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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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3188 |
1d9o ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 1H LYS 1 12.089 5.224 -2.285 2 2H LYS 1 2H LYS 1 12.467 5.088 -0.634 3 3H LYS 1 3H LYS 1 12.326 6.621 -1.354 4 HA LYS 1 HA LYS 1 10.333 6.229 -0.103 5 1HB LYS 1 2HB LYS 1 10.377 6.154 -3.099 6 2HB LYS 1 1HB LYS 1 8.815 6.030 -2.288 7 1HG LYS 1 2HG LYS 1 10.206 8.094 -0.960 8 2HG LYS 1 1HG LYS 1 10.467 8.367 -2.684 9 1HD LYS 1 2HD LYS 1 8.409 9.291 -2.735 10 2HD LYS 1 1HD LYS 1 7.771 7.663 -2.507 11 1HE LYS 1 2HE LYS 1 8.570 8.513 0.064 12 2HE LYS 1 1HE LYS 1 7.718 9.892 -0.658 13 1HZ LYS 1 1HZ LYS 1 5.811 8.709 -0.920 14 2HZ LYS 1 2HZ LYS 1 6.416 7.885 0.438 15 3HZ LYS 1 3HZ LYS 1 6.611 7.227 -1.117 16 H ALA 2 H ALA 2 10.083 3.931 -2.828 17 HA ALA 2 HA ALA 2 8.626 2.032 -1.093 18 1HB ALA 2 1HB ALA 2 9.001 2.631 -3.954 19 2HB ALA 2 2HB ALA 2 7.588 1.983 -3.121 20 3HB ALA 2 3HB ALA 2 8.903 0.906 -3.596 21 H LYS 3 H LYS 3 11.085 2.074 -0.030 22 HA LYS 3 HA LYS 3 12.321 -0.467 -0.997 23 1HB LYS 3 2HB LYS 3 14.547 0.783 -0.422 24 2HB LYS 3 1HB LYS 3 13.743 1.160 -1.945 25 1HG LYS 3 2HG LYS 3 12.968 3.219 -1.185 26 2HG LYS 3 1HG LYS 3 13.037 2.735 0.510 27 1HD LYS 3 2HD LYS 3 15.238 3.295 0.715 28 2HD LYS 3 1HD LYS 3 15.636 2.723 -0.905 29 1HE LYS 3 2HE LYS 3 14.448 4.773 -1.823 30 2HE LYS 3 1HE LYS 3 14.366 5.375 -0.155 31 1HZ LYS 3 1HZ LYS 3 16.445 5.888 -1.641 32 2HZ LYS 3 2HZ LYS 3 16.920 4.331 -1.154 33 3HZ LYS 3 3HZ LYS 3 16.628 5.535 0.008 34 H LEU 4 H LEU 4 10.602 -0.401 1.152 35 HA LEU 4 HA LEU 4 12.447 -0.737 3.483 36 1HB LEU 4 2HB LEU 4 9.828 0.712 3.200 37 2HB LEU 4 1HB LEU 4 10.319 0.068 4.768 38 HG LEU 4 HG LEU 4 12.094 1.853 3.091 39 1HD1 LEU 4 1HD1 LEU 4 10.787 2.899 5.545 40 2HD1 LEU 4 2HD1 LEU 4 9.748 2.716 4.132 41 3HD1 LEU 4 3HD1 LEU 4 11.188 3.730 4.043 42 1HD2 LEU 4 1HD2 LEU 4 12.221 1.517 6.067 43 2HD2 LEU 4 2HD2 LEU 4 13.521 1.861 4.926 44 3HD2 LEU 4 3HD2 LEU 4 12.861 0.230 5.045 45 H PHE 5 H PHE 5 8.990 -1.156 3.234 46 HA PHE 5 HA PHE 5 9.035 -3.814 4.383 47 1HB PHE 5 2HB PHE 5 7.242 -1.797 4.154 48 2HB PHE 5 1HB PHE 5 6.688 -2.827 2.834 49 HD1 PHE 5 HD1 PHE 5 4.862 -4.109 3.494 50 HD2 PHE 5 HD2 PHE 5 8.109 -3.517 6.243 51 HE1 PHE 5 HE1 PHE 5 3.748 -5.602 5.132 52 HE2 PHE 5 HE2 PHE 5 6.997 -5.013 7.879 53 HZ PHE 5 HZ PHE 5 4.816 -6.056 7.323 54 H LYS 6 H LYS 6 7.074 -5.081 2.690 55 HA LYS 6 HA LYS 6 8.599 -5.506 0.144 56 1HB LYS 6 2HB LYS 6 8.437 -7.898 0.508 57 2HB LYS 6 1HB LYS 6 9.107 -7.177 1.971 58 1HG LYS 6 2HG LYS 6 6.987 -7.287 3.097 59 2HG LYS 6 1HG LYS 6 6.153 -7.731 1.607 60 1HD LYS 6 2HD LYS 6 6.448 -9.760 2.861 61 2HD LYS 6 1HD LYS 6 7.614 -9.806 1.537 62 1HE LYS 6 2HE LYS 6 9.035 -10.343 3.295 63 2HE LYS 6 1HE LYS 6 9.141 -8.574 3.391 64 1HZ LYS 6 1HZ LYS 6 7.267 -10.325 4.892 65 2HZ LYS 6 2HZ LYS 6 7.192 -8.628 4.884 66 3HZ LYS 6 3HZ LYS 6 8.544 -9.419 5.543 67 H LYS 7 H LYS 7 6.013 -4.087 0.854 68 HA LYS 7 HA LYS 7 4.322 -5.502 -1.149 69 1HB LYS 7 2HB LYS 7 3.632 -4.779 1.706 70 2HB LYS 7 1HB LYS 7 2.382 -5.035 0.490 71 1HG LYS 7 2HG LYS 7 3.511 -7.283 0.011 72 2HG LYS 7 1HG LYS 7 4.426 -7.022 1.497 73 1HD LYS 7 2HD LYS 7 2.209 -6.674 2.679 74 2HD LYS 7 1HD LYS 7 1.420 -7.233 1.205 75 1HE LYS 7 2HE LYS 7 2.071 -9.418 1.526 76 2HE LYS 7 1HE LYS 7 3.609 -8.954 2.281 77 1HZ LYS 7 1HZ LYS 7 1.109 -8.225 3.631 78 2HZ LYS 7 2HZ LYS 7 2.629 -8.592 4.297 79 3HZ LYS 7 3HZ LYS 7 1.622 -9.838 3.730 80 H ILE 8 H ILE 8 4.209 -3.868 -2.681 81 HA ILE 8 HA ILE 8 3.396 -1.147 -1.714 82 HB ILE 8 HB ILE 8 5.181 -1.826 -4.069 83 1HG1 ILE 8 2HG1 ILE 8 5.755 -1.326 -1.165 84 2HG1 ILE 8 1HG1 ILE 8 6.539 -2.443 -2.276 85 1HG2 ILE 8 1HG2 ILE 8 3.785 0.388 -3.849 86 2HG2 ILE 8 2HG2 ILE 8 5.485 0.481 -4.307 87 3HG2 ILE 8 3HG2 ILE 8 5.001 0.816 -2.645 88 1HD1 ILE 8 1HD1 ILE 8 7.029 0.481 -1.871 89 2HD1 ILE 8 2HD1 ILE 8 7.261 -0.183 -3.489 90 3HD1 ILE 8 3HD1 ILE 8 8.187 -0.823 -2.131 91 H GLY 9 H GLY 9 3.019 -3.699 -4.099 92 1HA GLY 9 2HA GLY 9 1.002 -2.059 -5.553 93 2HA GLY 9 1HA GLY 9 1.734 -3.541 -6.167 94 H ILE 10 H ILE 10 1.135 -4.200 -3.023 95 HA ILE 10 HA ILE 10 -1.558 -5.347 -3.659 96 HB ILE 10 HB ILE 10 0.514 -6.306 -1.673 97 1HG1 ILE 10 2HG1 ILE 10 0.135 -6.945 -4.606 98 2HG1 ILE 10 1HG1 ILE 10 1.602 -6.386 -3.804 99 1HG2 ILE 10 1HG2 ILE 10 -0.842 -8.128 -1.367 100 2HG2 ILE 10 2HG2 ILE 10 -1.421 -8.108 -3.034 101 3HG2 ILE 10 3HG2 ILE 10 -2.093 -6.984 -1.851 102 1HD1 ILE 10 1HD1 ILE 10 2.145 -8.595 -3.749 103 2HD1 ILE 10 2HD1 ILE 10 0.472 -9.107 -3.973 104 3HD1 ILE 10 3HD1 ILE 10 1.046 -8.647 -2.370 105 H GLY 11 H GLY 11 0.014 -3.046 -1.769 106 1HA GLY 11 2HA GLY 11 -1.963 -3.318 0.442 107 2HA GLY 11 1HA GLY 11 -0.467 -2.393 0.548 108 H LYS 12 H LYS 12 -1.267 -1.511 -2.349 109 HA LYS 12 HA LYS 12 -2.375 1.040 -1.587 110 1HB LYS 12 2HB LYS 12 -2.477 1.330 -4.065 111 2HB LYS 12 1HB LYS 12 -0.918 0.709 -3.524 112 1HG LYS 12 2HG LYS 12 -1.237 -0.913 -5.080 113 2HG LYS 12 1HG LYS 12 -2.356 -1.607 -3.908 114 1HD LYS 12 2HD LYS 12 -3.475 -1.410 -6.066 115 2HD LYS 12 1HD LYS 12 -4.198 -0.268 -4.932 116 1HE LYS 12 2HE LYS 12 -2.435 1.421 -5.897 117 2HE LYS 12 1HE LYS 12 -2.374 0.290 -7.263 118 1HZ LYS 12 1HZ LYS 12 -4.618 1.899 -6.284 119 2HZ LYS 12 2HZ LYS 12 -4.968 0.363 -6.921 120 3HZ LYS 12 3HZ LYS 12 -4.176 1.523 -7.878 121 H PHE 13 H PHE 13 -3.772 -1.982 -2.752 122 HA PHE 13 HA PHE 13 -6.357 -0.994 -3.481 123 1HB PHE 13 2HB PHE 13 -5.257 -3.225 -3.984 124 2HB PHE 13 1HB PHE 13 -5.636 -3.692 -2.331 125 HD1 PHE 13 HD1 PHE 13 -7.726 -4.604 -1.816 126 HD2 PHE 13 HD2 PHE 13 -7.243 -2.346 -5.436 127 HE1 PHE 13 HE1 PHE 13 -10.027 -5.216 -2.502 128 HE2 PHE 13 HE2 PHE 13 -9.545 -2.957 -6.124 129 HZ PHE 13 HZ PHE 13 -10.938 -4.392 -4.657 130 H LEU 14 H LEU 14 -5.593 -2.937 -0.643 131 HA LEU 14 HA LEU 14 -7.903 -2.393 0.854 132 1HB LEU 14 2HB LEU 14 -5.045 -2.870 1.751 133 2HB LEU 14 1HB LEU 14 -6.454 -3.019 2.802 134 HG LEU 14 HG LEU 14 -6.393 -4.536 0.211 135 1HD1 LEU 14 1HD1 LEU 14 -4.610 -4.926 2.523 136 2HD1 LEU 14 2HD1 LEU 14 -4.487 -5.577 0.888 137 3HD1 LEU 14 3HD1 LEU 14 -5.524 -6.367 2.076 138 1HD2 LEU 14 1HD2 LEU 14 -7.784 -4.640 2.859 139 2HD2 LEU 14 2HD2 LEU 14 -7.536 -6.159 1.996 140 3HD2 LEU 14 3HD2 LEU 14 -8.446 -4.852 1.238 141 H HIS 15 H HIS 15 -5.115 -0.418 0.293 142 HA HIS 15 HA HIS 15 -5.594 1.490 2.454 143 1HB HIS 15 2HB HIS 15 -3.445 0.908 1.093 144 2HB HIS 15 1HB HIS 15 -4.091 2.020 -0.107 145 HD1 HIS 15 HD1 HIS 15 -3.423 4.386 0.226 146 HD2 HIS 15 HD2 HIS 15 -3.392 2.282 3.823 147 HE1 HIS 15 HE1 HIS 15 -2.604 6.003 1.993 148 H SER 16 H SER 16 -5.940 1.642 -1.098 149 HA SER 16 HA SER 16 -7.302 4.146 -1.181 150 1HB SER 16 2HB SER 16 -6.984 1.756 -2.960 151 2HB SER 16 1HB SER 16 -8.119 3.019 -3.430 152 HG SER 16 HG SER 16 -5.526 3.693 -2.583 153 H ALA 17 H ALA 17 -8.457 0.849 -0.897 154 HA ALA 17 HA ALA 17 -11.241 1.227 -1.211 155 1HB ALA 17 1HB ALA 17 -11.153 -0.979 -0.709 156 2HB ALA 17 2HB ALA 17 -10.579 -0.631 0.922 157 3HB ALA 17 3HB ALA 17 -9.428 -0.777 -0.407 158 H LYS 18 H LYS 18 -9.375 1.243 1.859 159 HA LYS 18 HA LYS 18 -11.614 2.233 3.415 160 1HB LYS 18 2HB LYS 18 -9.410 0.885 4.010 161 2HB LYS 18 1HB LYS 18 -8.741 2.504 4.229 162 1HG LYS 18 2HG LYS 18 -10.746 2.999 5.716 163 2HG LYS 18 1HG LYS 18 -11.100 1.272 5.666 164 1HD LYS 18 2HD LYS 18 -9.703 1.120 7.444 165 2HD LYS 18 1HD LYS 18 -8.410 1.296 6.258 166 1HE LYS 18 2HE LYS 18 -9.648 3.840 7.156 167 2HE LYS 18 1HE LYS 18 -8.692 2.975 8.376 168 1HZ LYS 18 1HZ LYS 18 -7.012 2.653 6.511 169 2HZ LYS 18 2HZ LYS 18 -7.122 4.209 7.186 170 3HZ LYS 18 3HZ LYS 18 -7.848 3.875 5.686 171 H LYS 19 H LYS 19 -9.248 3.680 1.409 172 HA LYS 19 HA LYS 19 -8.938 6.258 2.590 173 1HB LYS 19 2HB LYS 19 -7.965 4.935 0.441 174 2HB LYS 19 1HB LYS 19 -9.133 5.979 -0.370 175 1HG LYS 19 2HG LYS 19 -7.150 7.066 1.633 176 2HG LYS 19 1HG LYS 19 -6.760 6.919 -0.082 177 1HD LYS 19 2HD LYS 19 -9.305 8.276 0.764 178 2HD LYS 19 1HD LYS 19 -7.781 9.165 0.801 179 1HE LYS 19 2HE LYS 19 -8.727 7.654 -1.655 180 2HE LYS 19 1HE LYS 19 -9.072 9.374 -1.384 181 1HZ LYS 19 1HZ LYS 19 -6.491 8.043 -1.813 182 2HZ LYS 19 2HZ LYS 19 -6.534 9.415 -0.812 183 3HZ LYS 19 3HZ LYS 19 -7.053 9.521 -2.427 184 H PHE 20 H PHE 20 -11.058 5.376 -0.154 185 HA PHE 20 HA PHE 20 -12.697 7.780 0.242 186 1HB PHE 20 2HB PHE 20 -12.346 7.204 -2.005 187 2HB PHE 20 1HB PHE 20 -12.496 5.477 -1.686 188 HD1 PHE 20 HD1 PHE 20 -14.679 8.437 -0.926 189 HD2 PHE 20 HD2 PHE 20 -14.326 4.596 -2.815 190 HE1 PHE 20 HE1 PHE 20 -17.080 8.524 -1.550 191 HE2 PHE 20 HE2 PHE 20 -16.725 4.681 -3.439 192 HZ PHE 20 HZ PHE 20 -18.103 6.646 -2.806 193 1HN NH2 21 1HN NH2 21 -13.605 7.248 2.435 194 2HN NH2 21 2HN NH2 21 -14.843 6.095 2.582 Start of MODEL 2 1 1H LYS 1 1H LYS 1 17.192 6.195 -15.270 2 2H LYS 1 2H LYS 1 16.600 5.491 -16.699 3 3H LYS 1 3H LYS 1 16.328 4.737 -15.201 4 HA LYS 1 HA LYS 1 15.040 6.789 -14.531 5 1HB LYS 1 2HB LYS 1 15.659 7.218 -17.457 6 2HB LYS 1 1HB LYS 1 14.282 8.010 -16.688 7 1HG LYS 1 2HG LYS 1 17.184 8.230 -15.832 8 2HG LYS 1 1HG LYS 1 16.224 9.494 -16.600 9 1HD LYS 1 2HD LYS 1 14.676 8.690 -14.417 10 2HD LYS 1 1HD LYS 1 16.327 8.708 -13.797 11 1HE LYS 1 2HE LYS 1 16.236 10.967 -13.681 12 2HE LYS 1 1HE LYS 1 15.978 11.034 -15.437 13 1HZ LYS 1 1HZ LYS 1 13.760 10.234 -13.682 14 2HZ LYS 1 2HZ LYS 1 13.709 10.981 -15.207 15 3HZ LYS 1 3HZ LYS 1 14.130 11.881 -13.830 16 H ALA 2 H ALA 2 15.092 4.236 -16.878 17 HA ALA 2 HA ALA 2 12.108 4.051 -16.881 18 1HB ALA 2 1HB ALA 2 13.690 4.037 -18.962 19 2HB ALA 2 2HB ALA 2 12.386 2.851 -18.892 20 3HB ALA 2 3HB ALA 2 14.034 2.375 -18.484 21 H LYS 3 H LYS 3 11.316 2.734 -15.282 22 HA LYS 3 HA LYS 3 12.568 0.073 -14.866 23 1HB LYS 3 2HB LYS 3 12.349 2.320 -12.863 24 2HB LYS 3 1HB LYS 3 12.421 0.640 -12.328 25 1HG LYS 3 2HG LYS 3 14.470 0.664 -14.112 26 2HG LYS 3 1HG LYS 3 14.535 2.331 -13.536 27 1HD LYS 3 2HD LYS 3 14.117 0.623 -11.278 28 2HD LYS 3 1HD LYS 3 15.469 -0.018 -12.213 29 1HE LYS 3 2HE LYS 3 16.276 2.477 -12.289 30 2HE LYS 3 1HE LYS 3 15.202 2.675 -10.890 31 1HZ LYS 3 1HZ LYS 3 17.692 1.742 -10.692 32 2HZ LYS 3 2HZ LYS 3 16.848 0.283 -10.897 33 3HZ LYS 3 3HZ LYS 3 16.451 1.324 -9.614 34 H LEU 4 H LEU 4 10.850 -1.330 -14.957 35 HA LEU 4 HA LEU 4 8.292 -0.499 -13.634 36 1HB LEU 4 2HB LEU 4 7.089 -1.427 -15.553 37 2HB LEU 4 1HB LEU 4 8.239 -0.214 -16.114 38 HG LEU 4 HG LEU 4 9.043 -3.111 -15.975 39 1HD1 LEU 4 1HD1 LEU 4 6.841 -2.330 -17.425 40 2HD1 LEU 4 2HD1 LEU 4 7.885 -3.688 -17.845 41 3HD1 LEU 4 3HD1 LEU 4 8.141 -2.113 -18.597 42 1HD2 LEU 4 1HD2 LEU 4 10.933 -2.239 -16.840 43 2HD2 LEU 4 2HD2 LEU 4 10.207 -0.632 -16.812 44 3HD2 LEU 4 3HD2 LEU 4 10.018 -1.659 -18.233 45 H PHE 5 H PHE 5 10.733 -2.500 -13.226 46 HA PHE 5 HA PHE 5 9.267 -5.065 -13.074 47 1HB PHE 5 2HB PHE 5 12.061 -4.042 -12.930 48 2HB PHE 5 1HB PHE 5 11.716 -5.525 -12.045 49 HD1 PHE 5 HD1 PHE 5 9.740 -6.904 -13.647 50 HD2 PHE 5 HD2 PHE 5 13.142 -4.611 -14.927 51 HE1 PHE 5 HE1 PHE 5 9.802 -8.181 -15.772 52 HE2 PHE 5 HE2 PHE 5 13.201 -5.888 -17.053 53 HZ PHE 5 HZ PHE 5 11.533 -7.673 -17.475 54 H LYS 6 H LYS 6 8.554 -2.720 -11.325 55 HA LYS 6 HA LYS 6 8.735 -4.149 -8.718 56 1HB LYS 6 2HB LYS 6 10.390 -2.011 -9.476 57 2HB LYS 6 1HB LYS 6 9.162 -1.283 -8.440 58 1HG LYS 6 2HG LYS 6 9.873 -2.402 -6.580 59 2HG LYS 6 1HG LYS 6 10.286 -3.856 -7.489 60 1HD LYS 6 2HD LYS 6 11.975 -1.586 -8.215 61 2HD LYS 6 1HD LYS 6 12.097 -1.988 -6.502 62 1HE LYS 6 2HE LYS 6 12.100 -4.473 -7.822 63 2HE LYS 6 1HE LYS 6 13.174 -3.431 -8.777 64 1HZ LYS 6 1HZ LYS 6 14.030 -4.606 -6.603 65 2HZ LYS 6 2HZ LYS 6 13.307 -3.263 -5.854 66 3HZ LYS 6 3HZ LYS 6 14.535 -3.039 -7.006 67 H LYS 7 H LYS 7 6.375 -4.309 -9.751 68 HA LYS 7 HA LYS 7 4.784 -2.090 -8.532 69 1HB LYS 7 2HB LYS 7 5.272 -2.102 -11.155 70 2HB LYS 7 1HB LYS 7 3.939 -3.260 -11.155 71 1HG LYS 7 2HG LYS 7 3.610 -0.730 -9.591 72 2HG LYS 7 1HG LYS 7 3.481 -0.643 -11.348 73 1HD LYS 7 2HD LYS 7 1.998 -2.913 -10.634 74 2HD LYS 7 1HD LYS 7 1.579 -1.699 -9.424 75 1HE LYS 7 2HE LYS 7 0.064 -1.467 -11.336 76 2HE LYS 7 1HE LYS 7 1.157 -0.070 -11.312 77 1HZ LYS 7 1HZ LYS 7 2.284 -2.332 -12.663 78 2HZ LYS 7 2HZ LYS 7 2.140 -0.723 -13.188 79 3HZ LYS 7 3HZ LYS 7 0.847 -1.807 -13.396 80 H ILE 8 H ILE 8 2.742 -2.777 -7.735 81 HA ILE 8 HA ILE 8 2.197 -5.723 -7.893 82 HB ILE 8 HB ILE 8 1.595 -3.967 -5.515 83 1HG1 ILE 8 2HG1 ILE 8 4.222 -5.331 -6.186 84 2HG1 ILE 8 1HG1 ILE 8 3.961 -3.608 -5.933 85 1HG2 ILE 8 1HG2 ILE 8 0.676 -6.314 -5.761 86 2HG2 ILE 8 2HG2 ILE 8 1.656 -6.061 -4.316 87 3HG2 ILE 8 3HG2 ILE 8 2.339 -6.900 -5.710 88 1HD1 ILE 8 1HD1 ILE 8 3.181 -5.492 -3.741 89 2HD1 ILE 8 2HD1 ILE 8 3.761 -3.830 -3.636 90 3HD1 ILE 8 3HD1 ILE 8 4.891 -5.140 -3.974 91 H GLY 9 H GLY 9 0.655 -2.646 -6.857 92 1HA GLY 9 2HA GLY 9 -1.355 -1.715 -7.724 93 2HA GLY 9 1HA GLY 9 -1.618 -3.179 -8.658 94 H ILE 10 H ILE 10 -1.234 -4.917 -6.345 95 HA ILE 10 HA ILE 10 -3.943 -4.611 -5.171 96 HB ILE 10 HB ILE 10 -1.946 -6.859 -4.839 97 1HG1 ILE 10 2HG1 ILE 10 -4.023 -6.553 -7.030 98 2HG1 ILE 10 1HG1 ILE 10 -2.301 -6.256 -7.260 99 1HG2 ILE 10 1HG2 ILE 10 -4.088 -8.182 -4.671 100 2HG2 ILE 10 2HG2 ILE 10 -4.968 -6.653 -4.698 101 3HG2 ILE 10 3HG2 ILE 10 -3.865 -7.011 -3.370 102 1HD1 ILE 10 1HD1 ILE 10 -3.748 -8.824 -6.937 103 2HD1 ILE 10 2HD1 ILE 10 -2.199 -8.704 -6.104 104 3HD1 ILE 10 3HD1 ILE 10 -2.282 -8.463 -7.849 105 H GLY 11 H GLY 11 -0.798 -3.760 -4.394 106 1HA GLY 11 2HA GLY 11 -0.768 -4.378 -1.578 107 2HA GLY 11 1HA GLY 11 0.288 -3.222 -2.376 108 H LYS 12 H LYS 12 -1.249 -1.325 -3.289 109 HA LYS 12 HA LYS 12 -2.273 0.004 -0.885 110 1HB LYS 12 2HB LYS 12 -2.383 0.955 -3.756 111 2HB LYS 12 1HB LYS 12 -2.275 1.934 -2.293 112 1HG LYS 12 2HG LYS 12 -0.032 0.792 -1.857 113 2HG LYS 12 1HG LYS 12 -0.136 0.176 -3.507 114 1HD LYS 12 2HD LYS 12 -0.097 3.081 -2.643 115 2HD LYS 12 1HD LYS 12 1.142 2.228 -3.563 116 1HE LYS 12 2HE LYS 12 -0.284 2.022 -5.481 117 2HE LYS 12 1HE LYS 12 -1.707 2.538 -4.557 118 1HZ LYS 12 1HZ LYS 12 0.364 4.428 -4.238 119 2HZ LYS 12 2HZ LYS 12 -1.180 4.651 -4.912 120 3HZ LYS 12 3HZ LYS 12 0.117 4.164 -5.895 121 H PHE 13 H PHE 13 -3.660 -2.277 -2.748 122 HA PHE 13 HA PHE 13 -6.148 -1.260 -3.633 123 1HB PHE 13 2HB PHE 13 -4.935 -3.576 -3.822 124 2HB PHE 13 1HB PHE 13 -5.804 -3.947 -2.338 125 HD1 PHE 13 HD1 PHE 13 -5.994 -3.945 -5.876 126 HD2 PHE 13 HD2 PHE 13 -8.379 -3.365 -2.352 127 HE1 PHE 13 HE1 PHE 13 -8.045 -4.420 -7.186 128 HE2 PHE 13 HE2 PHE 13 -10.431 -3.839 -3.662 129 HZ PHE 13 HZ PHE 13 -10.263 -4.367 -6.080 130 H LEU 14 H LEU 14 -5.332 -2.793 -0.572 131 HA LEU 14 HA LEU 14 -7.877 -2.311 0.693 132 1HB LEU 14 2HB LEU 14 -5.100 -2.926 1.734 133 2HB LEU 14 1HB LEU 14 -6.555 -2.979 2.730 134 HG LEU 14 HG LEU 14 -6.543 -4.499 0.152 135 1HD1 LEU 14 1HD1 LEU 14 -5.133 -5.334 2.700 136 2HD1 LEU 14 2HD1 LEU 14 -4.431 -5.195 1.088 137 3HD1 LEU 14 3HD1 LEU 14 -5.605 -6.466 1.433 138 1HD2 LEU 14 1HD2 LEU 14 -8.037 -4.373 2.680 139 2HD2 LEU 14 2HD2 LEU 14 -7.659 -6.019 2.172 140 3HD2 LEU 14 3HD2 LEU 14 -8.558 -4.949 1.096 141 H HIS 15 H HIS 15 -5.172 -0.310 0.089 142 HA HIS 15 HA HIS 15 -5.586 1.509 2.357 143 1HB HIS 15 2HB HIS 15 -3.451 0.912 0.951 144 2HB HIS 15 1HB HIS 15 -4.059 2.139 -0.157 145 HD1 HIS 15 HD1 HIS 15 -2.461 4.042 0.354 146 HD2 HIS 15 HD2 HIS 15 -4.213 2.464 3.791 147 HE1 HIS 15 HE1 HIS 15 -1.834 5.594 2.256 148 H SER 16 H SER 16 -5.785 1.985 -1.195 149 HA SER 16 HA SER 16 -7.261 4.426 -1.050 150 1HB SER 16 2HB SER 16 -7.844 2.836 -3.406 151 2HB SER 16 1HB SER 16 -6.877 4.303 -3.276 152 HG SER 16 HG SER 16 -5.114 3.046 -2.709 153 H ALA 17 H ALA 17 -8.194 1.233 -0.378 154 HA ALA 17 HA ALA 17 -10.998 1.412 -1.150 155 1HB ALA 17 1HB ALA 17 -10.667 -0.807 -0.853 156 2HB ALA 17 2HB ALA 17 -10.534 -0.528 0.884 157 3HB ALA 17 3HB ALA 17 -9.090 -0.490 -0.130 158 H LYS 18 H LYS 18 -9.344 1.315 2.038 159 HA LYS 18 HA LYS 18 -11.689 2.114 3.520 160 1HB LYS 18 2HB LYS 18 -9.606 0.866 4.305 161 2HB LYS 18 1HB LYS 18 -8.777 2.423 4.293 162 1HG LYS 18 2HG LYS 18 -9.530 2.591 6.432 163 2HG LYS 18 1HG LYS 18 -11.055 3.046 5.673 164 1HD LYS 18 2HD LYS 18 -11.395 0.418 5.552 165 2HD LYS 18 1HD LYS 18 -10.255 0.434 6.898 166 1HE LYS 18 2HE LYS 18 -12.478 0.572 7.851 167 2HE LYS 18 1HE LYS 18 -11.764 2.191 7.989 168 1HZ LYS 18 1HZ LYS 18 -13.244 1.413 5.559 169 2HZ LYS 18 2HZ LYS 18 -12.940 2.968 6.173 170 3HZ LYS 18 3HZ LYS 18 -14.087 1.963 6.925 171 H LYS 19 H LYS 19 -9.678 3.849 1.456 172 HA LYS 19 HA LYS 19 -9.737 6.413 2.893 173 1HB LYS 19 2HB LYS 19 -8.147 5.265 1.004 174 2HB LYS 19 1HB LYS 19 -9.177 6.268 -0.017 175 1HG LYS 19 2HG LYS 19 -8.211 7.619 2.418 176 2HG LYS 19 1HG LYS 19 -6.937 7.173 1.282 177 1HD LYS 19 2HD LYS 19 -7.856 8.468 -0.451 178 2HD LYS 19 1HD LYS 19 -9.445 8.531 0.312 179 1HE LYS 19 2HE LYS 19 -7.743 9.679 2.213 180 2HE LYS 19 1HE LYS 19 -7.182 10.334 0.661 181 1HZ LYS 19 1HZ LYS 19 -10.066 10.118 1.219 182 2HZ LYS 19 2HZ LYS 19 -9.257 11.165 0.153 183 3HZ LYS 19 3HZ LYS 19 -9.192 11.437 1.829 184 H PHE 20 H PHE 20 -10.919 5.538 -0.367 185 HA PHE 20 HA PHE 20 -12.957 7.649 -0.260 186 1HB PHE 20 2HB PHE 20 -11.709 7.189 -2.298 187 2HB PHE 20 1HB PHE 20 -12.204 5.496 -2.262 188 HD1 PHE 20 HD1 PHE 20 -14.524 4.846 -2.760 189 HD2 PHE 20 HD2 PHE 20 -13.237 8.936 -2.999 190 HE1 PHE 20 HE1 PHE 20 -16.571 5.414 -4.040 191 HE2 PHE 20 HE2 PHE 20 -15.285 9.506 -4.277 192 HZ PHE 20 HZ PHE 20 -16.952 7.745 -4.799 193 1HN NH2 21 1HN NH2 21 -15.134 7.296 0.308 194 2HN NH2 21 2HN NH2 21 -15.845 5.769 0.525 Start of MODEL 3 1 1H LYS 1 1H LYS 1 1.190 -19.631 -0.871 2 2H LYS 1 2H LYS 1 2.573 -18.746 -1.308 3 3H LYS 1 3H LYS 1 1.569 -18.193 -0.055 4 HA LYS 1 HA LYS 1 2.144 -20.484 1.029 5 1HB LYS 1 2HB LYS 1 3.260 -21.058 -1.204 6 2HB LYS 1 1HB LYS 1 4.540 -19.936 -0.739 7 1HG LYS 1 2HG LYS 1 5.406 -21.911 0.111 8 2HG LYS 1 1HG LYS 1 4.496 -21.343 1.511 9 1HD LYS 1 2HD LYS 1 2.674 -22.807 1.052 10 2HD LYS 1 1HD LYS 1 3.270 -23.158 -0.572 11 1HE LYS 1 2HE LYS 1 5.080 -24.472 0.260 12 2HE LYS 1 1HE LYS 1 4.861 -23.860 1.911 13 1HZ LYS 1 1HZ LYS 1 3.283 -25.825 0.438 14 2HZ LYS 1 2HZ LYS 1 2.425 -24.754 1.440 15 3HZ LYS 1 3HZ LYS 1 3.639 -25.747 2.095 16 H ALA 2 H ALA 2 1.797 -18.206 2.203 17 HA ALA 2 HA ALA 2 2.699 -16.492 3.576 18 1HB ALA 2 1HB ALA 2 4.524 -18.891 3.829 19 2HB ALA 2 2HB ALA 2 3.229 -18.390 4.916 20 3HB ALA 2 3HB ALA 2 4.727 -17.462 4.845 21 H LYS 3 H LYS 3 3.269 -15.769 1.037 22 HA LYS 3 HA LYS 3 6.075 -14.767 1.229 23 1HB LYS 3 2HB LYS 3 5.809 -16.882 -0.186 24 2HB LYS 3 1HB LYS 3 4.848 -15.904 -1.296 25 1HG LYS 3 2HG LYS 3 6.854 -14.266 -1.271 26 2HG LYS 3 1HG LYS 3 7.763 -15.614 -0.585 27 1HD LYS 3 2HD LYS 3 7.821 -16.734 -2.560 28 2HD LYS 3 1HD LYS 3 6.142 -16.339 -2.935 29 1HE LYS 3 2HE LYS 3 6.857 -14.026 -3.562 30 2HE LYS 3 1HE LYS 3 8.544 -14.512 -3.294 31 1HZ LYS 3 1HZ LYS 3 8.254 -15.007 -5.516 32 2HZ LYS 3 2HZ LYS 3 6.635 -15.483 -5.319 33 3HZ LYS 3 3HZ LYS 3 7.891 -16.498 -4.792 34 H LEU 4 H LEU 4 6.320 -12.684 0.343 35 HA LEU 4 HA LEU 4 4.063 -11.492 -1.178 36 1HB LEU 4 2HB LEU 4 3.973 -9.617 0.470 37 2HB LEU 4 1HB LEU 4 3.521 -11.162 1.187 38 HG LEU 4 HG LEU 4 6.307 -11.024 1.478 39 1HD1 LEU 4 1HD1 LEU 4 5.000 -8.351 1.652 40 2HD1 LEU 4 2HD1 LEU 4 6.661 -8.764 1.231 41 3HD1 LEU 4 3HD1 LEU 4 6.155 -8.762 2.920 42 1HD2 LEU 4 1HD2 LEU 4 5.804 -11.229 3.758 43 2HD2 LEU 4 2HD2 LEU 4 4.318 -11.808 3.004 44 3HD2 LEU 4 3HD2 LEU 4 4.402 -10.166 3.644 45 H PHE 5 H PHE 5 6.760 -12.142 -1.976 46 HA PHE 5 HA PHE 5 8.365 -9.687 -1.886 47 1HB PHE 5 2HB PHE 5 8.686 -12.463 -2.433 48 2HB PHE 5 1HB PHE 5 9.185 -11.588 -3.882 49 HD1 PHE 5 HD1 PHE 5 9.460 -11.119 -0.162 50 HD2 PHE 5 HD2 PHE 5 11.440 -11.043 -3.973 51 HE1 PHE 5 HE1 PHE 5 11.579 -10.474 0.952 52 HE2 PHE 5 HE2 PHE 5 13.560 -10.397 -2.858 53 HZ PHE 5 HZ PHE 5 13.629 -10.112 -0.396 54 H LYS 6 H LYS 6 5.951 -11.091 -3.973 55 HA LYS 6 HA LYS 6 6.359 -8.827 -5.895 56 1HB LYS 6 2HB LYS 6 5.771 -10.520 -7.679 57 2HB LYS 6 1HB LYS 6 7.302 -10.843 -6.863 58 1HG LYS 6 2HG LYS 6 6.317 -12.547 -5.495 59 2HG LYS 6 1HG LYS 6 4.686 -12.091 -5.991 60 1HD LYS 6 2HD LYS 6 5.583 -14.149 -7.150 61 2HD LYS 6 1HD LYS 6 5.078 -12.860 -8.244 62 1HE LYS 6 2HE LYS 6 7.192 -12.574 -9.037 63 2HE LYS 6 1HE LYS 6 7.892 -12.629 -7.408 64 1HZ LYS 6 1HZ LYS 6 6.756 -15.059 -8.634 65 2HZ LYS 6 2HZ LYS 6 7.909 -14.928 -7.393 66 3HZ LYS 6 3HZ LYS 6 8.344 -14.588 -8.999 67 H LYS 7 H LYS 7 4.480 -8.831 -3.748 68 HA LYS 7 HA LYS 7 1.941 -8.814 -5.307 69 1HB LYS 7 2HB LYS 7 2.725 -10.583 -3.066 70 2HB LYS 7 1HB LYS 7 1.126 -9.855 -2.916 71 1HG LYS 7 2HG LYS 7 1.520 -10.758 -5.625 72 2HG LYS 7 1HG LYS 7 1.849 -12.081 -4.505 73 1HD LYS 7 2HD LYS 7 -0.338 -11.430 -3.335 74 2HD LYS 7 1HD LYS 7 -0.678 -10.442 -4.755 75 1HE LYS 7 2HE LYS 7 0.182 -13.029 -5.659 76 2HE LYS 7 1HE LYS 7 -1.110 -13.243 -4.459 77 1HZ LYS 7 1HZ LYS 7 -2.569 -11.957 -5.652 78 2HZ LYS 7 2HZ LYS 7 -1.713 -12.696 -6.920 79 3HZ LYS 7 3HZ LYS 7 -1.347 -11.102 -6.458 80 H ILE 8 H ILE 8 2.215 -6.459 -5.114 81 HA ILE 8 HA ILE 8 1.564 -5.450 -2.364 82 HB ILE 8 HB ILE 8 3.165 -4.028 -4.509 83 1HG1 ILE 8 2HG1 ILE 8 3.997 -5.955 -2.346 84 2HG1 ILE 8 1HG1 ILE 8 4.538 -5.874 -4.020 85 1HG2 ILE 8 1HG2 ILE 8 3.400 -3.509 -1.576 86 2HG2 ILE 8 2HG2 ILE 8 1.941 -2.944 -2.390 87 3HG2 ILE 8 3HG2 ILE 8 3.524 -2.384 -2.928 88 1HD1 ILE 8 1HD1 ILE 8 5.724 -3.759 -3.539 89 2HD1 ILE 8 2HD1 ILE 8 6.297 -5.060 -2.495 90 3HD1 ILE 8 3HD1 ILE 8 5.189 -3.845 -1.860 91 H GLY 9 H GLY 9 1.014 -5.234 -5.839 92 1HA GLY 9 2HA GLY 9 -0.537 -2.896 -5.986 93 2HA GLY 9 1HA GLY 9 -0.793 -4.299 -7.021 94 H ILE 10 H ILE 10 -1.209 -5.898 -4.473 95 HA ILE 10 HA ILE 10 -4.109 -5.323 -4.225 96 HB ILE 10 HB ILE 10 -2.572 -7.638 -3.045 97 1HG1 ILE 10 2HG1 ILE 10 -1.918 -7.310 -5.458 98 2HG1 ILE 10 1HG1 ILE 10 -2.753 -8.826 -5.148 99 1HG2 ILE 10 1HG2 ILE 10 -5.386 -7.247 -4.102 100 2HG2 ILE 10 2HG2 ILE 10 -4.907 -7.508 -2.425 101 3HG2 ILE 10 3HG2 ILE 10 -4.733 -8.807 -3.603 102 1HD1 ILE 10 1HD1 ILE 10 -3.874 -8.038 -7.047 103 2HD1 ILE 10 2HD1 ILE 10 -3.775 -6.357 -6.523 104 3HD1 ILE 10 3HD1 ILE 10 -4.912 -7.457 -5.745 105 H GLY 11 H GLY 11 -1.189 -4.814 -2.565 106 1HA GLY 11 2HA GLY 11 -2.401 -4.776 0.114 107 2HA GLY 11 1HA GLY 11 -0.718 -4.412 -0.254 108 H LYS 12 H LYS 12 -1.335 -2.581 -2.368 109 HA LYS 12 HA LYS 12 -1.855 -0.167 -0.774 110 1HB LYS 12 2HB LYS 12 -1.048 -0.840 -3.605 111 2HB LYS 12 1HB LYS 12 -1.470 0.816 -3.164 112 1HG LYS 12 2HG LYS 12 0.263 0.867 -1.468 113 2HG LYS 12 1HG LYS 12 0.616 -0.842 -1.720 114 1HD LYS 12 2HD LYS 12 1.486 -0.438 -3.910 115 2HD LYS 12 1HD LYS 12 0.849 1.207 -3.934 116 1HE LYS 12 2HE LYS 12 2.867 0.342 -1.850 117 2HE LYS 12 1HE LYS 12 3.370 0.966 -3.433 118 1HZ LYS 12 1HZ LYS 12 3.154 2.897 -2.214 119 2HZ LYS 12 2HZ LYS 12 1.837 2.317 -1.312 120 3HZ LYS 12 3HZ LYS 12 1.622 2.784 -2.932 121 H PHE 13 H PHE 13 -3.604 -2.324 -2.842 122 HA PHE 13 HA PHE 13 -5.659 -0.548 -3.775 123 1HB PHE 13 2HB PHE 13 -4.831 -3.057 -4.285 124 2HB PHE 13 1HB PHE 13 -6.171 -3.421 -3.208 125 HD1 PHE 13 HD1 PHE 13 -5.485 -3.357 -6.510 126 HD2 PHE 13 HD2 PHE 13 -8.189 -1.474 -3.752 127 HE1 PHE 13 HE1 PHE 13 -7.082 -2.941 -8.361 128 HE2 PHE 13 HE2 PHE 13 -9.785 -1.058 -5.604 129 HZ PHE 13 HZ PHE 13 -9.233 -1.791 -7.907 130 H LEU 14 H LEU 14 -5.268 -2.608 -0.975 131 HA LEU 14 HA LEU 14 -7.873 -2.263 0.169 132 1HB LEU 14 2HB LEU 14 -5.130 -3.052 1.100 133 2HB LEU 14 1HB LEU 14 -6.399 -2.804 2.300 134 HG LEU 14 HG LEU 14 -6.723 -4.607 -0.113 135 1HD1 LEU 14 1HD1 LEU 14 -6.120 -6.460 1.214 136 2HD1 LEU 14 2HD1 LEU 14 -6.263 -5.545 2.716 137 3HD1 LEU 14 3HD1 LEU 14 -4.905 -5.251 1.629 138 1HD2 LEU 14 1HD2 LEU 14 -8.526 -5.534 1.507 139 2HD2 LEU 14 2HD2 LEU 14 -8.859 -4.001 0.702 140 3HD2 LEU 14 3HD2 LEU 14 -8.318 -4.016 2.380 141 H HIS 15 H HIS 15 -5.088 -0.255 -0.011 142 HA HIS 15 HA HIS 15 -5.592 1.493 2.233 143 1HB HIS 15 2HB HIS 15 -3.490 1.146 0.783 144 2HB HIS 15 1HB HIS 15 -4.270 2.189 -0.398 145 HD1 HIS 15 HD1 HIS 15 -3.474 4.525 -0.174 146 HD2 HIS 15 HD2 HIS 15 -3.727 2.649 3.542 147 HE1 HIS 15 HE1 HIS 15 -2.807 6.256 1.549 148 H SER 16 H SER 16 -6.127 1.906 -1.268 149 HA SER 16 HA SER 16 -7.654 4.311 -1.082 150 1HB SER 16 2HB SER 16 -8.429 2.550 -3.271 151 2HB SER 16 1HB SER 16 -7.548 4.074 -3.336 152 HG SER 16 HG SER 16 -6.278 2.311 -4.055 153 H ALA 17 H ALA 17 -8.431 1.054 -0.364 154 HA ALA 17 HA ALA 17 -11.308 1.181 -0.721 155 1HB ALA 17 1HB ALA 17 -10.758 -0.737 1.203 156 2HB ALA 17 2HB ALA 17 -9.233 -0.622 0.325 157 3HB ALA 17 3HB ALA 17 -10.720 -1.013 -0.539 158 H LYS 18 H LYS 18 -9.070 1.734 1.985 159 HA LYS 18 HA LYS 18 -11.210 2.291 3.900 160 1HB LYS 18 2HB LYS 18 -8.232 2.206 3.789 161 2HB LYS 18 1HB LYS 18 -8.948 3.201 5.057 162 1HG LYS 18 2HG LYS 18 -10.226 0.567 4.749 163 2HG LYS 18 1HG LYS 18 -8.534 0.487 5.244 164 1HD LYS 18 2HD LYS 18 -9.172 0.999 7.340 165 2HD LYS 18 1HD LYS 18 -9.699 2.576 6.753 166 1HE LYS 18 2HE LYS 18 -11.883 2.006 6.974 167 2HE LYS 18 1HE LYS 18 -11.632 0.486 6.093 168 1HZ LYS 18 1HZ LYS 18 -10.456 -0.301 8.172 169 2HZ LYS 18 2HZ LYS 18 -12.145 -0.152 8.282 170 3HZ LYS 18 3HZ LYS 18 -11.138 1.036 8.963 171 H LYS 19 H LYS 19 -9.616 4.003 1.436 172 HA LYS 19 HA LYS 19 -9.747 6.678 2.588 173 1HB LYS 19 2HB LYS 19 -8.515 5.411 0.458 174 2HB LYS 19 1HB LYS 19 -9.755 6.377 -0.341 175 1HG LYS 19 2HG LYS 19 -8.855 8.235 1.368 176 2HG LYS 19 1HG LYS 19 -7.387 7.267 1.242 177 1HD LYS 19 2HD LYS 19 -7.057 8.673 -0.558 178 2HD LYS 19 1HD LYS 19 -7.967 7.392 -1.360 179 1HE LYS 19 2HE LYS 19 -9.839 8.701 -1.617 180 2HE LYS 19 1HE LYS 19 -9.593 9.529 -0.068 181 1HZ LYS 19 1HZ LYS 19 -8.745 11.193 -1.266 182 2HZ LYS 19 2HZ LYS 19 -8.650 10.254 -2.678 183 3HZ LYS 19 3HZ LYS 19 -7.395 10.202 -1.536 184 H PHE 20 H PHE 20 -11.821 4.657 0.550 185 HA PHE 20 HA PHE 20 -13.892 6.830 0.579 186 1HB PHE 20 2HB PHE 20 -12.943 6.142 -1.626 187 2HB PHE 20 1HB PHE 20 -13.492 4.495 -1.319 188 HD1 PHE 20 HD1 PHE 20 -15.084 4.280 -3.090 189 HD2 PHE 20 HD2 PHE 20 -15.318 7.583 -0.355 190 HE1 PHE 20 HE1 PHE 20 -17.326 4.856 -3.979 191 HE2 PHE 20 HE2 PHE 20 -17.561 8.159 -1.243 192 HZ PHE 20 HZ PHE 20 -18.565 6.796 -3.055 193 1HN NH2 21 1HN NH2 21 -15.904 6.283 1.537 194 2HN NH2 21 2HN NH2 21 -16.306 4.735 2.106 Start of MODEL 4 1 1H LYS 1 1H LYS 1 18.473 -12.173 2.981 2 2H LYS 1 2H LYS 1 18.719 -10.885 4.060 3 3H LYS 1 3H LYS 1 19.892 -11.250 2.888 4 HA LYS 1 HA LYS 1 18.765 -10.233 1.209 5 1HB LYS 1 2HB LYS 1 16.731 -11.819 2.432 6 2HB LYS 1 1HB LYS 1 16.062 -10.207 2.175 7 1HG LYS 1 2HG LYS 1 17.003 -10.338 -0.193 8 2HG LYS 1 1HG LYS 1 17.291 -12.050 0.117 9 1HD LYS 1 2HD LYS 1 15.154 -11.979 -0.912 10 2HD LYS 1 1HD LYS 1 14.816 -12.167 0.809 11 1HE LYS 1 2HE LYS 1 13.901 -10.071 0.986 12 2HE LYS 1 1HE LYS 1 15.064 -9.363 -0.153 13 1HZ LYS 1 1HZ LYS 1 13.234 -11.374 -1.204 14 2HZ LYS 1 2HZ LYS 1 13.839 -9.969 -1.941 15 3HZ LYS 1 3HZ LYS 1 12.558 -9.864 -0.830 16 H ALA 2 H ALA 2 18.162 -8.005 0.984 17 HA ALA 2 HA ALA 2 18.205 -6.477 3.549 18 1HB ALA 2 1HB ALA 2 19.296 -4.830 2.317 19 2HB ALA 2 2HB ALA 2 18.480 -5.271 0.817 20 3HB ALA 2 3HB ALA 2 19.794 -6.272 1.432 21 H LYS 3 H LYS 3 16.974 -4.216 3.136 22 HA LYS 3 HA LYS 3 14.325 -4.767 1.854 23 1HB LYS 3 2HB LYS 3 13.365 -3.636 3.942 24 2HB LYS 3 1HB LYS 3 14.041 -5.247 4.188 25 1HG LYS 3 2HG LYS 3 15.841 -4.459 5.382 26 2HG LYS 3 1HG LYS 3 15.907 -2.944 4.483 27 1HD LYS 3 2HD LYS 3 13.540 -3.466 6.247 28 2HD LYS 3 1HD LYS 3 15.061 -2.972 6.991 29 1HE LYS 3 2HE LYS 3 15.124 -0.934 5.676 30 2HE LYS 3 1HE LYS 3 13.722 -1.458 4.722 31 1HZ LYS 3 1HZ LYS 3 13.609 -1.299 7.671 32 2HZ LYS 3 2HZ LYS 3 12.321 -1.340 6.564 33 3HZ LYS 3 3HZ LYS 3 13.275 0.058 6.711 34 H LEU 4 H LEU 4 14.214 -3.192 0.283 35 HA LEU 4 HA LEU 4 14.650 -0.364 1.112 36 1HB LEU 4 2HB LEU 4 16.006 -0.061 -0.997 37 2HB LEU 4 1HB LEU 4 16.777 -1.102 0.200 38 HG LEU 4 HG LEU 4 15.135 -2.790 -1.362 39 1HD1 LEU 4 1HD1 LEU 4 15.612 -2.317 -3.607 40 2HD1 LEU 4 2HD1 LEU 4 16.973 -1.273 -3.198 41 3HD1 LEU 4 3HD1 LEU 4 15.322 -0.708 -2.945 42 1HD2 LEU 4 1HD2 LEU 4 17.140 -3.652 -0.483 43 2HD2 LEU 4 2HD2 LEU 4 18.091 -2.285 -1.064 44 3HD2 LEU 4 3HD2 LEU 4 17.506 -3.500 -2.202 45 H PHE 5 H PHE 5 12.394 -2.301 0.171 46 HA PHE 5 HA PHE 5 11.503 -1.103 -2.363 47 1HB PHE 5 2HB PHE 5 11.097 -3.465 -0.897 48 2HB PHE 5 1HB PHE 5 9.539 -2.637 -0.862 49 HD1 PHE 5 HD1 PHE 5 8.545 -1.816 -3.068 50 HD2 PHE 5 HD2 PHE 5 11.857 -4.543 -2.863 51 HE1 PHE 5 HE1 PHE 5 8.129 -2.498 -5.416 52 HE2 PHE 5 HE2 PHE 5 11.443 -5.224 -5.210 53 HZ PHE 5 HZ PHE 5 9.579 -4.202 -6.488 54 H LYS 6 H LYS 6 9.600 0.224 -2.558 55 HA LYS 6 HA LYS 6 8.614 1.440 0.001 56 1HB LYS 6 2HB LYS 6 9.569 2.710 -2.573 57 2HB LYS 6 1HB LYS 6 8.591 3.594 -1.400 58 1HG LYS 6 2HG LYS 6 10.376 3.932 -0.071 59 2HG LYS 6 1HG LYS 6 10.764 2.211 -0.074 60 1HD LYS 6 2HD LYS 6 11.802 2.536 -2.353 61 2HD LYS 6 1HD LYS 6 11.584 4.272 -2.137 62 1HE LYS 6 2HE LYS 6 12.931 4.127 -0.018 63 2HE LYS 6 1HE LYS 6 13.259 2.425 -0.401 64 1HZ LYS 6 1HZ LYS 6 14.755 4.437 -1.312 65 2HZ LYS 6 2HZ LYS 6 13.630 4.311 -2.579 66 3HZ LYS 6 3HZ LYS 6 14.571 2.967 -2.135 67 H LYS 7 H LYS 7 7.184 -0.608 -1.266 68 HA LYS 7 HA LYS 7 4.636 0.640 -1.754 69 1HB LYS 7 2HB LYS 7 6.247 1.013 -3.851 70 2HB LYS 7 1HB LYS 7 5.708 -0.619 -4.252 71 1HG LYS 7 2HG LYS 7 3.330 0.492 -3.604 72 2HG LYS 7 1HG LYS 7 4.170 1.922 -4.203 73 1HD LYS 7 2HD LYS 7 4.442 1.035 -6.343 74 2HD LYS 7 1HD LYS 7 4.294 -0.630 -5.781 75 1HE LYS 7 2HE LYS 7 1.846 0.106 -5.124 76 2HE LYS 7 1HE LYS 7 2.125 1.374 -6.334 77 1HZ LYS 7 1HZ LYS 7 2.802 -0.302 -7.918 78 2HZ LYS 7 2HZ LYS 7 1.245 -0.668 -7.342 79 3HZ LYS 7 3HZ LYS 7 2.591 -1.530 -6.767 80 H ILE 8 H ILE 8 2.974 -1.027 -2.320 81 HA ILE 8 HA ILE 8 3.939 -3.818 -1.782 82 HB ILE 8 HB ILE 8 1.312 -2.624 -0.876 83 1HG1 ILE 8 2HG1 ILE 8 4.033 -2.537 0.445 84 2HG1 ILE 8 1HG1 ILE 8 2.930 -1.195 0.144 85 1HG2 ILE 8 1HG2 ILE 8 1.888 -5.172 -0.943 86 2HG2 ILE 8 2HG2 ILE 8 1.170 -4.503 0.524 87 3HG2 ILE 8 3HG2 ILE 8 2.906 -4.807 0.450 88 1HD1 ILE 8 1HD1 ILE 8 1.344 -2.066 1.771 89 2HD1 ILE 8 2HD1 ILE 8 2.929 -1.948 2.533 90 3HD1 ILE 8 3HD1 ILE 8 2.323 -3.516 1.999 91 H GLY 9 H GLY 9 1.137 -1.946 -3.015 92 1HA GLY 9 2HA GLY 9 0.037 -2.288 -5.104 93 2HA GLY 9 1HA GLY 9 0.980 -3.752 -5.345 94 H ILE 10 H ILE 10 0.501 -5.201 -3.173 95 HA ILE 10 HA ILE 10 -2.240 -6.119 -3.537 96 HB ILE 10 HB ILE 10 -0.083 -6.901 -1.555 97 1HG1 ILE 10 2HG1 ILE 10 0.554 -6.982 -4.009 98 2HG1 ILE 10 1HG1 ILE 10 0.631 -8.532 -3.174 99 1HG2 ILE 10 1HG2 ILE 10 -2.421 -7.688 -1.061 100 2HG2 ILE 10 2HG2 ILE 10 -1.281 -8.998 -1.366 101 3HG2 ILE 10 3HG2 ILE 10 -2.420 -8.511 -2.621 102 1HD1 ILE 10 1HD1 ILE 10 -1.755 -8.941 -4.001 103 2HD1 ILE 10 2HD1 ILE 10 -0.496 -8.966 -5.234 104 3HD1 ILE 10 3HD1 ILE 10 -1.523 -7.544 -5.052 105 H GLY 11 H GLY 11 -0.543 -4.069 -1.356 106 1HA GLY 11 2HA GLY 11 -2.829 -4.042 0.546 107 2HA GLY 11 1HA GLY 11 -1.227 -3.384 0.885 108 H LYS 12 H LYS 12 -1.434 -2.343 -2.043 109 HA LYS 12 HA LYS 12 -2.080 0.365 -1.449 110 1HB LYS 12 2HB LYS 12 -0.673 -0.260 -3.309 111 2HB LYS 12 1HB LYS 12 -1.947 -1.262 -4.005 112 1HG LYS 12 2HG LYS 12 -3.163 1.218 -3.733 113 2HG LYS 12 1HG LYS 12 -1.521 1.621 -4.233 114 1HD LYS 12 2HD LYS 12 -1.699 0.130 -6.158 115 2HD LYS 12 1HD LYS 12 -3.303 -0.389 -5.639 116 1HE LYS 12 2HE LYS 12 -4.302 1.487 -6.472 117 2HE LYS 12 1HE LYS 12 -3.006 2.544 -5.880 118 1HZ LYS 12 1HZ LYS 12 -2.001 2.462 -7.848 119 2HZ LYS 12 2HZ LYS 12 -3.352 1.642 -8.472 120 3HZ LYS 12 3HZ LYS 12 -2.030 0.765 -7.870 121 H PHE 13 H PHE 13 -4.012 -2.262 -2.902 122 HA PHE 13 HA PHE 13 -6.336 -0.720 -3.512 123 1HB PHE 13 2HB PHE 13 -5.513 -3.186 -4.025 124 2HB PHE 13 1HB PHE 13 -6.449 -3.563 -2.585 125 HD1 PHE 13 HD1 PHE 13 -6.863 -1.268 -5.531 126 HD2 PHE 13 HD2 PHE 13 -8.606 -4.315 -3.053 127 HE1 PHE 13 HE1 PHE 13 -8.950 -1.158 -6.864 128 HE2 PHE 13 HE2 PHE 13 -10.694 -4.205 -4.387 129 HZ PHE 13 HZ PHE 13 -10.865 -2.627 -6.293 130 H LEU 14 H LEU 14 -5.398 -2.594 -0.702 131 HA LEU 14 HA LEU 14 -7.723 -2.148 0.895 132 1HB LEU 14 2HB LEU 14 -4.833 -2.843 1.366 133 2HB LEU 14 1HB LEU 14 -5.899 -2.572 2.745 134 HG LEU 14 HG LEU 14 -7.247 -4.253 0.845 135 1HD1 LEU 14 1HD1 LEU 14 -4.477 -5.163 1.683 136 2HD1 LEU 14 2HD1 LEU 14 -5.037 -4.899 0.032 137 3HD1 LEU 14 3HD1 LEU 14 -5.709 -6.218 0.990 138 1HD2 LEU 14 1HD2 LEU 14 -6.465 -4.189 3.690 139 2HD2 LEU 14 2HD2 LEU 14 -6.645 -5.812 3.024 140 3HD2 LEU 14 3HD2 LEU 14 -7.993 -4.676 2.956 141 H HIS 15 H HIS 15 -5.131 -0.104 -0.021 142 HA HIS 15 HA HIS 15 -5.392 1.787 2.215 143 1HB HIS 15 2HB HIS 15 -3.392 1.070 0.572 144 2HB HIS 15 1HB HIS 15 -4.029 2.416 -0.368 145 HD1 HIS 15 HD1 HIS 15 -2.934 4.577 0.218 146 HD2 HIS 15 HD2 HIS 15 -3.105 2.018 3.506 147 HE1 HIS 15 HE1 HIS 15 -1.814 5.796 2.135 148 H SER 16 H SER 16 -5.940 1.941 -1.329 149 HA SER 16 HA SER 16 -7.427 4.425 -1.180 150 1HB SER 16 2HB SER 16 -6.089 3.369 -3.118 151 2HB SER 16 1HB SER 16 -7.500 2.347 -3.378 152 HG SER 16 HG SER 16 -8.666 4.474 -3.350 153 H ALA 17 H ALA 17 -8.194 1.228 -0.407 154 HA ALA 17 HA ALA 17 -11.018 1.267 -1.187 155 1HB ALA 17 1HB ALA 17 -10.033 -0.867 -1.102 156 2HB ALA 17 2HB ALA 17 -10.882 -0.794 0.442 157 3HB ALA 17 3HB ALA 17 -9.144 -0.498 0.377 158 H LYS 18 H LYS 18 -9.354 1.145 1.994 159 HA LYS 18 HA LYS 18 -11.718 1.950 3.463 160 1HB LYS 18 2HB LYS 18 -9.017 1.064 3.911 161 2HB LYS 18 1HB LYS 18 -9.326 2.484 4.911 162 1HG LYS 18 2HG LYS 18 -10.243 0.960 6.341 163 2HG LYS 18 1HG LYS 18 -11.645 1.108 5.280 164 1HD LYS 18 2HD LYS 18 -11.440 -1.040 4.648 165 2HD LYS 18 1HD LYS 18 -9.780 -0.755 4.126 166 1HE LYS 18 2HE LYS 18 -10.011 -2.522 5.935 167 2HE LYS 18 1HE LYS 18 -8.943 -1.178 6.378 168 1HZ LYS 18 1HZ LYS 18 -11.196 -1.981 7.737 169 2HZ LYS 18 2HZ LYS 18 -11.673 -0.569 6.925 170 3HZ LYS 18 3HZ LYS 18 -10.337 -0.539 7.973 171 H LYS 19 H LYS 19 -9.568 3.661 1.506 172 HA LYS 19 HA LYS 19 -9.631 6.196 3.003 173 1HB LYS 19 2HB LYS 19 -8.405 5.040 0.555 174 2HB LYS 19 1HB LYS 19 -8.683 6.781 0.528 175 1HG LYS 19 2HG LYS 19 -7.445 7.040 2.626 176 2HG LYS 19 1HG LYS 19 -7.209 5.295 2.721 177 1HD LYS 19 2HD LYS 19 -5.473 5.360 1.280 178 2HD LYS 19 1HD LYS 19 -6.369 6.365 0.140 179 1HE LYS 19 2HE LYS 19 -5.786 8.021 2.372 180 2HE LYS 19 1HE LYS 19 -4.286 7.169 1.956 181 1HZ LYS 19 1HZ LYS 19 -5.049 9.301 0.634 182 2HZ LYS 19 2HZ LYS 19 -5.956 8.157 -0.234 183 3HZ LYS 19 3HZ LYS 19 -4.266 8.013 -0.143 184 H PHE 20 H PHE 20 -10.544 5.481 -0.380 185 HA PHE 20 HA PHE 20 -12.431 7.670 -0.499 186 1HB PHE 20 2HB PHE 20 -10.989 6.301 -2.269 187 2HB PHE 20 1HB PHE 20 -12.459 5.334 -2.370 188 HD1 PHE 20 HD1 PHE 20 -11.549 8.971 -2.131 189 HD2 PHE 20 HD2 PHE 20 -13.963 5.968 -4.029 190 HE1 PHE 20 HE1 PHE 20 -12.581 10.710 -3.569 191 HE2 PHE 20 HE2 PHE 20 -14.996 7.706 -5.466 192 HZ PHE 20 HZ PHE 20 -14.304 10.076 -5.236 193 1HN NH2 21 1HN NH2 21 -12.910 4.080 -0.464 194 2HN NH2 21 2HN NH2 21 -14.508 4.144 0.103 Start of MODEL 5 1 1H LYS 1 1H LYS 1 12.571 -19.052 1.516 2 2H LYS 1 2H LYS 1 12.757 -19.370 3.174 3 3H LYS 1 3H LYS 1 13.472 -17.992 2.486 4 HA LYS 1 HA LYS 1 11.511 -16.831 2.371 5 1HB LYS 1 2HB LYS 1 9.333 -18.271 2.424 6 2HB LYS 1 1HB LYS 1 10.312 -18.292 0.958 7 1HG LYS 1 2HG LYS 1 11.148 -20.292 2.941 8 2HG LYS 1 1HG LYS 1 9.503 -20.532 2.357 9 1HD LYS 1 2HD LYS 1 11.426 -19.853 0.236 10 2HD LYS 1 1HD LYS 1 11.769 -21.382 1.045 11 1HE LYS 1 2HE LYS 1 8.910 -21.026 0.443 12 2HE LYS 1 1HE LYS 1 9.938 -21.070 -1.004 13 1HZ LYS 1 1HZ LYS 1 9.245 -23.302 -0.114 14 2HZ LYS 1 2HZ LYS 1 10.227 -22.990 1.237 15 3HZ LYS 1 3HZ LYS 1 10.916 -23.089 -0.312 16 H ALA 2 H ALA 2 10.853 -15.850 4.246 17 HA ALA 2 HA ALA 2 10.079 -17.455 6.601 18 1HB ALA 2 1HB ALA 2 12.732 -16.711 6.196 19 2HB ALA 2 2HB ALA 2 12.020 -17.179 7.741 20 3HB ALA 2 3HB ALA 2 12.120 -15.475 7.297 21 H LYS 3 H LYS 3 8.292 -15.913 5.366 22 HA LYS 3 HA LYS 3 7.997 -13.566 7.180 23 1HB LYS 3 2HB LYS 3 8.961 -13.379 4.577 24 2HB LYS 3 1HB LYS 3 7.245 -13.010 4.400 25 1HG LYS 3 2HG LYS 3 7.394 -11.270 6.096 26 2HG LYS 3 1HG LYS 3 9.075 -11.692 6.427 27 1HD LYS 3 2HD LYS 3 9.278 -11.271 3.782 28 2HD LYS 3 1HD LYS 3 7.912 -10.205 4.119 29 1HE LYS 3 2HE LYS 3 10.370 -10.101 5.867 30 2HE LYS 3 1HE LYS 3 10.314 -9.205 4.337 31 1HZ LYS 3 1HZ LYS 3 8.004 -9.091 6.148 32 2HZ LYS 3 2HZ LYS 3 8.547 -7.940 5.023 33 3HZ LYS 3 3HZ LYS 3 9.360 -8.137 6.502 34 H LEU 4 H LEU 4 5.696 -12.502 6.288 35 HA LEU 4 HA LEU 4 3.760 -14.777 5.994 36 1HB LEU 4 2HB LEU 4 3.444 -12.299 7.720 37 2HB LEU 4 1HB LEU 4 2.372 -13.697 7.676 38 HG LEU 4 HG LEU 4 5.183 -14.365 8.249 39 1HD1 LEU 4 1HD1 LEU 4 3.819 -13.274 10.626 40 2HD1 LEU 4 2HD1 LEU 4 4.323 -12.057 9.456 41 3HD1 LEU 4 3HD1 LEU 4 5.513 -13.158 10.149 42 1HD2 LEU 4 1HD2 LEU 4 2.854 -15.675 8.439 43 2HD2 LEU 4 2HD2 LEU 4 2.882 -14.973 10.056 44 3HD2 LEU 4 3HD2 LEU 4 4.199 -16.019 9.525 45 H PHE 5 H PHE 5 4.994 -12.531 4.230 46 HA PHE 5 HA PHE 5 2.794 -10.742 3.588 47 1HB PHE 5 2HB PHE 5 5.571 -11.178 2.964 48 2HB PHE 5 1HB PHE 5 4.669 -10.958 1.465 49 HD1 PHE 5 HD1 PHE 5 5.077 -8.745 0.770 50 HD2 PHE 5 HD2 PHE 5 4.085 -9.530 4.877 51 HE1 PHE 5 HE1 PHE 5 4.952 -6.306 1.209 52 HE2 PHE 5 HE2 PHE 5 3.960 -7.091 5.313 53 HZ PHE 5 HZ PHE 5 4.393 -5.480 3.479 54 H LYS 6 H LYS 6 2.638 -10.799 0.845 55 HA LYS 6 HA LYS 6 2.059 -13.506 -0.141 56 1HB LYS 6 2HB LYS 6 0.069 -11.762 1.136 57 2HB LYS 6 1HB LYS 6 -0.416 -12.297 -0.472 58 1HG LYS 6 2HG LYS 6 0.389 -14.652 0.377 59 2HG LYS 6 1HG LYS 6 0.153 -13.943 1.974 60 1HD LYS 6 2HD LYS 6 -2.151 -13.160 0.825 61 2HD LYS 6 1HD LYS 6 -1.859 -14.626 -0.112 62 1HE LYS 6 2HE LYS 6 -1.856 -14.508 2.928 63 2HE LYS 6 1HE LYS 6 -3.207 -15.096 1.938 64 1HZ LYS 6 1HZ LYS 6 -1.610 -16.860 2.674 65 2HZ LYS 6 2HZ LYS 6 -0.434 -16.125 1.691 66 3HZ LYS 6 3HZ LYS 6 -1.845 -16.771 0.997 67 H LYS 7 H LYS 7 1.551 -10.004 -0.556 68 HA LYS 7 HA LYS 7 2.753 -9.948 -3.179 69 1HB LYS 7 2HB LYS 7 0.017 -10.805 -2.932 70 2HB LYS 7 1HB LYS 7 0.058 -9.261 -3.785 71 1HG LYS 7 2HG LYS 7 0.998 -10.183 -5.623 72 2HG LYS 7 1HG LYS 7 2.162 -11.101 -4.667 73 1HD LYS 7 2HD LYS 7 0.966 -12.955 -5.108 74 2HD LYS 7 1HD LYS 7 -0.346 -12.276 -4.143 75 1HE LYS 7 2HE LYS 7 -1.240 -11.130 -6.144 76 2HE LYS 7 1HE LYS 7 0.074 -11.816 -7.120 77 1HZ LYS 7 1HZ LYS 7 -2.270 -13.114 -6.011 78 2HZ LYS 7 2HZ LYS 7 -0.820 -13.981 -5.827 79 3HZ LYS 7 3HZ LYS 7 -1.350 -13.523 -7.375 80 H ILE 8 H ILE 8 2.339 -7.724 -4.216 81 HA ILE 8 HA ILE 8 1.636 -5.706 -2.113 82 HB ILE 8 HB ILE 8 3.798 -5.429 -4.210 83 1HG1 ILE 8 2HG1 ILE 8 3.870 -6.694 -1.467 84 2HG1 ILE 8 1HG1 ILE 8 4.538 -7.312 -2.976 85 1HG2 ILE 8 1HG2 ILE 8 2.609 -3.618 -2.473 86 2HG2 ILE 8 2HG2 ILE 8 4.187 -3.420 -3.235 87 3HG2 ILE 8 3HG2 ILE 8 4.070 -4.099 -1.612 88 1HD1 ILE 8 1HD1 ILE 8 5.831 -4.870 -2.648 89 2HD1 ILE 8 2HD1 ILE 8 6.515 -6.457 -2.294 90 3HD1 ILE 8 3HD1 ILE 8 5.750 -5.519 -1.010 91 H GLY 9 H GLY 9 1.265 -6.770 -5.392 92 1HA GLY 9 2HA GLY 9 0.590 -4.335 -6.678 93 2HA GLY 9 1HA GLY 9 -0.064 -5.908 -7.135 94 H ILE 10 H ILE 10 -1.020 -6.138 -4.261 95 HA ILE 10 HA ILE 10 -3.530 -4.554 -4.623 96 HB ILE 10 HB ILE 10 -3.095 -6.968 -2.853 97 1HG1 ILE 10 2HG1 ILE 10 -3.871 -6.935 -5.788 98 2HG1 ILE 10 1HG1 ILE 10 -2.343 -7.530 -5.143 99 1HG2 ILE 10 1HG2 ILE 10 -5.428 -5.487 -4.029 100 2HG2 ILE 10 2HG2 ILE 10 -5.196 -6.071 -2.383 101 3HG2 ILE 10 3HG2 ILE 10 -5.593 -7.206 -3.672 102 1HD1 ILE 10 1HD1 ILE 10 -3.375 -9.351 -4.049 103 2HD1 ILE 10 2HD1 ILE 10 -4.197 -9.272 -5.608 104 3HD1 ILE 10 3HD1 ILE 10 -4.978 -8.625 -4.165 105 H GLY 11 H GLY 11 -0.695 -4.678 -2.810 106 1HA GLY 11 2HA GLY 11 -1.461 -4.151 -0.169 107 2HA GLY 11 1HA GLY 11 -0.026 -3.454 -0.910 108 H LYS 12 H LYS 12 -1.113 -1.870 -2.827 109 HA LYS 12 HA LYS 12 -2.095 0.403 -1.279 110 1HB LYS 12 2HB LYS 12 -1.918 0.104 -4.286 111 2HB LYS 12 1HB LYS 12 -1.753 1.580 -3.335 112 1HG LYS 12 2HG LYS 12 0.203 -0.015 -2.247 113 2HG LYS 12 1HG LYS 12 0.248 -0.492 -3.944 114 1HD LYS 12 2HD LYS 12 1.261 1.435 -4.513 115 2HD LYS 12 1HD LYS 12 -0.008 2.377 -3.732 116 1HE LYS 12 2HE LYS 12 2.291 1.083 -2.224 117 2HE LYS 12 1HE LYS 12 2.266 2.784 -2.732 118 1HZ LYS 12 1HZ LYS 12 0.768 1.471 -0.638 119 2HZ LYS 12 2HZ LYS 12 -0.176 2.468 -1.639 120 3HZ LYS 12 3HZ LYS 12 1.165 3.109 -0.818 121 H PHE 13 H PHE 13 -3.600 -2.281 -2.611 122 HA PHE 13 HA PHE 13 -5.993 -1.125 -3.728 123 1HB PHE 13 2HB PHE 13 -4.932 -3.469 -3.972 124 2HB PHE 13 1HB PHE 13 -5.711 -3.833 -2.433 125 HD1 PHE 13 HD1 PHE 13 -6.121 -4.163 -5.847 126 HD2 PHE 13 HD2 PHE 13 -8.277 -2.827 -2.381 127 HE1 PHE 13 HE1 PHE 13 -8.268 -4.572 -7.021 128 HE2 PHE 13 HE2 PHE 13 -10.422 -3.235 -3.555 129 HZ PHE 13 HZ PHE 13 -10.417 -4.108 -5.878 130 H LEU 14 H LEU 14 -5.636 -2.999 -0.760 131 HA LEU 14 HA LEU 14 -8.096 -2.218 0.424 132 1HB LEU 14 2HB LEU 14 -7.145 -3.230 2.416 133 2HB LEU 14 1HB LEU 14 -6.581 -4.146 1.018 134 HG LEU 14 HG LEU 14 -4.798 -1.930 1.544 135 1HD1 LEU 14 1HD1 LEU 14 -5.131 -1.931 3.831 136 2HD1 LEU 14 2HD1 LEU 14 -3.960 -3.245 3.715 137 3HD1 LEU 14 3HD1 LEU 14 -5.679 -3.607 3.855 138 1HD2 LEU 14 1HD2 LEU 14 -3.290 -3.501 0.895 139 2HD2 LEU 14 2HD2 LEU 14 -4.697 -4.502 0.537 140 3HD2 LEU 14 3HD2 LEU 14 -3.869 -4.667 2.086 141 H HIS 15 H HIS 15 -5.177 -0.484 0.034 142 HA HIS 15 HA HIS 15 -5.327 1.271 2.322 143 1HB HIS 15 2HB HIS 15 -3.506 0.642 0.452 144 2HB HIS 15 1HB HIS 15 -4.154 2.099 -0.294 145 HD1 HIS 15 HD1 HIS 15 -4.387 4.172 1.650 146 HD2 HIS 15 HD2 HIS 15 -1.470 1.244 2.184 147 HE1 HIS 15 HE1 HIS 15 -2.676 5.145 3.245 148 H SER 16 H SER 16 -5.921 2.017 -1.136 149 HA SER 16 HA SER 16 -7.391 4.422 -0.604 150 1HB SER 16 2HB SER 16 -7.664 4.441 -2.948 151 2HB SER 16 1HB SER 16 -6.195 3.493 -2.733 152 HG SER 16 HG SER 16 -8.844 2.556 -3.136 153 H ALA 17 H ALA 17 -8.210 1.134 -0.308 154 HA ALA 17 HA ALA 17 -11.015 1.191 -0.931 155 1HB ALA 17 1HB ALA 17 -9.132 -0.672 -0.236 156 2HB ALA 17 2HB ALA 17 -10.867 -0.990 -0.231 157 3HB ALA 17 3HB ALA 17 -10.046 -0.549 1.268 158 H LYS 18 H LYS 18 -9.204 1.626 2.123 159 HA LYS 18 HA LYS 18 -11.583 2.239 3.678 160 1HB LYS 18 2HB LYS 18 -8.747 3.019 4.357 161 2HB LYS 18 1HB LYS 18 -10.029 2.494 5.448 162 1HG LYS 18 2HG LYS 18 -9.911 0.273 4.022 163 2HG LYS 18 1HG LYS 18 -8.289 0.851 3.643 164 1HD LYS 18 2HD LYS 18 -7.601 0.015 5.615 165 2HD LYS 18 1HD LYS 18 -8.597 1.229 6.418 166 1HE LYS 18 2HE LYS 18 -10.358 -0.260 6.780 167 2HE LYS 18 1HE LYS 18 -9.899 -1.291 5.411 168 1HZ LYS 18 1HZ LYS 18 -8.317 -2.342 6.605 169 2HZ LYS 18 2HZ LYS 18 -9.263 -1.861 7.933 170 3HZ LYS 18 3HZ LYS 18 -7.895 -0.957 7.488 171 H LYS 19 H LYS 19 -9.458 3.985 1.614 172 HA LYS 19 HA LYS 19 -10.146 6.646 2.681 173 1HB LYS 19 2HB LYS 19 -8.180 5.414 0.987 174 2HB LYS 19 1HB LYS 19 -8.929 6.745 0.106 175 1HG LYS 19 2HG LYS 19 -8.141 7.204 2.957 176 2HG LYS 19 1HG LYS 19 -6.872 7.178 1.732 177 1HD LYS 19 2HD LYS 19 -7.393 9.324 1.284 178 2HD LYS 19 1HD LYS 19 -8.910 8.735 0.605 179 1HE LYS 19 2HE LYS 19 -9.317 8.727 3.391 180 2HE LYS 19 1HE LYS 19 -8.493 10.261 3.035 181 1HZ LYS 19 1HZ LYS 19 -10.911 10.409 2.696 182 2HZ LYS 19 2HZ LYS 19 -10.815 9.185 1.522 183 3HZ LYS 19 3HZ LYS 19 -10.048 10.680 1.261 184 H PHE 20 H PHE 20 -10.323 5.462 -0.684 185 HA PHE 20 HA PHE 20 -12.793 7.058 -1.089 186 1HB PHE 20 2HB PHE 20 -10.608 6.878 -2.559 187 2HB PHE 20 1HB PHE 20 -11.379 5.418 -3.174 188 HD1 PHE 20 HD1 PHE 20 -10.843 7.627 -5.020 189 HD2 PHE 20 HD2 PHE 20 -14.201 6.992 -2.414 190 HE1 PHE 20 HE1 PHE 20 -12.265 9.007 -6.512 191 HE2 PHE 20 HE2 PHE 20 -15.619 8.374 -3.907 192 HZ PHE 20 HZ PHE 20 -14.651 9.380 -5.956 193 1HN NH2 21 1HN NH2 21 -11.688 3.639 -1.439 194 2HN NH2 21 2HN NH2 21 -13.248 2.972 -1.477 Start of MODEL 6 1 1H LYS 1 1H LYS 1 0.971 -2.466 17.737 2 2H LYS 1 2H LYS 1 -0.518 -2.991 17.107 3 3H LYS 1 3H LYS 1 -0.363 -1.418 17.731 4 HA LYS 1 HA LYS 1 0.586 -0.603 15.862 5 1HB LYS 1 2HB LYS 1 2.599 -1.909 16.318 6 2HB LYS 1 1HB LYS 1 1.829 -3.366 15.691 7 1HG LYS 1 2HG LYS 1 2.279 -2.801 13.549 8 2HG LYS 1 1HG LYS 1 1.730 -1.143 13.792 9 1HD LYS 1 2HD LYS 1 4.319 -1.936 15.052 10 2HD LYS 1 1HD LYS 1 4.299 -1.704 13.303 11 1HE LYS 1 2HE LYS 1 4.793 0.465 14.108 12 2HE LYS 1 1HE LYS 1 3.034 0.533 13.886 13 1HZ LYS 1 1HZ LYS 1 4.037 -0.553 16.406 14 2HZ LYS 1 2HZ LYS 1 2.641 0.367 16.102 15 3HZ LYS 1 3HZ LYS 1 4.160 1.125 16.190 16 H ALA 2 H ALA 2 -2.036 -1.654 15.955 17 HA ALA 2 HA ALA 2 -3.784 -2.288 14.497 18 1HB ALA 2 1HB ALA 2 -1.815 -2.067 12.242 19 2HB ALA 2 2HB ALA 2 -2.202 -0.625 13.180 20 3HB ALA 2 3HB ALA 2 -3.479 -1.489 12.325 21 H LYS 3 H LYS 3 -3.959 -3.847 12.309 22 HA LYS 3 HA LYS 3 -2.365 -6.316 12.899 23 1HB LYS 3 2HB LYS 3 -5.347 -6.053 12.374 24 2HB LYS 3 1HB LYS 3 -4.488 -7.572 12.635 25 1HG LYS 3 2HG LYS 3 -3.932 -6.976 14.888 26 2HG LYS 3 1HG LYS 3 -4.456 -5.309 14.644 27 1HD LYS 3 2HD LYS 3 -6.781 -6.163 14.234 28 2HD LYS 3 1HD LYS 3 -6.216 -7.776 14.669 29 1HE LYS 3 2HE LYS 3 -5.793 -5.435 16.535 30 2HE LYS 3 1HE LYS 3 -7.296 -6.377 16.560 31 1HZ LYS 3 1HZ LYS 3 -5.070 -7.098 17.866 32 2HZ LYS 3 2HZ LYS 3 -4.861 -7.940 16.405 33 3HZ LYS 3 3HZ LYS 3 -6.256 -8.191 17.343 34 H LEU 4 H LEU 4 -1.195 -5.302 10.951 35 HA LEU 4 HA LEU 4 -2.428 -6.352 8.439 36 1HB LEU 4 2HB LEU 4 -1.135 -3.641 8.901 37 2HB LEU 4 1HB LEU 4 -1.653 -4.252 7.329 38 HG LEU 4 HG LEU 4 -3.840 -4.593 9.110 39 1HD1 LEU 4 1HD1 LEU 4 -2.369 -1.985 9.401 40 2HD1 LEU 4 2HD1 LEU 4 -3.148 -2.964 10.644 41 3HD1 LEU 4 3HD1 LEU 4 -4.128 -2.023 9.521 42 1HD2 LEU 4 1HD2 LEU 4 -4.294 -4.235 6.834 43 2HD2 LEU 4 2HD2 LEU 4 -3.186 -2.867 6.730 44 3HD2 LEU 4 3HD2 LEU 4 -4.734 -2.687 7.556 45 H PHE 5 H PHE 5 -0.487 -7.726 9.915 46 HA PHE 5 HA PHE 5 2.193 -7.065 8.938 47 1HB PHE 5 2HB PHE 5 0.875 -9.196 10.617 48 2HB PHE 5 1HB PHE 5 2.568 -9.320 10.164 49 HD1 PHE 5 HD1 PHE 5 0.933 -8.708 12.926 50 HD2 PHE 5 HD2 PHE 5 3.391 -6.456 10.215 51 HE1 PHE 5 HE1 PHE 5 1.529 -7.150 14.760 52 HE2 PHE 5 HE2 PHE 5 3.985 -4.899 12.048 53 HZ PHE 5 HZ PHE 5 3.055 -5.245 14.321 54 H LYS 6 H LYS 6 0.085 -7.745 6.896 55 HA LYS 6 HA LYS 6 1.594 -9.923 5.535 56 1HB LYS 6 2HB LYS 6 -0.512 -10.649 6.921 57 2HB LYS 6 1HB LYS 6 -1.418 -9.930 5.589 58 1HG LYS 6 2HG LYS 6 -1.196 -11.987 4.638 59 2HG LYS 6 1HG LYS 6 0.423 -11.419 4.222 60 1HD LYS 6 2HD LYS 6 1.334 -13.003 5.533 61 2HD LYS 6 1HD LYS 6 0.458 -12.369 6.926 62 1HE LYS 6 2HE LYS 6 -1.567 -13.679 6.139 63 2HE LYS 6 1HE LYS 6 -0.503 -14.461 4.952 64 1HZ LYS 6 1HZ LYS 6 0.564 -14.296 7.639 65 2HZ LYS 6 2HZ LYS 6 0.593 -15.588 6.537 66 3HZ LYS 6 3HZ LYS 6 -0.789 -15.305 7.482 67 H LYS 7 H LYS 7 1.789 -7.233 4.861 68 HA LYS 7 HA LYS 7 0.558 -7.221 2.170 69 1HB LYS 7 2HB LYS 7 -0.524 -5.048 2.577 70 2HB LYS 7 1HB LYS 7 -1.111 -6.241 3.735 71 1HG LYS 7 2HG LYS 7 -0.553 -4.732 5.326 72 2HG LYS 7 1HG LYS 7 1.116 -5.206 5.006 73 1HD LYS 7 2HD LYS 7 1.130 -3.449 3.160 74 2HD LYS 7 1HD LYS 7 -0.401 -2.873 3.819 75 1HE LYS 7 2HE LYS 7 1.389 -1.556 4.818 76 2HE LYS 7 1HE LYS 7 0.762 -2.648 6.069 77 1HZ LYS 7 1HZ LYS 7 2.790 -3.810 4.372 78 2HZ LYS 7 2HZ LYS 7 2.624 -3.870 6.062 79 3HZ LYS 7 3HZ LYS 7 3.350 -2.524 5.323 80 H ILE 8 H ILE 8 2.206 -6.600 0.826 81 HA ILE 8 HA ILE 8 4.181 -4.586 1.852 82 HB ILE 8 HB ILE 8 4.766 -6.843 -0.075 83 1HG1 ILE 8 2HG1 ILE 8 4.741 -6.832 2.948 84 2HG1 ILE 8 1HG1 ILE 8 4.009 -8.006 1.856 85 1HG2 ILE 8 1HG2 ILE 8 6.220 -4.625 0.715 86 2HG2 ILE 8 2HG2 ILE 8 6.905 -6.101 0.036 87 3HG2 ILE 8 3HG2 ILE 8 6.827 -5.889 1.785 88 1HD1 ILE 8 1HD1 ILE 8 6.731 -7.906 2.908 89 2HD1 ILE 8 2HD1 ILE 8 6.704 -8.038 1.149 90 3HD1 ILE 8 3HD1 ILE 8 5.878 -9.243 2.138 91 H GLY 9 H GLY 9 3.085 -6.146 -1.193 92 1HA GLY 9 2HA GLY 9 3.336 -3.471 -2.503 93 2HA GLY 9 1HA GLY 9 3.508 -5.004 -3.357 94 H ILE 10 H ILE 10 1.083 -5.595 -1.274 95 HA ILE 10 HA ILE 10 -0.990 -4.885 -3.304 96 HB ILE 10 HB ILE 10 -1.279 -6.803 -0.993 97 1HG1 ILE 10 2HG1 ILE 10 -0.104 -7.475 -3.712 98 2HG1 ILE 10 1HG1 ILE 10 0.847 -7.320 -2.234 99 1HG2 ILE 10 1HG2 ILE 10 -2.495 -7.861 -3.225 100 2HG2 ILE 10 2HG2 ILE 10 -2.713 -6.129 -3.475 101 3HG2 ILE 10 3HG2 ILE 10 -3.312 -6.889 -2.001 102 1HD1 ILE 10 1HD1 ILE 10 -1.447 -9.052 -1.817 103 2HD1 ILE 10 2HD1 ILE 10 0.265 -9.387 -1.554 104 3HD1 ILE 10 3HD1 ILE 10 -0.448 -9.633 -3.148 105 H GLY 11 H GLY 11 0.194 -3.892 -0.321 106 1HA GLY 11 2HA GLY 11 -2.117 -3.350 1.206 107 2HA GLY 11 1HA GLY 11 -0.638 -2.402 1.294 108 H LYS 12 H LYS 12 -0.975 -1.878 -1.685 109 HA LYS 12 HA LYS 12 -2.260 0.681 -1.491 110 1HB LYS 12 2HB LYS 12 -0.589 -0.625 -3.222 111 2HB LYS 12 1HB LYS 12 -2.100 -0.640 -4.135 112 1HG LYS 12 2HG LYS 12 -1.693 1.494 -4.720 113 2HG LYS 12 1HG LYS 12 -1.911 1.944 -3.028 114 1HD LYS 12 2HD LYS 12 0.718 0.766 -3.564 115 2HD LYS 12 1HD LYS 12 0.430 2.250 -4.474 116 1HE LYS 12 2HE LYS 12 1.167 3.223 -2.514 117 2HE LYS 12 1HE LYS 12 -0.528 3.002 -2.041 118 1HZ LYS 12 1HZ LYS 12 0.703 0.553 -1.671 119 2HZ LYS 12 2HZ LYS 12 0.181 1.627 -0.464 120 3HZ LYS 12 3HZ LYS 12 1.780 1.695 -1.030 121 H PHE 13 H PHE 13 -3.393 -2.513 -2.509 122 HA PHE 13 HA PHE 13 -5.838 -1.853 -3.740 123 1HB PHE 13 2HB PHE 13 -4.579 -4.085 -3.355 124 2HB PHE 13 1HB PHE 13 -5.453 -4.146 -1.828 125 HD1 PHE 13 HD1 PHE 13 -7.912 -4.319 -1.785 126 HD2 PHE 13 HD2 PHE 13 -5.721 -4.374 -5.477 127 HE1 PHE 13 HE1 PHE 13 -9.915 -5.190 -2.960 128 HE2 PHE 13 HE2 PHE 13 -7.723 -5.244 -6.654 129 HZ PHE 13 HZ PHE 13 -9.819 -5.651 -5.395 130 H LEU 14 H LEU 14 -5.458 -2.881 -0.388 131 HA LEU 14 HA LEU 14 -8.059 -1.899 0.438 132 1HB LEU 14 2HB LEU 14 -5.574 -2.926 1.822 133 2HB LEU 14 1HB LEU 14 -7.014 -2.450 2.724 134 HG LEU 14 HG LEU 14 -7.445 -4.263 0.408 135 1HD1 LEU 14 1HD1 LEU 14 -5.417 -4.872 2.254 136 2HD1 LEU 14 2HD1 LEU 14 -6.210 -5.998 1.153 137 3HD1 LEU 14 3HD1 LEU 14 -6.819 -5.796 2.795 138 1HD2 LEU 14 1HD2 LEU 14 -9.304 -3.515 1.814 139 2HD2 LEU 14 2HD2 LEU 14 -8.483 -4.113 3.256 140 3HD2 LEU 14 3HD2 LEU 14 -9.058 -5.248 2.036 141 H HIS 15 H HIS 15 -5.296 -0.220 -0.343 142 HA HIS 15 HA HIS 15 -5.180 1.698 1.836 143 1HB HIS 15 2HB HIS 15 -3.502 0.944 -0.084 144 2HB HIS 15 1HB HIS 15 -4.273 2.263 -0.962 145 HD1 HIS 15 HD1 HIS 15 -4.684 4.308 1.261 146 HD2 HIS 15 HD2 HIS 15 -1.163 2.118 0.830 147 HE1 HIS 15 HE1 HIS 15 -2.873 5.624 2.445 148 H SER 16 H SER 16 -6.214 2.078 -1.581 149 HA SER 16 HA SER 16 -7.642 4.549 -1.005 150 1HB SER 16 2HB SER 16 -7.372 4.692 -3.246 151 2HB SER 16 1HB SER 16 -6.649 3.087 -3.225 152 HG SER 16 HG SER 16 -9.405 3.742 -3.466 153 H ALA 17 H ALA 17 -8.364 1.312 -0.472 154 HA ALA 17 HA ALA 17 -11.211 1.350 -1.109 155 1HB ALA 17 1HB ALA 17 -10.723 -0.850 -0.944 156 2HB ALA 17 2HB ALA 17 -10.576 -0.647 0.801 157 3HB ALA 17 3HB ALA 17 -9.154 -0.478 -0.228 158 H LYS 18 H LYS 18 -9.316 1.461 1.938 159 HA LYS 18 HA LYS 18 -11.707 2.043 3.526 160 1HB LYS 18 2HB LYS 18 -8.791 2.275 4.306 161 2HB LYS 18 1HB LYS 18 -10.163 1.940 5.363 162 1HG LYS 18 2HG LYS 18 -10.522 -0.159 3.884 163 2HG LYS 18 1HG LYS 18 -8.870 0.126 3.334 164 1HD LYS 18 2HD LYS 18 -8.194 -1.013 5.159 165 2HD LYS 18 1HD LYS 18 -8.705 0.388 6.102 166 1HE LYS 18 2HE LYS 18 -11.040 -1.155 5.475 167 2HE LYS 18 1HE LYS 18 -9.814 -2.237 6.166 168 1HZ LYS 18 1HZ LYS 18 -10.678 -1.325 8.066 169 2HZ LYS 18 2HZ LYS 18 -11.039 0.164 7.333 170 3HZ LYS 18 3HZ LYS 18 -9.436 -0.216 7.750 171 H LYS 19 H LYS 19 -9.399 3.831 1.747 172 HA LYS 19 HA LYS 19 -9.517 6.323 3.243 173 1HB LYS 19 2HB LYS 19 -8.462 5.267 0.667 174 2HB LYS 19 1HB LYS 19 -8.739 7.008 0.740 175 1HG LYS 19 2HG LYS 19 -7.450 7.025 2.909 176 2HG LYS 19 1HG LYS 19 -7.014 5.348 2.581 177 1HD LYS 19 2HD LYS 19 -5.951 6.005 0.475 178 2HD LYS 19 1HD LYS 19 -6.442 7.679 0.730 179 1HE LYS 19 2HE LYS 19 -4.862 6.335 2.897 180 2HE LYS 19 1HE LYS 19 -4.007 6.888 1.443 181 1HZ LYS 19 1HZ LYS 19 -4.357 9.021 1.958 182 2HZ LYS 19 2HZ LYS 19 -4.738 8.477 3.521 183 3HZ LYS 19 3HZ LYS 19 -5.975 8.756 2.393 184 H PHE 20 H PHE 20 -11.264 4.917 0.515 185 HA PHE 20 HA PHE 20 -12.836 7.370 0.069 186 1HB PHE 20 2HB PHE 20 -11.856 5.453 -1.525 187 2HB PHE 20 1HB PHE 20 -13.422 4.724 -1.180 188 HD1 PHE 20 HD1 PHE 20 -14.687 5.028 -3.125 189 HD2 PHE 20 HD2 PHE 20 -12.481 8.330 -1.492 190 HE1 PHE 20 HE1 PHE 20 -15.768 6.552 -4.759 191 HE2 PHE 20 HE2 PHE 20 -13.561 9.858 -3.126 192 HZ PHE 20 HZ PHE 20 -15.205 8.967 -4.759 193 1HN NH2 21 1HN NH2 21 -13.169 6.036 2.720 194 2HN NH2 21 2HN NH2 21 -14.782 5.515 2.801 Start of MODEL 7 1 1H LYS 1 1H LYS 1 15.938 -17.414 -6.890 2 2H LYS 1 2H LYS 1 17.112 -16.736 -5.866 3 3H LYS 1 3H LYS 1 17.366 -16.774 -7.545 4 HA LYS 1 HA LYS 1 15.631 -14.994 -5.968 5 1HB LYS 1 2HB LYS 1 17.968 -14.979 -7.694 6 2HB LYS 1 1HB LYS 1 16.747 -13.852 -8.285 7 1HG LYS 1 2HG LYS 1 16.653 -12.722 -6.157 8 2HG LYS 1 1HG LYS 1 17.677 -13.947 -5.404 9 1HD LYS 1 2HD LYS 1 19.580 -13.021 -6.216 10 2HD LYS 1 1HD LYS 1 18.864 -12.728 -7.801 11 1HE LYS 1 2HE LYS 1 18.392 -11.035 -5.317 12 2HE LYS 1 1HE LYS 1 19.388 -10.576 -6.713 13 1HZ LYS 1 1HZ LYS 1 17.138 -11.375 -7.912 14 2HZ LYS 1 2HZ LYS 1 17.455 -9.759 -7.493 15 3HZ LYS 1 3HZ LYS 1 16.499 -10.732 -6.479 16 H ALA 2 H ALA 2 15.867 -16.652 -9.102 17 HA ALA 2 HA ALA 2 14.282 -16.873 -10.842 18 1HB ALA 2 1HB ALA 2 12.440 -17.764 -9.873 19 2HB ALA 2 2HB ALA 2 11.972 -16.197 -9.212 20 3HB ALA 2 3HB ALA 2 13.086 -17.232 -8.320 21 H LYS 3 H LYS 3 12.413 -15.597 -11.942 22 HA LYS 3 HA LYS 3 12.580 -12.674 -11.337 23 1HB LYS 3 2HB LYS 3 12.755 -12.439 -13.906 24 2HB LYS 3 1HB LYS 3 14.196 -12.991 -13.053 25 1HG LYS 3 2HG LYS 3 13.807 -15.267 -13.666 26 2HG LYS 3 1HG LYS 3 12.172 -14.909 -14.223 27 1HD LYS 3 2HD LYS 3 12.942 -14.423 -16.279 28 2HD LYS 3 1HD LYS 3 14.035 -13.211 -15.609 29 1HE LYS 3 2HE LYS 3 15.812 -14.568 -15.969 30 2HE LYS 3 1HE LYS 3 15.042 -15.868 -15.038 31 1HZ LYS 3 1HZ LYS 3 13.700 -16.424 -16.957 32 2HZ LYS 3 2HZ LYS 3 15.345 -16.491 -17.374 33 3HZ LYS 3 3HZ LYS 3 14.398 -15.167 -17.855 34 H LEU 4 H LEU 4 10.369 -13.861 -10.507 35 HA LEU 4 HA LEU 4 8.343 -13.192 -12.597 36 1HB LEU 4 2HB LEU 4 7.095 -15.259 -11.809 37 2HB LEU 4 1HB LEU 4 8.590 -15.587 -12.683 38 HG LEU 4 HG LEU 4 9.668 -15.546 -10.281 39 1HD1 LEU 4 1HD1 LEU 4 7.290 -16.789 -9.198 40 2HD1 LEU 4 2HD1 LEU 4 6.950 -15.122 -9.661 41 3HD1 LEU 4 3HD1 LEU 4 8.255 -15.473 -8.528 42 1HD2 LEU 4 1HD2 LEU 4 9.885 -17.614 -11.243 43 2HD2 LEU 4 2HD2 LEU 4 8.201 -17.661 -11.765 44 3HD2 LEU 4 3HD2 LEU 4 8.617 -18.040 -10.094 45 H PHE 5 H PHE 5 9.502 -12.501 -9.604 46 HA PHE 5 HA PHE 5 7.363 -12.520 -7.799 47 1HB PHE 5 2HB PHE 5 8.569 -10.348 -7.026 48 2HB PHE 5 1HB PHE 5 9.486 -11.844 -7.029 49 HD1 PHE 5 HD1 PHE 5 8.713 -8.839 -9.123 50 HD2 PHE 5 HD2 PHE 5 11.473 -12.017 -8.267 51 HE1 PHE 5 HE1 PHE 5 10.359 -7.829 -10.679 52 HE2 PHE 5 HE2 PHE 5 13.120 -11.007 -9.821 53 HZ PHE 5 HZ PHE 5 12.563 -8.915 -11.029 54 H LYS 6 H LYS 6 5.683 -10.999 -7.360 55 HA LYS 6 HA LYS 6 5.224 -8.800 -9.305 56 1HB LYS 6 2HB LYS 6 4.282 -11.199 -9.944 57 2HB LYS 6 1HB LYS 6 3.015 -10.764 -8.796 58 1HG LYS 6 2HG LYS 6 2.131 -9.187 -10.176 59 2HG LYS 6 1HG LYS 6 3.716 -8.631 -10.714 60 1HD LYS 6 2HD LYS 6 3.844 -10.876 -11.998 61 2HD LYS 6 1HD LYS 6 2.103 -10.968 -11.733 62 1HE LYS 6 2HE LYS 6 2.099 -9.810 -13.743 63 2HE LYS 6 1HE LYS 6 2.258 -8.427 -12.641 64 1HZ LYS 6 1HZ LYS 6 4.798 -9.379 -12.862 65 2HZ LYS 6 2HZ LYS 6 4.177 -8.028 -13.685 66 3HZ LYS 6 3HZ LYS 6 4.198 -9.551 -14.439 67 H LYS 7 H LYS 7 5.720 -7.844 -7.013 68 HA LYS 7 HA LYS 7 3.113 -7.523 -5.572 69 1HB LYS 7 2HB LYS 7 5.589 -8.736 -4.703 70 2HB LYS 7 1HB LYS 7 5.229 -7.326 -3.705 71 1HG LYS 7 2HG LYS 7 3.735 -8.579 -2.580 72 2HG LYS 7 1HG LYS 7 2.770 -8.663 -4.053 73 1HD LYS 7 2HD LYS 7 3.116 -10.921 -3.682 74 2HD LYS 7 1HD LYS 7 4.523 -10.560 -4.683 75 1HE LYS 7 2HE LYS 7 5.915 -11.125 -2.989 76 2HE LYS 7 1HE LYS 7 5.109 -9.975 -1.904 77 1HZ LYS 7 1HZ LYS 7 3.234 -11.710 -1.897 78 2HZ LYS 7 2HZ LYS 7 4.612 -12.016 -0.951 79 3HZ LYS 7 3HZ LYS 7 4.416 -12.793 -2.450 80 H ILE 8 H ILE 8 2.763 -5.405 -6.383 81 HA ILE 8 HA ILE 8 4.699 -3.348 -5.415 82 HB ILE 8 HB ILE 8 3.361 -3.365 -8.131 83 1HG1 ILE 8 2HG1 ILE 8 5.909 -4.602 -7.155 84 2HG1 ILE 8 1HG1 ILE 8 4.795 -5.170 -8.395 85 1HG2 ILE 8 1HG2 ILE 8 4.565 -1.438 -8.562 86 2HG2 ILE 8 2HG2 ILE 8 5.872 -1.886 -7.466 87 3HG2 ILE 8 3HG2 ILE 8 4.357 -1.258 -6.819 88 1HD1 ILE 8 1HD1 ILE 8 6.948 -4.399 -9.371 89 2HD1 ILE 8 2HD1 ILE 8 6.661 -2.795 -8.696 90 3HD1 ILE 8 3HD1 ILE 8 5.585 -3.433 -9.940 91 H GLY 9 H GLY 9 1.595 -3.534 -7.207 92 1HA GLY 9 2HA GLY 9 0.541 -1.210 -5.815 93 2HA GLY 9 1HA GLY 9 -0.359 -2.244 -6.925 94 H ILE 10 H ILE 10 1.034 -4.296 -4.748 95 HA ILE 10 HA ILE 10 -1.434 -4.982 -3.476 96 HB ILE 10 HB ILE 10 1.341 -5.559 -2.422 97 1HG1 ILE 10 2HG1 ILE 10 1.632 -6.019 -4.729 98 2HG1 ILE 10 1HG1 ILE 10 1.162 -7.572 -4.050 99 1HG2 ILE 10 1HG2 ILE 10 -0.531 -7.764 -2.622 100 2HG2 ILE 10 2HG2 ILE 10 -1.243 -6.421 -1.730 101 3HG2 ILE 10 3HG2 ILE 10 0.284 -7.123 -1.196 102 1HD1 ILE 10 1HD1 ILE 10 -0.308 -7.487 -5.829 103 2HD1 ILE 10 2HD1 ILE 10 -0.398 -5.726 -5.803 104 3HD1 ILE 10 3HD1 ILE 10 -1.285 -6.673 -4.607 105 H GLY 11 H GLY 11 0.702 -2.422 -2.893 106 1HA GLY 11 2HA GLY 11 0.171 -2.214 -0.017 107 2HA GLY 11 1HA GLY 11 1.085 -1.058 -0.976 108 H LYS 12 H LYS 12 -0.824 -0.619 -2.976 109 HA LYS 12 HA LYS 12 -2.646 1.222 -1.573 110 1HB LYS 12 2HB LYS 12 -1.507 0.780 -4.248 111 2HB LYS 12 1HB LYS 12 -3.188 1.312 -4.290 112 1HG LYS 12 2HG LYS 12 -2.124 3.368 -4.187 113 2HG LYS 12 1HG LYS 12 -2.316 3.041 -2.463 114 1HD LYS 12 2HD LYS 12 -0.087 2.790 -2.143 115 2HD LYS 12 1HD LYS 12 0.107 1.846 -3.620 116 1HE LYS 12 2HE LYS 12 -0.464 4.360 -4.616 117 2HE LYS 12 1HE LYS 12 0.527 4.724 -3.190 118 1HZ LYS 12 1HZ LYS 12 1.191 2.740 -5.303 119 2HZ LYS 12 2HZ LYS 12 2.124 3.058 -3.920 120 3HZ LYS 12 3HZ LYS 12 1.927 4.255 -5.109 121 H PHE 13 H PHE 13 -2.830 -1.974 -2.013 122 HA PHE 13 HA PHE 13 -5.187 -2.608 -3.402 123 1HB PHE 13 2HB PHE 13 -3.544 -4.181 -2.441 124 2HB PHE 13 1HB PHE 13 -4.084 -3.756 -0.822 125 HD1 PHE 13 HD1 PHE 13 -4.440 -6.346 -0.752 126 HD2 PHE 13 HD2 PHE 13 -6.778 -3.671 -3.170 127 HE1 PHE 13 HE1 PHE 13 -6.233 -8.053 -0.909 128 HE2 PHE 13 HE2 PHE 13 -8.569 -5.378 -3.326 129 HZ PHE 13 HZ PHE 13 -8.296 -7.569 -2.197 130 H LEU 14 H LEU 14 -5.673 -3.251 -0.066 131 HA LEU 14 HA LEU 14 -8.311 -2.121 -0.044 132 1HB LEU 14 2HB LEU 14 -8.232 -2.805 2.323 133 2HB LEU 14 1HB LEU 14 -7.525 -4.055 1.298 134 HG LEU 14 HG LEU 14 -5.317 -2.572 1.790 135 1HD1 LEU 14 1HD1 LEU 14 -6.128 -0.971 3.285 136 2HD1 LEU 14 2HD1 LEU 14 -5.535 -2.215 4.385 137 3HD1 LEU 14 3HD1 LEU 14 -7.260 -2.097 4.035 138 1HD2 LEU 14 1HD2 LEU 14 -5.813 -4.356 4.039 139 2HD2 LEU 14 2HD2 LEU 14 -4.672 -4.533 2.706 140 3HD2 LEU 14 3HD2 LEU 14 -6.339 -5.077 2.518 141 H HIS 15 H HIS 15 -5.333 -0.580 0.166 142 HA HIS 15 HA HIS 15 -5.757 1.363 2.222 143 1HB HIS 15 2HB HIS 15 -3.711 0.659 0.697 144 2HB HIS 15 1HB HIS 15 -4.312 1.941 -0.346 145 HD1 HIS 15 HD1 HIS 15 -3.080 4.056 0.123 146 HD2 HIS 15 HD2 HIS 15 -3.739 1.868 3.610 147 HE1 HIS 15 HE1 HIS 15 -2.128 5.433 2.024 148 H SER 16 H SER 16 -6.211 1.624 -1.321 149 HA SER 16 HA SER 16 -7.558 4.170 -1.209 150 1HB SER 16 2HB SER 16 -8.066 3.606 -3.580 151 2HB SER 16 1HB SER 16 -6.380 3.291 -3.181 152 HG SER 16 HG SER 16 -8.293 1.266 -2.836 153 H ALA 17 H ALA 17 -8.590 1.139 -0.211 154 HA ALA 17 HA ALA 17 -11.385 1.341 -1.078 155 1HB ALA 17 1HB ALA 17 -10.493 -0.432 1.150 156 2HB ALA 17 2HB ALA 17 -9.746 -0.692 -0.426 157 3HB ALA 17 3HB ALA 17 -11.497 -0.811 -0.250 158 H LYS 18 H LYS 18 -9.684 1.536 2.084 159 HA LYS 18 HA LYS 18 -12.108 2.609 3.365 160 1HB LYS 18 2HB LYS 18 -9.977 1.053 4.145 161 2HB LYS 18 1HB LYS 18 -9.552 2.625 4.824 162 1HG LYS 18 2HG LYS 18 -12.360 1.636 5.162 163 2HG LYS 18 1HG LYS 18 -11.094 0.943 6.178 164 1HD LYS 18 2HD LYS 18 -10.609 3.709 6.207 165 2HD LYS 18 1HD LYS 18 -12.360 3.550 6.360 166 1HE LYS 18 2HE LYS 18 -12.155 2.146 8.302 167 2HE LYS 18 1HE LYS 18 -10.409 1.958 8.056 168 1HZ LYS 18 1HZ LYS 18 -10.023 3.899 9.044 169 2HZ LYS 18 2HZ LYS 18 -11.657 3.944 9.505 170 3HZ LYS 18 3HZ LYS 18 -11.156 4.704 8.071 171 H LYS 19 H LYS 19 -9.149 3.777 2.009 172 HA LYS 19 HA LYS 19 -9.220 6.389 3.338 173 1HB LYS 19 2HB LYS 19 -7.332 4.853 2.116 174 2HB LYS 19 1HB LYS 19 -7.716 5.979 0.813 175 1HG LYS 19 2HG LYS 19 -7.547 7.689 2.930 176 2HG LYS 19 1HG LYS 19 -6.360 6.469 3.395 177 1HD LYS 19 2HD LYS 19 -5.567 6.709 0.893 178 2HD LYS 19 1HD LYS 19 -6.376 8.273 0.995 179 1HE LYS 19 2HE LYS 19 -4.962 8.283 3.341 180 2HE LYS 19 1HE LYS 19 -3.864 7.376 2.281 181 1HZ LYS 19 1HZ LYS 19 -3.663 9.105 0.837 182 2HZ LYS 19 2HZ LYS 19 -3.935 10.001 2.254 183 3HZ LYS 19 3HZ LYS 19 -5.208 9.723 1.164 184 H PHE 20 H PHE 20 -10.237 5.024 0.228 185 HA PHE 20 HA PHE 20 -11.423 7.683 -0.494 186 1HB PHE 20 2HB PHE 20 -9.534 6.473 -1.846 187 2HB PHE 20 1HB PHE 20 -10.837 5.421 -2.397 188 HD1 PHE 20 HD1 PHE 20 -9.195 8.580 -2.843 189 HD2 PHE 20 HD2 PHE 20 -12.934 6.542 -3.408 190 HE1 PHE 20 HE1 PHE 20 -9.884 10.302 -4.489 191 HE2 PHE 20 HE2 PHE 20 -13.622 8.265 -5.055 192 HZ PHE 20 HZ PHE 20 -12.097 10.145 -5.594 193 1HN NH2 21 1HN NH2 21 -13.477 7.182 0.648 194 2HN NH2 21 2HN NH2 21 -14.548 6.011 0.043 Start of MODEL 8 1 1H LYS 1 1H LYS 1 16.402 -12.084 -12.572 2 2H LYS 1 2H LYS 1 17.803 -12.680 -13.323 3 3H LYS 1 3H LYS 1 17.928 -11.731 -11.921 4 HA LYS 1 HA LYS 1 17.568 -14.551 -12.153 5 1HB LYS 1 2HB LYS 1 18.321 -12.421 -10.183 6 2HB LYS 1 1HB LYS 1 17.987 -14.042 -9.575 7 1HG LYS 1 2HG LYS 1 19.775 -13.776 -11.957 8 2HG LYS 1 1HG LYS 1 20.433 -13.355 -10.377 9 1HD LYS 1 2HD LYS 1 20.541 -15.519 -9.737 10 2HD LYS 1 1HD LYS 1 18.903 -15.842 -10.307 11 1HE LYS 1 2HE LYS 1 19.891 -17.063 -11.956 12 2HE LYS 1 1HE LYS 1 20.358 -15.504 -12.665 13 1HZ LYS 1 1HZ LYS 1 22.266 -17.019 -12.180 14 2HZ LYS 1 2HZ LYS 1 21.906 -16.863 -10.526 15 3HZ LYS 1 3HZ LYS 1 22.372 -15.502 -11.430 16 H ALA 2 H ALA 2 15.771 -15.739 -11.655 17 HA ALA 2 HA ALA 2 13.190 -14.791 -11.312 18 1HB ALA 2 1HB ALA 2 13.432 -17.082 -11.690 19 2HB ALA 2 2HB ALA 2 12.981 -17.066 -9.985 20 3HB ALA 2 3HB ALA 2 14.672 -17.256 -10.449 21 H LYS 3 H LYS 3 12.950 -13.041 -9.867 22 HA LYS 3 HA LYS 3 12.747 -13.737 -7.028 23 1HB LYS 3 2HB LYS 3 15.216 -13.050 -7.839 24 2HB LYS 3 1HB LYS 3 14.559 -11.433 -7.582 25 1HG LYS 3 2HG LYS 3 15.385 -11.931 -5.460 26 2HG LYS 3 1HG LYS 3 13.706 -12.454 -5.312 27 1HD LYS 3 2HD LYS 3 15.180 -14.196 -4.435 28 2HD LYS 3 1HD LYS 3 14.405 -14.768 -5.914 29 1HE LYS 3 2HE LYS 3 16.955 -15.168 -5.703 30 2HE LYS 3 1HE LYS 3 16.396 -14.408 -7.207 31 1HZ LYS 3 1HZ LYS 3 16.955 -12.288 -6.428 32 2HZ LYS 3 2HZ LYS 3 18.280 -13.252 -5.979 33 3HZ LYS 3 3HZ LYS 3 17.117 -12.811 -4.822 34 H LEU 4 H LEU 4 10.825 -12.760 -6.536 35 HA LEU 4 HA LEU 4 10.378 -9.966 -7.520 36 1HB LEU 4 2HB LEU 4 8.070 -10.631 -8.051 37 2HB LEU 4 1HB LEU 4 9.207 -11.680 -8.900 38 HG LEU 4 HG LEU 4 8.629 -12.729 -6.262 39 1HD1 LEU 4 1HD1 LEU 4 6.202 -13.346 -7.458 40 2HD1 LEU 4 2HD1 LEU 4 6.387 -11.623 -7.784 41 3HD1 LEU 4 3HD1 LEU 4 6.430 -12.217 -6.123 42 1HD2 LEU 4 1HD2 LEU 4 9.266 -14.460 -7.575 43 2HD2 LEU 4 2HD2 LEU 4 8.880 -13.578 -9.053 44 3HD2 LEU 4 3HD2 LEU 4 7.615 -14.455 -8.192 45 H PHE 5 H PHE 5 10.689 -11.930 -4.862 46 HA PHE 5 HA PHE 5 8.505 -11.100 -3.178 47 1HB PHE 5 2HB PHE 5 9.899 -13.047 -2.715 48 2HB PHE 5 1HB PHE 5 11.336 -12.031 -2.607 49 HD1 PHE 5 HD1 PHE 5 12.033 -11.318 -0.501 50 HD2 PHE 5 HD2 PHE 5 7.898 -12.300 -1.121 51 HE1 PHE 5 HE1 PHE 5 11.579 -10.926 1.905 52 HE2 PHE 5 HE2 PHE 5 7.444 -11.907 1.285 53 HZ PHE 5 HZ PHE 5 9.284 -11.221 2.798 54 H LYS 6 H LYS 6 8.560 -8.735 -3.853 55 HA LYS 6 HA LYS 6 10.436 -7.216 -2.074 56 1HB LYS 6 2HB LYS 6 9.868 -7.018 -5.010 57 2HB LYS 6 1HB LYS 6 10.243 -5.539 -4.129 58 1HG LYS 6 2HG LYS 6 12.065 -7.675 -3.392 59 2HG LYS 6 1HG LYS 6 12.089 -7.395 -5.133 60 1HD LYS 6 2HD LYS 6 12.006 -4.859 -3.788 61 2HD LYS 6 1HD LYS 6 13.317 -5.824 -3.109 62 1HE LYS 6 2HE LYS 6 14.177 -4.584 -5.033 63 2HE LYS 6 1HE LYS 6 14.085 -6.301 -5.475 64 1HZ LYS 6 1HZ LYS 6 11.662 -5.640 -6.127 65 2HZ LYS 6 2HZ LYS 6 12.943 -5.354 -7.206 66 3HZ LYS 6 3HZ LYS 6 12.323 -4.084 -6.263 67 H LYS 7 H LYS 7 7.264 -7.932 -2.756 68 HA LYS 7 HA LYS 7 6.234 -5.689 -1.214 69 1HB LYS 7 2HB LYS 7 6.795 -5.183 -3.870 70 2HB LYS 7 1HB LYS 7 5.081 -5.592 -3.916 71 1HG LYS 7 2HG LYS 7 4.466 -3.749 -2.700 72 2HG LYS 7 1HG LYS 7 5.942 -3.767 -1.734 73 1HD LYS 7 2HD LYS 7 6.784 -2.143 -3.041 74 2HD LYS 7 1HD LYS 7 6.732 -3.254 -4.408 75 1HE LYS 7 2HE LYS 7 4.308 -2.606 -4.743 76 2HE LYS 7 1HE LYS 7 4.549 -1.340 -3.524 77 1HZ LYS 7 1HZ LYS 7 6.714 -0.996 -5.027 78 2HZ LYS 7 2HZ LYS 7 5.259 -0.165 -5.301 79 3HZ LYS 7 3HZ LYS 7 5.636 -1.546 -6.216 80 H ILE 8 H ILE 8 3.638 -5.642 -2.151 81 HA ILE 8 HA ILE 8 2.730 -8.494 -1.934 82 HB ILE 8 HB ILE 8 1.358 -6.061 -0.767 83 1HG1 ILE 8 2HG1 ILE 8 3.546 -7.801 0.386 84 2HG1 ILE 8 1HG1 ILE 8 3.488 -6.042 0.301 85 1HG2 ILE 8 1HG2 ILE 8 0.235 -7.710 0.627 86 2HG2 ILE 8 2HG2 ILE 8 1.251 -9.000 -0.019 87 3HG2 ILE 8 3HG2 ILE 8 0.076 -8.197 -1.060 88 1HD1 ILE 8 1HD1 ILE 8 2.889 -6.377 2.521 89 2HD1 ILE 8 2HD1 ILE 8 2.058 -7.894 2.175 90 3HD1 ILE 8 3HD1 ILE 8 1.300 -6.358 1.755 91 H GLY 9 H GLY 9 1.910 -5.194 -3.009 92 1HA GLY 9 2HA GLY 9 0.920 -4.632 -5.101 93 2HA GLY 9 1HA GLY 9 0.546 -6.330 -5.366 94 H ILE 10 H ILE 10 -0.662 -6.622 -2.721 95 HA ILE 10 HA ILE 10 -3.321 -5.514 -3.381 96 HB ILE 10 HB ILE 10 -2.656 -7.307 -1.058 97 1HG1 ILE 10 2HG1 ILE 10 -1.387 -8.306 -2.863 98 2HG1 ILE 10 1HG1 ILE 10 -2.862 -9.241 -2.669 99 1HG2 ILE 10 1HG2 ILE 10 -4.955 -6.774 -1.182 100 2HG2 ILE 10 2HG2 ILE 10 -4.841 -8.356 -1.953 101 3HG2 ILE 10 3HG2 ILE 10 -4.978 -6.901 -2.940 102 1HD1 ILE 10 1HD1 ILE 10 -2.654 -8.891 -5.015 103 2HD1 ILE 10 2HD1 ILE 10 -2.232 -7.192 -4.795 104 3HD1 ILE 10 3HD1 ILE 10 -3.879 -7.740 -4.481 105 H GLY 11 H GLY 11 -0.677 -4.823 -1.352 106 1HA GLY 11 2HA GLY 11 -2.101 -3.704 0.896 107 2HA GLY 11 1HA GLY 11 -0.414 -3.383 0.498 108 H LYS 12 H LYS 12 -1.805 -2.685 -2.296 109 HA LYS 12 HA LYS 12 -1.844 0.204 -1.770 110 1HB LYS 12 2HB LYS 12 -0.992 -1.375 -3.794 111 2HB LYS 12 1HB LYS 12 -2.598 -0.967 -4.397 112 1HG LYS 12 2HG LYS 12 -1.580 0.908 -5.176 113 2HG LYS 12 1HG LYS 12 -1.740 1.467 -3.511 114 1HD LYS 12 2HD LYS 12 0.515 0.431 -3.036 115 2HD LYS 12 1HD LYS 12 0.676 0.139 -4.769 116 1HE LYS 12 2HE LYS 12 0.081 2.897 -3.658 117 2HE LYS 12 1HE LYS 12 1.737 2.312 -3.924 118 1HZ LYS 12 1HZ LYS 12 1.492 2.355 -6.144 119 2HZ LYS 12 2HZ LYS 12 0.223 3.440 -5.834 120 3HZ LYS 12 3HZ LYS 12 -0.108 1.793 -6.093 121 H PHE 13 H PHE 13 -4.142 -2.200 -3.128 122 HA PHE 13 HA PHE 13 -6.363 -0.461 -3.416 123 1HB PHE 13 2HB PHE 13 -5.868 -2.908 -4.171 124 2HB PHE 13 1HB PHE 13 -6.579 -3.346 -2.622 125 HD1 PHE 13 HD1 PHE 13 -7.340 -0.796 -5.276 126 HD2 PHE 13 HD2 PHE 13 -8.812 -3.976 -2.790 127 HE1 PHE 13 HE1 PHE 13 -9.610 -0.487 -6.223 128 HE2 PHE 13 HE2 PHE 13 -11.082 -3.668 -3.740 129 HZ PHE 13 HZ PHE 13 -11.481 -1.922 -5.457 130 H LEU 14 H LEU 14 -5.672 -2.729 -0.811 131 HA LEU 14 HA LEU 14 -7.775 -2.207 0.934 132 1HB LEU 14 2HB LEU 14 -5.071 -3.268 1.026 133 2HB LEU 14 1HB LEU 14 -5.474 -2.446 2.535 134 HG LEU 14 HG LEU 14 -6.980 -4.717 1.214 135 1HD1 LEU 14 1HD1 LEU 14 -6.634 -5.552 3.685 136 2HD1 LEU 14 2HD1 LEU 14 -5.348 -4.345 3.708 137 3HD1 LEU 14 3HD1 LEU 14 -5.301 -5.660 2.534 138 1HD2 LEU 14 1HD2 LEU 14 -7.944 -2.568 2.931 139 2HD2 LEU 14 2HD2 LEU 14 -8.157 -4.146 3.690 140 3HD2 LEU 14 3HD2 LEU 14 -8.859 -3.829 2.104 141 H HIS 15 H HIS 15 -5.113 -0.174 0.106 142 HA HIS 15 HA HIS 15 -5.422 1.663 2.367 143 1HB HIS 15 2HB HIS 15 -3.435 0.971 0.648 144 2HB HIS 15 1HB HIS 15 -4.028 2.428 -0.139 145 HD1 HIS 15 HD1 HIS 15 -2.729 4.418 0.632 146 HD2 HIS 15 HD2 HIS 15 -3.244 1.641 3.700 147 HE1 HIS 15 HE1 HIS 15 -1.604 5.394 2.681 148 H SER 16 H SER 16 -5.872 1.963 -1.182 149 HA SER 16 HA SER 16 -7.373 4.423 -0.986 150 1HB SER 16 2HB SER 16 -7.301 4.291 -3.294 151 2HB SER 16 1HB SER 16 -6.040 3.117 -2.927 152 HG SER 16 HG SER 16 -7.283 1.614 -3.693 153 H ALA 17 H ALA 17 -8.144 1.135 -0.493 154 HA ALA 17 HA ALA 17 -10.968 1.240 -1.206 155 1HB ALA 17 1HB ALA 17 -10.984 -0.968 -0.220 156 2HB ALA 17 2HB ALA 17 -9.518 -0.625 0.698 157 3HB ALA 17 3HB ALA 17 -9.441 -0.793 -1.056 158 H LYS 18 H LYS 18 -9.106 1.432 1.835 159 HA LYS 18 HA LYS 18 -11.482 1.925 3.457 160 1HB LYS 18 2HB LYS 18 -8.494 2.164 3.948 161 2HB LYS 18 1HB LYS 18 -9.720 2.299 5.209 162 1HG LYS 18 2HG LYS 18 -10.299 0.046 5.081 163 2HG LYS 18 1HG LYS 18 -9.734 -0.109 3.417 164 1HD LYS 18 2HD LYS 18 -7.769 -0.892 4.180 165 2HD LYS 18 1HD LYS 18 -7.490 0.650 4.991 166 1HE LYS 18 2HE LYS 18 -8.166 -0.159 7.043 167 2HE LYS 18 1HE LYS 18 -9.352 -1.267 6.328 168 1HZ LYS 18 1HZ LYS 18 -7.170 -2.282 5.292 169 2HZ LYS 18 2HZ LYS 18 -7.719 -2.755 6.829 170 3HZ LYS 18 3HZ LYS 18 -6.467 -1.616 6.685 171 H LYS 19 H LYS 19 -9.621 3.808 1.359 172 HA LYS 19 HA LYS 19 -9.759 6.339 2.821 173 1HB LYS 19 2HB LYS 19 -8.619 5.218 0.397 174 2HB LYS 19 1HB LYS 19 -9.360 6.786 0.072 175 1HG LYS 19 2HG LYS 19 -7.433 6.276 2.355 176 2HG LYS 19 1HG LYS 19 -6.948 6.927 0.789 177 1HD LYS 19 2HD LYS 19 -7.626 8.990 1.383 178 2HD LYS 19 1HD LYS 19 -9.233 8.383 1.785 179 1HE LYS 19 2HE LYS 19 -8.455 7.727 4.025 180 2HE LYS 19 1HE LYS 19 -6.815 8.275 3.628 181 1HZ LYS 19 1HZ LYS 19 -8.275 10.389 2.885 182 2HZ LYS 19 2HZ LYS 19 -7.556 10.236 4.417 183 3HZ LYS 19 3HZ LYS 19 -9.194 9.837 4.199 184 H PHE 20 H PHE 20 -11.228 5.352 -0.312 185 HA PHE 20 HA PHE 20 -13.360 7.366 0.082 186 1HB PHE 20 2HB PHE 20 -11.920 6.662 -2.049 187 2HB PHE 20 1HB PHE 20 -13.209 5.473 -2.230 188 HD1 PHE 20 HD1 PHE 20 -13.267 8.985 -0.935 189 HD2 PHE 20 HD2 PHE 20 -14.624 6.242 -3.951 190 HE1 PHE 20 HE1 PHE 20 -14.739 10.746 -1.871 191 HE2 PHE 20 HE2 PHE 20 -16.097 8.006 -4.889 192 HZ PHE 20 HZ PHE 20 -16.155 10.256 -3.848 193 1HN NH2 21 1HN NH2 21 -13.292 3.843 -0.762 194 2HN NH2 21 2HN NH2 21 -14.768 3.480 -0.008 Start of MODEL 9 1 1H LYS 1 1H LYS 1 16.914 3.293 -9.845 2 2H LYS 1 2H LYS 1 15.893 4.338 -10.711 3 3H LYS 1 3H LYS 1 16.187 2.767 -11.285 4 HA LYS 1 HA LYS 1 14.109 3.598 -9.623 5 1HB LYS 1 2HB LYS 1 14.599 1.729 -11.461 6 2HB LYS 1 1HB LYS 1 14.904 0.738 -10.034 7 1HG LYS 1 2HG LYS 1 12.702 0.558 -9.615 8 2HG LYS 1 1HG LYS 1 12.502 2.309 -9.667 9 1HD LYS 1 2HD LYS 1 11.631 2.236 -11.746 10 2HD LYS 1 1HD LYS 1 12.933 1.196 -12.325 11 1HE LYS 1 2HE LYS 1 11.160 -0.266 -10.536 12 2HE LYS 1 1HE LYS 1 10.272 0.417 -11.914 13 1HZ LYS 1 1HZ LYS 1 11.437 -1.797 -12.293 14 2HZ LYS 1 2HZ LYS 1 12.892 -0.920 -12.250 15 3HZ LYS 1 3HZ LYS 1 11.725 -0.577 -13.435 16 H ALA 2 H ALA 2 15.248 4.359 -7.622 17 HA ALA 2 HA ALA 2 16.040 2.066 -5.855 18 1HB ALA 2 1HB ALA 2 17.274 4.109 -4.697 19 2HB ALA 2 2HB ALA 2 17.091 4.842 -6.291 20 3HB ALA 2 3HB ALA 2 17.981 3.330 -6.112 21 H LYS 3 H LYS 3 13.369 2.544 -5.928 22 HA LYS 3 HA LYS 3 12.869 4.015 -3.366 23 1HB LYS 3 2HB LYS 3 11.325 4.108 -5.978 24 2HB LYS 3 1HB LYS 3 10.754 4.822 -4.468 25 1HG LYS 3 2HG LYS 3 13.515 5.548 -5.270 26 2HG LYS 3 1HG LYS 3 12.227 6.190 -6.290 27 1HD LYS 3 2HD LYS 3 11.969 6.386 -3.304 28 2HD LYS 3 1HD LYS 3 12.998 7.535 -4.159 29 1HE LYS 3 2HE LYS 3 10.856 7.710 -5.755 30 2HE LYS 3 1HE LYS 3 10.028 7.220 -4.263 31 1HZ LYS 3 1HZ LYS 3 12.009 9.427 -4.482 32 2HZ LYS 3 2HZ LYS 3 11.193 8.956 -3.067 33 3HZ LYS 3 3HZ LYS 3 10.330 9.634 -4.364 34 H LEU 4 H LEU 4 11.030 3.173 -2.168 35 HA LEU 4 HA LEU 4 10.057 0.492 -3.100 36 1HB LEU 4 2HB LEU 4 10.791 1.270 -0.264 37 2HB LEU 4 1HB LEU 4 10.460 -0.350 -0.876 38 HG LEU 4 HG LEU 4 12.745 1.380 -1.856 39 1HD1 LEU 4 1HD1 LEU 4 12.460 -0.174 0.575 40 2HD1 LEU 4 2HD1 LEU 4 13.810 0.836 0.054 41 3HD1 LEU 4 3HD1 LEU 4 13.726 -0.853 -0.450 42 1HD2 LEU 4 1HD2 LEU 4 11.823 -0.424 -3.367 43 2HD2 LEU 4 2HD2 LEU 4 12.253 -1.601 -2.126 44 3HD2 LEU 4 3HD2 LEU 4 13.512 -0.654 -2.918 45 H PHE 5 H PHE 5 9.085 3.527 -2.562 46 HA PHE 5 HA PHE 5 6.778 3.020 -0.797 47 1HB PHE 5 2HB PHE 5 8.258 5.260 -1.969 48 2HB PHE 5 1HB PHE 5 6.513 5.513 -2.003 49 HD1 PHE 5 HD1 PHE 5 5.191 5.463 0.098 50 HD2 PHE 5 HD2 PHE 5 9.478 5.189 0.111 51 HE1 PHE 5 HE1 PHE 5 5.217 5.994 2.521 52 HE2 PHE 5 HE2 PHE 5 9.504 5.720 2.534 53 HZ PHE 5 HZ PHE 5 7.374 6.122 3.738 54 H LYS 6 H LYS 6 7.103 1.680 -3.551 55 HA LYS 6 HA LYS 6 4.322 2.131 -4.424 56 1HB LYS 6 2HB LYS 6 6.532 3.535 -5.550 57 2HB LYS 6 1HB LYS 6 5.989 2.365 -6.752 58 1HG LYS 6 2HG LYS 6 3.601 3.346 -5.826 59 2HG LYS 6 1HG LYS 6 4.631 4.774 -5.729 60 1HD LYS 6 2HD LYS 6 4.649 3.063 -8.204 61 2HD LYS 6 1HD LYS 6 3.389 4.276 -7.972 62 1HE LYS 6 2HE LYS 6 4.906 5.703 -8.924 63 2HE LYS 6 1HE LYS 6 5.670 5.690 -7.323 64 1HZ LYS 6 1HZ LYS 6 6.798 3.579 -8.085 65 2HZ LYS 6 2HZ LYS 6 7.343 5.016 -8.810 66 3HZ LYS 6 3HZ LYS 6 6.298 3.976 -9.656 67 H LYS 7 H LYS 7 5.788 -0.173 -3.389 68 HA LYS 7 HA LYS 7 5.286 -2.040 -5.638 69 1HB LYS 7 2HB LYS 7 7.932 -1.518 -4.280 70 2HB LYS 7 1HB LYS 7 7.602 -3.058 -5.073 71 1HG LYS 7 2HG LYS 7 7.120 -1.890 -7.182 72 2HG LYS 7 1HG LYS 7 7.404 -0.336 -6.397 73 1HD LYS 7 2HD LYS 7 9.547 -2.417 -6.229 74 2HD LYS 7 1HD LYS 7 9.342 -1.552 -7.752 75 1HE LYS 7 2HE LYS 7 9.916 0.511 -6.816 76 2HE LYS 7 1HE LYS 7 9.447 0.009 -5.179 77 1HZ LYS 7 1HZ LYS 7 11.272 -1.568 -5.167 78 2HZ LYS 7 2HZ LYS 7 11.864 -0.001 -5.453 79 3HZ LYS 7 3HZ LYS 7 11.722 -1.106 -6.736 80 H ILE 8 H ILE 8 3.514 -2.417 -3.917 81 HA ILE 8 HA ILE 8 4.533 -4.329 -1.844 82 HB ILE 8 HB ILE 8 2.080 -2.572 -1.616 83 1HG1 ILE 8 2HG1 ILE 8 4.967 -1.958 -0.928 84 2HG1 ILE 8 1HG1 ILE 8 3.879 -1.017 -1.944 85 1HG2 ILE 8 1HG2 ILE 8 2.796 -2.917 0.878 86 2HG2 ILE 8 2HG2 ILE 8 3.760 -4.247 0.239 87 3HG2 ILE 8 3HG2 ILE 8 2.010 -4.245 0.028 88 1HD1 ILE 8 1HD1 ILE 8 2.612 -1.320 0.586 89 2HD1 ILE 8 2HD1 ILE 8 3.231 0.161 -0.145 90 3HD1 ILE 8 3HD1 ILE 8 4.275 -0.817 0.888 91 H GLY 9 H GLY 9 1.396 -3.361 -3.300 92 1HA GLY 9 2HA GLY 9 -0.019 -4.744 -4.644 93 2HA GLY 9 1HA GLY 9 1.006 -6.127 -4.273 94 H ILE 10 H ILE 10 0.799 -5.092 -1.353 95 HA ILE 10 HA ILE 10 -1.845 -6.383 -0.791 96 HB ILE 10 HB ILE 10 0.626 -6.256 0.954 97 1HG1 ILE 10 2HG1 ILE 10 -0.252 -8.266 -1.126 98 2HG1 ILE 10 1HG1 ILE 10 1.306 -7.454 -0.992 99 1HG2 ILE 10 1HG2 ILE 10 -1.649 -6.722 1.985 100 2HG2 ILE 10 2HG2 ILE 10 -0.451 -7.994 2.222 101 3HG2 ILE 10 3HG2 ILE 10 -1.711 -8.185 1.001 102 1HD1 ILE 10 1HD1 ILE 10 2.002 -9.311 0.098 103 2HD1 ILE 10 2HD1 ILE 10 0.352 -9.880 0.353 104 3HD1 ILE 10 3HD1 ILE 10 1.062 -8.706 1.462 105 H GLY 11 H GLY 11 -0.136 -3.490 -0.641 106 1HA GLY 11 2HA GLY 11 -1.634 -2.518 1.736 107 2HA GLY 11 1HA GLY 11 -0.251 -1.708 1.016 108 H LYS 12 H LYS 12 -0.563 -0.684 -1.035 109 HA LYS 12 HA LYS 12 -2.560 1.143 -1.336 110 1HB LYS 12 2HB LYS 12 -0.508 0.062 -2.891 111 2HB LYS 12 1HB LYS 12 -1.943 -0.091 -3.905 112 1HG LYS 12 2HG LYS 12 -2.229 2.439 -2.826 113 2HG LYS 12 1HG LYS 12 -0.489 2.322 -3.091 114 1HD LYS 12 2HD LYS 12 -0.874 1.657 -5.427 115 2HD LYS 12 1HD LYS 12 -2.617 1.736 -5.169 116 1HE LYS 12 2HE LYS 12 -2.303 3.869 -6.015 117 2HE LYS 12 1HE LYS 12 -1.935 4.216 -4.313 118 1HZ LYS 12 1HZ LYS 12 0.237 3.088 -5.876 119 2HZ LYS 12 2HZ LYS 12 0.266 4.321 -4.709 120 3HZ LYS 12 3HZ LYS 12 -0.213 4.667 -6.302 121 H PHE 13 H PHE 13 -2.856 -2.298 -2.148 122 HA PHE 13 HA PHE 13 -5.135 -2.405 -3.721 123 1HB PHE 13 2HB PHE 13 -3.892 -4.353 -2.929 124 2HB PHE 13 1HB PHE 13 -4.431 -4.058 -1.280 125 HD1 PHE 13 HD1 PHE 13 -5.503 -6.282 -1.131 126 HD2 PHE 13 HD2 PHE 13 -6.670 -3.423 -4.116 127 HE1 PHE 13 HE1 PHE 13 -7.561 -7.590 -1.579 128 HE2 PHE 13 HE2 PHE 13 -8.729 -4.730 -4.564 129 HZ PHE 13 HZ PHE 13 -9.174 -6.814 -3.295 130 H LEU 14 H LEU 14 -5.740 -3.179 -0.381 131 HA LEU 14 HA LEU 14 -8.352 -1.962 -0.417 132 1HB LEU 14 2HB LEU 14 -8.522 -2.899 1.757 133 2HB LEU 14 1HB LEU 14 -7.468 -3.992 0.874 134 HG LEU 14 HG LEU 14 -6.423 -3.691 2.966 135 1HD1 LEU 14 1HD1 LEU 14 -4.798 -3.504 1.201 136 2HD1 LEU 14 2HD1 LEU 14 -4.368 -2.369 2.479 137 3HD1 LEU 14 3HD1 LEU 14 -5.143 -1.790 1.010 138 1HD2 LEU 14 1HD2 LEU 14 -7.844 -1.344 3.109 139 2HD2 LEU 14 2HD2 LEU 14 -6.187 -0.761 2.951 140 3HD2 LEU 14 3HD2 LEU 14 -6.617 -1.847 4.272 141 H HIS 15 H HIS 15 -5.416 -0.448 -0.287 142 HA HIS 15 HA HIS 15 -5.663 1.423 1.863 143 1HB HIS 15 2HB HIS 15 -3.754 0.789 0.155 144 2HB HIS 15 1HB HIS 15 -4.466 2.072 -0.818 145 HD1 HIS 15 HD1 HIS 15 -5.283 3.908 1.638 146 HD2 HIS 15 HD2 HIS 15 -1.503 2.268 1.005 147 HE1 HIS 15 HE1 HIS 15 -3.647 5.367 2.908 148 H SER 16 H SER 16 -6.449 1.773 -1.609 149 HA SER 16 HA SER 16 -7.725 4.324 -1.391 150 1HB SER 16 2HB SER 16 -8.291 3.926 -3.651 151 2HB SER 16 1HB SER 16 -6.853 2.936 -3.418 152 HG SER 16 HG SER 16 -8.492 1.255 -2.794 153 H ALA 17 H ALA 17 -8.760 1.142 -0.608 154 HA ALA 17 HA ALA 17 -11.634 1.617 -0.742 155 1HB ALA 17 1HB ALA 17 -9.779 -0.517 -0.303 156 2HB ALA 17 2HB ALA 17 -11.516 -0.637 -0.577 157 3HB ALA 17 3HB ALA 17 -10.891 -0.484 1.064 158 H LYS 18 H LYS 18 -9.202 1.469 1.868 159 HA LYS 18 HA LYS 18 -11.080 2.213 3.953 160 1HB LYS 18 2HB LYS 18 -9.060 0.883 4.358 161 2HB LYS 18 1HB LYS 18 -8.052 2.205 3.764 162 1HG LYS 18 2HG LYS 18 -9.591 3.442 5.696 163 2HG LYS 18 1HG LYS 18 -9.302 1.848 6.393 164 1HD LYS 18 2HD LYS 18 -6.829 2.504 5.353 165 2HD LYS 18 1HD LYS 18 -7.420 4.055 5.951 166 1HE LYS 18 2HE LYS 18 -7.151 1.473 7.528 167 2HE LYS 18 1HE LYS 18 -6.289 3.001 7.805 168 1HZ LYS 18 1HZ LYS 18 -8.059 3.163 9.265 169 2HZ LYS 18 2HZ LYS 18 -9.144 2.383 8.216 170 3HZ LYS 18 3HZ LYS 18 -8.658 3.981 7.905 171 H LYS 19 H LYS 19 -9.352 3.907 1.547 172 HA LYS 19 HA LYS 19 -9.100 6.465 2.935 173 1HB LYS 19 2HB LYS 19 -7.847 5.412 0.861 174 2HB LYS 19 1HB LYS 19 -9.187 6.109 -0.049 175 1HG LYS 19 2HG LYS 19 -8.199 8.124 0.047 176 2HG LYS 19 1HG LYS 19 -8.303 8.080 1.807 177 1HD LYS 19 2HD LYS 19 -6.036 8.091 1.751 178 2HD LYS 19 1HD LYS 19 -6.188 6.388 1.316 179 1HE LYS 19 2HE LYS 19 -6.469 7.374 -1.138 180 2HE LYS 19 1HE LYS 19 -5.574 8.740 -0.439 181 1HZ LYS 19 1HZ LYS 19 -4.041 7.067 -1.264 182 2HZ LYS 19 2HZ LYS 19 -4.778 5.879 -0.299 183 3HZ LYS 19 3HZ LYS 19 -3.942 7.167 0.426 184 H PHE 20 H PHE 20 -11.443 4.902 0.810 185 HA PHE 20 HA PHE 20 -13.196 7.324 1.022 186 1HB PHE 20 2HB PHE 20 -12.302 6.544 -1.225 187 2HB PHE 20 1HB PHE 20 -13.259 5.078 -1.011 188 HD1 PHE 20 HD1 PHE 20 -14.080 8.595 -0.057 189 HD2 PHE 20 HD2 PHE 20 -14.983 5.252 -2.594 190 HE1 PHE 20 HE1 PHE 20 -16.091 9.780 -0.902 191 HE2 PHE 20 HE2 PHE 20 -16.994 6.434 -3.440 192 HZ PHE 20 HZ PHE 20 -17.548 8.698 -2.593 193 1HN NH2 21 1HN NH2 21 -13.065 5.195 3.103 194 2HN NH2 21 2HN NH2 21 -14.583 4.439 3.119 Start of MODEL 10 1 1H LYS 1 1H LYS 1 -2.515 -5.113 7.980 2 2H LYS 1 2H LYS 1 -2.461 -4.801 6.312 3 3H LYS 1 3H LYS 1 -3.001 -3.600 7.386 4 HA LYS 1 HA LYS 1 -0.928 -2.945 7.926 5 1HB LYS 1 2HB LYS 1 -0.691 -5.072 9.166 6 2HB LYS 1 1HB LYS 1 -0.210 -5.887 7.678 7 1HG LYS 1 2HG LYS 1 1.910 -5.131 7.851 8 2HG LYS 1 1HG LYS 1 1.359 -3.478 8.127 9 1HD LYS 1 2HD LYS 1 1.961 -3.683 10.283 10 2HD LYS 1 1HD LYS 1 0.723 -4.924 10.474 11 1HE LYS 1 2HE LYS 1 3.570 -5.428 9.529 12 2HE LYS 1 1HE LYS 1 2.934 -5.812 11.141 13 1HZ LYS 1 1HZ LYS 1 2.578 -7.771 9.990 14 2HZ LYS 1 2HZ LYS 1 2.198 -6.981 8.535 15 3HZ LYS 1 3HZ LYS 1 1.083 -6.991 9.817 16 H ALA 2 H ALA 2 0.644 -5.461 6.112 17 HA ALA 2 HA ALA 2 0.354 -4.448 3.458 18 1HB ALA 2 1HB ALA 2 2.974 -3.512 4.510 19 2HB ALA 2 2HB ALA 2 1.557 -2.615 5.058 20 3HB ALA 2 3HB ALA 2 1.900 -2.754 3.334 21 H LYS 3 H LYS 3 0.730 -6.467 2.598 22 HA LYS 3 HA LYS 3 3.405 -7.712 3.114 23 1HB LYS 3 2HB LYS 3 0.621 -8.857 3.293 24 2HB LYS 3 1HB LYS 3 2.001 -9.907 2.961 25 1HG LYS 3 2HG LYS 3 3.118 -8.953 5.008 26 2HG LYS 3 1HG LYS 3 1.610 -8.116 5.374 27 1HD LYS 3 2HD LYS 3 1.681 -10.218 6.610 28 2HD LYS 3 1HD LYS 3 0.433 -10.316 5.367 29 1HE LYS 3 2HE LYS 3 1.465 -12.112 4.458 30 2HE LYS 3 1HE LYS 3 2.949 -11.163 4.240 31 1HZ LYS 3 1HZ LYS 3 3.497 -12.871 5.754 32 2HZ LYS 3 2HZ LYS 3 2.075 -12.646 6.655 33 3HZ LYS 3 3HZ LYS 3 3.305 -11.475 6.698 34 H LEU 4 H LEU 4 3.686 -9.568 1.353 35 HA LEU 4 HA LEU 4 2.433 -8.714 -1.227 36 1HB LEU 4 2HB LEU 4 5.370 -9.359 -0.971 37 2HB LEU 4 1HB LEU 4 4.550 -8.464 -2.250 38 HG LEU 4 HG LEU 4 3.924 -6.877 -0.174 39 1HD1 LEU 4 1HD1 LEU 4 6.264 -6.768 1.069 40 2HD1 LEU 4 2HD1 LEU 4 6.329 -8.475 0.629 41 3HD1 LEU 4 3HD1 LEU 4 5.006 -7.871 1.625 42 1HD2 LEU 4 1HD2 LEU 4 5.895 -5.499 -0.823 43 2HD2 LEU 4 2HD2 LEU 4 5.054 -6.155 -2.227 44 3HD2 LEU 4 3HD2 LEU 4 6.560 -6.891 -1.679 45 H PHE 5 H PHE 5 1.739 -11.062 0.284 46 HA PHE 5 HA PHE 5 3.205 -13.381 -0.653 47 1HB PHE 5 2HB PHE 5 1.356 -12.867 1.272 48 2HB PHE 5 1HB PHE 5 0.316 -13.580 0.040 49 HD1 PHE 5 HD1 PHE 5 1.000 -14.822 2.768 50 HD2 PHE 5 HD2 PHE 5 2.760 -15.248 -1.128 51 HE1 PHE 5 HE1 PHE 5 1.823 -17.079 3.384 52 HE2 PHE 5 HE2 PHE 5 3.583 -17.505 -0.511 53 HZ PHE 5 HZ PHE 5 3.114 -18.419 1.746 54 H LYS 6 H LYS 6 0.092 -11.903 -1.625 55 HA LYS 6 HA LYS 6 0.469 -13.125 -4.336 56 1HB LYS 6 2HB LYS 6 -1.195 -14.314 -2.854 57 2HB LYS 6 1HB LYS 6 -2.138 -12.823 -2.807 58 1HG LYS 6 2HG LYS 6 -1.739 -13.098 -5.496 59 2HG LYS 6 1HG LYS 6 -1.829 -14.787 -4.994 60 1HD LYS 6 2HD LYS 6 -3.891 -13.598 -3.569 61 2HD LYS 6 1HD LYS 6 -3.950 -12.775 -5.129 62 1HE LYS 6 2HE LYS 6 -4.129 -14.881 -6.315 63 2HE LYS 6 1HE LYS 6 -3.854 -15.795 -4.820 64 1HZ LYS 6 1HZ LYS 6 -6.285 -15.125 -5.697 65 2HZ LYS 6 2HZ LYS 6 -5.949 -13.787 -4.707 66 3HZ LYS 6 3HZ LYS 6 -5.916 -15.356 -4.059 67 H LYS 7 H LYS 7 0.833 -10.352 -2.993 68 HA LYS 7 HA LYS 7 -0.717 -8.818 -5.049 69 1HB LYS 7 2HB LYS 7 -0.959 -8.827 -2.182 70 2HB LYS 7 1HB LYS 7 -0.358 -7.250 -2.695 71 1HG LYS 7 2HG LYS 7 -2.758 -7.127 -2.749 72 2HG LYS 7 1HG LYS 7 -2.217 -7.227 -4.425 73 1HD LYS 7 2HD LYS 7 -3.074 -9.329 -4.721 74 2HD LYS 7 1HD LYS 7 -2.731 -9.816 -3.060 75 1HE LYS 7 2HE LYS 7 -4.714 -8.876 -2.238 76 2HE LYS 7 1HE LYS 7 -4.859 -7.747 -3.600 77 1HZ LYS 7 1HZ LYS 7 -5.408 -10.638 -3.525 78 2HZ LYS 7 2HZ LYS 7 -4.927 -9.918 -4.986 79 3HZ LYS 7 3HZ LYS 7 -6.339 -9.392 -4.200 80 H ILE 8 H ILE 8 0.509 -7.171 -6.030 81 HA ILE 8 HA ILE 8 3.274 -6.723 -4.953 82 HB ILE 8 HB ILE 8 2.473 -6.814 -7.868 83 1HG1 ILE 8 2HG1 ILE 8 3.281 -9.043 -5.991 84 2HG1 ILE 8 1HG1 ILE 8 1.910 -8.992 -7.095 85 1HG2 ILE 8 1HG2 ILE 8 4.709 -6.599 -8.293 86 2HG2 ILE 8 2HG2 ILE 8 5.168 -7.590 -6.909 87 3HG2 ILE 8 3HG2 ILE 8 4.744 -5.894 -6.677 88 1HD1 ILE 8 1HD1 ILE 8 3.984 -8.635 -8.835 89 2HD1 ILE 8 2HD1 ILE 8 3.265 -10.203 -8.468 90 3HD1 ILE 8 3HD1 ILE 8 4.731 -9.687 -7.633 91 H GLY 9 H GLY 9 1.067 -5.371 -7.457 92 1HA GLY 9 2HA GLY 9 1.958 -2.658 -6.595 93 2HA GLY 9 1HA GLY 9 1.304 -3.036 -8.187 94 H ILE 10 H ILE 10 -0.666 -4.778 -6.427 95 HA ILE 10 HA ILE 10 -2.711 -2.639 -6.277 96 HB ILE 10 HB ILE 10 -2.844 -5.646 -5.910 97 1HG1 ILE 10 2HG1 ILE 10 -3.221 -3.856 -8.326 98 2HG1 ILE 10 1HG1 ILE 10 -2.043 -5.153 -8.131 99 1HG2 ILE 10 1HG2 ILE 10 -5.256 -4.500 -6.905 100 2HG2 ILE 10 2HG2 ILE 10 -4.764 -3.552 -5.503 101 3HG2 ILE 10 3HG2 ILE 10 -4.997 -5.293 -5.353 102 1HD1 ILE 10 1HD1 ILE 10 -3.882 -6.800 -7.994 103 2HD1 ILE 10 2HD1 ILE 10 -3.939 -5.904 -9.511 104 3HD1 ILE 10 3HD1 ILE 10 -5.057 -5.501 -8.207 105 H GLY 11 H GLY 11 -0.473 -4.033 -4.210 106 1HA GLY 11 2HA GLY 11 -1.788 -4.589 -1.822 107 2HA GLY 11 1HA GLY 11 -0.204 -3.825 -1.877 108 H LYS 12 H LYS 12 -1.482 -1.551 -3.423 109 HA LYS 12 HA LYS 12 -2.100 0.127 -1.120 110 1HB LYS 12 2HB LYS 12 -1.266 0.388 -3.813 111 2HB LYS 12 1HB LYS 12 -2.797 1.257 -3.691 112 1HG LYS 12 2HG LYS 12 -1.471 2.954 -2.927 113 2HG LYS 12 1HG LYS 12 -1.587 2.080 -1.399 114 1HD LYS 12 2HD LYS 12 0.625 1.673 -1.427 115 2HD LYS 12 1HD LYS 12 0.487 0.895 -3.003 116 1HE LYS 12 2HE LYS 12 2.004 2.748 -3.289 117 2HE LYS 12 1HE LYS 12 0.464 3.261 -4.005 118 1HZ LYS 12 1HZ LYS 12 0.055 3.910 -1.466 119 2HZ LYS 12 2HZ LYS 12 0.726 4.990 -2.593 120 3HZ LYS 12 3HZ LYS 12 1.737 4.127 -1.534 121 H PHE 13 H PHE 13 -3.927 -2.054 -2.922 122 HA PHE 13 HA PHE 13 -6.426 -0.849 -3.367 123 1HB PHE 13 2HB PHE 13 -5.850 -3.110 -4.045 124 2HB PHE 13 1HB PHE 13 -5.665 -3.601 -2.367 125 HD1 PHE 13 HD1 PHE 13 -8.123 -2.459 -4.911 126 HD2 PHE 13 HD2 PHE 13 -7.550 -4.169 -1.011 127 HE1 PHE 13 HE1 PHE 13 -10.544 -2.984 -4.784 128 HE2 PHE 13 HE2 PHE 13 -9.970 -4.693 -0.885 129 HZ PHE 13 HZ PHE 13 -11.467 -4.101 -2.772 130 H LEU 14 H LEU 14 -5.742 -2.898 -0.617 131 HA LEU 14 HA LEU 14 -7.877 -2.279 1.042 132 1HB LEU 14 2HB LEU 14 -5.082 -3.202 1.348 133 2HB LEU 14 1HB LEU 14 -5.826 -2.581 2.822 134 HG LEU 14 HG LEU 14 -7.545 -4.383 1.227 135 1HD1 LEU 14 1HD1 LEU 14 -4.898 -5.241 2.372 136 2HD1 LEU 14 2HD1 LEU 14 -5.665 -5.729 0.861 137 3HD1 LEU 14 3HD1 LEU 14 -6.266 -6.354 2.396 138 1HD2 LEU 14 1HD2 LEU 14 -8.321 -3.652 3.371 139 2HD2 LEU 14 2HD2 LEU 14 -6.778 -4.033 4.136 140 3HD2 LEU 14 3HD2 LEU 14 -7.834 -5.333 3.586 141 H HIS 15 H HIS 15 -5.150 -0.308 0.252 142 HA HIS 15 HA HIS 15 -5.521 1.602 2.444 143 1HB HIS 15 2HB HIS 15 -3.477 0.836 0.842 144 2HB HIS 15 1HB HIS 15 -4.022 2.263 -0.033 145 HD1 HIS 15 HD1 HIS 15 -3.084 4.429 0.807 146 HD2 HIS 15 HD2 HIS 15 -3.063 1.488 3.764 147 HE1 HIS 15 HE1 HIS 15 -1.958 5.455 2.831 148 H SER 16 H SER 16 -5.868 1.797 -1.133 149 HA SER 16 HA SER 16 -7.266 4.318 -1.079 150 1HB SER 16 2HB SER 16 -7.038 2.097 -3.128 151 2HB SER 16 1HB SER 16 -7.726 3.680 -3.471 152 HG SER 16 HG SER 16 -5.162 3.382 -2.320 153 H ALA 17 H ALA 17 -8.220 1.052 -0.613 154 HA ALA 17 HA ALA 17 -11.018 1.277 -1.315 155 1HB ALA 17 1HB ALA 17 -9.545 -0.801 -1.030 156 2HB ALA 17 2HB ALA 17 -11.142 -0.894 -0.287 157 3HB ALA 17 3HB ALA 17 -9.723 -0.570 0.709 158 H LYS 18 H LYS 18 -9.346 1.211 1.854 159 HA LYS 18 HA LYS 18 -11.709 2.060 3.320 160 1HB LYS 18 2HB LYS 18 -8.752 1.798 3.923 161 2HB LYS 18 1HB LYS 18 -9.929 2.279 5.144 162 1HG LYS 18 2HG LYS 18 -10.226 -0.244 3.503 163 2HG LYS 18 1HG LYS 18 -9.383 -0.213 5.052 164 1HD LYS 18 2HD LYS 18 -11.378 0.568 6.189 165 2HD LYS 18 1HD LYS 18 -12.231 0.744 4.655 166 1HE LYS 18 2HE LYS 18 -11.223 -1.868 5.844 167 2HE LYS 18 1HE LYS 18 -12.918 -1.363 5.699 168 1HZ LYS 18 1HZ LYS 18 -11.995 -0.947 3.211 169 2HZ LYS 18 2HZ LYS 18 -12.802 -2.358 3.703 170 3HZ LYS 18 3HZ LYS 18 -11.104 -2.319 3.656 171 H LYS 19 H LYS 19 -9.604 3.698 1.290 172 HA LYS 19 HA LYS 19 -9.304 6.195 2.755 173 1HB LYS 19 2HB LYS 19 -8.006 5.077 0.735 174 2HB LYS 19 1HB LYS 19 -9.200 5.942 -0.233 175 1HG LYS 19 2HG LYS 19 -8.448 8.035 0.458 176 2HG LYS 19 1HG LYS 19 -7.743 7.404 1.946 177 1HD LYS 19 2HD LYS 19 -6.155 6.087 0.346 178 2HD LYS 19 1HD LYS 19 -6.656 7.277 -0.856 179 1HE LYS 19 2HE LYS 19 -5.423 7.913 1.851 180 2HE LYS 19 1HE LYS 19 -4.619 8.066 0.275 181 1HZ LYS 19 1HZ LYS 19 -5.590 10.178 0.932 182 2HZ LYS 19 2HZ LYS 19 -7.118 9.453 1.099 183 3HZ LYS 19 3HZ LYS 19 -6.389 9.565 -0.433 184 H PHE 20 H PHE 20 -11.180 5.409 -0.208 185 HA PHE 20 HA PHE 20 -12.843 7.804 0.131 186 1HB PHE 20 2HB PHE 20 -11.921 6.511 -1.992 187 2HB PHE 20 1HB PHE 20 -13.396 5.566 -1.787 188 HD1 PHE 20 HD1 PHE 20 -12.273 9.153 -1.790 189 HD2 PHE 20 HD2 PHE 20 -15.337 6.325 -2.826 190 HE1 PHE 20 HE1 PHE 20 -13.584 10.966 -2.859 191 HE2 PHE 20 HE2 PHE 20 -16.648 8.138 -3.895 192 HZ PHE 20 HZ PHE 20 -15.772 10.458 -3.912 193 1HN NH2 21 1HN NH2 21 -13.043 4.439 1.076 194 2HN NH2 21 2HN NH2 21 -14.663 4.459 1.581 Start of MODEL 11 1 1H LYS 1 1H LYS 1 0.595 -24.891 -0.390 2 2H LYS 1 2H LYS 1 1.042 -23.293 -0.759 3 3H LYS 1 3H LYS 1 0.335 -23.656 0.743 4 HA LYS 1 HA LYS 1 2.389 -25.247 0.979 5 1HB LYS 1 2HB LYS 1 2.774 -24.332 -1.520 6 2HB LYS 1 1HB LYS 1 3.655 -23.083 -0.639 7 1HG LYS 1 2HG LYS 1 5.395 -24.495 -0.453 8 2HG LYS 1 1HG LYS 1 4.387 -25.557 0.531 9 1HD LYS 1 2HD LYS 1 4.211 -25.608 -2.479 10 2HD LYS 1 1HD LYS 1 5.437 -26.547 -1.624 11 1HE LYS 1 2HE LYS 1 3.476 -27.455 -0.193 12 2HE LYS 1 1HE LYS 1 2.430 -26.821 -1.480 13 1HZ LYS 1 1HZ LYS 1 3.015 -29.016 -2.111 14 2HZ LYS 1 2HZ LYS 1 4.656 -28.765 -1.749 15 3HZ LYS 1 3HZ LYS 1 3.948 -27.980 -3.078 16 H ALA 2 H ALA 2 1.438 -24.102 2.970 17 HA ALA 2 HA ALA 2 1.691 -22.573 4.760 18 1HB ALA 2 1HB ALA 2 4.009 -23.648 4.278 19 2HB ALA 2 2HB ALA 2 3.974 -22.188 5.267 20 3HB ALA 2 3HB ALA 2 4.421 -22.089 3.564 21 H LYS 3 H LYS 3 2.851 -20.157 5.061 22 HA LYS 3 HA LYS 3 2.663 -18.414 2.749 23 1HB LYS 3 2HB LYS 3 0.548 -17.287 3.546 24 2HB LYS 3 1HB LYS 3 0.302 -18.941 2.982 25 1HG LYS 3 2HG LYS 3 0.387 -19.752 5.309 26 2HG LYS 3 1HG LYS 3 0.636 -18.101 5.878 27 1HD LYS 3 2HD LYS 3 -1.767 -18.965 4.249 28 2HD LYS 3 1HD LYS 3 -1.759 -18.892 6.010 29 1HE LYS 3 2HE LYS 3 -0.761 -16.443 4.668 30 2HE LYS 3 1HE LYS 3 -2.485 -16.785 4.430 31 1HZ LYS 3 1HZ LYS 3 -2.072 -17.410 7.042 32 2HZ LYS 3 2HZ LYS 3 -2.747 -15.958 6.478 33 3HZ LYS 3 3HZ LYS 3 -1.089 -16.044 6.835 34 H LEU 4 H LEU 4 3.920 -16.664 3.260 35 HA LEU 4 HA LEU 4 3.810 -15.434 5.927 36 1HB LEU 4 2HB LEU 4 6.144 -15.948 6.462 37 2HB LEU 4 1HB LEU 4 5.273 -17.452 6.165 38 HG LEU 4 HG LEU 4 6.211 -16.612 3.645 39 1HD1 LEU 4 1HD1 LEU 4 8.059 -15.935 5.879 40 2HD1 LEU 4 2HD1 LEU 4 7.933 -15.226 4.269 41 3HD1 LEU 4 3HD1 LEU 4 8.768 -16.763 4.491 42 1HD2 LEU 4 1HD2 LEU 4 6.165 -18.906 3.994 43 2HD2 LEU 4 2HD2 LEU 4 6.821 -18.775 5.627 44 3HD2 LEU 4 3HD2 LEU 4 7.885 -18.600 4.232 45 H PHE 5 H PHE 5 3.235 -14.331 3.396 46 HA PHE 5 HA PHE 5 5.541 -12.958 2.278 47 1HB PHE 5 2HB PHE 5 2.537 -12.878 2.009 48 2HB PHE 5 1HB PHE 5 3.556 -11.738 1.143 49 HD1 PHE 5 HD1 PHE 5 5.745 -12.971 0.049 50 HD2 PHE 5 HD2 PHE 5 1.924 -14.775 0.821 51 HE1 PHE 5 HE1 PHE 5 6.214 -14.699 -1.665 52 HE2 PHE 5 HE2 PHE 5 2.393 -16.504 -0.894 53 HZ PHE 5 HZ PHE 5 4.538 -16.465 -2.138 54 H LYS 6 H LYS 6 6.034 -10.714 2.542 55 HA LYS 6 HA LYS 6 4.465 -9.162 4.535 56 1HB LYS 6 2HB LYS 6 7.149 -10.378 4.867 57 2HB LYS 6 1HB LYS 6 7.014 -8.701 5.396 58 1HG LYS 6 2HG LYS 6 5.710 -9.245 7.169 59 2HG LYS 6 1HG LYS 6 4.748 -10.381 6.225 60 1HD LYS 6 2HD LYS 6 6.356 -12.124 6.499 61 2HD LYS 6 1HD LYS 6 7.570 -11.003 7.116 62 1HE LYS 6 2HE LYS 6 5.464 -10.606 8.866 63 2HE LYS 6 1HE LYS 6 5.391 -12.353 8.554 64 1HZ LYS 6 1HZ LYS 6 7.504 -12.681 9.316 65 2HZ LYS 6 2HZ LYS 6 7.060 -11.376 10.310 66 3HZ LYS 6 3HZ LYS 6 8.019 -11.111 8.934 67 H LYS 7 H LYS 7 4.125 -8.153 2.252 68 HA LYS 7 HA LYS 7 6.265 -6.099 1.795 69 1HB LYS 7 2HB LYS 7 5.932 -6.399 -0.596 70 2HB LYS 7 1HB LYS 7 6.258 -7.975 0.125 71 1HG LYS 7 2HG LYS 7 3.439 -7.494 0.261 72 2HG LYS 7 1HG LYS 7 3.978 -7.177 -1.389 73 1HD LYS 7 2HD LYS 7 4.674 -9.355 -1.731 74 2HD LYS 7 1HD LYS 7 5.026 -9.619 -0.023 75 1HE LYS 7 2HE LYS 7 2.774 -10.041 0.511 76 2HE LYS 7 1HE LYS 7 2.181 -9.204 -0.940 77 1HZ LYS 7 1HZ LYS 7 3.989 -11.502 -1.241 78 2HZ LYS 7 2HZ LYS 7 2.801 -10.920 -2.308 79 3HZ LYS 7 3HZ LYS 7 2.349 -11.792 -0.922 80 H ILE 8 H ILE 8 4.918 -4.688 -0.188 81 HA ILE 8 HA ILE 8 2.410 -3.790 1.199 82 HB ILE 8 HB ILE 8 4.387 -2.039 -0.270 83 1HG1 ILE 8 2HG1 ILE 8 4.380 -2.939 2.623 84 2HG1 ILE 8 1HG1 ILE 8 5.690 -3.084 1.459 85 1HG2 ILE 8 1HG2 ILE 8 2.080 -1.195 0.212 86 2HG2 ILE 8 2HG2 ILE 8 3.334 -0.270 1.036 87 3HG2 ILE 8 3HG2 ILE 8 2.381 -1.454 1.931 88 1HD1 ILE 8 1HD1 ILE 8 5.459 -1.051 3.292 89 2HD1 ILE 8 2HD1 ILE 8 4.754 -0.317 1.854 90 3HD1 ILE 8 3HD1 ILE 8 6.395 -0.954 1.802 91 H GLY 9 H GLY 9 3.712 -5.028 -1.633 92 1HA GLY 9 2HA GLY 9 2.696 -3.697 -3.802 93 2HA GLY 9 1HA GLY 9 2.628 -5.447 -3.694 94 H ILE 10 H ILE 10 0.756 -6.301 -2.447 95 HA ILE 10 HA ILE 10 -1.722 -5.242 -3.483 96 HB ILE 10 HB ILE 10 -1.417 -7.200 -1.206 97 1HG1 ILE 10 2HG1 ILE 10 -1.395 -8.601 -3.667 98 2HG1 ILE 10 1HG1 ILE 10 -0.164 -7.352 -3.806 99 1HG2 ILE 10 1HG2 ILE 10 -3.369 -6.693 -3.436 100 2HG2 ILE 10 2HG2 ILE 10 -3.684 -6.922 -1.716 101 3HG2 ILE 10 3HG2 ILE 10 -3.249 -8.302 -2.725 102 1HD1 ILE 10 1HD1 ILE 10 0.869 -8.091 -1.717 103 2HD1 ILE 10 2HD1 ILE 10 0.734 -9.458 -2.823 104 3HD1 ILE 10 3HD1 ILE 10 -0.403 -9.290 -1.486 105 H GLY 11 H GLY 11 0.157 -4.275 -0.878 106 1HA GLY 11 2HA GLY 11 -1.923 -3.685 1.046 107 2HA GLY 11 1HA GLY 11 -0.286 -3.032 1.075 108 H LYS 12 H LYS 12 -1.201 -2.337 -1.936 109 HA LYS 12 HA LYS 12 -1.883 0.447 -1.252 110 1HB LYS 12 2HB LYS 12 -0.618 -1.010 -3.355 111 2HB LYS 12 1HB LYS 12 -1.983 -0.145 -4.059 112 1HG LYS 12 2HG LYS 12 0.120 1.121 -2.279 113 2HG LYS 12 1HG LYS 12 0.102 1.225 -4.040 114 1HD LYS 12 2HD LYS 12 -2.440 2.004 -3.487 115 2HD LYS 12 1HD LYS 12 -1.610 2.598 -2.049 116 1HE LYS 12 2HE LYS 12 0.127 3.595 -3.704 117 2HE LYS 12 1HE LYS 12 -1.125 3.345 -4.936 118 1HZ LYS 12 1HZ LYS 12 -1.008 5.336 -2.929 119 2HZ LYS 12 2HZ LYS 12 -2.395 4.384 -2.692 120 3HZ LYS 12 3HZ LYS 12 -2.138 5.159 -4.180 121 H PHE 13 H PHE 13 -3.405 -2.286 -2.977 122 HA PHE 13 HA PHE 13 -5.762 -1.089 -3.885 123 1HB PHE 13 2HB PHE 13 -4.786 -3.477 -4.084 124 2HB PHE 13 1HB PHE 13 -5.659 -3.799 -2.589 125 HD1 PHE 13 HD1 PHE 13 -7.807 -4.670 -2.800 126 HD2 PHE 13 HD2 PHE 13 -6.278 -2.112 -5.895 127 HE1 PHE 13 HE1 PHE 13 -9.900 -4.981 -4.092 128 HE2 PHE 13 HE2 PHE 13 -8.374 -2.424 -7.185 129 HZ PHE 13 HZ PHE 13 -10.184 -3.859 -6.284 130 H LEU 14 H LEU 14 -5.537 -2.933 -0.883 131 HA LEU 14 HA LEU 14 -8.006 -2.140 0.236 132 1HB LEU 14 2HB LEU 14 -5.398 -2.799 1.639 133 2HB LEU 14 1HB LEU 14 -7.011 -2.947 2.335 134 HG LEU 14 HG LEU 14 -5.853 -4.525 0.026 135 1HD1 LEU 14 1HD1 LEU 14 -7.225 -5.746 2.371 136 2HD1 LEU 14 2HD1 LEU 14 -5.638 -5.033 2.659 137 3HD1 LEU 14 3HD1 LEU 14 -5.825 -6.317 1.464 138 1HD2 LEU 14 1HD2 LEU 14 -7.971 -4.515 -0.795 139 2HD2 LEU 14 2HD2 LEU 14 -8.634 -3.836 0.692 140 3HD2 LEU 14 3HD2 LEU 14 -8.353 -5.571 0.565 141 H HIS 15 H HIS 15 -5.114 -0.352 -0.166 142 HA HIS 15 HA HIS 15 -5.287 1.518 1.993 143 1HB HIS 15 2HB HIS 15 -3.504 0.947 0.116 144 2HB HIS 15 1HB HIS 15 -4.326 2.236 -0.756 145 HD1 HIS 15 HD1 HIS 15 -3.713 4.596 -0.128 146 HD2 HIS 15 HD2 HIS 15 -2.484 1.842 2.752 147 HE1 HIS 15 HE1 HIS 15 -2.340 5.889 1.562 148 H SER 16 H SER 16 -6.267 1.946 -1.438 149 HA SER 16 HA SER 16 -7.761 4.361 -0.916 150 1HB SER 16 2HB SER 16 -7.624 4.379 -3.174 151 2HB SER 16 1HB SER 16 -6.865 2.792 -3.102 152 HG SER 16 HG SER 16 -8.623 2.092 -3.999 153 H ALA 17 H ALA 17 -8.408 1.118 -0.246 154 HA ALA 17 HA ALA 17 -11.245 0.979 -0.726 155 1HB ALA 17 1HB ALA 17 -10.953 -1.111 0.179 156 2HB ALA 17 2HB ALA 17 -10.049 -0.491 1.560 157 3HB ALA 17 3HB ALA 17 -9.242 -0.722 0.009 158 H LYS 18 H LYS 18 -9.411 1.520 2.325 159 HA LYS 18 HA LYS 18 -11.831 2.431 3.708 160 1HB LYS 18 2HB LYS 18 -9.618 1.202 4.531 161 2HB LYS 18 1HB LYS 18 -9.049 2.860 4.732 162 1HG LYS 18 2HG LYS 18 -11.604 2.943 5.804 163 2HG LYS 18 1HG LYS 18 -11.008 1.365 6.315 164 1HD LYS 18 2HD LYS 18 -10.325 2.893 8.016 165 2HD LYS 18 1HD LYS 18 -8.879 2.565 7.063 166 1HE LYS 18 2HE LYS 18 -8.690 4.821 6.840 167 2HE LYS 18 1HE LYS 18 -10.087 4.725 5.749 168 1HZ LYS 18 1HZ LYS 18 -11.548 5.253 7.408 169 2HZ LYS 18 2HZ LYS 18 -10.204 6.153 7.925 170 3HZ LYS 18 3HZ LYS 18 -10.554 4.654 8.643 171 H LYS 19 H LYS 19 -9.493 3.842 1.690 172 HA LYS 19 HA LYS 19 -9.610 6.541 2.847 173 1HB LYS 19 2HB LYS 19 -7.842 5.138 1.313 174 2HB LYS 19 1HB LYS 19 -8.667 6.085 0.075 175 1HG LYS 19 2HG LYS 19 -7.466 7.890 0.662 176 2HG LYS 19 1HG LYS 19 -8.161 7.816 2.283 177 1HD LYS 19 2HD LYS 19 -6.198 7.118 3.128 178 2HD LYS 19 1HD LYS 19 -6.170 5.756 2.007 179 1HE LYS 19 2HE LYS 19 -4.397 6.775 1.013 180 2HE LYS 19 1HE LYS 19 -5.547 7.992 0.421 181 1HZ LYS 19 1HZ LYS 19 -4.644 8.164 3.203 182 2HZ LYS 19 2HZ LYS 19 -5.093 9.405 2.133 183 3HZ LYS 19 3HZ LYS 19 -3.570 8.667 1.991 184 H PHE 20 H PHE 20 -10.568 5.152 -0.322 185 HA PHE 20 HA PHE 20 -12.326 7.432 -0.878 186 1HB PHE 20 2HB PHE 20 -10.902 6.074 -2.513 187 2HB PHE 20 1HB PHE 20 -12.099 4.787 -2.335 188 HD1 PHE 20 HD1 PHE 20 -13.681 4.720 -4.041 189 HD2 PHE 20 HD2 PHE 20 -12.175 8.524 -2.735 190 HE1 PHE 20 HE1 PHE 20 -15.155 5.864 -5.674 191 HE2 PHE 20 HE2 PHE 20 -13.649 9.668 -4.367 192 HZ PHE 20 HZ PHE 20 -15.139 8.340 -5.836 193 1HN NH2 21 1HN NH2 21 -14.676 6.623 -1.793 194 2HN NH2 21 2HN NH2 21 -15.539 5.646 -0.704 Start of MODEL 12 1 1H LYS 1 1H LYS 1 22.814 -1.479 -1.137 2 2H LYS 1 2H LYS 1 22.045 -1.935 0.307 3 3H LYS 1 3H LYS 1 21.133 -1.322 -0.989 4 HA LYS 1 HA LYS 1 21.541 -3.259 -2.310 5 1HB LYS 1 2HB LYS 1 23.925 -3.235 -1.166 6 2HB LYS 1 1HB LYS 1 23.177 -4.381 -0.052 7 1HG LYS 1 2HG LYS 1 23.093 -6.033 -1.611 8 2HG LYS 1 1HG LYS 1 22.636 -4.921 -2.902 9 1HD LYS 1 2HD LYS 1 25.054 -4.068 -2.813 10 2HD LYS 1 1HD LYS 1 25.404 -5.495 -1.836 11 1HE LYS 1 2HE LYS 1 25.658 -6.634 -3.783 12 2HE LYS 1 1HE LYS 1 23.909 -6.453 -4.027 13 1HZ LYS 1 1HZ LYS 1 24.204 -4.448 -5.171 14 2HZ LYS 1 2HZ LYS 1 25.408 -5.466 -5.804 15 3HZ LYS 1 3HZ LYS 1 25.812 -4.278 -4.660 16 H ALA 2 H ALA 2 20.106 -5.027 -2.086 17 HA ALA 2 HA ALA 2 18.408 -6.335 -1.086 18 1HB ALA 2 1HB ALA 2 19.166 -7.346 0.824 19 2HB ALA 2 2HB ALA 2 19.458 -5.805 1.632 20 3HB ALA 2 3HB ALA 2 20.638 -6.436 0.483 21 H LYS 3 H LYS 3 16.371 -5.483 -0.921 22 HA LYS 3 HA LYS 3 15.905 -3.308 1.088 23 1HB LYS 3 2HB LYS 3 15.275 -3.477 -1.845 24 2HB LYS 3 1HB LYS 3 14.216 -2.540 -0.790 25 1HG LYS 3 2HG LYS 3 15.859 -0.984 -0.286 26 2HG LYS 3 1HG LYS 3 17.173 -2.129 -0.570 27 1HD LYS 3 2HD LYS 3 15.390 -1.083 -2.782 28 2HD LYS 3 1HD LYS 3 16.921 -0.324 -2.341 29 1HE LYS 3 2HE LYS 3 16.955 -3.276 -2.818 30 2HE LYS 3 1HE LYS 3 16.822 -2.214 -4.234 31 1HZ LYS 3 1HZ LYS 3 18.682 -0.897 -3.278 32 2HZ LYS 3 2HZ LYS 3 19.130 -2.471 -3.734 33 3HZ LYS 3 3HZ LYS 3 18.882 -2.097 -2.096 34 H LEU 4 H LEU 4 13.472 -3.112 1.542 35 HA LEU 4 HA LEU 4 12.106 -5.767 1.274 36 1HB LEU 4 2HB LEU 4 12.303 -3.969 3.714 37 2HB LEU 4 1HB LEU 4 11.433 -5.503 3.639 38 HG LEU 4 HG LEU 4 13.942 -6.171 2.676 39 1HD1 LEU 4 1HD1 LEU 4 15.229 -5.213 4.844 40 2HD1 LEU 4 2HD1 LEU 4 14.114 -3.875 4.563 41 3HD1 LEU 4 3HD1 LEU 4 15.232 -4.372 3.292 42 1HD2 LEU 4 1HD2 LEU 4 12.993 -7.687 4.150 43 2HD2 LEU 4 2HD2 LEU 4 12.494 -6.433 5.284 44 3HD2 LEU 4 3HD2 LEU 4 14.182 -6.939 5.217 45 H PHE 5 H PHE 5 11.889 -2.825 0.126 46 HA PHE 5 HA PHE 5 9.081 -2.222 0.908 47 1HB PHE 5 2HB PHE 5 11.434 -0.784 0.047 48 2HB PHE 5 1HB PHE 5 10.092 -0.421 -1.040 49 HD1 PHE 5 HD1 PHE 5 7.742 -0.574 0.654 50 HD2 PHE 5 HD2 PHE 5 11.635 1.006 1.549 51 HE1 PHE 5 HE1 PHE 5 6.744 0.906 2.378 52 HE2 PHE 5 HE2 PHE 5 10.637 2.486 3.273 53 HZ PHE 5 HZ PHE 5 8.193 2.435 3.687 54 H LYS 6 H LYS 6 8.360 -4.264 -0.271 55 HA LYS 6 HA LYS 6 7.748 -3.593 -3.098 56 1HB LYS 6 2HB LYS 6 9.887 -5.225 -2.356 57 2HB LYS 6 1HB LYS 6 8.614 -6.363 -2.799 58 1HG LYS 6 2HG LYS 6 9.259 -3.994 -4.549 59 2HG LYS 6 1HG LYS 6 10.168 -5.500 -4.687 60 1HD LYS 6 2HD LYS 6 8.516 -6.385 -5.927 61 2HD LYS 6 1HD LYS 6 7.395 -6.168 -4.583 62 1HE LYS 6 2HE LYS 6 6.369 -4.858 -6.230 63 2HE LYS 6 1HE LYS 6 7.392 -3.642 -5.438 64 1HZ LYS 6 1HZ LYS 6 7.636 -3.812 -7.929 65 2HZ LYS 6 2HZ LYS 6 8.354 -5.331 -7.676 66 3HZ LYS 6 3HZ LYS 6 9.074 -3.931 -7.040 67 H LYS 7 H LYS 7 5.811 -3.495 -1.245 68 HA LYS 7 HA LYS 7 4.225 -5.976 -1.748 69 1HB LYS 7 2HB LYS 7 3.525 -5.920 0.637 70 2HB LYS 7 1HB LYS 7 5.271 -6.125 0.485 71 1HG LYS 7 2HG LYS 7 5.340 -3.517 0.618 72 2HG LYS 7 1HG LYS 7 3.725 -3.680 1.311 73 1HD LYS 7 2HD LYS 7 5.022 -5.562 2.753 74 2HD LYS 7 1HD LYS 7 6.359 -4.452 2.447 75 1HE LYS 7 2HE LYS 7 4.021 -2.921 3.155 76 2HE LYS 7 1HE LYS 7 4.315 -4.161 4.391 77 1HZ LYS 7 1HZ LYS 7 6.270 -2.204 3.314 78 2HZ LYS 7 2HZ LYS 7 6.702 -3.522 4.294 79 3HZ LYS 7 3HZ LYS 7 5.691 -2.300 4.905 80 H ILE 8 H ILE 8 2.631 -5.060 -3.036 81 HA ILE 8 HA ILE 8 1.257 -2.607 -1.986 82 HB ILE 8 HB ILE 8 1.540 -3.387 -4.893 83 1HG1 ILE 8 2HG1 ILE 8 3.464 -1.816 -3.161 84 2HG1 ILE 8 1HG1 ILE 8 3.811 -3.279 -4.079 85 1HG2 ILE 8 1HG2 ILE 8 1.612 -0.593 -4.461 86 2HG2 ILE 8 2HG2 ILE 8 0.352 -1.219 -3.398 87 3HG2 ILE 8 3HG2 ILE 8 0.279 -1.534 -5.132 88 1HD1 ILE 8 1HD1 ILE 8 2.717 -1.422 -5.918 89 2HD1 ILE 8 2HD1 ILE 8 4.381 -1.999 -5.839 90 3HD1 ILE 8 3HD1 ILE 8 3.912 -0.541 -4.967 91 H GLY 9 H GLY 9 0.956 -5.714 -3.653 92 1HA GLY 9 2HA GLY 9 -1.772 -5.642 -4.340 93 2HA GLY 9 1HA GLY 9 -0.905 -7.118 -3.928 94 H ILE 10 H ILE 10 -0.328 -5.703 -1.243 95 HA ILE 10 HA ILE 10 -2.940 -6.446 0.026 96 HB ILE 10 HB ILE 10 -0.169 -6.351 1.244 97 1HG1 ILE 10 2HG1 ILE 10 -1.611 -8.583 -0.209 98 2HG1 ILE 10 1HG1 ILE 10 -0.001 -7.943 -0.531 99 1HG2 ILE 10 1HG2 ILE 10 -1.143 -7.754 2.967 100 2HG2 ILE 10 2HG2 ILE 10 -2.650 -7.891 2.061 101 3HG2 ILE 10 3HG2 ILE 10 -2.179 -6.342 2.759 102 1HD1 ILE 10 1HD1 ILE 10 -0.906 -9.785 1.644 103 2HD1 ILE 10 2HD1 ILE 10 0.414 -8.668 1.994 104 3HD1 ILE 10 3HD1 ILE 10 0.569 -9.832 0.679 105 H GLY 11 H GLY 11 -1.013 -3.817 -0.745 106 1HA GLY 11 2HA GLY 11 -1.919 -2.262 1.631 107 2HA GLY 11 1HA GLY 11 -0.545 -1.826 0.628 108 H LYS 12 H LYS 12 -0.929 -0.880 -1.392 109 HA LYS 12 HA LYS 12 -2.692 1.138 -1.751 110 1HB LYS 12 2HB LYS 12 -1.462 -0.852 -3.611 111 2HB LYS 12 1HB LYS 12 -2.636 0.281 -4.283 112 1HG LYS 12 2HG LYS 12 -0.691 1.546 -2.481 113 2HG LYS 12 1HG LYS 12 0.044 0.822 -3.910 114 1HD LYS 12 2HD LYS 12 -0.858 2.374 -5.296 115 2HD LYS 12 1HD LYS 12 -2.427 2.301 -4.493 116 1HE LYS 12 2HE LYS 12 -1.916 4.355 -3.651 117 2HE LYS 12 1HE LYS 12 -0.764 3.510 -2.596 118 1HZ LYS 12 1HZ LYS 12 0.703 3.537 -4.719 119 2HZ LYS 12 2HZ LYS 12 0.623 4.925 -3.743 120 3HZ LYS 12 3HZ LYS 12 -0.281 4.839 -5.179 121 H PHE 13 H PHE 13 -3.528 -2.280 -2.458 122 HA PHE 13 HA PHE 13 -6.087 -1.861 -3.571 123 1HB PHE 13 2HB PHE 13 -4.836 -4.014 -3.390 124 2HB PHE 13 1HB PHE 13 -5.215 -4.055 -1.674 125 HD1 PHE 13 HD1 PHE 13 -6.701 -4.067 -5.081 126 HD2 PHE 13 HD2 PHE 13 -7.374 -4.713 -0.888 127 HE1 PHE 13 HE1 PHE 13 -8.916 -5.061 -5.590 128 HE2 PHE 13 HE2 PHE 13 -9.588 -5.707 -1.396 129 HZ PHE 13 HZ PHE 13 -10.360 -5.880 -3.748 130 H LEU 14 H LEU 14 -5.735 -3.041 -0.282 131 HA LEU 14 HA LEU 14 -8.264 -2.027 0.606 132 1HB LEU 14 2HB LEU 14 -5.831 -3.300 1.746 133 2HB LEU 14 1HB LEU 14 -6.866 -2.441 2.888 134 HG LEU 14 HG LEU 14 -8.299 -4.167 0.959 135 1HD1 LEU 14 1HD1 LEU 14 -6.169 -5.190 2.773 136 2HD1 LEU 14 2HD1 LEU 14 -6.766 -5.856 1.254 137 3HD1 LEU 14 3HD1 LEU 14 -7.687 -6.087 2.741 138 1HD2 LEU 14 1HD2 LEU 14 -9.775 -4.413 2.739 139 2HD2 LEU 14 2HD2 LEU 14 -9.067 -2.845 3.126 140 3HD2 LEU 14 3HD2 LEU 14 -8.497 -4.297 3.949 141 H HIS 15 H HIS 15 -5.341 -0.432 0.015 142 HA HIS 15 HA HIS 15 -5.504 1.590 2.115 143 1HB HIS 15 2HB HIS 15 -3.512 0.716 0.643 144 2HB HIS 15 1HB HIS 15 -4.095 1.893 -0.530 145 HD1 HIS 15 HD1 HIS 15 -2.643 3.912 -0.326 146 HD2 HIS 15 HD2 HIS 15 -3.606 2.332 3.411 147 HE1 HIS 15 HE1 HIS 15 -1.646 5.482 1.396 148 H SER 16 H SER 16 -5.875 1.816 -1.445 149 HA SER 16 HA SER 16 -7.143 4.375 -1.419 150 1HB SER 16 2HB SER 16 -6.271 3.745 -3.479 151 2HB SER 16 1HB SER 16 -6.808 2.076 -3.305 152 HG SER 16 HG SER 16 -8.903 2.748 -3.736 153 H ALA 17 H ALA 17 -8.326 1.228 -0.719 154 HA ALA 17 HA ALA 17 -11.163 1.877 -1.195 155 1HB ALA 17 1HB ALA 17 -9.576 -0.454 -0.111 156 2HB ALA 17 2HB ALA 17 -10.523 -0.375 -1.596 157 3HB ALA 17 3HB ALA 17 -11.338 -0.437 -0.033 158 H LYS 18 H LYS 18 -9.008 1.313 1.588 159 HA LYS 18 HA LYS 18 -10.946 1.703 3.642 160 1HB LYS 18 2HB LYS 18 -8.945 0.718 4.320 161 2HB LYS 18 1HB LYS 18 -7.968 1.797 3.327 162 1HG LYS 18 2HG LYS 18 -7.629 2.379 5.659 163 2HG LYS 18 1HG LYS 18 -8.553 3.670 4.892 164 1HD LYS 18 2HD LYS 18 -10.352 3.304 6.205 165 2HD LYS 18 1HD LYS 18 -10.267 1.558 5.965 166 1HE LYS 18 2HE LYS 18 -9.869 1.977 8.323 167 2HE LYS 18 1HE LYS 18 -8.306 1.546 7.603 168 1HZ LYS 18 1HZ LYS 18 -8.713 4.283 7.197 169 2HZ LYS 18 2HZ LYS 18 -7.537 3.536 8.168 170 3HZ LYS 18 3HZ LYS 18 -9.039 3.968 8.831 171 H LYS 19 H LYS 19 -9.416 3.907 1.502 172 HA LYS 19 HA LYS 19 -9.811 6.275 3.211 173 1HB LYS 19 2HB LYS 19 -8.876 5.779 0.374 174 2HB LYS 19 1HB LYS 19 -9.003 7.397 1.066 175 1HG LYS 19 2HG LYS 19 -7.503 6.666 2.931 176 2HG LYS 19 1HG LYS 19 -7.295 5.120 2.105 177 1HD LYS 19 2HD LYS 19 -5.496 6.202 1.184 178 2HD LYS 19 1HD LYS 19 -6.724 6.784 0.062 179 1HE LYS 19 2HE LYS 19 -7.052 8.717 1.800 180 2HE LYS 19 1HE LYS 19 -5.442 8.238 2.368 181 1HZ LYS 19 1HZ LYS 19 -6.035 8.627 -0.504 182 2HZ LYS 19 2HZ LYS 19 -4.517 8.561 0.258 183 3HZ LYS 19 3HZ LYS 19 -5.524 9.912 0.477 184 H PHE 20 H PHE 20 -10.930 5.504 -0.112 185 HA PHE 20 HA PHE 20 -13.327 7.189 0.347 186 1HB PHE 20 2HB PHE 20 -11.485 6.902 -1.662 187 2HB PHE 20 1HB PHE 20 -12.799 5.891 -2.247 188 HD1 PHE 20 HD1 PHE 20 -11.532 9.158 -2.181 189 HD2 PHE 20 HD2 PHE 20 -15.239 7.001 -1.920 190 HE1 PHE 20 HE1 PHE 20 -12.766 11.201 -2.850 191 HE2 PHE 20 HE2 PHE 20 -16.473 9.046 -2.592 192 HZ PHE 20 HZ PHE 20 -15.236 11.146 -3.057 193 1HN NH2 21 1HN NH2 21 -13.537 4.752 1.789 194 2HN NH2 21 2HN NH2 21 -14.639 3.721 1.013 Start of MODEL 13 1 1H LYS 1 1H LYS 1 10.927 -3.183 17.154 2 2H LYS 1 2H LYS 1 10.634 -1.599 17.693 3 3H LYS 1 3H LYS 1 11.227 -2.772 18.770 4 HA LYS 1 HA LYS 1 12.895 -1.082 17.840 5 1HB LYS 1 2HB LYS 1 12.905 -3.798 18.651 6 2HB LYS 1 1HB LYS 1 14.042 -3.679 17.307 7 1HG LYS 1 2HG LYS 1 15.262 -1.907 18.406 8 2HG LYS 1 1HG LYS 1 14.045 -1.795 19.680 9 1HD LYS 1 2HD LYS 1 15.245 -3.300 20.852 10 2HD LYS 1 1HD LYS 1 14.813 -4.499 19.631 11 1HE LYS 1 2HE LYS 1 16.907 -4.488 18.737 12 2HE LYS 1 1HE LYS 1 17.009 -2.716 18.801 13 1HZ LYS 1 1HZ LYS 1 17.750 -2.734 20.943 14 2HZ LYS 1 2HZ LYS 1 18.421 -4.205 20.424 15 3HZ LYS 1 3HZ LYS 1 16.982 -4.196 21.329 16 H ALA 2 H ALA 2 12.874 -4.040 15.853 17 HA ALA 2 HA ALA 2 13.072 -2.306 13.410 18 1HB ALA 2 1HB ALA 2 14.459 -4.560 12.779 19 2HB ALA 2 2HB ALA 2 14.733 -4.501 14.520 20 3HB ALA 2 3HB ALA 2 15.207 -3.137 13.506 21 H LYS 3 H LYS 3 10.586 -2.853 13.624 22 HA LYS 3 HA LYS 3 10.087 -5.333 12.024 23 1HB LYS 3 2HB LYS 3 9.644 -5.345 14.625 24 2HB LYS 3 1HB LYS 3 8.203 -4.428 14.185 25 1HG LYS 3 2HG LYS 3 7.180 -6.246 13.301 26 2HG LYS 3 1HG LYS 3 8.646 -6.773 12.475 27 1HD LYS 3 2HD LYS 3 9.351 -8.066 14.251 28 2HD LYS 3 1HD LYS 3 8.579 -7.027 15.449 29 1HE LYS 3 2HE LYS 3 6.425 -8.009 13.986 30 2HE LYS 3 1HE LYS 3 7.514 -9.404 14.115 31 1HZ LYS 3 1HZ LYS 3 7.475 -9.357 16.384 32 2HZ LYS 3 2HZ LYS 3 5.906 -8.783 16.074 33 3HZ LYS 3 3HZ LYS 3 7.148 -7.694 16.466 34 H LEU 4 H LEU 4 8.614 -4.994 10.354 35 HA LEU 4 HA LEU 4 6.862 -2.596 10.440 36 1HB LEU 4 2HB LEU 4 7.784 -1.696 8.418 37 2HB LEU 4 1HB LEU 4 9.157 -2.077 9.453 38 HG LEU 4 HG LEU 4 8.159 -4.124 7.482 39 1HD1 LEU 4 1HD1 LEU 4 10.003 -3.148 5.963 40 2HD1 LEU 4 2HD1 LEU 4 9.847 -1.683 6.934 41 3HD1 LEU 4 3HD1 LEU 4 8.463 -2.288 6.021 42 1HD2 LEU 4 1HD2 LEU 4 9.803 -4.992 8.948 43 2HD2 LEU 4 2HD2 LEU 4 10.731 -3.494 8.935 44 3HD2 LEU 4 3HD2 LEU 4 10.722 -4.539 7.514 45 H PHE 5 H PHE 5 6.576 -5.627 10.383 46 HA PHE 5 HA PHE 5 5.555 -6.384 7.785 47 1HB PHE 5 2HB PHE 5 6.396 -7.838 9.716 48 2HB PHE 5 1HB PHE 5 4.844 -7.537 10.496 49 HD1 PHE 5 HD1 PHE 5 6.586 -9.327 7.834 50 HD2 PHE 5 HD2 PHE 5 2.727 -8.292 9.413 51 HE1 PHE 5 HE1 PHE 5 5.546 -11.116 6.465 52 HE2 PHE 5 HE2 PHE 5 1.688 -10.079 8.044 53 HZ PHE 5 HZ PHE 5 3.096 -11.491 6.570 54 H LYS 6 H LYS 6 3.592 -5.859 6.916 55 HA LYS 6 HA LYS 6 1.172 -5.577 8.511 56 1HB LYS 6 2HB LYS 6 2.085 -3.463 9.116 57 2HB LYS 6 1HB LYS 6 2.690 -3.173 7.486 58 1HG LYS 6 2HG LYS 6 0.662 -1.832 7.939 59 2HG LYS 6 1HG LYS 6 0.384 -2.999 6.645 60 1HD LYS 6 2HD LYS 6 -0.843 -4.451 8.076 61 2HD LYS 6 1HD LYS 6 -0.284 -3.618 9.528 62 1HE LYS 6 2HE LYS 6 -1.922 -2.041 9.374 63 2HE LYS 6 1HE LYS 6 -1.679 -1.847 7.627 64 1HZ LYS 6 1HZ LYS 6 -2.739 -4.065 7.354 65 2HZ LYS 6 2HZ LYS 6 -3.793 -2.870 7.945 66 3HZ LYS 6 3HZ LYS 6 -3.145 -4.034 9.000 67 H LYS 7 H LYS 7 2.260 -3.886 5.552 68 HA LYS 7 HA LYS 7 1.185 -5.734 3.667 69 1HB LYS 7 2HB LYS 7 -0.750 -4.412 5.219 70 2HB LYS 7 1HB LYS 7 -0.785 -3.599 3.652 71 1HG LYS 7 2HG LYS 7 -0.796 -5.960 2.624 72 2HG LYS 7 1HG LYS 7 -1.201 -6.529 4.244 73 1HD LYS 7 2HD LYS 7 -3.074 -4.738 4.177 74 2HD LYS 7 1HD LYS 7 -2.795 -4.724 2.436 75 1HE LYS 7 2HE LYS 7 -4.453 -6.375 2.628 76 2HE LYS 7 1HE LYS 7 -2.977 -7.357 2.698 77 1HZ LYS 7 1HZ LYS 7 -4.910 -7.166 4.656 78 2HZ LYS 7 2HZ LYS 7 -3.603 -6.257 5.249 79 3HZ LYS 7 3HZ LYS 7 -3.382 -7.883 4.810 80 H ILE 8 H ILE 8 2.402 -5.142 1.934 81 HA ILE 8 HA ILE 8 2.658 -2.223 1.300 82 HB ILE 8 HB ILE 8 4.722 -4.404 0.896 83 1HG1 ILE 8 2HG1 ILE 8 4.137 -2.586 3.225 84 2HG1 ILE 8 1HG1 ILE 8 4.534 -4.301 3.237 85 1HG2 ILE 8 1HG2 ILE 8 4.880 -1.372 0.870 86 2HG2 ILE 8 2HG2 ILE 8 4.972 -2.424 -0.542 87 3HG2 ILE 8 3HG2 ILE 8 6.250 -2.464 0.672 88 1HD1 ILE 8 1HD1 ILE 8 6.785 -3.240 2.084 89 2HD1 ILE 8 2HD1 ILE 8 6.621 -3.593 3.804 90 3HD1 ILE 8 3HD1 ILE 8 6.330 -1.959 3.209 91 H GLY 9 H GLY 9 3.502 -5.331 -0.290 92 1HA GLY 9 2HA GLY 9 3.153 -4.568 -2.932 93 2HA GLY 9 1HA GLY 9 2.783 -6.192 -2.367 94 H ILE 10 H ILE 10 0.634 -6.532 -1.492 95 HA ILE 10 HA ILE 10 -1.437 -5.315 -3.153 96 HB ILE 10 HB ILE 10 -1.579 -7.212 -0.793 97 1HG1 ILE 10 2HG1 ILE 10 -1.359 -7.792 -3.768 98 2HG1 ILE 10 1HG1 ILE 10 -0.070 -8.022 -2.586 99 1HG2 ILE 10 1HG2 ILE 10 -3.793 -6.675 -1.140 100 2HG2 ILE 10 2HG2 ILE 10 -3.627 -7.922 -2.375 101 3HG2 ILE 10 3HG2 ILE 10 -3.528 -6.218 -2.823 102 1HD1 ILE 10 1HD1 ILE 10 -2.769 -9.344 -2.283 103 2HD1 ILE 10 2HD1 ILE 10 -1.260 -9.750 -1.467 104 3HD1 ILE 10 3HD1 ILE 10 -1.454 -10.099 -3.185 105 H GLY 11 H GLY 11 0.057 -4.295 -0.359 106 1HA GLY 11 2HA GLY 11 -2.129 -3.446 1.270 107 2HA GLY 11 1HA GLY 11 -0.514 -2.744 1.310 108 H LYS 12 H LYS 12 -1.274 -2.409 -1.815 109 HA LYS 12 HA LYS 12 -1.973 0.415 -1.519 110 1HB LYS 12 2HB LYS 12 -0.543 -1.030 -3.293 111 2HB LYS 12 1HB LYS 12 -2.090 -0.996 -4.141 112 1HG LYS 12 2HG LYS 12 -1.264 1.597 -2.995 113 2HG LYS 12 1HG LYS 12 -0.220 0.997 -4.285 114 1HD LYS 12 2HD LYS 12 -2.515 0.498 -5.493 115 2HD LYS 12 1HD LYS 12 -3.125 1.733 -4.391 116 1HE LYS 12 2HE LYS 12 -1.085 3.149 -5.198 117 2HE LYS 12 1HE LYS 12 -1.051 2.014 -6.562 118 1HZ LYS 12 1HZ LYS 12 -3.554 3.306 -5.653 119 2HZ LYS 12 2HZ LYS 12 -3.256 2.510 -7.124 120 3HZ LYS 12 3HZ LYS 12 -2.550 4.025 -6.815 121 H PHE 13 H PHE 13 -3.600 -2.525 -2.697 122 HA PHE 13 HA PHE 13 -5.984 -1.351 -3.677 123 1HB PHE 13 2HB PHE 13 -5.005 -3.765 -3.731 124 2HB PHE 13 1HB PHE 13 -5.861 -3.968 -2.207 125 HD1 PHE 13 HD1 PHE 13 -6.165 -4.503 -5.609 126 HD2 PHE 13 HD2 PHE 13 -8.354 -2.818 -2.322 127 HE1 PHE 13 HE1 PHE 13 -8.289 -4.860 -6.842 128 HE2 PHE 13 HE2 PHE 13 -10.478 -3.175 -3.551 129 HZ PHE 13 HZ PHE 13 -10.446 -4.197 -5.811 130 H LEU 14 H LEU 14 -5.388 -2.799 -0.524 131 HA LEU 14 HA LEU 14 -7.882 -2.034 0.663 132 1HB LEU 14 2HB LEU 14 -5.165 -2.868 1.664 133 2HB LEU 14 1HB LEU 14 -6.473 -2.500 2.789 134 HG LEU 14 HG LEU 14 -7.769 -4.134 1.038 135 1HD1 LEU 14 1HD1 LEU 14 -6.083 -4.922 -0.329 136 2HD1 LEU 14 2HD1 LEU 14 -5.960 -6.099 0.980 137 3HD1 LEU 14 3HD1 LEU 14 -4.845 -4.735 0.914 138 1HD2 LEU 14 1HD2 LEU 14 -6.396 -5.764 2.993 139 2HD2 LEU 14 2HD2 LEU 14 -8.079 -5.234 2.982 140 3HD2 LEU 14 3HD2 LEU 14 -6.838 -4.212 3.708 141 H HIS 15 H HIS 15 -5.222 -0.132 -0.191 142 HA HIS 15 HA HIS 15 -5.346 1.777 2.017 143 1HB HIS 15 2HB HIS 15 -3.450 1.147 0.307 144 2HB HIS 15 1HB HIS 15 -4.240 2.341 -0.721 145 HD1 HIS 15 HD1 HIS 15 -5.058 4.454 1.310 146 HD2 HIS 15 HD2 HIS 15 -1.327 2.594 1.381 147 HE1 HIS 15 HE1 HIS 15 -3.511 5.998 2.589 148 H SER 16 H SER 16 -6.149 2.065 -1.463 149 HA SER 16 HA SER 16 -7.548 4.534 -1.244 150 1HB SER 16 2HB SER 16 -7.725 4.231 -3.498 151 2HB SER 16 1HB SER 16 -6.699 2.827 -3.217 152 HG SER 16 HG SER 16 -8.421 1.959 -4.182 153 H ALA 17 H ALA 17 -8.702 1.209 -1.137 154 HA ALA 17 HA ALA 17 -11.495 1.681 -1.083 155 1HB ALA 17 1HB ALA 17 -11.383 -0.571 -0.968 156 2HB ALA 17 2HB ALA 17 -10.754 -0.471 0.677 157 3HB ALA 17 3HB ALA 17 -9.646 -0.446 -0.694 158 H LYS 18 H LYS 18 -9.341 1.159 1.749 159 HA LYS 18 HA LYS 18 -11.288 1.844 3.711 160 1HB LYS 18 2HB LYS 18 -8.487 1.202 3.502 161 2HB LYS 18 1HB LYS 18 -8.696 2.542 4.630 162 1HG LYS 18 2HG LYS 18 -8.859 0.325 5.757 163 2HG LYS 18 1HG LYS 18 -10.348 1.262 5.899 164 1HD LYS 18 2HD LYS 18 -11.361 -0.617 5.124 165 2HD LYS 18 1HD LYS 18 -10.771 -0.086 3.548 166 1HE LYS 18 2HE LYS 18 -8.555 -1.357 4.384 167 2HE LYS 18 1HE LYS 18 -9.763 -2.284 5.296 168 1HZ LYS 18 1HZ LYS 18 -9.224 -2.369 2.530 169 2HZ LYS 18 2HZ LYS 18 -10.811 -1.806 2.755 170 3HZ LYS 18 3HZ LYS 18 -10.333 -3.296 3.417 171 H LYS 19 H LYS 19 -9.505 3.806 1.533 172 HA LYS 19 HA LYS 19 -9.722 6.267 3.141 173 1HB LYS 19 2HB LYS 19 -8.125 5.301 1.059 174 2HB LYS 19 1HB LYS 19 -9.110 6.555 0.301 175 1HG LYS 19 2HG LYS 19 -7.737 8.092 1.211 176 2HG LYS 19 1HG LYS 19 -8.334 7.609 2.799 177 1HD LYS 19 2HD LYS 19 -6.179 7.036 3.211 178 2HD LYS 19 1HD LYS 19 -6.542 5.604 2.247 179 1HE LYS 19 2HE LYS 19 -4.908 6.274 0.818 180 2HE LYS 19 1HE LYS 19 -5.961 7.628 0.366 181 1HZ LYS 19 1HZ LYS 19 -4.601 7.912 2.910 182 2HZ LYS 19 2HZ LYS 19 -4.847 9.053 1.676 183 3HZ LYS 19 3HZ LYS 19 -3.580 7.929 1.558 184 H PHE 20 H PHE 20 -10.874 5.434 -0.167 185 HA PHE 20 HA PHE 20 -13.037 7.427 0.073 186 1HB PHE 20 2HB PHE 20 -11.712 7.121 -1.996 187 2HB PHE 20 1HB PHE 20 -12.283 5.455 -2.112 188 HD1 PHE 20 HD1 PHE 20 -13.498 8.989 -1.932 189 HD2 PHE 20 HD2 PHE 20 -14.321 4.967 -3.200 190 HE1 PHE 20 HE1 PHE 20 -15.544 9.773 -3.095 191 HE2 PHE 20 HE2 PHE 20 -16.367 5.753 -4.361 192 HZ PHE 20 HZ PHE 20 -16.979 8.154 -4.308 193 1HN NH2 21 1HN NH2 21 -13.235 5.099 1.907 194 2HN NH2 21 2HN NH2 21 -14.651 4.265 1.481 Start of MODEL 14 1 1H LYS 1 1H LYS 1 -6.204 -9.826 5.860 2 2H LYS 1 2H LYS 1 -5.625 -10.573 4.448 3 3H LYS 1 3H LYS 1 -5.006 -9.066 4.930 4 HA LYS 1 HA LYS 1 -3.672 -9.950 6.544 5 1HB LYS 1 2HB LYS 1 -6.132 -11.303 7.005 6 2HB LYS 1 1HB LYS 1 -4.869 -12.534 6.968 7 1HG LYS 1 2HG LYS 1 -4.599 -9.984 8.571 8 2HG LYS 1 1HG LYS 1 -5.305 -11.455 9.243 9 1HD LYS 1 2HD LYS 1 -3.271 -12.375 9.548 10 2HD LYS 1 1HD LYS 1 -2.813 -12.044 7.877 11 1HE LYS 1 2HE LYS 1 -2.684 -9.526 8.919 12 2HE LYS 1 1HE LYS 1 -2.207 -10.493 10.328 13 1HZ LYS 1 1HZ LYS 1 -0.768 -11.776 8.703 14 2HZ LYS 1 2HZ LYS 1 -0.241 -10.214 9.108 15 3HZ LYS 1 3HZ LYS 1 -1.010 -10.494 7.619 16 H ALA 2 H ALA 2 -2.845 -10.074 4.058 17 HA ALA 2 HA ALA 2 -1.498 -12.674 3.826 18 1HB ALA 2 1HB ALA 2 -2.544 -13.347 1.798 19 2HB ALA 2 2HB ALA 2 -3.263 -11.756 1.550 20 3HB ALA 2 3HB ALA 2 -3.877 -12.813 2.822 21 H LYS 3 H LYS 3 0.539 -11.727 3.620 22 HA LYS 3 HA LYS 3 0.949 -9.976 1.238 23 1HB LYS 3 2HB LYS 3 0.911 -9.172 3.983 24 2HB LYS 3 1HB LYS 3 2.570 -9.038 3.400 25 1HG LYS 3 2HG LYS 3 1.741 -7.758 1.429 26 2HG LYS 3 1HG LYS 3 0.112 -7.826 2.102 27 1HD LYS 3 2HD LYS 3 2.032 -6.890 4.075 28 2HD LYS 3 1HD LYS 3 2.045 -5.873 2.635 29 1HE LYS 3 2HE LYS 3 -0.033 -5.037 3.067 30 2HE LYS 3 1HE LYS 3 -0.667 -6.627 3.533 31 1HZ LYS 3 1HZ LYS 3 0.583 -4.586 5.175 32 2HZ LYS 3 2HZ LYS 3 1.104 -6.173 5.484 33 3HZ LYS 3 3HZ LYS 3 -0.544 -5.779 5.601 34 H LEU 4 H LEU 4 1.742 -12.408 0.823 35 HA LEU 4 HA LEU 4 4.667 -12.467 1.485 36 1HB LEU 4 2HB LEU 4 4.494 -14.776 1.999 37 2HB LEU 4 1HB LEU 4 3.054 -14.076 2.738 38 HG LEU 4 HG LEU 4 2.231 -14.633 0.144 39 1HD1 LEU 4 1HD1 LEU 4 4.498 -15.970 0.135 40 2HD1 LEU 4 2HD1 LEU 4 3.040 -16.718 -0.521 41 3HD1 LEU 4 3HD1 LEU 4 3.591 -17.134 1.102 42 1HD2 LEU 4 1HD2 LEU 4 0.612 -15.714 1.303 43 2HD2 LEU 4 2HD2 LEU 4 1.498 -15.240 2.752 44 3HD2 LEU 4 3HD2 LEU 4 1.769 -16.827 2.031 45 H PHE 5 H PHE 5 2.483 -12.066 -0.926 46 HA PHE 5 HA PHE 5 3.497 -13.871 -2.969 47 1HB PHE 5 2HB PHE 5 1.679 -11.483 -2.754 48 2HB PHE 5 1HB PHE 5 2.129 -12.099 -4.335 49 HD1 PHE 5 HD1 PHE 5 -0.556 -12.115 -2.452 50 HD2 PHE 5 HD2 PHE 5 2.292 -15.007 -3.855 51 HE1 PHE 5 HE1 PHE 5 -2.263 -13.900 -2.235 52 HE2 PHE 5 HE2 PHE 5 0.585 -16.793 -3.639 53 HZ PHE 5 HZ PHE 5 -1.693 -16.240 -2.829 54 H LYS 6 H LYS 6 3.787 -12.068 -5.126 55 HA LYS 6 HA LYS 6 6.201 -10.464 -4.362 56 1HB LYS 6 2HB LYS 6 6.272 -12.849 -5.634 57 2HB LYS 6 1HB LYS 6 6.042 -11.788 -7.026 58 1HG LYS 6 2HG LYS 6 7.964 -10.382 -6.080 59 2HG LYS 6 1HG LYS 6 8.284 -11.739 -5.000 60 1HD LYS 6 2HD LYS 6 8.204 -11.885 -8.028 61 2HD LYS 6 1HD LYS 6 9.666 -11.892 -7.040 62 1HE LYS 6 2HE LYS 6 9.204 -14.030 -6.150 63 2HE LYS 6 1HE LYS 6 7.486 -13.938 -6.586 64 1HZ LYS 6 1HZ LYS 6 9.754 -13.993 -8.510 65 2HZ LYS 6 2HZ LYS 6 8.106 -13.906 -8.917 66 3HZ LYS 6 3HZ LYS 6 8.727 -15.300 -8.171 67 H LYS 7 H LYS 7 3.682 -9.278 -4.560 68 HA LYS 7 HA LYS 7 3.904 -7.781 -7.150 69 1HB LYS 7 2HB LYS 7 1.549 -9.031 -5.744 70 2HB LYS 7 1HB LYS 7 1.311 -7.671 -6.842 71 1HG LYS 7 2HG LYS 7 2.337 -8.885 -8.669 72 2HG LYS 7 1HG LYS 7 2.791 -10.206 -7.591 73 1HD LYS 7 2HD LYS 7 0.827 -11.178 -8.115 74 2HD LYS 7 1HD LYS 7 0.040 -9.897 -7.193 75 1HE LYS 7 2HE LYS 7 0.709 -8.798 -9.738 76 2HE LYS 7 1HE LYS 7 -0.090 -10.358 -10.020 77 1HZ LYS 7 1HZ LYS 7 -1.867 -8.919 -9.707 78 2HZ LYS 7 2HZ LYS 7 -1.074 -8.025 -8.499 79 3HZ LYS 7 3HZ LYS 7 -1.661 -9.583 -8.161 80 H ILE 8 H ILE 8 2.697 -5.609 -6.950 81 HA ILE 8 HA ILE 8 2.945 -4.509 -4.175 82 HB ILE 8 HB ILE 8 3.591 -3.040 -6.734 83 1HG1 ILE 8 2HG1 ILE 8 5.376 -4.829 -5.061 84 2HG1 ILE 8 1HG1 ILE 8 5.021 -4.981 -6.779 85 1HG2 ILE 8 1HG2 ILE 8 4.117 -2.668 -3.792 86 2HG2 ILE 8 2HG2 ILE 8 3.434 -1.524 -4.946 87 3HG2 ILE 8 3HG2 ILE 8 5.156 -1.891 -4.986 88 1HD1 ILE 8 1HD1 ILE 8 6.739 -2.937 -5.390 89 2HD1 ILE 8 2HD1 ILE 8 6.023 -2.582 -6.962 90 3HD1 ILE 8 3HD1 ILE 8 7.128 -3.944 -6.785 91 H GLY 9 H GLY 9 1.012 -4.847 -7.010 92 1HA GLY 9 2HA GLY 9 -0.575 -2.437 -6.587 93 2HA GLY 9 1HA GLY 9 -0.954 -3.729 -7.722 94 H ILE 10 H ILE 10 -0.527 -5.602 -5.305 95 HA ILE 10 HA ILE 10 -3.350 -5.640 -4.498 96 HB ILE 10 HB ILE 10 -0.953 -7.359 -3.788 97 1HG1 ILE 10 2HG1 ILE 10 -3.125 -7.598 -5.889 98 2HG1 ILE 10 1HG1 ILE 10 -1.392 -7.436 -6.167 99 1HG2 ILE 10 1HG2 ILE 10 -3.668 -7.297 -2.786 100 2HG2 ILE 10 2HG2 ILE 10 -2.328 -8.330 -2.289 101 3HG2 ILE 10 3HG2 ILE 10 -3.366 -8.815 -3.630 102 1HD1 ILE 10 1HD1 ILE 10 -2.589 -9.753 -4.633 103 2HD1 ILE 10 2HD1 ILE 10 -0.952 -9.615 -5.272 104 3HD1 ILE 10 3HD1 ILE 10 -2.316 -9.801 -6.374 105 H GLY 11 H GLY 11 -0.589 -4.082 -3.384 106 1HA GLY 11 2HA GLY 11 -1.405 -4.231 -0.534 107 2HA GLY 11 1HA GLY 11 0.103 -3.540 -1.119 108 H LYS 12 H LYS 12 -1.395 -2.059 -3.237 109 HA LYS 12 HA LYS 12 -2.068 0.298 -1.594 110 1HB LYS 12 2HB LYS 12 -1.896 1.466 -3.673 111 2HB LYS 12 1HB LYS 12 -0.652 0.219 -3.732 112 1HG LYS 12 2HG LYS 12 -1.576 -0.545 -5.636 113 2HG LYS 12 1HG LYS 12 -3.016 -0.983 -4.714 114 1HD LYS 12 2HD LYS 12 -4.117 1.019 -5.237 115 2HD LYS 12 1HD LYS 12 -2.614 1.858 -5.621 116 1HE LYS 12 2HE LYS 12 -3.546 -0.499 -7.273 117 2HE LYS 12 1HE LYS 12 -4.084 1.155 -7.627 118 1HZ LYS 12 1HZ LYS 12 -2.107 0.920 -8.830 119 2HZ LYS 12 2HZ LYS 12 -1.319 0.099 -7.567 120 3HZ LYS 12 3HZ LYS 12 -1.639 1.763 -7.435 121 H PHE 13 H PHE 13 -3.796 -2.348 -2.350 122 HA PHE 13 HA PHE 13 -6.237 -1.153 -3.419 123 1HB PHE 13 2HB PHE 13 -5.186 -3.573 -3.550 124 2HB PHE 13 1HB PHE 13 -6.075 -3.806 -2.046 125 HD1 PHE 13 HD1 PHE 13 -6.887 -1.834 -5.128 126 HD2 PHE 13 HD2 PHE 13 -7.989 -5.072 -2.529 127 HE1 PHE 13 HE1 PHE 13 -8.980 -2.157 -6.419 128 HE2 PHE 13 HE2 PHE 13 -10.083 -5.394 -3.819 129 HZ PHE 13 HZ PHE 13 -10.578 -3.936 -5.765 130 H LEU 14 H LEU 14 -5.659 -2.908 -0.403 131 HA LEU 14 HA LEU 14 -7.975 -2.073 0.969 132 1HB LEU 14 2HB LEU 14 -5.321 -3.213 1.585 133 2HB LEU 14 1HB LEU 14 -6.103 -2.403 2.943 134 HG LEU 14 HG LEU 14 -8.087 -3.950 1.600 135 1HD1 LEU 14 1HD1 LEU 14 -5.993 -5.176 0.770 136 2HD1 LEU 14 2HD1 LEU 14 -7.194 -6.158 1.609 137 3HD1 LEU 14 3HD1 LEU 14 -5.731 -5.643 2.449 138 1HD2 LEU 14 1HD2 LEU 14 -6.855 -3.650 4.259 139 2HD2 LEU 14 2HD2 LEU 14 -7.507 -5.261 3.956 140 3HD2 LEU 14 3HD2 LEU 14 -8.553 -3.846 3.825 141 H HIS 15 H HIS 15 -5.122 -0.324 0.212 142 HA HIS 15 HA HIS 15 -5.253 1.663 2.318 143 1HB HIS 15 2HB HIS 15 -3.392 0.857 0.593 144 2HB HIS 15 1HB HIS 15 -4.067 2.156 -0.387 145 HD1 HIS 15 HD1 HIS 15 -3.805 4.588 0.499 146 HD2 HIS 15 HD2 HIS 15 -2.038 1.713 2.947 147 HE1 HIS 15 HE1 HIS 15 -2.350 5.847 2.146 148 H SER 16 H SER 16 -5.821 2.073 -1.206 149 HA SER 16 HA SER 16 -7.418 4.467 -0.786 150 1HB SER 16 2HB SER 16 -7.787 4.151 -3.275 151 2HB SER 16 1HB SER 16 -6.095 4.185 -2.790 152 HG SER 16 HG SER 16 -7.334 2.302 -4.115 153 H ALA 17 H ALA 17 -8.115 1.265 -0.230 154 HA ALA 17 HA ALA 17 -10.826 1.143 -1.323 155 1HB ALA 17 1HB ALA 17 -9.414 -0.841 -1.024 156 2HB ALA 17 2HB ALA 17 -10.839 -0.977 0.006 157 3HB ALA 17 3HB ALA 17 -9.288 -0.516 0.705 158 H LYS 18 H LYS 18 -9.409 1.496 1.957 159 HA LYS 18 HA LYS 18 -12.076 2.097 3.079 160 1HB LYS 18 2HB LYS 18 -9.659 0.961 3.965 161 2HB LYS 18 1HB LYS 18 -9.800 2.487 4.840 162 1HG LYS 18 2HG LYS 18 -12.121 0.567 4.626 163 2HG LYS 18 1HG LYS 18 -10.916 0.422 5.905 164 1HD LYS 18 2HD LYS 18 -12.454 2.970 5.337 165 2HD LYS 18 1HD LYS 18 -12.944 1.782 6.546 166 1HE LYS 18 2HE LYS 18 -11.583 2.873 8.000 167 2HE LYS 18 1HE LYS 18 -10.215 2.247 7.058 168 1HZ LYS 18 1HZ LYS 18 -11.586 4.842 6.836 169 2HZ LYS 18 2HZ LYS 18 -10.852 4.169 5.459 170 3HZ LYS 18 3HZ LYS 18 -9.922 4.509 6.840 171 H LYS 19 H LYS 19 -9.534 3.799 1.629 172 HA LYS 19 HA LYS 19 -9.784 6.279 3.182 173 1HB LYS 19 2HB LYS 19 -7.872 5.181 1.610 174 2HB LYS 19 1HB LYS 19 -8.654 6.227 0.424 175 1HG LYS 19 2HG LYS 19 -8.493 8.047 2.293 176 2HG LYS 19 1HG LYS 19 -7.265 6.987 2.985 177 1HD LYS 19 2HD LYS 19 -5.869 7.171 1.076 178 2HD LYS 19 1HD LYS 19 -7.173 7.830 0.086 179 1HE LYS 19 2HE LYS 19 -5.825 9.721 0.656 180 2HE LYS 19 1HE LYS 19 -7.197 9.800 1.780 181 1HZ LYS 19 1HZ LYS 19 -5.034 9.979 2.922 182 2HZ LYS 19 2HZ LYS 19 -4.621 8.434 2.351 183 3HZ LYS 19 3HZ LYS 19 -5.923 8.625 3.426 184 H PHE 20 H PHE 20 -10.526 5.385 -0.203 185 HA PHE 20 HA PHE 20 -12.141 7.729 -0.705 186 1HB PHE 20 2HB PHE 20 -10.861 6.210 -2.320 187 2HB PHE 20 1HB PHE 20 -12.184 5.057 -2.130 188 HD1 PHE 20 HD1 PHE 20 -14.532 5.761 -2.722 189 HD2 PHE 20 HD2 PHE 20 -11.089 8.132 -3.701 190 HE1 PHE 20 HE1 PHE 20 -15.874 7.020 -4.385 191 HE2 PHE 20 HE2 PHE 20 -12.430 9.393 -5.365 192 HZ PHE 20 HZ PHE 20 -14.822 8.837 -5.707 193 1HN NH2 21 1HN NH2 21 -13.099 4.255 -0.344 194 2HN NH2 21 2HN NH2 21 -14.664 4.585 0.225 Start of MODEL 15 1 1H LYS 1 1H LYS 1 12.190 -19.123 -9.279 2 2H LYS 1 2H LYS 1 13.844 -19.204 -9.662 3 3H LYS 1 3H LYS 1 13.032 -17.712 -9.697 4 HA LYS 1 HA LYS 1 13.000 -19.168 -7.159 5 1HB LYS 1 2HB LYS 1 15.311 -18.233 -6.728 6 2HB LYS 1 1HB LYS 1 15.273 -19.522 -7.930 7 1HG LYS 1 2HG LYS 1 16.503 -18.001 -9.134 8 2HG LYS 1 1HG LYS 1 14.896 -17.413 -9.564 9 1HD LYS 1 2HD LYS 1 15.419 -15.428 -8.644 10 2HD LYS 1 1HD LYS 1 15.546 -16.225 -7.075 11 1HE LYS 1 2HE LYS 1 17.787 -15.916 -7.081 12 2HE LYS 1 1HE LYS 1 17.919 -16.793 -8.619 13 1HZ LYS 1 1HZ LYS 1 18.624 -14.453 -8.811 14 2HZ LYS 1 2HZ LYS 1 17.064 -13.957 -8.355 15 3HZ LYS 1 3HZ LYS 1 17.297 -14.810 -9.805 16 H ALA 2 H ALA 2 13.596 -17.326 -5.466 17 HA ALA 2 HA ALA 2 12.842 -15.287 -4.520 18 1HB ALA 2 1HB ALA 2 13.312 -13.365 -6.194 19 2HB ALA 2 2HB ALA 2 13.848 -14.635 -7.294 20 3HB ALA 2 3HB ALA 2 14.671 -14.399 -5.752 21 H LYS 3 H LYS 3 10.566 -16.021 -4.463 22 HA LYS 3 HA LYS 3 8.875 -14.524 -6.427 23 1HB LYS 3 2HB LYS 3 7.382 -16.760 -5.849 24 2HB LYS 3 1HB LYS 3 8.394 -16.587 -7.280 25 1HG LYS 3 2HG LYS 3 8.933 -18.698 -6.217 26 2HG LYS 3 1HG LYS 3 10.293 -17.603 -5.980 27 1HD LYS 3 2HD LYS 3 10.063 -18.320 -3.807 28 2HD LYS 3 1HD LYS 3 8.893 -17.000 -3.765 29 1HE LYS 3 2HE LYS 3 7.055 -18.549 -4.201 30 2HE LYS 3 1HE LYS 3 8.196 -19.894 -4.388 31 1HZ LYS 3 1HZ LYS 3 9.016 -19.398 -2.129 32 2HZ LYS 3 2HZ LYS 3 7.388 -19.883 -2.142 33 3HZ LYS 3 3HZ LYS 3 7.787 -18.243 -1.952 34 H LEU 4 H LEU 4 9.091 -13.111 -4.320 35 HA LEU 4 HA LEU 4 6.800 -13.841 -2.539 36 1HB LEU 4 2HB LEU 4 8.188 -12.740 -0.707 37 2HB LEU 4 1HB LEU 4 8.822 -14.269 -1.310 38 HG LEU 4 HG LEU 4 10.230 -12.857 -2.933 39 1HD1 LEU 4 1HD1 LEU 4 9.817 -10.642 -2.932 40 2HD1 LEU 4 2HD1 LEU 4 10.484 -10.575 -1.300 41 3HD1 LEU 4 3HD1 LEU 4 8.750 -10.801 -1.536 42 1HD2 LEU 4 1HD2 LEU 4 11.924 -13.181 -1.464 43 2HD2 LEU 4 2HD2 LEU 4 10.686 -13.770 -0.354 44 3HD2 LEU 4 3HD2 LEU 4 11.207 -12.087 -0.282 45 H PHE 5 H PHE 5 8.161 -11.590 -4.647 46 HA PHE 5 HA PHE 5 6.697 -9.284 -3.439 47 1HB PHE 5 2HB PHE 5 9.130 -9.119 -4.059 48 2HB PHE 5 1HB PHE 5 8.676 -9.409 -5.739 49 HD1 PHE 5 HD1 PHE 5 8.254 -7.572 -7.105 50 HD2 PHE 5 HD2 PHE 5 7.733 -7.193 -2.860 51 HE1 PHE 5 HE1 PHE 5 7.719 -5.166 -7.387 52 HE2 PHE 5 HE2 PHE 5 7.201 -4.786 -3.139 53 HZ PHE 5 HZ PHE 5 7.192 -3.773 -5.402 54 H LYS 6 H LYS 6 4.539 -9.995 -4.153 55 HA LYS 6 HA LYS 6 4.027 -9.329 -7.003 56 1HB LYS 6 2HB LYS 6 4.453 -11.923 -6.264 57 2HB LYS 6 1HB LYS 6 2.707 -11.799 -6.051 58 1HG LYS 6 2HG LYS 6 3.043 -12.468 -8.322 59 2HG LYS 6 1HG LYS 6 2.626 -10.754 -8.375 60 1HD LYS 6 2HD LYS 6 4.524 -11.073 -9.829 61 2HD LYS 6 1HD LYS 6 5.104 -10.246 -8.382 62 1HE LYS 6 2HE LYS 6 6.639 -12.084 -8.958 63 2HE LYS 6 1HE LYS 6 5.794 -12.476 -7.447 64 1HZ LYS 6 1HZ LYS 6 4.702 -13.242 -10.088 65 2HZ LYS 6 2HZ LYS 6 4.287 -13.852 -8.557 66 3HZ LYS 6 3HZ LYS 6 5.784 -14.248 -9.255 67 H LYS 7 H LYS 7 3.275 -7.755 -4.854 68 HA LYS 7 HA LYS 7 0.322 -8.257 -4.721 69 1HB LYS 7 2HB LYS 7 2.368 -7.963 -2.629 70 2HB LYS 7 1HB LYS 7 0.967 -6.916 -2.393 71 1HG LYS 7 2HG LYS 7 0.156 -9.580 -3.229 72 2HG LYS 7 1HG LYS 7 1.130 -9.640 -1.758 73 1HD LYS 7 2HD LYS 7 -0.932 -7.506 -1.872 74 2HD LYS 7 1HD LYS 7 -1.530 -9.160 -1.727 75 1HE LYS 7 2HE LYS 7 0.576 -9.100 0.086 76 2HE LYS 7 1HE LYS 7 -0.181 -7.506 0.277 77 1HZ LYS 7 1HZ LYS 7 -2.367 -8.757 0.205 78 2HZ LYS 7 2HZ LYS 7 -1.445 -8.933 1.621 79 3HZ LYS 7 3HZ LYS 7 -1.462 -10.170 0.455 80 H ILE 8 H ILE 8 -0.177 -6.696 -6.300 81 HA ILE 8 HA ILE 8 0.541 -3.867 -5.608 82 HB ILE 8 HB ILE 8 0.029 -4.938 -8.386 83 1HG1 ILE 8 2HG1 ILE 8 2.622 -4.943 -6.817 84 2HG1 ILE 8 1HG1 ILE 8 1.820 -6.325 -7.560 85 1HG2 ILE 8 1HG2 ILE 8 0.567 -2.841 -9.020 86 2HG2 ILE 8 2HG2 ILE 8 2.027 -2.850 -8.030 87 3HG2 ILE 8 3HG2 ILE 8 0.479 -2.389 -7.318 88 1HD1 ILE 8 1HD1 ILE 8 2.763 -3.957 -9.186 89 2HD1 ILE 8 2HD1 ILE 8 2.308 -5.561 -9.762 90 3HD1 ILE 8 3HD1 ILE 8 3.804 -5.342 -8.853 91 H GLY 9 H GLY 9 -1.857 -6.116 -6.937 92 1HA GLY 9 2HA GLY 9 -3.879 -3.964 -7.086 93 2HA GLY 9 1HA GLY 9 -4.105 -5.624 -7.635 94 H ILE 10 H ILE 10 -2.749 -6.295 -4.902 95 HA ILE 10 HA ILE 10 -5.288 -6.175 -3.321 96 HB ILE 10 HB ILE 10 -3.026 -8.135 -2.934 97 1HG1 ILE 10 2HG1 ILE 10 -5.315 -8.412 -4.908 98 2HG1 ILE 10 1HG1 ILE 10 -3.627 -8.158 -5.345 99 1HG2 ILE 10 1HG2 ILE 10 -4.788 -9.550 -2.058 100 2HG2 ILE 10 2HG2 ILE 10 -6.026 -8.413 -2.593 101 3HG2 ILE 10 3HG2 ILE 10 -4.919 -7.967 -1.292 102 1HD1 ILE 10 1HD1 ILE 10 -3.077 -10.324 -4.948 103 2HD1 ILE 10 2HD1 ILE 10 -4.812 -10.624 -5.039 104 3HD1 ILE 10 3HD1 ILE 10 -4.040 -10.389 -3.472 105 H GLY 11 H GLY 11 -2.117 -5.033 -3.490 106 1HA GLY 11 2HA GLY 11 -1.641 -4.882 -0.601 107 2HA GLY 11 1HA GLY 11 -0.604 -4.217 -1.851 108 H LYS 12 H LYS 12 -1.176 -2.198 -2.776 109 HA LYS 12 HA LYS 12 -2.103 -0.214 -0.956 110 1HB LYS 12 2HB LYS 12 -0.567 0.094 -2.889 111 2HB LYS 12 1HB LYS 12 -1.924 -0.178 -3.985 112 1HG LYS 12 2HG LYS 12 -2.095 2.097 -3.884 113 2HG LYS 12 1HG LYS 12 -2.982 1.746 -2.402 114 1HD LYS 12 2HD LYS 12 -1.186 2.308 -1.031 115 2HD LYS 12 1HD LYS 12 0.005 1.998 -2.295 116 1HE LYS 12 2HE LYS 12 -2.001 4.262 -2.496 117 2HE LYS 12 1HE LYS 12 -0.396 4.468 -1.768 118 1HZ LYS 12 1HZ LYS 12 -1.054 4.360 -4.497 119 2HZ LYS 12 2HZ LYS 12 -0.097 3.003 -4.134 120 3HZ LYS 12 3HZ LYS 12 0.475 4.566 -3.795 121 H PHE 13 H PHE 13 -3.893 -2.458 -2.799 122 HA PHE 13 HA PHE 13 -6.179 -0.990 -3.583 123 1HB PHE 13 2HB PHE 13 -5.284 -3.491 -3.818 124 2HB PHE 13 1HB PHE 13 -6.374 -3.743 -2.461 125 HD1 PHE 13 HD1 PHE 13 -8.367 -4.698 -3.214 126 HD2 PHE 13 HD2 PHE 13 -6.546 -1.549 -5.501 127 HE1 PHE 13 HE1 PHE 13 -10.298 -4.710 -4.771 128 HE2 PHE 13 HE2 PHE 13 -8.477 -1.561 -7.057 129 HZ PHE 13 HZ PHE 13 -10.353 -3.143 -6.691 130 H LEU 14 H LEU 14 -5.388 -2.619 -0.574 131 HA LEU 14 HA LEU 14 -7.824 -2.068 0.830 132 1HB LEU 14 2HB LEU 14 -6.527 -2.760 2.768 133 2HB LEU 14 1HB LEU 14 -6.027 -3.746 1.394 134 HG LEU 14 HG LEU 14 -4.332 -1.629 1.135 135 1HD1 LEU 14 1HD1 LEU 14 -4.244 -0.427 3.035 136 2HD1 LEU 14 2HD1 LEU 14 -3.684 -1.871 3.878 137 3HD1 LEU 14 3HD1 LEU 14 -5.407 -1.500 3.811 138 1HD2 LEU 14 1HD2 LEU 14 -2.690 -3.181 1.623 139 2HD2 LEU 14 2HD2 LEU 14 -4.067 -4.271 1.448 140 3HD2 LEU 14 3HD2 LEU 14 -3.531 -3.776 3.054 141 H HIS 15 H HIS 15 -5.061 -0.130 0.101 142 HA HIS 15 HA HIS 15 -5.329 1.844 2.193 143 1HB HIS 15 2HB HIS 15 -3.298 1.435 0.837 144 2HB HIS 15 1HB HIS 15 -4.146 1.978 -0.599 145 HD1 HIS 15 HD1 HIS 15 -4.361 4.474 -0.980 146 HD2 HIS 15 HD2 HIS 15 -2.846 3.544 2.787 147 HE1 HIS 15 HE1 HIS 15 -3.606 6.663 0.044 148 H SER 16 H SER 16 -5.809 2.396 -1.285 149 HA SER 16 HA SER 16 -7.528 4.646 -0.955 150 1HB SER 16 2HB SER 16 -6.173 3.631 -2.985 151 2HB SER 16 1HB SER 16 -7.687 2.794 -3.317 152 HG SER 16 HG SER 16 -7.041 5.490 -3.478 153 H ALA 17 H ALA 17 -8.103 1.304 -0.587 154 HA ALA 17 HA ALA 17 -10.935 1.250 -1.231 155 1HB ALA 17 1HB ALA 17 -8.932 -0.484 0.199 156 2HB ALA 17 2HB ALA 17 -9.854 -0.831 -1.264 157 3HB ALA 17 3HB ALA 17 -10.649 -0.877 0.310 158 H LYS 18 H LYS 18 -9.090 1.422 1.831 159 HA LYS 18 HA LYS 18 -11.510 1.867 3.419 160 1HB LYS 18 2HB LYS 18 -9.313 0.681 4.061 161 2HB LYS 18 1HB LYS 18 -8.626 2.299 4.224 162 1HG LYS 18 2HG LYS 18 -10.087 2.872 5.988 163 2HG LYS 18 1HG LYS 18 -11.200 1.556 5.609 164 1HD LYS 18 2HD LYS 18 -9.566 -0.096 6.346 165 2HD LYS 18 1HD LYS 18 -8.369 1.170 6.625 166 1HE LYS 18 2HE LYS 18 -10.770 1.887 8.029 167 2HE LYS 18 1HE LYS 18 -10.333 0.221 8.459 168 1HZ LYS 18 1HZ LYS 18 -8.051 0.954 8.812 169 2HZ LYS 18 2HZ LYS 18 -9.117 1.799 9.829 170 3HZ LYS 18 3HZ LYS 18 -8.488 2.551 8.442 171 H LYS 19 H LYS 19 -9.758 3.811 1.362 172 HA LYS 19 HA LYS 19 -9.737 6.281 2.949 173 1HB LYS 19 2HB LYS 19 -8.500 5.240 0.657 174 2HB LYS 19 1HB LYS 19 -9.530 6.537 0.051 175 1HG LYS 19 2HG LYS 19 -7.738 6.941 2.444 176 2HG LYS 19 1HG LYS 19 -7.146 7.179 0.799 177 1HD LYS 19 2HD LYS 19 -7.943 9.292 1.029 178 2HD LYS 19 1HD LYS 19 -9.521 8.559 0.740 179 1HE LYS 19 2HE LYS 19 -9.587 9.939 2.786 180 2HE LYS 19 1HE LYS 19 -9.778 8.226 3.210 181 1HZ LYS 19 1HZ LYS 19 -7.082 8.558 3.089 182 2HZ LYS 19 2HZ LYS 19 -8.006 8.529 4.514 183 3HZ LYS 19 3HZ LYS 19 -7.601 10.012 3.793 184 H PHE 20 H PHE 20 -11.283 5.538 -0.187 185 HA PHE 20 HA PHE 20 -13.584 7.275 0.642 186 1HB PHE 20 2HB PHE 20 -12.112 7.973 -1.267 187 2HB PHE 20 1HB PHE 20 -12.570 6.495 -2.111 188 HD1 PHE 20 HD1 PHE 20 -14.766 8.598 0.040 189 HD2 PHE 20 HD2 PHE 20 -13.786 7.377 -3.960 190 HE1 PHE 20 HE1 PHE 20 -16.815 9.713 -0.803 191 HE2 PHE 20 HE2 PHE 20 -15.835 8.490 -4.802 192 HZ PHE 20 HZ PHE 20 -17.349 9.658 -3.223 193 1HN NH2 21 1HN NH2 21 -15.713 6.384 0.431 194 2HN NH2 21 2HN NH2 21 -16.013 4.774 -0.014 Start of MODEL 16 1 1H LYS 1 1H LYS 1 1.476 -3.829 17.792 2 2H LYS 1 2H LYS 1 0.162 -4.443 18.676 3 3H LYS 1 3H LYS 1 1.001 -3.076 19.236 4 HA LYS 1 HA LYS 1 -1.258 -2.739 18.037 5 1HB LYS 1 2HB LYS 1 -0.367 -0.571 17.349 6 2HB LYS 1 1HB LYS 1 0.446 -1.072 18.834 7 1HG LYS 1 2HG LYS 1 2.102 -2.203 17.028 8 2HG LYS 1 1HG LYS 1 1.523 -0.840 16.070 9 1HD LYS 1 2HD LYS 1 3.078 0.397 17.143 10 2HD LYS 1 1HD LYS 1 2.025 0.292 18.555 11 1HE LYS 1 2HE LYS 1 3.215 -1.620 19.411 12 2HE LYS 1 1HE LYS 1 4.131 -1.795 17.900 13 1HZ LYS 1 1HZ LYS 1 5.593 -0.539 19.102 14 2HZ LYS 1 2HZ LYS 1 4.378 0.242 19.997 15 3HZ LYS 1 3HZ LYS 1 4.683 0.705 18.391 16 H ALA 2 H ALA 2 -2.215 -3.508 16.190 17 HA ALA 2 HA ALA 2 -0.696 -4.605 13.973 18 1HB ALA 2 1HB ALA 2 -3.594 -3.976 14.550 19 2HB ALA 2 2HB ALA 2 -2.813 -5.556 14.489 20 3HB ALA 2 3HB ALA 2 -3.091 -4.651 13.001 21 H LYS 3 H LYS 3 0.600 -2.816 13.190 22 HA LYS 3 HA LYS 3 -0.957 -0.888 11.518 23 1HB LYS 3 2HB LYS 3 -0.405 0.336 13.504 24 2HB LYS 3 1HB LYS 3 1.229 -0.329 13.539 25 1HG LYS 3 2HG LYS 3 1.923 0.963 11.687 26 2HG LYS 3 1HG LYS 3 0.263 1.308 11.196 27 1HD LYS 3 2HD LYS 3 0.166 3.124 12.527 28 2HD LYS 3 1HD LYS 3 0.762 2.211 13.914 29 1HE LYS 3 2HE LYS 3 3.072 2.532 13.200 30 2HE LYS 3 1HE LYS 3 2.532 3.323 11.706 31 1HZ LYS 3 1HZ LYS 3 1.630 4.278 14.353 32 2HZ LYS 3 2HZ LYS 3 1.650 5.113 12.873 33 3HZ LYS 3 3HZ LYS 3 3.103 4.808 13.699 34 H LEU 4 H LEU 4 0.374 -0.005 9.727 35 HA LEU 4 HA LEU 4 3.058 -0.928 9.195 36 1HB LEU 4 2HB LEU 4 2.529 -2.678 7.586 37 2HB LEU 4 1HB LEU 4 1.705 -3.050 9.103 38 HG LEU 4 HG LEU 4 -0.045 -1.371 7.653 39 1HD1 LEU 4 1HD1 LEU 4 -0.026 -3.468 5.769 40 2HD1 LEU 4 2HD1 LEU 4 1.645 -2.918 5.890 41 3HD1 LEU 4 3HD1 LEU 4 0.368 -1.774 5.479 42 1HD2 LEU 4 1HD2 LEU 4 -1.509 -3.294 7.752 43 2HD2 LEU 4 2HD2 LEU 4 -0.548 -3.277 9.229 44 3HD2 LEU 4 3HD2 LEU 4 -0.137 -4.389 7.925 45 H PHE 5 H PHE 5 2.309 1.599 8.840 46 HA PHE 5 HA PHE 5 1.098 2.132 6.234 47 1HB PHE 5 2HB PHE 5 1.156 3.556 8.412 48 2HB PHE 5 1HB PHE 5 2.762 4.045 7.869 49 HD1 PHE 5 HD1 PHE 5 3.066 5.347 5.814 50 HD2 PHE 5 HD2 PHE 5 -0.844 4.195 7.171 51 HE1 PHE 5 HE1 PHE 5 2.043 6.960 4.234 52 HE2 PHE 5 HE2 PHE 5 -1.867 5.811 5.592 53 HZ PHE 5 HZ PHE 5 -0.424 7.193 4.124 54 H LYS 6 H LYS 6 3.127 0.385 5.682 55 HA LYS 6 HA LYS 6 5.005 2.085 4.138 56 1HB LYS 6 2HB LYS 6 6.881 0.583 5.057 57 2HB LYS 6 1HB LYS 6 6.217 1.777 6.172 58 1HG LYS 6 2HG LYS 6 4.618 -0.064 6.961 59 2HG LYS 6 1HG LYS 6 5.641 -1.190 6.071 60 1HD LYS 6 2HD LYS 6 7.466 -0.861 7.478 61 2HD LYS 6 1HD LYS 6 6.916 0.736 7.985 62 1HE LYS 6 2HE LYS 6 4.952 -0.452 9.131 63 2HE LYS 6 1HE LYS 6 5.853 -1.959 8.867 64 1HZ LYS 6 1HZ LYS 6 6.583 -1.150 10.939 65 2HZ LYS 6 2HZ LYS 6 6.722 0.445 10.369 66 3HZ LYS 6 3HZ LYS 6 7.816 -0.745 9.847 67 H LYS 7 H LYS 7 2.791 0.362 3.367 68 HA LYS 7 HA LYS 7 4.306 -1.697 1.798 69 1HB LYS 7 2HB LYS 7 2.326 -2.025 3.832 70 2HB LYS 7 1HB LYS 7 1.594 -2.495 2.298 71 1HG LYS 7 2HG LYS 7 3.850 -3.789 1.933 72 2HG LYS 7 1HG LYS 7 3.987 -3.666 3.688 73 1HD LYS 7 2HD LYS 7 1.457 -4.500 3.586 74 2HD LYS 7 1HD LYS 7 1.990 -5.167 2.043 75 1HE LYS 7 2HE LYS 7 3.233 -5.699 4.765 76 2HE LYS 7 1HE LYS 7 2.369 -6.864 3.741 77 1HZ LYS 7 1HZ LYS 7 4.025 -6.273 1.962 78 2HZ LYS 7 2HZ LYS 7 4.651 -7.158 3.271 79 3HZ LYS 7 3HZ LYS 7 4.929 -5.486 3.161 80 H ILE 8 H ILE 8 3.817 -1.651 -0.385 81 HA ILE 8 HA ILE 8 1.441 -0.026 -1.235 82 HB ILE 8 HB ILE 8 4.093 -0.224 -2.679 83 1HG1 ILE 8 2HG1 ILE 8 3.217 1.612 -0.442 84 2HG1 ILE 8 1HG1 ILE 8 4.715 0.692 -0.576 85 1HG2 ILE 8 1HG2 ILE 8 3.199 1.297 -4.116 86 2HG2 ILE 8 2HG2 ILE 8 2.445 2.216 -2.812 87 3HG2 ILE 8 3HG2 ILE 8 1.648 0.779 -3.454 88 1HD1 ILE 8 1HD1 ILE 8 5.089 3.094 -1.040 89 2HD1 ILE 8 2HD1 ILE 8 3.924 3.012 -2.361 90 3HD1 ILE 8 3HD1 ILE 8 5.431 2.104 -2.459 91 H GLY 9 H GLY 9 3.676 -2.678 -2.044 92 1HA GLY 9 2HA GLY 9 2.642 -3.602 -4.443 93 2HA GLY 9 1HA GLY 9 3.195 -4.692 -3.178 94 H ILE 10 H ILE 10 1.627 -5.207 -1.494 95 HA ILE 10 HA ILE 10 -1.087 -5.600 -2.633 96 HB ILE 10 HB ILE 10 0.174 -6.676 -0.100 97 1HG1 ILE 10 2HG1 ILE 10 1.467 -7.085 -2.303 98 2HG1 ILE 10 1HG1 ILE 10 1.058 -8.496 -1.335 99 1HG2 ILE 10 1HG2 ILE 10 -2.251 -6.961 -0.233 100 2HG2 ILE 10 2HG2 ILE 10 -1.461 -8.521 -0.462 101 3HG2 ILE 10 3HG2 ILE 10 -2.106 -7.646 -1.852 102 1HD1 ILE 10 1HD1 ILE 10 0.525 -8.324 -3.981 103 2HD1 ILE 10 2HD1 ILE 10 -0.971 -7.655 -3.332 104 3HD1 ILE 10 3HD1 ILE 10 -0.457 -9.276 -2.866 105 H GLY 11 H GLY 11 0.481 -3.402 -0.654 106 1HA GLY 11 2HA GLY 11 -1.772 -3.006 1.216 107 2HA GLY 11 1HA GLY 11 -0.239 -2.138 1.247 108 H LYS 12 H LYS 12 -1.424 -2.256 -1.898 109 HA LYS 12 HA LYS 12 -2.078 0.609 -1.839 110 1HB LYS 12 2HB LYS 12 -0.740 -0.665 -3.596 111 2HB LYS 12 1HB LYS 12 -2.265 -1.375 -4.119 112 1HG LYS 12 2HG LYS 12 -2.576 1.470 -3.836 113 2HG LYS 12 1HG LYS 12 -1.187 1.128 -4.870 114 1HD LYS 12 2HD LYS 12 -2.469 0.042 -6.469 115 2HD LYS 12 1HD LYS 12 -3.713 -0.420 -5.307 116 1HE LYS 12 2HE LYS 12 -4.643 1.327 -6.716 117 2HE LYS 12 1HE LYS 12 -4.308 2.053 -5.133 118 1HZ LYS 12 1HZ LYS 12 -2.012 2.039 -6.849 119 2HZ LYS 12 2HZ LYS 12 -2.705 3.326 -5.982 120 3HZ LYS 12 3HZ LYS 12 -3.300 2.915 -7.519 121 H PHE 13 H PHE 13 -3.794 -2.301 -3.050 122 HA PHE 13 HA PHE 13 -6.300 -1.248 -3.578 123 1HB PHE 13 2HB PHE 13 -5.492 -3.606 -3.851 124 2HB PHE 13 1HB PHE 13 -5.719 -3.833 -2.121 125 HD1 PHE 13 HD1 PHE 13 -7.623 -5.086 -1.672 126 HD2 PHE 13 HD2 PHE 13 -7.742 -2.149 -4.806 127 HE1 PHE 13 HE1 PHE 13 -10.029 -5.566 -2.030 128 HE2 PHE 13 HE2 PHE 13 -10.148 -2.632 -5.166 129 HZ PHE 13 HZ PHE 13 -11.291 -4.341 -3.778 130 H LEU 14 H LEU 14 -5.601 -2.865 -0.539 131 HA LEU 14 HA LEU 14 -7.826 -2.023 0.936 132 1HB LEU 14 2HB LEU 14 -4.969 -2.499 1.836 133 2HB LEU 14 1HB LEU 14 -6.376 -2.518 2.898 134 HG LEU 14 HG LEU 14 -6.827 -4.220 0.601 135 1HD1 LEU 14 1HD1 LEU 14 -5.128 -5.937 1.151 136 2HD1 LEU 14 2HD1 LEU 14 -4.394 -4.829 2.309 137 3HD1 LEU 14 3HD1 LEU 14 -4.376 -4.444 0.588 138 1HD2 LEU 14 1HD2 LEU 14 -6.741 -5.833 2.809 139 2HD2 LEU 14 2HD2 LEU 14 -8.141 -4.864 2.353 140 3HD2 LEU 14 3HD2 LEU 14 -7.001 -4.255 3.554 141 H HIS 15 H HIS 15 -5.065 -0.211 -0.039 142 HA HIS 15 HA HIS 15 -5.129 1.871 1.944 143 1HB HIS 15 2HB HIS 15 -3.462 1.102 -0.009 144 2HB HIS 15 1HB HIS 15 -4.312 2.364 -0.885 145 HD1 HIS 15 HD1 HIS 15 -4.032 4.814 -0.037 146 HD2 HIS 15 HD2 HIS 15 -1.836 2.016 2.136 147 HE1 HIS 15 HE1 HIS 15 -2.406 6.131 1.389 148 H SER 16 H SER 16 -6.035 2.223 -1.504 149 HA SER 16 HA SER 16 -7.769 4.475 -0.983 150 1HB SER 16 2HB SER 16 -6.670 4.230 -3.110 151 2HB SER 16 1HB SER 16 -7.305 2.601 -3.316 152 HG SER 16 HG SER 16 -9.224 4.528 -2.897 153 H ALA 17 H ALA 17 -8.178 1.196 -0.408 154 HA ALA 17 HA ALA 17 -10.920 0.799 -1.205 155 1HB ALA 17 1HB ALA 17 -9.249 -0.479 0.981 156 2HB ALA 17 2HB ALA 17 -9.259 -0.977 -0.711 157 3HB ALA 17 3HB ALA 17 -10.711 -1.163 0.272 158 H LYS 18 H LYS 18 -9.481 1.447 2.029 159 HA LYS 18 HA LYS 18 -12.183 2.259 2.990 160 1HB LYS 18 2HB LYS 18 -9.568 1.431 4.239 161 2HB LYS 18 1HB LYS 18 -10.814 2.216 5.209 162 1HG LYS 18 2HG LYS 18 -12.362 0.473 4.857 163 2HG LYS 18 1HG LYS 18 -11.474 -0.153 3.467 164 1HD LYS 18 2HD LYS 18 -10.407 -1.578 4.839 165 2HD LYS 18 1HD LYS 18 -9.669 -0.194 5.646 166 1HE LYS 18 2HE LYS 18 -11.572 -0.031 7.188 167 2HE LYS 18 1HE LYS 18 -12.384 -1.370 6.350 168 1HZ LYS 18 1HZ LYS 18 -10.538 -2.806 6.850 169 2HZ LYS 18 2HZ LYS 18 -11.098 -2.119 8.299 170 3HZ LYS 18 3HZ LYS 18 -9.679 -1.534 7.571 171 H LYS 19 H LYS 19 -9.473 3.712 1.668 172 HA LYS 19 HA LYS 19 -9.467 6.114 3.383 173 1HB LYS 19 2HB LYS 19 -7.988 5.052 1.002 174 2HB LYS 19 1HB LYS 19 -7.904 6.779 1.345 175 1HG LYS 19 2HG LYS 19 -7.545 5.084 3.720 176 2HG LYS 19 1HG LYS 19 -6.286 4.877 2.502 177 1HD LYS 19 2HD LYS 19 -6.509 7.584 2.505 178 2HD LYS 19 1HD LYS 19 -6.918 7.235 4.184 179 1HE LYS 19 2HE LYS 19 -4.535 5.845 3.010 180 2HE LYS 19 1HE LYS 19 -4.377 7.553 3.464 181 1HZ LYS 19 1HZ LYS 19 -5.840 5.979 5.379 182 2HZ LYS 19 2HZ LYS 19 -4.567 7.077 5.626 183 3HZ LYS 19 3HZ LYS 19 -4.233 5.469 5.193 184 H PHE 20 H PHE 20 -10.193 5.405 -0.055 185 HA PHE 20 HA PHE 20 -11.792 7.928 -0.175 186 1HB PHE 20 2HB PHE 20 -9.740 7.112 -1.685 187 2HB PHE 20 1HB PHE 20 -11.032 6.281 -2.549 188 HD1 PHE 20 HD1 PHE 20 -13.193 7.782 -3.000 189 HD2 PHE 20 HD2 PHE 20 -9.243 9.302 -2.282 190 HE1 PHE 20 HE1 PHE 20 -13.812 9.911 -4.110 191 HE2 PHE 20 HE2 PHE 20 -9.859 11.432 -3.392 192 HZ PHE 20 HZ PHE 20 -12.146 11.737 -4.307 193 1HN NH2 21 1HN NH2 21 -12.121 4.476 -0.097 194 2HN NH2 21 2HN NH2 21 -13.731 4.391 -0.628 Start of MODEL 17 1 1H LYS 1 1H LYS 1 3.031 -12.866 16.914 2 2H LYS 1 2H LYS 1 3.369 -14.462 17.391 3 3H LYS 1 3H LYS 1 4.499 -13.228 17.684 4 HA LYS 1 HA LYS 1 2.829 -14.096 19.556 5 1HB LYS 1 2HB LYS 1 3.983 -11.371 18.921 6 2HB LYS 1 1HB LYS 1 3.249 -11.734 20.484 7 1HG LYS 1 2HG LYS 1 4.817 -13.739 20.612 8 2HG LYS 1 1HG LYS 1 5.663 -13.049 19.226 9 1HD LYS 1 2HD LYS 1 6.873 -12.059 20.924 10 2HD LYS 1 1HD LYS 1 5.595 -10.856 20.746 11 1HE LYS 1 2HE LYS 1 4.397 -11.696 22.636 12 2HE LYS 1 1HE LYS 1 5.370 -13.179 22.681 13 1HZ LYS 1 1HZ LYS 1 6.654 -12.042 24.105 14 2HZ LYS 1 2HZ LYS 1 6.013 -10.535 23.652 15 3HZ LYS 1 3HZ LYS 1 7.249 -11.248 22.730 16 H ALA 2 H ALA 2 0.689 -14.440 18.422 17 HA ALA 2 HA ALA 2 -1.579 -13.822 18.149 18 1HB ALA 2 1HB ALA 2 -1.078 -11.208 19.481 19 2HB ALA 2 2HB ALA 2 -0.654 -12.647 20.408 20 3HB ALA 2 3HB ALA 2 -2.305 -12.426 19.828 21 H LYS 3 H LYS 3 -0.259 -13.421 15.876 22 HA LYS 3 HA LYS 3 -1.407 -10.916 14.809 23 1HB LYS 3 2HB LYS 3 0.981 -10.615 15.837 24 2HB LYS 3 1HB LYS 3 1.526 -11.467 14.390 25 1HG LYS 3 2HG LYS 3 1.492 -9.455 13.361 26 2HG LYS 3 1HG LYS 3 -0.267 -9.587 13.398 27 1HD LYS 3 2HD LYS 3 0.455 -7.453 14.391 28 2HD LYS 3 1HD LYS 3 -0.294 -8.482 15.614 29 1HE LYS 3 2HE LYS 3 2.573 -8.998 15.404 30 2HE LYS 3 1HE LYS 3 2.231 -7.304 15.812 31 1HZ LYS 3 1HZ LYS 3 0.550 -9.280 17.112 32 2HZ LYS 3 2HZ LYS 3 1.244 -7.864 17.742 33 3HZ LYS 3 3HZ LYS 3 2.172 -9.281 17.606 34 H LEU 4 H LEU 4 -2.002 -11.227 12.667 35 HA LEU 4 HA LEU 4 -0.769 -13.496 11.162 36 1HB LEU 4 2HB LEU 4 -3.697 -12.955 11.728 37 2HB LEU 4 1HB LEU 4 -3.154 -14.073 10.476 38 HG LEU 4 HG LEU 4 -1.905 -14.437 13.138 39 1HD1 LEU 4 1HD1 LEU 4 -4.760 -15.327 12.664 40 2HD1 LEU 4 2HD1 LEU 4 -4.342 -13.900 13.612 41 3HD1 LEU 4 3HD1 LEU 4 -3.813 -15.496 14.142 42 1HD2 LEU 4 1HD2 LEU 4 -1.463 -16.433 12.188 43 2HD2 LEU 4 2HD2 LEU 4 -2.260 -15.863 10.722 44 3HD2 LEU 4 3HD2 LEU 4 -3.182 -16.737 11.944 45 H PHE 5 H PHE 5 -0.241 -10.721 10.800 46 HA PHE 5 HA PHE 5 -1.927 -9.693 8.631 47 1HB PHE 5 2HB PHE 5 0.285 -8.849 10.375 48 2HB PHE 5 1HB PHE 5 0.402 -8.206 8.736 49 HD1 PHE 5 HD1 PHE 5 -2.194 -8.774 11.391 50 HD2 PHE 5 HD2 PHE 5 -0.718 -6.221 8.267 51 HE1 PHE 5 HE1 PHE 5 -3.954 -7.110 11.920 52 HE2 PHE 5 HE2 PHE 5 -2.480 -4.558 8.796 53 HZ PHE 5 HZ PHE 5 -4.097 -5.002 10.622 54 H LYS 6 H LYS 6 -1.077 -9.301 6.454 55 HA LYS 6 HA LYS 6 1.437 -10.538 5.616 56 1HB LYS 6 2HB LYS 6 -1.025 -12.040 5.730 57 2HB LYS 6 1HB LYS 6 -0.502 -11.892 4.051 58 1HG LYS 6 2HG LYS 6 1.151 -13.382 4.384 59 2HG LYS 6 1HG LYS 6 1.778 -12.435 5.734 60 1HD LYS 6 2HD LYS 6 -0.148 -13.466 7.110 61 2HD LYS 6 1HD LYS 6 -0.299 -14.626 5.790 62 1HE LYS 6 2HE LYS 6 2.408 -14.117 7.014 63 2HE LYS 6 1HE LYS 6 1.271 -15.228 7.801 64 1HZ LYS 6 1HZ LYS 6 2.720 -16.295 6.093 65 2HZ LYS 6 2HZ LYS 6 1.950 -15.344 4.914 66 3HZ LYS 6 3HZ LYS 6 1.058 -16.480 5.808 67 H LYS 7 H LYS 7 0.526 -7.921 5.316 68 HA LYS 7 HA LYS 7 0.041 -7.782 2.361 69 1HB LYS 7 2HB LYS 7 -1.118 -6.009 4.539 70 2HB LYS 7 1HB LYS 7 -1.455 -5.882 2.813 71 1HG LYS 7 2HG LYS 7 -1.969 -8.443 4.326 72 2HG LYS 7 1HG LYS 7 -3.173 -7.156 4.262 73 1HD LYS 7 2HD LYS 7 -2.629 -7.273 1.654 74 2HD LYS 7 1HD LYS 7 -2.168 -8.923 2.071 75 1HE LYS 7 2HE LYS 7 -4.850 -7.655 2.745 76 2HE LYS 7 1HE LYS 7 -4.564 -8.809 1.427 77 1HZ LYS 7 1HZ LYS 7 -3.483 -10.235 3.225 78 2HZ LYS 7 2HZ LYS 7 -5.180 -10.151 3.214 79 3HZ LYS 7 3HZ LYS 7 -4.289 -9.242 4.338 80 H ILE 8 H ILE 8 1.946 -6.970 1.568 81 HA ILE 8 HA ILE 8 3.210 -4.669 3.018 82 HB ILE 8 HB ILE 8 4.651 -6.739 1.353 83 1HG1 ILE 8 2HG1 ILE 8 3.920 -6.849 4.294 84 2HG1 ILE 8 1HG1 ILE 8 3.488 -8.016 3.048 85 1HG2 ILE 8 1HG2 ILE 8 5.541 -4.978 3.657 86 2HG2 ILE 8 2HG2 ILE 8 5.800 -4.609 1.952 87 3HG2 ILE 8 3HG2 ILE 8 6.575 -6.017 2.677 88 1HD1 ILE 8 1HD1 ILE 8 5.661 -8.869 2.900 89 2HD1 ILE 8 2HD1 ILE 8 5.516 -8.534 4.625 90 3HD1 ILE 8 3HD1 ILE 8 6.387 -7.414 3.580 91 H GLY 9 H GLY 9 2.742 -6.290 -0.129 92 1HA GLY 9 2HA GLY 9 3.335 -3.691 -1.462 93 2HA GLY 9 1HA GLY 9 3.458 -5.259 -2.254 94 H ILE 10 H ILE 10 0.931 -6.110 -0.929 95 HA ILE 10 HA ILE 10 -0.914 -5.058 -2.967 96 HB ILE 10 HB ILE 10 -1.550 -6.978 -0.730 97 1HG1 ILE 10 2HG1 ILE 10 -0.507 -8.065 -3.297 98 2HG1 ILE 10 1HG1 ILE 10 0.691 -7.408 -2.198 99 1HG2 ILE 10 1HG2 ILE 10 -2.450 -6.637 -3.603 100 2HG2 ILE 10 2HG2 ILE 10 -3.410 -6.373 -2.148 101 3HG2 ILE 10 3HG2 ILE 10 -2.914 -8.007 -2.594 102 1HD1 ILE 10 1HD1 ILE 10 0.051 -9.912 -1.952 103 2HD1 ILE 10 2HD1 ILE 10 -1.419 -9.300 -1.193 104 3HD1 ILE 10 3HD1 ILE 10 0.156 -8.930 -0.492 105 H GLY 11 H GLY 11 0.020 -4.126 0.107 106 1HA GLY 11 2HA GLY 11 -2.442 -3.470 1.376 107 2HA GLY 11 1HA GLY 11 -0.907 -2.668 1.697 108 H LYS 12 H LYS 12 -1.067 -2.203 -1.442 109 HA LYS 12 HA LYS 12 -1.955 0.542 -1.253 110 1HB LYS 12 2HB LYS 12 -0.475 -1.111 -2.978 111 2HB LYS 12 1HB LYS 12 -1.851 -0.570 -3.939 112 1HG LYS 12 2HG LYS 12 -1.127 1.741 -2.637 113 2HG LYS 12 1HG LYS 12 0.436 0.971 -2.909 114 1HD LYS 12 2HD LYS 12 -0.125 0.699 -5.305 115 2HD LYS 12 1HD LYS 12 -1.667 1.510 -5.026 116 1HE LYS 12 2HE LYS 12 -0.160 3.424 -4.015 117 2HE LYS 12 1HE LYS 12 1.109 2.669 -4.999 118 1HZ LYS 12 1HZ LYS 12 -0.705 4.401 -5.963 119 2HZ LYS 12 2HZ LYS 12 -1.461 2.919 -6.306 120 3HZ LYS 12 3HZ LYS 12 0.097 3.240 -6.904 121 H PHE 13 H PHE 13 -3.375 -2.406 -2.698 122 HA PHE 13 HA PHE 13 -5.685 -1.257 -3.852 123 1HB PHE 13 2HB PHE 13 -4.682 -3.651 -3.894 124 2HB PHE 13 1HB PHE 13 -5.639 -3.910 -2.437 125 HD1 PHE 13 HD1 PHE 13 -6.106 -2.285 -5.797 126 HD2 PHE 13 HD2 PHE 13 -7.734 -4.861 -2.769 127 HE1 PHE 13 HE1 PHE 13 -8.132 -2.636 -7.184 128 HE2 PHE 13 HE2 PHE 13 -9.759 -5.212 -4.156 129 HZ PHE 13 HZ PHE 13 -9.959 -4.100 -6.364 130 H LEU 14 H LEU 14 -5.523 -2.930 -0.748 131 HA LEU 14 HA LEU 14 -8.061 -2.115 0.233 132 1HB LEU 14 2HB LEU 14 -5.463 -2.852 1.610 133 2HB LEU 14 1HB LEU 14 -7.006 -2.715 2.453 134 HG LEU 14 HG LEU 14 -6.826 -4.447 0.008 135 1HD1 LEU 14 1HD1 LEU 14 -6.100 -6.338 1.344 136 2HD1 LEU 14 2HD1 LEU 14 -6.083 -5.351 2.806 137 3HD1 LEU 14 3HD1 LEU 14 -4.910 -5.048 1.524 138 1HD2 LEU 14 1HD2 LEU 14 -8.315 -4.971 2.573 139 2HD2 LEU 14 2HD2 LEU 14 -8.716 -5.490 0.935 140 3HD2 LEU 14 3HD2 LEU 14 -8.944 -3.806 1.408 141 H HIS 15 H HIS 15 -5.200 -0.314 -0.209 142 HA HIS 15 HA HIS 15 -5.440 1.610 1.914 143 1HB HIS 15 2HB HIS 15 -3.578 0.940 0.125 144 2HB HIS 15 1HB HIS 15 -4.316 2.254 -0.782 145 HD1 HIS 15 HD1 HIS 15 -5.031 3.927 1.881 146 HD2 HIS 15 HD2 HIS 15 -1.278 2.465 0.808 147 HE1 HIS 15 HE1 HIS 15 -3.331 5.350 3.106 148 H SER 16 H SER 16 -6.267 1.862 -1.571 149 HA SER 16 HA SER 16 -7.692 4.348 -1.300 150 1HB SER 16 2HB SER 16 -8.465 3.720 -3.605 151 2HB SER 16 1HB SER 16 -6.723 3.558 -3.398 152 HG SER 16 HG SER 16 -6.959 1.529 -3.844 153 H ALA 17 H ALA 17 -8.496 1.203 -0.357 154 HA ALA 17 HA ALA 17 -11.392 1.376 -0.809 155 1HB ALA 17 1HB ALA 17 -10.003 -0.510 1.077 156 2HB ALA 17 2HB ALA 17 -9.737 -0.666 -0.659 157 3HB ALA 17 3HB ALA 17 -11.365 -0.824 0.002 158 H LYS 18 H LYS 18 -9.202 1.527 2.017 159 HA LYS 18 HA LYS 18 -11.349 2.139 3.884 160 1HB LYS 18 2HB LYS 18 -8.337 2.448 4.071 161 2HB LYS 18 1HB LYS 18 -9.454 2.416 5.435 162 1HG LYS 18 2HG LYS 18 -10.073 0.133 4.973 163 2HG LYS 18 1HG LYS 18 -9.191 0.148 3.446 164 1HD LYS 18 2HD LYS 18 -7.122 0.738 4.927 165 2HD LYS 18 1HD LYS 18 -8.101 0.105 6.252 166 1HE LYS 18 2HE LYS 18 -8.485 -1.947 4.669 167 2HE LYS 18 1HE LYS 18 -7.038 -1.349 3.835 168 1HZ LYS 18 1HZ LYS 18 -7.280 -2.541 6.450 169 2HZ LYS 18 2HZ LYS 18 -6.376 -1.102 6.444 170 3HZ LYS 18 3HZ LYS 18 -5.919 -2.399 5.447 171 H LYS 19 H LYS 19 -9.460 3.939 1.673 172 HA LYS 19 HA LYS 19 -9.713 6.511 3.082 173 1HB LYS 19 2HB LYS 19 -8.664 5.577 0.402 174 2HB LYS 19 1HB LYS 19 -8.679 7.277 0.865 175 1HG LYS 19 2HG LYS 19 -7.565 6.143 3.086 176 2HG LYS 19 1HG LYS 19 -6.949 5.085 1.819 177 1HD LYS 19 2HD LYS 19 -5.786 6.795 0.758 178 2HD LYS 19 1HD LYS 19 -6.847 8.050 1.399 179 1HE LYS 19 2HE LYS 19 -5.056 6.424 3.219 180 2HE LYS 19 1HE LYS 19 -4.498 7.920 2.442 181 1HZ LYS 19 1HZ LYS 19 -7.020 7.693 3.993 182 2HZ LYS 19 2HZ LYS 19 -6.330 9.113 3.363 183 3HZ LYS 19 3HZ LYS 19 -5.567 8.288 4.637 184 H PHE 20 H PHE 20 -10.539 5.780 -0.309 185 HA PHE 20 HA PHE 20 -12.920 7.531 -0.070 186 1HB PHE 20 2HB PHE 20 -10.947 7.365 -1.877 187 2HB PHE 20 1HB PHE 20 -12.052 6.195 -2.593 188 HD1 PHE 20 HD1 PHE 20 -14.666 7.414 -1.700 189 HD2 PHE 20 HD2 PHE 20 -11.140 9.188 -3.397 190 HE1 PHE 20 HE1 PHE 20 -16.034 9.282 -2.593 191 HE2 PHE 20 HE2 PHE 20 -12.509 11.054 -4.290 192 HZ PHE 20 HZ PHE 20 -14.955 11.101 -3.888 193 1HN NH2 21 1HN NH2 21 -12.365 4.446 -1.870 194 2HN NH2 21 2HN NH2 21 -13.845 3.740 -1.430 Start of MODEL 18 1 1H LYS 1 1H LYS 1 5.135 -18.221 2.595 2 2H LYS 1 2H LYS 1 3.507 -18.005 2.162 3 3H LYS 1 3H LYS 1 4.219 -19.543 2.058 4 HA LYS 1 HA LYS 1 3.138 -19.808 4.042 5 1HB LYS 1 2HB LYS 1 4.863 -19.563 5.750 6 2HB LYS 1 1HB LYS 1 5.640 -19.989 4.226 7 1HG LYS 1 2HG LYS 1 6.463 -17.821 3.887 8 2HG LYS 1 1HG LYS 1 5.279 -17.096 4.974 9 1HD LYS 1 2HD LYS 1 7.250 -17.056 6.251 10 2HD LYS 1 1HD LYS 1 6.443 -18.520 6.818 11 1HE LYS 1 2HE LYS 1 8.705 -19.183 6.397 12 2HE LYS 1 1HE LYS 1 7.799 -19.749 4.980 13 1HZ LYS 1 1HZ LYS 1 8.819 -17.000 4.984 14 2HZ LYS 1 2HZ LYS 1 8.574 -18.059 3.678 15 3HZ LYS 1 3HZ LYS 1 9.922 -18.256 4.694 16 H ALA 2 H ALA 2 3.786 -18.114 6.418 17 HA ALA 2 HA ALA 2 1.718 -16.019 5.954 18 1HB ALA 2 1HB ALA 2 2.954 -16.800 8.591 19 2HB ALA 2 2HB ALA 2 1.774 -17.857 7.816 20 3HB ALA 2 3HB ALA 2 1.322 -16.215 8.269 21 H LYS 3 H LYS 3 3.630 -14.888 4.717 22 HA LYS 3 HA LYS 3 4.645 -12.751 6.403 23 1HB LYS 3 2HB LYS 3 6.086 -14.855 6.842 24 2HB LYS 3 1HB LYS 3 6.717 -14.606 5.215 25 1HG LYS 3 2HG LYS 3 7.567 -12.432 5.787 26 2HG LYS 3 1HG LYS 3 6.716 -12.441 7.332 27 1HD LYS 3 2HD LYS 3 8.325 -13.680 8.341 28 2HD LYS 3 1HD LYS 3 8.483 -14.760 6.956 29 1HE LYS 3 2HE LYS 3 10.532 -13.714 6.770 30 2HE LYS 3 1HE LYS 3 9.573 -12.491 5.913 31 1HZ LYS 3 1HZ LYS 3 9.258 -11.280 7.914 32 2HZ LYS 3 2HZ LYS 3 10.922 -11.605 7.804 33 3HZ LYS 3 3HZ LYS 3 9.945 -12.510 8.857 34 H LEU 4 H LEU 4 4.059 -11.203 4.874 35 HA LEU 4 HA LEU 4 5.268 -11.476 2.154 36 1HB LEU 4 2HB LEU 4 3.118 -10.220 1.461 37 2HB LEU 4 1HB LEU 4 2.962 -11.920 1.877 38 HG LEU 4 HG LEU 4 1.221 -10.365 2.868 39 1HD1 LEU 4 1HD1 LEU 4 2.518 -12.597 3.975 40 2HD1 LEU 4 2HD1 LEU 4 0.888 -12.018 4.317 41 3HD1 LEU 4 3HD1 LEU 4 2.244 -11.468 5.301 42 1HD2 LEU 4 1HD2 LEU 4 3.327 -9.602 4.871 43 2HD2 LEU 4 2HD2 LEU 4 1.739 -8.890 4.618 44 3HD2 LEU 4 3HD2 LEU 4 3.024 -8.612 3.445 45 H PHE 5 H PHE 5 6.245 -10.020 4.556 46 HA PHE 5 HA PHE 5 5.700 -7.191 4.238 47 1HB PHE 5 2HB PHE 5 7.174 -9.000 5.925 48 2HB PHE 5 1HB PHE 5 8.224 -7.662 5.458 49 HD1 PHE 5 HD1 PHE 5 6.298 -5.447 5.153 50 HD2 PHE 5 HD2 PHE 5 6.527 -8.525 8.140 51 HE1 PHE 5 HE1 PHE 5 5.137 -3.965 6.769 52 HE2 PHE 5 HE2 PHE 5 5.367 -7.044 9.755 53 HZ PHE 5 HZ PHE 5 4.671 -4.765 9.070 54 H LYS 6 H LYS 6 6.106 -7.629 1.701 55 HA LYS 6 HA LYS 6 8.617 -6.289 1.054 56 1HB LYS 6 2HB LYS 6 9.509 -8.194 -0.272 57 2HB LYS 6 1HB LYS 6 9.361 -8.608 1.437 58 1HG LYS 6 2HG LYS 6 7.447 -9.931 1.079 59 2HG LYS 6 1HG LYS 6 7.117 -9.192 -0.489 60 1HD LYS 6 2HD LYS 6 8.044 -11.262 -1.090 61 2HD LYS 6 1HD LYS 6 9.438 -10.182 -1.166 62 1HE LYS 6 2HE LYS 6 10.269 -11.989 0.103 63 2HE LYS 6 1HE LYS 6 9.741 -10.861 1.368 64 1HZ LYS 6 1HZ LYS 6 7.918 -12.090 1.845 65 2HZ LYS 6 2HZ LYS 6 8.870 -13.361 1.241 66 3HZ LYS 6 3HZ LYS 6 7.708 -12.620 0.248 67 H LYS 7 H LYS 7 6.141 -5.365 0.480 68 HA LYS 7 HA LYS 7 5.865 -5.880 -2.459 69 1HB LYS 7 2HB LYS 7 3.472 -5.938 -2.182 70 2HB LYS 7 1HB LYS 7 4.152 -7.017 -0.962 71 1HG LYS 7 2HG LYS 7 4.068 -4.391 0.152 72 2HG LYS 7 1HG LYS 7 2.491 -4.726 -0.559 73 1HD LYS 7 2HD LYS 7 1.991 -6.249 1.032 74 2HD LYS 7 1HD LYS 7 3.569 -7.024 0.886 75 1HE LYS 7 2HE LYS 7 3.615 -6.158 3.086 76 2HE LYS 7 1HE LYS 7 4.438 -4.888 2.157 77 1HZ LYS 7 1HZ LYS 7 1.925 -4.175 1.774 78 2HZ LYS 7 2HZ LYS 7 2.835 -3.611 3.093 79 3HZ LYS 7 3HZ LYS 7 1.751 -4.903 3.295 80 H ILE 8 H ILE 8 5.243 -4.022 -3.680 81 HA ILE 8 HA ILE 8 5.256 -1.425 -2.174 82 HB ILE 8 HB ILE 8 6.417 -1.922 -4.923 83 1HG1 ILE 8 2HG1 ILE 8 7.657 -2.279 -2.190 84 2HG1 ILE 8 1HG1 ILE 8 7.672 -3.401 -3.549 85 1HG2 ILE 8 1HG2 ILE 8 5.988 0.412 -4.359 86 2HG2 ILE 8 2HG2 ILE 8 7.727 0.120 -4.316 87 3HG2 ILE 8 3HG2 ILE 8 6.813 0.220 -2.811 88 1HD1 ILE 8 1HD1 ILE 8 9.753 -2.543 -3.915 89 2HD1 ILE 8 2HD1 ILE 8 9.410 -1.066 -3.015 90 3HD1 ILE 8 3HD1 ILE 8 8.863 -1.229 -4.684 91 H GLY 9 H GLY 9 3.666 -3.442 -4.440 92 1HA GLY 9 2HA GLY 9 1.969 -1.138 -5.312 93 2HA GLY 9 1HA GLY 9 2.324 -2.508 -6.364 94 H ILE 10 H ILE 10 2.018 -3.637 -3.242 95 HA ILE 10 HA ILE 10 -0.763 -4.557 -3.802 96 HB ILE 10 HB ILE 10 1.192 -5.578 -1.733 97 1HG1 ILE 10 2HG1 ILE 10 0.938 -6.411 -4.643 98 2HG1 ILE 10 1HG1 ILE 10 2.311 -5.555 -3.939 99 1HG2 ILE 10 1HG2 ILE 10 -0.910 -6.559 -1.375 100 2HG2 ILE 10 2HG2 ILE 10 -0.110 -7.732 -2.422 101 3HG2 ILE 10 3HG2 ILE 10 -1.286 -6.605 -3.098 102 1HD1 ILE 10 1HD1 ILE 10 2.277 -7.587 -2.234 103 2HD1 ILE 10 2HD1 ILE 10 3.076 -7.740 -3.798 104 3HD1 ILE 10 3HD1 ILE 10 1.458 -8.401 -3.566 105 H GLY 11 H GLY 11 0.910 -2.307 -1.928 106 1HA GLY 11 2HA GLY 11 -0.877 -2.463 0.405 107 2HA GLY 11 1HA GLY 11 0.420 -1.290 0.177 108 H LYS 12 H LYS 12 -1.015 -1.141 -2.679 109 HA LYS 12 HA LYS 12 -2.562 1.271 -1.996 110 1HB LYS 12 2HB LYS 12 -2.583 1.522 -4.432 111 2HB LYS 12 1HB LYS 12 -0.964 1.051 -3.916 112 1HG LYS 12 2HG LYS 12 -1.262 -1.190 -4.630 113 2HG LYS 12 1HG LYS 12 -3.012 -1.005 -4.748 114 1HD LYS 12 2HD LYS 12 -2.628 0.689 -6.579 115 2HD LYS 12 1HD LYS 12 -0.918 0.254 -6.540 116 1HE LYS 12 2HE LYS 12 -1.317 -1.582 -7.808 117 2HE LYS 12 1HE LYS 12 -2.565 -2.137 -6.673 118 1HZ LYS 12 1HZ LYS 12 -3.214 0.189 -8.301 119 2HZ LYS 12 2HZ LYS 12 -4.203 -1.102 -7.810 120 3HZ LYS 12 3HZ LYS 12 -3.140 -1.293 -9.121 121 H PHE 13 H PHE 13 -3.255 -2.011 -2.131 122 HA PHE 13 HA PHE 13 -5.811 -1.987 -3.483 123 1HB PHE 13 2HB PHE 13 -4.356 -3.947 -3.233 124 2HB PHE 13 1HB PHE 13 -4.566 -3.893 -1.488 125 HD1 PHE 13 HD1 PHE 13 -5.873 -5.732 -0.856 126 HD2 PHE 13 HD2 PHE 13 -6.995 -3.434 -4.306 127 HE1 PHE 13 HE1 PHE 13 -7.947 -7.074 -1.075 128 HE2 PHE 13 HE2 PHE 13 -9.070 -4.775 -4.526 129 HZ PHE 13 HZ PHE 13 -9.546 -6.596 -2.911 130 H LEU 14 H LEU 14 -5.624 -3.184 -0.227 131 HA LEU 14 HA LEU 14 -8.201 -2.264 0.524 132 1HB LEU 14 2HB LEU 14 -5.762 -3.307 1.937 133 2HB LEU 14 1HB LEU 14 -7.163 -2.785 2.875 134 HG LEU 14 HG LEU 14 -7.640 -4.589 0.543 135 1HD1 LEU 14 1HD1 LEU 14 -5.930 -5.247 2.814 136 2HD1 LEU 14 2HD1 LEU 14 -6.237 -6.168 1.342 137 3HD1 LEU 14 3HD1 LEU 14 -7.335 -6.308 2.714 138 1HD2 LEU 14 1HD2 LEU 14 -9.198 -3.473 2.520 139 2HD2 LEU 14 2HD2 LEU 14 -8.881 -5.082 3.170 140 3HD2 LEU 14 3HD2 LEU 14 -9.637 -4.903 1.586 141 H HIS 15 H HIS 15 -5.319 -0.494 0.249 142 HA HIS 15 HA HIS 15 -5.827 1.407 2.411 143 1HB HIS 15 2HB HIS 15 -3.661 0.666 1.068 144 2HB HIS 15 1HB HIS 15 -4.137 1.991 0.012 145 HD1 HIS 15 HD1 HIS 15 -4.537 4.367 1.305 146 HD2 HIS 15 HD2 HIS 15 -2.350 1.481 3.371 147 HE1 HIS 15 HE1 HIS 15 -3.338 5.581 3.177 148 H SER 16 H SER 16 -5.964 1.629 -1.170 149 HA SER 16 HA SER 16 -7.252 4.201 -1.200 150 1HB SER 16 2HB SER 16 -6.548 3.857 -3.324 151 2HB SER 16 1HB SER 16 -6.351 2.134 -3.020 152 HG SER 16 HG SER 16 -7.918 2.402 -4.590 153 H ALA 17 H ALA 17 -8.419 1.169 -0.284 154 HA ALA 17 HA ALA 17 -11.188 1.546 -1.211 155 1HB ALA 17 1HB ALA 17 -11.323 -0.518 0.476 156 2HB ALA 17 2HB ALA 17 -9.569 -0.475 0.294 157 3HB ALA 17 3HB ALA 17 -10.596 -0.698 -1.121 158 H LYS 18 H LYS 18 -9.587 1.323 1.997 159 HA LYS 18 HA LYS 18 -11.918 2.283 3.424 160 1HB LYS 18 2HB LYS 18 -8.989 1.918 4.089 161 2HB LYS 18 1HB LYS 18 -10.181 2.421 5.287 162 1HG LYS 18 2HG LYS 18 -10.545 -0.072 3.617 163 2HG LYS 18 1HG LYS 18 -9.687 -0.093 5.158 164 1HD LYS 18 2HD LYS 18 -11.850 1.202 5.995 165 2HD LYS 18 1HD LYS 18 -12.590 0.392 4.615 166 1HE LYS 18 2HE LYS 18 -11.683 -1.792 5.484 167 2HE LYS 18 1HE LYS 18 -11.147 -0.928 6.938 168 1HZ LYS 18 1HZ LYS 18 -13.572 -1.958 6.736 169 2HZ LYS 18 2HZ LYS 18 -13.878 -0.440 6.037 170 3HZ LYS 18 3HZ LYS 18 -13.260 -0.542 7.616 171 H LYS 19 H LYS 19 -9.277 3.786 1.799 172 HA LYS 19 HA LYS 19 -9.548 6.373 3.185 173 1HB LYS 19 2HB LYS 19 -7.549 5.039 1.856 174 2HB LYS 19 1HB LYS 19 -8.081 6.186 0.627 175 1HG LYS 19 2HG LYS 19 -6.832 7.743 1.677 176 2HG LYS 19 1HG LYS 19 -8.001 7.678 2.997 177 1HD LYS 19 2HD LYS 19 -6.496 5.470 3.546 178 2HD LYS 19 1HD LYS 19 -5.280 6.529 2.830 179 1HE LYS 19 2HE LYS 19 -5.745 8.277 4.437 180 2HE LYS 19 1HE LYS 19 -7.152 7.394 5.061 181 1HZ LYS 19 1HZ LYS 19 -4.664 7.152 6.053 182 2HZ LYS 19 2HZ LYS 19 -4.705 5.856 4.955 183 3HZ LYS 19 3HZ LYS 19 -5.867 5.964 6.191 184 H PHE 20 H PHE 20 -9.841 5.368 -0.247 185 HA PHE 20 HA PHE 20 -11.788 7.601 -0.654 186 1HB PHE 20 2HB PHE 20 -9.588 7.302 -1.966 187 2HB PHE 20 1HB PHE 20 -10.379 5.933 -2.748 188 HD1 PHE 20 HD1 PHE 20 -9.931 9.475 -2.782 189 HD2 PHE 20 HD2 PHE 20 -12.725 6.373 -3.792 190 HE1 PHE 20 HE1 PHE 20 -11.100 11.030 -4.318 191 HE2 PHE 20 HE2 PHE 20 -13.895 7.927 -5.329 192 HZ PHE 20 HZ PHE 20 -13.083 10.256 -5.593 193 1HN NH2 21 1HN NH2 21 -13.866 7.108 -1.623 194 2HN NH2 21 2HN NH2 21 -14.448 5.522 -1.782 Start of MODEL 19 1 1H LYS 1 1H LYS 1 7.391 -21.382 -3.532 2 2H LYS 1 2H LYS 1 6.747 -22.822 -4.164 3 3H LYS 1 3H LYS 1 5.891 -21.953 -2.982 4 HA LYS 1 HA LYS 1 6.544 -20.698 -5.580 5 1HB LYS 1 2HB LYS 1 4.501 -22.784 -4.844 6 2HB LYS 1 1HB LYS 1 4.123 -21.591 -6.088 7 1HG LYS 1 2HG LYS 1 6.494 -22.271 -7.030 8 2HG LYS 1 1HG LYS 1 6.209 -23.745 -6.105 9 1HD LYS 1 2HD LYS 1 3.782 -23.286 -7.402 10 2HD LYS 1 1HD LYS 1 4.999 -22.879 -8.613 11 1HE LYS 1 2HE LYS 1 5.609 -25.335 -7.092 12 2HE LYS 1 1HE LYS 1 4.153 -25.440 -8.102 13 1HZ LYS 1 1HZ LYS 1 5.369 -24.637 -9.978 14 2HZ LYS 1 2HZ LYS 1 6.236 -25.943 -9.323 15 3HZ LYS 1 3HZ LYS 1 6.752 -24.349 -9.039 16 H ALA 2 H ALA 2 3.615 -21.236 -3.616 17 HA ALA 2 HA ALA 2 2.623 -18.596 -3.809 18 1HB ALA 2 1HB ALA 2 1.184 -19.298 -1.957 19 2HB ALA 2 2HB ALA 2 2.316 -20.583 -1.535 20 3HB ALA 2 3HB ALA 2 1.421 -20.658 -3.053 21 H LYS 3 H LYS 3 4.232 -17.011 -3.372 22 HA LYS 3 HA LYS 3 5.036 -16.807 -0.494 23 1HB LYS 3 2HB LYS 3 6.678 -16.507 -3.019 24 2HB LYS 3 1HB LYS 3 7.223 -15.884 -1.461 25 1HG LYS 3 2HG LYS 3 6.345 -18.514 -0.961 26 2HG LYS 3 1HG LYS 3 7.289 -18.601 -2.449 27 1HD LYS 3 2HD LYS 3 9.046 -18.726 -0.986 28 2HD LYS 3 1HD LYS 3 8.884 -16.970 -0.993 29 1HE LYS 3 2HE LYS 3 7.482 -17.050 1.016 30 2HE LYS 3 1HE LYS 3 7.533 -18.824 1.003 31 1HZ LYS 3 1HZ LYS 3 9.683 -16.910 1.571 32 2HZ LYS 3 2HZ LYS 3 10.090 -18.387 0.838 33 3HZ LYS 3 3HZ LYS 3 9.312 -18.370 2.350 34 H LEU 4 H LEU 4 2.961 -15.367 -0.802 35 HA LEU 4 HA LEU 4 3.886 -12.592 -1.072 36 1HB LEU 4 2HB LEU 4 1.996 -12.194 -2.798 37 2HB LEU 4 1HB LEU 4 3.471 -12.969 -3.370 38 HG LEU 4 HG LEU 4 1.978 -15.135 -2.548 39 1HD1 LEU 4 1HD1 LEU 4 0.002 -13.545 -4.115 40 2HD1 LEU 4 2HD1 LEU 4 0.116 -13.226 -2.384 41 3HD1 LEU 4 3HD1 LEU 4 -0.269 -14.849 -2.959 42 1HD2 LEU 4 1HD2 LEU 4 2.713 -15.600 -4.629 43 2HD2 LEU 4 2HD2 LEU 4 2.847 -13.886 -5.019 44 3HD2 LEU 4 3HD2 LEU 4 1.312 -14.723 -5.245 45 H PHE 5 H PHE 5 2.564 -14.428 0.940 46 HA PHE 5 HA PHE 5 -0.069 -13.073 1.297 47 1HB PHE 5 2HB PHE 5 1.152 -15.648 1.928 48 2HB PHE 5 1HB PHE 5 0.345 -14.945 3.329 49 HD1 PHE 5 HD1 PHE 5 -0.280 -17.271 1.026 50 HD2 PHE 5 HD2 PHE 5 -1.880 -13.462 2.202 51 HE1 PHE 5 HE1 PHE 5 -2.483 -17.903 0.077 52 HE2 PHE 5 HE2 PHE 5 -4.083 -14.095 1.256 53 HZ PHE 5 HZ PHE 5 -4.384 -16.317 0.194 54 H LYS 6 H LYS 6 3.032 -12.387 2.029 55 HA LYS 6 HA LYS 6 2.278 -10.953 4.535 56 1HB LYS 6 2HB LYS 6 4.783 -12.626 4.138 57 2HB LYS 6 1HB LYS 6 4.295 -11.803 5.621 58 1HG LYS 6 2HG LYS 6 2.231 -13.206 5.674 59 2HG LYS 6 1HG LYS 6 2.827 -14.080 4.264 60 1HD LYS 6 2HD LYS 6 4.998 -14.213 5.925 61 2HD LYS 6 1HD LYS 6 3.670 -14.266 7.085 62 1HE LYS 6 2HE LYS 6 2.783 -16.249 6.175 63 2HE LYS 6 1HE LYS 6 3.608 -16.012 4.622 64 1HZ LYS 6 1HZ LYS 6 4.931 -16.538 7.232 65 2HZ LYS 6 2HZ LYS 6 5.733 -16.266 5.759 66 3HZ LYS 6 3HZ LYS 6 4.773 -17.652 5.964 67 H LYS 7 H LYS 7 2.325 -9.378 2.486 68 HA LYS 7 HA LYS 7 5.084 -8.210 2.353 69 1HB LYS 7 2HB LYS 7 3.824 -9.589 0.352 70 2HB LYS 7 1HB LYS 7 3.335 -7.934 -0.011 71 1HG LYS 7 2HG LYS 7 5.864 -7.375 0.356 72 2HG LYS 7 1HG LYS 7 6.101 -9.104 0.089 73 1HD LYS 7 2HD LYS 7 4.383 -8.466 -1.950 74 2HD LYS 7 1HD LYS 7 5.352 -6.998 -1.832 75 1HE LYS 7 2HE LYS 7 7.319 -8.866 -1.654 76 2HE LYS 7 1HE LYS 7 6.160 -9.720 -2.694 77 1HZ LYS 7 1HZ LYS 7 5.966 -7.646 -4.005 78 2HZ LYS 7 2HZ LYS 7 7.515 -8.339 -4.076 79 3HZ LYS 7 3HZ LYS 7 7.233 -6.980 -3.094 80 H ILE 8 H ILE 8 4.471 -6.003 0.816 81 HA ILE 8 HA ILE 8 2.409 -4.536 2.429 82 HB ILE 8 HB ILE 8 4.924 -3.325 1.286 83 1HG1 ILE 8 2HG1 ILE 8 4.646 -4.774 3.935 84 2HG1 ILE 8 1HG1 ILE 8 5.688 -5.241 2.594 85 1HG2 ILE 8 1HG2 ILE 8 4.523 -2.020 3.558 86 2HG2 ILE 8 2HG2 ILE 8 2.884 -2.642 3.372 87 3HG2 ILE 8 3HG2 ILE 8 3.585 -1.619 2.120 88 1HD1 ILE 8 1HD1 ILE 8 7.283 -3.753 3.180 89 2HD1 ILE 8 2HD1 ILE 8 6.424 -3.598 4.712 90 3HD1 ILE 8 3HD1 ILE 8 6.102 -2.462 3.401 91 H GLY 9 H GLY 9 3.423 -5.527 -0.650 92 1HA GLY 9 2HA GLY 9 2.582 -3.202 -2.160 93 2HA GLY 9 1HA GLY 9 2.913 -4.792 -2.835 94 H ILE 10 H ILE 10 1.032 -6.116 -1.022 95 HA ILE 10 HA ILE 10 -1.387 -5.778 -2.614 96 HB ILE 10 HB ILE 10 -0.840 -7.352 -0.075 97 1HG1 ILE 10 2HG1 ILE 10 -0.566 -8.072 -3.011 98 2HG1 ILE 10 1HG1 ILE 10 0.730 -7.999 -1.816 99 1HG2 ILE 10 1HG2 ILE 10 -2.769 -8.663 -0.677 100 2HG2 ILE 10 2HG2 ILE 10 -2.918 -7.834 -2.226 101 3HG2 ILE 10 3HG2 ILE 10 -3.260 -6.970 -0.728 102 1HD1 ILE 10 1HD1 ILE 10 0.237 -10.053 -0.992 103 2HD1 ILE 10 2HD1 ILE 10 -0.681 -10.276 -2.481 104 3HD1 ILE 10 3HD1 ILE 10 -1.498 -9.741 -1.012 105 H GLY 11 H GLY 11 -0.137 -4.178 0.081 106 1HA GLY 11 2HA GLY 11 -2.689 -3.652 1.414 107 2HA GLY 11 1HA GLY 11 -1.140 -2.903 1.809 108 H LYS 12 H LYS 12 -1.368 -2.584 -1.441 109 HA LYS 12 HA LYS 12 -2.013 0.252 -1.271 110 1HB LYS 12 2HB LYS 12 -0.611 -1.484 -2.951 111 2HB LYS 12 1HB LYS 12 -1.976 -0.952 -3.933 112 1HG LYS 12 2HG LYS 12 -1.401 1.426 -3.158 113 2HG LYS 12 1HG LYS 12 0.125 0.752 -2.585 114 1HD LYS 12 2HD LYS 12 0.964 0.772 -4.672 115 2HD LYS 12 1HD LYS 12 -0.396 -0.187 -5.258 116 1HE LYS 12 2HE LYS 12 -0.987 1.674 -6.433 117 2HE LYS 12 1HE LYS 12 -1.507 2.343 -4.874 118 1HZ LYS 12 1HZ LYS 12 1.267 2.476 -5.933 119 2HZ LYS 12 2HZ LYS 12 0.704 3.172 -4.489 120 3HZ LYS 12 3HZ LYS 12 0.155 3.756 -5.988 121 H PHE 13 H PHE 13 -3.597 -2.588 -2.778 122 HA PHE 13 HA PHE 13 -5.837 -1.313 -3.897 123 1HB PHE 13 2HB PHE 13 -4.946 -3.774 -3.875 124 2HB PHE 13 1HB PHE 13 -5.988 -3.948 -2.468 125 HD1 PHE 13 HD1 PHE 13 -6.167 -2.377 -5.878 126 HD2 PHE 13 HD2 PHE 13 -8.135 -4.740 -2.878 127 HE1 PHE 13 HE1 PHE 13 -8.139 -2.620 -7.363 128 HE2 PHE 13 HE2 PHE 13 -10.105 -4.983 -4.364 129 HZ PHE 13 HZ PHE 13 -10.109 -3.923 -6.606 130 H LEU 14 H LEU 14 -5.505 -2.755 -0.706 131 HA LEU 14 HA LEU 14 -8.067 -1.886 0.281 132 1HB LEU 14 2HB LEU 14 -5.506 -2.696 1.689 133 2HB LEU 14 1HB LEU 14 -7.097 -2.611 2.451 134 HG LEU 14 HG LEU 14 -6.362 -4.385 0.103 135 1HD1 LEU 14 1HD1 LEU 14 -5.688 -4.786 2.710 136 2HD1 LEU 14 2HD1 LEU 14 -6.036 -6.094 1.580 137 3HD1 LEU 14 3HD1 LEU 14 -7.291 -5.518 2.676 138 1HD2 LEU 14 1HD2 LEU 14 -8.630 -5.352 0.521 139 2HD2 LEU 14 2HD2 LEU 14 -8.699 -3.667 0.005 140 3HD2 LEU 14 3HD2 LEU 14 -8.922 -4.078 1.706 141 H HIS 15 H HIS 15 -5.121 -0.245 -0.228 142 HA HIS 15 HA HIS 15 -5.184 1.704 1.884 143 1HB HIS 15 2HB HIS 15 -3.324 1.141 0.227 144 2HB HIS 15 1HB HIS 15 -4.225 2.063 -0.971 145 HD1 HIS 15 HD1 HIS 15 -4.717 4.641 -0.306 146 HD2 HIS 15 HD2 HIS 15 -1.768 2.712 1.923 147 HE1 HIS 15 HE1 HIS 15 -3.391 6.461 0.855 148 H SER 16 H SER 16 -5.983 2.239 -1.549 149 HA SER 16 HA SER 16 -7.525 4.604 -1.095 150 1HB SER 16 2HB SER 16 -7.557 2.543 -3.320 151 2HB SER 16 1HB SER 16 -8.304 4.135 -3.431 152 HG SER 16 HG SER 16 -5.569 3.464 -3.135 153 H ALA 17 H ALA 17 -8.218 1.330 -0.488 154 HA ALA 17 HA ALA 17 -11.098 1.378 -0.859 155 1HB ALA 17 1HB ALA 17 -10.959 -0.806 0.052 156 2HB ALA 17 2HB ALA 17 -9.537 -0.404 1.013 157 3HB ALA 17 3HB ALA 17 -9.395 -0.588 -0.735 158 H LYS 18 H LYS 18 -9.031 1.402 2.082 159 HA LYS 18 HA LYS 18 -11.121 1.945 3.940 160 1HB LYS 18 2HB LYS 18 -8.402 1.465 3.969 161 2HB LYS 18 1HB LYS 18 -8.488 3.148 4.491 162 1HG LYS 18 2HG LYS 18 -9.681 2.636 6.413 163 2HG LYS 18 1HG LYS 18 -10.380 1.174 5.717 164 1HD LYS 18 2HD LYS 18 -8.019 0.196 5.737 165 2HD LYS 18 1HD LYS 18 -7.560 1.573 6.740 166 1HE LYS 18 2HE LYS 18 -9.138 0.934 8.466 167 2HE LYS 18 1HE LYS 18 -9.824 -0.333 7.430 168 1HZ LYS 18 1HZ LYS 18 -7.861 -0.814 9.139 169 2HZ LYS 18 2HZ LYS 18 -6.933 -0.353 7.792 170 3HZ LYS 18 3HZ LYS 18 -8.021 -1.653 7.674 171 H LYS 19 H LYS 19 -9.553 3.913 1.614 172 HA LYS 19 HA LYS 19 -9.977 6.514 2.802 173 1HB LYS 19 2HB LYS 19 -8.632 5.446 0.668 174 2HB LYS 19 1HB LYS 19 -9.999 6.212 -0.144 175 1HG LYS 19 2HG LYS 19 -9.454 8.278 1.314 176 2HG LYS 19 1HG LYS 19 -7.902 7.492 1.604 177 1HD LYS 19 2HD LYS 19 -7.173 8.303 -0.364 178 2HD LYS 19 1HD LYS 19 -8.375 7.300 -1.179 179 1HE LYS 19 2HE LYS 19 -10.065 9.152 -0.760 180 2HE LYS 19 1HE LYS 19 -8.707 10.165 -0.234 181 1HZ LYS 19 1HZ LYS 19 -7.937 8.865 -2.581 182 2HZ LYS 19 2HZ LYS 19 -8.211 10.526 -2.354 183 3HZ LYS 19 3HZ LYS 19 -9.476 9.515 -2.864 184 H PHE 20 H PHE 20 -11.663 4.951 0.046 185 HA PHE 20 HA PHE 20 -14.095 6.560 0.739 186 1HB PHE 20 2HB PHE 20 -12.758 6.688 -1.508 187 2HB PHE 20 1HB PHE 20 -13.557 5.157 -1.873 188 HD1 PHE 20 HD1 PHE 20 -16.002 5.032 -2.113 189 HD2 PHE 20 HD2 PHE 20 -14.018 8.764 -1.348 190 HE1 PHE 20 HE1 PHE 20 -18.062 6.258 -2.751 191 HE2 PHE 20 HE2 PHE 20 -16.077 9.990 -1.986 192 HZ PHE 20 HZ PHE 20 -18.099 8.738 -2.687 193 1HN NH2 21 1HN NH2 21 -13.464 3.985 2.082 194 2HN NH2 21 2HN NH2 21 -14.680 2.890 1.632 Start of MODEL 20 1 1H LYS 1 1H LYS 1 18.248 -5.113 -13.563 2 2H LYS 1 2H LYS 1 16.690 -5.531 -14.094 3 3H LYS 1 3H LYS 1 17.006 -5.352 -12.434 4 HA LYS 1 HA LYS 1 17.392 -3.086 -14.298 5 1HB LYS 1 2HB LYS 1 14.861 -4.083 -12.951 6 2HB LYS 1 1HB LYS 1 15.014 -2.507 -13.726 7 1HG LYS 1 2HG LYS 1 14.587 -3.437 -15.728 8 2HG LYS 1 1HG LYS 1 15.988 -4.492 -15.542 9 1HD LYS 1 2HD LYS 1 14.300 -6.076 -15.696 10 2HD LYS 1 1HD LYS 1 14.350 -5.839 -13.950 11 1HE LYS 1 2HE LYS 1 12.176 -5.211 -14.011 12 2HE LYS 1 1HE LYS 1 12.632 -3.826 -15.024 13 1HZ LYS 1 1HZ LYS 1 12.717 -5.460 -16.919 14 2HZ LYS 1 2HZ LYS 1 11.164 -5.112 -16.323 15 3HZ LYS 1 3HZ LYS 1 11.931 -6.569 -15.904 16 H ALA 2 H ALA 2 15.402 -3.167 -11.418 17 HA ALA 2 HA ALA 2 17.615 -2.028 -9.769 18 1HB ALA 2 1HB ALA 2 15.036 -0.626 -9.560 19 2HB ALA 2 2HB ALA 2 15.786 -0.490 -11.151 20 3HB ALA 2 3HB ALA 2 16.663 0.038 -9.714 21 H LYS 3 H LYS 3 16.047 -1.291 -7.588 22 HA LYS 3 HA LYS 3 14.608 -3.816 -6.849 23 1HB LYS 3 2HB LYS 3 15.750 -3.686 -4.661 24 2HB LYS 3 1HB LYS 3 16.921 -3.790 -5.973 25 1HG LYS 3 2HG LYS 3 16.694 -1.116 -5.840 26 2HG LYS 3 1HG LYS 3 16.298 -1.508 -4.166 27 1HD LYS 3 2HD LYS 3 18.615 -2.973 -5.269 28 2HD LYS 3 1HD LYS 3 18.850 -1.233 -5.097 29 1HE LYS 3 2HE LYS 3 18.810 -1.328 -2.807 30 2HE LYS 3 1HE LYS 3 17.557 -2.586 -2.786 31 1HZ LYS 3 1HZ LYS 3 19.659 -3.537 -2.113 32 2HZ LYS 3 2HZ LYS 3 20.416 -2.961 -3.520 33 3HZ LYS 3 3HZ LYS 3 19.222 -4.164 -3.627 34 H LEU 4 H LEU 4 12.539 -3.000 -6.785 35 HA LEU 4 HA LEU 4 12.039 -0.703 -4.921 36 1HB LEU 4 2HB LEU 4 10.394 -1.258 -7.391 37 2HB LEU 4 1HB LEU 4 10.593 0.263 -6.521 38 HG LEU 4 HG LEU 4 12.812 -1.111 -8.069 39 1HD1 LEU 4 1HD1 LEU 4 10.929 -0.295 -9.512 40 2HD1 LEU 4 2HD1 LEU 4 12.451 0.547 -9.798 41 3HD1 LEU 4 3HD1 LEU 4 11.181 1.319 -8.850 42 1HD2 LEU 4 1HD2 LEU 4 14.117 0.351 -6.954 43 2HD2 LEU 4 2HD2 LEU 4 12.708 1.074 -6.175 44 3HD2 LEU 4 3HD2 LEU 4 13.244 1.661 -7.749 45 H PHE 5 H PHE 5 11.886 -3.772 -4.817 46 HA PHE 5 HA PHE 5 9.053 -4.430 -4.657 47 1HB PHE 5 2HB PHE 5 11.063 -5.908 -5.230 48 2HB PHE 5 1HB PHE 5 11.448 -5.890 -3.512 49 HD1 PHE 5 HD1 PHE 5 11.156 -8.297 -3.273 50 HD2 PHE 5 HD2 PHE 5 7.940 -5.818 -4.682 51 HE1 PHE 5 HE1 PHE 5 9.555 -10.151 -2.892 52 HE2 PHE 5 HE2 PHE 5 6.344 -7.671 -4.296 53 HZ PHE 5 HZ PHE 5 7.149 -9.838 -3.403 54 H LYS 6 H LYS 6 8.096 -3.049 -3.071 55 HA LYS 6 HA LYS 6 8.523 -3.849 -0.283 56 1HB LYS 6 2HB LYS 6 9.124 -1.500 0.403 57 2HB LYS 6 1HB LYS 6 10.360 -2.283 -0.582 58 1HG LYS 6 2HG LYS 6 9.191 -1.181 -2.601 59 2HG LYS 6 1HG LYS 6 8.368 -0.171 -1.412 60 1HD LYS 6 2HD LYS 6 11.068 -0.146 -0.640 61 2HD LYS 6 1HD LYS 6 11.092 0.023 -2.395 62 1HE LYS 6 2HE LYS 6 10.178 2.114 -2.319 63 2HE LYS 6 1HE LYS 6 9.032 1.661 -1.043 64 1HZ LYS 6 1HZ LYS 6 10.974 1.571 0.495 65 2HZ LYS 6 2HZ LYS 6 10.620 3.130 -0.080 66 3HZ LYS 6 3HZ LYS 6 11.924 2.257 -0.730 67 H LYS 7 H LYS 7 7.060 -1.518 -2.535 68 HA LYS 7 HA LYS 7 4.372 -2.022 -1.681 69 1HB LYS 7 2HB LYS 7 4.050 0.129 -0.419 70 2HB LYS 7 1HB LYS 7 5.142 -0.992 0.397 71 1HG LYS 7 2HG LYS 7 6.860 0.461 0.253 72 2HG LYS 7 1HG LYS 7 6.587 0.701 -1.473 73 1HD LYS 7 2HD LYS 7 4.684 2.244 -0.880 74 2HD LYS 7 1HD LYS 7 5.177 2.111 0.808 75 1HE LYS 7 2HE LYS 7 7.494 2.706 -0.814 76 2HE LYS 7 1HE LYS 7 6.220 3.901 -1.122 77 1HZ LYS 7 1HZ LYS 7 6.157 4.548 1.045 78 2HZ LYS 7 2HZ LYS 7 7.792 4.090 0.973 79 3HZ LYS 7 3HZ LYS 7 6.639 3.035 1.640 80 H ILE 8 H ILE 8 3.956 -1.852 -3.942 81 HA ILE 8 HA ILE 8 4.216 0.918 -5.060 82 HB ILE 8 HB ILE 8 4.512 -1.684 -6.578 83 1HG1 ILE 8 2HG1 ILE 8 6.510 -0.022 -5.055 84 2HG1 ILE 8 1HG1 ILE 8 6.348 -1.775 -5.114 85 1HG2 ILE 8 1HG2 ILE 8 5.273 1.189 -7.188 86 2HG2 ILE 8 2HG2 ILE 8 3.925 0.306 -7.904 87 3HG2 ILE 8 3HG2 ILE 8 5.583 -0.192 -8.240 88 1HD1 ILE 8 1HD1 ILE 8 8.320 -1.017 -6.407 89 2HD1 ILE 8 2HD1 ILE 8 7.271 -0.026 -7.418 90 3HD1 ILE 8 3HD1 ILE 8 7.125 -1.783 -7.451 91 H GLY 9 H GLY 9 2.742 -2.143 -6.197 92 1HA GLY 9 2HA GLY 9 0.198 -0.619 -6.562 93 2HA GLY 9 1HA GLY 9 0.696 -1.954 -7.599 94 H ILE 10 H ILE 10 1.645 -3.014 -4.714 95 HA ILE 10 HA ILE 10 -0.862 -4.559 -4.306 96 HB ILE 10 HB ILE 10 1.911 -4.839 -3.109 97 1HG1 ILE 10 2HG1 ILE 10 0.654 -6.000 -5.607 98 2HG1 ILE 10 1HG1 ILE 10 2.152 -5.079 -5.478 99 1HG2 ILE 10 1HG2 ILE 10 1.194 -6.782 -2.141 100 2HG2 ILE 10 2HG2 ILE 10 0.092 -7.155 -3.467 101 3HG2 ILE 10 3HG2 ILE 10 -0.380 -5.990 -2.229 102 1HD1 ILE 10 1HD1 ILE 10 2.529 -7.218 -3.728 103 2HD1 ILE 10 2HD1 ILE 10 3.220 -7.067 -5.342 104 3HD1 ILE 10 3HD1 ILE 10 1.706 -7.941 -5.109 105 H GLY 11 H GLY 11 0.570 -1.782 -3.099 106 1HA GLY 11 2HA GLY 11 -0.462 -2.208 -0.344 107 2HA GLY 11 1HA GLY 11 0.632 -0.912 -0.824 108 H LYS 12 H LYS 12 -1.367 -0.813 -3.286 109 HA LYS 12 HA LYS 12 -2.991 1.352 -2.119 110 1HB LYS 12 2HB LYS 12 -2.721 2.133 -4.226 111 2HB LYS 12 1HB LYS 12 -1.795 0.685 -4.599 112 1HG LYS 12 2HG LYS 12 -4.001 -0.471 -5.106 113 2HG LYS 12 1HG LYS 12 -4.773 1.110 -4.974 114 1HD LYS 12 2HD LYS 12 -4.300 0.783 -7.301 115 2HD LYS 12 1HD LYS 12 -3.103 1.935 -6.709 116 1HE LYS 12 2HE LYS 12 -1.820 0.372 -7.961 117 2HE LYS 12 1HE LYS 12 -1.617 -0.174 -6.283 118 1HZ LYS 12 1HZ LYS 12 -3.650 -1.569 -6.653 119 2HZ LYS 12 2HZ LYS 12 -2.284 -2.060 -7.534 120 3HZ LYS 12 3HZ LYS 12 -3.534 -1.204 -8.305 121 H PHE 13 H PHE 13 -3.339 -1.925 -2.217 122 HA PHE 13 HA PHE 13 -5.948 -2.412 -3.210 123 1HB PHE 13 2HB PHE 13 -4.217 -4.080 -2.612 124 2HB PHE 13 1HB PHE 13 -4.454 -3.700 -0.909 125 HD1 PHE 13 HD1 PHE 13 -7.182 -3.772 -3.413 126 HD2 PHE 13 HD2 PHE 13 -5.229 -5.882 -0.222 127 HE1 PHE 13 HE1 PHE 13 -9.063 -5.382 -3.328 128 HE2 PHE 13 HE2 PHE 13 -7.112 -7.493 -0.137 129 HZ PHE 13 HZ PHE 13 -9.029 -7.244 -1.690 130 H LEU 14 H LEU 14 -5.943 -3.226 0.103 131 HA LEU 14 HA LEU 14 -8.412 -1.904 0.633 132 1HB LEU 14 2HB LEU 14 -6.249 -2.994 2.458 133 2HB LEU 14 1HB LEU 14 -7.863 -2.546 3.002 134 HG LEU 14 HG LEU 14 -7.007 -4.863 1.301 135 1HD1 LEU 14 1HD1 LEU 14 -8.476 -6.076 2.755 136 2HD1 LEU 14 2HD1 LEU 14 -9.236 -4.594 3.333 137 3HD1 LEU 14 3HD1 LEU 14 -7.572 -4.965 3.783 138 1HD2 LEU 14 1HD2 LEU 14 -8.577 -3.889 -0.210 139 2HD2 LEU 14 2HD2 LEU 14 -9.645 -3.390 1.102 140 3HD2 LEU 14 3HD2 LEU 14 -9.495 -5.097 0.687 141 H HIS 15 H HIS 15 -5.278 -0.635 0.465 142 HA HIS 15 HA HIS 15 -5.422 1.408 2.497 143 1HB HIS 15 2HB HIS 15 -3.492 0.366 1.010 144 2HB HIS 15 1HB HIS 15 -3.909 1.689 -0.076 145 HD1 HIS 15 HD1 HIS 15 -3.968 4.147 1.154 146 HD2 HIS 15 HD2 HIS 15 -1.826 1.134 3.079 147 HE1 HIS 15 HE1 HIS 15 -2.451 5.301 2.824 148 H SER 16 H SER 16 -5.782 1.623 -1.069 149 HA SER 16 HA SER 16 -6.951 4.295 -0.911 150 1HB SER 16 2HB SER 16 -5.701 2.684 -2.814 151 2HB SER 16 1HB SER 16 -7.367 2.775 -3.378 152 HG SER 16 HG SER 16 -5.548 4.571 -3.715 153 H ALA 17 H ALA 17 -8.154 1.209 -0.344 154 HA ALA 17 HA ALA 17 -10.851 1.621 -1.442 155 1HB ALA 17 1HB ALA 17 -11.210 -0.566 -0.209 156 2HB ALA 17 2HB ALA 17 -9.539 -0.449 0.342 157 3HB ALA 17 3HB ALA 17 -9.890 -0.602 -1.379 158 H LYS 18 H LYS 18 -9.519 1.175 1.868 159 HA LYS 18 HA LYS 18 -11.923 2.009 3.207 160 1HB LYS 18 2HB LYS 18 -9.171 1.230 3.807 161 2HB LYS 18 1HB LYS 18 -9.756 2.484 4.902 162 1HG LYS 18 2HG LYS 18 -10.296 0.266 5.802 163 2HG LYS 18 1HG LYS 18 -11.775 1.118 5.363 164 1HD LYS 18 2HD LYS 18 -11.303 -0.109 3.021 165 2HD LYS 18 1HD LYS 18 -10.512 -1.263 4.094 166 1HE LYS 18 2HE LYS 18 -13.289 -0.250 4.722 167 2HE LYS 18 1HE LYS 18 -13.044 -1.621 3.622 168 1HZ LYS 18 1HZ LYS 18 -13.163 -1.950 6.228 169 2HZ LYS 18 2HZ LYS 18 -11.509 -1.585 6.106 170 3HZ LYS 18 3HZ LYS 18 -12.156 -2.905 5.254 171 H LYS 19 H LYS 19 -9.298 3.698 1.754 172 HA LYS 19 HA LYS 19 -9.782 6.240 3.156 173 1HB LYS 19 2HB LYS 19 -7.580 5.240 2.224 174 2HB LYS 19 1HB LYS 19 -8.168 5.766 0.646 175 1HG LYS 19 2HG LYS 19 -6.938 7.628 1.327 176 2HG LYS 19 1HG LYS 19 -8.560 8.059 1.872 177 1HD LYS 19 2HD LYS 19 -8.074 7.578 4.114 178 2HD LYS 19 1HD LYS 19 -6.708 6.545 3.698 179 1HE LYS 19 2HE LYS 19 -5.335 8.323 3.987 180 2HE LYS 19 1HE LYS 19 -6.151 9.137 2.637 181 1HZ LYS 19 1HZ LYS 19 -7.996 9.435 4.471 182 2HZ LYS 19 2HZ LYS 19 -6.721 10.547 4.311 183 3HZ LYS 19 3HZ LYS 19 -6.659 9.346 5.511 184 H PHE 20 H PHE 20 -10.184 4.976 -0.164 185 HA PHE 20 HA PHE 20 -11.989 7.278 -0.782 186 1HB PHE 20 2HB PHE 20 -9.826 6.518 -2.082 187 2HB PHE 20 1HB PHE 20 -10.896 5.295 -2.763 188 HD1 PHE 20 HD1 PHE 20 -13.460 7.000 -2.671 189 HD2 PHE 20 HD2 PHE 20 -9.483 7.825 -4.072 190 HE1 PHE 20 HE1 PHE 20 -14.365 8.684 -4.247 191 HE2 PHE 20 HE2 PHE 20 -10.391 9.512 -5.648 192 HZ PHE 20 HZ PHE 20 -12.832 9.941 -5.735 193 1HN NH2 21 1HN NH2 21 -12.701 5.101 -3.100 194 2HN NH2 21 2HN NH2 21 -13.987 4.258 -2.383
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