MET 7 2HB MET 7 7.049 -2.099 -0.760 73 2HB MET 7 1HB MET 7 6.064 -3.070 0.323 74 1HG MET 7 2HG MET 7 6.932 -4.471 -1.403 75 2HG MET 7 1HG MET 7 5.193 -4.303 -1.628 76 1HE MET 7 1HE MET 7 6.581 -4.647 -5.288 77 2HE MET 7 2HE MET 7 5.523 -5.339 -4.059 78 3HE MET 7 3HE MET 7 7.273 -5.410 -3.857 79 H LYS 8 H LYS 8 3.292 -0.287 -2.182 80 HA LYS 8 HA LYS 8 5.149 0.528 -4.253 81 1HB LYS 8 2HB LYS 8 2.223 1.174 -3.849 82 2HB LYS 8 1HB LYS 8 3.169 1.613 -5.264 83 1HG LYS 8 2HG LYS 8 3.510 -0.741 -5.783 84 2HG LYS 8 1HG LYS 8 2.594 -1.196 -4.347 85 1HD LYS 8 2HD LYS 8 0.610 -0.097 -5.256 86 2HD LYS 8 1HD LYS 8 1.527 0.387 -6.685 87 1HE LYS 8 2HE LYS 8 0.976 -2.448 -5.814 88 2HE LYS 8 1HE LYS 8 0.151 -1.593 -7.117 89 1HZ LYS 8 1HZ LYS 8 3.036 -2.293 -7.022 90 2HZ LYS 8 2HZ LYS 8 2.306 -1.385 -8.247 91 3HZ LYS 8 3HZ LYS 8 1.863 -3.001 -8.016 92 H LYS 9 H LYS 9 3.136 2.051 -1.776 93 HA LYS 9 HA LYS 9 4.104 4.689 -2.276 94 1HB LYS 9 2HB LYS 9 2.945 5.276 -0.177 95 2HB LYS 9 1HB LYS 9 1.919 4.363 -1.274 96 1HG LYS 9 2HG LYS 9 2.359 2.331 0.029 97 2HG LYS 9 1HG LYS 9 3.348 3.275 1.142 98 1HD LYS 9 2HD LYS 9 1.203 3.042 2.144 99 2HD LYS 9 1HD LYS 9 1.325 4.704 1.571 100 1HE LYS 9 2HE LYS 9 -0.044 2.471 0.075 101 2HE LYS 9 1HE LYS 9 -0.871 3.637 1.104 102 1HZ LYS 9 1HZ LYS 9 -1.108 4.624 -0.919 103 2HZ LYS 9 2HZ LYS 9 0.350 4.023 -1.530 104 3HZ LYS 9 3HZ LYS 9 0.360 5.326 -0.452 105 H LEU 10 H LEU 10 4.986 2.098 -0.088 106 HA LEU 10 HA LEU 10 6.640 3.462 1.678 107 1HB LEU 10 2HB LEU 10 5.976 1.133 1.984 108 2HB LEU 10 1HB LEU 10 6.932 0.660 0.591 109 HG LEU 10 HG LEU 10 8.981 1.376 1.799 110 1HD1 LEU 10 1HD1 LEU 10 8.984 2.318 3.843 111 2HD1 LEU 10 2HD1 LEU 10 7.589 1.389 4.393 112 3HD1 LEU 10 3HD1 LEU 10 7.356 2.819 3.387 113 1HD2 LEU 10 1HD2 LEU 10 7.358 -0.907 2.251 114 2HD2 LEU 10 2HD2 LEU 10 8.128 -0.470 3.776 115 3HD2 LEU 10 3HD2 LEU 10 9.113 -0.767 2.344 116 H GLY 11 H GLY 11 8.653 4.282 1.587 117 1HA GLY 11 2HA GLY 11 10.691 3.475 -0.162 118 2HA GLY 11 1HA GLY 11 9.859 4.842 -0.889 Start of MODEL 8 1 1H ARG 1 1HT ARG 1 -5.390 2.318 7.709 2 2H ARG 1 2HT ARG 1 -6.685 3.278 7.202 3 3H ARG 1 3HT ARG 1 -5.098 3.740 6.841 4 HA ARG 1 HA ARG 1 -4.963 2.442 5.057 5 1HB ARG 1 2HB ARG 1 -6.611 0.385 6.545 6 2HB ARG 1 1HB ARG 1 -5.714 0.114 5.058 7 1HG ARG 1 2HG ARG 1 -4.563 0.745 7.767 8 2HG ARG 1 1HG ARG 1 -4.499 -0.800 6.920 9 1HD ARG 1 2HD ARG 1 -3.150 0.217 5.154 10 2HD ARG 1 1HD ARG 1 -3.234 1.773 5.980 11 HE ARG 1 HE ARG 1 -2.185 -0.149 7.741 12 1HH1 ARG 1 1HH1 ARG 1 -1.326 1.609 4.858 13 2HH1 ARG 1 2HH1 ARG 1 0.374 1.560 5.180 14 1HH2 ARG 1 1HH2 ARG 1 0.050 -0.216 8.176 15 2HH2 ARG 1 2HH2 ARG 1 1.157 0.525 7.069 16 H ARG 2 H ARG 2 -6.159 2.267 3.159 17 HA ARG 2 HA ARG 2 -9.059 2.478 3.315 18 1HB ARG 2 2HB ARG 2 -8.897 4.398 1.587 19 2HB ARG 2 1HB ARG 2 -8.668 4.766 3.289 20 1HG ARG 2 2HG ARG 2 -7.027 5.955 2.031 21 2HG ARG 2 1HG ARG 2 -6.214 4.672 2.924 22 1HD ARG 2 2HD ARG 2 -5.329 4.799 0.679 23 2HD ARG 2 1HD ARG 2 -6.209 3.287 0.889 24 HE ARG 2 HE ARG 2 -7.520 3.936 -0.845 25 1HH1 ARG 2 1HH1 ARG 2 -6.298 6.813 0.703 26 2HH1 ARG 2 2HH1 ARG 2 -7.086 7.892 -0.397 27 1HH2 ARG 2 1HH2 ARG 2 -8.557 5.353 -2.296 28 2HH2 ARG 2 2HH2 ARG 2 -8.369 7.064 -2.100 29 H TRP 3 H TRP 3 -7.155 0.464 2.378 30 HA TRP 3 HA TRP 3 -8.482 -0.324 0.043 31 1HB TRP 3 2HB TRP 3 -6.544 -0.188 -1.566 32 2HB TRP 3 1HB TRP 3 -7.300 1.349 -1.175 33 HD1 TRP 3 HD TRP 3 -5.040 0.315 1.586 34 HE1 TRP 3 1HE TRP 3 -2.839 1.642 1.442 35 HE3 TRP 3 3HE TRP 3 -5.577 2.267 -3.102 36 HZ2 TRP 3 2HZ TRP 3 -1.514 3.281 -0.421 37 HZ3 TRP 3 3HZ TRP 3 -3.787 3.694 -3.997 38 HH2 TRP 3 HH TRP 3 -1.796 4.195 -2.680 39 H GLN 4 H GLN 4 -5.582 -1.340 -0.832 40 HA GLN 4 HA GLN 4 -4.893 -3.203 1.214 41 1HB GLN 4 2HB GLN 4 -5.494 -5.240 -0.093 42 2HB GLN 4 1HB GLN 4 -6.891 -4.337 0.479 43 1HG GLN 4 2HG GLN 4 -7.147 -3.328 -1.725 44 2HG GLN 4 1HG GLN 4 -5.750 -4.232 -2.301 45 1HE2 GLN 4 1HE2 GLN 4 -6.274 -5.933 -3.457 46 2HE2 GLN 4 2HE2 GLN 4 -7.668 -6.930 -3.241 47 H TRP 5 H TRP 5 -3.291 -1.448 0.114 48 HA TRP 5 HA TRP 5 -1.977 -2.037 -2.274 49 1HB TRP 5 2HB TRP 5 -0.120 -0.693 -1.340 50 2HB TRP 5 1HB TRP 5 -1.687 0.078 -1.107 51 HD1 TRP 5 HD TRP 5 -2.793 -0.609 1.485 52 HE1 TRP 5 1HE TRP 5 -1.554 -0.443 3.735 53 HE3 TRP 5 3HE TRP 5 2.019 -0.708 -0.234 54 HZ2 TRP 5 2HZ TRP 5 1.118 -0.369 4.659 55 HZ3 TRP 5 3HZ TRP 5 3.859 -0.588 1.395 56 HH2 TRP 5 HH TRP 5 3.414 -0.422 3.790 57 H ARG 6 H ARG 6 0.766 -2.180 -1.416 58 HA ARG 6 HA ARG 6 1.084 -4.688 -0.001 59 1HB ARG 6 2HB ARG 6 1.851 -4.418 -2.914 60 2HB ARG 6 1HB ARG 6 2.396 -5.718 -1.865 61 1HG ARG 6 2HG ARG 6 0.070 -6.422 -1.545 62 2HG ARG 6 1HG ARG 6 -0.458 -5.133 -2.630 63 1HD ARG 6 2HD ARG 6 -0.334 -7.277 -3.794 64 2HD ARG 6 1HD ARG 6 0.828 -6.124 -4.449 65 HE ARG 6 HE ARG 6 2.124 -7.629 -2.492 66 1HH1 ARG 6 1HH1 ARG 6 0.672 -8.093 -5.625 67 2HH1 ARG 6 2HH1 ARG 6 1.711 -9.411 -6.054 68 1HH2 ARG 6 1HH2 ARG 6 3.498 -9.358 -3.050 69 2HH2 ARG 6 2HH2 ARG 6 3.319 -10.128 -4.592 70 H MET 7 H MET 7 2.763 -2.378 -2.139 71 HA MET 7 HA MET 7 4.537 -1.481 -0.148 72 1HB MET 7 2HB MET 7 6.636 -2.497 -0.988 73 2HB MET 7 1HB MET 7 5.536 -3.679 -0.294 74 1HG MET 7 2HG MET 7 4.807 -4.309 -2.550 75 2HG MET 7 1HG MET 7 5.948 -3.148 -3.228 76 1HE MET 7 1HE MET 7 8.403 -3.143 -2.727 77 2HE MET 7 2HE MET 7 9.382 -4.586 -2.467 78 3HE MET 7 3HE MET 7 8.610 -3.785 -1.099 79 H LYS 8 H LYS 8 2.941 -0.274 -2.098 80 HA LYS 8 HA LYS 8 4.700 0.618 -4.233 81 1HB LYS 8 2HB LYS 8 1.857 1.391 -3.552 82 2HB LYS 8 1HB LYS 8 2.737 1.931 -4.975 83 1HG LYS 8 2HG LYS 8 2.048 -0.927 -4.327 84 2HG LYS 8 1HG LYS 8 1.201 0.100 -5.483 85 1HD LYS 8 2HD LYS 8 4.113 -0.678 -5.652 86 2HD LYS 8 1HD LYS 8 2.806 -1.428 -6.570 87 1HE LYS 8 2HE LYS 8 2.310 0.745 -7.605 88 2HE LYS 8 1HE LYS 8 3.643 1.468 -6.705 89 1HZ LYS 8 1HZ LYS 8 3.732 0.130 -9.165 90 2HZ LYS 8 2HZ LYS 8 4.619 -0.782 -8.050 91 3HZ LYS 8 3HZ LYS 8 5.009 0.843 -8.314 92 H LYS 9 H LYS 9 3.021 1.972 -1.434 93 HA LYS 9 HA LYS 9 4.065 4.600 -1.733 94 1HB LYS 9 2HB LYS 9 3.220 4.962 0.552 95 2HB LYS 9 1HB LYS 9 2.020 4.190 -0.477 96 1HG LYS 9 2HG LYS 9 2.629 2.009 0.521 97 2HG LYS 9 1HG LYS 9 3.728 2.854 1.613 98 1HD LYS 9 2HD LYS 9 1.641 2.428 2.749 99 2HD LYS 9 1HD LYS 9 1.809 4.162 2.468 100 1HE LYS 9 2HE LYS 9 0.347 3.986 0.514 101 2HE LYS 9 1HE LYS 9 0.180 2.253 0.793 102 1HZ LYS 9 1HZ LYS 9 -0.983 2.642 2.796 103 2HZ LYS 9 2HZ LYS 9 -1.676 3.677 1.651 104 3HZ LYS 9 3HZ LYS 9 -0.599 4.290 2.800 105 H LEU 10 H LEU 10 5.062 1.755 0.080 106 HA LEU 10 HA LEU 10 7.054 2.891 1.667 107 1HB LEU 10 2HB LEU 10 6.193 0.595 1.924 108 2HB LEU 10 1HB LEU 10 6.993 0.135 0.433 109 HG LEU 10 HG LEU 10 9.183 0.653 1.496 110 1HD1 LEU 10 1HD1 LEU 10 8.299 2.251 3.171 111 2HD1 LEU 10 2HD1 LEU 10 9.330 1.003 3.870 112 3HD1 LEU 10 3HD1 LEU 10 7.577 0.894 4.035 113 1HD2 LEU 10 1HD2 LEU 10 8.199 -1.258 3.422 114 2HD2 LEU 10 2HD2 LEU 10 9.288 -1.496 2.055 115 3HD2 LEU 10 3HD2 LEU 10 7.542 -1.571 1.815 116 H GLY 11 H GLY 11 9.093 3.565 1.304 117 1HA GLY 11 2HA GLY 11 10.827 2.676 -0.689 118 2HA GLY 11 1HA GLY 11 9.972 4.067 -1.340 Start of MODEL 9 1 1H ARG 1 1HT ARG 1 -7.040 0.596 7.225 2 2H ARG 1 2HT ARG 1 -6.527 -1.010 7.088 3 3H ARG 1 3HT ARG 1 -7.959 -0.514 6.338 4 HA ARG 1 HA ARG 1 -5.411 0.771 5.634 5 1HB ARG 1 2HB ARG 1 -6.501 -1.783 4.433 6 2HB ARG 1 1HB ARG 1 -5.083 -0.907 3.880 7 1HG ARG 1 2HG ARG 1 -5.368 -2.209 6.581 8 2HG ARG 1 1HG ARG 1 -4.527 -2.907 5.197 9 1HD ARG 1 2HD ARG 1 -2.858 -1.944 6.562 10 2HD ARG 1 1HD ARG 1 -3.070 -0.844 5.202 11 HE ARG 1 HE ARG 1 -4.725 -0.016 7.312 12 1HH1 ARG 1 1HH1 ARG 1 -1.343 -0.217 6.485 13 2HH1 ARG 1 2HH1 ARG 1 -0.892 1.127 7.480 14 1HH2 ARG 1 1HH2 ARG 1 -4.136 1.750 8.621 15 2HH2 ARG 1 2HH2 ARG 1 -2.476 2.241 8.696 16 H ARG 2 H ARG 2 -5.669 2.166 3.972 17 HA ARG 2 HA ARG 2 -8.228 3.036 3.233 18 1HB ARG 2 2HB ARG 2 -7.068 4.404 1.530 19 2HB ARG 2 1HB ARG 2 -6.318 4.523 3.116 20 1HG ARG 2 2HG ARG 2 -4.537 3.059 2.446 21 2HG ARG 2 1HG ARG 2 -5.326 2.747 0.898 22 1HD ARG 2 2HD ARG 2 -4.318 5.429 1.842 23 2HD ARG 2 1HD ARG 2 -3.490 4.372 0.699 24 HE ARG 2 HE ARG 2 -6.063 4.842 -0.272 25 1HH1 ARG 2 1HH1 ARG 2 -3.126 6.613 0.350 26 2HH1 ARG 2 2HH1 ARG 2 -3.409 7.774 -0.904 27 1HH2 ARG 2 1HH2 ARG 2 -6.442 6.362 -1.923 28 2HH2 ARG 2 2HH2 ARG 2 -5.293 7.629 -2.200 29 H TRP 3 H TRP 3 -6.107 0.652 1.851 30 HA TRP 3 HA TRP 3 -8.227 -0.295 0.145 31 1HB TRP 3 2HB TRP 3 -6.817 -0.233 -1.929 32 2HB TRP 3 1HB TRP 3 -7.327 1.348 -1.359 33 HD1 TRP 3 HD TRP 3 -4.508 0.284 0.747 34 HE1 TRP 3 1HE TRP 3 -2.310 1.325 -0.084 35 HE3 TRP 3 3HE TRP 3 -6.064 1.917 -3.841 36 HZ2 TRP 3 2HZ TRP 3 -1.368 2.636 -2.378 37 HZ3 TRP 3 3HZ TRP 3 -4.438 3.049 -5.298 38 HH2 TRP 3 HH TRP 3 -2.133 3.406 -4.578 39 H GLN 4 H GLN 4 -5.730 -1.482 -1.438 40 HA GLN 4 HA GLN 4 -4.840 -3.420 0.545 41 1HB GLN 4 2HB GLN 4 -5.437 -5.314 -0.964 42 2HB GLN 4 1HB GLN 4 -6.830 -4.473 -0.298 43 1HG GLN 4 2HG GLN 4 -7.086 -3.247 -2.399 44 2HG GLN 4 1HG GLN 4 -5.704 -4.113 -3.065 45 1HE2 GLN 4 1HE2 GLN 4 -7.223 -6.257 -1.112 46 2HE2 GLN 4 2HE2 GLN 4 -8.260 -7.020 -2.261 47 H TRP 5 H TRP 5 -3.196 -1.591 -0.345 48 HA TRP 5 HA TRP 5 -1.868 -2.003 -2.777 49 1HB TRP 5 2HB TRP 5 -0.023 -0.713 -1.750 50 2HB TRP 5 1HB TRP 5 -1.590 0.041 -1.489 51 HD1 TRP 5 HD TRP 5 -2.673 -1.107 1.080 52 HE1 TRP 5 1HE TRP 5 -1.445 -0.921 3.333 53 HE3 TRP 5 3HE TRP 5 2.073 -0.296 -0.644 54 HZ2 TRP 5 2HZ TRP 5 1.183 -0.484 4.257 55 HZ3 TRP 5 3HZ TRP 5 3.886 -0.003 0.994 56 HH2 TRP 5 HH TRP 5 3.448 -0.094 3.393 57 H ARG 6 H ARG 6 0.881 -2.150 -1.644 58 HA ARG 6 HA ARG 6 1.094 -4.854 -0.608 59 1HB ARG 6 2HB ARG 6 2.140 -4.068 -3.330 60 2HB ARG 6 1HB ARG 6 2.698 -5.487 -2.456 61 1HG ARG 6 2HG ARG 6 -0.170 -5.005 -3.230 62 2HG ARG 6 1HG ARG 6 0.974 -5.953 -4.183 63 1HD ARG 6 2HD ARG 6 0.135 -6.525 -1.342 64 2HD ARG 6 1HD ARG 6 -0.429 -7.382 -2.776 65 HE ARG 6 HE ARG 6 2.366 -7.500 -2.721 66 1HH1 ARG 6 1HH1 ARG 6 -0.372 -8.695 -0.928 67 2HH1 ARG 6 2HH1 ARG 6 0.441 -10.126 -0.391 68 1HH2 ARG 6 1HH2 ARG 6 3.445 -9.381 -2.019 69 2HH2 ARG 6 2HH2 ARG 6 2.612 -10.516 -1.011 70 H MET 7 H MET 7 3.115 -2.392 -2.230 71 HA MET 7 HA MET 7 4.513 -1.642 0.086 72 1HB MET 7 2HB MET 7 6.705 -2.675 -0.394 73 2HB MET 7 1HB MET 7 5.477 -3.864 0.014 74 1HG MET 7 2HG MET 7 5.187 -4.357 -2.372 75 2HG MET 7 1HG MET 7 6.457 -3.195 -2.753 76 1HE MET 7 1HE MET 7 8.412 -3.244 -0.935 77 2HE MET 7 2HE MET 7 9.459 -4.130 -2.044 78 3HE MET 7 3HE MET 7 9.214 -4.722 -0.402 79 H LYS 8 H LYS 8 3.306 -0.521 -2.301 80 HA LYS 8 HA LYS 8 5.496 0.538 -3.878 81 1HB LYS 8 2HB LYS 8 3.750 1.747 -5.108 82 2HB LYS 8 1HB LYS 8 3.372 0.035 -4.983 83 1HG LYS 8 2HG LYS 8 1.777 0.477 -3.223 84 2HG LYS 8 1HG LYS 8 2.209 2.187 -3.227 85 1HD LYS 8 2HD LYS 8 0.992 0.681 -5.543 86 2HD LYS 8 1HD LYS 8 0.119 1.755 -4.448 87 1HE LYS 8 2HE LYS 8 2.389 2.537 -6.277 88 2HE LYS 8 1HE LYS 8 0.681 2.898 -6.528 89 1HZ LYS 8 1HZ LYS 8 1.627 4.824 -5.606 90 2HZ LYS 8 2HZ LYS 8 2.479 3.961 -4.427 91 3HZ LYS 8 3HZ LYS 8 0.795 4.095 -4.325 92 H LYS 9 H LYS 9 3.240 1.615 -1.408 93 HA LYS 9 HA LYS 9 3.804 4.345 -1.410 94 1HB LYS 9 2HB LYS 9 3.090 2.596 0.952 95 2HB LYS 9 1HB LYS 9 2.942 4.348 0.888 96 1HG LYS 9 2HG LYS 9 1.256 4.183 -0.833 97 2HG LYS 9 1HG LYS 9 1.454 2.430 -0.895 98 1HD LYS 9 2HD LYS 9 -0.513 2.984 0.400 99 2HD LYS 9 1HD LYS 9 0.721 2.298 1.460 100 1HE LYS 9 2HE LYS 9 -0.354 4.221 2.500 101 2HE LYS 9 1HE LYS 9 1.351 4.545 2.186 102 1HZ LYS 9 1HZ LYS 9 0.397 6.452 1.409 103 2HZ LYS 9 2HZ LYS 9 -1.025 5.690 0.902 104 3HZ LYS 9 3HZ LYS 9 0.387 5.538 -0.015 105 H LEU 10 H LEU 10 5.421 1.665 0.210 106 HA LEU 10 HA LEU 10 7.172 3.130 1.823 107 1HB LEU 10 2HB LEU 10 6.847 0.732 2.081 108 2HB LEU 10 1HB LEU 10 7.563 0.441 0.508 109 HG LEU 10 HG LEU 10 9.721 1.309 1.352 110 1HD1 LEU 10 1HD1 LEU 10 9.780 2.536 3.193 111 2HD1 LEU 10 2HD1 LEU 10 9.329 1.112 4.130 112 3HD1 LEU 10 3HD1 LEU 10 8.080 2.193 3.513 113 1HD2 LEU 10 1HD2 LEU 10 9.110 -0.737 3.358 114 2HD2 LEU 10 2HD2 LEU 10 10.305 -0.737 2.061 115 3HD2 LEU 10 3HD2 LEU 10 8.626 -1.154 1.715 116 H GLY 11 H GLY 11 7.565 1.954 -1.506 117 1HA GLY 11 2HA GLY 11 10.212 2.854 -1.865 118 2HA GLY 11 1HA GLY 11 9.060 2.529 -3.152 Start of MODEL 10 1 1H ARG 1 1HT ARG 1 -5.389 3.942 6.165 2 2H ARG 1 2HT ARG 1 -4.456 2.646 6.720 3 3H ARG 1 3HT ARG 1 -6.144 2.532 6.720 4 HA ARG 1 HA ARG 1 -4.588 2.920 4.237 5 1HB ARG 1 2HB ARG 1 -5.490 0.329 5.514 6 2HB ARG 1 1HB ARG 1 -4.774 0.478 3.916 7 1HG ARG 1 2HG ARG 1 -2.697 1.255 4.891 8 2HG ARG 1 1HG ARG 1 -3.413 1.195 6.503 9 1HD ARG 1 2HD ARG 1 -3.003 -1.154 4.654 10 2HD ARG 1 1HD ARG 1 -2.023 -0.770 6.070 11 HE ARG 1 HE ARG 1 -4.680 -0.977 6.896 12 1HH1 ARG 1 1HH1 ARG 1 -2.168 -3.005 5.584 13 2HH1 ARG 1 2HH1 ARG 1 -2.752 -4.444 6.350 14 1HH2 ARG 1 1HH2 ARG 1 -5.456 -2.864 7.909 15 2HH2 ARG 1 2HH2 ARG 1 -4.623 -4.364 7.672 16 H ARG 2 H ARG 2 -5.911 3.337 2.576 17 HA ARG 2 HA ARG 2 -8.774 2.830 2.941 18 1HB ARG 2 2HB ARG 2 -8.969 4.504 0.996 19 2HB ARG 2 1HB ARG 2 -8.563 5.112 2.593 20 1HG ARG 2 2HG ARG 2 -7.229 6.169 0.847 21 2HG ARG 2 1HG ARG 2 -6.224 5.258 1.975 22 1HD ARG 2 2HD ARG 2 -6.046 3.435 0.402 23 2HD ARG 2 1HD ARG 2 -7.160 4.238 -0.702 24 HE ARG 2 HE ARG 2 -5.369 5.332 -1.527 25 1HH1 ARG 2 1HH1 ARG 2 -4.677 4.560 1.797 26 2HH1 ARG 2 2HH1 ARG 2 -3.100 5.276 1.769 27 1HH2 ARG 2 1HH2 ARG 2 -3.294 6.275 -1.576 28 2HH2 ARG 2 2HH2 ARG 2 -2.314 6.252 -0.147 29 H TRP 3 H TRP 3 -6.890 0.802 2.084 30 HA TRP 3 HA TRP 3 -8.381 -0.352 0.011 31 1HB TRP 3 2HB TRP 3 -6.628 -0.356 -1.784 32 2HB TRP 3 1HB TRP 3 -7.360 1.215 -1.495 33 HD1 TRP 3 HD TRP 3 -4.892 0.650 1.172 34 HE1 TRP 3 1HE TRP 3 -2.669 1.817 0.613 35 HE3 TRP 3 3HE TRP 3 -5.728 1.668 -3.767 36 HZ2 TRP 3 2HZ TRP 3 -1.442 2.991 -1.620 37 HZ3 TRP 3 3HZ TRP 3 -3.967 2.816 -5.046 38 HH2 TRP 3 HH TRP 3 -1.863 3.467 -3.992 39 H GLN 4 H GLN 4 -5.780 -1.598 -1.092 40 HA GLN 4 HA GLN 4 -4.874 -3.124 1.217 41 1HB GLN 4 2HB GLN 4 -6.092 -4.453 -1.211 42 2HB GLN 4 1HB GLN 4 -5.366 -5.274 0.165 43 1HG GLN 4 2HG GLN 4 -7.097 -4.339 1.618 44 2HG GLN 4 1HG GLN 4 -7.834 -3.559 0.223 45 1HE2 GLN 4 1HE2 GLN 4 -8.113 -6.103 2.214 46 2HE2 GLN 4 2HE2 GLN 4 -8.907 -7.230 1.173 47 H TRP 5 H TRP 5 -3.184 -1.496 0.223 48 HA TRP 5 HA TRP 5 -1.808 -2.188 -2.132 49 1HB TRP 5 2HB TRP 5 0.006 -0.753 -1.231 50 2HB TRP 5 1HB TRP 5 -1.577 0.012 -1.147 51 HD1 TRP 5 HD TRP 5 -2.795 -0.435 1.460 52 HE1 TRP 5 1HE TRP 5 -1.649 -0.024 3.730 53 HE3 TRP 5 3HE TRP 5 2.093 -0.613 -0.042 54 HZ2 TRP 5 2HZ TRP 5 0.973 0.199 4.747 55 HZ3 TRP 5 3HZ TRP 5 3.857 -0.288 1.642 56 HH2 TRP 5 HH TRP 5 3.306 0.111 3.987 57 H ARG 6 H ARG 6 0.908 -2.127 -0.717 58 HA ARG 6 HA ARG 6 1.145 -4.566 0.719 59 1HB ARG 6 2HB ARG 6 2.444 -5.806 -1.024 60 2HB ARG 6 1HB ARG 6 0.731 -5.639 -1.379 61 1HG ARG 6 2HG ARG 6 1.209 -3.828 -2.927 62 2HG ARG 6 1HG ARG 6 2.928 -3.943 -2.548 63 1HD ARG 6 2HD ARG 6 1.250 -6.131 -3.772 64 2HD ARG 6 1HD ARG 6 2.360 -5.082 -4.652 65 HE ARG 6 HE ARG 6 3.773 -6.325 -2.582 66 1HH1 ARG 6 1HH1 ARG 6 2.175 -7.146 -5.567 67 2HH1 ARG 6 2HH1 ARG 6 3.203 -8.501 -5.894 68 1HH2 ARG 6 1HH2 ARG 6 5.133 -8.108 -3.007 69 2HH2 ARG 6 2HH2 ARG 6 4.885 -9.046 -4.441 70 H MET 7 H MET 7 2.936 -2.482 -1.559 71 HA MET 7 HA MET 7 4.706 -1.525 0.418 72 1HB MET 7 2HB MET 7 6.787 -2.612 -0.326 73 2HB MET 7 1HB MET 7 5.646 -3.768 0.350 74 1HG MET 7 2HG MET 7 4.998 -4.449 -1.902 75 2HG MET 7 1HG MET 7 6.134 -3.286 -2.582 76 1HE MET 7 1HE MET 7 8.366 -3.111 -1.265 77 2HE MET 7 2HE MET 7 9.319 -4.181 -2.293 78 3HE MET 7 3HE MET 7 9.237 -4.470 -0.554 79 H LYS 8 H LYS 8 3.098 -0.554 -1.751 80 HA LYS 8 HA LYS 8 4.899 0.302 -3.839 81 1HB LYS 8 2HB LYS 8 2.542 -0.148 -4.351 82 2HB LYS 8 1HB LYS 8 2.048 1.108 -3.225 83 1HG LYS 8 2HG LYS 8 3.120 2.796 -4.613 84 2HG LYS 8 1HG LYS 8 3.655 1.541 -5.734 85 1HD LYS 8 2HD LYS 8 1.318 0.966 -6.197 86 2HD LYS 8 1HD LYS 8 0.788 2.224 -5.079 87 1HE LYS 8 2HE LYS 8 0.659 3.001 -7.382 88 2HE LYS 8 1HE LYS 8 1.863 3.918 -6.477 89 1HZ LYS 8 1HZ LYS 8 2.486 1.638 -8.276 90 2HZ LYS 8 2HZ LYS 8 3.604 2.631 -7.485 91 3HZ LYS 8 3HZ LYS 8 2.623 3.269 -8.708 92 H LYS 9 H LYS 9 3.369 1.629 -0.976 93 HA LYS 9 HA LYS 9 4.104 4.322 -1.323 94 1HB LYS 9 2HB LYS 9 3.752 2.869 1.302 95 2HB LYS 9 1HB LYS 9 3.586 4.596 1.018 96 1HG LYS 9 2HG LYS 9 1.635 4.177 -0.395 97 2HG LYS 9 1HG LYS 9 1.801 2.445 -0.099 98 1HD LYS 9 2HD LYS 9 1.512 2.873 2.322 99 2HD LYS 9 1HD LYS 9 1.239 4.579 1.958 100 1HE LYS 9 2HE LYS 9 -0.430 2.260 0.995 101 2HE LYS 9 1HE LYS 9 -0.873 3.407 2.259 102 1HZ LYS 9 1HZ LYS 9 -0.455 4.019 -0.616 103 2HZ LYS 9 2HZ LYS 9 -0.748 5.182 0.576 104 3HZ LYS 9 3HZ LYS 9 -1.930 4.026 0.214 105 H LEU 10 H LEU 10 5.677 1.659 0.394 106 HA LEU 10 HA LEU 10 7.852 3.104 1.424 107 1HB LEU 10 2HB LEU 10 7.989 0.222 0.571 108 2HB LEU 10 1HB LEU 10 8.858 1.008 1.877 109 HG LEU 10 HG LEU 10 5.908 0.387 1.812 110 1HD1 LEU 10 1HD1 LEU 10 7.867 -1.366 2.282 111 2HD1 LEU 10 2HD1 LEU 10 6.315 -1.414 3.117 112 3HD1 LEU 10 3HD1 LEU 10 7.713 -0.674 3.896 113 1HD2 LEU 10 1HD2 LEU 10 7.456 2.248 3.429 114 2HD2 LEU 10 2HD2 LEU 10 6.579 1.062 4.395 115 3HD2 LEU 10 3HD2 LEU 10 5.710 2.084 3.249 116 H GLY 11 H GLY 11 7.518 1.214 -1.557 117 1HA GLY 11 2HA GLY 11 10.132 1.583 -2.509 118 2HA GLY 11 1HA GLY 11 8.731 1.194 -3.494 Start of MODEL 11 1 1H ARG 1 1HT ARG 1 -7.627 -0.582 5.539 2 2H ARG 1 2HT ARG 1 -9.064 0.287 5.734 3 3H ARG 1 3HT ARG 1 -8.115 -0.088 7.082 4 HA ARG 1 HA ARG 1 -7.586 2.100 6.737 5 1HB ARG 1 2HB ARG 1 -5.588 0.552 5.063 6 2HB ARG 1 1HB ARG 1 -5.294 2.085 5.869 7 1HG ARG 1 2HG ARG 1 -4.280 0.472 7.216 8 2HG ARG 1 1HG ARG 1 -5.781 0.889 8.042 9 1HD ARG 1 2HD ARG 1 -6.842 -1.114 7.116 10 2HD ARG 1 1HD ARG 1 -5.342 -1.526 6.287 11 HE ARG 1 HE ARG 1 -5.982 -2.124 8.957 12 1HH1 ARG 1 1HH1 ARG 1 -3.316 -0.979 7.022 13 2HH1 ARG 1 2HH1 ARG 1 -2.106 -1.589 8.101 14 1HH2 ARG 1 1HH2 ARG 1 -4.397 -2.927 10.379 15 2HH2 ARG 1 2HH2 ARG 1 -2.721 -2.697 10.008 16 H ARG 2 H ARG 2 -5.851 2.566 4.137 17 HA ARG 2 HA ARG 2 -7.890 4.005 2.751 18 1HB ARG 2 2HB ARG 2 -5.439 4.660 2.996 19 2HB ARG 2 1HB ARG 2 -5.088 3.449 1.775 20 1HG ARG 2 2HG ARG 2 -6.997 5.724 1.313 21 2HG ARG 2 1HG ARG 2 -5.271 5.831 0.974 22 1HD ARG 2 2HD ARG 2 -5.472 3.928 -0.569 23 2HD ARG 2 1HD ARG 2 -7.203 3.858 -0.242 24 HE ARG 2 HE ARG 2 -5.931 5.548 -2.092 25 1HH1 ARG 2 1HH1 ARG 2 -8.433 5.629 0.337 26 2HH1 ARG 2 2HH1 ARG 2 -9.309 6.914 -0.428 27 1HH2 ARG 2 1HH2 ARG 2 -7.078 7.237 -3.100 28 2HH2 ARG 2 2HH2 ARG 2 -8.539 7.826 -2.380 29 H TRP 3 H TRP 3 -6.022 1.068 2.123 30 HA TRP 3 HA TRP 3 -8.087 -0.027 0.492 31 1HB TRP 3 2HB TRP 3 -6.683 -0.221 -1.589 32 2HB TRP 3 1HB TRP 3 -7.230 1.409 -1.226 33 HD1 TRP 3 HD TRP 3 -4.404 0.729 1.009 34 HE1 TRP 3 1HE TRP 3 -2.223 1.690 0.044 35 HE3 TRP 3 3HE TRP 3 -5.959 1.629 -3.777 36 HZ2 TRP 3 2HZ TRP 3 -1.293 2.674 -2.413 37 HZ3 TRP 3 3HZ TRP 3 -4.349 2.578 -5.377 38 HH2 TRP 3 HH TRP 3 -2.059 3.095 -4.706 39 H GLN 4 H GLN 4 -5.815 -1.489 -1.038 40 HA GLN 4 HA GLN 4 -4.857 -3.185 1.155 41 1HB GLN 4 2HB GLN 4 -6.113 -4.205 -1.400 42 2HB GLN 4 1HB GLN 4 -5.431 -5.196 -0.116 43 1HG GLN 4 2HG GLN 4 -7.128 -4.386 1.426 44 2HG GLN 4 1HG GLN 4 -7.802 -3.366 0.159 45 1HE2 GLN 4 1HE2 GLN 4 -8.207 -6.182 1.752 46 2HE2 GLN 4 2HE2 GLN 4 -9.090 -7.076 0.567 47 H TRP 5 H TRP 5 -3.183 -1.421 0.199 48 HA TRP 5 HA TRP 5 -1.764 -2.047 -2.151 49 1HB TRP 5 2HB TRP 5 -0.023 -0.575 -1.233 50 2HB TRP 5 1HB TRP 5 -1.622 0.131 -1.023 51 HD1 TRP 5 HD TRP 5 -2.706 -0.461 1.589 52 HE1 TRP 5 1HE TRP 5 -1.467 -0.231 3.835 53 HE3 TRP 5 3HE TRP 5 2.110 -0.551 -0.125 54 HZ2 TRP 5 2HZ TRP 5 1.201 -0.104 4.754 55 HZ3 TRP 5 3HZ TRP 5 3.946 -0.369 1.502 56 HH2 TRP 5 HH TRP 5 3.499 -0.148 3.890 57 H ARG 6 H ARG 6 0.928 -1.998 -0.820 58 HA ARG 6 HA ARG 6 1.255 -4.347 0.712 59 1HB ARG 6 2HB ARG 6 2.467 -5.699 -1.003 60 2HB ARG 6 1HB ARG 6 0.736 -5.572 -1.274 61 1HG ARG 6 2HG ARG 6 1.103 -3.910 -2.998 62 2HG ARG 6 1HG ARG 6 2.841 -3.946 -2.688 63 1HD ARG 6 2HD ARG 6 2.908 -6.301 -3.342 64 2HD ARG 6 1HD ARG 6 1.172 -6.271 -3.644 65 HE ARG 6 HE ARG 6 2.337 -4.261 -5.184 66 1HH1 ARG 6 1HH1 ARG 6 2.368 -7.740 -4.955 67 2HH1 ARG 6 2HH1 ARG 6 2.678 -7.976 -6.643 68 1HH2 ARG 6 1HH2 ARG 6 2.744 -4.564 -7.408 69 2HH2 ARG 6 2HH2 ARG 6 2.893 -6.171 -8.037 70 H MET 7 H MET 7 2.876 -2.376 -1.774 71 HA MET 7 HA MET 7 4.740 -1.282 0.027 72 1HB MET 7 2HB MET 7 6.795 -2.403 -0.721 73 2HB MET 7 1HB MET 7 5.693 -3.527 0.061 74 1HG MET 7 2HG MET 7 4.985 -4.376 -2.094 75 2HG MET 7 1HG MET 7 6.022 -3.210 -2.914 76 1HE MET 7 1HE MET 7 7.978 -5.656 -4.130 77 2HE MET 7 2HE MET 7 6.229 -5.446 -4.041 78 3HE MET 7 3HE MET 7 6.980 -6.888 -3.358 79 H LYS 8 H LYS 8 3.073 -0.285 -1.998 80 HA LYS 8 HA LYS 8 4.803 0.346 -4.253 81 1HB LYS 8 2HB LYS 8 1.937 1.100 -3.665 82 2HB LYS 8 1HB LYS 8 2.805 1.558 -5.124 83 1HG LYS 8 2HG LYS 8 2.212 -1.261 -4.244 84 2HG LYS 8 1HG LYS 8 1.356 -0.366 -5.500 85 1HD LYS 8 2HD LYS 8 4.291 -1.075 -5.545 86 2HD LYS 8 1HD LYS 8 3.022 -1.919 -6.434 87 1HE LYS 8 2HE LYS 8 2.522 0.123 -7.675 88 2HE LYS 8 1HE LYS 8 3.764 0.987 -6.770 89 1HZ LYS 8 1HZ LYS 8 5.455 -0.286 -7.770 90 2HZ LYS 8 2HZ LYS 8 4.425 0.161 -9.034 91 3HZ LYS 8 3HZ LYS 8 4.361 -1.409 -8.408 92 H LYS 9 H LYS 9 3.090 2.044 -1.651 93 HA LYS 9 HA LYS 9 4.111 4.608 -2.326 94 1HB LYS 9 2HB LYS 9 3.243 5.336 -0.169 95 2HB LYS 9 1HB LYS 9 2.065 4.332 -1.000 96 1HG LYS 9 2HG LYS 9 2.620 2.449 0.408 97 2HG LYS 9 1HG LYS 9 3.896 3.384 1.194 98 1HD LYS 9 2HD LYS 9 2.191 4.986 1.984 99 2HD LYS 9 1HD LYS 9 0.938 3.975 1.261 100 1HE LYS 9 2HE LYS 9 1.147 3.557 3.659 101 2HE LYS 9 1HE LYS 9 1.569 2.128 2.717 102 1HZ LYS 9 1HZ LYS 9 3.104 3.392 4.649 103 2HZ LYS 9 2HZ LYS 9 3.875 3.695 3.174 104 3HZ LYS 9 3HZ LYS 9 3.564 2.103 3.652 105 H LEU 10 H LEU 10 5.193 2.049 -0.177 106 HA LEU 10 HA LEU 10 7.125 3.403 1.285 107 1HB LEU 10 2HB LEU 10 6.448 1.117 1.780 108 2HB LEU 10 1HB LEU 10 7.158 0.557 0.278 109 HG LEU 10 HG LEU 10 9.395 1.201 1.120 110 1HD1 LEU 10 1HD1 LEU 10 9.084 1.385 3.846 111 2HD1 LEU 10 2HD1 LEU 10 7.783 2.399 3.222 112 3HD1 LEU 10 3HD1 LEU 10 9.452 2.717 2.751 113 1HD2 LEU 10 1HD2 LEU 10 9.125 -0.491 3.222 114 2HD2 LEU 10 2HD2 LEU 10 9.254 -1.000 1.538 115 3HD2 LEU 10 3HD2 LEU 10 7.669 -0.859 2.297 116 H GLY 11 H GLY 11 9.107 4.176 0.879 117 1HA GLY 11 2HA GLY 11 10.888 3.235 -1.073 118 2HA GLY 11 1HA GLY 11 9.992 4.582 -1.761 Start of MODEL 12 1 1H ARG 1 1HT ARG 1 -6.341 1.525 8.184 2 2H ARG 1 2HT ARG 1 -7.295 0.355 7.422 3 3H ARG 1 3HT ARG 1 -7.613 1.996 7.173 4 HA ARG 1 HA ARG 1 -5.041 1.835 6.424 5 1HB ARG 1 2HB ARG 1 -6.467 -0.694 5.572 6 2HB ARG 1 1HB ARG 1 -4.912 -0.154 4.956 7 1HG ARG 1 2HG ARG 1 -3.968 -0.338 7.212 8 2HG ARG 1 1HG ARG 1 -5.526 -0.919 7.802 9 1HD ARG 1 2HD ARG 1 -5.378 -2.826 6.258 10 2HD ARG 1 1HD ARG 1 -3.803 -2.250 5.714 11 HE ARG 1 HE ARG 1 -4.303 -3.811 7.998 12 1HH1 ARG 1 1HH1 ARG 1 -2.390 -1.082 6.969 13 2HH1 ARG 1 2HH1 ARG 1 -1.144 -1.353 8.142 14 1HH2 ARG 1 1HH2 ARG 1 -2.665 -4.172 9.538 15 2HH2 ARG 1 2HH2 ARG 1 -1.299 -3.108 9.599 16 H ARG 2 H ARG 2 -4.823 2.819 4.467 17 HA ARG 2 HA ARG 2 -6.954 4.178 3.335 18 1HB ARG 2 2HB ARG 2 -4.646 4.866 2.999 19 2HB ARG 2 1HB ARG 2 -4.314 3.403 2.080 20 1HG ARG 2 2HG ARG 2 -5.916 4.143 0.365 21 2HG ARG 2 1HG ARG 2 -6.171 5.633 1.276 22 1HD ARG 2 2HD ARG 2 -3.832 6.226 1.009 23 2HD ARG 2 1HD ARG 2 -3.521 4.704 0.175 24 HE ARG 2 HE ARG 2 -5.543 6.053 -1.202 25 1HH1 ARG 2 1HH1 ARG 2 -2.154 6.413 -0.473 26 2HH1 ARG 2 2HH1 ARG 2 -1.801 7.282 -1.930 27 1HH2 ARG 2 1HH2 ARG 2 -5.086 7.195 -3.124 28 2HH2 ARG 2 2HH2 ARG 2 -3.468 7.727 -3.436 29 H TRP 3 H TRP 3 -5.537 1.081 2.421 30 HA TRP 3 HA TRP 3 -7.936 0.162 1.232 31 1HB TRP 3 2HB TRP 3 -7.040 -0.082 -1.106 32 2HB TRP 3 1HB TRP 3 -7.391 1.572 -0.628 33 HD1 TRP 3 HD TRP 3 -4.210 0.833 0.962 34 HE1 TRP 3 1HE TRP 3 -2.233 1.619 -0.482 35 HE3 TRP 3 3HE TRP 3 -6.672 1.562 -3.456 36 HZ2 TRP 3 2HZ TRP 3 -1.785 2.421 -3.135 37 HZ3 TRP 3 3HZ TRP 3 -5.387 2.335 -5.405 38 HH2 TRP 3 HH TRP 3 -2.988 2.759 -5.247 39 H GLN 4 H GLN 4 -6.038 -1.362 -0.756 40 HA GLN 4 HA GLN 4 -4.853 -3.189 1.213 41 1HB GLN 4 2HB GLN 4 -6.499 -4.020 -1.186 42 2HB GLN 4 1HB GLN 4 -5.668 -5.111 -0.086 43 1HG GLN 4 2HG GLN 4 -7.081 -4.320 1.750 44 2HG GLN 4 1HG GLN 4 -7.925 -3.255 0.631 45 1HE2 GLN 4 1HE2 GLN 4 -7.158 -5.959 -1.076 46 2HE2 GLN 4 2HE2 GLN 4 -8.614 -6.860 -0.855 47 H TRP 5 H TRP 5 -3.226 -1.463 0.146 48 HA TRP 5 HA TRP 5 -2.170 -2.022 -2.403 49 1HB TRP 5 2HB TRP 5 -0.209 -0.713 -1.633 50 2HB TRP 5 1HB TRP 5 -1.735 0.092 -1.294 51 HD1 TRP 5 HD TRP 5 -2.634 -0.508 1.410 52 HE1 TRP 5 1HE TRP 5 -1.200 -0.321 3.538 53 HE3 TRP 5 3HE TRP 5 2.008 -0.732 -0.714 54 HZ2 TRP 5 2HZ TRP 5 1.538 -0.269 4.226 55 HZ3 TRP 5 3HZ TRP 5 3.983 -0.602 0.744 56 HH2 TRP 5 HH TRP 5 3.753 -0.375 3.164 57 H ARG 6 H ARG 6 0.689 -2.157 -1.325 58 HA ARG 6 HA ARG 6 0.920 -4.762 -0.161 59 1HB ARG 6 2HB ARG 6 2.246 -5.628 -2.189 60 2HB ARG 6 1HB ARG 6 0.490 -5.644 -2.278 61 1HG ARG 6 2HG ARG 6 0.534 -3.583 -3.588 62 2HG ARG 6 1HG ARG 6 2.297 -3.566 -3.497 63 1HD ARG 6 2HD ARG 6 0.620 -5.735 -4.753 64 2HD ARG 6 1HD ARG 6 1.493 -4.478 -5.628 65 HE ARG 6 HE ARG 6 2.572 -6.887 -4.614 66 1HH1 ARG 6 1HH1 ARG 6 3.335 -3.519 -5.071 67 2HH1 ARG 6 2HH1 ARG 6 5.045 -3.785 -5.147 68 1HH2 ARG 6 1HH2 ARG 6 4.823 -7.245 -4.716 69 2HH2 ARG 6 2HH2 ARG 6 5.890 -5.900 -4.947 70 H MET 7 H MET 7 2.913 -2.792 -2.397 71 HA MET 7 HA MET 7 4.690 -2.023 -0.262 72 1HB MET 7 2HB MET 7 5.655 -3.883 -2.444 73 2HB MET 7 1HB MET 7 6.718 -2.979 -1.378 74 1HG MET 7 2HG MET 7 5.813 -4.168 0.546 75 2HG MET 7 1HG MET 7 4.730 -5.065 -0.514 76 1HE MET 7 1HE MET 7 7.526 -7.509 0.880 77 2HE MET 7 2HE MET 7 5.860 -7.657 0.316 78 3HE MET 7 3HE MET 7 6.286 -6.414 1.492 79 H LYS 8 H LYS 8 2.998 -0.839 -2.412 80 HA LYS 8 HA LYS 8 4.955 0.440 -4.147 81 1HB LYS 8 2HB LYS 8 1.950 0.748 -4.012 82 2HB LYS 8 1HB LYS 8 2.994 1.480 -5.223 83 1HG LYS 8 2HG LYS 8 3.658 -0.749 -5.989 84 2HG LYS 8 1HG LYS 8 2.587 -1.471 -4.790 85 1HD LYS 8 2HD LYS 8 1.418 -1.493 -6.857 86 2HD LYS 8 1HD LYS 8 0.695 -0.219 -5.877 87 1HE LYS 8 2HE LYS 8 2.791 0.235 -7.998 88 2HE LYS 8 1HE LYS 8 1.057 0.412 -8.258 89 1HZ LYS 8 1HZ LYS 8 2.907 2.135 -6.802 90 2HZ LYS 8 2HZ LYS 8 1.352 1.979 -6.158 91 3HZ LYS 8 3HZ LYS 8 1.557 2.543 -7.739 92 H LYS 9 H LYS 9 2.645 1.299 -1.609 93 HA LYS 9 HA LYS 9 3.069 4.068 -1.622 94 1HB LYS 9 2HB LYS 9 2.259 2.238 0.643 95 2HB LYS 9 1HB LYS 9 2.195 3.992 0.719 96 1HG LYS 9 2HG LYS 9 0.581 4.029 -1.101 97 2HG LYS 9 1HG LYS 9 0.664 2.271 -1.223 98 1HD LYS 9 2HD LYS 9 -1.309 2.955 0.032 99 2HD LYS 9 1HD LYS 9 -0.184 2.079 1.070 100 1HE LYS 9 2HE LYS 9 -1.102 4.029 2.215 101 2HE LYS 9 1HE LYS 9 0.637 4.194 1.974 102 1HZ LYS 9 1HZ LYS 9 0.067 5.528 -0.059 103 2HZ LYS 9 2HZ LYS 9 -0.326 6.257 1.417 104 3HZ LYS 9 3HZ LYS 9 -1.537 5.541 0.479 105 H LEU 10 H LEU 10 4.749 1.471 0.071 106 HA LEU 10 HA LEU 10 6.328 2.982 1.791 107 1HB LEU 10 2HB LEU 10 6.154 0.533 1.874 108 2HB LEU 10 1HB LEU 10 7.049 0.417 0.370 109 HG LEU 10 HG LEU 10 9.017 1.423 1.491 110 1HD1 LEU 10 1HD1 LEU 10 7.842 2.682 3.219 111 2HD1 LEU 10 2HD1 LEU 10 9.047 1.604 3.923 112 3HD1 LEU 10 3HD1 LEU 10 7.338 1.175 3.983 113 1HD2 LEU 10 1HD2 LEU 10 8.409 -1.100 1.401 114 2HD2 LEU 10 2HD2 LEU 10 8.153 -0.918 3.136 115 3HD2 LEU 10 3HD2 LEU 10 9.732 -0.560 2.435 116 H GLY 11 H GLY 11 8.074 4.244 1.555 117 1HA GLY 11 2HA GLY 11 10.026 4.021 -0.441 118 2HA GLY 11 1HA GLY 11 8.841 5.201 -0.980 Start of MODEL 13 1 1H ARG 1 1HT ARG 1 -3.022 4.361 5.994 2 2H ARG 1 2HT ARG 1 -3.772 3.492 7.236 3 3H ARG 1 3HT ARG 1 -4.642 4.663 6.380 4 HA ARG 1 HA ARG 1 -3.664 2.917 4.481 5 1HB ARG 1 2HB ARG 1 -3.252 1.354 6.333 6 2HB ARG 1 1HB ARG 1 -4.931 1.501 6.837 7 1HG ARG 1 2HG ARG 1 -5.668 0.491 4.759 8 2HG ARG 1 1HG ARG 1 -4.000 0.399 4.192 9 1HD ARG 1 2HD ARG 1 -3.450 -1.099 6.040 10 2HD ARG 1 1HD ARG 1 -5.110 -0.997 6.626 11 HE ARG 1 HE ARG 1 -5.176 -1.859 3.969 12 1HH1 ARG 1 1HH1 ARG 1 -4.092 -2.992 7.082 13 2HH1 ARG 1 2HH1 ARG 1 -4.324 -4.666 6.696 14 1HH2 ARG 1 1HH2 ARG 1 -5.485 -4.057 3.454 15 2HH2 ARG 1 2HH2 ARG 1 -5.112 -5.270 4.634 16 H ARG 2 H ARG 2 -5.291 2.420 3.024 17 HA ARG 2 HA ARG 2 -8.065 2.740 3.681 18 1HB ARG 2 2HB ARG 2 -8.246 4.581 1.817 19 2HB ARG 2 1HB ARG 2 -7.873 5.024 3.476 20 1HG ARG 2 2HG ARG 2 -6.464 6.233 1.918 21 2HG ARG 2 1HG ARG 2 -5.500 5.148 2.918 22 1HD ARG 2 2HD ARG 2 -4.761 5.095 0.597 23 2HD ARG 2 1HD ARG 2 -5.411 3.533 1.091 24 HE ARG 2 HE ARG 2 -6.883 3.740 -0.625 25 1HH1 ARG 2 1HH1 ARG 2 -6.036 6.952 0.440 26 2HH1 ARG 2 2HH1 ARG 2 -7.046 7.741 -0.724 27 1HH2 ARG 2 1HH2 ARG 2 -8.209 4.775 -2.162 28 2HH2 ARG 2 2HH2 ARG 2 -8.276 6.506 -2.203 29 H TRP 3 H TRP 3 -6.440 0.687 2.559 30 HA TRP 3 HA TRP 3 -8.071 -0.148 0.441 31 1HB TRP 3 2HB TRP 3 -6.312 -0.151 -1.382 32 2HB TRP 3 1HB TRP 3 -6.995 1.419 -0.988 33 HD1 TRP 3 HD TRP 3 -4.514 0.546 1.598 34 HE1 TRP 3 1HE TRP 3 -2.271 1.712 1.118 35 HE3 TRP 3 3HE TRP 3 -5.400 2.051 -3.201 36 HZ2 TRP 3 2HZ TRP 3 -1.050 3.065 -1.018 37 HZ3 TRP 3 3HZ TRP 3 -3.631 3.269 -4.399 38 HH2 TRP 3 HH TRP 3 -1.498 3.771 -3.325 39 H GLN 4 H GLN 4 -5.264 -1.292 -0.671 40 HA GLN 4 HA GLN 4 -4.522 -3.125 1.400 41 1HB GLN 4 2HB GLN 4 -5.216 -5.161 0.110 42 2HB GLN 4 1HB GLN 4 -6.552 -4.236 0.783 43 1HG GLN 4 2HG GLN 4 -6.941 -3.206 -1.390 44 2HG GLN 4 1HG GLN 4 -5.600 -4.126 -2.067 45 1HE2 GLN 4 1HE2 GLN 4 -8.841 -4.014 -1.877 46 2HE2 GLN 4 2HE2 GLN 4 -9.223 -5.686 -2.085 47 H TRP 5 H TRP 5 -2.892 -1.450 0.229 48 HA TRP 5 HA TRP 5 -1.670 -2.193 -2.188 49 1HB TRP 5 2HB TRP 5 0.199 -0.774 -1.419 50 2HB TRP 5 1HB TRP 5 -1.359 0.003 -1.160 51 HD1 TRP 5 HD TRP 5 -2.331 -0.606 1.540 52 HE1 TRP 5 1HE TRP 5 -0.976 -0.268 3.706 53 HE3 TRP 5 3HE TRP 5 2.374 -0.585 -0.440 54 HZ2 TRP 5 2HZ TRP 5 1.736 -0.024 4.467 55 HZ3 TRP 5 3HZ TRP 5 4.295 -0.296 1.065 56 HH2 TRP 5 HH TRP 5 3.983 -0.022 3.466 57 H ARG 6 H ARG 6 1.116 -2.184 -1.008 58 HA ARG 6 HA ARG 6 1.400 -4.610 0.461 59 1HB ARG 6 2HB ARG 6 2.624 -5.873 -1.298 60 2HB ARG 6 1HB ARG 6 0.915 -5.661 -1.650 61 1HG ARG 6 2HG ARG 6 1.448 -3.858 -3.201 62 2HG ARG 6 1HG ARG 6 3.163 -4.045 -2.834 63 1HD ARG 6 2HD ARG 6 2.657 -5.176 -4.904 64 2HD ARG 6 1HD ARG 6 3.057 -6.365 -3.665 65 HE ARG 6 HE ARG 6 0.278 -6.008 -3.701 66 1HH1 ARG 6 1HH1 ARG 6 2.829 -7.320 -5.679 67 2HH1 ARG 6 2HH1 ARG 6 1.803 -8.470 -6.468 68 1HH2 ARG 6 1HH2 ARG 6 -1.084 -7.520 -4.741 69 2HH2 ARG 6 2HH2 ARG 6 -0.420 -8.583 -5.936 70 H MET 7 H MET 7 3.189 -2.643 -1.935 71 HA MET 7 HA MET 7 5.016 -1.721 0.085 72 1HB MET 7 2HB MET 7 6.028 -3.549 -2.104 73 2HB MET 7 1HB MET 7 7.056 -2.541 -1.098 74 1HG MET 7 2HG MET 7 6.282 -3.759 0.886 75 2HG MET 7 1HG MET 7 5.301 -4.793 -0.151 76 1HE MET 7 1HE MET 7 9.111 -3.931 0.916 77 2HE MET 7 2HE MET 7 8.756 -3.223 -0.660 78 3HE MET 7 3HE MET 7 9.883 -4.574 -0.533 79 H LYS 8 H LYS 8 3.148 -0.887 -2.205 80 HA LYS 8 HA LYS 8 4.879 0.513 -4.031 81 1HB LYS 8 2HB LYS 8 1.891 0.730 -3.600 82 2HB LYS 8 1HB LYS 8 2.783 1.475 -4.919 83 1HG LYS 8 2HG LYS 8 3.430 -0.741 -5.729 84 2HG LYS 8 1HG LYS 8 2.521 -1.482 -4.410 85 1HD LYS 8 2HD LYS 8 0.463 -0.459 -5.268 86 2HD LYS 8 1HD LYS 8 1.380 0.263 -6.592 87 1HE LYS 8 2HE LYS 8 1.074 -2.690 -6.059 88 2HE LYS 8 1HE LYS 8 0.220 -1.773 -7.300 89 1HZ LYS 8 1HZ LYS 8 1.991 -2.733 -8.425 90 2HZ LYS 8 2HZ LYS 8 3.088 -2.464 -7.165 91 3HZ LYS 8 3HZ LYS 8 2.554 -1.167 -8.110 92 H LYS 9 H LYS 9 2.960 1.248 -1.192 93 HA LYS 9 HA LYS 9 3.110 4.042 -1.243 94 1HB LYS 9 2HB LYS 9 1.621 2.839 0.270 95 2HB LYS 9 1HB LYS 9 3.002 2.173 1.131 96 1HG LYS 9 2HG LYS 9 3.648 4.467 1.789 97 2HG LYS 9 1HG LYS 9 2.183 5.068 1.010 98 1HD LYS 9 2HD LYS 9 2.254 3.073 3.276 99 2HD LYS 9 1HD LYS 9 1.922 4.798 3.451 100 1HE LYS 9 2HE LYS 9 0.292 2.847 1.825 101 2HE LYS 9 1HE LYS 9 -0.136 3.459 3.422 102 1HZ LYS 9 1HZ LYS 9 -0.213 4.812 0.833 103 2HZ LYS 9 2HZ LYS 9 0.183 5.747 2.187 104 3HZ LYS 9 3HZ LYS 9 -1.287 4.911 2.136 105 H LEU 10 H LEU 10 5.277 1.650 0.197 106 HA LEU 10 HA LEU 10 7.063 3.473 1.385 107 1HB LEU 10 2HB LEU 10 6.966 1.104 1.990 108 2HB LEU 10 1HB LEU 10 7.564 0.663 0.402 109 HG LEU 10 HG LEU 10 9.686 1.838 0.900 110 1HD1 LEU 10 1HD1 LEU 10 10.145 2.439 3.262 111 2HD1 LEU 10 2HD1 LEU 10 8.432 2.209 3.613 112 3HD1 LEU 10 3HD1 LEU 10 8.940 3.470 2.491 113 1HD2 LEU 10 1HD2 LEU 10 9.508 -0.556 1.272 114 2HD2 LEU 10 2HD2 LEU 10 8.881 -0.274 2.897 115 3HD2 LEU 10 3HD2 LEU 10 10.536 0.185 2.498 116 H GLY 11 H GLY 11 8.858 4.499 0.669 117 1HA GLY 11 2HA GLY 11 10.257 3.870 -1.705 118 2HA GLY 11 1HA GLY 11 9.117 5.167 -2.027 Start of MODEL 14 1 1H ARG 1 1HT ARG 1 -9.007 1.359 5.426 2 2H ARG 1 2HT ARG 1 -7.989 0.814 6.662 3 3H ARG 1 3HT ARG 1 -7.638 0.438 5.052 4 HA ARG 1 HA ARG 1 -7.449 3.055 6.398 5 1HB ARG 1 2HB ARG 1 -5.500 1.397 4.790 6 2HB ARG 1 1HB ARG 1 -5.140 2.942 5.546 7 1HG ARG 1 2HG ARG 1 -5.498 1.978 7.744 8 2HG ARG 1 1HG ARG 1 -5.930 0.432 7.008 9 1HD ARG 1 2HD ARG 1 -3.689 0.275 6.033 10 2HD ARG 1 1HD ARG 1 -3.260 1.817 6.771 11 HE ARG 1 HE ARG 1 -2.783 0.658 8.665 12 1HH1 ARG 1 1HH1 ARG 1 -5.181 -1.143 6.884 13 2HH1 ARG 1 2HH1 ARG 1 -5.239 -2.441 8.030 14 1HH2 ARG 1 1HH2 ARG 1 -2.854 -1.047 10.171 15 2HH2 ARG 1 2HH2 ARG 1 -3.916 -2.387 9.896 16 H ARG 2 H ARG 2 -7.442 1.426 3.281 17 HA ARG 2 HA ARG 2 -8.795 3.491 1.935 18 1HB ARG 2 2HB ARG 2 -6.949 4.253 0.443 19 2HB ARG 2 1HB ARG 2 -6.765 4.767 2.114 20 1HG ARG 2 2HG ARG 2 -5.174 2.916 2.473 21 2HG ARG 2 1HG ARG 2 -5.314 2.501 0.763 22 1HD ARG 2 2HD ARG 2 -4.328 5.123 1.884 23 2HD ARG 2 1HD ARG 2 -3.327 3.854 1.179 24 HE ARG 2 HE ARG 2 -5.261 4.610 -0.698 25 1HH1 ARG 2 1HH1 ARG 2 -2.443 5.912 0.884 26 2HH1 ARG 2 2HH1 ARG 2 -2.032 6.963 -0.431 27 1HH2 ARG 2 1HH2 ARG 2 -4.729 5.992 -2.431 28 2HH2 ARG 2 2HH2 ARG 2 -3.332 7.009 -2.314 29 H TRP 3 H TRP 3 -6.645 0.722 1.767 30 HA TRP 3 HA TRP 3 -8.366 -0.600 -0.085 31 1HB TRP 3 2HB TRP 3 -6.667 -0.905 -1.886 32 2HB TRP 3 1HB TRP 3 -7.237 0.748 -1.735 33 HD1 TRP 3 HD TRP 3 -4.724 0.028 0.908 34 HE1 TRP 3 1HE TRP 3 -2.457 1.051 0.253 35 HE3 TRP 3 3HE TRP 3 -5.700 1.103 -3.993 36 HZ2 TRP 3 2HZ TRP 3 -1.253 2.155 -2.032 37 HZ3 TRP 3 3HZ TRP 3 -3.926 2.134 -5.347 38 HH2 TRP 3 HH TRP 3 -1.743 2.652 -4.385 39 H GLN 4 H GLN 4 -5.669 -1.980 -1.001 40 HA GLN 4 HA GLN 4 -4.915 -3.376 1.417 41 1HB GLN 4 2HB GLN 4 -5.459 -5.606 0.460 42 2HB GLN 4 1HB GLN 4 -6.883 -4.637 0.810 43 1HG GLN 4 2HG GLN 4 -7.030 -4.028 -1.561 44 2HG GLN 4 1HG GLN 4 -5.632 -5.049 -1.896 45 1HE2 GLN 4 1HE2 GLN 4 -6.122 -6.954 -2.679 46 2HE2 GLN 4 2HE2 GLN 4 -7.555 -7.862 -2.351 47 H TRP 5 H TRP 5 -3.248 -1.847 0.208 48 HA TRP 5 HA TRP 5 -1.853 -2.708 -2.045 49 1HB TRP 5 2HB TRP 5 -0.015 -1.278 -1.189 50 2HB TRP 5 1HB TRP 5 -1.582 -0.479 -1.134 51 HD1 TRP 5 HD TRP 5 -2.817 -0.974 1.503 52 HE1 TRP 5 1HE TRP 5 -1.686 -0.465 3.759 53 HE3 TRP 5 3HE TRP 5 2.065 -0.932 -0.020 54 HZ2 TRP 5 2HZ TRP 5 0.925 -0.090 4.760 55 HZ3 TRP 5 3HZ TRP 5 3.817 -0.487 1.649 56 HH2 TRP 5 HH TRP 5 3.256 -0.075 3.989 57 H ARG 6 H ARG 6 0.852 -2.640 -0.703 58 HA ARG 6 HA ARG 6 1.093 -5.008 0.862 59 1HB ARG 6 2HB ARG 6 2.423 -6.287 -0.843 60 2HB ARG 6 1HB ARG 6 0.700 -6.186 -1.178 61 1HG ARG 6 2HG ARG 6 1.106 -4.430 -2.812 62 2HG ARG 6 1HG ARG 6 2.833 -4.484 -2.454 63 1HD ARG 6 2HD ARG 6 2.269 -5.732 -4.493 64 2HD ARG 6 1HD ARG 6 2.955 -6.771 -3.245 65 HE ARG 6 HE ARG 6 0.164 -6.824 -3.017 66 1HH1 ARG 6 1HH1 ARG 6 2.669 -7.855 -5.211 67 2HH1 ARG 6 2HH1 ARG 6 1.765 -9.206 -5.809 68 1HH2 ARG 6 1HH2 ARG 6 -1.030 -8.599 -3.797 69 2HH2 ARG 6 2HH2 ARG 6 -0.337 -9.630 -5.004 70 H MET 7 H MET 7 2.805 -2.938 -1.471 71 HA MET 7 HA MET 7 4.606 -1.979 0.498 72 1HB MET 7 2HB MET 7 6.691 -2.912 -0.451 73 2HB MET 7 1HB MET 7 5.661 -4.131 0.278 74 1HG MET 7 2HG MET 7 4.874 -4.799 -1.932 75 2HG MET 7 1HG MET 7 5.891 -3.562 -2.667 76 1HE MET 7 1HE MET 7 8.654 -4.006 -0.661 77 2HE MET 7 2HE MET 7 8.406 -3.416 -2.305 78 3HE MET 7 3HE MET 7 9.469 -4.793 -2.014 79 H LYS 8 H LYS 8 2.841 -1.201 -1.812 80 HA LYS 8 HA LYS 8 4.609 -0.005 -3.740 81 1HB LYS 8 2HB LYS 8 2.363 -0.659 -4.421 82 2HB LYS 8 1HB LYS 8 1.657 0.394 -3.203 83 1HG LYS 8 2HG LYS 8 1.494 1.394 -5.401 84 2HG LYS 8 1HG LYS 8 2.560 2.345 -4.365 85 1HD LYS 8 2HD LYS 8 4.508 1.313 -5.416 86 2HD LYS 8 1HD LYS 8 3.447 0.351 -6.449 87 1HE LYS 8 2HE LYS 8 2.554 2.399 -7.439 88 2HE LYS 8 1HE LYS 8 3.598 3.365 -6.396 89 1HZ LYS 8 1HZ LYS 8 4.453 3.034 -8.690 90 2HZ LYS 8 2HZ LYS 8 4.614 1.383 -8.359 91 3HZ LYS 8 3HZ LYS 8 5.518 2.512 -7.482 92 H LYS 9 H LYS 9 2.806 0.967 -0.903 93 HA LYS 9 HA LYS 9 3.714 3.721 -1.085 94 1HB LYS 9 2HB LYS 9 1.405 3.105 -0.311 95 2HB LYS 9 1HB LYS 9 2.131 2.384 1.118 96 1HG LYS 9 2HG LYS 9 3.033 4.561 1.764 97 2HG LYS 9 1HG LYS 9 2.304 5.286 0.330 98 1HD LYS 9 2HD LYS 9 0.892 5.709 2.239 99 2HD LYS 9 1HD LYS 9 0.078 4.579 1.155 100 1HE LYS 9 2HE LYS 9 -0.177 3.888 3.476 101 2HE LYS 9 1HE LYS 9 0.781 2.714 2.573 102 1HZ LYS 9 1HZ LYS 9 2.242 4.823 3.960 103 2HZ LYS 9 2HZ LYS 9 2.640 3.194 3.747 104 3HZ LYS 9 3HZ LYS 9 1.516 3.641 4.929 105 H LEU 10 H LEU 10 5.799 1.833 -0.877 106 HA LEU 10 HA LEU 10 6.698 1.584 1.816 107 1HB LEU 10 2HB LEU 10 8.892 0.969 0.682 108 2HB LEU 10 1HB LEU 10 7.505 -0.054 0.368 109 HG LEU 10 HG LEU 10 7.187 1.154 -1.806 110 1HD1 LEU 10 1HD1 LEU 10 8.226 3.135 -1.943 111 2HD1 LEU 10 2HD1 LEU 10 9.627 2.176 -2.419 112 3HD1 LEU 10 3HD1 LEU 10 9.443 2.695 -0.744 113 1HD2 LEU 10 1HD2 LEU 10 9.685 0.213 -2.519 114 2HD2 LEU 10 2HD2 LEU 10 8.191 -0.723 -2.451 115 3HD2 LEU 10 3HD2 LEU 10 9.286 -0.705 -1.067 116 H GLY 11 H GLY 11 6.061 4.318 1.098 117 1HA GLY 11 2HA GLY 11 8.226 5.635 2.310 118 2HA GLY 11 1HA GLY 11 8.326 5.881 0.573 Start of MODEL 15 1 1H ARG 1 1HT ARG 1 -8.167 1.376 6.815 2 2H ARG 1 2HT ARG 1 -6.976 1.121 7.988 3 3H ARG 1 3HT ARG 1 -7.591 -0.187 7.111 4 HA ARG 1 HA ARG 1 -5.501 1.646 6.441 5 1HB ARG 1 2HB ARG 1 -6.427 -0.964 5.221 6 2HB ARG 1 1HB ARG 1 -4.859 -0.208 4.978 7 1HG ARG 1 2HG ARG 1 -4.375 -0.489 7.371 8 2HG ARG 1 1HG ARG 1 -5.930 -1.298 7.574 9 1HD ARG 1 2HD ARG 1 -4.200 -2.959 7.378 10 2HD ARG 1 1HD ARG 1 -5.206 -3.003 5.931 11 HE ARG 1 HE ARG 1 -3.016 -1.309 5.470 12 1HH1 ARG 1 1HH1 ARG 1 -3.748 -4.688 5.916 13 2HH1 ARG 1 2HH1 ARG 1 -2.394 -5.236 4.985 14 1HH2 ARG 1 1HH2 ARG 1 -1.229 -2.022 4.247 15 2HH2 ARG 1 2HH2 ARG 1 -0.962 -3.721 4.037 16 H ARG 2 H ARG 2 -5.167 2.735 4.539 17 HA ARG 2 HA ARG 2 -7.287 3.914 3.221 18 1HB ARG 2 2HB ARG 2 -4.997 4.792 3.156 19 2HB ARG 2 1HB ARG 2 -4.493 3.430 2.165 20 1HG ARG 2 2HG ARG 2 -6.018 4.181 0.390 21 2HG ARG 2 1HG ARG 2 -6.462 5.571 1.382 22 1HD ARG 2 2HD ARG 2 -4.134 6.325 1.364 23 2HD ARG 2 1HD ARG 2 -3.690 4.936 0.374 24 HE ARG 2 HE ARG 2 -4.368 6.130 -1.435 25 1HH1 ARG 2 1HH1 ARG 2 -6.091 7.327 1.352 26 2HH1 ARG 2 2HH1 ARG 2 -6.940 8.545 0.460 27 1HH2 ARG 2 1HH2 ARG 2 -5.486 7.728 -2.612 28 2HH2 ARG 2 2HH2 ARG 2 -6.597 8.773 -1.792 29 H TRP 3 H TRP 3 -5.549 0.961 2.433 30 HA TRP 3 HA TRP 3 -7.718 -0.081 0.935 31 1HB TRP 3 2HB TRP 3 -6.481 -0.264 -1.257 32 2HB TRP 3 1HB TRP 3 -7.015 1.357 -0.842 33 HD1 TRP 3 HD TRP 3 -4.014 0.697 1.154 34 HE1 TRP 3 1HE TRP 3 -1.947 1.756 0.050 35 HE3 TRP 3 3HE TRP 3 -5.968 1.671 -3.466 36 HZ2 TRP 3 2HZ TRP 3 -1.247 2.844 -2.439 37 HZ3 TRP 3 3HZ TRP 3 -4.522 2.717 -5.157 38 HH2 TRP 3 HH TRP 3 -2.204 3.295 -4.653 39 H GLN 4 H GLN 4 -5.328 -1.395 -0.745 40 HA GLN 4 HA GLN 4 -4.276 -3.144 1.339 41 1HB GLN 4 2HB GLN 4 -4.920 -5.163 0.034 42 2HB GLN 4 1HB GLN 4 -6.298 -4.284 0.683 43 1HG GLN 4 2HG GLN 4 -6.678 -3.260 -1.495 44 2HG GLN 4 1HG GLN 4 -5.293 -4.134 -2.150 45 1HE2 GLN 4 1HE2 GLN 4 -5.839 -5.833 -3.291 46 2HE2 GLN 4 2HE2 GLN 4 -7.204 -6.856 -3.021 47 H TRP 5 H TRP 5 -2.792 -1.306 0.121 48 HA TRP 5 HA TRP 5 -1.574 -1.959 -2.315 49 1HB TRP 5 2HB TRP 5 0.225 -0.441 -1.577 50 2HB TRP 5 1HB TRP 5 -1.369 0.241 -1.276 51 HD1 TRP 5 HD TRP 5 -2.240 -0.421 1.439 52 HE1 TRP 5 1HE TRP 5 -0.861 -0.020 3.575 53 HE3 TRP 5 3HE TRP 5 2.421 -0.147 -0.641 54 HZ2 TRP 5 2HZ TRP 5 1.842 0.365 4.284 55 HZ3 TRP 5 3HZ TRP 5 4.351 0.243 0.836 56 HH2 TRP 5 HH TRP 5 4.065 0.494 3.246 57 H ARG 6 H ARG 6 1.208 -1.873 -1.549 58 HA ARG 6 HA ARG 6 1.700 -4.342 -0.086 59 1HB ARG 6 2HB ARG 6 2.657 -3.961 -2.931 60 2HB ARG 6 1HB ARG 6 3.036 -5.322 -1.886 61 1HG ARG 6 2HG ARG 6 0.719 -6.010 -1.883 62 2HG ARG 6 1HG ARG 6 0.275 -4.595 -2.840 63 1HD ARG 6 2HD ARG 6 1.774 -5.408 -4.642 64 2HD ARG 6 1HD ARG 6 2.067 -6.865 -3.692 65 HE ARG 6 HE ARG 6 -0.163 -6.361 -5.344 66 1HH1 ARG 6 1HH1 ARG 6 0.692 -7.792 -2.283 67 2HH1 ARG 6 2HH1 ARG 6 -0.655 -8.879 -2.271 68 1HH2 ARG 6 1HH2 ARG 6 -1.937 -7.788 -5.336 69 2HH2 ARG 6 2HH2 ARG 6 -2.152 -8.875 -4.004 70 H MET 7 H MET 7 3.531 -2.310 -2.368 71 HA MET 7 HA MET 7 5.104 -1.136 -0.251 72 1HB MET 7 2HB MET 7 6.387 -2.996 -2.265 73 2HB MET 7 1HB MET 7 7.276 -1.906 -1.212 74 1HG MET 7 2HG MET 7 6.406 -3.087 0.742 75 2HG MET 7 1HG MET 7 5.524 -4.184 -0.318 76 1HE MET 7 1HE MET 7 8.369 -5.611 1.778 77 2HE MET 7 2HE MET 7 7.557 -6.753 0.707 78 3HE MET 7 3HE MET 7 6.630 -5.490 1.516 79 H LYS 8 H LYS 8 3.330 -0.271 -2.396 80 HA LYS 8 HA LYS 8 5.051 1.011 -4.347 81 1HB LYS 8 2HB LYS 8 2.060 1.183 -3.928 82 2HB LYS 8 1HB LYS 8 2.937 1.900 -5.272 83 1HG LYS 8 2HG LYS 8 3.638 -0.330 -5.998 84 2HG LYS 8 1HG LYS 8 2.737 -1.043 -4.659 85 1HD LYS 8 2HD LYS 8 0.664 -0.090 -5.566 86 2HD LYS 8 1HD LYS 8 1.578 0.603 -6.906 87 1HE LYS 8 2HE LYS 8 1.303 -2.334 -6.276 88 2HE LYS 8 1HE LYS 8 0.471 -1.470 -7.568 89 1HZ LYS 8 1HZ LYS 8 2.562 -1.029 -8.628 90 2HZ LYS 8 2HZ LYS 8 2.445 -2.691 -8.337 91 3HZ LYS 8 3HZ LYS 8 3.421 -1.726 -7.348 92 H LYS 9 H LYS 9 3.013 1.898 -1.607 93 HA LYS 9 HA LYS 9 3.192 4.674 -1.818 94 1HB LYS 9 2HB LYS 9 1.628 3.559 -0.309 95 2HB LYS 9 1HB LYS 9 2.966 2.969 0.668 96 1HG LYS 9 2HG LYS 9 3.541 5.235 1.302 97 2HG LYS 9 1HG LYS 9 2.266 5.872 0.262 98 1HD LYS 9 2HD LYS 9 1.521 5.838 2.572 99 2HD LYS 9 1HD LYS 9 0.592 4.679 1.621 100 1HE LYS 9 2HE LYS 9 2.017 2.865 2.453 101 2HE LYS 9 1HE LYS 9 2.933 4.029 3.410 102 1HZ LYS 9 1HZ LYS 9 0.604 4.585 4.375 103 2HZ LYS 9 2HZ LYS 9 1.445 3.232 4.941 104 3HZ LYS 9 3HZ LYS 9 0.196 3.040 3.818 105 H LEU 10 H LEU 10 5.264 2.397 -0.070 106 HA LEU 10 HA LEU 10 7.068 4.432 0.849 107 1HB LEU 10 2HB LEU 10 7.683 1.493 0.663 108 2HB LEU 10 1HB LEU 10 8.336 2.667 1.790 109 HG LEU 10 HG LEU 10 5.516 1.615 1.765 110 1HD1 LEU 10 1HD1 LEU 10 7.484 1.233 3.975 111 2HD1 LEU 10 2HD1 LEU 10 7.518 0.167 2.568 112 3HD1 LEU 10 3HD1 LEU 10 6.063 0.277 3.558 113 1HD2 LEU 10 1HD2 LEU 10 4.922 3.147 3.298 114 2HD2 LEU 10 2HD2 LEU 10 6.274 4.071 2.642 115 3HD2 LEU 10 3HD2 LEU 10 6.493 3.101 4.098 116 H GLY 11 H GLY 11 9.388 2.530 0.139 117 1HA GLY 11 2HA GLY 11 11.067 2.541 -1.426 118 2HA GLY 11 1HA GLY 11 9.757 2.326 -2.576 Start of MODEL 16 1 1H ARG 1 1HT ARG 1 -8.103 -1.141 5.458 2 2H ARG 1 2HT ARG 1 -7.756 -1.177 7.113 3 3H ARG 1 3HT ARG 1 -6.569 -1.617 5.992 4 HA ARG 1 HA ARG 1 -7.229 0.946 7.003 5 1HB ARG 1 2HB ARG 1 -5.057 0.027 5.103 6 2HB ARG 1 1HB ARG 1 -5.022 1.461 6.123 7 1HG ARG 1 2HG ARG 1 -5.056 0.032 8.115 8 2HG ARG 1 1HG ARG 1 -5.028 -1.393 7.075 9 1HD ARG 1 2HD ARG 1 -2.796 -0.909 7.881 10 2HD ARG 1 1HD ARG 1 -2.881 -0.645 6.141 11 HE ARG 1 HE ARG 1 -3.387 1.791 7.401 12 1HH1 ARG 1 1HH1 ARG 1 -0.770 -0.480 7.019 13 2HH1 ARG 1 2HH1 ARG 1 0.467 0.724 7.175 14 1HH2 ARG 1 1HH2 ARG 1 -1.763 3.380 7.609 15 2HH2 ARG 1 2HH2 ARG 1 -0.098 2.914 7.511 16 H ARG 2 H ARG 2 -5.771 2.046 4.457 17 HA ARG 2 HA ARG 2 -8.049 3.227 3.297 18 1HB ARG 2 2HB ARG 2 -5.872 4.327 3.266 19 2HB ARG 2 1HB ARG 2 -5.217 3.045 2.255 20 1HG ARG 2 2HG ARG 2 -6.673 3.683 0.436 21 2HG ARG 2 1HG ARG 2 -7.446 4.904 1.450 22 1HD ARG 2 2HD ARG 2 -5.787 5.886 -0.070 23 2HD ARG 2 1HD ARG 2 -5.354 6.120 1.622 24 HE ARG 2 HE ARG 2 -4.106 3.790 0.709 25 1HH1 ARG 2 1HH1 ARG 2 -4.001 7.232 0.184 26 2HH1 ARG 2 2HH1 ARG 2 -2.321 7.248 -0.238 27 1HH2 ARG 2 1HH2 ARG 2 -1.893 3.799 0.155 28 2HH2 ARG 2 2HH2 ARG 2 -1.122 5.295 -0.258 29 H TRP 3 H TRP 3 -6.109 0.439 2.438 30 HA TRP 3 HA TRP 3 -8.186 -0.665 0.848 31 1HB TRP 3 2HB TRP 3 -6.881 -0.751 -1.299 32 2HB TRP 3 1HB TRP 3 -7.461 0.848 -0.865 33 HD1 TRP 3 HD TRP 3 -4.506 0.222 1.210 34 HE1 TRP 3 1HE TRP 3 -2.429 1.339 0.180 35 HE3 TRP 3 3HE TRP 3 -6.345 1.214 -3.451 36 HZ2 TRP 3 2HZ TRP 3 -1.681 2.474 -2.276 37 HZ3 TRP 3 3HZ TRP 3 -4.874 2.311 -5.089 38 HH2 TRP 3 HH TRP 3 -2.584 2.930 -4.512 39 H GLN 4 H GLN 4 -5.650 -1.833 -0.746 40 HA GLN 4 HA GLN 4 -4.624 -3.592 1.338 41 1HB GLN 4 2HB GLN 4 -5.161 -5.607 -0.021 42 2HB GLN 4 1HB GLN 4 -6.588 -4.783 0.594 43 1HG GLN 4 2HG GLN 4 -6.904 -3.716 -1.580 44 2HG GLN 4 1HG GLN 4 -5.484 -4.558 -2.194 45 1HE2 GLN 4 1HE2 GLN 4 -6.904 -6.644 -0.105 46 2HE2 GLN 4 2HE2 GLN 4 -7.903 -7.526 -1.203 47 H TRP 5 H TRP 5 -3.128 -1.711 0.226 48 HA TRP 5 HA TRP 5 -1.844 -2.268 -2.199 49 1HB TRP 5 2HB TRP 5 -0.055 -0.778 -1.351 50 2HB TRP 5 1HB TRP 5 -1.664 -0.101 -1.113 51 HD1 TRP 5 HD TRP 5 -2.676 -0.722 1.523 52 HE1 TRP 5 1HE TRP 5 -1.402 -0.394 3.738 53 HE3 TRP 5 3HE TRP 5 2.109 -0.651 -0.286 54 HZ2 TRP 5 2HZ TRP 5 1.273 -0.138 4.603 55 HZ3 TRP 5 3HZ TRP 5 3.966 -0.359 1.302 56 HH2 TRP 5 HH TRP 5 3.555 -0.108 3.694 57 H ARG 6 H ARG 6 0.926 -2.201 -1.374 58 HA ARG 6 HA ARG 6 1.406 -4.691 0.042 59 1HB ARG 6 2HB ARG 6 2.214 -4.321 -2.850 60 2HB ARG 6 1HB ARG 6 2.760 -5.633 -1.818 61 1HG ARG 6 2HG ARG 6 0.489 -6.455 -1.616 62 2HG ARG 6 1HG ARG 6 -0.104 -5.101 -2.580 63 1HD ARG 6 2HD ARG 6 1.234 -5.880 -4.482 64 2HD ARG 6 1HD ARG 6 1.802 -7.244 -3.517 65 HE ARG 6 HE ARG 6 -0.976 -7.310 -3.491 66 1HH1 ARG 6 1HH1 ARG 6 1.603 -7.607 -5.817 67 2HH1 ARG 6 2HH1 ARG 6 0.712 -8.665 -6.858 68 1HH2 ARG 6 1HH2 ARG 6 -2.152 -8.702 -4.854 69 2HH2 ARG 6 2HH2 ARG 6 -1.423 -9.288 -6.311 70 H MET 7 H MET 7 3.019 -2.365 -2.131 71 HA MET 7 HA MET 7 4.658 -1.245 -0.139 72 1HB MET 7 2HB MET 7 6.846 -2.194 -0.848 73 2HB MET 7 1HB MET 7 5.794 -3.374 -0.079 74 1HG MET 7 2HG MET 7 5.166 -4.244 -2.274 75 2HG MET 7 1HG MET 7 6.229 -3.066 -3.041 76 1HE MET 7 1HE MET 7 6.299 -6.188 -3.574 77 2HE MET 7 2HE MET 7 8.026 -6.550 -3.544 78 3HE MET 7 3HE MET 7 7.442 -5.105 -4.370 79 H LYS 8 H LYS 8 3.067 -0.346 -2.296 80 HA LYS 8 HA LYS 8 4.981 0.623 -4.284 81 1HB LYS 8 2HB LYS 8 1.969 0.826 -4.159 82 2HB LYS 8 1HB LYS 8 2.960 1.474 -5.458 83 1HG LYS 8 2HG LYS 8 2.759 -1.431 -4.693 84 2HG LYS 8 1HG LYS 8 1.945 -0.665 -6.057 85 1HD LYS 8 2HD LYS 8 4.930 -0.893 -5.663 86 2HD LYS 8 1HD LYS 8 3.955 -1.841 -6.786 87 1HE LYS 8 2HE LYS 8 4.368 1.147 -6.853 88 2HE LYS 8 1HE LYS 8 5.088 -0.031 -7.950 89 1HZ LYS 8 1HZ LYS 8 2.166 0.423 -7.666 90 2HZ LYS 8 2HZ LYS 8 2.930 -0.567 -8.806 91 3HZ LYS 8 3HZ LYS 8 3.125 1.113 -8.879 92 H LYS 9 H LYS 9 2.505 1.899 -2.076 93 HA LYS 9 HA LYS 9 3.193 4.614 -2.521 94 1HB LYS 9 2HB LYS 9 1.772 5.075 -0.551 95 2HB LYS 9 1HB LYS 9 0.984 4.038 -1.728 96 1HG LYS 9 2HG LYS 9 0.426 3.002 0.235 97 2HG LYS 9 1HG LYS 9 1.879 2.112 -0.216 98 1HD LYS 9 2HD LYS 9 2.093 2.601 2.088 99 2HD LYS 9 1HD LYS 9 3.167 3.721 1.251 100 1HE LYS 9 2HE LYS 9 0.380 4.378 2.201 101 2HE LYS 9 1HE LYS 9 1.861 4.786 3.064 102 1HZ LYS 9 1HZ LYS 9 2.512 5.988 0.937 103 2HZ LYS 9 2HZ LYS 9 1.308 6.703 1.887 104 3HZ LYS 9 3HZ LYS 9 0.887 5.853 0.485 105 H LEU 10 H LEU 10 4.190 2.216 -0.151 106 HA LEU 10 HA LEU 10 5.616 4.005 1.529 107 1HB LEU 10 2HB LEU 10 4.845 1.769 2.240 108 2HB LEU 10 1HB LEU 10 5.996 1.034 1.141 109 HG LEU 10 HG LEU 10 7.846 2.063 2.437 110 1HD1 LEU 10 1HD1 LEU 10 7.410 3.056 4.595 111 2HD1 LEU 10 2HD1 LEU 10 5.674 2.838 4.378 112 3HD1 LEU 10 3HD1 LEU 10 6.558 3.959 3.343 113 1HD2 LEU 10 1HD2 LEU 10 7.933 0.285 3.810 114 2HD2 LEU 10 2HD2 LEU 10 6.470 -0.206 2.956 115 3HD2 LEU 10 3HD2 LEU 10 6.350 0.615 4.512 116 H GLY 11 H GLY 11 7.683 4.727 1.458 117 1HA GLY 11 2HA GLY 11 9.789 3.532 0.027 118 2HA GLY 11 1HA GLY 11 9.071 4.779 -0.979 Start of MODEL 17 1 1H ARG 1 1HT ARG 1 -8.605 -0.699 6.128 2 2H ARG 1 2HT ARG 1 -8.944 0.924 6.461 3 3H ARG 1 3HT ARG 1 -7.940 0.041 7.496 4 HA ARG 1 HA ARG 1 -6.415 1.250 6.311 5 1HB ARG 1 2HB ARG 1 -6.822 -1.277 4.698 6 2HB ARG 1 1HB ARG 1 -5.333 -0.350 4.809 7 1HG ARG 1 2HG ARG 1 -5.241 -0.845 7.223 8 2HG ARG 1 1HG ARG 1 -6.684 -1.844 7.046 9 1HD ARG 1 2HD ARG 1 -4.709 -3.241 7.017 10 2HD ARG 1 1HD ARG 1 -5.480 -3.259 5.432 11 HE ARG 1 HE ARG 1 -3.522 -1.260 5.445 12 1HH1 ARG 1 1HH1 ARG 1 -3.774 -4.732 5.577 13 2HH1 ARG 1 2HH1 ARG 1 -2.232 -5.001 4.836 14 1HH2 ARG 1 1HH2 ARG 1 -1.489 -1.604 4.472 15 2HH2 ARG 1 2HH2 ARG 1 -0.933 -3.223 4.210 16 H ARG 2 H ARG 2 -5.808 2.484 4.544 17 HA ARG 2 HA ARG 2 -7.747 3.730 3.049 18 1HB ARG 2 2HB ARG 2 -5.441 4.565 3.387 19 2HB ARG 2 1HB ARG 2 -4.845 3.344 2.275 20 1HG ARG 2 2HG ARG 2 -6.886 5.360 1.411 21 2HG ARG 2 1HG ARG 2 -5.164 5.742 1.421 22 1HD ARG 2 2HD ARG 2 -4.757 3.793 -0.038 23 2HD ARG 2 1HD ARG 2 -6.492 3.490 -0.085 24 HE ARG 2 HE ARG 2 -6.605 5.035 -1.741 25 1HH1 ARG 2 1HH1 ARG 2 -3.863 5.824 0.263 26 2HH1 ARG 2 2HH1 ARG 2 -3.397 7.190 -0.693 27 1HH2 ARG 2 1HH2 ARG 2 -5.992 6.831 -3.006 28 2HH2 ARG 2 2HH2 ARG 2 -4.605 7.763 -2.548 29 H TRP 3 H TRP 3 -5.912 0.832 2.267 30 HA TRP 3 HA TRP 3 -7.888 -0.084 0.456 31 1HB TRP 3 2HB TRP 3 -6.421 -0.149 -1.587 32 2HB TRP 3 1HB TRP 3 -6.973 1.454 -1.131 33 HD1 TRP 3 HD TRP 3 -4.204 0.596 1.123 34 HE1 TRP 3 1HE TRP 3 -2.023 1.691 0.312 35 HE3 TRP 3 3HE TRP 3 -5.662 1.923 -3.591 36 HZ2 TRP 3 2HZ TRP 3 -1.057 2.935 -2.011 37 HZ3 TRP 3 3HZ TRP 3 -4.038 3.057 -5.051 38 HH2 TRP 3 HH TRP 3 -1.777 3.555 -4.274 39 H GLN 4 H GLN 4 -5.309 -1.314 -1.006 40 HA GLN 4 HA GLN 4 -4.483 -3.188 1.060 41 1HB GLN 4 2HB GLN 4 -5.069 -5.142 -0.358 42 2HB GLN 4 1HB GLN 4 -6.479 -4.250 0.204 43 1HG GLN 4 2HG GLN 4 -6.632 -3.135 -1.966 44 2HG GLN 4 1HG GLN 4 -5.233 -4.048 -2.528 45 1HE2 GLN 4 1HE2 GLN 4 -8.477 -3.911 -2.668 46 2HE2 GLN 4 2HE2 GLN 4 -8.844 -5.573 -2.969 47 H TRP 5 H TRP 5 -2.869 -1.351 0.059 48 HA TRP 5 HA TRP 5 -1.496 -1.899 -2.321 49 1HB TRP 5 2HB TRP 5 0.282 -0.478 -1.371 50 2HB TRP 5 1HB TRP 5 -1.312 0.231 -1.130 51 HD1 TRP 5 HD TRP 5 -2.390 -0.535 1.460 52 HE1 TRP 5 1HE TRP 5 -1.152 -0.340 3.711 53 HE3 TRP 5 3HE TRP 5 2.423 -0.386 -0.265 54 HZ2 TRP 5 2HZ TRP 5 1.510 -0.149 4.631 55 HZ3 TRP 5 3HZ TRP 5 4.255 -0.196 1.366 56 HH2 TRP 5 HH TRP 5 3.807 -0.079 3.763 57 H ARG 6 H ARG 6 1.219 -1.941 -1.359 58 HA ARG 6 HA ARG 6 1.601 -4.432 0.066 59 1HB ARG 6 2HB ARG 6 2.423 -4.131 -2.830 60 2HB ARG 6 1HB ARG 6 3.009 -5.400 -1.768 61 1HG ARG 6 2HG ARG 6 0.114 -4.975 -2.471 62 2HG ARG 6 1HG ARG 6 1.189 -6.112 -3.287 63 1HD ARG 6 2HD ARG 6 1.551 -7.283 -1.165 64 2HD ARG 6 1HD ARG 6 0.472 -6.148 -0.356 65 HE ARG 6 HE ARG 6 -0.915 -7.294 -2.493 66 1HH1 ARG 6 1HH1 ARG 6 0.468 -8.240 0.563 67 2HH1 ARG 6 2HH1 ARG 6 -0.667 -9.523 0.824 68 1HH2 ARG 6 1HH2 ARG 6 -2.411 -8.979 -2.157 69 2HH2 ARG 6 2HH2 ARG 6 -2.302 -9.944 -0.722 70 H MET 7 H MET 7 3.316 -2.241 -2.157 71 HA MET 7 HA MET 7 4.930 -1.043 -0.197 72 1HB MET 7 2HB MET 7 7.109 -2.081 -0.749 73 2HB MET 7 1HB MET 7 5.997 -3.212 0.011 74 1HG MET 7 2HG MET 7 5.444 -4.110 -2.223 75 2HG MET 7 1HG MET 7 6.654 -3.035 -2.921 76 1HE MET 7 1HE MET 7 9.517 -4.022 -0.483 77 2HE MET 7 2HE MET 7 8.771 -2.750 -1.451 78 3HE MET 7 3HE MET 7 9.808 -3.951 -2.222 79 H LYS 8 H LYS 8 3.419 -0.200 -2.395 80 HA LYS 8 HA LYS 8 5.261 0.459 -4.536 81 1HB LYS 8 2HB LYS 8 3.298 1.565 -5.561 82 2HB LYS 8 1HB LYS 8 2.995 -0.118 -5.155 83 1HG LYS 8 2HG LYS 8 1.813 0.593 -3.129 84 2HG LYS 8 1HG LYS 8 2.096 2.278 -3.568 85 1HD LYS 8 2HD LYS 8 0.603 0.312 -5.301 86 2HD LYS 8 1HD LYS 8 -0.178 1.400 -4.156 87 1HE LYS 8 2HE LYS 8 -0.297 2.407 -6.317 88 2HE LYS 8 1HE LYS 8 0.880 3.312 -5.367 89 1HZ LYS 8 1HZ LYS 8 1.447 2.662 -7.776 90 2HZ LYS 8 2HZ LYS 8 1.761 1.127 -7.140 91 3HZ LYS 8 3HZ LYS 8 2.634 2.467 -6.586 92 H LYS 9 H LYS 9 3.452 2.134 -1.999 93 HA LYS 9 HA LYS 9 4.401 4.726 -2.701 94 1HB LYS 9 2HB LYS 9 3.457 5.438 -0.548 95 2HB LYS 9 1HB LYS 9 2.324 4.456 -1.466 96 1HG LYS 9 2HG LYS 9 2.886 2.520 -0.083 97 2HG LYS 9 1HG LYS 9 4.012 3.516 0.843 98 1HD LYS 9 2HD LYS 9 2.158 4.968 1.524 99 2HD LYS 9 1HD LYS 9 1.035 3.962 0.605 100 1HE LYS 9 2HE LYS 9 1.586 2.049 2.019 101 2HE LYS 9 1HE LYS 9 2.723 3.042 2.929 102 1HZ LYS 9 1HZ LYS 9 -0.207 3.505 2.752 103 2HZ LYS 9 2HZ LYS 9 0.889 4.437 3.641 104 3HZ LYS 9 3HZ LYS 9 0.604 2.829 4.074 105 H LEU 10 H LEU 10 5.459 2.259 -0.426 106 HA LEU 10 HA LEU 10 7.506 3.923 0.727 107 1HB LEU 10 2HB LEU 10 6.350 2.100 1.969 108 2HB LEU 10 1HB LEU 10 7.137 0.931 0.925 109 HG LEU 10 HG LEU 10 9.337 1.677 1.777 110 1HD1 LEU 10 1HD1 LEU 10 9.371 3.753 2.623 111 2HD1 LEU 10 2HD1 LEU 10 8.846 2.977 4.117 112 3HD1 LEU 10 3HD1 LEU 10 7.659 3.717 3.043 113 1HD2 LEU 10 1HD2 LEU 10 9.181 0.117 3.356 114 2HD2 LEU 10 2HD2 LEU 10 7.450 0.073 3.022 115 3HD2 LEU 10 3HD2 LEU 10 8.073 1.097 4.316 116 H GLY 11 H GLY 11 7.881 4.050 -1.946 117 1HA GLY 11 2HA GLY 11 9.594 2.113 -3.063 118 2HA GLY 11 1HA GLY 11 9.439 3.776 -3.607 Start of MODEL 18 1 1H ARG 1 1HT ARG 1 -3.320 4.544 5.041 2 2H ARG 1 2HT ARG 1 -3.210 3.692 6.498 3 3H ARG 1 3HT ARG 1 -4.622 4.543 6.121 4 HA ARG 1 HA ARG 1 -3.838 2.580 4.158 5 1HB ARG 1 2HB ARG 1 -3.186 1.408 6.188 6 2HB ARG 1 1HB ARG 1 -4.731 1.784 6.937 7 1HG ARG 1 2HG ARG 1 -5.876 0.409 5.272 8 2HG ARG 1 1HG ARG 1 -4.324 0.029 4.524 9 1HD ARG 1 2HD ARG 1 -3.577 -1.048 6.574 10 2HD ARG 1 1HD ARG 1 -5.092 -0.621 7.368 11 HE ARG 1 HE ARG 1 -5.986 -2.496 6.450 12 1HH1 ARG 1 1HH1 ARG 1 -3.350 -1.464 4.412 13 2HH1 ARG 1 2HH1 ARG 1 -3.522 -2.787 3.308 14 1HH2 ARG 1 1HH2 ARG 1 -6.213 -4.236 4.999 15 2HH2 ARG 1 2HH2 ARG 1 -5.146 -4.362 3.641 16 H ARG 2 H ARG 2 -5.558 2.093 2.922 17 HA ARG 2 HA ARG 2 -8.254 2.245 3.804 18 1HB ARG 2 2HB ARG 2 -9.019 4.126 2.476 19 2HB ARG 2 1HB ARG 2 -7.790 4.664 3.611 20 1HG ARG 2 2HG ARG 2 -7.262 4.056 0.711 21 2HG ARG 2 1HG ARG 2 -7.610 5.663 1.346 22 1HD ARG 2 2HD ARG 2 -5.632 5.508 2.791 23 2HD ARG 2 1HD ARG 2 -5.283 3.911 2.131 24 HE ARG 2 HE ARG 2 -4.269 4.961 0.390 25 1HH1 ARG 2 1HH1 ARG 2 -6.649 7.136 1.716 26 2HH1 ARG 2 2HH1 ARG 2 -6.287 8.414 0.604 27 1HH2 ARG 2 1HH2 ARG 2 -3.791 6.636 -1.079 28 2HH2 ARG 2 2HH2 ARG 2 -4.665 8.129 -0.985 29 H TRP 3 H TRP 3 -6.587 0.362 2.538 30 HA TRP 3 HA TRP 3 -8.285 -0.556 0.497 31 1HB TRP 3 2HB TRP 3 -6.632 -0.464 -1.403 32 2HB TRP 3 1HB TRP 3 -7.324 1.086 -0.949 33 HD1 TRP 3 HD TRP 3 -4.753 0.391 1.549 34 HE1 TRP 3 1HE TRP 3 -2.536 1.542 0.936 35 HE3 TRP 3 3HE TRP 3 -5.764 1.556 -3.321 36 HZ2 TRP 3 2HZ TRP 3 -1.377 2.759 -1.314 37 HZ3 TRP 3 3HZ TRP 3 -4.037 2.709 -4.640 38 HH2 TRP 3 HH TRP 3 -1.884 3.303 -3.653 39 H GLN 4 H GLN 4 -5.711 -1.738 -0.851 40 HA GLN 4 HA GLN 4 -4.877 -3.555 1.273 41 1HB GLN 4 2HB GLN 4 -6.052 -4.510 -1.342 42 2HB GLN 4 1HB GLN 4 -5.352 -5.535 -0.094 43 1HG GLN 4 2HG GLN 4 -7.092 -4.762 1.468 44 2HG GLN 4 1HG GLN 4 -7.813 -3.826 0.163 45 1HE2 GLN 4 1HE2 GLN 4 -9.513 -4.770 -0.682 46 2HE2 GLN 4 2HE2 GLN 4 -9.753 -6.471 -0.877 47 H TRP 5 H TRP 5 -3.212 -1.726 0.418 48 HA TRP 5 HA TRP 5 -1.695 -2.335 -1.893 49 1HB TRP 5 2HB TRP 5 -0.040 -0.782 -0.948 50 2HB TRP 5 1HB TRP 5 -1.668 -0.123 -0.830 51 HD1 TRP 5 HD TRP 5 -2.827 -0.840 1.777 52 HE1 TRP 5 1HE TRP 5 -1.700 -0.409 4.051 53 HE3 TRP 5 3HE TRP 5 2.022 -0.421 0.215 54 HZ2 TRP 5 2HZ TRP 5 0.900 0.050 5.049 55 HZ3 TRP 5 3HZ TRP 5 3.767 0.015 1.892 56 HH2 TRP 5 HH TRP 5 3.217 0.247 4.259 57 H ARG 6 H ARG 6 0.930 -2.140 -0.381 58 HA ARG 6 HA ARG 6 1.249 -4.464 1.190 59 1HB ARG 6 2HB ARG 6 2.562 -5.832 -0.391 60 2HB ARG 6 1HB ARG 6 0.879 -5.679 -0.872 61 1HG ARG 6 2HG ARG 6 1.480 -4.035 -2.546 62 2HG ARG 6 1HG ARG 6 3.164 -4.088 -2.022 63 1HD ARG 6 2HD ARG 6 3.238 -6.484 -2.622 64 2HD ARG 6 1HD ARG 6 1.584 -6.360 -3.222 65 HE ARG 6 HE ARG 6 3.124 -4.416 -4.509 66 1HH1 ARG 6 1HH1 ARG 6 2.850 -7.887 -4.345 67 2HH1 ARG 6 2HH1 ARG 6 3.434 -8.139 -5.955 68 1HH2 ARG 6 1HH2 ARG 6 3.897 -4.740 -6.630 69 2HH2 ARG 6 2HH2 ARG 6 4.029 -6.350 -7.253 70 H MET 7 H MET 7 2.968 -2.513 -1.243 71 HA MET 7 HA MET 7 4.675 -1.289 0.632 72 1HB MET 7 2HB MET 7 6.816 -2.365 -0.070 73 2HB MET 7 1HB MET 7 5.758 -3.417 0.857 74 1HG MET 7 2HG MET 7 5.012 -4.485 -1.214 75 2HG MET 7 1HG MET 7 6.088 -3.435 -2.135 76 1HE MET 7 1HE MET 7 6.439 -7.020 -2.123 77 2HE MET 7 2HE MET 7 8.018 -6.532 -2.739 78 3HE MET 7 3HE MET 7 6.578 -5.615 -3.180 79 H LYS 8 H LYS 8 3.058 -0.814 -1.812 80 HA LYS 8 HA LYS 8 4.968 0.016 -3.816 81 1HB LYS 8 2HB LYS 8 1.982 0.456 -3.608 82 2HB LYS 8 1HB LYS 8 2.967 0.925 -4.986 83 1HG LYS 8 2HG LYS 8 2.500 -1.880 -3.992 84 2HG LYS 8 1HG LYS 8 1.821 -1.149 -5.447 85 1HD LYS 8 2HD LYS 8 4.751 -1.654 -4.913 86 2HD LYS 8 1HD LYS 8 3.715 -2.599 -5.984 87 1HE LYS 8 2HE LYS 8 4.404 0.321 -6.312 88 2HE LYS 8 1HE LYS 8 5.100 -1.012 -7.232 89 1HZ LYS 8 1HZ LYS 8 2.261 -0.141 -7.245 90 2HZ LYS 8 2HZ LYS 8 2.839 -1.516 -8.041 91 3HZ LYS 8 3HZ LYS 8 3.375 0.018 -8.509 92 H LYS 9 H LYS 9 3.006 1.454 -1.299 93 HA LYS 9 HA LYS 9 3.308 4.154 -1.902 94 1HB LYS 9 2HB LYS 9 3.204 2.893 0.847 95 2HB LYS 9 1HB LYS 9 2.837 4.570 0.462 96 1HG LYS 9 2HG LYS 9 0.920 3.885 -0.847 97 2HG LYS 9 1HG LYS 9 1.307 2.188 -0.565 98 1HD LYS 9 2HD LYS 9 -0.424 2.744 0.955 99 2HD LYS 9 1HD LYS 9 1.062 2.664 1.902 100 1HE LYS 9 2HE LYS 9 -0.152 5.207 0.830 101 2HE LYS 9 1HE LYS 9 -0.396 4.598 2.465 102 1HZ LYS 9 1HZ LYS 9 2.244 4.595 2.371 103 2HZ LYS 9 2HZ LYS 9 1.355 5.949 2.858 104 3HZ LYS 9 3HZ LYS 9 1.950 5.852 1.278 105 H LEU 10 H LEU 10 5.447 1.921 -0.239 106 HA LEU 10 HA LEU 10 7.309 3.747 0.771 107 1HB LEU 10 2HB LEU 10 7.521 0.875 -0.054 108 2HB LEU 10 1HB LEU 10 8.920 1.747 0.521 109 HG LEU 10 HG LEU 10 7.703 2.182 2.615 110 1HD1 LEU 10 1HD1 LEU 10 5.427 1.838 1.497 111 2HD1 LEU 10 2HD1 LEU 10 5.645 1.237 3.140 112 3HD1 LEU 10 3HD1 LEU 10 5.712 0.121 1.776 113 1HD2 LEU 10 1HD2 LEU 10 7.661 -0.352 3.272 114 2HD2 LEU 10 2HD2 LEU 10 9.178 0.454 2.874 115 3HD2 LEU 10 3HD2 LEU 10 8.371 -0.550 1.670 116 H GLY 11 H GLY 11 8.948 4.869 -0.095 117 1HA GLY 11 2HA GLY 11 10.356 4.177 -2.424 118 2HA GLY 11 1HA GLY 11 9.088 5.311 -2.862 Start of MODEL 19 1 1H ARG 1 1HT ARG 1 -8.175 -1.148 5.064 2 2H ARG 1 2HT ARG 1 -9.093 -0.375 6.256 3 3H ARG 1 3HT ARG 1 -7.656 -1.163 6.674 4 HA ARG 1 HA ARG 1 -7.536 1.329 6.546 5 1HB ARG 1 2HB ARG 1 -5.655 -0.436 6.375 6 2HB ARG 1 1HB ARG 1 -5.669 -0.094 4.651 7 1HG ARG 1 2HG ARG 1 -5.210 2.283 5.165 8 2HG ARG 1 1HG ARG 1 -5.082 1.853 6.869 9 1HD ARG 1 2HD ARG 1 -3.352 0.787 4.637 10 2HD ARG 1 1HD ARG 1 -2.883 2.016 5.807 11 HE ARG 1 HE ARG 1 -2.594 0.368 7.400 12 1HH1 ARG 1 1HH1 ARG 1 -4.020 -0.993 4.522 13 2HH1 ARG 1 2HH1 ARG 1 -3.824 -2.631 5.047 14 1HH2 ARG 1 1HH2 ARG 1 -2.332 -1.788 8.091 15 2HH2 ARG 1 2HH2 ARG 1 -2.868 -3.082 7.073 16 H ARG 2 H ARG 2 -5.983 1.890 3.940 17 HA ARG 2 HA ARG 2 -8.160 3.170 2.581 18 1HB ARG 2 2HB ARG 2 -5.948 4.238 2.787 19 2HB ARG 2 1HB ARG 2 -5.240 2.953 1.817 20 1HG ARG 2 2HG ARG 2 -6.639 3.629 -0.081 21 2HG ARG 2 1HG ARG 2 -7.310 4.937 0.895 22 1HD ARG 2 2HD ARG 2 -5.072 5.900 1.134 23 2HD ARG 2 1HD ARG 2 -4.405 4.594 0.156 24 HE ARG 2 HE ARG 2 -5.001 5.800 -1.674 25 1HH1 ARG 2 1HH1 ARG 2 -7.138 6.693 0.935 26 2HH1 ARG 2 2HH1 ARG 2 -8.008 7.858 -0.008 27 1HH2 ARG 2 1HH2 ARG 2 -6.141 7.329 -2.915 28 2HH2 ARG 2 2HH2 ARG 2 -7.441 8.220 -2.195 29 H TRP 3 H TRP 3 -6.073 0.403 2.013 30 HA TRP 3 HA TRP 3 -7.941 -0.827 0.263 31 1HB TRP 3 2HB TRP 3 -6.425 -0.884 -1.749 32 2HB TRP 3 1HB TRP 3 -7.131 0.688 -1.409 33 HD1 TRP 3 HD TRP 3 -4.289 0.069 0.900 34 HE1 TRP 3 1HE TRP 3 -2.215 1.363 0.096 35 HE3 TRP 3 3HE TRP 3 -5.890 1.340 -3.784 36 HZ2 TRP 3 2HZ TRP 3 -1.381 2.729 -2.213 37 HZ3 TRP 3 3HZ TRP 3 -4.382 2.636 -5.231 38 HH2 TRP 3 HH TRP 3 -2.170 3.320 -4.460 39 H GLN 4 H GLN 4 -5.273 -1.912 -1.097 40 HA GLN 4 HA GLN 4 -4.162 -3.477 1.062 41 1HB GLN 4 2HB GLN 4 -4.669 -5.643 -0.059 42 2HB GLN 4 1HB GLN 4 -6.096 -4.826 0.562 43 1HG GLN 4 2HG GLN 4 -6.587 -4.002 -1.698 44 2HG GLN 4 1HG GLN 4 -5.183 -4.879 -2.305 45 1HE2 GLN 4 1HE2 GLN 4 -5.669 -6.727 -3.229 46 2HE2 GLN 4 2HE2 GLN 4 -6.984 -7.766 -2.814 47 H TRP 5 H TRP 5 -2.739 -1.729 -0.132 48 HA TRP 5 HA TRP 5 -1.566 -2.240 -2.607 49 1HB TRP 5 2HB TRP 5 0.283 -0.789 -1.785 50 2HB TRP 5 1HB TRP 5 -1.313 -0.102 -1.510 51 HD1 TRP 5 HD TRP 5 -2.241 -0.980 1.181 52 HE1 TRP 5 1HE TRP 5 -0.924 -0.579 3.355 53 HE3 TRP 5 3HE TRP 5 2.426 -0.321 -0.802 54 HZ2 TRP 5 2HZ TRP 5 1.736 -0.048 4.128 55 HZ3 TRP 5 3HZ TRP 5 4.300 0.133 0.724 56 HH2 TRP 5 HH TRP 5 3.961 0.268 3.138 57 H ARG 6 H ARG 6 1.268 -2.165 -1.750 58 HA ARG 6 HA ARG 6 1.694 -4.824 -0.625 59 1HB ARG 6 2HB ARG 6 2.672 -4.004 -3.365 60 2HB ARG 6 1HB ARG 6 3.229 -5.428 -2.500 61 1HG ARG 6 2HG ARG 6 0.375 -4.927 -3.319 62 2HG ARG 6 1HG ARG 6 1.526 -5.922 -4.212 63 1HD ARG 6 2HD ARG 6 1.763 -7.384 -2.253 64 2HD ARG 6 1HD ARG 6 0.592 -6.394 -1.382 65 HE ARG 6 HE ARG 6 -0.579 -7.255 -3.773 66 1HH1 ARG 6 1HH1 ARG 6 0.541 -8.564 -0.744 67 2HH1 ARG 6 2HH1 ARG 6 -0.581 -9.883 -0.752 68 1HH2 ARG 6 1HH2 ARG 6 -2.060 -8.987 -3.790 69 2HH2 ARG 6 2HH2 ARG 6 -2.061 -10.123 -2.482 70 H MET 7 H MET 7 3.525 -2.271 -2.337 71 HA MET 7 HA MET 7 4.937 -1.413 -0.060 72 1HB MET 7 2HB MET 7 7.171 -2.333 -0.578 73 2HB MET 7 1HB MET 7 6.016 -3.581 -0.132 74 1HG MET 7 2HG MET 7 5.711 -4.151 -2.482 75 2HG MET 7 1HG MET 7 6.853 -2.888 -2.938 76 1HE MET 7 1HE MET 7 7.795 -6.809 -0.767 77 2HE MET 7 2HE MET 7 6.252 -5.958 -0.825 78 3HE MET 7 3HE MET 7 7.523 -5.406 0.265 79 H LYS 8 H LYS 8 3.626 -0.339 -2.401 80 HA LYS 8 HA LYS 8 5.748 0.789 -4.028 81 1HB LYS 8 2HB LYS 8 3.948 1.891 -5.266 82 2HB LYS 8 1HB LYS 8 3.633 0.169 -5.099 83 1HG LYS 8 2HG LYS 8 2.055 0.624 -3.295 84 2HG LYS 8 1HG LYS 8 2.387 2.351 -3.437 85 1HD LYS 8 2HD LYS 8 1.229 0.604 -5.608 86 2HD LYS 8 1HD LYS 8 0.311 1.709 -4.583 87 1HE LYS 8 2HE LYS 8 1.600 3.593 -5.462 88 2HE LYS 8 1HE LYS 8 2.526 2.490 -6.479 89 1HZ LYS 8 1HZ LYS 8 0.690 2.064 -7.818 90 2HZ LYS 8 2HZ LYS 8 0.567 3.725 -7.520 91 3HZ LYS 8 3HZ LYS 8 -0.417 2.640 -6.676 92 H LYS 9 H LYS 9 3.452 1.805 -1.562 93 HA LYS 9 HA LYS 9 3.992 4.557 -1.608 94 1HB LYS 9 2HB LYS 9 2.048 3.642 -0.466 95 2HB LYS 9 1HB LYS 9 3.084 2.790 0.670 96 1HG LYS 9 2HG LYS 9 3.886 4.929 1.542 97 2HG LYS 9 1HG LYS 9 2.842 5.779 0.402 98 1HD LYS 9 2HD LYS 9 1.806 5.684 2.603 99 2HD LYS 9 1HD LYS 9 0.876 4.739 1.438 100 1HE LYS 9 2HE LYS 9 1.092 3.569 3.574 101 2HE LYS 9 1HE LYS 9 1.891 2.688 2.272 102 1HZ LYS 9 1HZ LYS 9 3.958 3.144 3.110 103 2HZ LYS 9 2HZ LYS 9 3.074 3.047 4.548 104 3HZ LYS 9 3HZ LYS 9 3.467 4.558 3.898 105 H LEU 10 H LEU 10 5.431 1.933 0.279 106 HA LEU 10 HA LEU 10 7.144 3.504 1.849 107 1HB LEU 10 2HB LEU 10 6.650 1.171 2.362 108 2HB LEU 10 1HB LEU 10 7.472 0.657 0.901 109 HG LEU 10 HG LEU 10 9.604 1.497 1.816 110 1HD1 LEU 10 1HD1 LEU 10 9.673 2.890 3.536 111 2HD1 LEU 10 2HD1 LEU 10 8.878 1.699 4.565 112 3HD1 LEU 10 3HD1 LEU 10 7.912 2.841 3.631 113 1HD2 LEU 10 1HD2 LEU 10 8.197 -0.794 2.537 114 2HD2 LEU 10 2HD2 LEU 10 8.873 -0.180 4.046 115 3HD2 LEU 10 3HD2 LEU 10 9.933 -0.523 2.679 116 H GLY 11 H GLY 11 7.710 1.853 -1.247 117 1HA GLY 11 2HA GLY 11 10.414 2.597 -1.525 118 2HA GLY 11 1HA GLY 11 9.345 2.123 -2.836 Start of MODEL 20 1 1H ARG 1 1HT ARG 1 -9.090 0.322 6.841 2 2H ARG 1 2HT ARG 1 -8.013 -0.476 7.871 3 3H ARG 1 3HT ARG 1 -8.606 -1.262 6.496 4 HA ARG 1 HA ARG 1 -6.615 0.891 6.692 5 1HB ARG 1 2HB ARG 1 -5.947 -1.502 6.645 6 2HB ARG 1 1HB ARG 1 -6.750 -1.674 5.095 7 1HG ARG 1 2HG ARG 1 -4.454 -1.464 4.641 8 2HG ARG 1 1HG ARG 1 -5.196 0.074 4.198 9 1HD ARG 1 2HD ARG 1 -3.909 -0.405 6.872 10 2HD ARG 1 1HD ARG 1 -3.013 0.179 5.475 11 HE ARG 1 HE ARG 1 -5.199 1.854 5.781 12 1HH1 ARG 1 1HH1 ARG 1 -2.360 0.954 7.584 13 2HH1 ARG 1 2HH1 ARG 1 -2.222 2.485 8.381 14 1HH2 ARG 1 1HH2 ARG 1 -5.029 3.876 6.829 15 2HH2 ARG 1 2HH2 ARG 1 -3.739 4.145 7.954 16 H ARG 2 H ARG 2 -6.121 2.163 4.895 17 HA ARG 2 HA ARG 2 -8.179 3.164 3.367 18 1HB ARG 2 2HB ARG 2 -6.008 4.284 3.697 19 2HB ARG 2 1HB ARG 2 -5.237 3.097 2.660 20 1HG ARG 2 2HG ARG 2 -7.486 4.762 1.614 21 2HG ARG 2 1HG ARG 2 -5.854 5.424 1.715 22 1HD ARG 2 2HD ARG 2 -5.033 3.536 0.366 23 2HD ARG 2 1HD ARG 2 -6.683 2.931 0.232 24 HE ARG 2 HE ARG 2 -6.955 4.378 -1.494 25 1HH1 ARG 2 1HH1 ARG 2 -4.528 5.699 0.632 26 2HH1 ARG 2 2HH1 ARG 2 -4.251 7.100 -0.350 27 1HH2 ARG 2 1HH2 ARG 2 -6.592 6.215 -2.789 28 2HH2 ARG 2 2HH2 ARG 2 -5.422 7.392 -2.292 29 H TRP 3 H TRP 3 -6.087 0.435 2.729 30 HA TRP 3 HA TRP 3 -7.899 -0.709 0.886 31 1HB TRP 3 2HB TRP 3 -6.358 -0.702 -1.106 32 2HB TRP 3 1HB TRP 3 -7.075 0.855 -0.725 33 HD1 TRP 3 HD TRP 3 -4.310 0.316 1.637 34 HE1 TRP 3 1HE TRP 3 -2.190 1.531 0.837 35 HE3 TRP 3 3HE TRP 3 -5.724 1.342 -3.165 36 HZ2 TRP 3 2HZ TRP 3 -1.248 2.739 -1.515 37 HZ3 TRP 3 3HZ TRP 3 -4.145 2.531 -4.630 38 HH2 TRP 3 HH TRP 3 -1.948 3.218 -3.818 39 H GLN 4 H GLN 4 -5.482 -1.966 -0.553 40 HA GLN 4 HA GLN 4 -4.345 -3.545 1.620 41 1HB GLN 4 2HB GLN 4 -5.772 -4.791 -0.737 42 2HB GLN 4 1HB GLN 4 -4.931 -5.658 0.541 43 1HG GLN 4 2HG GLN 4 -6.526 -4.776 2.173 44 2HG GLN 4 1HG GLN 4 -7.375 -3.940 0.879 45 1HE2 GLN 4 1HE2 GLN 4 -6.289 -6.749 -0.426 46 2HE2 GLN 4 2HE2 GLN 4 -7.675 -7.746 -0.166 47 H TRP 5 H TRP 5 -2.826 -1.807 0.460 48 HA TRP 5 HA TRP 5 -1.627 -2.455 -1.995 49 1HB TRP 5 2HB TRP 5 0.172 -0.932 -1.277 50 2HB TRP 5 1HB TRP 5 -1.420 -0.251 -0.970 51 HD1 TRP 5 HD TRP 5 -2.273 -0.834 1.766 52 HE1 TRP 5 1HE TRP 5 -0.859 -0.419 3.879 53 HE3 TRP 5 3HE TRP 5 2.377 -0.702 -0.368 54 HZ2 TRP 5 2HZ TRP 5 1.863 -0.078 4.551 55 HZ3 TRP 5 3HZ TRP 5 4.330 -0.326 1.080 56 HH2 TRP 5 HH TRP 5 4.078 -0.022 3.486 57 H ARG 6 H ARG 6 1.191 -2.296 -0.838 58 HA ARG 6 HA ARG 6 1.665 -4.695 0.594 59 1HB ARG 6 2HB ARG 6 2.784 -5.949 -1.247 60 2HB ARG 6 1HB ARG 6 1.041 -5.812 -1.437 61 1HG ARG 6 2HG ARG 6 1.458 -3.888 -2.988 62 2HG ARG 6 1HG ARG 6 3.176 -4.290 -2.910 63 1HD ARG 6 2HD ARG 6 2.178 -5.295 -4.875 64 2HD ARG 6 1HD ARG 6 2.662 -6.550 -3.736 65 HE ARG 6 HE ARG 6 -0.008 -5.918 -3.232 66 1HH1 ARG 6 1HH1 ARG 6 1.917 -7.338 -5.769 67 2HH1 ARG 6 2HH1 ARG 6 0.633 -8.341 -6.356 68 1HH2 ARG 6 1HH2 ARG 6 -1.701 -7.233 -4.001 69 2HH2 ARG 6 2HH2 ARG 6 -1.424 -8.280 -5.352 70 H MET 7 H MET 7 3.116 -2.606 -1.905 71 HA MET 7 HA MET 7 5.042 -1.514 -0.172 72 1HB MET 7 2HB MET 7 7.075 -2.553 -1.085 73 2HB MET 7 1HB MET 7 6.065 -3.721 -0.249 74 1HG MET 7 2HG MET 7 5.245 -4.573 -2.356 75 2HG MET 7 1HG MET 7 6.153 -3.344 -3.234 76 1HE MET 7 1HE MET 7 6.728 -5.454 -0.227 77 2HE MET 7 2HE MET 7 8.319 -6.182 -0.452 78 3HE MET 7 3HE MET 7 6.889 -6.959 -1.133 79 H LYS 8 H LYS 8 3.192 -0.661 -2.185 80 HA LYS 8 HA LYS 8 4.785 0.149 -4.469 81 1HB LYS 8 2HB LYS 8 2.429 -0.478 -4.786 82 2HB LYS 8 1HB LYS 8 1.934 0.825 -3.714 83 1HG LYS 8 2HG LYS 8 1.600 1.482 -6.003 84 2HG LYS 8 1HG LYS 8 2.892 2.454 -5.292 85 1HD LYS 8 2HD LYS 8 4.559 1.002 -6.354 86 2HD LYS 8 1HD LYS 8 3.261 0.045 -7.073 87 1HE LYS 8 2HE LYS 8 2.479 2.042 -8.275 88 2HE LYS 8 1HE LYS 8 3.808 2.968 -7.580 89 1HZ LYS 8 1HZ LYS 8 4.546 2.342 -9.686 90 2HZ LYS 8 2HZ LYS 8 3.943 0.768 -9.550 91 3HZ LYS 8 3HZ LYS 8 5.298 1.235 -8.652 92 H LYS 9 H LYS 9 3.174 1.633 -1.699 93 HA LYS 9 HA LYS 9 4.462 4.195 -2.286 94 1HB LYS 9 2HB LYS 9 2.999 5.052 -0.450 95 2HB LYS 9 1HB LYS 9 2.117 4.360 -1.805 96 1HG LYS 9 2HG LYS 9 1.815 2.283 -0.530 97 2HG LYS 9 1HG LYS 9 2.663 3.014 0.834 98 1HD LYS 9 2HD LYS 9 0.951 4.712 1.035 99 2HD LYS 9 1HD LYS 9 0.131 4.097 -0.401 100 1HE LYS 9 2HE LYS 9 -0.284 1.976 0.750 101 2HE LYS 9 1HE LYS 9 0.542 2.591 2.182 102 1HZ LYS 9 1HZ LYS 9 -1.968 2.716 2.172 103 2HZ LYS 9 2HZ LYS 9 -1.820 3.948 1.023 104 3HZ LYS 9 3HZ LYS 9 -1.151 4.146 2.564 105 H LEU 10 H LEU 10 6.144 2.082 -1.458 106 HA LEU 10 HA LEU 10 6.687 2.135 1.314 107 1HB LEU 10 2HB LEU 10 7.465 0.326 -0.117 108 2HB LEU 10 1HB LEU 10 8.482 1.441 -1.011 109 HG LEU 10 HG LEU 10 9.851 1.810 1.000 110 1HD1 LEU 10 1HD1 LEU 10 7.926 -0.147 2.226 111 2HD1 LEU 10 2HD1 LEU 10 8.323 1.481 2.772 112 3HD1 LEU 10 3HD1 LEU 10 9.517 0.191 2.906 113 1HD2 LEU 10 1HD2 LEU 10 9.991 -0.251 -0.697 114 2HD2 LEU 10 2HD2 LEU 10 9.771 -1.139 0.810 115 3HD2 LEU 10 3HD2 LEU 10 11.126 -0.024 0.633 116 H GLY 11 H GLY 11 7.850 3.485 2.547 117 1HA GLY 11 2HA GLY 11 9.990 5.079 1.721 118 2HA GLY 11 1HA GLY 11 8.535 6.056 1.602
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