NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
467748 | 2kjo | 16333 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 1HT LYS 1 -20.495 -8.644 2.339 2 H2 LYS 1 2HT LYS 1 -20.121 -7.692 3.696 3 H3 LYS 1 3HT LYS 1 -18.901 -8.570 2.915 4 HA LYS 1 HA LYS 1 -20.145 -6.925 1.017 5 HB2 LYS 1 2HB LYS 1 -19.817 -5.754 3.713 6 HB3 LYS 1 1HB LYS 1 -19.025 -4.834 2.432 7 HG2 LYS 1 2HG LYS 1 -21.433 -5.416 1.254 8 HG3 LYS 1 1HG LYS 1 -21.909 -5.242 2.944 9 HD2 LYS 1 2HD LYS 1 -20.556 -3.065 2.953 10 HD3 LYS 1 1HD LYS 1 -20.493 -3.216 1.199 11 HE2 LYS 1 2HE LYS 1 -22.977 -3.010 2.915 12 HE3 LYS 1 1HE LYS 1 -22.380 -1.802 1.782 13 HZ1 LYS 1 2HZ LYS 1 -24.078 -3.961 1.274 14 HZ2 LYS 1 3HZ LYS 1 -22.634 -4.243 0.426 15 HZ3 LYS 1 1HZ LYS 1 -23.495 -2.807 0.174 16 H LYS 2 H LYS 2 -18.494 -6.015 -0.282 17 HA LYS 2 HA LYS 2 -15.717 -6.338 0.579 18 HB2 LYS 2 2HB LYS 2 -17.065 -8.099 -1.340 19 HB3 LYS 2 1HB LYS 2 -15.617 -7.337 -1.994 20 HG2 LYS 2 2HG LYS 2 -15.586 -8.626 0.742 21 HG3 LYS 2 1HG LYS 2 -15.326 -9.581 -0.717 22 HD2 LYS 2 2HD LYS 2 -13.290 -8.606 -1.170 23 HD3 LYS 2 1HD LYS 2 -13.765 -7.059 -0.467 24 HE2 LYS 2 2HE LYS 2 -12.011 -8.456 0.828 25 HE3 LYS 2 1HE LYS 2 -13.372 -7.808 1.746 26 HZ1 LYS 2 3HZ LYS 2 -12.617 -10.413 1.664 27 HZ2 LYS 2 1HZ LYS 2 -13.916 -10.373 0.573 28 HZ3 LYS 2 2HZ LYS 2 -14.134 -9.842 2.173 29 H ALA 3 H ALA 3 -15.329 -4.179 0.430 30 HA ALA 3 HA ALA 3 -16.258 -2.561 -1.744 31 HB1 ALA 3 1HB ALA 3 -14.056 -1.965 0.255 32 HB2 ALA 3 2HB ALA 3 -15.764 -1.630 0.515 33 HB3 ALA 3 3HB ALA 3 -14.890 -0.796 -0.765 34 H LEU 4 H LEU 4 -15.287 -4.441 -3.182 35 HA LEU 4 HA LEU 4 -12.606 -4.730 -3.768 36 HB2 LEU 4 2HB LEU 4 -14.739 -4.497 -5.898 37 HB3 LEU 4 1HB LEU 4 -13.253 -5.439 -5.966 38 HG LEU 4 HG LEU 4 -15.635 -5.941 -4.160 39 HD11 LEU 4 1HD1 LEU 4 -15.541 -8.166 -5.393 40 HD12 LEU 4 2HD1 LEU 4 -14.407 -7.403 -6.506 41 HD13 LEU 4 3HD1 LEU 4 -16.053 -6.782 -6.360 42 HD21 LEU 4 3HD2 LEU 4 -12.889 -7.208 -4.280 43 HD22 LEU 4 1HD2 LEU 4 -14.270 -7.962 -3.485 44 HD23 LEU 4 2HD2 LEU 4 -13.648 -6.426 -2.893 45 H LEU 5 H LEU 5 -14.839 -2.513 -5.272 46 HA LEU 5 HA LEU 5 -13.219 -1.060 -6.917 47 HB2 LEU 5 2HB LEU 5 -14.940 0.746 -5.396 48 HB3 LEU 5 1HB LEU 5 -14.969 0.349 -7.111 49 HG LEU 5 HG LEU 5 -16.071 -1.876 -6.422 50 HD11 LEU 5 1HD1 LEU 5 -17.225 -0.680 -4.018 51 HD12 LEU 5 2HD1 LEU 5 -15.486 -0.919 -3.852 52 HD13 LEU 5 3HD1 LEU 5 -16.526 -2.287 -4.242 53 HD21 LEU 5 3HD2 LEU 5 -17.247 0.082 -7.447 54 HD22 LEU 5 1HD2 LEU 5 -17.587 0.686 -5.828 55 HD23 LEU 5 2HD2 LEU 5 -18.279 -0.849 -6.360 56 H ALA 6 H ALA 6 -13.749 -0.510 -3.492 57 HA ALA 6 HA ALA 6 -11.862 1.627 -3.272 58 HB1 ALA 6 1HB ALA 6 -12.191 1.463 -0.895 59 HB2 ALA 6 2HB ALA 6 -12.872 -0.154 -1.053 60 HB3 ALA 6 3HB ALA 6 -13.760 1.241 -1.670 61 H LEU 7 H LEU 7 -11.811 -1.812 -2.570 62 HA LEU 7 HA LEU 7 -9.240 -1.985 -1.468 63 HB2 LEU 7 2HB LEU 7 -10.105 -4.057 -1.219 64 HB3 LEU 7 1HB LEU 7 -11.238 -3.814 -2.540 65 HG LEU 7 HG LEU 7 -9.247 -4.234 -4.118 66 HD11 LEU 7 1HD1 LEU 7 -7.239 -4.355 -3.090 67 HD12 LEU 7 2HD1 LEU 7 -7.743 -5.948 -2.526 68 HD13 LEU 7 3HD1 LEU 7 -7.974 -4.536 -1.492 69 HD21 LEU 7 3HD2 LEU 7 -10.785 -5.970 -4.091 70 HD22 LEU 7 1HD2 LEU 7 -10.630 -6.227 -2.354 71 HD23 LEU 7 2HD2 LEU 7 -9.372 -6.803 -3.448 72 H ALA 8 H ALA 8 -10.351 -2.138 -4.786 73 HA ALA 8 HA ALA 8 -7.832 -2.608 -6.007 74 HB1 ALA 8 1HB ALA 8 -10.467 -2.395 -6.862 75 HB2 ALA 8 2HB ALA 8 -9.055 -2.666 -7.883 76 HB3 ALA 8 3HB ALA 8 -9.656 -1.027 -7.629 77 H LEU 9 H LEU 9 -9.752 0.309 -5.719 78 HA LEU 9 HA LEU 9 -7.864 2.121 -6.755 79 HB2 LEU 9 2HB LEU 9 -10.424 2.279 -5.315 80 HB3 LEU 9 1HB LEU 9 -9.351 3.647 -5.030 81 HG LEU 9 HG LEU 9 -10.783 4.089 -6.964 82 HD11 LEU 9 1HD1 LEU 9 -8.155 3.512 -8.253 83 HD12 LEU 9 2HD1 LEU 9 -8.145 4.550 -6.829 84 HD13 LEU 9 3HD1 LEU 9 -9.100 5.004 -8.238 85 HD21 LEU 9 3HD2 LEU 9 -10.233 2.608 -9.036 86 HD22 LEU 9 1HD2 LEU 9 -11.351 1.982 -7.820 87 HD23 LEU 9 2HD2 LEU 9 -9.674 1.432 -7.847 88 H HIS 10 H HIS 10 -8.855 1.717 -3.409 89 HA HIS 10 HA HIS 10 -7.024 3.354 -2.174 90 HB2 HIS 10 2HB HIS 10 -8.890 2.285 -0.993 91 HB3 HIS 10 1HB HIS 10 -8.066 0.731 -1.099 92 HD1 HIS 10 1HD HIS 10 -8.028 3.978 0.741 93 HD2 HIS 10 2HD HIS 10 -5.730 0.502 0.556 94 HE1 HIS 10 1HE HIS 10 -6.441 4.054 2.713 95 HE2 HIS 10 2HE HIS 10 -5.059 1.926 2.636 96 H HIS 11 H HIS 11 -6.614 -0.157 -2.078 97 HA HIS 11 HA HIS 11 -3.878 -0.006 -1.400 98 HB2 HIS 11 2HB HIS 11 -5.420 -2.329 -2.569 99 HB3 HIS 11 1HB HIS 11 -3.833 -2.435 -1.813 100 HD1 HIS 11 1HD HIS 11 -3.764 -1.538 0.777 101 HD2 HIS 11 2HD HIS 11 -7.506 -2.536 -0.773 102 HE1 HIS 11 1HE HIS 11 -5.326 -1.760 2.764 103 HE2 HIS 11 2HE HIS 11 -7.625 -2.344 1.829 104 H LEU 12 H LEU 12 -3.589 1.658 -3.242 105 HA LEU 12 HA LEU 12 -2.868 0.384 -5.789 106 HB2 LEU 12 2HB LEU 12 -3.571 3.103 -4.929 107 HB3 LEU 12 1HB LEU 12 -2.179 3.046 -6.010 108 HG LEU 12 HG LEU 12 -4.778 1.599 -6.605 109 HD11 LEU 12 1HD1 LEU 12 -5.270 3.465 -8.135 110 HD12 LEU 12 2HD1 LEU 12 -3.833 4.313 -7.575 111 HD13 LEU 12 3HD1 LEU 12 -5.179 4.033 -6.472 112 HD21 LEU 12 3HD2 LEU 12 -2.789 0.761 -7.785 113 HD22 LEU 12 1HD2 LEU 12 -2.389 2.400 -8.297 114 HD23 LEU 12 2HD2 LEU 12 -3.840 1.616 -8.907 115 H ALA 13 H ALA 13 -1.422 2.704 -3.549 116 HA ALA 13 HA ALA 13 1.258 1.704 -4.250 117 HB1 ALA 13 1HB ALA 13 0.305 4.291 -3.834 118 HB2 ALA 13 2HB ALA 13 1.998 3.802 -3.921 119 HB3 ALA 13 3HB ALA 13 1.189 3.909 -2.358 120 H HIS 14 H HIS 14 2.580 0.805 -2.724 121 HA HIS 14 HA HIS 14 2.439 0.863 0.022 122 HB2 HIS 14 2HB HIS 14 0.162 -0.480 -0.978 123 HB3 HIS 14 1HB HIS 14 1.218 -1.715 -0.307 124 HD1 HIS 14 1HD HIS 14 0.520 -2.170 2.018 125 HD2 HIS 14 2HD HIS 14 0.361 1.916 1.142 126 HE1 HIS 14 1HE HIS 14 -0.178 -1.001 4.163 127 HE2 HIS 14 2HE HIS 14 -0.301 1.488 3.646 128 H LEU 15 H LEU 15 2.692 -1.405 -2.644 129 HA LEU 15 HA LEU 15 4.539 -3.149 -1.355 130 HB2 LEU 15 2HB LEU 15 4.258 -2.773 -4.336 131 HB3 LEU 15 1HB LEU 15 4.750 -4.222 -3.460 132 HG LEU 15 HG LEU 15 2.343 -3.900 -2.327 133 HD11 LEU 15 1HD1 LEU 15 2.345 -2.112 -4.643 134 HD12 LEU 15 2HD1 LEU 15 1.179 -2.239 -3.326 135 HD13 LEU 15 3HD1 LEU 15 1.050 -3.309 -4.721 136 HD21 LEU 15 3HD2 LEU 15 1.962 -5.850 -3.402 137 HD22 LEU 15 1HD2 LEU 15 3.462 -5.575 -4.287 138 HD23 LEU 15 2HD2 LEU 15 1.922 -5.051 -4.971 139 H ALA 16 H ALA 16 4.781 -0.160 -2.985 140 HA ALA 16 HA ALA 16 7.453 -0.300 -3.866 141 HB1 ALA 16 1HB ALA 16 7.295 2.121 -4.110 142 HB2 ALA 16 2HB ALA 16 5.836 2.134 -3.123 143 HB3 ALA 16 3HB ALA 16 5.824 1.348 -4.698 144 H LEU 17 H LEU 17 6.170 1.568 -1.167 145 HA LEU 17 HA LEU 17 8.307 2.575 0.053 146 HB2 LEU 17 2HB LEU 17 6.903 1.243 2.165 147 HB3 LEU 17 1HB LEU 17 6.874 2.949 1.728 148 HG LEU 17 HG LEU 17 5.244 0.914 0.214 149 HD11 LEU 17 1HD1 LEU 17 4.501 2.390 2.749 150 HD12 LEU 17 2HD1 LEU 17 4.549 0.644 2.505 151 HD13 LEU 17 3HD1 LEU 17 3.331 1.613 1.684 152 HD21 LEU 17 3HD2 LEU 17 4.360 2.715 -0.846 153 HD22 LEU 17 1HD2 LEU 17 5.740 3.606 -0.215 154 HD23 LEU 17 2HD2 LEU 17 4.205 3.627 0.653 155 H HIS 18 H HIS 18 7.256 -0.725 0.531 156 HA HIS 18 HA HIS 18 9.397 -1.536 2.203 157 HB2 HIS 18 2HB HIS 18 7.955 -3.310 0.234 158 HB3 HIS 18 1HB HIS 18 8.772 -3.786 1.714 159 HD1 HIS 18 1HD HIS 18 7.604 -2.964 4.006 160 HD2 HIS 18 2HD HIS 18 5.369 -2.499 0.530 161 HE1 HIS 18 1HE HIS 18 5.220 -2.528 4.749 162 HE2 HIS 18 2HE HIS 18 3.842 -2.204 2.637 163 H LEU 19 H LEU 19 8.866 -2.249 -1.189 164 HA LEU 19 HA LEU 19 11.332 -3.388 -1.763 165 HB2 LEU 19 2HB LEU 19 10.338 -3.624 -3.770 166 HB3 LEU 19 1HB LEU 19 8.976 -2.717 -3.119 167 HG LEU 19 HG LEU 19 10.230 -0.598 -3.835 168 HD11 LEU 19 1HD1 LEU 19 12.258 -2.479 -4.399 169 HD12 LEU 19 2HD1 LEU 19 12.253 -0.765 -4.823 170 HD13 LEU 19 3HD1 LEU 19 11.649 -1.958 -5.973 171 HD21 LEU 19 3HD2 LEU 19 8.311 -1.865 -5.069 172 HD22 LEU 19 1HD2 LEU 19 9.581 -2.384 -6.180 173 HD23 LEU 19 2HD2 LEU 19 9.231 -0.670 -5.975 174 H ALA 20 H ALA 20 10.255 -0.109 -1.705 175 HA ALA 20 HA ALA 20 12.542 1.136 -2.832 176 HB1 ALA 20 1HB ALA 20 10.375 2.094 -0.974 177 HB2 ALA 20 2HB ALA 20 10.626 2.508 -2.669 178 HB3 ALA 20 3HB ALA 20 11.713 3.145 -1.434 179 H LEU 21 H LEU 21 11.559 0.710 0.532 180 HA LEU 21 HA LEU 21 13.891 1.656 1.754 181 HB2 LEU 21 2HB LEU 21 11.800 -0.349 2.582 182 HB3 LEU 21 1HB LEU 21 13.184 0.001 3.618 183 HG LEU 21 HG LEU 21 11.603 2.294 2.505 184 HD11 LEU 21 1HD1 LEU 21 9.952 0.665 3.454 185 HD12 LEU 21 2HD1 LEU 21 10.045 2.166 4.375 186 HD13 LEU 21 3HD1 LEU 21 10.842 0.714 4.975 187 HD21 LEU 21 3HD2 LEU 21 13.635 2.788 3.737 188 HD22 LEU 21 1HD2 LEU 21 13.156 1.710 5.047 189 HD23 LEU 21 2HD2 LEU 21 12.269 3.207 4.767 190 H ALA 22 H ALA 22 12.936 -1.605 0.866 191 HA ALA 22 HA ALA 22 15.217 -2.993 1.657 192 HB1 ALA 22 1HB ALA 22 13.524 -3.581 -0.773 193 HB2 ALA 22 2HB ALA 22 13.124 -4.072 0.872 194 HB3 ALA 22 3HB ALA 22 14.558 -4.723 0.080 195 H LEU 23 H LEU 23 14.537 -1.386 -1.404 196 HA LEU 23 HA LEU 23 17.019 -2.106 -2.631 197 HB2 LEU 23 2HB LEU 23 14.659 -0.985 -3.526 198 HB3 LEU 23 1HB LEU 23 15.800 0.356 -3.637 199 HG LEU 23 HG LEU 23 16.496 -2.391 -4.682 200 HD11 LEU 23 1HD1 LEU 23 14.532 -1.896 -5.913 201 HD12 LEU 23 2HD1 LEU 23 15.852 -1.353 -6.948 202 HD13 LEU 23 3HD1 LEU 23 14.927 -0.183 -6.009 203 HD21 LEU 23 3HD2 LEU 23 18.255 -0.594 -4.326 204 HD22 LEU 23 1HD2 LEU 23 17.415 0.365 -5.544 205 HD23 LEU 23 2HD2 LEU 23 18.126 -1.188 -5.981 206 H LYS 24 H LYS 24 15.823 0.977 -1.351 207 HA LYS 24 HA LYS 24 18.263 2.372 -1.585 208 HB2 LYS 24 2HB LYS 24 16.017 2.802 0.389 209 HB3 LYS 24 1HB LYS 24 17.304 3.958 0.042 210 HG2 LYS 24 2HG LYS 24 16.590 4.046 -2.320 211 HG3 LYS 24 1HG LYS 24 15.302 2.894 -1.975 212 HD2 LYS 24 2HD LYS 24 15.602 5.679 -0.812 213 HD3 LYS 24 1HD LYS 24 14.372 5.141 -1.952 214 HE2 LYS 24 2HE LYS 24 13.087 4.735 -0.133 215 HE3 LYS 24 1HE LYS 24 14.103 3.319 0.121 216 HZ1 LYS 24 3HZ LYS 24 15.594 4.737 1.447 217 HZ2 LYS 24 1HZ LYS 24 14.039 4.627 2.107 218 HZ3 LYS 24 2HZ LYS 24 14.504 6.025 1.264 219 H LYS 25 H LYS 25 16.944 0.358 0.963 220 HA LYS 25 HA LYS 25 17.875 -0.521 2.875 221 HB2 LYS 25 2HB LYS 25 19.632 -1.066 0.907 222 HB3 LYS 25 1HB LYS 25 20.655 -0.044 1.912 223 HG2 LYS 25 2HG LYS 25 21.054 -2.131 2.864 224 HG3 LYS 25 1HG LYS 25 19.722 -1.559 3.869 225 HD2 LYS 25 2HD LYS 25 18.142 -2.922 2.779 226 HD3 LYS 25 1HD LYS 25 19.169 -3.132 1.360 227 HE2 LYS 25 2HE LYS 25 19.710 -4.277 4.122 228 HE3 LYS 25 1HE LYS 25 19.146 -5.186 2.721 229 HZ1 LYS 25 3HZ LYS 25 21.302 -5.513 2.331 230 HZ2 LYS 25 1HZ LYS 25 21.797 -4.257 3.355 231 HZ3 LYS 25 2HZ LYS 25 21.321 -3.920 1.760 232 H ALA 26 H ALA 26 20.304 0.086 4.157 233 HA ALA 26 HA ALA 26 20.337 2.960 4.597 234 HB1 ALA 26 1HB ALA 26 18.807 1.234 6.256 235 HB2 ALA 26 2HB ALA 26 19.152 2.946 6.494 236 HB3 ALA 26 3HB ALA 26 20.227 1.732 7.177 Start of MODEL 2 1 H1 LYS 1 1HT LYS 1 -10.743 9.548 -20.977 2 H2 LYS 1 2HT LYS 1 -10.829 11.053 -21.757 3 H3 LYS 1 3HT LYS 1 -12.208 10.392 -21.029 4 HA LYS 1 HA LYS 1 -10.889 12.241 -19.811 5 HB2 LYS 1 2HB LYS 1 -11.556 9.713 -18.273 6 HB3 LYS 1 1HB LYS 1 -11.623 11.374 -17.691 7 HG2 LYS 1 2HG LYS 1 -13.439 11.833 -19.355 8 HG3 LYS 1 1HG LYS 1 -13.429 10.123 -19.785 9 HD2 LYS 1 2HD LYS 1 -14.032 9.487 -17.526 10 HD3 LYS 1 1HD LYS 1 -13.885 11.153 -16.971 11 HE2 LYS 1 2HE LYS 1 -16.259 10.443 -17.381 12 HE3 LYS 1 1HE LYS 1 -15.775 11.840 -18.338 13 HZ1 LYS 1 2HZ LYS 1 -15.580 10.552 -20.255 14 HZ2 LYS 1 3HZ LYS 1 -16.995 9.970 -19.515 15 HZ3 LYS 1 1HZ LYS 1 -15.552 9.089 -19.389 16 H LYS 2 H LYS 2 -9.326 12.220 -17.916 17 HA LYS 2 HA LYS 2 -6.787 11.336 -18.706 18 HB2 LYS 2 2HB LYS 2 -7.791 11.907 -15.902 19 HB3 LYS 2 1HB LYS 2 -6.097 11.823 -16.385 20 HG2 LYS 2 2HG LYS 2 -7.641 13.632 -18.097 21 HG3 LYS 2 1HG LYS 2 -7.700 14.114 -16.401 22 HD2 LYS 2 2HD LYS 2 -5.005 13.318 -17.227 23 HD3 LYS 2 1HD LYS 2 -5.629 14.655 -18.194 24 HE2 LYS 2 2HE LYS 2 -5.372 14.538 -15.174 25 HE3 LYS 2 1HE LYS 2 -4.534 15.624 -16.279 26 HZ1 LYS 2 3HZ LYS 2 -7.212 15.983 -16.800 27 HZ2 LYS 2 1HZ LYS 2 -6.199 17.040 -15.949 28 HZ3 LYS 2 2HZ LYS 2 -7.119 15.889 -15.106 29 H ALA 3 H ALA 3 -5.546 9.550 -18.114 30 HA ALA 3 HA ALA 3 -6.937 7.101 -17.793 31 HB1 ALA 3 1HB ALA 3 -4.059 7.131 -17.120 32 HB2 ALA 3 2HB ALA 3 -4.473 7.769 -18.710 33 HB3 ALA 3 3HB ALA 3 -4.942 6.129 -18.269 34 H LEU 4 H LEU 4 -7.916 8.435 -15.719 35 HA LEU 4 HA LEU 4 -6.594 8.354 -13.261 36 HB2 LEU 4 2HB LEU 4 -9.388 8.488 -14.181 37 HB3 LEU 4 1HB LEU 4 -9.192 7.731 -12.601 38 HG LEU 4 HG LEU 4 -7.869 9.698 -11.847 39 HD11 LEU 4 1HD1 LEU 4 -6.921 10.787 -13.617 40 HD12 LEU 4 2HD1 LEU 4 -8.411 11.728 -13.546 41 HD13 LEU 4 3HD1 LEU 4 -8.262 10.404 -14.702 42 HD21 LEU 4 3HD2 LEU 4 -9.759 11.107 -11.509 43 HD22 LEU 4 1HD2 LEU 4 -10.417 9.482 -11.659 44 HD23 LEU 4 2HD2 LEU 4 -10.511 10.597 -13.021 45 H LEU 5 H LEU 5 -9.000 6.083 -14.416 46 HA LEU 5 HA LEU 5 -8.693 4.059 -12.563 47 HB2 LEU 5 2HB LEU 5 -9.106 3.501 -15.503 48 HB3 LEU 5 1HB LEU 5 -9.714 2.575 -14.130 49 HG LEU 5 HG LEU 5 -10.578 5.354 -14.984 50 HD11 LEU 5 1HD1 LEU 5 -12.838 4.003 -14.873 51 HD12 LEU 5 2HD1 LEU 5 -11.780 2.602 -15.050 52 HD13 LEU 5 3HD1 LEU 5 -11.796 3.862 -16.288 53 HD21 LEU 5 3HD2 LEU 5 -10.715 5.562 -12.678 54 HD22 LEU 5 1HD2 LEU 5 -10.907 3.825 -12.432 55 HD23 LEU 5 2HD2 LEU 5 -12.266 4.791 -13.004 56 H ALA 6 H ALA 6 -7.162 4.305 -15.702 57 HA ALA 6 HA ALA 6 -5.458 2.133 -15.624 58 HB1 ALA 6 1HB ALA 6 -4.188 3.154 -17.330 59 HB2 ALA 6 2HB ALA 6 -4.535 4.775 -16.733 60 HB3 ALA 6 3HB ALA 6 -5.800 3.838 -17.526 61 H LEU 7 H LEU 7 -4.886 5.369 -14.383 62 HA LEU 7 HA LEU 7 -2.274 4.858 -13.376 63 HB2 LEU 7 2HB LEU 7 -4.297 6.995 -13.143 64 HB3 LEU 7 1HB LEU 7 -3.234 6.833 -11.752 65 HG LEU 7 HG LEU 7 -1.271 7.141 -13.108 66 HD11 LEU 7 1HD1 LEU 7 -1.345 6.232 -15.180 67 HD12 LEU 7 2HD1 LEU 7 -2.113 7.736 -15.686 68 HD13 LEU 7 3HD1 LEU 7 -3.102 6.341 -15.257 69 HD21 LEU 7 3HD2 LEU 7 -3.014 9.149 -14.425 70 HD22 LEU 7 1HD2 LEU 7 -1.561 9.384 -13.456 71 HD23 LEU 7 2HD2 LEU 7 -3.105 9.082 -12.664 72 H ALA 8 H ALA 8 -5.328 5.298 -11.704 73 HA ALA 8 HA ALA 8 -4.675 4.528 -9.150 74 HB1 ALA 8 1HB ALA 8 -6.877 4.927 -8.971 75 HB2 ALA 8 2HB ALA 8 -7.170 3.322 -9.643 76 HB3 ALA 8 3HB ALA 8 -7.089 4.724 -10.710 77 H LEU 9 H LEU 9 -5.855 2.455 -11.708 78 HA LEU 9 HA LEU 9 -5.777 -0.022 -10.489 79 HB2 LEU 9 2HB LEU 9 -5.527 0.943 -13.272 80 HB3 LEU 9 1HB LEU 9 -4.909 -0.678 -12.976 81 HG LEU 9 HG LEU 9 -7.632 0.152 -11.965 82 HD11 LEU 9 1HD1 LEU 9 -7.165 -1.243 -14.606 83 HD12 LEU 9 2HD1 LEU 9 -7.333 0.508 -14.502 84 HD13 LEU 9 3HD1 LEU 9 -8.659 -0.538 -13.993 85 HD21 LEU 9 3HD2 LEU 9 -6.356 -1.977 -11.238 86 HD22 LEU 9 1HD2 LEU 9 -6.646 -2.564 -12.872 87 HD23 LEU 9 2HD2 LEU 9 -8.010 -2.194 -11.812 88 H HIS 10 H HIS 10 -3.252 1.101 -12.657 89 HA HIS 10 HA HIS 10 -1.328 -0.776 -11.911 90 HB2 HIS 10 2HB HIS 10 -0.680 0.191 -13.866 91 HB3 HIS 10 1HB HIS 10 -1.350 1.760 -13.425 92 HD1 HIS 10 1HD HIS 10 1.381 -0.338 -11.747 93 HD2 HIS 10 2HD HIS 10 0.806 3.487 -13.326 94 HE1 HIS 10 1HE HIS 10 3.530 0.947 -11.338 95 HE2 HIS 10 2HE HIS 10 3.189 3.285 -12.278 96 H HIS 11 H HIS 11 -1.798 2.539 -10.769 97 HA HIS 11 HA HIS 11 0.460 2.524 -9.047 98 HB2 HIS 11 2HB HIS 11 -1.951 4.301 -9.288 99 HB3 HIS 11 1HB HIS 11 -0.813 4.507 -7.955 100 HD1 HIS 11 1HD HIS 11 1.859 4.048 -9.213 101 HD2 HIS 11 2HD HIS 11 -1.159 6.144 -11.195 102 HE1 HIS 11 1HE HIS 11 3.004 5.459 -10.985 103 HE2 HIS 11 2HE HIS 11 1.181 6.773 -12.186 104 H LEU 12 H LEU 12 -0.630 0.155 -8.462 105 HA LEU 12 HA LEU 12 -2.481 -0.005 -6.376 106 HB2 LEU 12 2HB LEU 12 0.003 -1.701 -6.724 107 HB3 LEU 12 1HB LEU 12 -1.439 -2.141 -5.813 108 HG LEU 12 HG LEU 12 -1.574 -1.446 -8.753 109 HD11 LEU 12 1HD1 LEU 12 -0.016 -3.287 -8.631 110 HD12 LEU 12 2HD1 LEU 12 -1.577 -3.947 -9.118 111 HD13 LEU 12 3HD1 LEU 12 -1.022 -4.129 -7.454 112 HD21 LEU 12 3HD2 LEU 12 -3.345 -2.795 -6.715 113 HD22 LEU 12 1HD2 LEU 12 -3.576 -3.078 -8.443 114 HD23 LEU 12 2HD2 LEU 12 -3.726 -1.449 -7.788 115 H ALA 13 H ALA 13 0.971 0.483 -6.381 116 HA ALA 13 HA ALA 13 2.464 1.308 -4.853 117 HB1 ALA 13 1HB ALA 13 1.690 3.086 -3.390 118 HB2 ALA 13 2HB ALA 13 0.015 2.591 -3.626 119 HB3 ALA 13 3HB ALA 13 0.934 3.255 -4.977 120 H HIS 14 H HIS 14 2.483 1.745 -2.233 121 HA HIS 14 HA HIS 14 2.576 0.810 -0.151 122 HB2 HIS 14 2HB HIS 14 0.150 -0.407 -1.264 123 HB3 HIS 14 1HB HIS 14 0.957 -1.406 -0.058 124 HD1 HIS 14 1HD HIS 14 1.290 -0.341 2.344 125 HD2 HIS 14 2HD HIS 14 -1.051 1.925 -0.263 126 HE1 HIS 14 1HE HIS 14 0.115 1.403 3.763 127 HE2 HIS 14 2HE HIS 14 -1.309 2.802 2.184 128 H LEU 15 H LEU 15 2.692 -1.170 -2.955 129 HA LEU 15 HA LEU 15 4.153 -3.350 -1.717 130 HB2 LEU 15 2HB LEU 15 3.426 -2.653 -4.561 131 HB3 LEU 15 1HB LEU 15 4.380 -4.075 -4.133 132 HG LEU 15 HG LEU 15 1.862 -3.678 -2.597 133 HD11 LEU 15 1HD1 LEU 15 1.096 -3.092 -4.839 134 HD12 LEU 15 2HD1 LEU 15 0.521 -4.711 -4.429 135 HD13 LEU 15 3HD1 LEU 15 1.897 -4.510 -5.514 136 HD21 LEU 15 3HD2 LEU 15 2.599 -6.201 -4.001 137 HD22 LEU 15 1HD2 LEU 15 1.999 -5.960 -2.355 138 HD23 LEU 15 2HD2 LEU 15 3.694 -5.651 -2.735 139 H ALA 16 H ALA 16 4.916 -0.283 -2.795 140 HA ALA 16 HA ALA 16 7.649 -1.034 -3.565 141 HB1 ALA 16 1HB ALA 16 6.014 0.572 -4.915 142 HB2 ALA 16 2HB ALA 16 7.761 0.820 -4.893 143 HB3 ALA 16 3HB ALA 16 6.722 1.770 -3.831 144 H LEU 17 H LEU 17 5.924 1.050 -1.292 145 HA LEU 17 HA LEU 17 7.856 2.613 -0.239 146 HB2 LEU 17 2HB LEU 17 6.770 2.386 1.979 147 HB3 LEU 17 1HB LEU 17 5.629 2.677 0.671 148 HG LEU 17 HG LEU 17 5.645 -0.042 0.687 149 HD11 LEU 17 1HD1 LEU 17 6.013 -0.950 2.795 150 HD12 LEU 17 2HD1 LEU 17 5.620 0.555 3.619 151 HD13 LEU 17 3HD1 LEU 17 7.190 0.361 2.848 152 HD21 LEU 17 3HD2 LEU 17 3.496 0.143 1.608 153 HD22 LEU 17 1HD2 LEU 17 3.772 1.774 0.995 154 HD23 LEU 17 2HD2 LEU 17 3.973 1.430 2.713 155 H HIS 18 H HIS 18 7.284 -0.694 0.730 156 HA HIS 18 HA HIS 18 9.570 -0.854 2.449 157 HB2 HIS 18 2HB HIS 18 9.005 -3.151 2.700 158 HB3 HIS 18 1HB HIS 18 7.491 -2.282 2.501 159 HD1 HIS 18 1HD HIS 18 9.201 -5.146 1.207 160 HD2 HIS 18 2HD HIS 18 6.677 -2.243 -0.413 161 HE1 HIS 18 1HE HIS 18 8.362 -6.063 -0.999 162 HE2 HIS 18 2HE HIS 18 6.834 -4.307 -2.003 163 H LEU 19 H LEU 19 8.840 -1.866 -0.802 164 HA LEU 19 HA LEU 19 11.259 -3.124 -1.451 165 HB2 LEU 19 2HB LEU 19 8.939 -2.684 -2.794 166 HB3 LEU 19 1HB LEU 19 9.971 -1.471 -3.556 167 HG LEU 19 HG LEU 19 10.042 -3.646 -4.753 168 HD11 LEU 19 1HD1 LEU 19 12.306 -3.531 -5.181 169 HD12 LEU 19 2HD1 LEU 19 12.734 -3.386 -3.478 170 HD13 LEU 19 3HD1 LEU 19 12.076 -2.000 -4.345 171 HD21 LEU 19 3HD2 LEU 19 11.680 -4.973 -2.702 172 HD22 LEU 19 1HD2 LEU 19 10.405 -5.630 -3.726 173 HD23 LEU 19 2HD2 LEU 19 9.990 -4.776 -2.239 174 H ALA 20 H ALA 20 10.290 0.179 -1.156 175 HA ALA 20 HA ALA 20 12.469 1.405 -2.498 176 HB1 ALA 20 1HB ALA 20 11.653 3.397 -1.694 177 HB2 ALA 20 2HB ALA 20 11.329 2.737 -0.091 178 HB3 ALA 20 3HB ALA 20 10.224 2.400 -1.423 179 H LEU 21 H LEU 21 11.896 0.836 0.941 180 HA LEU 21 HA LEU 21 14.445 1.564 1.861 181 HB2 LEU 21 2HB LEU 21 12.639 -0.576 3.015 182 HB3 LEU 21 1HB LEU 21 13.919 0.293 3.866 183 HG LEU 21 HG LEU 21 11.834 1.957 2.526 184 HD11 LEU 21 1HD1 LEU 21 10.129 0.842 3.530 185 HD12 LEU 21 2HD1 LEU 21 10.722 1.568 5.021 186 HD13 LEU 21 3HD1 LEU 21 11.219 -0.067 4.578 187 HD21 LEU 21 3HD2 LEU 21 12.304 3.445 4.318 188 HD22 LEU 21 1HD2 LEU 21 13.866 2.734 3.918 189 HD23 LEU 21 2HD2 LEU 21 12.970 2.158 5.322 190 H ALA 22 H ALA 22 13.128 -1.547 0.882 191 HA ALA 22 HA ALA 22 15.446 -3.100 1.288 192 HB1 ALA 22 1HB ALA 22 14.298 -4.399 -0.774 193 HB2 ALA 22 2HB ALA 22 12.940 -3.385 -0.282 194 HB3 ALA 22 3HB ALA 22 13.677 -4.492 0.874 195 H LEU 23 H LEU 23 14.397 -1.067 -1.337 196 HA LEU 23 HA LEU 23 16.524 -1.839 -3.126 197 HB2 LEU 23 2HB LEU 23 14.378 -1.073 -4.025 198 HB3 LEU 23 1HB LEU 23 14.575 0.480 -3.215 199 HG LEU 23 HG LEU 23 16.859 -0.306 -4.923 200 HD11 LEU 23 1HD1 LEU 23 15.713 0.225 -7.032 201 HD12 LEU 23 2HD1 LEU 23 14.186 0.412 -6.173 202 HD13 LEU 23 3HD1 LEU 23 14.956 -1.172 -6.265 203 HD21 LEU 23 3HD2 LEU 23 15.238 2.135 -4.262 204 HD22 LEU 23 1HD2 LEU 23 16.226 2.138 -5.729 205 HD23 LEU 23 2HD2 LEU 23 16.979 1.890 -4.154 206 H LYS 24 H LYS 24 15.960 0.539 -0.677 207 HA LYS 24 HA LYS 24 18.165 2.229 -1.427 208 HB2 LYS 24 2HB LYS 24 15.980 2.740 0.028 209 HB3 LYS 24 1HB LYS 24 17.073 2.308 1.343 210 HG2 LYS 24 2HG LYS 24 18.553 3.989 -0.392 211 HG3 LYS 24 1HG LYS 24 16.975 4.750 -0.207 212 HD2 LYS 24 2HD LYS 24 18.224 5.616 1.601 213 HD3 LYS 24 1HD LYS 24 17.273 4.322 2.328 214 HE2 LYS 24 2HE LYS 24 19.821 4.451 2.875 215 HE3 LYS 24 1HE LYS 24 19.126 2.880 2.487 216 HZ1 LYS 24 3HZ LYS 24 20.330 4.599 0.398 217 HZ2 LYS 24 1HZ LYS 24 20.025 2.928 0.351 218 HZ3 LYS 24 2HZ LYS 24 21.278 3.531 1.331 219 H LYS 25 H LYS 25 17.632 -0.434 0.778 220 HA LYS 25 HA LYS 25 19.065 -1.617 2.142 221 HB2 LYS 25 2HB LYS 25 21.208 -0.634 0.231 222 HB3 LYS 25 1HB LYS 25 21.275 -2.064 1.256 223 HG2 LYS 25 2HG LYS 25 20.242 -3.289 -0.322 224 HG3 LYS 25 1HG LYS 25 18.878 -2.174 -0.320 225 HD2 LYS 25 2HD LYS 25 19.497 -1.668 -2.439 226 HD3 LYS 25 1HD LYS 25 20.811 -0.756 -1.702 227 HE2 LYS 25 2HE LYS 25 21.758 -2.266 -3.358 228 HE3 LYS 25 1HE LYS 25 22.209 -2.848 -1.755 229 HZ1 LYS 25 3HZ LYS 25 21.417 -4.766 -2.619 230 HZ2 LYS 25 1HZ LYS 25 20.369 -3.996 -3.703 231 HZ3 LYS 25 2HZ LYS 25 19.936 -4.145 -2.071 232 H ALA 26 H ALA 26 22.028 -0.247 1.860 233 HA ALA 26 HA ALA 26 21.753 1.171 4.391 234 HB1 ALA 26 1HB ALA 26 24.378 1.447 3.679 235 HB2 ALA 26 2HB ALA 26 23.953 -0.067 2.881 236 HB3 ALA 26 3HB ALA 26 23.731 0.100 4.622 Start of MODEL 3 1 H1 LYS 1 1HT LYS 1 14.112 11.734 12.661 2 H2 LYS 1 2HT LYS 1 14.678 10.423 13.573 3 H3 LYS 1 3HT LYS 1 13.020 10.592 13.268 4 HA LYS 1 HA LYS 1 14.455 8.931 11.884 5 HB2 LYS 1 2HB LYS 1 12.456 10.847 10.641 6 HB3 LYS 1 1HB LYS 1 12.890 9.267 10.001 7 HG2 LYS 1 2HG LYS 1 11.594 9.773 12.705 8 HG3 LYS 1 1HG LYS 1 10.761 9.177 11.272 9 HD2 LYS 1 2HD LYS 1 12.722 7.354 11.355 10 HD3 LYS 1 1HD LYS 1 12.698 7.772 13.067 11 HE2 LYS 1 2HE LYS 1 10.601 6.428 11.413 12 HE3 LYS 1 1HE LYS 1 11.101 6.103 13.072 13 HZ1 LYS 1 2HZ LYS 1 10.104 8.502 13.409 14 HZ2 LYS 1 3HZ LYS 1 9.132 7.115 13.471 15 HZ3 LYS 1 1HZ LYS 1 9.179 8.048 12.058 16 H LYS 2 H LYS 2 15.057 9.107 9.406 17 HA LYS 2 HA LYS 2 16.555 11.581 8.857 18 HB2 LYS 2 2HB LYS 2 17.726 8.796 8.998 19 HB3 LYS 2 1HB LYS 2 18.487 10.087 8.066 20 HG2 LYS 2 2HG LYS 2 17.709 10.696 10.886 21 HG3 LYS 2 1HG LYS 2 19.107 9.659 10.635 22 HD2 LYS 2 2HD LYS 2 19.527 11.697 8.799 23 HD3 LYS 2 1HD LYS 2 18.813 12.545 10.171 24 HE2 LYS 2 2HE LYS 2 21.280 12.432 10.361 25 HE3 LYS 2 1HE LYS 2 20.492 11.565 11.679 26 HZ1 LYS 2 3HZ LYS 2 21.109 10.034 9.275 27 HZ2 LYS 2 1HZ LYS 2 21.184 9.573 10.908 28 HZ3 LYS 2 2HZ LYS 2 22.425 10.515 10.240 29 H ALA 3 H ALA 3 17.664 9.242 6.827 30 HA ALA 3 HA ALA 3 16.648 10.181 4.472 31 HB1 ALA 3 1HB ALA 3 17.033 7.831 3.573 32 HB2 ALA 3 2HB ALA 3 17.444 7.369 5.226 33 HB3 ALA 3 3HB ALA 3 18.410 8.583 4.382 34 H LEU 4 H LEU 4 15.017 8.230 6.801 35 HA LEU 4 HA LEU 4 13.034 6.926 5.470 36 HB2 LEU 4 2HB LEU 4 12.768 6.654 7.732 37 HB3 LEU 4 1HB LEU 4 13.189 8.327 8.085 38 HG LEU 4 HG LEU 4 10.634 7.805 6.615 39 HD11 LEU 4 1HD1 LEU 4 9.446 7.241 8.569 40 HD12 LEU 4 2HD1 LEU 4 10.816 7.624 9.610 41 HD13 LEU 4 3HD1 LEU 4 10.860 6.189 8.584 42 HD21 LEU 4 3HD2 LEU 4 11.930 9.975 8.009 43 HD22 LEU 4 1HD2 LEU 4 10.392 9.612 8.795 44 HD23 LEU 4 2HD2 LEU 4 10.434 10.004 7.076 45 H LEU 5 H LEU 5 13.239 10.342 6.175 46 HA LEU 5 HA LEU 5 10.811 11.314 5.371 47 HB2 LEU 5 2HB LEU 5 12.495 12.831 6.202 48 HB3 LEU 5 1HB LEU 5 13.559 12.460 4.847 49 HG LEU 5 HG LEU 5 11.938 13.452 3.279 50 HD11 LEU 5 1HD1 LEU 5 10.010 14.751 4.266 51 HD12 LEU 5 2HD1 LEU 5 10.333 13.945 5.803 52 HD13 LEU 5 3HD1 LEU 5 9.851 13.001 4.388 53 HD21 LEU 5 3HD2 LEU 5 13.131 15.323 3.680 54 HD22 LEU 5 1HD2 LEU 5 13.349 14.879 5.372 55 HD23 LEU 5 2HD2 LEU 5 11.918 15.783 4.875 56 H ALA 6 H ALA 6 13.579 10.617 3.299 57 HA ALA 6 HA ALA 6 12.304 11.242 0.848 58 HB1 ALA 6 1HB ALA 6 14.601 11.094 0.578 59 HB2 ALA 6 2HB ALA 6 14.106 9.512 -0.030 60 HB3 ALA 6 3HB ALA 6 14.731 9.669 1.611 61 H LEU 7 H LEU 7 12.668 8.255 2.641 62 HA LEU 7 HA LEU 7 11.438 6.527 0.798 63 HB2 LEU 7 2HB LEU 7 12.643 5.485 2.539 64 HB3 LEU 7 1HB LEU 7 11.846 6.443 3.782 65 HG LEU 7 HG LEU 7 9.690 5.275 3.242 66 HD11 LEU 7 1HD1 LEU 7 11.517 3.960 1.256 67 HD12 LEU 7 2HD1 LEU 7 9.849 4.497 1.055 68 HD13 LEU 7 3HD1 LEU 7 10.197 3.018 1.952 69 HD21 LEU 7 3HD2 LEU 7 10.794 4.353 5.107 70 HD22 LEU 7 1HD2 LEU 7 12.131 3.741 4.135 71 HD23 LEU 7 2HD2 LEU 7 10.555 2.950 4.063 72 H ALA 8 H ALA 8 10.197 8.399 3.482 73 HA ALA 8 HA ALA 8 7.476 7.582 3.233 74 HB1 ALA 8 1HB ALA 8 8.453 8.517 5.309 75 HB2 ALA 8 2HB ALA 8 7.016 9.398 4.788 76 HB3 ALA 8 3HB ALA 8 8.620 10.075 4.497 77 H LEU 9 H LEU 9 9.195 10.511 2.421 78 HA LEU 9 HA LEU 9 7.290 12.114 1.351 79 HB2 LEU 9 2HB LEU 9 9.624 12.783 1.559 80 HB3 LEU 9 1HB LEU 9 10.074 11.678 0.262 81 HG LEU 9 HG LEU 9 8.474 12.959 -1.244 82 HD11 LEU 9 1HD1 LEU 9 7.030 14.228 0.009 83 HD12 LEU 9 2HD1 LEU 9 8.303 15.433 -0.181 84 HD13 LEU 9 3HD1 LEU 9 8.207 14.480 1.302 85 HD21 LEU 9 3HD2 LEU 9 10.972 13.304 -1.176 86 HD22 LEU 9 1HD2 LEU 9 10.703 14.627 -0.043 87 HD23 LEU 9 2HD2 LEU 9 10.063 14.729 -1.683 88 H HIS 10 H HIS 10 9.316 10.256 -0.875 89 HA HIS 10 HA HIS 10 7.334 10.485 -2.942 90 HB2 HIS 10 2HB HIS 10 9.554 10.666 -3.690 91 HB3 HIS 10 1HB HIS 10 10.053 9.212 -2.827 92 HD1 HIS 10 1HD HIS 10 7.197 9.865 -5.285 93 HD2 HIS 10 2HD HIS 10 10.414 7.260 -4.738 94 HE1 HIS 10 1HE HIS 10 7.078 8.173 -7.166 95 HE2 HIS 10 2HE HIS 10 9.040 6.583 -6.858 96 H HIS 11 H HIS 11 9.032 7.553 -1.975 97 HA HIS 11 HA HIS 11 7.351 5.730 -3.127 98 HB2 HIS 11 2HB HIS 11 8.768 5.272 -0.505 99 HB3 HIS 11 1HB HIS 11 8.326 4.059 -1.706 100 HD1 HIS 11 1HD HIS 11 9.743 3.935 -3.877 101 HD2 HIS 11 2HD HIS 11 11.035 6.858 -1.191 102 HE1 HIS 11 1HE HIS 11 12.036 4.673 -4.668 103 HE2 HIS 11 2HE HIS 11 12.815 6.500 -3.073 104 H LEU 12 H LEU 12 5.173 6.487 -2.841 105 HA LEU 12 HA LEU 12 3.990 6.310 -0.177 106 HB2 LEU 12 2HB LEU 12 2.806 6.905 -2.899 107 HB3 LEU 12 1HB LEU 12 1.870 6.862 -1.407 108 HG LEU 12 HG LEU 12 4.126 8.756 -2.104 109 HD11 LEU 12 1HD1 LEU 12 1.771 9.175 -2.934 110 HD12 LEU 12 2HD1 LEU 12 2.439 10.448 -1.913 111 HD13 LEU 12 3HD1 LEU 12 1.278 9.301 -1.245 112 HD21 LEU 12 3HD2 LEU 12 4.574 8.427 0.149 113 HD22 LEU 12 1HD2 LEU 12 2.901 8.005 0.527 114 HD23 LEU 12 2HD2 LEU 12 3.345 9.687 0.248 115 H ALA 13 H ALA 13 3.717 4.752 -3.298 116 HA ALA 13 HA ALA 13 1.764 2.916 -2.978 117 HB1 ALA 13 1HB ALA 13 4.232 2.982 -4.533 118 HB2 ALA 13 2HB ALA 13 2.606 2.488 -5.000 119 HB3 ALA 13 3HB ALA 13 3.670 1.348 -4.181 120 H HIS 14 H HIS 14 1.402 1.015 -2.055 121 HA HIS 14 HA HIS 14 2.720 0.336 0.359 122 HB2 HIS 14 2HB HIS 14 0.838 -1.367 -1.280 123 HB3 HIS 14 1HB HIS 14 1.212 -1.563 0.429 124 HD1 HIS 14 1HD HIS 14 -0.352 -0.421 2.002 125 HD2 HIS 14 2HD HIS 14 -0.417 1.347 -1.780 126 HE1 HIS 14 1HE HIS 14 -2.142 1.377 2.064 127 HE2 HIS 14 2HE HIS 14 -2.181 2.462 -0.223 128 H LEU 15 H LEU 15 2.535 -1.322 -2.740 129 HA LEU 15 HA LEU 15 4.371 -3.387 -2.023 130 HB2 LEU 15 2HB LEU 15 3.029 -2.477 -4.531 131 HB3 LEU 15 1HB LEU 15 4.375 -3.610 -4.636 132 HG LEU 15 HG LEU 15 2.092 -4.112 -2.722 133 HD11 LEU 15 1HD1 LEU 15 2.250 -4.886 -5.650 134 HD12 LEU 15 2HD1 LEU 15 1.037 -3.842 -4.908 135 HD13 LEU 15 3HD1 LEU 15 1.094 -5.559 -4.504 136 HD21 LEU 15 3HD2 LEU 15 2.836 -6.450 -3.004 137 HD22 LEU 15 1HD2 LEU 15 4.192 -5.435 -2.510 138 HD23 LEU 15 2HD2 LEU 15 4.030 -5.937 -4.194 139 H ALA 16 H ALA 16 4.819 -0.203 -2.660 140 HA ALA 16 HA ALA 16 7.440 -0.610 -3.909 141 HB1 ALA 16 1HB ALA 16 5.964 1.997 -3.585 142 HB2 ALA 16 2HB ALA 16 5.779 0.942 -4.987 143 HB3 ALA 16 3HB ALA 16 7.345 1.666 -4.629 144 H LEU 17 H LEU 17 5.959 1.356 -1.350 145 HA LEU 17 HA LEU 17 8.137 2.594 -0.306 146 HB2 LEU 17 2HB LEU 17 7.004 2.719 1.809 147 HB3 LEU 17 1HB LEU 17 5.823 2.860 0.515 148 HG LEU 17 HG LEU 17 5.675 0.213 0.865 149 HD11 LEU 17 1HD1 LEU 17 5.932 0.930 3.729 150 HD12 LEU 17 2HD1 LEU 17 7.460 0.792 2.860 151 HD13 LEU 17 3HD1 LEU 17 6.343 -0.574 2.909 152 HD21 LEU 17 3HD2 LEU 17 3.887 2.010 1.118 153 HD22 LEU 17 1HD2 LEU 17 4.353 2.109 2.817 154 HD23 LEU 17 2HD2 LEU 17 3.701 0.608 2.170 155 H HIS 18 H HIS 18 7.067 -0.604 0.627 156 HA HIS 18 HA HIS 18 9.168 -1.147 2.435 157 HB2 HIS 18 2HB HIS 18 8.397 -3.391 2.404 158 HB3 HIS 18 1HB HIS 18 6.991 -2.376 2.125 159 HD1 HIS 18 1HD HIS 18 8.562 -5.276 0.760 160 HD2 HIS 18 2HD HIS 18 6.574 -1.971 -0.838 161 HE1 HIS 18 1HE HIS 18 7.886 -5.919 -1.600 162 HE2 HIS 18 2HE HIS 18 6.694 -3.904 -2.603 163 H LEU 19 H LEU 19 8.759 -1.888 -0.952 164 HA LEU 19 HA LEU 19 11.231 -3.236 -1.304 165 HB2 LEU 19 2HB LEU 19 9.348 -3.431 -2.905 166 HB3 LEU 19 1HB LEU 19 9.563 -1.736 -3.344 167 HG LEU 19 HG LEU 19 12.119 -3.013 -3.523 168 HD11 LEU 19 1HD1 LEU 19 11.686 -4.726 -5.197 169 HD12 LEU 19 2HD1 LEU 19 9.951 -4.423 -5.100 170 HD13 LEU 19 3HD1 LEU 19 10.800 -5.116 -3.722 171 HD21 LEU 19 3HD2 LEU 19 12.024 -2.210 -5.798 172 HD22 LEU 19 1HD2 LEU 19 11.206 -1.019 -4.792 173 HD23 LEU 19 2HD2 LEU 19 10.263 -2.150 -5.763 174 H ALA 20 H ALA 20 10.176 0.061 -1.342 175 HA ALA 20 HA ALA 20 12.407 1.272 -2.575 176 HB1 ALA 20 1HB ALA 20 10.173 2.348 -1.888 177 HB2 ALA 20 2HB ALA 20 11.631 3.320 -1.694 178 HB3 ALA 20 3HB ALA 20 10.903 2.533 -0.296 179 H LEU 21 H LEU 21 11.721 0.677 0.829 180 HA LEU 21 HA LEU 21 14.144 1.649 1.857 181 HB2 LEU 21 2HB LEU 21 12.171 1.088 3.266 182 HB3 LEU 21 1HB LEU 21 12.463 -0.624 2.947 183 HG LEU 21 HG LEU 21 14.746 -0.376 3.948 184 HD11 LEU 21 1HD1 LEU 21 13.800 2.451 4.157 185 HD12 LEU 21 2HD1 LEU 21 15.415 1.827 3.813 186 HD13 LEU 21 3HD1 LEU 21 14.799 1.819 5.466 187 HD21 LEU 21 3HD2 LEU 21 12.512 -0.912 5.240 188 HD22 LEU 21 1HD2 LEU 21 12.780 0.670 5.971 189 HD23 LEU 21 2HD2 LEU 21 13.990 -0.599 6.144 190 H ALA 22 H ALA 22 13.174 -1.637 1.032 191 HA ALA 22 HA ALA 22 15.592 -2.934 1.520 192 HB1 ALA 22 1HB ALA 22 13.178 -3.490 -0.093 193 HB2 ALA 22 2HB ALA 22 14.022 -4.518 1.065 194 HB3 ALA 22 3HB ALA 22 14.636 -4.357 -0.583 195 H LEU 23 H LEU 23 14.443 -1.267 -1.351 196 HA LEU 23 HA LEU 23 16.594 -1.901 -3.055 197 HB2 LEU 23 2HB LEU 23 14.256 -0.509 -3.352 198 HB3 LEU 23 1HB LEU 23 15.442 0.794 -3.380 199 HG LEU 23 HG LEU 23 15.082 -0.002 -5.647 200 HD11 LEU 23 1HD1 LEU 23 17.420 0.585 -4.853 201 HD12 LEU 23 2HD1 LEU 23 17.360 -0.463 -6.275 202 HD13 LEU 23 3HD1 LEU 23 17.717 -1.143 -4.686 203 HD21 LEU 23 3HD2 LEU 23 16.207 -2.626 -5.557 204 HD22 LEU 23 1HD2 LEU 23 14.566 -2.161 -6.020 205 HD23 LEU 23 2HD2 LEU 23 14.931 -2.555 -4.342 206 H LYS 24 H LYS 24 15.996 1.010 -1.135 207 HA LYS 24 HA LYS 24 18.508 2.193 -1.599 208 HB2 LYS 24 2HB LYS 24 16.194 2.761 0.007 209 HB3 LYS 24 1HB LYS 24 17.645 2.962 0.986 210 HG2 LYS 24 2HG LYS 24 17.250 4.207 -1.754 211 HG3 LYS 24 1HG LYS 24 16.987 5.053 -0.235 212 HD2 LYS 24 2HD LYS 24 19.626 3.729 -0.929 213 HD3 LYS 24 1HD LYS 24 19.273 5.411 -1.319 214 HE2 LYS 24 2HE LYS 24 19.256 4.184 1.459 215 HE3 LYS 24 1HE LYS 24 20.476 5.275 0.812 216 HZ1 LYS 24 3HZ LYS 24 18.712 6.949 0.525 217 HZ2 LYS 24 1HZ LYS 24 18.947 6.509 2.143 218 HZ3 LYS 24 2HZ LYS 24 17.615 5.903 1.288 219 H LYS 25 H LYS 25 17.325 0.405 1.212 220 HA LYS 25 HA LYS 25 19.594 -1.188 1.582 221 HB2 LYS 25 2HB LYS 25 20.583 -0.070 3.601 222 HB3 LYS 25 1HB LYS 25 20.873 0.792 2.097 223 HG2 LYS 25 2HG LYS 25 19.594 2.572 2.708 224 HG3 LYS 25 1HG LYS 25 18.384 1.573 3.501 225 HD2 LYS 25 2HD LYS 25 21.084 2.387 4.616 226 HD3 LYS 25 1HD LYS 25 19.506 2.943 5.165 227 HE2 LYS 25 2HE LYS 25 20.715 0.182 5.464 228 HE3 LYS 25 1HE LYS 25 20.156 1.271 6.726 229 HZ1 LYS 25 3HZ LYS 25 18.177 0.436 4.744 230 HZ2 LYS 25 1HZ LYS 25 18.007 0.704 6.410 231 HZ3 LYS 25 2HZ LYS 25 18.701 -0.745 5.852 232 H ALA 26 H ALA 26 18.935 -2.819 2.850 233 HA ALA 26 HA ALA 26 16.478 -2.497 4.388 234 HB1 ALA 26 1HB ALA 26 16.593 -4.936 4.651 235 HB2 ALA 26 2HB ALA 26 18.187 -4.950 3.895 236 HB3 ALA 26 3HB ALA 26 16.768 -4.483 2.954 Start of MODEL 4 1 H1 LYS 1 1HT LYS 1 19.981 17.043 -6.924 2 H2 LYS 1 2HT LYS 1 20.804 17.901 -5.713 3 H3 LYS 1 3HT LYS 1 19.296 18.445 -6.268 4 HA LYS 1 HA LYS 1 19.646 16.983 -4.057 5 HB2 LYS 1 2HB LYS 1 17.264 17.022 -5.939 6 HB3 LYS 1 1HB LYS 1 17.204 16.485 -4.261 7 HG2 LYS 1 2HG LYS 1 18.180 19.244 -5.066 8 HG3 LYS 1 1HG LYS 1 16.498 18.907 -4.657 9 HD2 LYS 1 2HD LYS 1 17.340 17.949 -2.455 10 HD3 LYS 1 1HD LYS 1 18.924 18.609 -2.872 11 HE2 LYS 1 2HE LYS 1 17.920 20.300 -1.561 12 HE3 LYS 1 1HE LYS 1 17.698 20.850 -3.220 13 HZ1 LYS 1 2HZ LYS 1 15.732 19.765 -1.339 14 HZ2 LYS 1 3HZ LYS 1 15.503 19.482 -2.995 15 HZ3 LYS 1 1HZ LYS 1 15.596 21.069 -2.419 16 H LYS 2 H LYS 2 19.876 14.879 -3.486 17 HA LYS 2 HA LYS 2 20.185 12.911 -5.633 18 HB2 LYS 2 2HB LYS 2 20.700 12.633 -2.657 19 HB3 LYS 2 1HB LYS 2 21.195 11.506 -3.920 20 HG2 LYS 2 2HG LYS 2 22.566 13.350 -4.948 21 HG3 LYS 2 1HG LYS 2 22.155 14.361 -3.560 22 HD2 LYS 2 2HD LYS 2 24.140 13.469 -2.783 23 HD3 LYS 2 1HD LYS 2 23.033 12.225 -2.213 24 HE2 LYS 2 2HE LYS 2 24.999 11.256 -3.398 25 HE3 LYS 2 1HE LYS 2 23.477 10.866 -4.197 26 HZ1 LYS 2 3HZ LYS 2 24.993 13.262 -4.992 27 HZ2 LYS 2 1HZ LYS 2 23.874 12.357 -5.892 28 HZ3 LYS 2 2HZ LYS 2 25.426 11.737 -5.600 29 H ALA 3 H ALA 3 18.272 13.478 -2.703 30 HA ALA 3 HA ALA 3 16.828 11.022 -2.861 31 HB1 ALA 3 1HB ALA 3 15.726 11.733 -0.967 32 HB2 ALA 3 2HB ALA 3 15.666 13.412 -1.497 33 HB3 ALA 3 3HB ALA 3 17.170 12.743 -0.873 34 H LEU 4 H LEU 4 16.427 11.309 -5.262 35 HA LEU 4 HA LEU 4 13.954 12.877 -5.716 36 HB2 LEU 4 2HB LEU 4 16.244 12.144 -7.523 37 HB3 LEU 4 1HB LEU 4 14.659 12.534 -8.193 38 HG LEU 4 HG LEU 4 15.981 14.366 -6.194 39 HD11 LEU 4 1HD1 LEU 4 16.904 15.642 -8.082 40 HD12 LEU 4 2HD1 LEU 4 16.320 14.414 -9.208 41 HD13 LEU 4 3HD1 LEU 4 17.582 14.014 -8.040 42 HD21 LEU 4 3HD2 LEU 4 13.608 14.715 -6.702 43 HD22 LEU 4 1HD2 LEU 4 13.971 14.757 -8.429 44 HD23 LEU 4 2HD2 LEU 4 14.575 16.033 -7.368 45 H LEU 5 H LEU 5 15.344 10.348 -7.676 46 HA LEU 5 HA LEU 5 13.008 9.023 -8.306 47 HB2 LEU 5 2HB LEU 5 14.676 6.965 -8.474 48 HB3 LEU 5 1HB LEU 5 14.747 8.296 -9.622 49 HG LEU 5 HG LEU 5 16.317 8.741 -7.158 50 HD11 LEU 5 1HD1 LEU 5 18.184 7.259 -8.102 51 HD12 LEU 5 2HD1 LEU 5 16.922 6.452 -9.031 52 HD13 LEU 5 3HD1 LEU 5 16.864 6.440 -7.269 53 HD21 LEU 5 3HD2 LEU 5 16.806 10.321 -8.771 54 HD22 LEU 5 1HD2 LEU 5 16.508 9.206 -10.103 55 HD23 LEU 5 2HD2 LEU 5 18.019 9.115 -9.198 56 H ALA 6 H ALA 6 15.289 8.269 -5.730 57 HA ALA 6 HA ALA 6 14.169 6.011 -4.649 58 HB1 ALA 6 1HB ALA 6 15.275 8.315 -3.036 59 HB2 ALA 6 2HB ALA 6 16.263 7.094 -3.842 60 HB3 ALA 6 3HB ALA 6 15.180 6.627 -2.534 61 H LEU 7 H LEU 7 13.256 9.346 -4.061 62 HA LEU 7 HA LEU 7 11.212 8.825 -2.162 63 HB2 LEU 7 2HB LEU 7 12.030 11.121 -3.862 64 HB3 LEU 7 1HB LEU 7 10.374 11.130 -3.262 65 HG LEU 7 HG LEU 7 11.163 10.895 -0.966 66 HD11 LEU 7 1HD1 LEU 7 13.883 10.764 -2.291 67 HD12 LEU 7 2HD1 LEU 7 13.145 9.573 -1.222 68 HD13 LEU 7 3HD1 LEU 7 13.671 11.125 -0.579 69 HD21 LEU 7 3HD2 LEU 7 12.424 13.073 -2.640 70 HD22 LEU 7 1HD2 LEU 7 12.519 13.066 -0.879 71 HD23 LEU 7 2HD2 LEU 7 10.948 13.148 -1.675 72 H ALA 8 H ALA 8 10.980 9.812 -5.526 73 HA ALA 8 HA ALA 8 8.316 9.463 -6.043 74 HB1 ALA 8 1HB ALA 8 8.952 9.760 -8.194 75 HB2 ALA 8 2HB ALA 8 9.933 8.294 -8.169 76 HB3 ALA 8 3HB ALA 8 10.607 9.813 -7.587 77 H LEU 9 H LEU 9 10.842 7.063 -6.355 78 HA LEU 9 HA LEU 9 9.251 4.827 -6.957 79 HB2 LEU 9 2HB LEU 9 11.676 4.781 -7.229 80 HB3 LEU 9 1HB LEU 9 11.897 4.973 -5.490 81 HG LEU 9 HG LEU 9 10.460 2.809 -5.294 82 HD11 LEU 9 1HD1 LEU 9 11.532 2.325 -8.067 83 HD12 LEU 9 2HD1 LEU 9 9.920 2.993 -7.821 84 HD13 LEU 9 3HD1 LEU 9 10.321 1.401 -7.179 85 HD21 LEU 9 3HD2 LEU 9 13.016 3.138 -4.989 86 HD22 LEU 9 1HD2 LEU 9 13.155 2.402 -6.584 87 HD23 LEU 9 2HD2 LEU 9 12.420 1.500 -5.255 88 H HIS 10 H HIS 10 10.771 5.544 -3.850 89 HA HIS 10 HA HIS 10 9.456 3.701 -2.272 90 HB2 HIS 10 2HB HIS 10 11.324 5.087 -1.476 91 HB3 HIS 10 1HB HIS 10 10.281 6.507 -1.501 92 HD1 HIS 10 1HD HIS 10 10.784 3.239 0.333 93 HD2 HIS 10 2HD HIS 10 8.486 6.705 0.660 94 HE1 HIS 10 1HE HIS 10 9.697 3.166 2.619 95 HE2 HIS 10 2HE HIS 10 8.289 5.269 2.831 96 H HIS 11 H HIS 11 8.312 6.792 -3.435 97 HA HIS 11 HA HIS 11 5.851 6.535 -1.862 98 HB2 HIS 11 2HB HIS 11 6.918 8.763 -3.596 99 HB3 HIS 11 1HB HIS 11 5.328 8.794 -2.828 100 HD1 HIS 11 1HD HIS 11 5.602 8.028 -0.066 101 HD2 HIS 11 2HD HIS 11 8.737 10.026 -1.967 102 HE1 HIS 11 1HE HIS 11 7.044 9.020 1.775 103 HE2 HIS 11 2HE HIS 11 8.961 10.254 0.629 104 H LEU 12 H LEU 12 6.683 4.973 -4.480 105 HA LEU 12 HA LEU 12 4.712 5.701 -6.419 106 HB2 LEU 12 2HB LEU 12 6.610 3.486 -6.043 107 HB3 LEU 12 1HB LEU 12 5.104 3.004 -6.817 108 HG LEU 12 HG LEU 12 6.838 5.326 -7.712 109 HD11 LEU 12 1HD1 LEU 12 6.435 2.740 -9.208 110 HD12 LEU 12 2HD1 LEU 12 7.716 2.902 -8.005 111 HD13 LEU 12 3HD1 LEU 12 7.695 3.958 -9.417 112 HD21 LEU 12 3HD2 LEU 12 5.149 4.482 -9.782 113 HD22 LEU 12 1HD2 LEU 12 4.961 5.940 -8.816 114 HD23 LEU 12 2HD2 LEU 12 4.124 4.460 -8.345 115 H ALA 13 H ALA 13 4.893 2.949 -4.217 116 HA ALA 13 HA ALA 13 2.139 3.216 -3.414 117 HB1 ALA 13 1HB ALA 13 1.761 0.714 -4.164 118 HB2 ALA 13 2HB ALA 13 2.965 1.116 -5.387 119 HB3 ALA 13 3HB ALA 13 1.460 2.033 -5.295 120 H HIS 14 H HIS 14 1.589 1.674 -1.725 121 HA HIS 14 HA HIS 14 3.620 1.272 0.143 122 HB2 HIS 14 2HB HIS 14 1.963 0.473 1.462 123 HB3 HIS 14 1HB HIS 14 0.914 1.012 0.157 124 HD1 HIS 14 1HD HIS 14 2.647 -2.119 1.421 125 HD2 HIS 14 2HD HIS 14 -0.404 -1.021 -1.200 126 HE1 HIS 14 1HE HIS 14 1.526 -4.270 0.685 127 HE2 HIS 14 2HE HIS 14 -0.336 -3.616 -0.919 128 H LEU 15 H LEU 15 2.504 -0.698 -2.464 129 HA LEU 15 HA LEU 15 3.777 -3.150 -1.775 130 HB2 LEU 15 2HB LEU 15 2.682 -1.920 -4.288 131 HB3 LEU 15 1HB LEU 15 3.653 -3.388 -4.395 132 HG LEU 15 HG LEU 15 1.244 -3.115 -2.573 133 HD11 LEU 15 1HD1 LEU 15 -0.040 -4.297 -4.243 134 HD12 LEU 15 2HD1 LEU 15 1.387 -4.517 -5.254 135 HD13 LEU 15 3HD1 LEU 15 0.705 -2.907 -5.040 136 HD21 LEU 15 3HD2 LEU 15 1.530 -5.751 -3.066 137 HD22 LEU 15 1HD2 LEU 15 2.354 -4.948 -1.733 138 HD23 LEU 15 2HD2 LEU 15 3.211 -5.255 -3.244 139 H ALA 16 H ALA 16 4.915 -0.148 -2.629 140 HA ALA 16 HA ALA 16 7.444 -1.259 -3.644 141 HB1 ALA 16 1HB ALA 16 6.791 1.629 -3.982 142 HB2 ALA 16 2HB ALA 16 5.936 0.461 -4.994 143 HB3 ALA 16 3HB ALA 16 7.697 0.548 -5.043 144 H LEU 17 H LEU 17 6.002 1.084 -1.488 145 HA LEU 17 HA LEU 17 8.045 2.483 -0.450 146 HB2 LEU 17 2HB LEU 17 6.688 2.929 1.325 147 HB3 LEU 17 1HB LEU 17 5.507 2.143 0.290 148 HG LEU 17 HG LEU 17 6.243 -0.053 1.511 149 HD11 LEU 17 1HD1 LEU 17 7.507 0.111 3.409 150 HD12 LEU 17 2HD1 LEU 17 6.757 1.631 3.886 151 HD13 LEU 17 3HD1 LEU 17 8.060 1.628 2.700 152 HD21 LEU 17 3HD2 LEU 17 4.114 0.338 2.168 153 HD22 LEU 17 1HD2 LEU 17 4.366 2.085 2.218 154 HD23 LEU 17 2HD2 LEU 17 4.807 1.088 3.603 155 H HIS 18 H HIS 18 7.240 -0.792 0.425 156 HA HIS 18 HA HIS 18 9.430 -1.133 2.252 157 HB2 HIS 18 2HB HIS 18 8.703 -3.400 2.425 158 HB3 HIS 18 1HB HIS 18 7.260 -2.412 2.244 159 HD1 HIS 18 1HD HIS 18 9.046 -5.209 0.701 160 HD2 HIS 18 2HD HIS 18 6.230 -2.380 -0.510 161 HE1 HIS 18 1HE HIS 18 8.028 -6.082 -1.448 162 HE2 HIS 18 2HE HIS 18 6.308 -4.371 -2.201 163 H LEU 19 H LEU 19 8.717 -2.245 -0.996 164 HA LEU 19 HA LEU 19 11.124 -3.604 -1.489 165 HB2 LEU 19 2HB LEU 19 8.936 -3.454 -2.924 166 HB3 LEU 19 1HB LEU 19 9.709 -2.051 -3.651 167 HG LEU 19 HG LEU 19 10.041 -4.392 -4.763 168 HD11 LEU 19 1HD1 LEU 19 12.708 -3.581 -4.762 169 HD12 LEU 19 2HD1 LEU 19 11.810 -2.104 -4.426 170 HD13 LEU 19 3HD1 LEU 19 11.454 -3.040 -5.874 171 HD21 LEU 19 3HD2 LEU 19 11.675 -5.824 -3.868 172 HD22 LEU 19 1HD2 LEU 19 10.763 -5.333 -2.442 173 HD23 LEU 19 2HD2 LEU 19 12.317 -4.579 -2.797 174 H ALA 20 H ALA 20 10.259 -0.276 -1.437 175 HA ALA 20 HA ALA 20 12.591 0.739 -2.772 176 HB1 ALA 20 1HB ALA 20 10.335 1.895 -1.221 177 HB2 ALA 20 2HB ALA 20 10.974 2.361 -2.794 178 HB3 ALA 20 3HB ALA 20 11.812 2.850 -1.323 179 H LEU 21 H LEU 21 11.616 0.431 0.611 180 HA LEU 21 HA LEU 21 13.875 1.480 1.844 181 HB2 LEU 21 2HB LEU 21 12.170 -0.885 2.657 182 HB3 LEU 21 1HB LEU 21 13.383 -0.145 3.704 183 HG LEU 21 HG LEU 21 11.199 1.506 2.437 184 HD11 LEU 21 1HD1 LEU 21 10.782 -0.593 4.295 185 HD12 LEU 21 2HD1 LEU 21 9.636 0.648 3.802 186 HD13 LEU 21 3HD1 LEU 21 10.668 0.916 5.203 187 HD21 LEU 21 3HD2 LEU 21 11.756 2.586 4.869 188 HD22 LEU 21 1HD2 LEU 21 12.602 3.037 3.391 189 HD23 LEU 21 2HD2 LEU 21 13.313 1.858 4.493 190 H ALA 22 H ALA 22 13.215 -1.837 0.901 191 HA ALA 22 HA ALA 22 15.689 -2.982 1.520 192 HB1 ALA 22 1HB ALA 22 13.702 -3.689 -0.641 193 HB2 ALA 22 2HB ALA 22 13.779 -4.367 0.982 194 HB3 ALA 22 3HB ALA 22 15.062 -4.709 -0.176 195 H LEU 23 H LEU 23 14.670 -1.054 -1.175 196 HA LEU 23 HA LEU 23 16.998 -1.641 -2.801 197 HB2 LEU 23 2HB LEU 23 14.554 -0.873 -3.507 198 HB3 LEU 23 1HB LEU 23 15.249 0.733 -3.297 199 HG LEU 23 HG LEU 23 16.779 -1.311 -4.874 200 HD11 LEU 23 1HD1 LEU 23 15.602 -0.585 -6.928 201 HD12 LEU 23 2HD1 LEU 23 14.463 0.334 -5.942 202 HD13 LEU 23 3HD1 LEU 23 14.518 -1.426 -5.820 203 HD21 LEU 23 3HD2 LEU 23 16.895 1.140 -6.139 204 HD22 LEU 23 1HD2 LEU 23 18.075 0.551 -4.969 205 HD23 LEU 23 2HD2 LEU 23 16.758 1.601 -4.443 206 H LYS 24 H LYS 24 15.738 1.070 -0.961 207 HA LYS 24 HA LYS 24 17.920 2.822 -1.366 208 HB2 LYS 24 2HB LYS 24 15.444 3.072 -0.227 209 HB3 LYS 24 1HB LYS 24 16.477 3.070 1.201 210 HG2 LYS 24 2HG LYS 24 17.318 4.779 -1.110 211 HG3 LYS 24 1HG LYS 24 15.941 5.322 -0.155 212 HD2 LYS 24 2HD LYS 24 18.494 4.447 1.193 213 HD3 LYS 24 1HD LYS 24 18.317 6.090 0.577 214 HE2 LYS 24 2HE LYS 24 16.578 4.716 2.645 215 HE3 LYS 24 1HE LYS 24 17.645 6.098 2.900 216 HZ1 LYS 24 3HZ LYS 24 16.197 7.162 1.049 217 HZ2 LYS 24 1HZ LYS 24 15.606 7.103 2.638 218 HZ3 LYS 24 2HZ LYS 24 15.068 5.975 1.491 219 H LYS 25 H LYS 25 17.114 0.614 1.252 220 HA LYS 25 HA LYS 25 19.491 1.141 2.759 221 HB2 LYS 25 2HB LYS 25 17.322 0.269 3.693 222 HB3 LYS 25 1HB LYS 25 17.675 -1.270 2.914 223 HG2 LYS 25 2HG LYS 25 20.037 -0.654 4.264 224 HG3 LYS 25 1HG LYS 25 18.771 -0.147 5.379 225 HD2 LYS 25 2HD LYS 25 18.554 -2.312 5.968 226 HD3 LYS 25 1HD LYS 25 17.869 -2.602 4.372 227 HE2 LYS 25 2HE LYS 25 19.740 -4.130 4.769 228 HE3 LYS 25 1HE LYS 25 20.149 -3.000 3.482 229 HZ1 LYS 25 3HZ LYS 25 20.890 -1.815 5.883 230 HZ2 LYS 25 1HZ LYS 25 21.910 -2.393 4.654 231 HZ3 LYS 25 2HZ LYS 25 21.453 -3.413 5.940 232 H ALA 26 H ALA 26 21.370 -0.036 2.886 233 HA ALA 26 HA ALA 26 21.790 -2.062 0.766 234 HB1 ALA 26 1HB ALA 26 23.754 -0.162 2.075 235 HB2 ALA 26 2HB ALA 26 23.204 -0.120 0.401 236 HB3 ALA 26 3HB ALA 26 24.209 -1.454 0.964 Start of MODEL 5 1 H1 LYS 1 1HT LYS 1 -1.766 -0.931 -29.177 2 H2 LYS 1 2HT LYS 1 -0.760 -1.159 -27.829 3 H3 LYS 1 3HT LYS 1 -1.671 0.263 -27.986 4 HA LYS 1 HA LYS 1 -3.663 -1.407 -28.067 5 HB2 LYS 1 2HB LYS 1 -1.350 -2.929 -26.958 6 HB3 LYS 1 1HB LYS 1 -2.873 -3.065 -26.084 7 HG2 LYS 1 2HG LYS 1 -3.385 -4.672 -27.601 8 HG3 LYS 1 1HG LYS 1 -3.709 -3.325 -28.687 9 HD2 LYS 1 2HD LYS 1 -1.639 -3.513 -29.762 10 HD3 LYS 1 1HD LYS 1 -0.910 -4.409 -28.431 11 HE2 LYS 1 2HE LYS 1 -3.180 -5.489 -30.129 12 HE3 LYS 1 1HE LYS 1 -1.478 -5.821 -30.455 13 HZ1 LYS 1 2HZ LYS 1 -2.194 -6.267 -27.717 14 HZ2 LYS 1 3HZ LYS 1 -1.390 -7.292 -28.807 15 HZ3 LYS 1 1HZ LYS 1 -3.087 -7.242 -28.787 16 H LYS 2 H LYS 2 -4.602 -1.794 -25.704 17 HA LYS 2 HA LYS 2 -4.899 0.679 -24.496 18 HB2 LYS 2 2HB LYS 2 -5.119 -1.862 -22.900 19 HB3 LYS 2 1HB LYS 2 -6.114 -0.409 -22.806 20 HG2 LYS 2 2HG LYS 2 -6.362 -1.306 -25.474 21 HG3 LYS 2 1HG LYS 2 -6.472 -2.755 -24.474 22 HD2 LYS 2 2HD LYS 2 -8.091 -1.249 -23.020 23 HD3 LYS 2 1HD LYS 2 -8.256 -0.341 -24.521 24 HE2 LYS 2 2HE LYS 2 -9.081 -3.156 -23.907 25 HE3 LYS 2 1HE LYS 2 -9.963 -1.900 -24.770 26 HZ1 LYS 2 3HZ LYS 2 -7.617 -3.420 -25.766 27 HZ2 LYS 2 1HZ LYS 2 -8.353 -2.143 -26.604 28 HZ3 LYS 2 2HZ LYS 2 -9.218 -3.573 -26.300 29 H ALA 3 H ALA 3 -3.944 1.765 -22.853 30 HA ALA 3 HA ALA 3 -1.242 1.020 -22.133 31 HB1 ALA 3 1HB ALA 3 -1.465 3.329 -22.444 32 HB2 ALA 3 2HB ALA 3 -1.510 3.171 -20.687 33 HB3 ALA 3 3HB ALA 3 -3.007 3.396 -21.590 34 H LEU 4 H LEU 4 -4.121 -0.025 -21.098 35 HA LEU 4 HA LEU 4 -4.394 0.161 -18.403 36 HB2 LEU 4 2HB LEU 4 -5.964 -1.189 -19.580 37 HB3 LEU 4 1HB LEU 4 -4.695 -2.226 -20.232 38 HG LEU 4 HG LEU 4 -4.206 -3.049 -17.943 39 HD11 LEU 4 1HD1 LEU 4 -6.041 -2.510 -16.214 40 HD12 LEU 4 2HD1 LEU 4 -6.438 -1.141 -17.254 41 HD13 LEU 4 3HD1 LEU 4 -4.837 -1.264 -16.531 42 HD21 LEU 4 3HD2 LEU 4 -7.140 -3.276 -18.699 43 HD22 LEU 4 1HD2 LEU 4 -6.229 -4.401 -17.685 44 HD23 LEU 4 2HD2 LEU 4 -5.830 -4.235 -19.396 45 H LEU 5 H LEU 5 -2.121 -1.808 -20.167 46 HA LEU 5 HA LEU 5 -0.964 -3.349 -18.213 47 HB2 LEU 5 2HB LEU 5 0.236 -1.936 -20.588 48 HB3 LEU 5 1HB LEU 5 1.214 -2.957 -19.540 49 HG LEU 5 HG LEU 5 -0.169 -4.883 -20.018 50 HD11 LEU 5 1HD1 LEU 5 -2.367 -3.885 -20.180 51 HD12 LEU 5 2HD1 LEU 5 -2.028 -4.670 -21.718 52 HD13 LEU 5 3HD1 LEU 5 -1.877 -2.921 -21.571 53 HD21 LEU 5 3HD2 LEU 5 0.209 -3.547 -22.686 54 HD22 LEU 5 1HD2 LEU 5 0.490 -5.228 -22.243 55 HD23 LEU 5 2HD2 LEU 5 1.601 -3.975 -21.688 56 H ALA 6 H ALA 6 0.082 -0.165 -19.251 57 HA ALA 6 HA ALA 6 2.011 0.310 -17.286 58 HB1 ALA 6 1HB ALA 6 1.785 2.677 -17.831 59 HB2 ALA 6 2HB ALA 6 0.232 2.367 -18.608 60 HB3 ALA 6 3HB ALA 6 1.712 1.716 -19.310 61 H LEU 7 H LEU 7 -1.450 0.911 -17.262 62 HA LEU 7 HA LEU 7 -1.541 2.274 -14.767 63 HB2 LEU 7 2HB LEU 7 -3.410 2.537 -16.220 64 HB3 LEU 7 1HB LEU 7 -3.623 0.793 -16.375 65 HG LEU 7 HG LEU 7 -4.193 0.655 -13.967 66 HD11 LEU 7 1HD1 LEU 7 -2.886 2.627 -13.229 67 HD12 LEU 7 2HD1 LEU 7 -4.561 2.730 -12.701 68 HD13 LEU 7 3HD1 LEU 7 -4.019 3.685 -14.079 69 HD21 LEU 7 3HD2 LEU 7 -6.017 0.925 -15.564 70 HD22 LEU 7 1HD2 LEU 7 -5.793 2.675 -15.570 71 HD23 LEU 7 2HD2 LEU 7 -6.376 1.863 -14.117 72 H ALA 8 H ALA 8 -2.029 -1.066 -15.722 73 HA ALA 8 HA ALA 8 -2.620 -2.087 -13.131 74 HB1 ALA 8 1HB ALA 8 -2.427 -4.250 -14.138 75 HB2 ALA 8 2HB ALA 8 -1.429 -3.615 -15.448 76 HB3 ALA 8 3HB ALA 8 -3.141 -3.193 -15.356 77 H LEU 9 H LEU 9 0.245 -2.294 -15.161 78 HA LEU 9 HA LEU 9 1.969 -3.614 -13.439 79 HB2 LEU 9 2HB LEU 9 2.290 -1.817 -15.759 80 HB3 LEU 9 1HB LEU 9 3.693 -1.943 -14.703 81 HG LEU 9 HG LEU 9 2.234 -4.396 -15.693 82 HD11 LEU 9 1HD1 LEU 9 2.906 -3.454 -17.736 83 HD12 LEU 9 2HD1 LEU 9 4.296 -4.453 -17.301 84 HD13 LEU 9 3HD1 LEU 9 4.340 -2.710 -17.028 85 HD21 LEU 9 3HD2 LEU 9 4.548 -5.358 -15.260 86 HD22 LEU 9 1HD2 LEU 9 3.698 -4.795 -13.816 87 HD23 LEU 9 2HD2 LEU 9 4.972 -3.807 -14.531 88 H HIS 10 H HIS 10 2.179 -0.155 -14.033 89 HA HIS 10 HA HIS 10 3.535 0.265 -11.502 90 HB2 HIS 10 2HB HIS 10 4.164 1.394 -13.684 91 HB3 HIS 10 1HB HIS 10 2.690 2.348 -13.524 92 HD1 HIS 10 1HD HIS 10 5.669 1.457 -11.297 93 HD2 HIS 10 2HD HIS 10 3.153 4.679 -12.137 94 HE1 HIS 10 1HE HIS 10 6.436 3.374 -9.824 95 HE2 HIS 10 2HE HIS 10 4.920 5.351 -10.335 96 H HIS 11 H HIS 11 2.850 2.501 -10.455 97 HA HIS 11 HA HIS 11 1.335 3.754 -9.294 98 HB2 HIS 11 2HB HIS 11 -0.901 2.329 -10.722 99 HB3 HIS 11 1HB HIS 11 -0.923 3.925 -9.977 100 HD1 HIS 11 1HD HIS 11 0.585 5.797 -11.186 101 HD2 HIS 11 2HD HIS 11 -0.074 2.307 -13.380 102 HE1 HIS 11 1HE HIS 11 1.208 6.328 -13.590 103 HE2 HIS 11 2HE HIS 11 0.778 4.216 -14.950 104 H LEU 12 H LEU 12 1.487 0.391 -9.245 105 HA LEU 12 HA LEU 12 -0.522 -0.358 -7.490 106 HB2 LEU 12 2HB LEU 12 1.201 -2.057 -6.608 107 HB3 LEU 12 1HB LEU 12 0.765 -2.138 -8.310 108 HG LEU 12 HG LEU 12 2.838 -0.469 -8.555 109 HD11 LEU 12 1HD1 LEU 12 4.310 -2.019 -6.634 110 HD12 LEU 12 2HD1 LEU 12 2.969 -1.226 -5.808 111 HD13 LEU 12 3HD1 LEU 12 4.129 -0.266 -6.723 112 HD21 LEU 12 3HD2 LEU 12 2.476 -2.826 -9.489 113 HD22 LEU 12 1HD2 LEU 12 3.337 -3.414 -8.069 114 HD23 LEU 12 2HD2 LEU 12 4.152 -2.348 -9.217 115 H ALA 13 H ALA 13 2.678 0.865 -6.726 116 HA ALA 13 HA ALA 13 3.583 1.765 -4.803 117 HB1 ALA 13 1HB ALA 13 2.493 3.635 -4.127 118 HB2 ALA 13 2HB ALA 13 0.991 2.770 -3.814 119 HB3 ALA 13 3HB ALA 13 1.401 3.255 -5.457 120 H HIS 14 H HIS 14 3.104 1.996 -2.329 121 HA HIS 14 HA HIS 14 2.709 1.023 -0.284 122 HB2 HIS 14 2HB HIS 14 0.886 -0.931 -1.684 123 HB3 HIS 14 1HB HIS 14 0.837 -0.396 -0.015 124 HD1 HIS 14 1HD HIS 14 -0.379 0.427 -3.392 125 HD2 HIS 14 2HD HIS 14 -0.036 2.405 0.266 126 HE1 HIS 14 1HE HIS 14 -1.853 2.487 -3.545 127 HE2 HIS 14 2HE HIS 14 -1.651 3.713 -1.317 128 H LEU 15 H LEU 15 2.762 -1.149 -2.943 129 HA LEU 15 HA LEU 15 4.159 -3.292 -1.597 130 HB2 LEU 15 2HB LEU 15 3.695 -2.730 -4.537 131 HB3 LEU 15 1HB LEU 15 4.368 -4.224 -3.885 132 HG LEU 15 HG LEU 15 1.595 -3.107 -3.341 133 HD11 LEU 15 1HD1 LEU 15 0.784 -4.906 -4.630 134 HD12 LEU 15 2HD1 LEU 15 2.311 -5.783 -4.530 135 HD13 LEU 15 3HD1 LEU 15 2.185 -4.346 -5.546 136 HD21 LEU 15 3HD2 LEU 15 1.528 -5.571 -2.263 137 HD22 LEU 15 1HD2 LEU 15 1.992 -4.156 -1.321 138 HD23 LEU 15 2HD2 LEU 15 3.233 -5.213 -1.992 139 H ALA 16 H ALA 16 4.980 -0.324 -2.907 140 HA ALA 16 HA ALA 16 7.733 -1.096 -3.524 141 HB1 ALA 16 1HB ALA 16 6.376 1.583 -3.863 142 HB2 ALA 16 2HB ALA 16 6.518 0.360 -5.124 143 HB3 ALA 16 3HB ALA 16 7.964 1.129 -4.474 144 H LEU 17 H LEU 17 5.869 0.886 -1.328 145 HA LEU 17 HA LEU 17 7.589 2.486 -0.049 146 HB2 LEU 17 2HB LEU 17 5.701 2.686 1.138 147 HB3 LEU 17 1HB LEU 17 5.164 1.077 0.681 148 HG LEU 17 HG LEU 17 7.338 1.201 2.716 149 HD11 LEU 17 1HD1 LEU 17 5.990 2.998 3.559 150 HD12 LEU 17 2HD1 LEU 17 5.585 1.567 4.504 151 HD13 LEU 17 3HD1 LEU 17 4.501 2.116 3.226 152 HD21 LEU 17 3HD2 LEU 17 4.870 -0.320 3.209 153 HD22 LEU 17 1HD2 LEU 17 6.543 -0.868 3.214 154 HD23 LEU 17 2HD2 LEU 17 5.661 -0.743 1.690 155 H HIS 18 H HIS 18 7.217 -0.912 0.709 156 HA HIS 18 HA HIS 18 9.458 -0.971 2.510 157 HB2 HIS 18 2HB HIS 18 9.016 -3.286 2.723 158 HB3 HIS 18 1HB HIS 18 7.456 -2.519 2.477 159 HD1 HIS 18 1HD HIS 18 9.802 -4.918 0.940 160 HD2 HIS 18 2HD HIS 18 6.320 -2.877 -0.105 161 HE1 HIS 18 1HE HIS 18 8.935 -6.021 -1.173 162 HE2 HIS 18 2HE HIS 18 6.806 -4.786 -1.830 163 H LEU 19 H LEU 19 8.872 -2.051 -0.765 164 HA LEU 19 HA LEU 19 11.390 -3.126 -1.339 165 HB2 LEU 19 2HB LEU 19 9.653 -3.472 -2.936 166 HB3 LEU 19 1HB LEU 19 9.347 -1.747 -3.072 167 HG LEU 19 HG LEU 19 12.107 -2.638 -3.722 168 HD11 LEU 19 1HD1 LEU 19 11.101 -3.051 -6.140 169 HD12 LEU 19 2HD1 LEU 19 9.662 -3.505 -5.227 170 HD13 LEU 19 3HD1 LEU 19 11.181 -4.362 -4.964 171 HD21 LEU 19 3HD2 LEU 19 12.119 -0.576 -4.636 172 HD22 LEU 19 1HD2 LEU 19 10.458 -0.349 -4.087 173 HD23 LEU 19 2HD2 LEU 19 10.773 -0.999 -5.695 174 H ALA 20 H ALA 20 10.222 0.105 -1.057 175 HA ALA 20 HA ALA 20 12.342 1.479 -2.340 176 HB1 ALA 20 1HB ALA 20 11.500 3.438 -1.350 177 HB2 ALA 20 2HB ALA 20 10.933 2.583 0.080 178 HB3 ALA 20 3HB ALA 20 10.070 2.410 -1.448 179 H LEU 21 H LEU 21 11.743 0.611 1.017 180 HA LEU 21 HA LEU 21 14.253 1.491 2.025 181 HB2 LEU 21 2HB LEU 21 12.095 -0.341 3.012 182 HB3 LEU 21 1HB LEU 21 13.664 -0.372 3.815 183 HG LEU 21 HG LEU 21 13.523 2.070 4.191 184 HD11 LEU 21 1HD1 LEU 21 11.314 3.172 3.735 185 HD12 LEU 21 2HD1 LEU 21 10.820 1.727 2.857 186 HD13 LEU 21 3HD1 LEU 21 12.167 2.696 2.266 187 HD21 LEU 21 3HD2 LEU 21 12.489 0.307 5.765 188 HD22 LEU 21 1HD2 LEU 21 10.931 0.801 5.101 189 HD23 LEU 21 2HD2 LEU 21 11.935 1.971 5.961 190 H ALA 22 H ALA 22 13.036 -1.490 0.695 191 HA ALA 22 HA ALA 22 15.285 -3.133 1.185 192 HB1 ALA 22 1HB ALA 22 14.158 -4.726 -0.001 193 HB2 ALA 22 2HB ALA 22 13.745 -3.609 -1.304 194 HB3 ALA 22 3HB ALA 22 12.816 -3.604 0.197 195 H LEU 23 H LEU 23 14.343 -1.276 -1.672 196 HA LEU 23 HA LEU 23 16.594 -1.891 -3.256 197 HB2 LEU 23 2HB LEU 23 14.324 -0.114 -3.398 198 HB3 LEU 23 1HB LEU 23 15.780 0.720 -3.941 199 HG LEU 23 HG LEU 23 16.254 -1.263 -5.425 200 HD11 LEU 23 1HD1 LEU 23 14.960 -3.117 -5.358 201 HD12 LEU 23 2HD1 LEU 23 13.482 -2.165 -5.463 202 HD13 LEU 23 3HD1 LEU 23 14.235 -2.452 -3.897 203 HD21 LEU 23 3HD2 LEU 23 14.630 -0.612 -7.116 204 HD22 LEU 23 1HD2 LEU 23 15.161 0.819 -6.239 205 HD23 LEU 23 2HD2 LEU 23 13.590 0.100 -5.888 206 H LYS 24 H LYS 24 15.881 1.073 -1.491 207 HA LYS 24 HA LYS 24 18.472 2.192 -1.743 208 HB2 LYS 24 2HB LYS 24 16.203 3.298 -1.103 209 HB3 LYS 24 1HB LYS 24 16.623 2.815 0.543 210 HG2 LYS 24 2HG LYS 24 18.984 3.934 -0.417 211 HG3 LYS 24 1HG LYS 24 17.734 4.971 -1.105 212 HD2 LYS 24 2HD LYS 24 18.138 5.956 0.983 213 HD3 LYS 24 1HD LYS 24 16.718 4.957 1.288 214 HE2 LYS 24 2HE LYS 24 19.168 3.427 1.646 215 HE3 LYS 24 1HE LYS 24 19.166 4.861 2.666 216 HZ1 LYS 24 3HZ LYS 24 17.855 2.498 3.144 217 HZ2 LYS 24 1HZ LYS 24 16.627 3.582 2.688 218 HZ3 LYS 24 2HZ LYS 24 17.653 3.963 3.983 219 H LYS 25 H LYS 25 17.081 -0.130 0.360 220 HA LYS 25 HA LYS 25 18.102 -1.601 1.818 221 HB2 LYS 25 2HB LYS 25 20.273 -1.028 0.544 222 HB3 LYS 25 1HB LYS 25 20.576 0.127 1.839 223 HG2 LYS 25 2HG LYS 25 19.807 -2.633 2.662 224 HG3 LYS 25 1HG LYS 25 21.415 -2.429 1.971 225 HD2 LYS 25 2HD LYS 25 22.032 -0.828 3.633 226 HD3 LYS 25 1HD LYS 25 20.370 -0.670 4.197 227 HE2 LYS 25 2HE LYS 25 21.854 -3.300 4.316 228 HE3 LYS 25 1HE LYS 25 21.919 -2.133 5.634 229 HZ1 LYS 25 3HZ LYS 25 19.386 -3.190 4.511 230 HZ2 LYS 25 1HZ LYS 25 19.578 -2.270 5.930 231 HZ3 LYS 25 2HZ LYS 25 20.170 -3.866 5.850 232 H ALA 26 H ALA 26 17.719 -1.628 3.947 233 HA ALA 26 HA ALA 26 18.170 0.756 5.572 234 HB1 ALA 26 1HB ALA 26 15.842 0.938 4.582 235 HB2 ALA 26 2HB ALA 26 15.902 0.927 6.342 236 HB3 ALA 26 3HB ALA 26 15.432 -0.530 5.470 Start of MODEL 6 1 H1 LYS 1 1HT LYS 1 10.106 0.844 15.946 2 H2 LYS 1 2HT LYS 1 9.364 1.014 14.432 3 H3 LYS 1 3HT LYS 1 9.338 -0.484 15.227 4 HA LYS 1 HA LYS 1 7.993 0.482 17.010 5 HB2 LYS 1 2HB LYS 1 8.061 2.891 15.165 6 HB3 LYS 1 1HB LYS 1 6.934 2.704 16.507 7 HG2 LYS 1 2HG LYS 1 9.736 2.220 17.260 8 HG3 LYS 1 1HG LYS 1 9.436 3.863 16.693 9 HD2 LYS 1 2HD LYS 1 7.344 3.723 18.286 10 HD3 LYS 1 1HD LYS 1 8.258 2.425 19.053 11 HE2 LYS 1 2HE LYS 1 9.174 5.289 18.643 12 HE3 LYS 1 1HE LYS 1 8.790 4.515 20.177 13 HZ1 LYS 1 2HZ LYS 1 10.941 4.033 20.262 14 HZ2 LYS 1 3HZ LYS 1 11.196 4.394 18.620 15 HZ3 LYS 1 1HZ LYS 1 10.637 2.859 19.077 16 H LYS 2 H LYS 2 7.580 -1.492 15.367 17 HA LYS 2 HA LYS 2 5.999 -2.659 14.183 18 HB2 LYS 2 2HB LYS 2 4.215 -2.103 15.548 19 HB3 LYS 2 1HB LYS 2 4.410 -0.369 15.284 20 HG2 LYS 2 2HG LYS 2 3.594 -0.674 12.939 21 HG3 LYS 2 1HG LYS 2 3.322 -2.380 13.292 22 HD2 LYS 2 2HD LYS 2 1.566 -1.919 14.780 23 HD3 LYS 2 1HD LYS 2 2.067 -0.242 15.004 24 HE2 LYS 2 2HE LYS 2 0.021 -0.885 13.396 25 HE3 LYS 2 1HE LYS 2 1.096 0.461 13.022 26 HZ1 LYS 2 3HZ LYS 2 0.588 -1.463 11.296 27 HZ2 LYS 2 1HZ LYS 2 1.901 -2.187 12.083 28 HZ3 LYS 2 2HZ LYS 2 2.088 -0.667 11.337 29 H ALA 3 H ALA 3 4.726 -2.630 12.140 30 HA ALA 3 HA ALA 3 6.107 -1.187 10.105 31 HB1 ALA 3 1HB ALA 3 4.353 -2.128 8.607 32 HB2 ALA 3 2HB ALA 3 3.506 -2.744 10.028 33 HB3 ALA 3 3HB ALA 3 5.109 -3.359 9.615 34 H LEU 4 H LEU 4 5.924 1.003 10.479 35 HA LEU 4 HA LEU 4 3.338 2.209 9.858 36 HB2 LEU 4 2HB LEU 4 3.260 2.071 12.292 37 HB3 LEU 4 1HB LEU 4 4.859 2.803 12.407 38 HG LEU 4 HG LEU 4 3.945 4.839 11.238 39 HD11 LEU 4 1HD1 LEU 4 2.037 4.119 10.079 40 HD12 LEU 4 2HD1 LEU 4 1.340 4.952 11.469 41 HD13 LEU 4 3HD1 LEU 4 1.432 3.190 11.452 42 HD21 LEU 4 3HD2 LEU 4 4.157 4.835 13.665 43 HD22 LEU 4 1HD2 LEU 4 2.628 3.968 13.832 44 HD23 LEU 4 2HD2 LEU 4 2.643 5.626 13.233 45 H LEU 5 H LEU 5 6.486 3.167 11.151 46 HA LEU 5 HA LEU 5 6.799 5.584 9.890 47 HB2 LEU 5 2HB LEU 5 9.259 3.957 9.856 48 HB3 LEU 5 1HB LEU 5 8.956 5.529 10.589 49 HG LEU 5 HG LEU 5 8.054 2.858 11.712 50 HD11 LEU 5 1HD1 LEU 5 10.206 4.793 12.611 51 HD12 LEU 5 2HD1 LEU 5 10.472 3.208 11.890 52 HD13 LEU 5 3HD1 LEU 5 9.714 3.337 13.472 53 HD21 LEU 5 3HD2 LEU 5 7.023 4.002 13.446 54 HD22 LEU 5 1HD2 LEU 5 6.722 5.135 12.130 55 HD23 LEU 5 2HD2 LEU 5 8.046 5.424 13.257 56 H ALA 6 H ALA 6 7.506 2.395 8.617 57 HA ALA 6 HA ALA 6 8.595 3.128 6.152 58 HB1 ALA 6 1HB ALA 6 8.238 0.769 7.270 59 HB2 ALA 6 2HB ALA 6 8.297 0.914 5.515 60 HB3 ALA 6 3HB ALA 6 6.742 0.785 6.336 61 H LEU 7 H LEU 7 5.250 2.588 7.099 62 HA LEU 7 HA LEU 7 4.115 3.186 4.552 63 HB2 LEU 7 2HB LEU 7 2.550 3.722 7.033 64 HB3 LEU 7 1HB LEU 7 2.055 2.899 5.554 65 HG LEU 7 HG LEU 7 3.913 1.767 7.672 66 HD11 LEU 7 1HD1 LEU 7 2.056 0.184 8.075 67 HD12 LEU 7 2HD1 LEU 7 1.066 1.063 6.910 68 HD13 LEU 7 3HD1 LEU 7 1.572 1.847 8.404 69 HD21 LEU 7 3HD2 LEU 7 3.465 -0.359 6.270 70 HD22 LEU 7 1HD2 LEU 7 4.590 0.821 5.598 71 HD23 LEU 7 2HD2 LEU 7 2.933 0.744 5.004 72 H ALA 8 H ALA 8 4.656 4.968 7.507 73 HA ALA 8 HA ALA 8 3.528 7.440 6.830 74 HB1 ALA 8 1HB ALA 8 6.049 7.034 8.446 75 HB2 ALA 8 2HB ALA 8 4.427 6.767 9.088 76 HB3 ALA 8 3HB ALA 8 4.914 8.378 8.561 77 H LEU 9 H LEU 9 6.833 6.323 6.541 78 HA LEU 9 HA LEU 9 7.994 8.513 5.328 79 HB2 LEU 9 2HB LEU 9 9.319 6.615 6.098 80 HB3 LEU 9 1HB LEU 9 8.602 5.588 4.856 81 HG LEU 9 HG LEU 9 9.556 7.068 3.104 82 HD11 LEU 9 1HD1 LEU 9 10.869 8.446 5.470 83 HD12 LEU 9 2HD1 LEU 9 9.647 9.157 4.413 84 HD13 LEU 9 3HD1 LEU 9 11.239 8.753 3.774 85 HD21 LEU 9 3HD2 LEU 9 11.637 6.133 5.103 86 HD22 LEU 9 1HD2 LEU 9 11.865 6.350 3.367 87 HD23 LEU 9 2HD2 LEU 9 10.800 5.075 3.962 88 H HIS 10 H HIS 10 6.810 5.642 3.583 89 HA HIS 10 HA HIS 10 6.019 7.450 1.410 90 HB2 HIS 10 2HB HIS 10 8.057 5.330 1.275 91 HB3 HIS 10 1HB HIS 10 6.894 5.353 -0.052 92 HD1 HIS 10 1HD HIS 10 9.873 6.237 -0.487 93 HD2 HIS 10 2HD HIS 10 6.724 8.874 0.346 94 HE1 HIS 10 1HE HIS 10 10.595 8.525 -1.322 95 HE2 HIS 10 2HE HIS 10 8.706 10.142 -0.799 96 H HIS 11 H HIS 11 3.951 7.259 1.833 97 HA HIS 11 HA HIS 11 2.582 4.660 1.823 98 HB2 HIS 11 2HB HIS 11 0.586 6.315 2.167 99 HB3 HIS 11 1HB HIS 11 1.735 6.116 3.495 100 HD1 HIS 11 1HD HIS 11 0.953 8.463 0.609 101 HD2 HIS 11 2HD HIS 11 3.295 8.373 4.066 102 HE1 HIS 11 1HE HIS 11 2.025 10.755 0.825 103 HE2 HIS 11 2HE HIS 11 3.452 10.721 2.923 104 H LEU 12 H LEU 12 3.921 6.044 -0.575 105 HA LEU 12 HA LEU 12 1.828 6.969 -2.263 106 HB2 LEU 12 2HB LEU 12 4.666 6.121 -2.802 107 HB3 LEU 12 1HB LEU 12 3.583 6.681 -4.074 108 HG LEU 12 HG LEU 12 3.570 8.424 -1.710 109 HD11 LEU 12 1HD1 LEU 12 5.751 9.212 -1.745 110 HD12 LEU 12 2HD1 LEU 12 6.061 8.600 -3.366 111 HD13 LEU 12 3HD1 LEU 12 6.019 7.487 -2.000 112 HD21 LEU 12 3HD2 LEU 12 3.517 10.127 -3.352 113 HD22 LEU 12 1HD2 LEU 12 2.639 8.786 -4.099 114 HD23 LEU 12 2HD2 LEU 12 4.314 9.112 -4.554 115 H ALA 13 H ALA 13 3.913 4.185 -2.813 116 HA ALA 13 HA ALA 13 1.725 2.877 -4.258 117 HB1 ALA 13 1HB ALA 13 4.275 1.445 -4.104 118 HB2 ALA 13 2HB ALA 13 4.418 3.065 -4.784 119 HB3 ALA 13 3HB ALA 13 3.317 1.895 -5.513 120 H HIS 14 H HIS 14 3.724 2.427 -1.447 121 HA HIS 14 HA HIS 14 3.450 1.158 0.459 122 HB2 HIS 14 2HB HIS 14 0.949 0.156 -0.936 123 HB3 HIS 14 1HB HIS 14 1.454 -0.293 0.681 124 HD1 HIS 14 1HD HIS 14 0.245 1.027 2.408 125 HD2 HIS 14 2HD HIS 14 0.946 3.283 -1.034 126 HE1 HIS 14 1HE HIS 14 -0.704 3.336 2.845 127 HE2 HIS 14 2HE HIS 14 -0.273 4.725 0.761 128 H LEU 15 H LEU 15 2.708 -0.338 -2.563 129 HA LEU 15 HA LEU 15 3.714 -2.952 -1.971 130 HB2 LEU 15 2HB LEU 15 2.210 -1.881 -3.991 131 HB3 LEU 15 1HB LEU 15 3.782 -2.000 -4.779 132 HG LEU 15 HG LEU 15 2.617 -4.048 -5.186 133 HD11 LEU 15 1HD1 LEU 15 4.470 -4.717 -2.903 134 HD12 LEU 15 2HD1 LEU 15 5.072 -4.125 -4.451 135 HD13 LEU 15 3HD1 LEU 15 4.176 -5.641 -4.379 136 HD21 LEU 15 3HD2 LEU 15 2.376 -4.978 -2.418 137 HD22 LEU 15 1HD2 LEU 15 1.188 -5.028 -3.724 138 HD23 LEU 15 2HD2 LEU 15 1.372 -3.570 -2.752 139 H ALA 16 H ALA 16 4.989 0.027 -2.960 140 HA ALA 16 HA ALA 16 7.598 -1.124 -3.620 141 HB1 ALA 16 1HB ALA 16 8.054 0.818 -4.785 142 HB2 ALA 16 2HB ALA 16 7.049 1.812 -3.726 143 HB3 ALA 16 3HB ALA 16 6.297 0.769 -4.939 144 H LEU 17 H LEU 17 6.011 0.966 -1.315 145 HA LEU 17 HA LEU 17 7.877 2.284 0.051 146 HB2 LEU 17 2HB LEU 17 6.440 2.327 1.829 147 HB3 LEU 17 1HB LEU 17 5.356 1.659 0.621 148 HG LEU 17 HG LEU 17 6.150 -0.658 1.471 149 HD11 LEU 17 1HD1 LEU 17 6.560 0.293 4.155 150 HD12 LEU 17 2HD1 LEU 17 7.763 1.030 3.099 151 HD13 LEU 17 3HD1 LEU 17 7.618 -0.724 3.182 152 HD21 LEU 17 3HD2 LEU 17 4.619 -0.309 3.590 153 HD22 LEU 17 1HD2 LEU 17 3.926 -0.148 1.978 154 HD23 LEU 17 2HD2 LEU 17 4.364 1.290 2.899 155 H HIS 18 H HIS 18 7.332 -1.140 0.364 156 HA HIS 18 HA HIS 18 9.569 -1.483 2.180 157 HB2 HIS 18 2HB HIS 18 8.918 -3.762 2.297 158 HB3 HIS 18 1HB HIS 18 7.444 -2.812 2.207 159 HD1 HIS 18 1HD HIS 18 9.377 -5.374 0.349 160 HD2 HIS 18 2HD HIS 18 6.124 -2.843 -0.344 161 HE1 HIS 18 1HE HIS 18 8.242 -6.212 -1.758 162 HE2 HIS 18 2HE HIS 18 6.265 -4.681 -2.197 163 H LEU 19 H LEU 19 8.774 -2.443 -1.094 164 HA LEU 19 HA LEU 19 11.200 -3.726 -1.742 165 HB2 LEU 19 2HB LEU 19 9.122 -3.792 -3.141 166 HB3 LEU 19 1HB LEU 19 9.428 -2.119 -3.607 167 HG LEU 19 HG LEU 19 11.752 -3.902 -3.942 168 HD11 LEU 19 1HD1 LEU 19 10.541 -4.600 -6.228 169 HD12 LEU 19 2HD1 LEU 19 9.113 -4.518 -5.195 170 HD13 LEU 19 3HD1 LEU 19 10.446 -5.597 -4.777 171 HD21 LEU 19 3HD2 LEU 19 11.498 -2.739 -6.286 172 HD22 LEU 19 1HD2 LEU 19 11.998 -1.779 -4.897 173 HD23 LEU 19 2HD2 LEU 19 10.325 -1.723 -5.452 174 H ALA 20 H ALA 20 10.261 -0.428 -1.500 175 HA ALA 20 HA ALA 20 12.541 0.690 -2.853 176 HB1 ALA 20 1HB ALA 20 10.426 1.950 -2.678 177 HB2 ALA 20 2HB ALA 20 11.759 2.836 -1.944 178 HB3 ALA 20 3HB ALA 20 10.600 1.988 -0.924 179 H LEU 21 H LEU 21 11.512 0.677 0.532 180 HA LEU 21 HA LEU 21 13.817 1.671 1.693 181 HB2 LEU 21 2HB LEU 21 11.519 0.097 2.579 182 HB3 LEU 21 1HB LEU 21 12.982 -0.284 3.487 183 HG LEU 21 HG LEU 21 11.732 1.570 4.535 184 HD11 LEU 21 1HD1 LEU 21 14.158 2.867 3.342 185 HD12 LEU 21 2HD1 LEU 21 14.364 1.409 4.314 186 HD13 LEU 21 3HD1 LEU 21 13.613 2.841 5.019 187 HD21 LEU 21 3HD2 LEU 21 11.529 2.431 1.790 188 HD22 LEU 21 1HD2 LEU 21 12.291 3.703 2.742 189 HD23 LEU 21 2HD2 LEU 21 10.710 3.080 3.207 190 H ALA 22 H ALA 22 13.042 -1.572 0.690 191 HA ALA 22 HA ALA 22 15.240 -2.940 1.726 192 HB1 ALA 22 1HB ALA 22 13.165 -3.890 0.577 193 HB2 ALA 22 2HB ALA 22 14.699 -4.691 0.240 194 HB3 ALA 22 3HB ALA 22 14.009 -3.578 -0.942 195 H LEU 23 H LEU 23 14.852 -1.431 -1.446 196 HA LEU 23 HA LEU 23 17.619 -1.934 -2.157 197 HB2 LEU 23 2HB LEU 23 15.551 -0.252 -3.578 198 HB3 LEU 23 1HB LEU 23 17.062 -0.853 -4.260 199 HG LEU 23 HG LEU 23 14.836 -2.626 -3.205 200 HD11 LEU 23 1HD1 LEU 23 15.606 -2.025 -6.074 201 HD12 LEU 23 2HD1 LEU 23 14.228 -1.297 -5.250 202 HD13 LEU 23 3HD1 LEU 23 14.268 -3.036 -5.524 203 HD21 LEU 23 3HD2 LEU 23 16.202 -4.267 -4.717 204 HD22 LEU 23 1HD2 LEU 23 16.821 -3.889 -3.108 205 HD23 LEU 23 2HD2 LEU 23 17.505 -3.092 -4.528 206 H LYS 24 H LYS 24 15.614 0.870 -1.486 207 HA LYS 24 HA LYS 24 17.555 2.850 -1.852 208 HB2 LYS 24 2HB LYS 24 15.083 3.223 -1.615 209 HB3 LYS 24 1HB LYS 24 15.277 2.982 0.121 210 HG2 LYS 24 2HG LYS 24 17.168 4.914 -1.106 211 HG3 LYS 24 1HG LYS 24 15.474 5.412 -1.096 212 HD2 LYS 24 2HD LYS 24 15.387 5.580 1.190 213 HD3 LYS 24 1HD LYS 24 16.497 4.232 1.439 214 HE2 LYS 24 2HE LYS 24 17.378 6.552 2.078 215 HE3 LYS 24 1HE LYS 24 18.409 5.603 1.003 216 HZ1 LYS 24 3HZ LYS 24 16.907 8.033 0.467 217 HZ2 LYS 24 1HZ LYS 24 16.858 6.867 -0.757 218 HZ3 LYS 24 2HZ LYS 24 18.351 7.468 -0.233 219 H LYS 25 H LYS 25 16.540 1.304 1.177 220 HA LYS 25 HA LYS 25 18.698 2.619 2.614 221 HB2 LYS 25 2HB LYS 25 16.282 1.938 3.477 222 HB3 LYS 25 1HB LYS 25 17.093 0.417 3.850 223 HG2 LYS 25 2HG LYS 25 18.765 2.619 4.664 224 HG3 LYS 25 1HG LYS 25 17.156 2.822 5.353 225 HD2 LYS 25 2HD LYS 25 17.245 0.766 6.499 226 HD3 LYS 25 1HD LYS 25 18.535 0.141 5.473 227 HE2 LYS 25 2HE LYS 25 19.811 2.286 6.504 228 HE3 LYS 25 1HE LYS 25 18.698 1.957 7.828 229 HZ1 LYS 25 3HZ LYS 25 20.280 -0.230 6.609 230 HZ2 LYS 25 1HZ LYS 25 19.583 -0.138 8.158 231 HZ3 LYS 25 2HZ LYS 25 20.960 0.784 7.805 232 H ALA 26 H ALA 26 20.079 1.281 4.075 233 HA ALA 26 HA ALA 26 21.289 -0.891 2.515 234 HB1 ALA 26 1HB ALA 26 22.667 1.071 3.334 235 HB2 ALA 26 2HB ALA 26 23.267 -0.511 3.823 236 HB3 ALA 26 3HB ALA 26 22.391 0.487 4.978 Start of MODEL 7 1 H1 LYS 1 1HT LYS 1 3.619 14.716 -24.503 2 H2 LYS 1 2HT LYS 1 4.150 13.359 -25.367 3 H3 LYS 1 3HT LYS 1 5.115 14.016 -24.136 4 HA LYS 1 HA LYS 1 2.473 13.287 -23.257 5 HB2 LYS 1 2HB LYS 1 4.416 11.192 -24.285 6 HB3 LYS 1 1HB LYS 1 3.091 10.835 -23.183 7 HG2 LYS 1 2HG LYS 1 2.605 12.249 -25.808 8 HG3 LYS 1 1HG LYS 1 2.667 10.490 -25.710 9 HD2 LYS 1 2HD LYS 1 0.797 10.396 -24.239 10 HD3 LYS 1 1HD LYS 1 0.884 12.123 -23.893 11 HE2 LYS 1 2HE LYS 1 -0.950 11.473 -25.497 12 HE3 LYS 1 1HE LYS 1 0.163 12.689 -26.117 13 HZ1 LYS 1 2HZ LYS 1 -0.150 11.065 -27.797 14 HZ2 LYS 1 3HZ LYS 1 0.145 9.787 -26.727 15 HZ3 LYS 1 1HZ LYS 1 1.410 10.823 -27.172 16 H LYS 2 H LYS 2 2.808 13.970 -21.213 17 HA LYS 2 HA LYS 2 5.403 13.934 -19.970 18 HB2 LYS 2 2HB LYS 2 2.624 14.512 -18.913 19 HB3 LYS 2 1HB LYS 2 4.084 14.631 -17.930 20 HG2 LYS 2 2HG LYS 2 4.971 16.391 -19.264 21 HG3 LYS 2 1HG LYS 2 3.812 16.103 -20.562 22 HD2 LYS 2 2HD LYS 2 2.504 17.687 -19.627 23 HD3 LYS 2 1HD LYS 2 2.223 16.563 -18.297 24 HE2 LYS 2 2HE LYS 2 3.057 18.775 -17.497 25 HE3 LYS 2 1HE LYS 2 4.152 17.452 -17.087 26 HZ1 LYS 2 3HZ LYS 2 4.513 18.966 -19.594 27 HZ2 LYS 2 1HZ LYS 2 5.655 18.080 -18.709 28 HZ3 LYS 2 2HZ LYS 2 5.121 19.577 -18.128 29 H ALA 3 H ALA 3 5.710 12.853 -17.815 30 HA ALA 3 HA ALA 3 5.195 10.045 -18.045 31 HB1 ALA 3 1HB ALA 3 7.219 11.037 -16.924 32 HB2 ALA 3 2HB ALA 3 6.382 9.833 -15.950 33 HB3 ALA 3 3HB ALA 3 6.173 11.548 -15.600 34 H LEU 4 H LEU 4 2.762 11.183 -18.191 35 HA LEU 4 HA LEU 4 1.424 11.330 -15.641 36 HB2 LEU 4 2HB LEU 4 0.871 12.145 -18.253 37 HB3 LEU 4 1HB LEU 4 -0.309 10.875 -17.928 38 HG LEU 4 HG LEU 4 0.212 13.312 -16.195 39 HD11 LEU 4 1HD1 LEU 4 -1.023 14.055 -18.062 40 HD12 LEU 4 2HD1 LEU 4 -2.263 13.715 -16.855 41 HD13 LEU 4 3HD1 LEU 4 -1.959 12.562 -18.155 42 HD21 LEU 4 3HD2 LEU 4 -0.707 12.090 -14.525 43 HD22 LEU 4 1HD2 LEU 4 -1.076 10.757 -15.622 44 HD23 LEU 4 2HD2 LEU 4 -2.212 12.096 -15.448 45 H LEU 5 H LEU 5 0.938 9.221 -18.424 46 HA LEU 5 HA LEU 5 -0.646 7.276 -17.374 47 HB2 LEU 5 2HB LEU 5 -0.035 7.127 -19.676 48 HB3 LEU 5 1HB LEU 5 1.680 7.026 -19.283 49 HG LEU 5 HG LEU 5 1.308 4.840 -18.192 50 HD11 LEU 5 1HD1 LEU 5 -0.835 4.689 -17.395 51 HD12 LEU 5 2HD1 LEU 5 -1.072 3.866 -18.932 52 HD13 LEU 5 3HD1 LEU 5 -1.526 5.559 -18.760 53 HD21 LEU 5 3HD2 LEU 5 1.940 4.695 -20.472 54 HD22 LEU 5 1HD2 LEU 5 0.348 5.207 -21.034 55 HD23 LEU 5 2HD2 LEU 5 0.560 3.608 -20.314 56 H ALA 6 H ALA 6 2.828 7.552 -17.081 57 HA ALA 6 HA ALA 6 3.501 5.233 -15.759 58 HB1 ALA 6 1HB ALA 6 5.084 6.970 -14.441 59 HB2 ALA 6 2HB ALA 6 4.570 8.000 -15.781 60 HB3 ALA 6 3HB ALA 6 5.393 6.472 -16.107 61 H LEU 7 H LEU 7 2.414 8.265 -14.320 62 HA LEU 7 HA LEU 7 2.342 7.405 -11.635 63 HB2 LEU 7 2HB LEU 7 0.292 9.342 -12.656 64 HB3 LEU 7 1HB LEU 7 1.194 9.376 -11.143 65 HG LEU 7 HG LEU 7 2.304 9.935 -13.904 66 HD11 LEU 7 1HD1 LEU 7 0.925 11.575 -12.082 67 HD12 LEU 7 2HD1 LEU 7 1.843 12.088 -13.497 68 HD13 LEU 7 3HD1 LEU 7 2.629 12.004 -11.921 69 HD21 LEU 7 3HD2 LEU 7 4.044 8.890 -12.652 70 HD22 LEU 7 1HD2 LEU 7 3.586 9.740 -11.175 71 HD23 LEU 7 2HD2 LEU 7 4.336 10.626 -12.507 72 H ALA 8 H ALA 8 -0.106 7.488 -14.126 73 HA ALA 8 HA ALA 8 -2.361 6.640 -12.841 74 HB1 ALA 8 1HB ALA 8 -1.603 5.349 -15.434 75 HB2 ALA 8 2HB ALA 8 -1.921 7.082 -15.369 76 HB3 ALA 8 3HB ALA 8 -3.182 5.936 -14.909 77 H LEU 9 H LEU 9 0.053 4.560 -14.301 78 HA LEU 9 HA LEU 9 -1.057 2.208 -12.987 79 HB2 LEU 9 2HB LEU 9 0.420 0.922 -14.320 80 HB3 LEU 9 1HB LEU 9 -0.126 2.233 -15.359 81 HG LEU 9 HG LEU 9 2.164 3.222 -14.023 82 HD11 LEU 9 1HD1 LEU 9 2.535 0.717 -13.557 83 HD12 LEU 9 2HD1 LEU 9 3.864 1.582 -14.322 84 HD13 LEU 9 3HD1 LEU 9 2.805 0.554 -15.286 85 HD21 LEU 9 3HD2 LEU 9 1.971 2.070 -16.824 86 HD22 LEU 9 1HD2 LEU 9 3.090 3.315 -16.271 87 HD23 LEU 9 2HD2 LEU 9 1.365 3.662 -16.370 88 H HIS 10 H HIS 10 0.986 4.612 -12.015 89 HA HIS 10 HA HIS 10 2.941 3.032 -10.573 90 HB2 HIS 10 2HB HIS 10 3.212 5.438 -11.504 91 HB3 HIS 10 1HB HIS 10 2.327 5.941 -10.073 92 HD1 HIS 10 1HD HIS 10 5.454 4.002 -11.039 93 HD2 HIS 10 2HD HIS 10 3.901 6.135 -7.799 94 HE1 HIS 10 1HE HIS 10 7.312 4.149 -9.317 95 HE2 HIS 10 2HE HIS 10 6.390 5.460 -7.341 96 H HIS 11 H HIS 11 2.554 5.152 -8.359 97 HA HIS 11 HA HIS 11 1.763 5.168 -6.221 98 HB2 HIS 11 2HB HIS 11 -0.751 4.436 -7.721 99 HB3 HIS 11 1HB HIS 11 -0.716 4.899 -6.018 100 HD1 HIS 11 1HD HIS 11 0.611 7.298 -5.590 101 HD2 HIS 11 2HD HIS 11 -0.899 6.625 -9.415 102 HE1 HIS 11 1HE HIS 11 0.417 9.566 -6.698 103 HE2 HIS 11 2HE HIS 11 -0.552 9.180 -9.013 104 H LEU 12 H LEU 12 3.127 2.829 -6.861 105 HA LEU 12 HA LEU 12 1.650 0.518 -5.993 106 HB2 LEU 12 2HB LEU 12 4.529 1.130 -6.557 107 HB3 LEU 12 1HB LEU 12 4.130 -0.308 -5.614 108 HG LEU 12 HG LEU 12 2.577 -1.029 -7.432 109 HD11 LEU 12 1HD1 LEU 12 1.896 0.749 -8.720 110 HD12 LEU 12 2HD1 LEU 12 3.321 0.324 -9.671 111 HD13 LEU 12 3HD1 LEU 12 3.406 1.628 -8.484 112 HD21 LEU 12 3HD2 LEU 12 5.511 -0.574 -7.870 113 HD22 LEU 12 1HD2 LEU 12 4.558 -1.253 -9.187 114 HD23 LEU 12 2HD2 LEU 12 4.642 -2.089 -7.636 115 H ALA 13 H ALA 13 3.695 2.943 -4.601 116 HA ALA 13 HA ALA 13 4.528 3.183 -2.418 117 HB1 ALA 13 1HB ALA 13 2.598 4.583 -2.449 118 HB2 ALA 13 2HB ALA 13 2.562 3.712 -0.917 119 HB3 ALA 13 3HB ALA 13 1.515 3.208 -2.245 120 H HIS 14 H HIS 14 1.677 1.545 -1.306 121 HA HIS 14 HA HIS 14 2.706 0.105 0.744 122 HB2 HIS 14 2HB HIS 14 0.513 -0.583 -1.190 123 HB3 HIS 14 1HB HIS 14 0.923 -1.650 0.149 124 HD1 HIS 14 1HD HIS 14 -0.029 -1.063 2.406 125 HD2 HIS 14 2HD HIS 14 -0.291 2.112 -0.295 126 HE1 HIS 14 1HE HIS 14 -1.411 0.743 3.534 127 HE2 HIS 14 2HE HIS 14 -1.575 2.685 1.898 128 H LEU 15 H LEU 15 2.681 -0.801 -2.627 129 HA LEU 15 HA LEU 15 4.085 -3.312 -2.074 130 HB2 LEU 15 2HB LEU 15 2.583 -2.134 -4.335 131 HB3 LEU 15 1HB LEU 15 3.913 -3.213 -4.758 132 HG LEU 15 HG LEU 15 1.928 -4.030 -2.644 133 HD11 LEU 15 1HD1 LEU 15 0.431 -3.563 -4.405 134 HD12 LEU 15 2HD1 LEU 15 0.794 -5.276 -4.614 135 HD13 LEU 15 3HD1 LEU 15 1.582 -4.076 -5.642 136 HD21 LEU 15 3HD2 LEU 15 2.635 -6.244 -3.236 137 HD22 LEU 15 1HD2 LEU 15 4.100 -5.272 -3.130 138 HD23 LEU 15 2HD2 LEU 15 3.420 -5.670 -4.708 139 H ALA 16 H ALA 16 4.934 -0.162 -2.578 140 HA ALA 16 HA ALA 16 7.491 -0.946 -3.838 141 HB1 ALA 16 1HB ALA 16 5.750 1.429 -4.217 142 HB2 ALA 16 2HB ALA 16 6.698 0.527 -5.399 143 HB3 ALA 16 3HB ALA 16 7.493 1.668 -4.317 144 H LEU 17 H LEU 17 6.084 1.295 -1.483 145 HA LEU 17 HA LEU 17 8.262 2.596 -0.530 146 HB2 LEU 17 2HB LEU 17 7.194 2.713 1.660 147 HB3 LEU 17 1HB LEU 17 6.017 2.946 0.377 148 HG LEU 17 HG LEU 17 5.778 0.282 0.670 149 HD11 LEU 17 1HD1 LEU 17 7.441 1.003 2.837 150 HD12 LEU 17 2HD1 LEU 17 6.609 -0.533 2.608 151 HD13 LEU 17 3HD1 LEU 17 5.839 0.752 3.531 152 HD21 LEU 17 3HD2 LEU 17 4.496 2.454 2.353 153 HD22 LEU 17 1HD2 LEU 17 3.879 0.807 2.255 154 HD23 LEU 17 2HD2 LEU 17 3.914 1.826 0.815 155 H HIS 18 H HIS 18 7.227 -0.574 0.504 156 HA HIS 18 HA HIS 18 9.343 -1.098 2.299 157 HB2 HIS 18 2HB HIS 18 8.620 -3.385 2.225 158 HB3 HIS 18 1HB HIS 18 7.199 -2.362 2.075 159 HD1 HIS 18 1HD HIS 18 8.616 -5.252 0.568 160 HD2 HIS 18 2HD HIS 18 6.612 -1.886 -0.890 161 HE1 HIS 18 1HE HIS 18 7.818 -5.846 -1.772 162 HE2 HIS 18 2HE HIS 18 6.619 -3.798 -2.690 163 H LEU 19 H LEU 19 8.872 -2.018 -1.047 164 HA LEU 19 HA LEU 19 11.373 -3.260 -1.456 165 HB2 LEU 19 2HB LEU 19 9.618 -3.628 -3.054 166 HB3 LEU 19 1HB LEU 19 9.444 -1.897 -3.349 167 HG LEU 19 HG LEU 19 11.718 -1.826 -4.297 168 HD11 LEU 19 1HD1 LEU 19 12.886 -3.548 -3.150 169 HD12 LEU 19 2HD1 LEU 19 12.731 -4.150 -4.798 170 HD13 LEU 19 3HD1 LEU 19 11.655 -4.754 -3.540 171 HD21 LEU 19 3HD2 LEU 19 9.819 -2.267 -5.806 172 HD22 LEU 19 1HD2 LEU 19 9.937 -3.997 -5.466 173 HD23 LEU 19 2HD2 LEU 19 11.233 -3.179 -6.335 174 H ALA 20 H ALA 20 10.254 0.007 -1.504 175 HA ALA 20 HA ALA 20 12.512 1.221 -2.739 176 HB1 ALA 20 1HB ALA 20 10.155 2.214 -2.145 177 HB2 ALA 20 2HB ALA 20 11.570 3.263 -2.146 178 HB3 ALA 20 3HB ALA 20 10.932 2.643 -0.622 179 H LEU 21 H LEU 21 11.625 0.627 0.598 180 HA LEU 21 HA LEU 21 13.955 1.717 1.777 181 HB2 LEU 21 2HB LEU 21 11.588 0.629 2.725 182 HB3 LEU 21 1HB LEU 21 12.797 -0.563 3.204 183 HG LEU 21 HG LEU 21 13.127 2.404 3.718 184 HD11 LEU 21 1HD1 LEU 21 12.067 0.246 5.571 185 HD12 LEU 21 2HD1 LEU 21 11.132 1.581 4.901 186 HD13 LEU 21 3HD1 LEU 21 12.436 1.906 6.041 187 HD21 LEU 21 3HD2 LEU 21 14.672 1.341 5.527 188 HD22 LEU 21 1HD2 LEU 21 15.232 1.337 3.853 189 HD23 LEU 21 2HD2 LEU 21 14.543 -0.125 4.556 190 H ALA 22 H ALA 22 13.027 -1.549 0.853 191 HA ALA 22 HA ALA 22 15.394 -2.867 1.599 192 HB1 ALA 22 1HB ALA 22 14.695 -4.632 0.046 193 HB2 ALA 22 2HB ALA 22 13.535 -3.529 -0.694 194 HB3 ALA 22 3HB ALA 22 13.316 -4.051 0.976 195 H LEU 23 H LEU 23 14.426 -1.297 -1.400 196 HA LEU 23 HA LEU 23 16.708 -1.928 -2.923 197 HB2 LEU 23 2HB LEU 23 14.566 -0.948 -3.818 198 HB3 LEU 23 1HB LEU 23 15.068 0.598 -3.139 199 HG LEU 23 HG LEU 23 17.305 0.091 -4.484 200 HD11 LEU 23 1HD1 LEU 23 16.854 -1.105 -6.578 201 HD12 LEU 23 2HD1 LEU 23 15.196 -1.413 -6.067 202 HD13 LEU 23 3HD1 LEU 23 16.537 -2.166 -5.207 203 HD21 LEU 23 3HD2 LEU 23 14.668 1.148 -5.504 204 HD22 LEU 23 1HD2 LEU 23 16.105 1.179 -6.523 205 HD23 LEU 23 2HD2 LEU 23 16.088 2.056 -4.994 206 H LYS 24 H LYS 24 15.930 0.865 -0.926 207 HA LYS 24 HA LYS 24 18.372 2.251 -1.287 208 HB2 LYS 24 2HB LYS 24 16.274 3.255 -0.352 209 HB3 LYS 24 1HB LYS 24 16.550 2.343 1.129 210 HG2 LYS 24 2HG LYS 24 18.682 4.156 -0.003 211 HG3 LYS 24 1HG LYS 24 17.405 4.793 1.033 212 HD2 LYS 24 2HD LYS 24 18.282 2.503 2.372 213 HD3 LYS 24 1HD LYS 24 19.764 3.238 1.763 214 HE2 LYS 24 2HE LYS 24 17.635 4.803 3.239 215 HE3 LYS 24 1HE LYS 24 19.008 4.047 4.046 216 HZ1 LYS 24 3HZ LYS 24 18.921 6.406 2.395 217 HZ2 LYS 24 1HZ LYS 24 20.192 5.346 2.010 218 HZ3 LYS 24 2HZ LYS 24 20.039 5.954 3.588 219 H LYS 25 H LYS 25 17.215 0.104 1.233 220 HA LYS 25 HA LYS 25 18.726 -1.687 2.004 221 HB2 LYS 25 2HB LYS 25 20.792 -0.580 1.136 222 HB3 LYS 25 1HB LYS 25 20.680 0.596 2.446 223 HG2 LYS 25 2HG LYS 25 20.479 -1.779 3.810 224 HG3 LYS 25 1HG LYS 25 21.567 -2.217 2.499 225 HD2 LYS 25 2HD LYS 25 23.226 -0.764 3.194 226 HD3 LYS 25 1HD LYS 25 22.082 0.365 3.913 227 HE2 LYS 25 2HE LYS 25 23.635 -1.338 5.363 228 HE3 LYS 25 1HE LYS 25 22.089 -0.706 5.926 229 HZ1 LYS 25 3HZ LYS 25 21.065 -2.672 5.631 230 HZ2 LYS 25 1HZ LYS 25 22.642 -3.287 5.803 231 HZ3 LYS 25 2HZ LYS 25 21.979 -3.084 4.251 232 H ALA 26 H ALA 26 18.600 -2.269 4.132 233 HA ALA 26 HA ALA 26 17.892 -0.156 6.076 234 HB1 ALA 26 1HB ALA 26 16.562 -2.871 5.905 235 HB2 ALA 26 2HB ALA 26 15.866 -1.390 5.251 236 HB3 ALA 26 3HB ALA 26 16.141 -1.540 6.984 Start of MODEL 8 1 H1 LYS 1 1HT LYS 1 13.562 -5.316 -11.101 2 H2 LYS 1 2HT LYS 1 12.560 -6.114 -12.211 3 H3 LYS 1 3HT LYS 1 12.350 -6.359 -10.550 4 HA LYS 1 HA LYS 1 11.285 -4.407 -10.216 5 HB2 LYS 1 2HB LYS 1 12.965 -3.455 -12.543 6 HB3 LYS 1 1HB LYS 1 11.586 -2.515 -11.976 7 HG2 LYS 1 2HG LYS 1 13.171 -3.366 -9.715 8 HG3 LYS 1 1HG LYS 1 14.200 -2.541 -10.883 9 HD2 LYS 1 2HD LYS 1 11.532 -1.397 -10.016 10 HD3 LYS 1 1HD LYS 1 13.016 -1.060 -9.127 11 HE2 LYS 1 2HE LYS 1 12.368 -0.347 -11.998 12 HE3 LYS 1 1HE LYS 1 12.771 0.742 -10.672 13 HZ1 LYS 1 2HZ LYS 1 14.726 0.580 -11.857 14 HZ2 LYS 1 3HZ LYS 1 14.539 -1.077 -12.167 15 HZ3 LYS 1 1HZ LYS 1 14.958 -0.550 -10.612 16 H LYS 2 H LYS 2 10.041 -6.536 -11.138 17 HA LYS 2 HA LYS 2 8.811 -6.091 -13.725 18 HB2 LYS 2 2HB LYS 2 7.877 -8.052 -11.632 19 HB3 LYS 2 1HB LYS 2 7.656 -8.132 -13.379 20 HG2 LYS 2 2HG LYS 2 9.502 -9.432 -13.431 21 HG3 LYS 2 1HG LYS 2 10.425 -7.972 -13.085 22 HD2 LYS 2 2HD LYS 2 11.025 -9.648 -11.440 23 HD3 LYS 2 1HD LYS 2 10.084 -8.395 -10.640 24 HE2 LYS 2 2HE LYS 2 9.534 -10.976 -10.277 25 HE3 LYS 2 1HE LYS 2 8.262 -9.762 -10.318 26 HZ1 LYS 2 3HZ LYS 2 9.122 -11.052 -12.816 27 HZ2 LYS 2 1HZ LYS 2 7.623 -10.361 -12.428 28 HZ3 LYS 2 2HZ LYS 2 8.064 -11.865 -11.779 29 H ALA 3 H ALA 3 7.180 -4.696 -14.032 30 HA ALA 3 HA ALA 3 4.933 -4.608 -12.235 31 HB1 ALA 3 1HB ALA 3 6.230 -3.125 -10.918 32 HB2 ALA 3 2HB ALA 3 5.168 -2.092 -11.874 33 HB3 ALA 3 3HB ALA 3 6.860 -2.287 -12.339 34 H LEU 4 H LEU 4 3.669 -5.055 -14.029 35 HA LEU 4 HA LEU 4 3.672 -3.023 -16.170 36 HB2 LEU 4 2HB LEU 4 2.008 -5.233 -16.869 37 HB3 LEU 4 1HB LEU 4 3.499 -4.702 -17.636 38 HG LEU 4 HG LEU 4 4.607 -5.964 -15.558 39 HD11 LEU 4 1HD1 LEU 4 2.837 -6.799 -14.327 40 HD12 LEU 4 2HD1 LEU 4 3.092 -8.148 -15.428 41 HD13 LEU 4 3HD1 LEU 4 1.801 -6.989 -15.738 42 HD21 LEU 4 3HD2 LEU 4 4.689 -8.022 -17.005 43 HD22 LEU 4 1HD2 LEU 4 5.070 -6.536 -17.873 44 HD23 LEU 4 2HD2 LEU 4 3.484 -7.281 -18.054 45 H LEU 5 H LEU 5 1.211 -5.247 -14.978 46 HA LEU 5 HA LEU 5 -0.973 -3.580 -15.335 47 HB2 LEU 5 2HB LEU 5 -1.332 -5.906 -14.823 48 HB3 LEU 5 1HB LEU 5 -0.476 -5.752 -13.291 49 HG LEU 5 HG LEU 5 -2.226 -4.172 -12.494 50 HD11 LEU 5 1HD1 LEU 5 -4.366 -4.128 -13.822 51 HD12 LEU 5 2HD1 LEU 5 -3.481 -4.866 -15.157 52 HD13 LEU 5 3HD1 LEU 5 -3.024 -3.267 -14.572 53 HD21 LEU 5 3HD2 LEU 5 -2.462 -6.506 -11.895 54 HD22 LEU 5 1HD2 LEU 5 -3.175 -6.887 -13.461 55 HD23 LEU 5 2HD2 LEU 5 -4.058 -5.882 -12.310 56 H ALA 6 H ALA 6 0.969 -4.090 -12.440 57 HA ALA 6 HA ALA 6 -0.261 -2.216 -10.771 58 HB1 ALA 6 1HB ALA 6 1.373 -3.887 -9.967 59 HB2 ALA 6 2HB ALA 6 1.795 -2.254 -9.457 60 HB3 ALA 6 3HB ALA 6 2.657 -3.006 -10.798 61 H LEU 7 H LEU 7 2.350 -1.865 -13.107 62 HA LEU 7 HA LEU 7 3.060 0.794 -12.556 63 HB2 LEU 7 2HB LEU 7 4.532 -0.299 -14.024 64 HB3 LEU 7 1HB LEU 7 3.225 -0.898 -15.036 65 HG LEU 7 HG LEU 7 2.749 1.468 -15.734 66 HD11 LEU 7 1HD1 LEU 7 3.727 3.177 -14.635 67 HD12 LEU 7 2HD1 LEU 7 5.322 2.564 -15.075 68 HD13 LEU 7 3HD1 LEU 7 4.550 2.021 -13.587 69 HD21 LEU 7 3HD2 LEU 7 4.507 1.535 -17.338 70 HD22 LEU 7 1HD2 LEU 7 4.282 -0.174 -16.968 71 HD23 LEU 7 2HD2 LEU 7 5.629 0.713 -16.255 72 H ALA 8 H ALA 8 0.664 -0.573 -14.717 73 HA ALA 8 HA ALA 8 -0.365 1.830 -15.762 74 HB1 ALA 8 1HB ALA 8 -1.976 0.506 -16.699 75 HB2 ALA 8 2HB ALA 8 -2.265 -0.376 -15.202 76 HB3 ALA 8 3HB ALA 8 -0.878 -0.783 -16.204 77 H LEU 9 H LEU 9 -1.458 -0.185 -13.112 78 HA LEU 9 HA LEU 9 -3.528 1.407 -12.137 79 HB2 LEU 9 2HB LEU 9 -1.857 -0.774 -11.054 80 HB3 LEU 9 1HB LEU 9 -2.638 0.258 -9.856 81 HG LEU 9 HG LEU 9 -4.784 -0.055 -11.268 82 HD11 LEU 9 1HD1 LEU 9 -3.039 -2.300 -12.299 83 HD12 LEU 9 2HD1 LEU 9 -3.798 -1.023 -13.247 84 HD13 LEU 9 3HD1 LEU 9 -4.791 -2.261 -12.479 85 HD21 LEU 9 3HD2 LEU 9 -3.561 -2.389 -9.766 86 HD22 LEU 9 1HD2 LEU 9 -5.277 -2.198 -10.123 87 HD23 LEU 9 2HD2 LEU 9 -4.466 -1.054 -9.053 88 H HIS 10 H HIS 10 -0.477 1.066 -10.363 89 HA HIS 10 HA HIS 10 -0.118 3.939 -10.160 90 HB2 HIS 10 2HB HIS 10 -1.962 3.224 -8.486 91 HB3 HIS 10 1HB HIS 10 -0.643 2.505 -7.568 92 HD1 HIS 10 1HD HIS 10 -1.233 4.369 -5.731 93 HD2 HIS 10 2HD HIS 10 0.345 5.813 -9.313 94 HE1 HIS 10 1HE HIS 10 -0.452 6.738 -5.270 95 HE2 HIS 10 2HE HIS 10 0.510 7.638 -7.449 96 H HIS 11 H HIS 11 1.491 1.658 -10.985 97 HA HIS 11 HA HIS 11 3.690 1.034 -10.871 98 HB2 HIS 11 2HB HIS 11 4.133 3.001 -8.641 99 HB3 HIS 11 1HB HIS 11 5.293 2.402 -9.814 100 HD1 HIS 11 1HD HIS 11 4.612 5.476 -9.384 101 HD2 HIS 11 2HD HIS 11 2.999 3.053 -12.375 102 HE1 HIS 11 1HE HIS 11 3.845 7.027 -11.246 103 HE2 HIS 11 2HE HIS 11 2.867 5.559 -13.072 104 H LEU 12 H LEU 12 3.645 1.875 -7.476 105 HA LEU 12 HA LEU 12 3.173 -0.875 -6.645 106 HB2 LEU 12 2HB LEU 12 5.817 0.550 -6.337 107 HB3 LEU 12 1HB LEU 12 5.337 -0.769 -5.270 108 HG LEU 12 HG LEU 12 5.399 -1.014 -8.288 109 HD11 LEU 12 1HD1 LEU 12 7.661 -0.616 -7.609 110 HD12 LEU 12 2HD1 LEU 12 7.500 -2.357 -7.809 111 HD13 LEU 12 3HD1 LEU 12 7.487 -1.654 -6.194 112 HD21 LEU 12 3HD2 LEU 12 3.982 -2.684 -7.340 113 HD22 LEU 12 1HD2 LEU 12 5.071 -2.935 -5.976 114 HD23 LEU 12 2HD2 LEU 12 5.532 -3.482 -7.587 115 H ALA 13 H ALA 13 4.391 2.263 -5.656 116 HA ALA 13 HA ALA 13 4.052 3.547 -3.774 117 HB1 ALA 13 1HB ALA 13 1.254 2.459 -4.191 118 HB2 ALA 13 2HB ALA 13 1.921 3.944 -4.879 119 HB3 ALA 13 3HB ALA 13 1.663 3.816 -3.138 120 H HIS 14 H HIS 14 1.446 1.874 -2.409 121 HA HIS 14 HA HIS 14 2.713 1.352 0.013 122 HB2 HIS 14 2HB HIS 14 0.144 0.746 -1.204 123 HB3 HIS 14 1HB HIS 14 0.691 -0.550 -0.144 124 HD1 HIS 14 1HD HIS 14 -1.228 0.214 1.552 125 HD2 HIS 14 2HD HIS 14 1.796 3.023 0.914 126 HE1 HIS 14 1HE HIS 14 -1.405 1.906 3.442 127 HE2 HIS 14 2HE HIS 14 0.442 3.626 3.064 128 H LEU 15 H LEU 15 2.780 -0.449 -2.908 129 HA LEU 15 HA LEU 15 3.823 -2.851 -1.568 130 HB2 LEU 15 2HB LEU 15 2.792 -2.170 -4.274 131 HB3 LEU 15 1HB LEU 15 4.050 -3.404 -4.194 132 HG LEU 15 HG LEU 15 1.587 -3.493 -2.428 133 HD11 LEU 15 1HD1 LEU 15 0.916 -5.315 -4.163 134 HD12 LEU 15 2HD1 LEU 15 2.018 -4.470 -5.249 135 HD13 LEU 15 3HD1 LEU 15 0.626 -3.625 -4.572 136 HD21 LEU 15 3HD2 LEU 15 2.688 -5.258 -1.544 137 HD22 LEU 15 1HD2 LEU 15 4.004 -5.058 -2.703 138 HD23 LEU 15 2HD2 LEU 15 2.609 -6.052 -3.114 139 H ALA 16 H ALA 16 4.890 0.060 -2.765 140 HA ALA 16 HA ALA 16 7.477 -0.932 -3.683 141 HB1 ALA 16 1HB ALA 16 7.449 1.908 -3.537 142 HB2 ALA 16 2HB ALA 16 5.909 1.386 -4.217 143 HB3 ALA 16 3HB ALA 16 7.419 0.885 -4.974 144 H LEU 17 H LEU 17 6.318 1.357 -1.225 145 HA LEU 17 HA LEU 17 8.507 2.261 -0.036 146 HB2 LEU 17 2HB LEU 17 7.419 2.093 2.184 147 HB3 LEU 17 1HB LEU 17 6.354 2.727 0.935 148 HG LEU 17 HG LEU 17 5.873 0.009 0.790 149 HD11 LEU 17 1HD1 LEU 17 5.344 0.002 3.538 150 HD12 LEU 17 2HD1 LEU 17 6.977 0.647 3.422 151 HD13 LEU 17 3HD1 LEU 17 6.607 -0.925 2.728 152 HD21 LEU 17 3HD2 LEU 17 4.315 2.039 0.874 153 HD22 LEU 17 1HD2 LEU 17 4.400 1.902 2.629 154 HD23 LEU 17 2HD2 LEU 17 3.725 0.584 1.677 155 H HIS 18 H HIS 18 7.270 -0.955 0.523 156 HA HIS 18 HA HIS 18 9.296 -1.842 2.293 157 HB2 HIS 18 2HB HIS 18 8.205 -3.764 0.279 158 HB3 HIS 18 1HB HIS 18 8.540 -3.998 1.988 159 HD1 HIS 18 1HD HIS 18 6.601 -3.699 3.586 160 HD2 HIS 18 2HD HIS 18 5.813 -2.160 -0.211 161 HE1 HIS 18 1HE HIS 18 4.150 -3.040 3.572 162 HE2 HIS 18 2HE HIS 18 3.661 -2.073 1.270 163 H LEU 19 H LEU 19 8.921 -2.620 -1.108 164 HA LEU 19 HA LEU 19 11.499 -3.675 -1.506 165 HB2 LEU 19 2HB LEU 19 9.519 -4.011 -3.001 166 HB3 LEU 19 1HB LEU 19 9.687 -2.345 -3.548 167 HG LEU 19 HG LEU 19 10.751 -4.239 -4.980 168 HD11 LEU 19 1HD1 LEU 19 12.948 -2.364 -4.509 169 HD12 LEU 19 2HD1 LEU 19 11.380 -1.560 -4.623 170 HD13 LEU 19 3HD1 LEU 19 11.941 -2.584 -5.942 171 HD21 LEU 19 3HD2 LEU 19 13.041 -3.933 -3.028 172 HD22 LEU 19 1HD2 LEU 19 12.848 -5.118 -4.319 173 HD23 LEU 19 2HD2 LEU 19 11.862 -5.237 -2.863 174 H ALA 20 H ALA 20 10.261 -0.478 -1.409 175 HA ALA 20 HA ALA 20 12.378 0.857 -2.769 176 HB1 ALA 20 1HB ALA 20 10.007 1.724 -1.988 177 HB2 ALA 20 2HB ALA 20 11.377 2.830 -2.110 178 HB3 ALA 20 3HB ALA 20 10.899 2.188 -0.536 179 H LEU 21 H LEU 21 11.649 0.563 0.673 180 HA LEU 21 HA LEU 21 14.036 1.650 1.641 181 HB2 LEU 21 2HB LEU 21 12.009 1.151 3.015 182 HB3 LEU 21 1HB LEU 21 12.414 -0.563 2.920 183 HG LEU 21 HG LEU 21 14.694 0.045 3.901 184 HD11 LEU 21 1HD1 LEU 21 14.761 2.192 5.154 185 HD12 LEU 21 2HD1 LEU 21 13.202 2.629 4.458 186 HD13 LEU 21 3HD1 LEU 21 14.615 2.460 3.415 187 HD21 LEU 21 3HD2 LEU 21 12.499 -0.785 5.133 188 HD22 LEU 21 1HD2 LEU 21 12.533 0.836 5.834 189 HD23 LEU 21 2HD2 LEU 21 13.898 -0.259 6.071 190 H ALA 22 H ALA 22 13.157 -1.666 0.896 191 HA ALA 22 HA ALA 22 15.480 -2.976 1.700 192 HB1 ALA 22 1HB ALA 22 14.845 -4.605 -0.210 193 HB2 ALA 22 2HB ALA 22 13.442 -3.561 -0.427 194 HB3 ALA 22 3HB ALA 22 13.706 -4.378 1.111 195 H LEU 23 H LEU 23 14.856 -1.095 -1.158 196 HA LEU 23 HA LEU 23 17.434 -1.871 -2.328 197 HB2 LEU 23 2HB LEU 23 14.890 -1.044 -3.402 198 HB3 LEU 23 1HB LEU 23 16.155 0.040 -3.969 199 HG LEU 23 HG LEU 23 15.905 -1.870 -5.501 200 HD11 LEU 23 1HD1 LEU 23 18.186 -0.805 -4.826 201 HD12 LEU 23 2HD1 LEU 23 18.201 -2.324 -5.725 202 HD13 LEU 23 3HD1 LEU 23 18.468 -2.324 -3.982 203 HD21 LEU 23 3HD2 LEU 23 15.071 -3.498 -3.820 204 HD22 LEU 23 1HD2 LEU 23 16.671 -3.547 -3.084 205 HD23 LEU 23 2HD2 LEU 23 16.436 -4.146 -4.724 206 H LYS 24 H LYS 24 15.663 0.975 -1.307 207 HA LYS 24 HA LYS 24 17.668 2.879 -1.870 208 HB2 LYS 24 2HB LYS 24 15.288 2.832 -0.036 209 HB3 LYS 24 1HB LYS 24 16.408 4.196 -0.017 210 HG2 LYS 24 2HG LYS 24 15.909 4.806 -2.233 211 HG3 LYS 24 1HG LYS 24 15.279 3.206 -2.630 212 HD2 LYS 24 2HD LYS 24 13.513 5.024 -2.329 213 HD3 LYS 24 1HD LYS 24 13.280 3.569 -1.364 214 HE2 LYS 24 2HE LYS 24 12.963 5.760 -0.105 215 HE3 LYS 24 1HE LYS 24 14.109 4.640 0.623 216 HZ1 LYS 24 3HZ LYS 24 15.637 6.228 0.495 217 HZ2 LYS 24 1HZ LYS 24 14.548 7.266 -0.288 218 HZ3 LYS 24 2HZ LYS 24 15.517 6.213 -1.198 219 H LYS 25 H LYS 25 16.691 1.596 1.273 220 HA LYS 25 HA LYS 25 19.334 2.295 2.346 221 HB2 LYS 25 2HB LYS 25 16.735 2.514 3.377 222 HB3 LYS 25 1HB LYS 25 17.484 1.203 4.285 223 HG2 LYS 25 2HG LYS 25 19.538 2.877 4.390 224 HG3 LYS 25 1HG LYS 25 18.296 4.087 4.093 225 HD2 LYS 25 2HD LYS 25 18.501 3.899 6.476 226 HD3 LYS 25 1HD LYS 25 17.000 3.092 6.033 227 HE2 LYS 25 2HE LYS 25 18.315 1.770 7.660 228 HE3 LYS 25 1HE LYS 25 18.099 0.910 6.141 229 HZ1 LYS 25 3HZ LYS 25 20.314 0.636 6.318 230 HZ2 LYS 25 1HZ LYS 25 20.513 1.981 7.342 231 HZ3 LYS 25 2HZ LYS 25 20.383 2.212 5.666 232 H ALA 26 H ALA 26 19.521 0.557 4.427 233 HA ALA 26 HA ALA 26 19.249 -2.179 3.541 234 HB1 ALA 26 1HB ALA 26 22.010 -0.971 3.852 235 HB2 ALA 26 2HB ALA 26 21.282 -1.449 2.317 236 HB3 ALA 26 3HB ALA 26 21.650 -2.667 3.539 Start of MODEL 9 1 H1 LYS 1 1HT LYS 1 15.272 4.806 -12.855 2 H2 LYS 1 2HT LYS 1 15.987 3.302 -12.526 3 H3 LYS 1 3HT LYS 1 14.717 3.866 -11.560 4 HA LYS 1 HA LYS 1 13.254 3.804 -13.540 5 HB2 LYS 1 2HB LYS 1 15.502 3.693 -14.989 6 HB3 LYS 1 1HB LYS 1 15.246 1.958 -14.799 7 HG2 LYS 1 2HG LYS 1 12.725 2.732 -15.451 8 HG3 LYS 1 1HG LYS 1 13.659 3.954 -16.319 9 HD2 LYS 1 2HD LYS 1 15.073 1.969 -17.195 10 HD3 LYS 1 1HD LYS 1 13.744 0.947 -16.637 11 HE2 LYS 1 2HE LYS 1 13.758 3.019 -18.814 12 HE3 LYS 1 1HE LYS 1 13.126 1.377 -18.848 13 HZ1 LYS 1 2HZ LYS 1 11.945 3.461 -17.105 14 HZ2 LYS 1 3HZ LYS 1 11.261 1.990 -17.615 15 HZ3 LYS 1 1HZ LYS 1 11.456 3.259 -18.716 16 H LYS 2 H LYS 2 13.311 2.720 -11.053 17 HA LYS 2 HA LYS 2 12.921 -0.175 -11.527 18 HB2 LYS 2 2HB LYS 2 14.633 1.061 -9.659 19 HB3 LYS 2 1HB LYS 2 13.257 0.484 -8.721 20 HG2 LYS 2 2HG LYS 2 14.924 -1.297 -8.849 21 HG3 LYS 2 1HG LYS 2 13.517 -1.761 -9.809 22 HD2 LYS 2 2HD LYS 2 14.635 -1.038 -11.866 23 HD3 LYS 2 1HD LYS 2 16.021 -0.469 -10.936 24 HE2 LYS 2 2HE LYS 2 15.977 -2.896 -12.068 25 HE3 LYS 2 1HE LYS 2 16.799 -2.609 -10.538 26 HZ1 LYS 2 3HZ LYS 2 15.216 -4.549 -10.614 27 HZ2 LYS 2 1HZ LYS 2 13.955 -3.421 -10.689 28 HZ3 LYS 2 2HZ LYS 2 14.983 -3.458 -9.338 29 H ALA 3 H ALA 3 11.901 2.504 -9.402 30 HA ALA 3 HA ALA 3 9.439 1.247 -8.667 31 HB1 ALA 3 1HB ALA 3 8.857 3.442 -7.730 32 HB2 ALA 3 2HB ALA 3 10.227 4.170 -8.568 33 HB3 ALA 3 3HB ALA 3 10.503 2.992 -7.285 34 H LEU 4 H LEU 4 9.559 0.944 -11.335 35 HA LEU 4 HA LEU 4 8.036 3.044 -12.649 36 HB2 LEU 4 2HB LEU 4 9.915 1.723 -13.766 37 HB3 LEU 4 1HB LEU 4 8.804 0.356 -13.790 38 HG LEU 4 HG LEU 4 7.762 2.948 -14.842 39 HD11 LEU 4 1HD1 LEU 4 8.765 2.230 -17.111 40 HD12 LEU 4 2HD1 LEU 4 9.914 1.292 -16.161 41 HD13 LEU 4 3HD1 LEU 4 9.834 3.044 -15.969 42 HD21 LEU 4 3HD2 LEU 4 6.260 1.094 -14.897 43 HD22 LEU 4 1HD2 LEU 4 7.508 0.006 -15.500 44 HD23 LEU 4 2HD2 LEU 4 6.848 1.262 -16.550 45 H LEU 5 H LEU 5 7.608 -0.461 -12.574 46 HA LEU 5 HA LEU 5 4.947 -0.587 -13.230 47 HB2 LEU 5 2HB LEU 5 5.266 -2.577 -11.258 48 HB3 LEU 5 1HB LEU 5 5.410 -2.767 -13.000 49 HG LEU 5 HG LEU 5 7.728 -1.765 -11.333 50 HD11 LEU 5 1HD1 LEU 5 7.237 -4.650 -12.123 51 HD12 LEU 5 2HD1 LEU 5 6.862 -4.018 -10.519 52 HD13 LEU 5 3HD1 LEU 5 8.527 -4.021 -11.099 53 HD21 LEU 5 3HD2 LEU 5 7.416 -1.772 -14.008 54 HD22 LEU 5 1HD2 LEU 5 7.977 -3.429 -13.802 55 HD23 LEU 5 2HD2 LEU 5 8.978 -2.087 -13.251 56 H ALA 6 H ALA 6 6.348 -0.200 -10.033 57 HA ALA 6 HA ALA 6 4.023 -0.194 -8.489 58 HB1 ALA 6 1HB ALA 6 6.652 1.249 -8.141 59 HB2 ALA 6 2HB ALA 6 6.083 -0.197 -7.305 60 HB3 ALA 6 3HB ALA 6 5.356 1.370 -6.957 61 H LEU 7 H LEU 7 5.627 2.409 -10.208 62 HA LEU 7 HA LEU 7 4.033 4.563 -9.431 63 HB2 LEU 7 2HB LEU 7 6.171 4.354 -11.026 64 HB3 LEU 7 1HB LEU 7 4.929 4.405 -12.275 65 HG LEU 7 HG LEU 7 5.233 6.448 -10.051 66 HD11 LEU 7 1HD1 LEU 7 6.990 7.073 -11.380 67 HD12 LEU 7 2HD1 LEU 7 5.706 7.806 -12.341 68 HD13 LEU 7 3HD1 LEU 7 6.356 6.230 -12.795 69 HD21 LEU 7 3HD2 LEU 7 3.673 7.733 -11.647 70 HD22 LEU 7 1HD2 LEU 7 2.947 6.421 -10.728 71 HD23 LEU 7 2HD2 LEU 7 3.368 6.179 -12.421 72 H ALA 8 H ALA 8 3.807 2.717 -12.421 73 HA ALA 8 HA ALA 8 1.315 3.587 -13.303 74 HB1 ALA 8 1HB ALA 8 3.146 1.773 -14.207 75 HB2 ALA 8 2HB ALA 8 1.529 1.960 -14.879 76 HB3 ALA 8 3HB ALA 8 1.843 0.708 -13.678 77 H LEU 9 H LEU 9 2.120 0.733 -11.425 78 HA LEU 9 HA LEU 9 -0.293 -0.399 -10.908 79 HB2 LEU 9 2HB LEU 9 1.914 -1.194 -10.036 80 HB3 LEU 9 1HB LEU 9 1.819 0.053 -8.794 81 HG LEU 9 HG LEU 9 -0.307 -0.923 -7.979 82 HD11 LEU 9 1HD1 LEU 9 -0.442 -3.452 -9.009 83 HD12 LEU 9 2HD1 LEU 9 0.059 -2.540 -10.431 84 HD13 LEU 9 3HD1 LEU 9 -1.423 -2.100 -9.578 85 HD21 LEU 9 3HD2 LEU 9 2.211 -1.802 -7.465 86 HD22 LEU 9 1HD2 LEU 9 1.497 -3.290 -8.084 87 HD23 LEU 9 2HD2 LEU 9 0.784 -2.487 -6.686 88 H HIS 10 H HIS 10 1.130 1.937 -8.646 89 HA HIS 10 HA HIS 10 -1.373 3.369 -8.387 90 HB2 HIS 10 2HB HIS 10 -1.137 1.137 -6.787 91 HB3 HIS 10 1HB HIS 10 -0.560 2.425 -5.729 92 HD1 HIS 10 1HD HIS 10 -3.456 0.820 -5.777 93 HD2 HIS 10 2HD HIS 10 -2.675 4.788 -6.832 94 HE1 HIS 10 1HE HIS 10 -5.647 2.075 -5.539 95 HE2 HIS 10 2HE HIS 10 -5.188 4.494 -6.169 96 H HIS 11 H HIS 11 1.142 4.214 -9.191 97 HA HIS 11 HA HIS 11 2.746 5.805 -8.813 98 HB2 HIS 11 2HB HIS 11 1.070 7.048 -6.680 99 HB3 HIS 11 1HB HIS 11 1.957 7.802 -8.001 100 HD1 HIS 11 1HD HIS 11 -1.273 7.903 -7.218 101 HD2 HIS 11 2HD HIS 11 0.533 6.023 -10.479 102 HE1 HIS 11 1HE HIS 11 -3.056 7.665 -9.006 103 HE2 HIS 11 2HE HIS 11 -1.969 6.541 -10.995 104 H LEU 12 H LEU 12 1.443 5.753 -5.552 105 HA LEU 12 HA LEU 12 4.085 5.468 -4.406 106 HB2 LEU 12 2HB LEU 12 1.611 5.135 -2.758 107 HB3 LEU 12 1HB LEU 12 3.109 5.980 -2.376 108 HG LEU 12 HG LEU 12 0.971 6.947 -4.305 109 HD11 LEU 12 1HD1 LEU 12 0.348 7.132 -1.922 110 HD12 LEU 12 2HD1 LEU 12 0.649 8.722 -2.624 111 HD13 LEU 12 3HD1 LEU 12 1.865 7.969 -1.597 112 HD21 LEU 12 3HD2 LEU 12 3.498 8.332 -3.346 113 HD22 LEU 12 1HD2 LEU 12 2.326 8.960 -4.507 114 HD23 LEU 12 2HD2 LEU 12 3.326 7.573 -4.928 115 H ALA 13 H ALA 13 1.303 3.564 -5.138 116 HA ALA 13 HA ALA 13 0.887 1.320 -5.140 117 HB1 ALA 13 1HB ALA 13 3.490 1.543 -5.953 118 HB2 ALA 13 2HB ALA 13 2.554 0.051 -5.947 119 HB3 ALA 13 3HB ALA 13 3.616 0.429 -4.593 120 H HIS 14 H HIS 14 3.222 2.223 -2.678 121 HA HIS 14 HA HIS 14 3.229 1.879 -0.406 122 HB2 HIS 14 2HB HIS 14 1.222 1.766 0.551 123 HB3 HIS 14 1HB HIS 14 0.504 1.519 -1.030 124 HD1 HIS 14 1HD HIS 14 0.562 0.040 2.186 125 HD2 HIS 14 2HD HIS 14 0.718 -1.506 -1.691 126 HE1 HIS 14 1HE HIS 14 -0.158 -2.392 2.343 127 HE2 HIS 14 2HE HIS 14 -0.054 -3.350 -0.009 128 H LEU 15 H LEU 15 2.606 -0.632 -2.669 129 HA LEU 15 HA LEU 15 3.803 -2.752 -1.085 130 HB2 LEU 15 2HB LEU 15 2.758 -2.441 -3.873 131 HB3 LEU 15 1HB LEU 15 3.913 -3.735 -3.556 132 HG LEU 15 HG LEU 15 1.414 -3.320 -1.896 133 HD11 LEU 15 1HD1 LEU 15 1.845 -5.250 -4.193 134 HD12 LEU 15 2HD1 LEU 15 0.843 -3.800 -4.271 135 HD13 LEU 15 3HD1 LEU 15 0.396 -5.127 -3.195 136 HD21 LEU 15 3HD2 LEU 15 3.632 -5.319 -2.019 137 HD22 LEU 15 1HD2 LEU 15 2.014 -5.919 -1.660 138 HD23 LEU 15 2HD2 LEU 15 2.753 -4.704 -0.619 139 H ALA 16 H ALA 16 4.768 -0.047 -2.675 140 HA ALA 16 HA ALA 16 7.313 -1.032 -3.658 141 HB1 ALA 16 1HB ALA 16 6.142 1.748 -3.536 142 HB2 ALA 16 2HB ALA 16 6.203 0.692 -4.948 143 HB3 ALA 16 3HB ALA 16 7.694 1.347 -4.270 144 H LEU 17 H LEU 17 6.153 1.141 -1.127 145 HA LEU 17 HA LEU 17 8.379 2.164 -0.019 146 HB2 LEU 17 2HB LEU 17 7.258 2.362 2.011 147 HB3 LEU 17 1HB LEU 17 5.935 2.180 0.869 148 HG LEU 17 HG LEU 17 6.169 -0.372 1.418 149 HD11 LEU 17 1HD1 LEU 17 7.570 -0.953 3.079 150 HD12 LEU 17 2HD1 LEU 17 6.817 0.213 4.163 151 HD13 LEU 17 3HD1 LEU 17 8.154 0.708 3.128 152 HD21 LEU 17 3HD2 LEU 17 4.547 -0.111 3.236 153 HD22 LEU 17 1HD2 LEU 17 4.221 1.074 1.973 154 HD23 LEU 17 2HD2 LEU 17 5.039 1.565 3.457 155 H HIS 18 H HIS 18 7.258 -1.102 0.386 156 HA HIS 18 HA HIS 18 9.301 -2.044 2.109 157 HB2 HIS 18 2HB HIS 18 8.048 -3.760 -0.021 158 HB3 HIS 18 1HB HIS 18 8.592 -4.219 1.584 159 HD1 HIS 18 1HD HIS 18 6.983 -3.821 3.552 160 HD2 HIS 18 2HD HIS 18 5.566 -2.354 -0.082 161 HE1 HIS 18 1HE HIS 18 4.556 -3.182 3.937 162 HE2 HIS 18 2HE HIS 18 3.678 -2.272 1.726 163 H LEU 19 H LEU 19 8.910 -2.608 -1.334 164 HA LEU 19 HA LEU 19 11.477 -3.615 -1.848 165 HB2 LEU 19 2HB LEU 19 9.918 -3.984 -3.548 166 HB3 LEU 19 1HB LEU 19 9.327 -2.326 -3.501 167 HG LEU 19 HG LEU 19 12.188 -2.703 -4.261 168 HD11 LEU 19 1HD1 LEU 19 11.646 -3.300 -6.555 169 HD12 LEU 19 2HD1 LEU 19 9.923 -3.302 -6.184 170 HD13 LEU 19 3HD1 LEU 19 10.978 -4.526 -5.480 171 HD21 LEU 19 3HD2 LEU 19 11.540 -0.468 -4.406 172 HD22 LEU 19 1HD2 LEU 19 9.893 -0.868 -4.896 173 HD23 LEU 19 2HD2 LEU 19 11.216 -1.003 -6.052 174 H ALA 20 H ALA 20 10.235 -0.414 -1.530 175 HA ALA 20 HA ALA 20 12.387 1.014 -2.705 176 HB1 ALA 20 1HB ALA 20 10.056 1.902 -2.037 177 HB2 ALA 20 2HB ALA 20 11.440 2.963 -1.780 178 HB3 ALA 20 3HB ALA 20 10.739 2.085 -0.422 179 H LEU 21 H LEU 21 11.599 0.593 0.711 180 HA LEU 21 HA LEU 21 13.933 1.572 1.820 181 HB2 LEU 21 2HB LEU 21 11.806 -0.268 2.684 182 HB3 LEU 21 1HB LEU 21 13.342 -0.468 3.530 183 HG LEU 21 HG LEU 21 13.369 1.975 3.999 184 HD11 LEU 21 1HD1 LEU 21 10.661 2.664 3.630 185 HD12 LEU 21 2HD1 LEU 21 11.155 1.913 2.119 186 HD13 LEU 21 3HD1 LEU 21 12.044 3.301 2.738 187 HD21 LEU 21 3HD2 LEU 21 12.518 0.568 5.736 188 HD22 LEU 21 1HD2 LEU 21 10.988 0.335 4.893 189 HD23 LEU 21 2HD2 LEU 21 11.374 1.905 5.598 190 H ALA 22 H ALA 22 13.207 -1.776 1.010 191 HA ALA 22 HA ALA 22 15.557 -3.005 1.755 192 HB1 ALA 22 1HB ALA 22 14.996 -4.442 -0.453 193 HB2 ALA 22 2HB ALA 22 13.470 -3.574 -0.276 194 HB3 ALA 22 3HB ALA 22 14.070 -4.582 1.042 195 H LEU 23 H LEU 23 14.888 -1.325 -1.256 196 HA LEU 23 HA LEU 23 17.587 -1.856 -2.239 197 HB2 LEU 23 2HB LEU 23 15.072 -0.759 -3.404 198 HB3 LEU 23 1HB LEU 23 16.602 -0.281 -4.140 199 HG LEU 23 HG LEU 23 17.204 -2.716 -4.310 200 HD11 LEU 23 1HD1 LEU 23 15.986 -4.237 -3.198 201 HD12 LEU 23 2HD1 LEU 23 14.576 -3.817 -4.172 202 HD13 LEU 23 3HD1 LEU 23 14.881 -2.978 -2.656 203 HD21 LEU 23 3HD2 LEU 23 16.070 -1.356 -6.148 204 HD22 LEU 23 1HD2 LEU 23 14.561 -2.127 -5.661 205 HD23 LEU 23 2HD2 LEU 23 15.895 -3.109 -6.267 206 H LYS 24 H LYS 24 15.590 0.906 -1.388 207 HA LYS 24 HA LYS 24 17.489 2.901 -1.922 208 HB2 LYS 24 2HB LYS 24 15.099 3.375 -1.615 209 HB3 LYS 24 1HB LYS 24 15.235 2.950 0.091 210 HG2 LYS 24 2HG LYS 24 17.137 4.992 -0.965 211 HG3 LYS 24 1HG LYS 24 15.458 5.482 -0.770 212 HD2 LYS 24 2HD LYS 24 15.554 5.416 1.498 213 HD3 LYS 24 1HD LYS 24 16.537 3.958 1.518 214 HE2 LYS 24 2HE LYS 24 17.412 6.822 1.297 215 HE3 LYS 24 1HE LYS 24 17.994 5.564 2.380 216 HZ1 LYS 24 1HZ LYS 24 18.580 5.920 -0.500 217 HZ2 LYS 24 2HZ LYS 24 18.828 4.426 0.277 218 HZ3 LYS 24 3HZ LYS 24 19.666 5.806 0.794 219 H LYS 25 H LYS 25 16.718 1.267 1.127 220 HA LYS 25 HA LYS 25 18.439 2.670 2.790 221 HB2 LYS 25 2HB LYS 25 16.773 0.914 3.510 222 HB3 LYS 25 1HB LYS 25 17.945 -0.306 3.003 223 HG2 LYS 25 2HG LYS 25 18.934 1.870 4.798 224 HG3 LYS 25 1HG LYS 25 17.880 0.651 5.514 225 HD2 LYS 25 2HD LYS 25 19.362 -1.140 4.705 226 HD3 LYS 25 1HD LYS 25 20.413 0.056 3.949 227 HE2 LYS 25 2HE LYS 25 19.795 0.002 6.916 228 HE3 LYS 25 1HE LYS 25 21.217 -0.751 6.200 229 HZ1 LYS 25 3HZ LYS 25 20.524 2.122 5.919 230 HZ2 LYS 25 1HZ LYS 25 21.948 1.369 5.370 231 HZ3 LYS 25 2HZ LYS 25 21.632 1.503 7.039 232 H ALA 26 H ALA 26 20.556 2.768 3.071 233 HA ALA 26 HA ALA 26 22.311 0.621 2.240 234 HB1 ALA 26 1HB ALA 26 22.861 1.465 0.231 235 HB2 ALA 26 2HB ALA 26 23.516 2.883 1.043 236 HB3 ALA 26 3HB ALA 26 21.840 2.875 0.493 Start of MODEL 10 1 H1 LYS 1 1HT LYS 1 16.640 -7.460 -11.998 2 H2 LYS 1 2HT LYS 1 15.950 -6.841 -10.575 3 H3 LYS 1 3HT LYS 1 16.856 -5.829 -11.589 4 HA LYS 1 HA LYS 1 15.229 -5.848 -13.261 5 HB2 LYS 1 2HB LYS 1 13.042 -7.239 -12.425 6 HB3 LYS 1 1HB LYS 1 14.238 -7.879 -13.545 7 HG2 LYS 1 2HG LYS 1 14.213 -9.589 -12.005 8 HG3 LYS 1 1HG LYS 1 15.455 -8.592 -11.270 9 HD2 LYS 1 2HD LYS 1 13.959 -7.710 -9.655 10 HD3 LYS 1 1HD LYS 1 12.541 -8.227 -10.570 11 HE2 LYS 1 2HE LYS 1 14.521 -10.012 -9.119 12 HE3 LYS 1 1HE LYS 1 12.832 -9.738 -8.694 13 HZ1 LYS 1 2HZ LYS 1 12.349 -10.599 -11.035 14 HZ2 LYS 1 3HZ LYS 1 12.802 -11.731 -9.859 15 HZ3 LYS 1 1HZ LYS 1 13.930 -11.210 -11.009 16 H LYS 2 H LYS 2 13.801 -4.194 -13.153 17 HA LYS 2 HA LYS 2 13.035 -3.266 -10.457 18 HB2 LYS 2 2HB LYS 2 13.724 -1.871 -13.014 19 HB3 LYS 2 1HB LYS 2 12.617 -1.082 -11.890 20 HG2 LYS 2 2HG LYS 2 15.216 -2.236 -10.886 21 HG3 LYS 2 1HG LYS 2 15.202 -0.659 -11.677 22 HD2 LYS 2 2HD LYS 2 13.061 -0.486 -9.919 23 HD3 LYS 2 1HD LYS 2 14.249 -1.412 -9.005 24 HE2 LYS 2 2HE LYS 2 14.491 1.363 -10.146 25 HE3 LYS 2 1HE LYS 2 14.801 0.818 -8.500 26 HZ1 LYS 2 3HZ LYS 2 16.572 0.934 -10.720 27 HZ2 LYS 2 1HZ LYS 2 16.524 -0.633 -10.077 28 HZ3 LYS 2 2HZ LYS 2 16.918 0.680 -9.080 29 H ALA 3 H ALA 3 11.847 -3.658 -13.793 30 HA ALA 3 HA ALA 3 9.709 -3.766 -14.661 31 HB1 ALA 3 1HB ALA 3 8.893 -4.768 -11.921 32 HB2 ALA 3 2HB ALA 3 9.739 -5.784 -13.093 33 HB3 ALA 3 3HB ALA 3 8.144 -5.136 -13.475 34 H LEU 4 H LEU 4 10.598 -1.339 -13.451 35 HA LEU 4 HA LEU 4 8.824 -0.062 -11.745 36 HB2 LEU 4 2HB LEU 4 10.800 0.742 -13.771 37 HB3 LEU 4 1HB LEU 4 9.526 1.929 -13.500 38 HG LEU 4 HG LEU 4 11.048 0.639 -11.233 39 HD11 LEU 4 1HD1 LEU 4 12.666 1.779 -12.669 40 HD12 LEU 4 2HD1 LEU 4 12.420 2.705 -11.190 41 HD13 LEU 4 3HD1 LEU 4 11.659 3.230 -12.691 42 HD21 LEU 4 3HD2 LEU 4 10.233 3.221 -10.570 43 HD22 LEU 4 1HD2 LEU 4 9.454 1.721 -10.073 44 HD23 LEU 4 2HD2 LEU 4 8.883 2.579 -11.505 45 H LEU 5 H LEU 5 8.905 0.249 -15.226 46 HA LEU 5 HA LEU 5 6.536 1.570 -15.671 47 HB2 LEU 5 2HB LEU 5 7.454 -0.697 -17.442 48 HB3 LEU 5 1HB LEU 5 6.556 0.741 -17.915 49 HG LEU 5 HG LEU 5 8.686 1.348 -18.585 50 HD11 LEU 5 1HD1 LEU 5 9.052 2.158 -15.707 51 HD12 LEU 5 2HD1 LEU 5 7.765 2.862 -16.684 52 HD13 LEU 5 3HD1 LEU 5 9.448 3.055 -17.172 53 HD21 LEU 5 3HD2 LEU 5 10.296 0.530 -16.277 54 HD22 LEU 5 1HD2 LEU 5 10.555 0.225 -17.994 55 HD23 LEU 5 2HD2 LEU 5 9.491 -0.828 -17.063 56 H ALA 6 H ALA 6 7.048 -1.882 -15.322 57 HA ALA 6 HA ALA 6 4.356 -2.678 -15.692 58 HB1 ALA 6 1HB ALA 6 5.297 -4.712 -15.588 59 HB2 ALA 6 2HB ALA 6 5.679 -4.457 -13.883 60 HB3 ALA 6 3HB ALA 6 6.826 -3.963 -15.124 61 H LEU 7 H LEU 7 6.288 -2.009 -12.829 62 HA LEU 7 HA LEU 7 4.302 -2.507 -10.892 63 HB2 LEU 7 2HB LEU 7 6.645 -2.245 -10.265 64 HB3 LEU 7 1HB LEU 7 6.631 -0.576 -10.828 65 HG LEU 7 HG LEU 7 4.572 -1.348 -8.804 66 HD11 LEU 7 1HD1 LEU 7 6.399 -0.723 -7.054 67 HD12 LEU 7 2HD1 LEU 7 7.536 -1.194 -8.318 68 HD13 LEU 7 3HD1 LEU 7 6.374 -2.368 -7.696 69 HD21 LEU 7 3HD2 LEU 7 6.171 1.066 -9.607 70 HD22 LEU 7 1HD2 LEU 7 5.508 0.985 -7.971 71 HD23 LEU 7 2HD2 LEU 7 4.432 0.912 -9.367 72 H ALA 8 H ALA 8 5.441 0.567 -12.181 73 HA ALA 8 HA ALA 8 3.607 2.334 -11.150 74 HB1 ALA 8 1HB ALA 8 4.473 2.389 -14.042 75 HB2 ALA 8 2HB ALA 8 5.544 2.841 -12.717 76 HB3 ALA 8 3HB ALA 8 4.071 3.762 -13.010 77 H LEU 9 H LEU 9 3.345 0.487 -14.099 78 HA LEU 9 HA LEU 9 0.758 1.229 -14.870 79 HB2 LEU 9 2HB LEU 9 2.231 0.015 -16.368 80 HB3 LEU 9 1HB LEU 9 2.236 -1.378 -15.291 81 HG LEU 9 HG LEU 9 -0.386 -0.334 -16.311 82 HD11 LEU 9 1HD1 LEU 9 -0.177 -1.782 -18.294 83 HD12 LEU 9 2HD1 LEU 9 1.486 -2.154 -17.846 84 HD13 LEU 9 3HD1 LEU 9 1.045 -0.512 -18.306 85 HD21 LEU 9 3HD2 LEU 9 -0.912 -2.110 -14.984 86 HD22 LEU 9 1HD2 LEU 9 0.710 -2.791 -15.079 87 HD23 LEU 9 2HD2 LEU 9 -0.441 -3.065 -16.388 88 H HIS 10 H HIS 10 1.796 -1.679 -13.169 89 HA HIS 10 HA HIS 10 -0.687 -2.732 -12.501 90 HB2 HIS 10 2HB HIS 10 1.613 -3.776 -12.173 91 HB3 HIS 10 1HB HIS 10 1.720 -2.839 -10.682 92 HD1 HIS 10 1HD HIS 10 -0.421 -5.507 -12.328 93 HD2 HIS 10 2HD HIS 10 0.258 -3.900 -8.534 94 HE1 HIS 10 1HE HIS 10 -1.657 -6.988 -10.682 95 HE2 HIS 10 2HE HIS 10 -1.276 -6.009 -8.371 96 H HIS 11 H HIS 11 1.337 -0.514 -10.661 97 HA HIS 11 HA HIS 11 -0.758 1.041 -9.628 98 HB2 HIS 11 2HB HIS 11 -0.763 0.338 -7.262 99 HB3 HIS 11 1HB HIS 11 -1.369 -0.936 -8.315 100 HD1 HIS 11 1HD HIS 11 -0.353 -1.903 -5.696 101 HD2 HIS 11 2HD HIS 11 2.241 -1.305 -8.906 102 HE1 HIS 11 1HE HIS 11 1.681 -3.339 -5.248 103 HE2 HIS 11 2HE HIS 11 3.280 -2.978 -7.193 104 H LEU 12 H LEU 12 1.037 0.870 -6.926 105 HA LEU 12 HA LEU 12 3.531 1.936 -7.824 106 HB2 LEU 12 2HB LEU 12 1.343 3.763 -7.703 107 HB3 LEU 12 1HB LEU 12 2.462 4.156 -6.402 108 HG LEU 12 HG LEU 12 3.541 3.593 -9.151 109 HD11 LEU 12 1HD1 LEU 12 2.127 6.087 -8.217 110 HD12 LEU 12 2HD1 LEU 12 1.991 5.251 -9.766 111 HD13 LEU 12 3HD1 LEU 12 3.438 6.187 -9.392 112 HD21 LEU 12 3HD2 LEU 12 4.964 3.892 -7.043 113 HD22 LEU 12 1HD2 LEU 12 4.447 5.577 -7.050 114 HD23 LEU 12 2HD2 LEU 12 5.374 4.934 -8.404 115 H ALA 13 H ALA 13 1.558 2.975 -5.113 116 HA ALA 13 HA ALA 13 3.666 2.481 -3.252 117 HB1 ALA 13 1HB ALA 13 1.977 4.281 -2.981 118 HB2 ALA 13 2HB ALA 13 2.101 3.239 -1.565 119 HB3 ALA 13 3HB ALA 13 0.752 3.048 -2.685 120 H HIS 14 H HIS 14 2.642 1.458 -1.069 121 HA HIS 14 HA HIS 14 2.073 -0.414 0.113 122 HB2 HIS 14 2HB HIS 14 0.878 -1.341 -2.510 123 HB3 HIS 14 1HB HIS 14 0.653 -2.101 -0.946 124 HD1 HIS 14 1HD HIS 14 -1.426 -0.409 -2.958 125 HD2 HIS 14 2HD HIS 14 0.004 0.636 0.824 126 HE1 HIS 14 1HE HIS 14 -3.060 1.284 -2.016 127 HE2 HIS 14 2HE HIS 14 -2.183 1.963 0.279 128 H LEU 15 H LEU 15 3.179 -0.965 -3.114 129 HA LEU 15 HA LEU 15 4.860 -3.205 -2.158 130 HB2 LEU 15 2HB LEU 15 3.462 -2.614 -4.665 131 HB3 LEU 15 1HB LEU 15 5.116 -3.179 -4.889 132 HG LEU 15 HG LEU 15 3.003 -4.591 -3.221 133 HD11 LEU 15 1HD1 LEU 15 3.780 -4.738 -6.067 134 HD12 LEU 15 2HD1 LEU 15 2.296 -5.272 -5.281 135 HD13 LEU 15 3HD1 LEU 15 3.730 -6.296 -5.245 136 HD21 LEU 15 3HD2 LEU 15 5.918 -5.086 -3.789 137 HD22 LEU 15 1HD2 LEU 15 4.838 -6.454 -3.514 138 HD23 LEU 15 2HD2 LEU 15 5.040 -5.228 -2.264 139 H ALA 16 H ALA 16 4.985 -0.005 -2.809 140 HA ALA 16 HA ALA 16 7.678 -0.028 -3.946 141 HB1 ALA 16 1HB ALA 16 7.398 2.477 -3.913 142 HB2 ALA 16 2HB ALA 16 5.753 2.209 -3.336 143 HB3 ALA 16 3HB ALA 16 6.244 1.606 -4.917 144 H LEU 17 H LEU 17 6.169 1.616 -1.213 145 HA LEU 17 HA LEU 17 8.249 2.695 0.093 146 HB2 LEU 17 2HB LEU 17 6.992 1.845 2.251 147 HB3 LEU 17 1HB LEU 17 6.272 3.059 1.199 148 HG LEU 17 HG LEU 17 5.682 0.334 0.303 149 HD11 LEU 17 1HD1 LEU 17 4.094 -0.154 2.157 150 HD12 LEU 17 2HD1 LEU 17 4.755 1.214 3.051 151 HD13 LEU 17 3HD1 LEU 17 5.776 -0.177 2.693 152 HD21 LEU 17 3HD2 LEU 17 3.334 1.338 0.501 153 HD22 LEU 17 1HD2 LEU 17 4.442 2.175 -0.586 154 HD23 LEU 17 2HD2 LEU 17 4.119 2.827 1.021 155 H HIS 18 H HIS 18 7.068 -0.473 0.923 156 HA HIS 18 HA HIS 18 9.142 -1.257 2.598 157 HB2 HIS 18 2HB HIS 18 8.234 -3.421 2.475 158 HB3 HIS 18 1HB HIS 18 6.894 -2.351 2.093 159 HD1 HIS 18 1HD HIS 18 8.672 -5.219 0.763 160 HD2 HIS 18 2HD HIS 18 6.542 -2.000 -0.821 161 HE1 HIS 18 1HE HIS 18 8.144 -5.824 -1.641 162 HE2 HIS 18 2HE HIS 18 6.839 -3.875 -2.622 163 H LEU 19 H LEU 19 8.784 -1.766 -0.847 164 HA LEU 19 HA LEU 19 11.244 -3.176 -1.172 165 HB2 LEU 19 2HB LEU 19 9.493 -3.462 -2.824 166 HB3 LEU 19 1HB LEU 19 9.455 -1.731 -3.147 167 HG LEU 19 HG LEU 19 11.885 -1.916 -3.858 168 HD11 LEU 19 1HD1 LEU 19 12.271 -4.098 -2.684 169 HD12 LEU 19 2HD1 LEU 19 12.760 -4.116 -4.380 170 HD13 LEU 19 3HD1 LEU 19 11.248 -4.879 -3.890 171 HD21 LEU 19 3HD2 LEU 19 11.257 -2.337 -6.042 172 HD22 LEU 19 1HD2 LEU 19 9.669 -2.093 -5.318 173 HD23 LEU 19 2HD2 LEU 19 10.264 -3.728 -5.603 174 H ALA 20 H ALA 20 10.210 0.109 -1.171 175 HA ALA 20 HA ALA 20 12.408 1.344 -2.418 176 HB1 ALA 20 1HB ALA 20 10.187 2.410 -1.618 177 HB2 ALA 20 2HB ALA 20 11.657 3.374 -1.491 178 HB3 ALA 20 3HB ALA 20 11.000 2.579 -0.061 179 H LEU 21 H LEU 21 11.800 0.816 1.024 180 HA LEU 21 HA LEU 21 14.301 1.642 1.981 181 HB2 LEU 21 2HB LEU 21 12.398 -0.466 3.029 182 HB3 LEU 21 1HB LEU 21 13.803 0.118 3.923 183 HG LEU 21 HG LEU 21 11.779 2.070 2.840 184 HD11 LEU 21 1HD1 LEU 21 10.666 0.215 4.213 185 HD12 LEU 21 2HD1 LEU 21 10.416 1.868 4.770 186 HD13 LEU 21 3HD1 LEU 21 11.583 0.833 5.589 187 HD21 LEU 21 3HD2 LEU 21 13.793 2.017 5.109 188 HD22 LEU 21 1HD2 LEU 21 12.569 3.279 4.958 189 HD23 LEU 21 2HD2 LEU 21 13.783 3.074 3.698 190 H ALA 22 H ALA 22 13.122 -1.581 1.190 191 HA ALA 22 HA ALA 22 15.472 -3.013 1.597 192 HB1 ALA 22 1HB ALA 22 13.479 -3.639 -0.576 193 HB2 ALA 22 2HB ALA 22 13.167 -3.959 1.130 194 HB3 ALA 22 3HB ALA 22 14.502 -4.770 0.312 195 H LEU 23 H LEU 23 14.260 -1.559 -1.377 196 HA LEU 23 HA LEU 23 16.504 -2.277 -2.961 197 HB2 LEU 23 2HB LEU 23 14.320 -1.702 -3.937 198 HB3 LEU 23 1HB LEU 23 14.507 -0.041 -3.377 199 HG LEU 23 HG LEU 23 16.764 -1.145 -4.964 200 HD11 LEU 23 1HD1 LEU 23 14.119 -0.407 -6.252 201 HD12 LEU 23 2HD1 LEU 23 14.787 -2.037 -6.160 202 HD13 LEU 23 3HD1 LEU 23 15.613 -0.795 -7.102 203 HD21 LEU 23 3HD2 LEU 23 17.206 1.067 -4.880 204 HD22 LEU 23 1HD2 LEU 23 15.608 1.422 -4.228 205 HD23 LEU 23 2HD2 LEU 23 15.844 1.321 -5.972 206 H LYS 24 H LYS 24 15.574 0.740 -1.370 207 HA LYS 24 HA LYS 24 17.811 2.260 -2.118 208 HB2 LYS 24 2HB LYS 24 15.716 3.114 -0.962 209 HB3 LYS 24 1HB LYS 24 16.393 2.490 0.541 210 HG2 LYS 24 2HG LYS 24 18.520 3.852 -0.171 211 HG3 LYS 24 1HG LYS 24 17.388 4.729 -1.197 212 HD2 LYS 24 2HD LYS 24 16.757 5.949 0.581 213 HD3 LYS 24 1HD LYS 24 16.148 4.488 1.351 214 HE2 LYS 24 2HE LYS 24 17.835 5.700 2.744 215 HE3 LYS 24 1HE LYS 24 18.321 4.052 2.352 216 HZ1 LYS 24 3HZ LYS 24 20.075 5.774 2.054 217 HZ2 LYS 24 1HZ LYS 24 19.163 6.424 0.785 218 HZ3 LYS 24 2HZ LYS 24 19.773 4.846 0.666 219 H LYS 25 H LYS 25 17.243 0.290 0.748 220 HA LYS 25 HA LYS 25 19.829 0.675 1.878 221 HB2 LYS 25 2HB LYS 25 17.933 -0.080 3.230 222 HB3 LYS 25 1HB LYS 25 17.824 -1.564 2.286 223 HG2 LYS 25 2HG LYS 25 20.493 -0.968 3.455 224 HG3 LYS 25 1HG LYS 25 19.221 -1.390 4.603 225 HD2 LYS 25 2HD LYS 25 19.084 -3.545 3.865 226 HD3 LYS 25 1HD LYS 25 19.359 -3.098 2.183 227 HE2 LYS 25 2HE LYS 25 21.493 -3.190 4.328 228 HE3 LYS 25 1HE LYS 25 21.227 -4.431 3.107 229 HZ1 LYS 25 3HZ LYS 25 22.911 -2.399 2.787 230 HZ2 LYS 25 1HZ LYS 25 21.520 -1.721 2.101 231 HZ3 LYS 25 2HZ LYS 25 22.133 -3.183 1.490 232 H ALA 26 H ALA 26 18.377 -2.022 0.076 233 HA ALA 26 HA ALA 26 19.265 -3.604 -1.301 234 HB1 ALA 26 1HB ALA 26 21.843 -2.038 -1.308 235 HB2 ALA 26 2HB ALA 26 20.446 -1.566 -2.272 236 HB3 ALA 26 3HB ALA 26 21.221 -3.122 -2.553 Start of MODEL 11 1 H1 LYS 1 1HT LYS 1 15.567 -10.837 -3.736 2 H2 LYS 1 2HT LYS 1 15.718 -9.703 -2.486 3 H3 LYS 1 3HT LYS 1 15.245 -9.201 -4.030 4 HA LYS 1 HA LYS 1 13.319 -10.928 -3.603 5 HB2 LYS 1 2HB LYS 1 14.566 -10.353 -0.986 6 HB3 LYS 1 1HB LYS 1 12.823 -10.088 -1.030 7 HG2 LYS 1 2HG LYS 1 12.372 -12.301 -1.189 8 HG3 LYS 1 1HG LYS 1 13.644 -12.565 -2.378 9 HD2 LYS 1 2HD LYS 1 15.335 -12.502 -0.543 10 HD3 LYS 1 1HD LYS 1 14.021 -12.329 0.624 11 HE2 LYS 1 2HE LYS 1 14.668 -14.703 -1.131 12 HE3 LYS 1 1HE LYS 1 14.469 -14.654 0.619 13 HZ1 LYS 1 2HZ LYS 1 12.099 -13.938 0.107 14 HZ2 LYS 1 3HZ LYS 1 12.495 -15.562 -0.166 15 HZ3 LYS 1 1HZ LYS 1 12.390 -14.489 -1.474 16 H LYS 2 H LYS 2 11.243 -9.760 -2.876 17 HA LYS 2 HA LYS 2 9.826 -7.962 -3.048 18 HB2 LYS 2 2HB LYS 2 12.293 -6.285 -2.503 19 HB3 LYS 2 1HB LYS 2 10.615 -5.762 -2.366 20 HG2 LYS 2 2HG LYS 2 11.019 -8.201 -0.862 21 HG3 LYS 2 1HG LYS 2 12.175 -6.972 -0.351 22 HD2 LYS 2 2HD LYS 2 10.495 -5.482 0.317 23 HD3 LYS 2 1HD LYS 2 9.275 -6.240 -0.709 24 HE2 LYS 2 2HE LYS 2 9.230 -6.673 1.891 25 HE3 LYS 2 1HE LYS 2 8.930 -8.007 0.779 26 HZ1 LYS 2 3HZ LYS 2 11.634 -7.361 1.794 27 HZ2 LYS 2 1HZ LYS 2 11.116 -8.784 1.032 28 HZ3 LYS 2 2HZ LYS 2 10.587 -8.430 2.606 29 H ALA 3 H ALA 3 12.962 -7.138 -4.566 30 HA ALA 3 HA ALA 3 11.830 -5.574 -6.654 31 HB1 ALA 3 1HB ALA 3 14.131 -5.232 -6.158 32 HB2 ALA 3 2HB ALA 3 14.091 -5.978 -7.755 33 HB3 ALA 3 3HB ALA 3 14.503 -6.943 -6.340 34 H LEU 4 H LEU 4 10.199 -7.675 -6.654 35 HA LEU 4 HA LEU 4 10.662 -8.870 -9.282 36 HB2 LEU 4 2HB LEU 4 10.596 -10.394 -6.720 37 HB3 LEU 4 1HB LEU 4 9.686 -11.069 -8.073 38 HG LEU 4 HG LEU 4 12.539 -10.144 -8.430 39 HD11 LEU 4 1HD1 LEU 4 11.551 -12.845 -7.466 40 HD12 LEU 4 2HD1 LEU 4 12.652 -11.759 -6.622 41 HD13 LEU 4 3HD1 LEU 4 13.171 -12.562 -8.105 42 HD21 LEU 4 3HD2 LEU 4 12.473 -11.581 -10.358 43 HD22 LEU 4 1HD2 LEU 4 10.972 -10.652 -10.383 44 HD23 LEU 4 2HD2 LEU 4 10.963 -12.323 -9.829 45 H LEU 5 H LEU 5 8.415 -9.875 -6.793 46 HA LEU 5 HA LEU 5 6.110 -9.751 -8.318 47 HB2 LEU 5 2HB LEU 5 5.308 -9.032 -5.703 48 HB3 LEU 5 1HB LEU 5 5.300 -10.642 -6.417 49 HG LEU 5 HG LEU 5 7.795 -9.466 -5.170 50 HD11 LEU 5 1HD1 LEU 5 5.915 -9.527 -3.509 51 HD12 LEU 5 2HD1 LEU 5 7.242 -10.616 -3.107 52 HD13 LEU 5 3HD1 LEU 5 5.759 -11.256 -3.816 53 HD21 LEU 5 3HD2 LEU 5 7.240 -11.801 -6.651 54 HD22 LEU 5 1HD2 LEU 5 7.378 -12.327 -4.976 55 HD23 LEU 5 2HD2 LEU 5 8.707 -11.455 -5.739 56 H ALA 6 H ALA 6 7.463 -7.306 -6.177 57 HA ALA 6 HA ALA 6 5.537 -5.315 -6.556 58 HB1 ALA 6 1HB ALA 6 7.207 -3.745 -5.768 59 HB2 ALA 6 2HB ALA 6 8.503 -4.881 -6.132 60 HB3 ALA 6 3HB ALA 6 7.356 -5.235 -4.841 61 H LEU 7 H LEU 7 8.376 -6.179 -8.424 62 HA LEU 7 HA LEU 7 8.193 -3.987 -10.258 63 HB2 LEU 7 2HB LEU 7 10.328 -4.954 -10.201 64 HB3 LEU 7 1HB LEU 7 9.690 -6.596 -10.201 65 HG LEU 7 HG LEU 7 8.901 -6.245 -12.552 66 HD11 LEU 7 1HD1 LEU 7 9.623 -4.318 -13.796 67 HD12 LEU 7 2HD1 LEU 7 10.574 -3.723 -12.437 68 HD13 LEU 7 3HD1 LEU 7 8.811 -3.725 -12.353 69 HD21 LEU 7 3HD2 LEU 7 11.827 -5.901 -11.873 70 HD22 LEU 7 1HD2 LEU 7 11.270 -6.141 -13.529 71 HD23 LEU 7 2HD2 LEU 7 10.980 -7.384 -12.314 72 H ALA 8 H ALA 8 7.094 -7.299 -10.191 73 HA ALA 8 HA ALA 8 5.974 -7.393 -12.798 74 HB1 ALA 8 1HB ALA 8 4.745 -9.358 -11.975 75 HB2 ALA 8 2HB ALA 8 5.218 -8.960 -10.325 76 HB3 ALA 8 3HB ALA 8 6.444 -9.423 -11.504 77 H LEU 9 H LEU 9 4.349 -7.191 -9.674 78 HA LEU 9 HA LEU 9 1.818 -6.483 -10.733 79 HB2 LEU 9 2HB LEU 9 1.650 -7.311 -8.573 80 HB3 LEU 9 1HB LEU 9 3.083 -6.452 -8.020 81 HG LEU 9 HG LEU 9 1.782 -4.294 -8.232 82 HD11 LEU 9 1HD1 LEU 9 -0.636 -4.421 -8.448 83 HD12 LEU 9 2HD1 LEU 9 -0.578 -6.182 -8.496 84 HD13 LEU 9 3HD1 LEU 9 0.080 -5.241 -9.836 85 HD21 LEU 9 3HD2 LEU 9 0.906 -4.522 -6.091 86 HD22 LEU 9 1HD2 LEU 9 1.985 -5.916 -6.147 87 HD23 LEU 9 2HD2 LEU 9 0.256 -6.126 -6.415 88 H HIS 10 H HIS 10 4.580 -4.666 -9.678 89 HA HIS 10 HA HIS 10 5.148 -2.553 -10.677 90 HB2 HIS 10 2HB HIS 10 2.926 -2.436 -11.874 91 HB3 HIS 10 1HB HIS 10 2.238 -1.793 -10.381 92 HD1 HIS 10 1HD HIS 10 2.038 0.149 -12.537 93 HD2 HIS 10 2HD HIS 10 5.607 -0.230 -10.410 94 HE1 HIS 10 1HE HIS 10 3.304 2.325 -12.853 95 HE2 HIS 10 2HE HIS 10 5.480 2.112 -11.558 96 H HIS 11 H HIS 11 6.294 -1.714 -9.117 97 HA HIS 11 HA HIS 11 5.500 -1.595 -6.393 98 HB2 HIS 11 2HB HIS 11 7.576 0.198 -6.584 99 HB3 HIS 11 1HB HIS 11 7.768 -1.542 -6.378 100 HD1 HIS 11 1HD HIS 11 7.639 1.096 -9.103 101 HD2 HIS 11 2HD HIS 11 8.903 -2.849 -8.575 102 HE1 HIS 11 1HE HIS 11 8.858 0.436 -11.229 103 HE2 HIS 11 2HE HIS 11 9.632 -1.968 -10.922 104 H LEU 12 H LEU 12 3.466 -0.455 -7.728 105 HA LEU 12 HA LEU 12 3.710 2.459 -7.486 106 HB2 LEU 12 2HB LEU 12 2.635 1.443 -9.497 107 HB3 LEU 12 1HB LEU 12 1.394 0.763 -8.447 108 HG LEU 12 HG LEU 12 1.421 3.429 -7.696 109 HD11 LEU 12 1HD1 LEU 12 2.908 3.557 -9.901 110 HD12 LEU 12 2HD1 LEU 12 1.716 4.802 -9.535 111 HD13 LEU 12 3HD1 LEU 12 1.331 3.521 -10.683 112 HD21 LEU 12 3HD2 LEU 12 -0.665 2.385 -7.954 113 HD22 LEU 12 1HD2 LEU 12 -0.264 1.761 -9.555 114 HD23 LEU 12 2HD2 LEU 12 -0.638 3.471 -9.342 115 H ALA 13 H ALA 13 2.070 -0.316 -6.155 116 HA ALA 13 HA ALA 13 0.508 1.260 -4.281 117 HB1 ALA 13 1HB ALA 13 0.828 -1.734 -4.202 118 HB2 ALA 13 2HB ALA 13 -0.211 -0.956 -5.396 119 HB3 ALA 13 3HB ALA 13 -0.542 -0.753 -3.677 120 H HIS 14 H HIS 14 0.520 -0.035 -1.994 121 HA HIS 14 HA HIS 14 2.523 0.951 -0.434 122 HB2 HIS 14 2HB HIS 14 0.866 -1.541 -0.128 123 HB3 HIS 14 1HB HIS 14 1.955 -0.968 1.126 124 HD1 HIS 14 1HD HIS 14 -0.481 -0.721 2.415 125 HD2 HIS 14 2HD HIS 14 0.364 2.049 -0.592 126 HE1 HIS 14 1HE HIS 14 -2.088 1.209 2.734 127 HE2 HIS 14 2HE HIS 14 -1.590 2.901 0.910 128 H LEU 15 H LEU 15 2.574 -2.023 -2.230 129 HA LEU 15 HA LEU 15 4.759 -3.333 -1.107 130 HB2 LEU 15 2HB LEU 15 3.461 -3.322 -3.780 131 HB3 LEU 15 1HB LEU 15 5.109 -3.949 -3.709 132 HG LEU 15 HG LEU 15 3.095 -4.839 -1.664 133 HD11 LEU 15 1HD1 LEU 15 3.282 -5.665 -4.549 134 HD12 LEU 15 2HD1 LEU 15 1.845 -5.437 -3.555 135 HD13 LEU 15 3HD1 LEU 15 2.854 -6.864 -3.332 136 HD21 LEU 15 3HD2 LEU 15 5.616 -5.954 -2.920 137 HD22 LEU 15 1HD2 LEU 15 4.548 -6.935 -1.921 138 HD23 LEU 15 2HD2 LEU 15 5.347 -5.527 -1.232 139 H ALA 16 H ALA 16 4.562 -0.400 -2.724 140 HA ALA 16 HA ALA 16 7.100 -0.258 -3.918 141 HB1 ALA 16 1HB ALA 16 5.197 1.196 -4.490 142 HB2 ALA 16 2HB ALA 16 6.634 2.128 -4.071 143 HB3 ALA 16 3HB ALA 16 5.323 1.959 -2.906 144 H LEU 17 H LEU 17 5.953 1.432 -1.029 145 HA LEU 17 HA LEU 17 8.219 2.560 -0.106 146 HB2 LEU 17 2HB LEU 17 7.361 2.434 2.153 147 HB3 LEU 17 1HB LEU 17 6.035 2.735 1.036 148 HG LEU 17 HG LEU 17 6.009 0.017 1.104 149 HD11 LEU 17 1HD1 LEU 17 6.232 0.426 3.997 150 HD12 LEU 17 2HD1 LEU 17 7.773 0.650 3.165 151 HD13 LEU 17 3HD1 LEU 17 6.892 -0.866 3.000 152 HD21 LEU 17 3HD2 LEU 17 4.089 0.255 2.595 153 HD22 LEU 17 1HD2 LEU 17 4.116 1.599 1.449 154 HD23 LEU 17 2HD2 LEU 17 4.658 1.843 3.111 155 H HIS 18 H HIS 18 7.281 -0.760 0.474 156 HA HIS 18 HA HIS 18 9.524 -1.529 2.021 157 HB2 HIS 18 2HB HIS 18 8.292 -3.382 -0.005 158 HB3 HIS 18 1HB HIS 18 9.010 -3.773 1.549 159 HD1 HIS 18 1HD HIS 18 7.479 -3.741 3.582 160 HD2 HIS 18 2HD HIS 18 5.725 -2.116 0.171 161 HE1 HIS 18 1HE HIS 18 5.048 -3.317 4.166 162 HE2 HIS 18 2HE HIS 18 3.943 -2.352 2.085 163 H LEU 19 H LEU 19 8.902 -2.047 -1.388 164 HA LEU 19 HA LEU 19 11.421 -2.956 -2.148 165 HB2 LEU 19 2HB LEU 19 9.681 -3.237 -3.704 166 HB3 LEU 19 1HB LEU 19 9.180 -1.553 -3.584 167 HG LEU 19 HG LEU 19 11.963 -2.000 -4.537 168 HD11 LEU 19 1HD1 LEU 19 10.821 -3.830 -5.697 169 HD12 LEU 19 2HD1 LEU 19 11.195 -2.539 -6.838 170 HD13 LEU 19 3HD1 LEU 19 9.552 -2.729 -6.225 171 HD21 LEU 19 3HD2 LEU 19 11.218 0.236 -4.576 172 HD22 LEU 19 1HD2 LEU 19 9.620 -0.210 -5.174 173 HD23 LEU 19 2HD2 LEU 19 11.017 -0.288 -6.251 174 H ALA 20 H ALA 20 10.202 0.213 -1.522 175 HA ALA 20 HA ALA 20 12.329 1.677 -2.758 176 HB1 ALA 20 1HB ALA 20 11.315 3.578 -1.919 177 HB2 ALA 20 2HB ALA 20 10.844 2.788 -0.414 178 HB3 ALA 20 3HB ALA 20 9.952 2.461 -1.901 179 H LEU 21 H LEU 21 11.587 1.174 0.660 180 HA LEU 21 HA LEU 21 14.081 2.042 1.632 181 HB2 LEU 21 2HB LEU 21 11.880 0.340 2.754 182 HB3 LEU 21 1HB LEU 21 13.405 0.472 3.629 183 HG LEU 21 HG LEU 21 13.047 3.071 3.188 184 HD11 LEU 21 1HD1 LEU 21 11.080 2.964 1.835 185 HD12 LEU 21 2HD1 LEU 21 10.565 3.559 3.413 186 HD13 LEU 21 3HD1 LEU 21 10.276 1.877 2.972 187 HD21 LEU 21 3HD2 LEU 21 11.367 2.837 5.317 188 HD22 LEU 21 1HD2 LEU 21 13.116 2.660 5.425 189 HD23 LEU 21 2HD2 LEU 21 12.091 1.228 5.297 190 H ALA 22 H ALA 22 12.847 -1.180 0.948 191 HA ALA 22 HA ALA 22 15.088 -2.677 1.677 192 HB1 ALA 22 1HB ALA 22 13.228 -3.324 -0.615 193 HB2 ALA 22 2HB ALA 22 12.831 -3.602 1.081 194 HB3 ALA 22 3HB ALA 22 14.181 -4.460 0.338 195 H LEU 23 H LEU 23 14.365 -0.986 -1.318 196 HA LEU 23 HA LEU 23 16.423 -2.045 -2.892 197 HB2 LEU 23 2HB LEU 23 14.687 -0.686 -3.900 198 HB3 LEU 23 1HB LEU 23 15.169 0.705 -2.936 199 HG LEU 23 HG LEU 23 17.345 0.769 -4.067 200 HD11 LEU 23 1HD1 LEU 23 17.673 -1.610 -4.497 201 HD12 LEU 23 2HD1 LEU 23 17.738 -0.739 -6.025 202 HD13 LEU 23 3HD1 LEU 23 16.285 -1.635 -5.586 203 HD21 LEU 23 3HD2 LEU 23 15.667 2.079 -5.147 204 HD22 LEU 23 1HD2 LEU 23 14.896 0.651 -5.837 205 HD23 LEU 23 2HD2 LEU 23 16.467 1.181 -6.437 206 H LYS 24 H LYS 24 16.382 0.813 -0.811 207 HA LYS 24 HA LYS 24 19.126 1.468 -1.173 208 HB2 LYS 24 2HB LYS 24 17.115 2.118 0.985 209 HB3 LYS 24 1HB LYS 24 18.801 2.614 1.118 210 HG2 LYS 24 2HG LYS 24 18.075 4.473 0.013 211 HG3 LYS 24 1HG LYS 24 18.265 3.450 -1.411 212 HD2 LYS 24 2HD LYS 24 15.687 3.030 -0.087 213 HD3 LYS 24 1HD LYS 24 15.906 4.700 -0.605 214 HE2 LYS 24 2HE LYS 24 16.402 2.310 -2.396 215 HE3 LYS 24 1HE LYS 24 14.886 3.210 -2.361 216 HZ1 LYS 24 3HZ LYS 24 17.090 3.824 -3.857 217 HZ2 LYS 24 1HZ LYS 24 17.150 4.931 -2.576 218 HZ3 LYS 24 2HZ LYS 24 15.766 4.844 -3.550 219 H LYS 25 H LYS 25 17.442 0.026 1.556 220 HA LYS 25 HA LYS 25 19.334 -2.094 1.898 221 HB2 LYS 25 2HB LYS 25 19.595 -0.965 4.436 222 HB3 LYS 25 1HB LYS 25 20.846 -1.066 3.207 223 HG2 LYS 25 2HG LYS 25 20.792 1.222 3.823 224 HG3 LYS 25 1HG LYS 25 19.909 1.169 2.306 225 HD2 LYS 25 2HD LYS 25 17.774 1.185 3.490 226 HD3 LYS 25 1HD LYS 25 18.603 1.075 5.041 227 HE2 LYS 25 2HE LYS 25 18.352 3.412 3.182 228 HE3 LYS 25 1HE LYS 25 18.214 3.359 4.938 229 HZ1 LYS 25 3HZ LYS 25 20.584 3.056 5.107 230 HZ2 LYS 25 1HZ LYS 25 20.254 4.444 4.196 231 HZ3 LYS 25 2HZ LYS 25 20.744 3.019 3.414 232 H ALA 26 H ALA 26 17.711 -0.345 4.471 233 HA ALA 26 HA ALA 26 15.281 -1.795 4.442 234 HB1 ALA 26 1HB ALA 26 16.394 -3.736 5.175 235 HB2 ALA 26 2HB ALA 26 15.829 -3.006 6.678 236 HB3 ALA 26 3HB ALA 26 17.510 -2.821 6.189 Start of MODEL 12 1 H1 LYS 1 1HT LYS 1 -1.991 20.957 -7.684 2 H2 LYS 1 2HT LYS 1 -1.775 19.331 -8.120 3 H3 LYS 1 3HT LYS 1 -2.332 19.732 -6.568 4 HA LYS 1 HA LYS 1 -4.429 20.203 -7.259 5 HB2 LYS 1 2HB LYS 1 -4.875 20.715 -9.718 6 HB3 LYS 1 1HB LYS 1 -3.975 21.931 -8.822 7 HG2 LYS 1 2HG LYS 1 -2.186 21.705 -10.177 8 HG3 LYS 1 1HG LYS 1 -2.170 19.958 -9.954 9 HD2 LYS 1 2HD LYS 1 -4.215 19.993 -11.595 10 HD3 LYS 1 1HD LYS 1 -3.581 21.571 -12.052 11 HE2 LYS 1 2HE LYS 1 -2.352 18.864 -12.402 12 HE3 LYS 1 1HE LYS 1 -2.421 20.213 -13.532 13 HZ1 LYS 1 2HZ LYS 1 -0.774 20.174 -11.051 14 HZ2 LYS 1 3HZ LYS 1 -0.780 21.381 -12.250 15 HZ3 LYS 1 1HZ LYS 1 -0.187 19.833 -12.606 16 H LYS 2 H LYS 2 -5.737 18.516 -7.419 17 HA LYS 2 HA LYS 2 -6.446 16.362 -7.755 18 HB2 LYS 2 2HB LYS 2 -5.427 16.978 -10.538 19 HB3 LYS 2 1HB LYS 2 -6.540 15.676 -10.120 20 HG2 LYS 2 2HG LYS 2 -8.294 17.085 -10.110 21 HG3 LYS 2 1HG LYS 2 -7.466 18.191 -9.015 22 HD2 LYS 2 2HD LYS 2 -7.510 19.613 -10.800 23 HD3 LYS 2 1HD LYS 2 -6.109 18.686 -11.334 24 HE2 LYS 2 2HE LYS 2 -8.998 18.285 -12.165 25 HE3 LYS 2 1HE LYS 2 -7.644 18.767 -13.191 26 HZ1 LYS 2 3HZ LYS 2 -6.644 16.535 -12.391 27 HZ2 LYS 2 1HZ LYS 2 -7.804 16.527 -13.626 28 HZ3 LYS 2 2HZ LYS 2 -8.253 16.131 -12.039 29 H ALA 3 H ALA 3 -4.212 15.765 -10.286 30 HA ALA 3 HA ALA 3 -3.319 13.325 -9.434 31 HB1 ALA 3 1HB ALA 3 -1.915 15.349 -11.177 32 HB2 ALA 3 2HB ALA 3 -2.999 14.061 -11.700 33 HB3 ALA 3 3HB ALA 3 -1.421 13.666 -11.021 34 H LEU 4 H LEU 4 -2.885 13.573 -7.143 35 HA LEU 4 HA LEU 4 -0.053 13.939 -6.673 36 HB2 LEU 4 2HB LEU 4 -2.103 15.823 -5.646 37 HB3 LEU 4 1HB LEU 4 -0.919 15.250 -4.471 38 HG LEU 4 HG LEU 4 0.440 15.896 -6.934 39 HD11 LEU 4 1HD1 LEU 4 -1.521 17.933 -5.886 40 HD12 LEU 4 2HD1 LEU 4 -1.194 17.468 -7.557 41 HD13 LEU 4 3HD1 LEU 4 -0.020 18.435 -6.665 42 HD21 LEU 4 3HD2 LEU 4 1.777 17.267 -5.470 43 HD22 LEU 4 1HD2 LEU 4 1.331 15.818 -4.565 44 HD23 LEU 4 2HD2 LEU 4 0.490 17.341 -4.268 45 H LEU 5 H LEU 5 -2.518 14.082 -4.232 46 HA LEU 5 HA LEU 5 -1.591 11.830 -2.815 47 HB2 LEU 5 2HB LEU 5 -4.117 13.442 -2.797 48 HB3 LEU 5 1HB LEU 5 -4.094 11.905 -1.933 49 HG LEU 5 HG LEU 5 -2.125 12.655 -0.645 50 HD11 LEU 5 1HD1 LEU 5 -2.511 15.222 -2.212 51 HD12 LEU 5 2HD1 LEU 5 -1.129 14.129 -2.327 52 HD13 LEU 5 3HD1 LEU 5 -1.426 15.029 -0.841 53 HD21 LEU 5 3HD2 LEU 5 -4.205 13.122 0.401 54 HD22 LEU 5 1HD2 LEU 5 -4.570 14.433 -0.718 55 HD23 LEU 5 2HD2 LEU 5 -3.308 14.635 0.499 56 H ALA 6 H ALA 6 -4.530 12.209 -4.691 57 HA ALA 6 HA ALA 6 -5.304 9.537 -4.844 58 HB1 ALA 6 1HB ALA 6 -6.806 10.208 -6.527 59 HB2 ALA 6 2HB ALA 6 -5.724 11.478 -7.104 60 HB3 ALA 6 3HB ALA 6 -6.569 11.666 -5.568 61 H LEU 7 H LEU 7 -2.901 11.314 -6.629 62 HA LEU 7 HA LEU 7 -2.591 9.526 -8.805 63 HB2 LEU 7 2HB LEU 7 -1.594 11.713 -8.987 64 HB3 LEU 7 1HB LEU 7 -0.652 11.462 -7.525 65 HG LEU 7 HG LEU 7 0.474 9.510 -8.701 66 HD11 LEU 7 1HD1 LEU 7 -0.991 10.750 -11.040 67 HD12 LEU 7 2HD1 LEU 7 -1.148 9.101 -10.436 68 HD13 LEU 7 3HD1 LEU 7 0.352 9.622 -11.200 69 HD21 LEU 7 3HD2 LEU 7 1.456 11.823 -8.463 70 HD22 LEU 7 1HD2 LEU 7 0.815 12.195 -10.064 71 HD23 LEU 7 2HD2 LEU 7 2.030 10.933 -9.874 72 H ALA 8 H ALA 8 -0.672 9.926 -5.869 73 HA ALA 8 HA ALA 8 0.938 7.660 -6.094 74 HB1 ALA 8 1HB ALA 8 -0.231 8.798 -3.548 75 HB2 ALA 8 2HB ALA 8 1.190 9.452 -4.369 76 HB3 ALA 8 3HB ALA 8 1.233 7.822 -3.687 77 H LEU 9 H LEU 9 -2.091 8.089 -4.389 78 HA LEU 9 HA LEU 9 -2.527 5.487 -3.523 79 HB2 LEU 9 2HB LEU 9 -3.874 7.525 -2.903 80 HB3 LEU 9 1HB LEU 9 -4.665 7.410 -4.468 81 HG LEU 9 HG LEU 9 -5.734 6.305 -2.291 82 HD11 LEU 9 1HD1 LEU 9 -5.645 4.972 -5.018 83 HD12 LEU 9 2HD1 LEU 9 -6.757 6.240 -4.508 84 HD13 LEU 9 3HD1 LEU 9 -6.846 4.642 -3.772 85 HD21 LEU 9 3HD2 LEU 9 -3.598 4.920 -1.981 86 HD22 LEU 9 1HD2 LEU 9 -4.137 3.974 -3.375 87 HD23 LEU 9 2HD2 LEU 9 -5.124 4.045 -1.917 88 H HIS 10 H HIS 10 -3.481 7.005 -6.566 89 HA HIS 10 HA HIS 10 -4.957 5.035 -7.745 90 HB2 HIS 10 2HB HIS 10 -4.882 6.636 -9.314 91 HB3 HIS 10 1HB HIS 10 -3.372 7.277 -8.678 92 HD1 HIS 10 1HD HIS 10 -4.546 4.354 -10.852 93 HD2 HIS 10 2HD HIS 10 -1.210 6.810 -10.347 94 HE1 HIS 10 1HE HIS 10 -2.914 3.748 -12.697 95 HE2 HIS 10 2HE HIS 10 -0.879 5.234 -12.403 96 H HIS 11 H HIS 11 -1.487 5.104 -7.342 97 HA HIS 11 HA HIS 11 -0.923 2.839 -8.983 98 HB2 HIS 11 2HB HIS 11 0.676 4.026 -6.701 99 HB3 HIS 11 1HB HIS 11 1.277 2.830 -7.848 100 HD1 HIS 11 1HD HIS 11 0.351 3.870 -10.512 101 HD2 HIS 11 2HD HIS 11 1.785 6.400 -7.519 102 HE1 HIS 11 1HE HIS 11 1.122 5.996 -11.674 103 HE2 HIS 11 2HE HIS 11 2.057 7.528 -9.861 104 H LEU 12 H LEU 12 -1.937 3.271 -5.706 105 HA LEU 12 HA LEU 12 -2.682 1.795 -4.108 106 HB2 LEU 12 2HB LEU 12 -3.799 0.495 -5.816 107 HB3 LEU 12 1HB LEU 12 -2.280 -0.227 -6.328 108 HG LEU 12 HG LEU 12 -2.044 -1.329 -4.136 109 HD11 LEU 12 1HD1 LEU 12 -4.332 -1.247 -2.784 110 HD12 LEU 12 2HD1 LEU 12 -4.466 0.332 -3.558 111 HD13 LEU 12 3HD1 LEU 12 -3.080 -0.031 -2.528 112 HD21 LEU 12 3HD2 LEU 12 -3.289 -3.055 -4.898 113 HD22 LEU 12 1HD2 LEU 12 -3.845 -1.968 -6.169 114 HD23 LEU 12 2HD2 LEU 12 -4.793 -2.157 -4.695 115 H ALA 13 H ALA 13 0.141 1.110 -5.919 116 HA ALA 13 HA ALA 13 1.931 -0.404 -5.250 117 HB1 ALA 13 1HB ALA 13 2.148 2.430 -4.255 118 HB2 ALA 13 2HB ALA 13 2.801 1.735 -5.738 119 HB3 ALA 13 3HB ALA 13 3.504 1.304 -4.178 120 H HIS 14 H HIS 14 2.428 1.519 -2.488 121 HA HIS 14 HA HIS 14 2.511 1.103 -0.234 122 HB2 HIS 14 2HB HIS 14 0.281 -0.592 -1.113 123 HB3 HIS 14 1HB HIS 14 1.134 -1.223 0.292 124 HD1 HIS 14 1HD HIS 14 -0.521 -0.578 2.108 125 HD2 HIS 14 2HD HIS 14 0.513 2.637 -0.343 126 HE1 HIS 14 1HE HIS 14 -1.510 1.497 3.183 127 HE2 HIS 14 2HE HIS 14 -0.884 3.466 1.703 128 H LEU 15 H LEU 15 3.005 -1.406 -2.526 129 HA LEU 15 HA LEU 15 4.686 -3.027 -0.808 130 HB2 LEU 15 2HB LEU 15 3.670 -4.318 -2.478 131 HB3 LEU 15 1HB LEU 15 3.859 -3.063 -3.701 132 HG LEU 15 HG LEU 15 6.372 -3.461 -3.581 133 HD11 LEU 15 1HD1 LEU 15 7.113 -5.582 -2.591 134 HD12 LEU 15 2HD1 LEU 15 5.471 -5.916 -2.040 135 HD13 LEU 15 3HD1 LEU 15 6.370 -4.559 -1.365 136 HD21 LEU 15 3HD2 LEU 15 5.123 -4.377 -5.429 137 HD22 LEU 15 1HD2 LEU 15 4.530 -5.714 -4.435 138 HD23 LEU 15 2HD2 LEU 15 6.238 -5.621 -4.868 139 H ALA 16 H ALA 16 4.885 -0.422 -3.032 140 HA ALA 16 HA ALA 16 7.573 -0.441 -3.769 141 HB1 ALA 16 1HB ALA 16 5.767 1.930 -3.254 142 HB2 ALA 16 2HB ALA 16 5.970 1.087 -4.789 143 HB3 ALA 16 3HB ALA 16 7.311 1.996 -4.097 144 H LEU 17 H LEU 17 6.054 1.392 -1.166 145 HA LEU 17 HA LEU 17 8.055 2.625 0.108 146 HB2 LEU 17 2HB LEU 17 6.187 2.852 1.384 147 HB3 LEU 17 1HB LEU 17 5.638 1.213 1.056 148 HG LEU 17 HG LEU 17 7.507 0.428 2.638 149 HD11 LEU 17 1HD1 LEU 17 7.996 2.322 4.366 150 HD12 LEU 17 2HD1 LEU 17 7.603 3.405 3.032 151 HD13 LEU 17 3HD1 LEU 17 8.939 2.266 2.878 152 HD21 LEU 17 3HD2 LEU 17 6.111 0.671 4.553 153 HD22 LEU 17 1HD2 LEU 17 5.022 0.655 3.168 154 HD23 LEU 17 2HD2 LEU 17 5.426 2.180 3.947 155 H HIS 18 H HIS 18 7.341 -0.785 0.386 156 HA HIS 18 HA HIS 18 9.654 -1.387 2.014 157 HB2 HIS 18 2HB HIS 18 8.210 -3.399 0.308 158 HB3 HIS 18 1HB HIS 18 9.037 -3.638 1.839 159 HD1 HIS 18 1HD HIS 18 7.645 -3.348 3.958 160 HD2 HIS 18 2HD HIS 18 5.764 -1.883 0.547 161 HE1 HIS 18 1HE HIS 18 5.277 -2.747 4.651 162 HE2 HIS 18 2HE HIS 18 4.113 -1.839 2.577 163 H LEU 19 H LEU 19 8.791 -2.187 -1.297 164 HA LEU 19 HA LEU 19 11.168 -3.323 -2.146 165 HB2 LEU 19 2HB LEU 19 9.472 -3.518 -3.705 166 HB3 LEU 19 1HB LEU 19 8.921 -1.864 -3.465 167 HG LEU 19 HG LEU 19 11.074 -1.109 -4.614 168 HD11 LEU 19 1HD1 LEU 19 12.580 -2.850 -4.689 169 HD12 LEU 19 2HD1 LEU 19 11.777 -3.140 -6.230 170 HD13 LEU 19 3HD1 LEU 19 11.317 -4.075 -4.809 171 HD21 LEU 19 3HD2 LEU 19 8.646 -1.652 -5.627 172 HD22 LEU 19 1HD2 LEU 19 9.598 -2.812 -6.554 173 HD23 LEU 19 2HD2 LEU 19 9.982 -1.093 -6.631 174 H ALA 20 H ALA 20 10.281 -0.017 -1.670 175 HA ALA 20 HA ALA 20 12.581 1.127 -2.969 176 HB1 ALA 20 1HB ALA 20 11.552 3.103 -2.588 177 HB2 ALA 20 2HB ALA 20 11.311 2.746 -0.878 178 HB3 ALA 20 3HB ALA 20 10.178 2.125 -2.079 179 H LEU 21 H LEU 21 11.586 0.867 0.412 180 HA LEU 21 HA LEU 21 13.999 1.689 1.568 181 HB2 LEU 21 2HB LEU 21 11.799 1.362 2.764 182 HB3 LEU 21 1HB LEU 21 12.098 -0.376 2.699 183 HG LEU 21 HG LEU 21 14.324 0.078 3.847 184 HD11 LEU 21 1HD1 LEU 21 14.916 2.264 3.864 185 HD12 LEU 21 2HD1 LEU 21 13.817 2.399 5.235 186 HD13 LEU 21 3HD1 LEU 21 13.258 2.814 3.613 187 HD21 LEU 21 3HD2 LEU 21 11.685 0.683 5.195 188 HD22 LEU 21 1HD2 LEU 21 13.192 0.521 6.093 189 HD23 LEU 21 2HD2 LEU 21 12.566 -0.845 5.172 190 H ALA 22 H ALA 22 12.811 -1.501 0.696 191 HA ALA 22 HA ALA 22 14.958 -3.063 1.573 192 HB1 ALA 22 1HB ALA 22 12.809 -3.988 0.763 193 HB2 ALA 22 2HB ALA 22 14.193 -4.739 -0.033 194 HB3 ALA 22 3HB ALA 22 13.242 -3.517 -0.880 195 H LEU 23 H LEU 23 14.540 -1.144 -1.302 196 HA LEU 23 HA LEU 23 16.974 -2.095 -2.556 197 HB2 LEU 23 2HB LEU 23 14.837 -0.117 -3.187 198 HB3 LEU 23 1HB LEU 23 16.419 0.142 -3.921 199 HG LEU 23 HG LEU 23 15.026 -2.535 -4.019 200 HD11 LEU 23 1HD1 LEU 23 14.157 -1.927 -6.202 201 HD12 LEU 23 2HD1 LEU 23 14.945 -0.350 -6.120 202 HD13 LEU 23 3HD1 LEU 23 13.606 -0.731 -5.032 203 HD21 LEU 23 3HD2 LEU 23 16.539 -2.381 -6.234 204 HD22 LEU 23 1HD2 LEU 23 17.202 -2.924 -4.690 205 HD23 LEU 23 2HD2 LEU 23 17.445 -1.259 -5.220 206 H LYS 24 H LYS 24 15.829 0.912 -1.162 207 HA LYS 24 HA LYS 24 18.236 2.340 -1.277 208 HB2 LYS 24 2HB LYS 24 16.135 3.473 -0.927 209 HB3 LYS 24 1HB LYS 24 15.893 2.636 0.604 210 HG2 LYS 24 2HG LYS 24 18.445 4.154 0.290 211 HG3 LYS 24 1HG LYS 24 16.971 5.106 0.464 212 HD2 LYS 24 2HD LYS 24 16.586 4.386 2.623 213 HD3 LYS 24 1HD LYS 24 17.342 2.820 2.356 214 HE2 LYS 24 2HE LYS 24 18.787 5.468 2.667 215 HE3 LYS 24 1HE LYS 24 18.724 4.173 3.861 216 HZ1 LYS 24 3HZ LYS 24 19.601 2.956 1.561 217 HZ2 LYS 24 1HZ LYS 24 20.552 3.388 2.893 218 HZ3 LYS 24 2HZ LYS 24 20.411 4.442 1.572 219 H LYS 25 H LYS 25 16.872 0.480 1.419 220 HA LYS 25 HA LYS 25 18.332 0.953 3.538 221 HB2 LYS 25 2HB LYS 25 18.640 -1.508 3.993 222 HB3 LYS 25 1HB LYS 25 16.999 -1.002 3.620 223 HG2 LYS 25 2HG LYS 25 16.928 -2.456 1.916 224 HG3 LYS 25 1HG LYS 25 18.311 -1.669 1.156 225 HD2 LYS 25 2HD LYS 25 19.855 -3.041 2.492 226 HD3 LYS 25 1HD LYS 25 18.497 -3.757 3.355 227 HE2 LYS 25 2HE LYS 25 19.407 -5.209 1.509 228 HE3 LYS 25 1HE LYS 25 17.694 -4.831 1.347 229 HZ1 LYS 25 3HZ LYS 25 19.815 -3.233 0.014 230 HZ2 LYS 25 1HZ LYS 25 18.133 -3.228 -0.290 231 HZ3 LYS 25 2HZ LYS 25 19.073 -4.579 -0.718 232 H ALA 26 H ALA 26 19.864 -1.559 1.558 233 HA ALA 26 HA ALA 26 22.354 -0.124 1.361 234 HB1 ALA 26 1HB ALA 26 23.630 -1.277 2.886 235 HB2 ALA 26 2HB ALA 26 22.625 -2.724 2.793 236 HB3 ALA 26 3HB ALA 26 22.085 -1.338 3.740 Start of MODEL 13 1 H1 LYS 1 1HT LYS 1 -1.586 17.904 -22.419 2 H2 LYS 1 2HT LYS 1 -2.488 17.231 -23.683 3 H3 LYS 1 3HT LYS 1 -0.816 17.443 -23.852 4 HA LYS 1 HA LYS 1 -2.225 15.242 -22.778 5 HB2 LYS 1 2HB LYS 1 0.513 15.968 -23.697 6 HB3 LYS 1 1HB LYS 1 0.411 14.612 -22.582 7 HG2 LYS 1 2HG LYS 1 -1.619 14.517 -24.708 8 HG3 LYS 1 1HG LYS 1 0.034 14.457 -25.314 9 HD2 LYS 1 2HD LYS 1 -0.717 12.733 -22.972 10 HD3 LYS 1 1HD LYS 1 -1.201 12.228 -24.590 11 HE2 LYS 1 2HE LYS 1 1.647 12.962 -23.849 12 HE3 LYS 1 1HE LYS 1 1.033 11.313 -23.849 13 HZ1 LYS 1 2HZ LYS 1 0.576 11.447 -26.156 14 HZ2 LYS 1 3HZ LYS 1 2.164 12.006 -25.933 15 HZ3 LYS 1 1HZ LYS 1 0.908 13.109 -26.205 16 H LYS 2 H LYS 2 -1.602 14.080 -20.840 17 HA LYS 2 HA LYS 2 -0.505 15.762 -18.667 18 HB2 LYS 2 2HB LYS 2 -3.010 14.056 -18.594 19 HB3 LYS 2 1HB LYS 2 -2.209 14.686 -17.155 20 HG2 LYS 2 2HG LYS 2 -2.652 16.945 -17.770 21 HG3 LYS 2 1HG LYS 2 -3.076 16.489 -19.417 22 HD2 LYS 2 2HD LYS 2 -5.228 16.241 -18.825 23 HD3 LYS 2 1HD LYS 2 -4.768 15.022 -17.639 24 HE2 LYS 2 2HE LYS 2 -5.028 18.007 -17.243 25 HE3 LYS 2 1HE LYS 2 -5.867 16.718 -16.381 26 HZ1 LYS 2 3HZ LYS 2 -3.147 17.727 -16.035 27 HZ2 LYS 2 1HZ LYS 2 -3.384 16.063 -15.808 28 HZ3 LYS 2 2HZ LYS 2 -4.253 17.176 -14.875 29 H ALA 3 H ALA 3 0.828 14.665 -17.273 30 HA ALA 3 HA ALA 3 1.857 12.123 -18.120 31 HB1 ALA 3 1HB ALA 3 3.512 13.403 -17.097 32 HB2 ALA 3 2HB ALA 3 3.037 12.337 -15.774 33 HB3 ALA 3 3HB ALA 3 2.425 13.990 -15.839 34 H LEU 4 H LEU 4 -0.696 11.587 -17.879 35 HA LEU 4 HA LEU 4 -1.694 10.821 -15.359 36 HB2 LEU 4 2HB LEU 4 -2.357 10.254 -18.204 37 HB3 LEU 4 1HB LEU 4 -3.001 9.139 -16.998 38 HG LEU 4 HG LEU 4 -3.256 12.127 -16.663 39 HD11 LEU 4 1HD1 LEU 4 -5.440 12.036 -17.716 40 HD12 LEU 4 2HD1 LEU 4 -5.264 10.313 -18.032 41 HD13 LEU 4 3HD1 LEU 4 -4.233 11.474 -18.867 42 HD21 LEU 4 3HD2 LEU 4 -4.653 9.676 -15.575 43 HD22 LEU 4 1HD2 LEU 4 -5.299 11.305 -15.375 44 HD23 LEU 4 2HD2 LEU 4 -3.731 10.886 -14.681 45 H LEU 5 H LEU 5 -0.671 8.715 -17.961 46 HA LEU 5 HA LEU 5 -0.455 6.311 -16.669 47 HB2 LEU 5 2HB LEU 5 0.767 7.515 -19.031 48 HB3 LEU 5 1HB LEU 5 1.845 6.362 -18.249 49 HG LEU 5 HG LEU 5 0.316 5.338 -19.967 50 HD11 LEU 5 1HD1 LEU 5 1.303 4.251 -17.800 51 HD12 LEU 5 2HD1 LEU 5 0.072 3.387 -18.715 52 HD13 LEU 5 3HD1 LEU 5 -0.374 4.259 -17.252 53 HD21 LEU 5 3HD2 LEU 5 -1.940 5.389 -18.048 54 HD22 LEU 5 1HD2 LEU 5 -1.959 5.504 -19.803 55 HD23 LEU 5 2HD2 LEU 5 -1.599 6.931 -18.835 56 H ALA 6 H ALA 6 2.037 8.717 -17.016 57 HA ALA 6 HA ALA 6 4.026 7.592 -15.416 58 HB1 ALA 6 1HB ALA 6 5.108 9.472 -15.985 59 HB2 ALA 6 2HB ALA 6 3.975 10.448 -15.050 60 HB3 ALA 6 3HB ALA 6 3.621 10.053 -16.733 61 H LEU 7 H LEU 7 1.505 9.903 -14.532 62 HA LEU 7 HA LEU 7 2.057 10.095 -11.793 63 HB2 LEU 7 2HB LEU 7 0.539 11.689 -12.639 64 HB3 LEU 7 1HB LEU 7 -0.439 10.461 -13.433 65 HG LEU 7 HG LEU 7 -1.009 9.585 -11.099 66 HD11 LEU 7 1HD1 LEU 7 0.598 12.030 -10.449 67 HD12 LEU 7 2HD1 LEU 7 0.520 10.486 -9.602 68 HD13 LEU 7 3HD1 LEU 7 -0.792 11.651 -9.434 69 HD21 LEU 7 3HD2 LEU 7 -2.229 11.453 -12.655 70 HD22 LEU 7 1HD2 LEU 7 -1.975 12.391 -11.178 71 HD23 LEU 7 2HD2 LEU 7 -2.892 10.881 -11.119 72 H ALA 8 H ALA 8 -0.228 8.022 -13.506 73 HA ALA 8 HA ALA 8 -1.264 6.570 -11.387 74 HB1 ALA 8 1HB ALA 8 -2.302 5.561 -13.103 75 HB2 ALA 8 2HB ALA 8 -0.792 4.755 -13.533 76 HB3 ALA 8 3HB ALA 8 -1.182 6.326 -14.232 77 H LEU 9 H LEU 9 1.452 5.715 -13.437 78 HA LEU 9 HA LEU 9 2.347 3.488 -11.955 79 HB2 LEU 9 2HB LEU 9 3.377 5.182 -14.120 80 HB3 LEU 9 1HB LEU 9 4.637 4.509 -13.088 81 HG LEU 9 HG LEU 9 3.298 2.266 -13.372 82 HD11 LEU 9 1HD1 LEU 9 1.683 3.966 -14.866 83 HD12 LEU 9 2HD1 LEU 9 1.675 2.205 -14.939 84 HD13 LEU 9 3HD1 LEU 9 2.643 3.126 -16.088 85 HD21 LEU 9 3HD2 LEU 9 4.559 1.901 -15.564 86 HD22 LEU 9 1HD2 LEU 9 5.529 2.468 -14.209 87 HD23 LEU 9 2HD2 LEU 9 5.028 3.598 -15.466 88 H HIS 10 H HIS 10 3.764 6.683 -12.170 89 HA HIS 10 HA HIS 10 5.727 6.755 -10.380 90 HB2 HIS 10 2HB HIS 10 5.154 8.787 -11.443 91 HB3 HIS 10 1HB HIS 10 3.534 8.785 -10.751 92 HD1 HIS 10 1HD HIS 10 7.154 8.962 -9.579 93 HD2 HIS 10 2HD HIS 10 3.350 10.229 -8.426 94 HE1 HIS 10 1HE HIS 10 7.480 10.440 -7.546 95 HE2 HIS 10 2HE HIS 10 5.164 11.215 -6.818 96 H HIS 11 H HIS 11 2.327 6.786 -9.422 97 HA HIS 11 HA HIS 11 2.648 7.238 -6.694 98 HB2 HIS 11 2HB HIS 11 0.594 5.753 -8.297 99 HB3 HIS 11 1HB HIS 11 0.533 5.694 -6.536 100 HD1 HIS 11 1HD HIS 11 0.926 8.327 -5.487 101 HD2 HIS 11 2HD HIS 11 -0.876 7.869 -9.220 102 HE1 HIS 11 1HE HIS 11 -0.352 10.468 -5.935 103 HE2 HIS 11 2HE HIS 11 -1.463 10.202 -8.210 104 H LEU 12 H LEU 12 4.012 6.218 -5.379 105 HA LEU 12 HA LEU 12 5.209 3.746 -5.763 106 HB2 LEU 12 2HB LEU 12 4.551 5.037 -3.107 107 HB3 LEU 12 1HB LEU 12 5.764 3.790 -3.379 108 HG LEU 12 HG LEU 12 6.026 6.161 -5.129 109 HD11 LEU 12 1HD1 LEU 12 5.326 7.247 -3.030 110 HD12 LEU 12 2HD1 LEU 12 7.037 7.545 -3.338 111 HD13 LEU 12 3HD1 LEU 12 6.548 6.342 -2.145 112 HD21 LEU 12 3HD2 LEU 12 8.413 5.864 -4.457 113 HD22 LEU 12 1HD2 LEU 12 7.700 4.382 -5.100 114 HD23 LEU 12 2HD2 LEU 12 7.913 4.576 -3.358 115 H ALA 13 H ALA 13 2.340 4.540 -3.916 116 HA ALA 13 HA ALA 13 0.424 3.295 -3.546 117 HB1 ALA 13 1HB ALA 13 1.009 1.945 -5.596 118 HB2 ALA 13 2HB ALA 13 0.152 1.056 -4.335 119 HB3 ALA 13 3HB ALA 13 1.890 0.848 -4.538 120 H HIS 14 H HIS 14 2.163 0.367 -2.933 121 HA HIS 14 HA HIS 14 2.538 1.104 -0.106 122 HB2 HIS 14 2HB HIS 14 0.852 -1.177 -1.131 123 HB3 HIS 14 1HB HIS 14 1.466 -1.113 0.521 124 HD1 HIS 14 1HD HIS 14 0.649 0.950 2.000 125 HD2 HIS 14 2HD HIS 14 -1.383 0.432 -1.607 126 HE1 HIS 14 1HE HIS 14 -1.472 2.321 2.165 127 HE2 HIS 14 2HE HIS 14 -2.723 2.015 -0.022 128 H LEU 15 H LEU 15 2.681 -1.855 -2.039 129 HA LEU 15 HA LEU 15 4.777 -3.081 -0.710 130 HB2 LEU 15 2HB LEU 15 4.104 -3.234 -3.662 131 HB3 LEU 15 1HB LEU 15 5.156 -4.360 -2.803 132 HG LEU 15 HG LEU 15 2.279 -3.828 -2.009 133 HD11 LEU 15 1HD1 LEU 15 1.999 -6.191 -3.011 134 HD12 LEU 15 2HD1 LEU 15 3.504 -5.864 -3.868 135 HD13 LEU 15 3HD1 LEU 15 2.096 -4.836 -4.134 136 HD21 LEU 15 3HD2 LEU 15 3.393 -4.752 -0.155 137 HD22 LEU 15 1HD2 LEU 15 4.439 -5.750 -1.162 138 HD23 LEU 15 2HD2 LEU 15 2.737 -6.175 -0.968 139 H ALA 16 H ALA 16 4.732 -0.587 -3.064 140 HA ALA 16 HA ALA 16 7.331 -0.586 -3.972 141 HB1 ALA 16 1HB ALA 16 6.955 1.885 -4.278 142 HB2 ALA 16 2HB ALA 16 5.415 1.667 -3.444 143 HB3 ALA 16 3HB ALA 16 5.714 0.845 -4.977 144 H LEU 17 H LEU 17 5.984 1.233 -1.282 145 HA LEU 17 HA LEU 17 8.114 2.565 -0.268 146 HB2 LEU 17 2HB LEU 17 6.065 2.834 0.870 147 HB3 LEU 17 1HB LEU 17 5.876 1.100 1.111 148 HG LEU 17 HG LEU 17 7.982 1.219 2.580 149 HD11 LEU 17 1HD1 LEU 17 7.274 4.167 2.572 150 HD12 LEU 17 2HD1 LEU 17 8.660 3.489 1.717 151 HD13 LEU 17 3HD1 LEU 17 8.571 3.392 3.476 152 HD21 LEU 17 3HD2 LEU 17 5.899 0.913 3.674 153 HD22 LEU 17 1HD2 LEU 17 5.364 2.550 3.284 154 HD23 LEU 17 2HD2 LEU 17 6.632 2.297 4.483 155 H HIS 18 H HIS 18 7.243 -0.736 0.516 156 HA HIS 18 HA HIS 18 9.509 -1.338 2.094 157 HB2 HIS 18 2HB HIS 18 7.991 -3.288 0.364 158 HB3 HIS 18 1HB HIS 18 8.902 -3.631 1.827 159 HD1 HIS 18 1HD HIS 18 7.561 -3.600 3.975 160 HD2 HIS 18 2HD HIS 18 5.712 -1.477 0.903 161 HE1 HIS 18 1HE HIS 18 5.334 -2.795 4.900 162 HE2 HIS 18 2HE HIS 18 4.190 -1.488 3.037 163 H LEU 19 H LEU 19 8.729 -2.012 -1.230 164 HA LEU 19 HA LEU 19 11.069 -3.256 -2.057 165 HB2 LEU 19 2HB LEU 19 9.508 -3.386 -3.719 166 HB3 LEU 19 1HB LEU 19 8.791 -1.835 -3.287 167 HG LEU 19 HG LEU 19 10.814 -0.729 -4.368 168 HD11 LEU 19 1HD1 LEU 19 12.126 -2.969 -4.249 169 HD12 LEU 19 2HD1 LEU 19 12.292 -2.003 -5.716 170 HD13 LEU 19 3HD1 LEU 19 11.227 -3.412 -5.696 171 HD21 LEU 19 3HD2 LEU 19 9.997 -1.249 -6.720 172 HD22 LEU 19 1HD2 LEU 19 8.725 -0.782 -5.587 173 HD23 LEU 19 2HD2 LEU 19 8.953 -2.482 -6.009 174 H ALA 20 H ALA 20 10.249 0.068 -1.583 175 HA ALA 20 HA ALA 20 12.614 1.184 -2.786 176 HB1 ALA 20 1HB ALA 20 11.760 3.135 -1.098 177 HB2 ALA 20 2HB ALA 20 10.279 2.197 -1.288 178 HB3 ALA 20 3HB ALA 20 11.085 2.865 -2.706 179 H LEU 21 H LEU 21 11.537 0.591 0.506 180 HA LEU 21 HA LEU 21 13.798 1.486 1.871 181 HB2 LEU 21 2HB LEU 21 11.512 -0.237 2.453 182 HB3 LEU 21 1HB LEU 21 12.968 -0.726 3.318 183 HG LEU 21 HG LEU 21 13.222 1.781 3.911 184 HD11 LEU 21 1HD1 LEU 21 11.433 2.445 2.230 185 HD12 LEU 21 2HD1 LEU 21 11.236 3.121 3.846 186 HD13 LEU 21 3HD1 LEU 21 10.251 1.750 3.337 187 HD21 LEU 21 3HD2 LEU 21 11.189 -0.148 5.017 188 HD22 LEU 21 1HD2 LEU 21 11.315 1.471 5.708 189 HD23 LEU 21 2HD2 LEU 21 12.711 0.394 5.728 190 H ALA 22 H ALA 22 12.998 -1.809 0.881 191 HA ALA 22 HA ALA 22 15.408 -3.030 1.560 192 HB1 ALA 22 1HB ALA 22 14.760 -4.516 -0.554 193 HB2 ALA 22 2HB ALA 22 13.240 -3.644 -0.392 194 HB3 ALA 22 3HB ALA 22 13.849 -4.611 0.949 195 H LEU 23 H LEU 23 14.475 -1.325 -1.360 196 HA LEU 23 HA LEU 23 16.822 -1.845 -2.845 197 HB2 LEU 23 2HB LEU 23 14.838 -1.041 -3.969 198 HB3 LEU 23 1HB LEU 23 14.839 0.431 -3.003 199 HG LEU 23 HG LEU 23 17.008 1.079 -3.992 200 HD11 LEU 23 1HD1 LEU 23 16.665 -1.557 -5.434 201 HD12 LEU 23 2HD1 LEU 23 18.059 -0.992 -4.515 202 HD13 LEU 23 3HD1 LEU 23 17.690 -0.279 -6.084 203 HD21 LEU 23 3HD2 LEU 23 16.164 1.644 -6.198 204 HD22 LEU 23 1HD2 LEU 23 14.824 1.722 -5.054 205 HD23 LEU 23 2HD2 LEU 23 14.988 0.331 -6.126 206 H LYS 24 H LYS 24 15.818 1.008 -1.012 207 HA LYS 24 HA LYS 24 18.239 2.420 -1.227 208 HB2 LYS 24 2HB LYS 24 16.093 2.483 0.896 209 HB3 LYS 24 1HB LYS 24 17.429 3.633 0.818 210 HG2 LYS 24 2HG LYS 24 16.615 4.662 -1.102 211 HG3 LYS 24 1HG LYS 24 15.800 3.206 -1.664 212 HD2 LYS 24 2HD LYS 24 14.249 5.051 -0.861 213 HD3 LYS 24 1HD LYS 24 14.014 3.489 -0.082 214 HE2 LYS 24 2HE LYS 24 13.997 5.154 1.660 215 HE3 LYS 24 1HE LYS 24 15.526 4.289 1.788 216 HZ1 LYS 24 3HZ LYS 24 15.032 6.982 0.652 217 HZ2 LYS 24 1HZ LYS 24 16.470 6.127 0.357 218 HZ3 LYS 24 2HZ LYS 24 16.049 6.554 1.945 219 H LYS 25 H LYS 25 17.025 0.244 1.247 220 HA LYS 25 HA LYS 25 18.702 0.289 3.297 221 HB2 LYS 25 2HB LYS 25 16.974 -1.455 2.920 222 HB3 LYS 25 1HB LYS 25 18.087 -2.288 1.839 223 HG2 LYS 25 2HG LYS 25 19.478 -1.695 4.278 224 HG3 LYS 25 1HG LYS 25 17.941 -2.454 4.686 225 HD2 LYS 25 2HD LYS 25 19.003 -3.896 2.470 226 HD3 LYS 25 1HD LYS 25 20.319 -3.688 3.622 227 HE2 LYS 25 2HE LYS 25 17.576 -4.825 4.236 228 HE3 LYS 25 1HE LYS 25 19.082 -5.735 4.132 229 HZ1 LYS 25 3HZ LYS 25 18.080 -4.678 6.387 230 HZ2 LYS 25 1HZ LYS 25 19.181 -3.476 5.918 231 HZ3 LYS 25 2HZ LYS 25 19.714 -5.075 6.146 232 H ALA 26 H ALA 26 19.663 -2.260 1.069 233 HA ALA 26 HA ALA 26 22.215 -1.172 0.390 234 HB1 ALA 26 1HB ALA 26 23.479 -2.972 1.768 235 HB2 ALA 26 2HB ALA 26 22.028 -3.012 2.764 236 HB3 ALA 26 3HB ALA 26 22.940 -1.513 2.603 Start of MODEL 14 1 H1 LYS 1 1HT LYS 1 18.354 14.667 -7.800 2 H2 LYS 1 2HT LYS 1 19.309 15.571 -8.864 3 H3 LYS 1 3HT LYS 1 19.883 14.098 -8.251 4 HA LYS 1 HA LYS 1 18.439 14.532 -10.596 5 HB2 LYS 1 2HB LYS 1 19.044 11.905 -9.204 6 HB3 LYS 1 1HB LYS 1 18.822 12.163 -10.934 7 HG2 LYS 1 2HG LYS 1 20.812 13.716 -10.879 8 HG3 LYS 1 1HG LYS 1 21.093 13.200 -9.215 9 HD2 LYS 1 2HD LYS 1 20.697 10.980 -11.125 10 HD3 LYS 1 1HD LYS 1 22.140 11.945 -11.428 11 HE2 LYS 1 2HE LYS 1 22.508 9.999 -9.864 12 HE3 LYS 1 1HE LYS 1 22.960 11.561 -9.183 13 HZ1 LYS 1 2HZ LYS 1 21.689 10.362 -7.580 14 HZ2 LYS 1 3HZ LYS 1 20.446 10.054 -8.687 15 HZ3 LYS 1 1HZ LYS 1 20.725 11.636 -8.144 16 H LYS 2 H LYS 2 16.640 12.816 -11.194 17 HA LYS 2 HA LYS 2 14.510 13.132 -9.175 18 HB2 LYS 2 2HB LYS 2 14.453 12.718 -12.166 19 HB3 LYS 2 1HB LYS 2 13.015 12.544 -11.161 20 HG2 LYS 2 2HG LYS 2 14.744 15.038 -11.262 21 HG3 LYS 2 1HG LYS 2 13.228 14.833 -12.142 22 HD2 LYS 2 2HD LYS 2 12.198 14.263 -9.832 23 HD3 LYS 2 1HD LYS 2 13.652 15.000 -9.156 24 HE2 LYS 2 2HE LYS 2 11.692 16.330 -11.057 25 HE3 LYS 2 1HE LYS 2 11.869 16.673 -9.338 26 HZ1 LYS 2 3HZ LYS 2 14.173 16.898 -11.167 27 HZ2 LYS 2 1HZ LYS 2 13.941 17.616 -9.646 28 HZ3 LYS 2 2HZ LYS 2 13.070 18.176 -10.992 29 H ALA 3 H ALA 3 13.385 11.400 -8.408 30 HA ALA 3 HA ALA 3 14.717 8.886 -8.369 31 HB1 ALA 3 1HB ALA 3 13.448 9.542 -6.438 32 HB2 ALA 3 2HB ALA 3 12.639 8.141 -7.135 33 HB3 ALA 3 3HB ALA 3 11.985 9.755 -7.397 34 H LEU 4 H LEU 4 14.273 9.451 -11.053 35 HA LEU 4 HA LEU 4 11.925 8.303 -12.130 36 HB2 LEU 4 2HB LEU 4 14.637 8.288 -13.457 37 HB3 LEU 4 1HB LEU 4 13.054 8.312 -14.232 38 HG LEU 4 HG LEU 4 14.398 10.545 -12.692 39 HD11 LEU 4 1HD1 LEU 4 13.087 10.469 -15.427 40 HD12 LEU 4 2HD1 LEU 4 14.813 10.205 -15.165 41 HD13 LEU 4 3HD1 LEU 4 14.088 11.759 -14.755 42 HD21 LEU 4 3HD2 LEU 4 12.179 10.609 -11.859 43 HD22 LEU 4 1HD2 LEU 4 11.494 10.112 -13.405 44 HD23 LEU 4 2HD2 LEU 4 12.160 11.734 -13.215 45 H LEU 5 H LEU 5 15.186 6.987 -12.056 46 HA LEU 5 HA LEU 5 14.714 4.389 -12.813 47 HB2 LEU 5 2HB LEU 5 16.595 3.859 -11.025 48 HB3 LEU 5 1HB LEU 5 16.968 4.770 -12.486 49 HG LEU 5 HG LEU 5 16.011 6.508 -10.334 50 HD11 LEU 5 1HD1 LEU 5 18.049 6.315 -8.944 51 HD12 LEU 5 2HD1 LEU 5 18.553 4.910 -9.885 52 HD13 LEU 5 3HD1 LEU 5 17.091 4.832 -8.899 53 HD21 LEU 5 3HD2 LEU 5 17.333 6.936 -12.573 54 HD22 LEU 5 1HD2 LEU 5 18.746 6.564 -11.583 55 HD23 LEU 5 2HD2 LEU 5 17.693 7.912 -11.146 56 H ALA 6 H ALA 6 14.514 5.743 -9.586 57 HA ALA 6 HA ALA 6 13.628 3.384 -8.283 58 HB1 ALA 6 1HB ALA 6 13.213 6.263 -7.460 59 HB2 ALA 6 2HB ALA 6 14.625 5.287 -7.059 60 HB3 ALA 6 3HB ALA 6 13.042 4.849 -6.419 61 H LEU 7 H LEU 7 11.949 6.174 -9.633 62 HA LEU 7 HA LEU 7 9.328 5.571 -8.915 63 HB2 LEU 7 2HB LEU 7 9.761 7.676 -9.970 64 HB3 LEU 7 1HB LEU 7 10.444 6.890 -11.391 65 HG LEU 7 HG LEU 7 8.205 5.868 -11.854 66 HD11 LEU 7 1HD1 LEU 7 7.536 7.448 -9.380 67 HD12 LEU 7 2HD1 LEU 7 7.085 5.793 -9.802 68 HD13 LEU 7 3HD1 LEU 7 6.303 7.154 -10.610 69 HD21 LEU 7 3HD2 LEU 7 8.267 8.892 -11.610 70 HD22 LEU 7 1HD2 LEU 7 7.140 7.977 -12.611 71 HD23 LEU 7 2HD2 LEU 7 8.865 7.951 -12.977 72 H ALA 8 H ALA 8 11.141 4.624 -11.758 73 HA ALA 8 HA ALA 8 9.162 2.955 -12.916 74 HB1 ALA 8 1HB ALA 8 12.095 2.465 -13.281 75 HB2 ALA 8 2HB ALA 8 11.374 3.948 -13.908 76 HB3 ALA 8 3HB ALA 8 10.797 2.380 -14.471 77 H LEU 9 H LEU 9 12.099 2.186 -11.152 78 HA LEU 9 HA LEU 9 12.147 -0.482 -10.968 79 HB2 LEU 9 2HB LEU 9 12.868 1.669 -9.120 80 HB3 LEU 9 1HB LEU 9 12.585 0.119 -8.331 81 HG LEU 9 HG LEU 9 14.201 0.070 -10.836 82 HD11 LEU 9 1HD1 LEU 9 14.875 1.930 -8.858 83 HD12 LEU 9 2HD1 LEU 9 15.950 1.285 -10.097 84 HD13 LEU 9 3HD1 LEU 9 15.886 0.530 -8.504 85 HD21 LEU 9 3HD2 LEU 9 13.497 -1.776 -8.945 86 HD22 LEU 9 1HD2 LEU 9 15.073 -1.264 -8.334 87 HD23 LEU 9 2HD2 LEU 9 14.929 -1.920 -9.963 88 H HIS 10 H HIS 10 10.622 1.132 -8.215 89 HA HIS 10 HA HIS 10 8.507 -0.937 -8.298 90 HB2 HIS 10 2HB HIS 10 8.970 -0.115 -5.591 91 HB3 HIS 10 1HB HIS 10 9.072 -1.727 -6.289 92 HD1 HIS 10 1HD HIS 10 11.404 -2.525 -7.128 93 HD2 HIS 10 2HD HIS 10 11.442 1.186 -5.225 94 HE1 HIS 10 1HE HIS 10 13.827 -2.035 -6.567 95 HE2 HIS 10 2HE HIS 10 13.869 0.238 -5.415 96 H HIS 11 H HIS 11 9.293 1.992 -6.500 97 HA HIS 11 HA HIS 11 7.386 3.136 -5.379 98 HB2 HIS 11 2HB HIS 11 8.667 4.277 -7.817 99 HB3 HIS 11 1HB HIS 11 7.402 5.194 -6.996 100 HD1 HIS 11 1HD HIS 11 8.039 4.476 -4.057 101 HD2 HIS 11 2HD HIS 11 10.947 5.535 -6.861 102 HE1 HIS 11 1HE HIS 11 10.044 5.307 -2.744 103 HE2 HIS 11 2HE HIS 11 11.825 5.949 -4.437 104 H LEU 12 H LEU 12 5.340 2.565 -5.302 105 HA LEU 12 HA LEU 12 3.543 3.341 -7.419 106 HB2 LEU 12 2HB LEU 12 4.429 0.634 -7.288 107 HB3 LEU 12 1HB LEU 12 2.755 0.676 -6.735 108 HG LEU 12 HG LEU 12 3.326 2.324 -9.134 109 HD11 LEU 12 1HD1 LEU 12 4.725 0.419 -9.688 110 HD12 LEU 12 2HD1 LEU 12 3.227 0.287 -10.609 111 HD13 LEU 12 3HD1 LEU 12 3.464 -0.708 -9.169 112 HD21 LEU 12 3HD2 LEU 12 1.177 1.295 -9.828 113 HD22 LEU 12 1HD2 LEU 12 1.061 2.021 -8.234 114 HD23 LEU 12 2HD2 LEU 12 1.217 0.273 -8.393 115 H ALA 13 H ALA 13 3.649 1.193 -4.619 116 HA ALA 13 HA ALA 13 2.086 3.009 -3.005 117 HB1 ALA 13 1HB ALA 13 0.262 1.996 -4.222 118 HB2 ALA 13 2HB ALA 13 0.265 1.334 -2.589 119 HB3 ALA 13 3HB ALA 13 0.904 0.379 -3.928 120 H HIS 14 H HIS 14 1.173 0.928 -1.202 121 HA HIS 14 HA HIS 14 3.326 0.721 0.524 122 HB2 HIS 14 2HB HIS 14 0.699 -0.607 0.279 123 HB3 HIS 14 1HB HIS 14 1.905 -1.483 1.217 124 HD1 HIS 14 1HD HIS 14 2.596 -0.515 3.488 125 HD2 HIS 14 2HD HIS 14 0.024 1.992 1.358 126 HE1 HIS 14 1HE HIS 14 1.884 1.319 5.088 127 HE2 HIS 14 2HE HIS 14 0.331 2.860 3.801 128 H LEU 15 H LEU 15 2.443 -1.264 -2.164 129 HA LEU 15 HA LEU 15 4.132 -3.491 -1.544 130 HB2 LEU 15 2HB LEU 15 2.654 -2.543 -3.987 131 HB3 LEU 15 1HB LEU 15 3.744 -3.925 -4.066 132 HG LEU 15 HG LEU 15 1.395 -3.665 -2.157 133 HD11 LEU 15 1HD1 LEU 15 1.770 -5.122 -4.771 134 HD12 LEU 15 2HD1 LEU 15 0.488 -3.997 -4.323 135 HD13 LEU 15 3HD1 LEU 15 0.544 -5.604 -3.599 136 HD21 LEU 15 3HD2 LEU 15 1.937 -6.224 -2.018 137 HD22 LEU 15 1HD2 LEU 15 2.919 -5.096 -1.086 138 HD23 LEU 15 2HD2 LEU 15 3.528 -5.748 -2.608 139 H ALA 16 H ALA 16 4.721 -0.369 -2.529 140 HA ALA 16 HA ALA 16 7.216 -1.129 -3.893 141 HB1 ALA 16 1HB ALA 16 5.567 0.280 -5.168 142 HB2 ALA 16 2HB ALA 16 7.170 0.994 -4.998 143 HB3 ALA 16 3HB ALA 16 5.845 1.550 -3.977 144 H LEU 17 H LEU 17 5.866 1.137 -1.555 145 HA LEU 17 HA LEU 17 8.015 2.627 -0.819 146 HB2 LEU 17 2HB LEU 17 6.960 3.065 1.208 147 HB3 LEU 17 1HB LEU 17 5.641 2.617 0.139 148 HG LEU 17 HG LEU 17 6.004 0.213 1.103 149 HD11 LEU 17 1HD1 LEU 17 7.419 -0.034 2.858 150 HD12 LEU 17 2HD1 LEU 17 6.733 1.367 3.677 151 HD13 LEU 17 3HD1 LEU 17 8.031 1.584 2.503 152 HD21 LEU 17 3HD2 LEU 17 4.939 2.018 3.205 153 HD22 LEU 17 1HD2 LEU 17 4.193 0.620 2.437 154 HD23 LEU 17 2HD2 LEU 17 4.215 2.175 1.604 155 H HIS 18 H HIS 18 7.263 -0.559 0.392 156 HA HIS 18 HA HIS 18 9.519 -0.795 2.096 157 HB2 HIS 18 2HB HIS 18 8.916 -3.092 2.312 158 HB3 HIS 18 1HB HIS 18 7.429 -2.170 2.139 159 HD1 HIS 18 1HD HIS 18 8.776 -5.181 0.967 160 HD2 HIS 18 2HD HIS 18 6.788 -2.020 -0.905 161 HE1 HIS 18 1HE HIS 18 7.880 -6.097 -1.223 162 HE2 HIS 18 2HE HIS 18 6.652 -4.189 -2.379 163 H LEU 19 H LEU 19 8.868 -1.908 -1.151 164 HA LEU 19 HA LEU 19 11.326 -3.149 -1.706 165 HB2 LEU 19 2HB LEU 19 9.005 -2.470 -3.159 166 HB3 LEU 19 1HB LEU 19 10.333 -1.666 -3.991 167 HG LEU 19 HG LEU 19 11.532 -3.745 -4.231 168 HD11 LEU 19 1HD1 LEU 19 11.295 -5.245 -2.563 169 HD12 LEU 19 2HD1 LEU 19 9.798 -5.743 -3.356 170 HD13 LEU 19 3HD1 LEU 19 9.751 -4.544 -2.065 171 HD21 LEU 19 3HD2 LEU 19 9.987 -3.518 -5.990 172 HD22 LEU 19 1HD2 LEU 19 8.605 -3.790 -4.929 173 HD23 LEU 19 2HD2 LEU 19 9.654 -5.138 -5.374 174 H ALA 20 H ALA 20 10.192 0.092 -1.734 175 HA ALA 20 HA ALA 20 12.453 1.355 -2.926 176 HB1 ALA 20 1HB ALA 20 10.010 2.245 -1.999 177 HB2 ALA 20 2HB ALA 20 11.329 3.284 -2.532 178 HB3 ALA 20 3HB ALA 20 11.135 2.916 -0.819 179 H LEU 21 H LEU 21 11.526 0.793 0.424 180 HA LEU 21 HA LEU 21 13.871 1.787 1.633 181 HB2 LEU 21 2HB LEU 21 11.618 1.077 2.721 182 HB3 LEU 21 1HB LEU 21 12.314 -0.541 2.734 183 HG LEU 21 HG LEU 21 13.986 1.708 3.794 184 HD11 LEU 21 1HD1 LEU 21 11.708 2.016 4.793 185 HD12 LEU 21 2HD1 LEU 21 12.937 1.576 5.979 186 HD13 LEU 21 3HD1 LEU 21 11.796 0.361 5.404 187 HD21 LEU 21 3HD2 LEU 21 15.210 -0.192 4.103 188 HD22 LEU 21 1HD2 LEU 21 13.791 -1.242 3.991 189 HD23 LEU 21 2HD2 LEU 21 14.167 -0.422 5.506 190 H ALA 22 H ALA 22 12.895 -1.457 0.664 191 HA ALA 22 HA ALA 22 15.186 -2.875 1.349 192 HB1 ALA 22 1HB ALA 22 14.560 -4.467 -0.423 193 HB2 ALA 22 2HB ALA 22 13.434 -3.282 -1.086 194 HB3 ALA 22 3HB ALA 22 13.149 -3.967 0.513 195 H LEU 23 H LEU 23 14.492 -0.934 -1.501 196 HA LEU 23 HA LEU 23 16.704 -1.498 -3.078 197 HB2 LEU 23 2HB LEU 23 14.732 0.134 -3.526 198 HB3 LEU 23 1HB LEU 23 15.730 1.330 -2.703 199 HG LEU 23 HG LEU 23 17.603 0.653 -4.328 200 HD11 LEU 23 1HD1 LEU 23 17.211 -0.815 -6.005 201 HD12 LEU 23 2HD1 LEU 23 15.607 -0.157 -6.327 202 HD13 LEU 23 3HD1 LEU 23 15.831 -1.342 -5.037 203 HD21 LEU 23 3HD2 LEU 23 15.368 2.431 -4.608 204 HD22 LEU 23 1HD2 LEU 23 15.788 1.800 -6.200 205 HD23 LEU 23 2HD2 LEU 23 17.006 2.624 -5.228 206 H LYS 24 H LYS 24 16.379 0.913 -0.533 207 HA LYS 24 HA LYS 24 19.186 1.600 -0.532 208 HB2 LYS 24 2HB LYS 24 16.757 2.417 0.940 209 HB3 LYS 24 1HB LYS 24 18.236 2.447 1.900 210 HG2 LYS 24 2HG LYS 24 18.191 4.589 0.930 211 HG3 LYS 24 1HG LYS 24 19.274 3.693 -0.129 212 HD2 LYS 24 2HD LYS 24 16.339 3.707 -0.755 213 HD3 LYS 24 1HD LYS 24 17.297 5.135 -1.146 214 HE2 LYS 24 2HE LYS 24 17.931 2.306 -2.059 215 HE3 LYS 24 1HE LYS 24 17.204 3.559 -3.055 216 HZ1 LYS 24 3HZ LYS 24 19.150 4.879 -2.877 217 HZ2 LYS 24 1HZ LYS 24 19.649 3.322 -3.324 218 HZ3 LYS 24 2HZ LYS 24 19.839 3.848 -1.721 219 H LYS 25 H LYS 25 17.037 -0.520 1.139 220 HA LYS 25 HA LYS 25 17.409 -2.410 2.384 221 HB2 LYS 25 2HB LYS 25 19.577 -2.407 0.813 222 HB3 LYS 25 1HB LYS 25 20.366 -2.129 2.366 223 HG2 LYS 25 2HG LYS 25 19.067 -4.105 3.273 224 HG3 LYS 25 1HG LYS 25 18.545 -4.436 1.623 225 HD2 LYS 25 2HD LYS 25 20.430 -5.762 1.658 226 HD3 LYS 25 1HD LYS 25 21.184 -4.246 1.170 227 HE2 LYS 25 2HE LYS 25 22.385 -5.362 3.052 228 HE3 LYS 25 1HE LYS 25 21.801 -3.755 3.476 229 HZ1 LYS 25 3HZ LYS 25 19.848 -5.754 4.006 230 HZ2 LYS 25 1HZ LYS 25 20.520 -4.600 5.062 231 HZ3 LYS 25 2HZ LYS 25 21.301 -6.091 4.807 232 H ALA 26 H ALA 26 18.229 -3.110 4.471 233 HA ALA 26 HA ALA 26 19.217 -0.972 6.223 234 HB1 ALA 26 1HB ALA 26 16.642 -2.525 6.584 235 HB2 ALA 26 2HB ALA 26 16.855 -0.775 6.551 236 HB3 ALA 26 3HB ALA 26 17.452 -1.710 7.921 Start of MODEL 15 1 H1 LYS 1 1HT LYS 1 -0.965 18.339 -6.224 2 H2 LYS 1 2HT LYS 1 -1.365 19.353 -7.522 3 H3 LYS 1 3HT LYS 1 -1.741 17.699 -7.583 4 HA LYS 1 HA LYS 1 -2.844 19.067 -5.305 5 HB2 LYS 1 2HB LYS 1 -4.731 19.946 -6.874 6 HB3 LYS 1 1HB LYS 1 -3.260 20.904 -6.719 7 HG2 LYS 1 2HG LYS 1 -2.382 19.967 -8.797 8 HG3 LYS 1 1HG LYS 1 -3.773 18.896 -8.928 9 HD2 LYS 1 2HD LYS 1 -5.240 20.956 -8.966 10 HD3 LYS 1 1HD LYS 1 -3.769 21.919 -9.087 11 HE2 LYS 1 2HE LYS 1 -5.087 21.116 -11.266 12 HE3 LYS 1 1HE LYS 1 -3.331 21.236 -11.245 13 HZ1 LYS 1 2HZ LYS 1 -4.758 18.744 -10.524 14 HZ2 LYS 1 3HZ LYS 1 -3.115 18.936 -10.914 15 HZ3 LYS 1 1HZ LYS 1 -4.297 19.099 -12.116 16 H LYS 2 H LYS 2 -4.458 17.768 -4.540 17 HA LYS 2 HA LYS 2 -5.702 15.832 -4.310 18 HB2 LYS 2 2HB LYS 2 -6.315 16.384 -7.231 19 HB3 LYS 2 1HB LYS 2 -7.264 15.363 -6.152 20 HG2 LYS 2 2HG LYS 2 -6.750 18.115 -5.175 21 HG3 LYS 2 1HG LYS 2 -7.789 17.995 -6.593 22 HD2 LYS 2 2HD LYS 2 -9.370 16.646 -5.481 23 HD3 LYS 2 1HD LYS 2 -8.249 16.241 -4.182 24 HE2 LYS 2 2HE LYS 2 -10.143 18.062 -3.823 25 HE3 LYS 2 1HE LYS 2 -8.545 18.283 -3.112 26 HZ1 LYS 2 3HZ LYS 2 -9.382 20.259 -4.318 27 HZ2 LYS 2 1HZ LYS 2 -9.366 19.364 -5.756 28 HZ3 LYS 2 2HZ LYS 2 -7.913 19.679 -4.940 29 H ALA 3 H ALA 3 -2.872 15.676 -5.348 30 HA ALA 3 HA ALA 3 -3.059 12.993 -6.576 31 HB1 ALA 3 1HB ALA 3 -2.113 14.370 -8.241 32 HB2 ALA 3 2HB ALA 3 -0.734 13.563 -7.489 33 HB3 ALA 3 3HB ALA 3 -1.114 15.235 -7.078 34 H LEU 4 H LEU 4 -3.201 13.064 -3.894 35 HA LEU 4 HA LEU 4 -0.481 12.361 -2.977 36 HB2 LEU 4 2HB LEU 4 -2.871 13.376 -1.421 37 HB3 LEU 4 1HB LEU 4 -1.418 12.721 -0.666 38 HG LEU 4 HG LEU 4 -0.423 14.557 -2.513 39 HD11 LEU 4 1HD1 LEU 4 -1.659 16.579 -2.273 40 HD12 LEU 4 2HD1 LEU 4 -2.696 15.890 -1.022 41 HD13 LEU 4 3HD1 LEU 4 -2.848 15.350 -2.695 42 HD21 LEU 4 3HD2 LEU 4 -1.010 14.817 0.450 43 HD22 LEU 4 1HD2 LEU 4 0.006 15.941 -0.450 44 HD23 LEU 4 2HD2 LEU 4 0.487 14.251 -0.294 45 H LEU 5 H LEU 5 -3.501 11.617 -1.398 46 HA LEU 5 HA LEU 5 -2.907 8.854 -1.142 47 HB2 LEU 5 2HB LEU 5 -5.634 10.172 -1.010 48 HB3 LEU 5 1HB LEU 5 -5.201 8.598 -0.353 49 HG LEU 5 HG LEU 5 -5.022 9.912 1.550 50 HD11 LEU 5 1HD1 LEU 5 -2.807 8.825 0.933 51 HD12 LEU 5 2HD1 LEU 5 -2.719 10.155 2.086 52 HD13 LEU 5 3HD1 LEU 5 -2.276 10.422 0.399 53 HD21 LEU 5 3HD2 LEU 5 -5.195 12.026 -0.166 54 HD22 LEU 5 1HD2 LEU 5 -3.539 12.206 0.414 55 HD23 LEU 5 2HD2 LEU 5 -4.877 12.181 1.559 56 H ALA 6 H ALA 6 -4.966 10.704 -3.274 57 HA ALA 6 HA ALA 6 -6.050 8.641 -4.816 58 HB1 ALA 6 1HB ALA 6 -5.403 10.944 -6.451 59 HB2 ALA 6 2HB ALA 6 -6.062 11.449 -4.898 60 HB3 ALA 6 3HB ALA 6 -6.983 10.357 -5.934 61 H LEU 7 H LEU 7 -2.931 10.210 -4.917 62 HA LEU 7 HA LEU 7 -2.034 9.185 -7.400 63 HB2 LEU 7 2HB LEU 7 -0.938 10.761 -5.296 64 HB3 LEU 7 1HB LEU 7 0.141 9.394 -5.528 65 HG LEU 7 HG LEU 7 -0.646 11.525 -7.515 66 HD11 LEU 7 1HD1 LEU 7 1.402 11.655 -6.010 67 HD12 LEU 7 2HD1 LEU 7 1.731 11.772 -7.738 68 HD13 LEU 7 3HD1 LEU 7 2.031 10.259 -6.885 69 HD21 LEU 7 3HD2 LEU 7 -0.856 9.872 -9.073 70 HD22 LEU 7 1HD2 LEU 7 -0.121 8.662 -8.021 71 HD23 LEU 7 2HD2 LEU 7 0.901 9.755 -8.956 72 H ALA 8 H ALA 8 -1.289 8.204 -4.106 73 HA ALA 8 HA ALA 8 -0.023 5.783 -4.565 74 HB1 ALA 8 1HB ALA 8 -0.045 5.918 -2.315 75 HB2 ALA 8 2HB ALA 8 -1.701 5.314 -2.365 76 HB3 ALA 8 3HB ALA 8 -1.393 7.050 -2.344 77 H LEU 9 H LEU 9 -3.422 6.405 -4.038 78 HA LEU 9 HA LEU 9 -4.547 3.922 -4.388 79 HB2 LEU 9 2HB LEU 9 -5.544 6.378 -4.028 80 HB3 LEU 9 1HB LEU 9 -5.889 6.199 -5.745 81 HG LEU 9 HG LEU 9 -6.880 4.513 -3.442 82 HD11 LEU 9 1HD1 LEU 9 -8.198 5.938 -5.768 83 HD12 LEU 9 2HD1 LEU 9 -8.227 6.440 -4.077 84 HD13 LEU 9 3HD1 LEU 9 -9.053 4.962 -4.571 85 HD21 LEU 9 3HD2 LEU 9 -6.146 2.869 -5.061 86 HD22 LEU 9 1HD2 LEU 9 -6.826 3.807 -6.392 87 HD23 LEU 9 2HD2 LEU 9 -7.894 3.026 -5.228 88 H HIS 10 H HIS 10 -3.863 6.311 -6.895 89 HA HIS 10 HA HIS 10 -4.760 5.057 -9.148 90 HB2 HIS 10 2HB HIS 10 -3.781 7.265 -9.282 91 HB3 HIS 10 1HB HIS 10 -2.199 6.634 -8.837 92 HD1 HIS 10 1HD HIS 10 -4.455 4.853 -11.271 93 HD2 HIS 10 2HD HIS 10 -1.014 7.214 -11.333 94 HE1 HIS 10 1HE HIS 10 -3.537 4.730 -13.632 95 HE2 HIS 10 2HE HIS 10 -1.429 6.150 -13.683 96 H HIS 11 H HIS 11 -1.435 4.717 -7.940 97 HA HIS 11 HA HIS 11 -0.993 2.387 -9.621 98 HB2 HIS 11 2HB HIS 11 0.921 2.986 -7.420 99 HB3 HIS 11 1HB HIS 11 1.236 2.561 -9.099 100 HD1 HIS 11 1HD HIS 11 1.202 4.498 -10.852 101 HD2 HIS 11 2HD HIS 11 0.710 5.749 -6.903 102 HE1 HIS 11 1HE HIS 11 1.606 7.001 -10.835 103 HE2 HIS 11 2HE HIS 11 1.330 7.775 -8.435 104 H LEU 12 H LEU 12 0.271 0.534 -8.296 105 HA LEU 12 HA LEU 12 -1.710 -0.731 -6.678 106 HB2 LEU 12 2HB LEU 12 1.224 -1.456 -6.882 107 HB3 LEU 12 1HB LEU 12 -0.110 -2.514 -6.414 108 HG LEU 12 HG LEU 12 -0.989 -1.609 -8.843 109 HD11 LEU 12 1HD1 LEU 12 1.756 -2.329 -9.634 110 HD12 LEU 12 2HD1 LEU 12 1.626 -0.755 -8.849 111 HD13 LEU 12 3HD1 LEU 12 0.676 -1.101 -10.294 112 HD21 LEU 12 3HD2 LEU 12 0.830 -3.999 -8.478 113 HD22 LEU 12 1HD2 LEU 12 -0.470 -3.815 -9.654 114 HD23 LEU 12 2HD2 LEU 12 -0.849 -3.959 -7.937 115 H ALA 13 H ALA 13 1.416 0.726 -6.054 116 HA ALA 13 HA ALA 13 2.391 1.639 -4.194 117 HB1 ALA 13 1HB ALA 13 0.206 2.976 -4.364 118 HB2 ALA 13 2HB ALA 13 1.029 2.981 -2.804 119 HB3 ALA 13 3HB ALA 13 -0.382 1.953 -3.054 120 H HIS 14 H HIS 14 2.424 1.517 -1.737 121 HA HIS 14 HA HIS 14 2.707 0.333 0.185 122 HB2 HIS 14 2HB HIS 14 0.387 -1.074 -1.050 123 HB3 HIS 14 1HB HIS 14 1.240 -1.890 0.258 124 HD1 HIS 14 1HD HIS 14 1.572 -0.355 2.507 125 HD2 HIS 14 2HD HIS 14 -1.375 0.890 -0.177 126 HE1 HIS 14 1HE HIS 14 0.096 1.286 3.760 127 HE2 HIS 14 2HE HIS 14 -1.695 2.064 2.134 128 H LEU 15 H LEU 15 2.716 -1.321 -2.824 129 HA LEU 15 HA LEU 15 4.397 -3.503 -1.962 130 HB2 LEU 15 2HB LEU 15 2.675 -3.194 -4.033 131 HB3 LEU 15 1HB LEU 15 4.206 -2.848 -4.841 132 HG LEU 15 HG LEU 15 4.280 -5.192 -3.045 133 HD11 LEU 15 1HD1 LEU 15 3.204 -6.459 -5.158 134 HD12 LEU 15 2HD1 LEU 15 2.284 -4.956 -5.240 135 HD13 LEU 15 3HD1 LEU 15 2.242 -5.932 -3.773 136 HD21 LEU 15 3HD2 LEU 15 6.049 -4.361 -4.726 137 HD22 LEU 15 1HD2 LEU 15 4.986 -4.989 -5.980 138 HD23 LEU 15 2HD2 LEU 15 5.663 -6.078 -4.774 139 H ALA 16 H ALA 16 4.883 -0.281 -2.757 140 HA ALA 16 HA ALA 16 7.627 -0.773 -3.688 141 HB1 ALA 16 1HB ALA 16 5.914 0.736 -4.938 142 HB2 ALA 16 2HB ALA 16 7.580 1.289 -4.760 143 HB3 ALA 16 3HB ALA 16 6.325 1.922 -3.696 144 H LEU 17 H LEU 17 5.864 1.256 -1.379 145 HA LEU 17 HA LEU 17 7.764 2.745 -0.228 146 HB2 LEU 17 2HB LEU 17 6.551 2.724 1.830 147 HB3 LEU 17 1HB LEU 17 5.385 2.590 0.519 148 HG LEU 17 HG LEU 17 5.730 -0.015 0.964 149 HD11 LEU 17 1HD1 LEU 17 6.498 -0.602 3.052 150 HD12 LEU 17 2HD1 LEU 17 5.892 0.874 3.798 151 HD13 LEU 17 3HD1 LEU 17 7.406 0.903 2.899 152 HD21 LEU 17 3HD2 LEU 17 3.718 1.701 1.353 153 HD22 LEU 17 1HD2 LEU 17 4.101 1.366 3.042 154 HD23 LEU 17 2HD2 LEU 17 3.656 0.045 1.962 155 H HIS 18 H HIS 18 7.203 -0.596 0.596 156 HA HIS 18 HA HIS 18 9.406 -0.789 2.422 157 HB2 HIS 18 2HB HIS 18 8.861 -3.107 2.551 158 HB3 HIS 18 1HB HIS 18 7.347 -2.241 2.351 159 HD1 HIS 18 1HD HIS 18 9.189 -4.991 0.946 160 HD2 HIS 18 2HD HIS 18 6.526 -2.130 -0.526 161 HE1 HIS 18 1HE HIS 18 8.393 -5.847 -1.308 162 HE2 HIS 18 2HE HIS 18 6.737 -4.130 -2.205 163 H LEU 19 H LEU 19 8.823 -1.842 -0.850 164 HA LEU 19 HA LEU 19 11.305 -3.012 -1.394 165 HB2 LEU 19 2HB LEU 19 9.275 -3.154 -2.864 166 HB3 LEU 19 1HB LEU 19 9.554 -1.478 -3.331 167 HG LEU 19 HG LEU 19 11.989 -3.060 -3.581 168 HD11 LEU 19 1HD1 LEU 19 11.304 -4.540 -5.353 169 HD12 LEU 19 2HD1 LEU 19 9.666 -3.886 -5.341 170 HD13 LEU 19 3HD1 LEU 19 10.246 -4.846 -3.977 171 HD21 LEU 19 3HD2 LEU 19 11.889 -0.998 -4.719 172 HD22 LEU 19 1HD2 LEU 19 10.259 -1.299 -5.320 173 HD23 LEU 19 2HD2 LEU 19 11.628 -2.174 -6.006 174 H ALA 20 H ALA 20 10.180 0.252 -1.275 175 HA ALA 20 HA ALA 20 12.361 1.525 -2.573 176 HB1 ALA 20 1HB ALA 20 10.085 2.539 -1.847 177 HB2 ALA 20 2HB ALA 20 11.525 3.552 -1.711 178 HB3 ALA 20 3HB ALA 20 10.857 2.771 -0.278 179 H LEU 21 H LEU 21 11.699 0.677 0.768 180 HA LEU 21 HA LEU 21 14.151 1.678 1.829 181 HB2 LEU 21 2HB LEU 21 11.958 -0.094 2.796 182 HB3 LEU 21 1HB LEU 21 13.511 -0.207 3.620 183 HG LEU 21 HG LEU 21 13.469 2.090 4.245 184 HD11 LEU 21 1HD1 LEU 21 11.475 3.527 3.455 185 HD12 LEU 21 2HD1 LEU 21 11.261 2.312 2.197 186 HD13 LEU 21 3HD1 LEU 21 12.765 3.227 2.292 187 HD21 LEU 21 3HD2 LEU 21 11.306 2.303 5.439 188 HD22 LEU 21 1HD2 LEU 21 11.971 0.678 5.588 189 HD23 LEU 21 2HD2 LEU 21 10.647 0.992 4.464 190 H ALA 22 H ALA 22 13.008 -1.495 0.827 191 HA ALA 22 HA ALA 22 15.339 -2.966 1.350 192 HB1 ALA 22 1HB ALA 22 14.314 -4.695 0.246 193 HB2 ALA 22 2HB ALA 22 13.755 -3.662 -1.070 194 HB3 ALA 22 3HB ALA 22 12.908 -3.658 0.477 195 H LEU 23 H LEU 23 14.341 -1.171 -1.515 196 HA LEU 23 HA LEU 23 16.421 -1.875 -3.236 197 HB2 LEU 23 2HB LEU 23 14.380 0.151 -3.152 198 HB3 LEU 23 1HB LEU 23 15.904 0.879 -3.657 199 HG LEU 23 HG LEU 23 14.617 0.003 -5.595 200 HD11 LEU 23 1HD1 LEU 23 17.309 -0.316 -5.038 201 HD12 LEU 23 2HD1 LEU 23 16.558 -0.548 -6.615 202 HD13 LEU 23 3HD1 LEU 23 16.819 -1.930 -5.555 203 HD21 LEU 23 3HD2 LEU 23 13.896 -2.046 -3.950 204 HD22 LEU 23 1HD2 LEU 23 15.206 -2.811 -4.847 205 HD23 LEU 23 2HD2 LEU 23 13.818 -2.145 -5.708 206 H LYS 24 H LYS 24 16.233 0.842 -0.987 207 HA LYS 24 HA LYS 24 18.960 1.652 -1.409 208 HB2 LYS 24 2HB LYS 24 17.116 2.326 0.903 209 HB3 LYS 24 1HB LYS 24 18.593 3.181 0.460 210 HG2 LYS 24 2HG LYS 24 17.601 3.784 -1.720 211 HG3 LYS 24 1HG LYS 24 16.121 2.930 -1.284 212 HD2 LYS 24 2HD LYS 24 17.232 5.127 0.464 213 HD3 LYS 24 1HD LYS 24 16.192 5.493 -0.912 214 HE2 LYS 24 2HE LYS 24 14.350 4.333 0.003 215 HE3 LYS 24 1HE LYS 24 15.362 3.434 1.132 216 HZ1 LYS 24 3HZ LYS 24 15.740 6.134 1.665 217 HZ2 LYS 24 1HZ LYS 24 14.952 4.982 2.626 218 HZ3 LYS 24 2HZ LYS 24 14.067 5.904 1.503 219 H LYS 25 H LYS 25 17.251 -0.415 0.809 220 HA LYS 25 HA LYS 25 17.934 -1.923 2.374 221 HB2 LYS 25 2HB LYS 25 19.909 -2.055 0.369 222 HB3 LYS 25 1HB LYS 25 20.784 -1.989 1.896 223 HG2 LYS 25 2HG LYS 25 18.524 -3.900 1.235 224 HG3 LYS 25 1HG LYS 25 20.233 -4.318 1.309 225 HD2 LYS 25 2HD LYS 25 18.636 -3.219 3.647 226 HD3 LYS 25 1HD LYS 25 18.994 -4.924 3.404 227 HE2 LYS 25 2HE LYS 25 20.917 -2.674 4.019 228 HE3 LYS 25 1HE LYS 25 20.670 -4.177 4.905 229 HZ1 LYS 25 3HZ LYS 25 22.651 -4.407 3.673 230 HZ2 LYS 25 1HZ LYS 25 21.931 -3.837 2.249 231 HZ3 LYS 25 2HZ LYS 25 21.482 -5.347 2.881 232 H ALA 26 H ALA 26 17.452 0.113 3.574 233 HA ALA 26 HA ALA 26 19.353 0.401 5.682 234 HB1 ALA 26 1HB ALA 26 20.039 2.640 5.426 235 HB2 ALA 26 2HB ALA 26 18.842 2.961 4.171 236 HB3 ALA 26 3HB ALA 26 20.240 1.944 3.818 Start of MODEL 16 1 H1 LYS 1 1HT LYS 1 -14.787 -5.966 -12.524 2 H2 LYS 1 2HT LYS 1 -14.403 -5.283 -11.018 3 H3 LYS 1 3HT LYS 1 -14.946 -6.888 -11.113 4 HA LYS 1 HA LYS 1 -12.405 -6.273 -10.884 5 HB2 LYS 1 2HB LYS 1 -13.864 -8.545 -11.341 6 HB3 LYS 1 1HB LYS 1 -12.873 -8.489 -12.797 7 HG2 LYS 1 2HG LYS 1 -10.852 -8.575 -11.568 8 HG3 LYS 1 1HG LYS 1 -11.650 -8.117 -10.060 9 HD2 LYS 1 2HD LYS 1 -12.972 -10.287 -10.244 10 HD3 LYS 1 1HD LYS 1 -11.874 -10.747 -11.542 11 HE2 LYS 1 2HE LYS 1 -10.873 -9.896 -8.821 12 HE3 LYS 1 1HE LYS 1 -11.278 -11.571 -9.186 13 HZ1 LYS 1 2HZ LYS 1 -8.996 -11.341 -9.612 14 HZ2 LYS 1 3HZ LYS 1 -9.203 -9.884 -10.460 15 HZ3 LYS 1 1HZ LYS 1 -9.734 -11.344 -11.138 16 H LYS 2 H LYS 2 -12.810 -4.171 -12.406 17 HA LYS 2 HA LYS 2 -11.328 -4.746 -14.892 18 HB2 LYS 2 2HB LYS 2 -13.817 -3.116 -14.510 19 HB3 LYS 2 1HB LYS 2 -12.651 -2.639 -15.743 20 HG2 LYS 2 2HG LYS 2 -13.219 -5.518 -15.756 21 HG3 LYS 2 1HG LYS 2 -14.644 -4.528 -16.077 22 HD2 LYS 2 2HD LYS 2 -13.226 -3.261 -17.782 23 HD3 LYS 2 1HD LYS 2 -12.017 -4.530 -17.584 24 HE2 LYS 2 2HE LYS 2 -14.801 -4.740 -18.724 25 HE3 LYS 2 1HE LYS 2 -13.276 -5.298 -19.416 26 HZ1 LYS 2 3HZ LYS 2 -13.147 -6.921 -17.579 27 HZ2 LYS 2 1HZ LYS 2 -14.478 -7.170 -18.594 28 HZ3 LYS 2 2HZ LYS 2 -14.695 -6.447 -17.075 29 H ALA 3 H ALA 3 -9.647 -4.255 -13.178 30 HA ALA 3 HA ALA 3 -9.349 -1.593 -12.202 31 HB1 ALA 3 1HB ALA 3 -7.158 -2.279 -11.482 32 HB2 ALA 3 2HB ALA 3 -7.141 -3.628 -12.619 33 HB3 ALA 3 3HB ALA 3 -8.236 -3.653 -11.235 34 H LEU 4 H LEU 4 -9.653 -0.226 -13.986 35 HA LEU 4 HA LEU 4 -7.589 -0.352 -16.085 36 HB2 LEU 4 2HB LEU 4 -10.297 0.980 -15.940 37 HB3 LEU 4 1HB LEU 4 -9.117 1.396 -17.184 38 HG LEU 4 HG LEU 4 -9.821 -1.488 -16.685 39 HD11 LEU 4 1HD1 LEU 4 -11.969 -0.332 -17.001 40 HD12 LEU 4 2HD1 LEU 4 -11.565 -1.294 -18.425 41 HD13 LEU 4 3HD1 LEU 4 -11.344 0.457 -18.453 42 HD21 LEU 4 3HD2 LEU 4 -9.160 -0.082 -19.273 43 HD22 LEU 4 1HD2 LEU 4 -8.998 -1.789 -18.880 44 HD23 LEU 4 2HD2 LEU 4 -7.894 -0.616 -18.168 45 H LEU 5 H LEU 5 -9.398 2.423 -14.979 46 HA LEU 5 HA LEU 5 -7.295 4.240 -15.007 47 HB2 LEU 5 2HB LEU 5 -9.483 5.144 -14.833 48 HB3 LEU 5 1HB LEU 5 -9.863 4.158 -13.425 49 HG LEU 5 HG LEU 5 -8.188 5.418 -12.100 50 HD11 LEU 5 1HD1 LEU 5 -6.681 6.054 -13.927 51 HD12 LEU 5 2HD1 LEU 5 -7.236 7.491 -13.069 52 HD13 LEU 5 3HD1 LEU 5 -7.945 7.071 -14.629 53 HD21 LEU 5 3HD2 LEU 5 -10.011 7.400 -13.463 54 HD22 LEU 5 1HD2 LEU 5 -9.537 7.333 -11.768 55 HD23 LEU 5 2HD2 LEU 5 -10.653 6.135 -12.418 56 H ALA 6 H ALA 6 -8.502 2.183 -12.454 57 HA ALA 6 HA ALA 6 -6.908 2.997 -10.320 58 HB1 ALA 6 1HB ALA 6 -8.735 0.933 -10.769 59 HB2 ALA 6 2HB ALA 6 -7.901 1.281 -9.254 60 HB3 ALA 6 3HB ALA 6 -7.226 0.105 -10.381 61 H LEU 7 H LEU 7 -6.258 0.530 -12.776 62 HA LEU 7 HA LEU 7 -3.783 -0.362 -11.901 63 HB2 LEU 7 2HB LEU 7 -5.056 -1.300 -13.829 64 HB3 LEU 7 1HB LEU 7 -4.612 0.115 -14.776 65 HG LEU 7 HG LEU 7 -3.190 -2.027 -15.043 66 HD11 LEU 7 1HD1 LEU 7 -2.618 0.651 -15.356 67 HD12 LEU 7 2HD1 LEU 7 -1.593 -0.674 -15.906 68 HD13 LEU 7 3HD1 LEU 7 -1.278 0.096 -14.349 69 HD21 LEU 7 3HD2 LEU 7 -1.804 -0.971 -12.575 70 HD22 LEU 7 1HD2 LEU 7 -1.567 -2.513 -13.397 71 HD23 LEU 7 2HD2 LEU 7 -3.034 -2.231 -12.465 72 H ALA 8 H ALA 8 -4.579 2.413 -13.867 73 HA ALA 8 HA ALA 8 -1.902 3.317 -14.270 74 HB1 ALA 8 1HB ALA 8 -4.431 3.977 -15.263 75 HB2 ALA 8 2HB ALA 8 -2.900 4.737 -15.696 76 HB3 ALA 8 3HB ALA 8 -3.886 5.424 -14.406 77 H LEU 9 H LEU 9 -4.552 4.552 -12.322 78 HA LEU 9 HA LEU 9 -3.028 6.509 -10.960 79 HB2 LEU 9 2HB LEU 9 -5.418 6.746 -11.068 80 HB3 LEU 9 1HB LEU 9 -5.656 5.184 -10.289 81 HG LEU 9 HG LEU 9 -4.638 6.030 -8.222 82 HD11 LEU 9 1HD1 LEU 9 -4.148 8.451 -9.940 83 HD12 LEU 9 2HD1 LEU 9 -3.036 7.617 -8.856 84 HD13 LEU 9 3HD1 LEU 9 -4.321 8.629 -8.196 85 HD21 LEU 9 3HD2 LEU 9 -6.374 8.226 -8.244 86 HD22 LEU 9 1HD2 LEU 9 -6.789 6.576 -7.780 87 HD23 LEU 9 2HD2 LEU 9 -7.061 7.122 -9.433 88 H HIS 10 H HIS 10 -4.108 3.299 -9.957 89 HA HIS 10 HA HIS 10 -2.795 3.403 -7.416 90 HB2 HIS 10 2HB HIS 10 -4.795 1.920 -8.103 91 HB3 HIS 10 1HB HIS 10 -3.593 0.857 -8.830 92 HD1 HIS 10 1HD HIS 10 -3.698 2.745 -5.513 93 HD2 HIS 10 2HD HIS 10 -3.020 -1.100 -6.990 94 HE1 HIS 10 1HE HIS 10 -3.139 1.294 -3.511 95 HE2 HIS 10 2HE HIS 10 -2.672 -1.048 -4.399 96 H HIS 11 H HIS 11 -1.444 1.096 -7.107 97 HA HIS 11 HA HIS 11 0.642 0.172 -7.301 98 HB2 HIS 11 2HB HIS 11 0.358 0.892 -10.230 99 HB3 HIS 11 1HB HIS 11 1.477 -0.284 -9.545 100 HD1 HIS 11 1HD HIS 11 0.521 -2.569 -8.815 101 HD2 HIS 11 2HD HIS 11 -2.392 0.058 -10.241 102 HE1 HIS 11 1HE HIS 11 -1.590 -3.931 -9.133 103 HE2 HIS 11 2HE HIS 11 -3.381 -2.346 -9.979 104 H LEU 12 H LEU 12 0.279 3.049 -6.769 105 HA LEU 12 HA LEU 12 2.542 4.369 -8.018 106 HB2 LEU 12 2HB LEU 12 0.408 5.128 -6.084 107 HB3 LEU 12 1HB LEU 12 1.927 6.013 -5.986 108 HG LEU 12 HG LEU 12 0.448 5.612 -8.598 109 HD11 LEU 12 1HD1 LEU 12 -0.212 8.082 -8.181 110 HD12 LEU 12 2HD1 LEU 12 0.154 7.757 -6.488 111 HD13 LEU 12 3HD1 LEU 12 -1.113 6.846 -7.307 112 HD21 LEU 12 3HD2 LEU 12 2.654 7.452 -7.631 113 HD22 LEU 12 1HD2 LEU 12 1.800 7.692 -9.158 114 HD23 LEU 12 2HD2 LEU 12 2.755 6.230 -8.900 115 H ALA 13 H ALA 13 1.767 4.094 -4.603 116 HA ALA 13 HA ALA 13 4.322 2.792 -4.074 117 HB1 ALA 13 1HB ALA 13 5.314 4.781 -3.647 118 HB2 ALA 13 2HB ALA 13 4.439 4.670 -2.122 119 HB3 ALA 13 3HB ALA 13 3.775 5.624 -3.445 120 H HIS 14 H HIS 14 4.281 1.542 -2.369 121 HA HIS 14 HA HIS 14 3.046 1.623 0.029 122 HB2 HIS 14 2HB HIS 14 1.010 1.240 -1.994 123 HB3 HIS 14 1HB HIS 14 1.109 -0.181 -0.954 124 HD1 HIS 14 1HD HIS 14 -0.536 0.049 0.909 125 HD2 HIS 14 2HD HIS 14 1.293 3.699 0.008 126 HE1 HIS 14 1HE HIS 14 -1.444 1.745 2.571 127 HE2 HIS 14 2HE HIS 14 -0.353 3.986 2.015 128 H LEU 15 H LEU 15 2.671 -0.818 -2.489 129 HA LEU 15 HA LEU 15 3.893 -2.879 -0.891 130 HB2 LEU 15 2HB LEU 15 2.906 -2.679 -3.728 131 HB3 LEU 15 1HB LEU 15 3.954 -4.022 -3.267 132 HG LEU 15 HG LEU 15 2.357 -4.430 -1.317 133 HD11 LEU 15 1HD1 LEU 15 -0.035 -3.509 -2.214 134 HD12 LEU 15 2HD1 LEU 15 1.004 -2.182 -2.716 135 HD13 LEU 15 3HD1 LEU 15 0.935 -2.651 -1.019 136 HD21 LEU 15 3HD2 LEU 15 0.759 -5.657 -2.724 137 HD22 LEU 15 1HD2 LEU 15 2.390 -5.814 -3.382 138 HD23 LEU 15 2HD2 LEU 15 1.241 -4.705 -4.127 139 H ALA 16 H ALA 16 4.879 -0.465 -3.100 140 HA ALA 16 HA ALA 16 7.486 -1.590 -3.624 141 HB1 ALA 16 1HB ALA 16 7.479 1.174 -4.241 142 HB2 ALA 16 2HB ALA 16 5.890 0.557 -4.694 143 HB3 ALA 16 3HB ALA 16 7.345 -0.177 -5.370 144 H LEU 17 H LEU 17 6.022 0.750 -1.490 145 HA LEU 17 HA LEU 17 8.083 2.205 -0.499 146 HB2 LEU 17 2HB LEU 17 6.528 2.808 1.007 147 HB3 LEU 17 1HB LEU 17 5.491 1.537 0.374 148 HG LEU 17 HG LEU 17 6.750 -0.048 1.979 149 HD11 LEU 17 1HD1 LEU 17 7.262 2.220 3.779 150 HD12 LEU 17 2HD1 LEU 17 8.336 2.175 2.381 151 HD13 LEU 17 3HD1 LEU 17 8.245 0.788 3.468 152 HD21 LEU 17 3HD2 LEU 17 4.967 2.179 2.999 153 HD22 LEU 17 1HD2 LEU 17 5.334 0.715 3.911 154 HD23 LEU 17 2HD2 LEU 17 4.452 0.604 2.387 155 H HIS 18 H HIS 18 7.249 -1.077 0.356 156 HA HIS 18 HA HIS 18 9.350 -1.536 2.205 157 HB2 HIS 18 2HB HIS 18 8.220 -3.657 0.396 158 HB3 HIS 18 1HB HIS 18 8.800 -3.815 2.045 159 HD1 HIS 18 1HD HIS 18 7.133 -3.347 3.931 160 HD2 HIS 18 2HD HIS 18 5.676 -2.332 0.162 161 HE1 HIS 18 1HE HIS 18 4.683 -2.757 4.240 162 HE2 HIS 18 2HE HIS 18 3.782 -2.116 1.946 163 H LEU 19 H LEU 19 8.958 -2.475 -1.151 164 HA LEU 19 HA LEU 19 11.524 -3.451 -1.650 165 HB2 LEU 19 2HB LEU 19 9.999 -3.883 -3.349 166 HB3 LEU 19 1HB LEU 19 9.357 -2.244 -3.327 167 HG LEU 19 HG LEU 19 12.220 -2.630 -4.125 168 HD11 LEU 19 1HD1 LEU 19 10.209 -4.118 -5.369 169 HD12 LEU 19 2HD1 LEU 19 11.791 -3.728 -6.042 170 HD13 LEU 19 3HD1 LEU 19 10.404 -2.701 -6.401 171 HD21 LEU 19 3HD2 LEU 19 10.487 -0.468 -3.993 172 HD22 LEU 19 1HD2 LEU 19 10.434 -0.904 -5.698 173 HD23 LEU 19 2HD2 LEU 19 11.973 -0.521 -4.937 174 H ALA 20 H ALA 20 10.268 -0.249 -1.419 175 HA ALA 20 HA ALA 20 12.448 1.159 -2.585 176 HB1 ALA 20 1HB ALA 20 11.413 3.099 -1.850 177 HB2 ALA 20 2HB ALA 20 10.866 2.356 -0.345 178 HB3 ALA 20 3HB ALA 20 10.041 1.987 -1.860 179 H LEU 21 H LEU 21 11.572 0.484 0.766 180 HA LEU 21 HA LEU 21 13.953 1.478 1.927 181 HB2 LEU 21 2HB LEU 21 11.763 -0.355 2.801 182 HB3 LEU 21 1HB LEU 21 13.272 -0.385 3.717 183 HG LEU 21 HG LEU 21 13.137 2.055 4.043 184 HD11 LEU 21 1HD1 LEU 21 11.938 2.581 1.951 185 HD12 LEU 21 2HD1 LEU 21 11.119 3.266 3.349 186 HD13 LEU 21 3HD1 LEU 21 10.491 1.808 2.591 187 HD21 LEU 21 3HD2 LEU 21 10.568 0.611 4.761 188 HD22 LEU 21 1HD2 LEU 21 11.177 2.072 5.534 189 HD23 LEU 21 2HD2 LEU 21 12.069 0.560 5.689 190 H ALA 22 H ALA 22 12.995 -1.578 0.590 191 HA ALA 22 HA ALA 22 15.300 -3.069 1.332 192 HB1 ALA 22 1HB ALA 22 14.412 -4.778 0.066 193 HB2 ALA 22 2HB ALA 22 13.873 -3.690 -1.213 194 HB3 ALA 22 3HB ALA 22 12.959 -3.809 0.290 195 H LEU 23 H LEU 23 14.451 -1.073 -1.412 196 HA LEU 23 HA LEU 23 16.846 -1.620 -2.907 197 HB2 LEU 23 2HB LEU 23 14.726 -0.981 -4.016 198 HB3 LEU 23 1HB LEU 23 14.800 0.589 -3.216 199 HG LEU 23 HG LEU 23 17.169 0.768 -4.321 200 HD11 LEU 23 1HD1 LEU 23 17.335 -1.524 -5.126 201 HD12 LEU 23 2HD1 LEU 23 17.232 -0.444 -6.518 202 HD13 LEU 23 3HD1 LEU 23 15.817 -1.366 -6.006 203 HD21 LEU 23 3HD2 LEU 23 14.876 0.850 -6.271 204 HD22 LEU 23 1HD2 LEU 23 16.209 1.988 -6.074 205 HD23 LEU 23 2HD2 LEU 23 14.905 1.948 -4.890 206 H LYS 24 H LYS 24 15.594 1.206 -1.183 207 HA LYS 24 HA LYS 24 17.974 2.742 -1.432 208 HB2 LYS 24 2HB LYS 24 15.700 2.948 0.539 209 HB3 LYS 24 1HB LYS 24 16.961 4.164 0.327 210 HG2 LYS 24 2HG LYS 24 16.142 4.864 -1.714 211 HG3 LYS 24 1HG LYS 24 15.502 3.272 -2.123 212 HD2 LYS 24 2HD LYS 24 13.793 5.134 -1.578 213 HD3 LYS 24 1HD LYS 24 13.570 3.575 -0.787 214 HE2 LYS 24 2HE LYS 24 13.329 5.424 0.828 215 HE3 LYS 24 1HE LYS 24 14.722 4.425 1.228 216 HZ1 LYS 24 3HZ LYS 24 15.902 6.182 -0.335 217 HZ2 LYS 24 1HZ LYS 24 15.685 6.468 1.323 218 HZ3 LYS 24 2HZ LYS 24 14.620 7.158 0.198 219 H LYS 25 H LYS 25 16.711 0.586 1.009 220 HA LYS 25 HA LYS 25 17.821 -0.606 2.655 221 HB2 LYS 25 2HB LYS 25 19.862 -0.391 1.119 222 HB3 LYS 25 1HB LYS 25 20.306 1.011 2.087 223 HG2 LYS 25 2HG LYS 25 21.455 -0.822 3.073 224 HG3 LYS 25 1HG LYS 25 20.090 -0.497 4.139 225 HD2 LYS 25 2HD LYS 25 18.941 -2.405 3.485 226 HD3 LYS 25 1HD LYS 25 19.718 -2.458 1.901 227 HE2 LYS 25 2HE LYS 25 21.201 -2.951 4.488 228 HE3 LYS 25 1HE LYS 25 20.475 -4.242 3.531 229 HZ1 LYS 25 3HZ LYS 25 22.952 -3.076 3.153 230 HZ2 LYS 25 1HZ LYS 25 21.989 -2.528 1.871 231 HZ3 LYS 25 2HZ LYS 25 22.168 -4.192 2.138 232 H ALA 26 H ALA 26 20.133 1.439 3.781 233 HA ALA 26 HA ALA 26 18.322 2.512 5.816 234 HB1 ALA 26 1HB ALA 26 20.569 3.290 6.827 235 HB2 ALA 26 2HB ALA 26 21.322 2.272 5.598 236 HB3 ALA 26 3HB ALA 26 20.244 1.553 6.796 Start of MODEL 17 1 H1 LYS 1 1HT LYS 1 -9.764 4.007 -14.423 2 H2 LYS 1 2HT LYS 1 -10.684 3.189 -15.590 3 H3 LYS 1 3HT LYS 1 -11.454 4.029 -14.334 4 HA LYS 1 HA LYS 1 -10.952 4.993 -16.828 5 HB2 LYS 1 2HB LYS 1 -11.337 6.541 -14.237 6 HB3 LYS 1 1HB LYS 1 -11.658 7.151 -15.861 7 HG2 LYS 1 2HG LYS 1 -13.304 5.257 -16.166 8 HG3 LYS 1 1HG LYS 1 -13.093 4.878 -14.456 9 HD2 LYS 1 2HD LYS 1 -13.556 7.679 -14.620 10 HD3 LYS 1 1HD LYS 1 -14.753 6.905 -15.659 11 HE2 LYS 1 2HE LYS 1 -15.619 7.081 -13.368 12 HE3 LYS 1 1HE LYS 1 -15.374 5.387 -13.788 13 HZ1 LYS 1 2HZ LYS 1 -13.527 5.230 -12.448 14 HZ2 LYS 1 3HZ LYS 1 -14.501 6.286 -11.548 15 HZ3 LYS 1 1HZ LYS 1 -13.216 6.899 -12.468 16 H LYS 2 H LYS 2 -9.718 7.016 -17.387 17 HA LYS 2 HA LYS 2 -6.931 6.659 -16.881 18 HB2 LYS 2 2HB LYS 2 -8.361 9.058 -18.075 19 HB3 LYS 2 1HB LYS 2 -6.639 8.704 -18.207 20 HG2 LYS 2 2HG LYS 2 -6.960 7.138 -19.835 21 HG3 LYS 2 1HG LYS 2 -8.383 6.474 -19.036 22 HD2 LYS 2 2HD LYS 2 -9.129 7.449 -21.114 23 HD3 LYS 2 1HD LYS 2 -9.670 8.512 -19.817 24 HE2 LYS 2 2HE LYS 2 -8.472 9.523 -21.950 25 HE3 LYS 2 1HE LYS 2 -8.118 10.177 -20.351 26 HZ1 LYS 2 3HZ LYS 2 -6.124 9.672 -21.707 27 HZ2 LYS 2 1HZ LYS 2 -6.542 8.030 -21.663 28 HZ3 LYS 2 2HZ LYS 2 -6.152 8.847 -20.223 29 H ALA 3 H ALA 3 -7.974 6.808 -14.409 30 HA ALA 3 HA ALA 3 -7.554 9.547 -13.431 31 HB1 ALA 3 1HB ALA 3 -9.492 8.685 -12.446 32 HB2 ALA 3 2HB ALA 3 -8.271 8.357 -11.219 33 HB3 ALA 3 3HB ALA 3 -8.811 7.065 -12.289 34 H LEU 4 H LEU 4 -5.400 7.739 -14.437 35 HA LEU 4 HA LEU 4 -3.885 6.494 -12.539 36 HB2 LEU 4 2HB LEU 4 -1.887 7.603 -13.888 37 HB3 LEU 4 1HB LEU 4 -2.892 6.354 -14.617 38 HG LEU 4 HG LEU 4 -3.914 9.128 -14.896 39 HD11 LEU 4 1HD1 LEU 4 -1.385 8.173 -16.249 40 HD12 LEU 4 2HD1 LEU 4 -1.585 9.616 -15.254 41 HD13 LEU 4 3HD1 LEU 4 -2.356 9.521 -16.839 42 HD21 LEU 4 3HD2 LEU 4 -3.443 7.257 -17.172 43 HD22 LEU 4 1HD2 LEU 4 -4.837 8.285 -16.832 44 HD23 LEU 4 2HD2 LEU 4 -4.630 6.767 -15.959 45 H LEU 5 H LEU 5 -3.827 9.918 -13.332 46 HA LEU 5 HA LEU 5 -1.968 10.844 -11.511 47 HB2 LEU 5 2HB LEU 5 -4.243 12.640 -11.562 48 HB3 LEU 5 1HB LEU 5 -2.633 12.867 -12.243 49 HG LEU 5 HG LEU 5 -3.399 11.363 -14.180 50 HD11 LEU 5 1HD1 LEU 5 -5.551 10.827 -12.613 51 HD12 LEU 5 2HD1 LEU 5 -5.589 10.712 -14.370 52 HD13 LEU 5 3HD1 LEU 5 -6.194 12.160 -13.573 53 HD21 LEU 5 3HD2 LEU 5 -5.049 13.872 -13.953 54 HD22 LEU 5 1HD2 LEU 5 -4.221 13.217 -15.368 55 HD23 LEU 5 2HD2 LEU 5 -3.291 13.961 -14.064 56 H ALA 6 H ALA 6 -5.354 10.095 -11.053 57 HA ALA 6 HA ALA 6 -5.426 10.903 -8.294 58 HB1 ALA 6 1HB ALA 6 -7.669 10.154 -8.291 59 HB2 ALA 6 2HB ALA 6 -7.379 9.025 -9.613 60 HB3 ALA 6 3HB ALA 6 -7.420 10.757 -9.929 61 H LEU 7 H LEU 7 -5.118 7.876 -10.067 62 HA LEU 7 HA LEU 7 -5.191 6.097 -7.871 63 HB2 LEU 7 2HB LEU 7 -3.610 5.855 -10.452 64 HB3 LEU 7 1HB LEU 7 -3.942 4.536 -9.327 65 HG LEU 7 HG LEU 7 -5.998 6.121 -10.891 66 HD11 LEU 7 1HD1 LEU 7 -5.280 3.181 -10.982 67 HD12 LEU 7 2HD1 LEU 7 -4.673 4.376 -12.129 68 HD13 LEU 7 3HD1 LEU 7 -6.403 4.031 -12.045 69 HD21 LEU 7 3HD2 LEU 7 -7.035 5.648 -8.835 70 HD22 LEU 7 1HD2 LEU 7 -6.196 4.107 -8.661 71 HD23 LEU 7 2HD2 LEU 7 -7.496 4.273 -9.842 72 H ALA 8 H ALA 8 -2.509 7.426 -9.644 73 HA ALA 8 HA ALA 8 -0.353 6.614 -8.112 74 HB1 ALA 8 1HB ALA 8 0.739 8.762 -8.886 75 HB2 ALA 8 2HB ALA 8 -0.815 9.215 -9.581 76 HB3 ALA 8 3HB ALA 8 0.033 7.789 -10.173 77 H LEU 9 H LEU 9 -2.148 9.618 -7.838 78 HA LEU 9 HA LEU 9 -0.943 10.622 -5.525 79 HB2 LEU 9 2HB LEU 9 -2.386 12.034 -6.853 80 HB3 LEU 9 1HB LEU 9 -3.765 10.976 -6.568 81 HG LEU 9 HG LEU 9 -3.692 11.492 -4.163 82 HD11 LEU 9 1HD1 LEU 9 -1.359 13.280 -4.942 83 HD12 LEU 9 2HD1 LEU 9 -1.292 11.863 -3.891 84 HD13 LEU 9 3HD1 LEU 9 -2.159 13.309 -3.368 85 HD21 LEU 9 3HD2 LEU 9 -5.014 12.952 -5.676 86 HD22 LEU 9 1HD2 LEU 9 -3.612 14.009 -5.858 87 HD23 LEU 9 2HD2 LEU 9 -4.390 13.835 -4.286 88 H HIS 10 H HIS 10 -3.871 8.691 -5.867 89 HA HIS 10 HA HIS 10 -4.474 8.408 -3.145 90 HB2 HIS 10 2HB HIS 10 -6.022 7.826 -4.999 91 HB3 HIS 10 1HB HIS 10 -5.007 6.447 -5.387 92 HD1 HIS 10 1HD HIS 10 -7.703 5.570 -4.742 93 HD2 HIS 10 2HD HIS 10 -5.019 6.408 -1.656 94 HE1 HIS 10 1HE HIS 10 -8.549 4.339 -2.693 95 HE2 HIS 10 2HE HIS 10 -6.937 4.854 -0.796 96 H HIS 11 H HIS 11 -2.737 6.212 -5.309 97 HA HIS 11 HA HIS 11 -1.584 4.868 -2.939 98 HB2 HIS 11 2HB HIS 11 -1.686 3.781 -5.757 99 HB3 HIS 11 1HB HIS 11 -1.331 2.902 -4.270 100 HD1 HIS 11 1HD HIS 11 -3.292 2.065 -2.893 101 HD2 HIS 11 2HD HIS 11 -4.471 4.550 -6.028 102 HE1 HIS 11 1HE HIS 11 -5.821 1.962 -2.974 103 HE2 HIS 11 2HE HIS 11 -6.560 3.456 -4.899 104 H LEU 12 H LEU 12 -0.185 6.928 -3.061 105 HA LEU 12 HA LEU 12 1.707 7.416 -5.019 106 HB2 LEU 12 2HB LEU 12 3.185 8.165 -3.030 107 HB3 LEU 12 1HB LEU 12 1.659 8.999 -3.288 108 HG LEU 12 HG LEU 12 0.988 6.815 -1.671 109 HD11 LEU 12 1HD1 LEU 12 2.606 6.474 -0.096 110 HD12 LEU 12 2HD1 LEU 12 3.177 8.142 -0.169 111 HD13 LEU 12 3HD1 LEU 12 3.683 6.982 -1.398 112 HD21 LEU 12 3HD2 LEU 12 0.140 9.177 -1.617 113 HD22 LEU 12 1HD2 LEU 12 1.625 9.639 -0.784 114 HD23 LEU 12 2HD2 LEU 12 0.499 8.514 -0.024 115 H ALA 13 H ALA 13 2.005 5.327 -2.202 116 HA ALA 13 HA ALA 13 3.597 3.415 -3.661 117 HB1 ALA 13 1HB ALA 13 4.842 4.989 -1.404 118 HB2 ALA 13 2HB ALA 13 5.375 4.947 -3.082 119 HB3 ALA 13 3HB ALA 13 5.513 3.507 -2.074 120 H HIS 14 H HIS 14 3.480 1.456 -2.801 121 HA HIS 14 HA HIS 14 2.465 1.087 -0.073 122 HB2 HIS 14 2HB HIS 14 1.129 0.184 -2.612 123 HB3 HIS 14 1HB HIS 14 0.976 -0.790 -1.152 124 HD1 HIS 14 1HD HIS 14 -1.041 -0.209 0.177 125 HD2 HIS 14 2HD HIS 14 0.426 3.108 -1.894 126 HE1 HIS 14 1HE HIS 14 -2.607 1.720 0.694 127 HE2 HIS 14 2HE HIS 14 -1.700 3.757 -0.524 128 H LEU 15 H LEU 15 2.708 -1.238 -2.686 129 HA LEU 15 HA LEU 15 4.229 -3.067 -1.144 130 HB2 LEU 15 2HB LEU 15 3.838 -2.854 -4.146 131 HB3 LEU 15 1HB LEU 15 4.602 -4.220 -3.334 132 HG LEU 15 HG LEU 15 2.311 -4.055 -1.891 133 HD11 LEU 15 1HD1 LEU 15 0.436 -3.679 -3.483 134 HD12 LEU 15 2HD1 LEU 15 1.600 -3.150 -4.696 135 HD13 LEU 15 3HD1 LEU 15 1.384 -2.214 -3.220 136 HD21 LEU 15 3HD2 LEU 15 2.969 -6.131 -2.827 137 HD22 LEU 15 1HD2 LEU 15 2.915 -5.500 -4.471 138 HD23 LEU 15 2HD2 LEU 15 1.414 -5.789 -3.592 139 H ALA 16 H ALA 16 4.930 -0.419 -3.216 140 HA ALA 16 HA ALA 16 7.657 -0.937 -3.709 141 HB1 ALA 16 1HB ALA 16 6.103 1.649 -3.706 142 HB2 ALA 16 2HB ALA 16 6.448 0.628 -5.099 143 HB3 ALA 16 3HB ALA 16 7.758 1.483 -4.288 144 H LEU 17 H LEU 17 6.057 1.166 -1.365 145 HA LEU 17 HA LEU 17 7.984 2.454 -0.053 146 HB2 LEU 17 2HB LEU 17 6.038 2.747 1.093 147 HB3 LEU 17 1HB LEU 17 5.538 1.075 0.879 148 HG LEU 17 HG LEU 17 7.204 0.388 2.600 149 HD11 LEU 17 1HD1 LEU 17 7.465 3.132 3.646 150 HD12 LEU 17 2HD1 LEU 17 8.366 2.830 2.161 151 HD13 LEU 17 3HD1 LEU 17 8.657 1.836 3.585 152 HD21 LEU 17 3HD2 LEU 17 5.464 0.542 4.000 153 HD22 LEU 17 1HD2 LEU 17 4.736 1.768 2.964 154 HD23 LEU 17 2HD2 LEU 17 5.821 2.252 4.271 155 H HIS 18 H HIS 18 7.221 -0.906 0.518 156 HA HIS 18 HA HIS 18 9.419 -1.406 2.292 157 HB2 HIS 18 2HB HIS 18 8.117 -3.528 0.609 158 HB3 HIS 18 1HB HIS 18 8.794 -3.659 2.225 159 HD1 HIS 18 1HD HIS 18 7.196 -3.310 4.157 160 HD2 HIS 18 2HD HIS 18 5.689 -1.912 0.532 161 HE1 HIS 18 1HE HIS 18 4.817 -2.555 4.620 162 HE2 HIS 18 2HE HIS 18 3.871 -1.703 2.413 163 H LEU 19 H LEU 19 8.816 -2.405 -1.013 164 HA LEU 19 HA LEU 19 11.289 -3.532 -1.594 165 HB2 LEU 19 2HB LEU 19 9.577 -3.888 -3.166 166 HB3 LEU 19 1HB LEU 19 9.172 -2.174 -3.242 167 HG LEU 19 HG LEU 19 11.424 -1.770 -4.323 168 HD11 LEU 19 1HD1 LEU 19 12.381 -3.961 -5.355 169 HD12 LEU 19 2HD1 LEU 19 11.486 -4.778 -4.077 170 HD13 LEU 19 3HD1 LEU 19 12.743 -3.613 -3.665 171 HD21 LEU 19 3HD2 LEU 19 10.021 -1.806 -6.086 172 HD22 LEU 19 1HD2 LEU 19 9.098 -3.154 -5.422 173 HD23 LEU 19 2HD2 LEU 19 10.562 -3.463 -6.357 174 H ALA 20 H ALA 20 10.248 -0.260 -1.371 175 HA ALA 20 HA ALA 20 12.488 0.944 -2.682 176 HB1 ALA 20 1HB ALA 20 11.690 2.980 -1.238 177 HB2 ALA 20 2HB ALA 20 10.302 1.953 -0.885 178 HB3 ALA 20 3HB ALA 20 10.663 2.405 -2.549 179 H LEU 21 H LEU 21 11.558 0.434 0.673 180 HA LEU 21 HA LEU 21 13.881 1.445 1.881 181 HB2 LEU 21 2HB LEU 21 11.648 0.661 2.955 182 HB3 LEU 21 1HB LEU 21 12.383 -0.940 2.956 183 HG LEU 21 HG LEU 21 13.937 1.376 4.078 184 HD11 LEU 21 1HD1 LEU 21 12.857 1.279 6.174 185 HD12 LEU 21 2HD1 LEU 21 12.034 -0.229 5.780 186 HD13 LEU 21 3HD1 LEU 21 11.525 1.279 5.020 187 HD21 LEU 21 3HD2 LEU 21 14.558 -0.594 5.677 188 HD22 LEU 21 1HD2 LEU 21 15.203 -0.613 4.037 189 HD23 LEU 21 2HD2 LEU 21 13.815 -1.620 4.451 190 H ALA 22 H ALA 22 13.029 -1.734 0.673 191 HA ALA 22 HA ALA 22 15.383 -3.091 1.436 192 HB1 ALA 22 1HB ALA 22 14.268 -4.044 -1.077 193 HB2 ALA 22 2HB ALA 22 13.018 -3.775 0.136 194 HB3 ALA 22 3HB ALA 22 14.365 -4.856 0.484 195 H LEU 23 H LEU 23 14.553 -1.172 -1.358 196 HA LEU 23 HA LEU 23 17.006 -1.761 -2.777 197 HB2 LEU 23 2HB LEU 23 14.619 -0.018 -3.235 198 HB3 LEU 23 1HB LEU 23 16.097 0.309 -4.140 199 HG LEU 23 HG LEU 23 15.015 -2.498 -3.996 200 HD11 LEU 23 1HD1 LEU 23 13.497 -2.166 -5.736 201 HD12 LEU 23 2HD1 LEU 23 14.253 -0.654 -6.245 202 HD13 LEU 23 3HD1 LEU 23 13.267 -0.699 -4.783 203 HD21 LEU 23 3HD2 LEU 23 17.314 -1.826 -4.956 204 HD22 LEU 23 1HD2 LEU 23 16.409 -1.066 -6.268 205 HD23 LEU 23 2HD2 LEU 23 16.278 -2.802 -5.997 206 H LYS 24 H LYS 24 15.556 1.105 -1.359 207 HA LYS 24 HA LYS 24 17.602 2.921 -1.609 208 HB2 LYS 24 2HB LYS 24 15.226 3.173 -0.538 209 HB3 LYS 24 1HB LYS 24 16.068 2.819 0.970 210 HG2 LYS 24 2HG LYS 24 17.698 4.703 -0.335 211 HG3 LYS 24 1HG LYS 24 16.054 5.276 -0.596 212 HD2 LYS 24 2HD LYS 24 16.637 6.254 1.465 213 HD3 LYS 24 1HD LYS 24 15.715 4.833 1.938 214 HE2 LYS 24 2HE LYS 24 17.933 5.218 3.179 215 HE3 LYS 24 1HE LYS 24 17.671 3.610 2.519 216 HZ1 LYS 24 3HZ LYS 24 19.901 4.847 2.100 217 HZ2 LYS 24 1HZ LYS 24 19.032 5.627 0.873 218 HZ3 LYS 24 2HZ LYS 24 19.193 3.935 0.855 219 H LYS 25 H LYS 25 17.426 0.173 0.461 220 HA LYS 25 HA LYS 25 19.194 0.770 2.493 221 HB2 LYS 25 2HB LYS 25 18.140 -1.355 2.544 222 HB3 LYS 25 1HB LYS 25 18.725 -1.772 0.935 223 HG2 LYS 25 2HG LYS 25 20.796 -1.178 2.996 224 HG3 LYS 25 1HG LYS 25 19.904 -2.685 3.169 225 HD2 LYS 25 2HD LYS 25 20.703 -3.566 1.186 226 HD3 LYS 25 1HD LYS 25 20.949 -1.986 0.450 227 HE2 LYS 25 2HE LYS 25 22.643 -3.248 2.618 228 HE3 LYS 25 1HE LYS 25 23.111 -2.970 0.945 229 HZ1 LYS 25 3HZ LYS 25 23.524 -1.250 3.010 230 HZ2 LYS 25 1HZ LYS 25 22.166 -0.592 2.233 231 HZ3 LYS 25 2HZ LYS 25 23.592 -0.853 1.353 232 H ALA 26 H ALA 26 19.847 -0.002 -0.877 233 HA ALA 26 HA ALA 26 21.710 0.125 -2.190 234 HB1 ALA 26 1HB ALA 26 22.428 2.179 -0.096 235 HB2 ALA 26 2HB ALA 26 21.670 2.459 -1.662 236 HB3 ALA 26 3HB ALA 26 23.347 1.924 -1.577 Start of MODEL 18 1 H1 LYS 1 1HT LYS 1 10.023 9.309 -5.878 2 H2 LYS 1 2HT LYS 1 11.641 9.734 -6.178 3 H3 LYS 1 3HT LYS 1 10.997 9.879 -4.617 4 HA LYS 1 HA LYS 1 12.311 7.943 -4.592 5 HB2 LYS 1 2HB LYS 1 9.464 7.017 -5.075 6 HB3 LYS 1 1HB LYS 1 10.680 6.236 -4.072 7 HG2 LYS 1 2HG LYS 1 10.701 8.300 -2.616 8 HG3 LYS 1 1HG LYS 1 9.336 8.906 -3.553 9 HD2 LYS 1 2HD LYS 1 8.569 6.307 -2.884 10 HD3 LYS 1 1HD LYS 1 9.378 6.896 -1.432 11 HE2 LYS 1 2HE LYS 1 7.025 7.511 -1.297 12 HE3 LYS 1 1HE LYS 1 7.973 8.974 -1.563 13 HZ1 LYS 1 2HZ LYS 1 5.917 7.946 -3.141 14 HZ2 LYS 1 3HZ LYS 1 7.344 7.852 -4.048 15 HZ3 LYS 1 1HZ LYS 1 6.844 9.341 -3.414 16 H LYS 2 H LYS 2 13.083 6.066 -5.632 17 HA LYS 2 HA LYS 2 13.141 6.180 -8.477 18 HB2 LYS 2 2HB LYS 2 14.327 3.975 -8.279 19 HB3 LYS 2 1HB LYS 2 15.040 5.252 -7.293 20 HG2 LYS 2 2HG LYS 2 14.255 4.335 -5.295 21 HG3 LYS 2 1HG LYS 2 12.932 3.483 -6.084 22 HD2 LYS 2 2HD LYS 2 15.573 2.613 -7.031 23 HD3 LYS 2 1HD LYS 2 15.339 2.346 -5.304 24 HE2 LYS 2 2HE LYS 2 14.574 0.396 -6.624 25 HE3 LYS 2 1HE LYS 2 13.236 1.146 -5.755 26 HZ1 LYS 2 3HZ LYS 2 12.686 0.632 -8.068 27 HZ2 LYS 2 1HZ LYS 2 13.921 1.662 -8.598 28 HZ3 LYS 2 2HZ LYS 2 12.587 2.301 -7.760 29 H ALA 3 H ALA 3 10.537 6.205 -8.066 30 HA ALA 3 HA ALA 3 9.669 3.555 -9.007 31 HB1 ALA 3 1HB ALA 3 8.006 3.291 -7.425 32 HB2 ALA 3 2HB ALA 3 7.892 5.022 -7.097 33 HB3 ALA 3 3HB ALA 3 9.238 4.086 -6.444 34 H LEU 4 H LEU 4 10.150 6.303 -10.175 35 HA LEU 4 HA LEU 4 7.777 7.638 -10.768 36 HB2 LEU 4 2HB LEU 4 10.282 8.126 -11.449 37 HB3 LEU 4 1HB LEU 4 9.828 7.249 -12.915 38 HG LEU 4 HG LEU 4 8.359 9.651 -11.787 39 HD11 LEU 4 1HD1 LEU 4 10.558 10.236 -12.713 40 HD12 LEU 4 2HD1 LEU 4 9.262 10.823 -13.755 41 HD13 LEU 4 3HD1 LEU 4 10.166 9.375 -14.199 42 HD21 LEU 4 3HD2 LEU 4 7.883 7.802 -14.111 43 HD22 LEU 4 1HD2 LEU 4 7.426 9.501 -14.254 44 HD23 LEU 4 2HD2 LEU 4 6.718 8.502 -12.989 45 H LEU 5 H LEU 5 9.419 5.209 -12.710 46 HA LEU 5 HA LEU 5 7.573 4.717 -14.682 47 HB2 LEU 5 2HB LEU 5 8.583 2.184 -13.656 48 HB3 LEU 5 1HB LEU 5 8.923 2.972 -15.193 49 HG LEU 5 HG LEU 5 10.499 4.523 -13.849 50 HD11 LEU 5 1HD1 LEU 5 11.205 3.852 -11.700 51 HD12 LEU 5 2HD1 LEU 5 10.538 2.230 -11.882 52 HD13 LEU 5 3HD1 LEU 5 9.463 3.603 -11.637 53 HD21 LEU 5 3HD2 LEU 5 11.157 1.567 -14.038 54 HD22 LEU 5 1HD2 LEU 5 12.323 2.889 -13.974 55 HD23 LEU 5 2HD2 LEU 5 11.257 2.719 -15.370 56 H ALA 6 H ALA 6 7.650 3.447 -11.421 57 HA ALA 6 HA ALA 6 5.294 1.855 -11.671 58 HB1 ALA 6 1HB ALA 6 5.407 2.092 -9.047 59 HB2 ALA 6 2HB ALA 6 7.007 2.750 -9.384 60 HB3 ALA 6 3HB ALA 6 6.603 1.114 -9.899 61 H LEU 7 H LEU 7 6.003 5.025 -10.291 62 HA LEU 7 HA LEU 7 3.443 5.668 -9.376 63 HB2 LEU 7 2HB LEU 7 4.539 7.531 -8.759 64 HB3 LEU 7 1HB LEU 7 5.926 6.996 -9.691 65 HG LEU 7 HG LEU 7 4.849 8.078 -11.726 66 HD11 LEU 7 1HD1 LEU 7 2.728 8.434 -9.797 67 HD12 LEU 7 2HD1 LEU 7 2.715 8.760 -11.530 68 HD13 LEU 7 3HD1 LEU 7 3.261 10.002 -10.401 69 HD21 LEU 7 3HD2 LEU 7 6.557 9.108 -9.981 70 HD22 LEU 7 1HD2 LEU 7 5.198 10.166 -9.602 71 HD23 LEU 7 2HD2 LEU 7 5.851 10.120 -11.243 72 H ALA 8 H ALA 8 4.926 6.130 -12.508 73 HA ALA 8 HA ALA 8 2.841 7.437 -13.841 74 HB1 ALA 8 1HB ALA 8 3.809 6.387 -15.913 75 HB2 ALA 8 2HB ALA 8 4.874 5.447 -14.868 76 HB3 ALA 8 3HB ALA 8 5.002 7.205 -14.902 77 H LEU 9 H LEU 9 3.633 4.004 -13.870 78 HA LEU 9 HA LEU 9 1.302 3.055 -15.105 79 HB2 LEU 9 2HB LEU 9 3.539 1.840 -14.377 80 HB3 LEU 9 1HB LEU 9 2.613 1.464 -12.928 81 HG LEU 9 HG LEU 9 2.016 0.674 -15.787 82 HD11 LEU 9 1HD1 LEU 9 2.283 -0.851 -13.180 83 HD12 LEU 9 2HD1 LEU 9 3.446 -0.834 -14.501 84 HD13 LEU 9 3HD1 LEU 9 1.866 -1.575 -14.733 85 HD21 LEU 9 3HD2 LEU 9 0.162 0.710 -13.387 86 HD22 LEU 9 1HD2 LEU 9 -0.117 -0.319 -14.791 87 HD23 LEU 9 2HD2 LEU 9 -0.115 1.434 -14.974 88 H HIS 10 H HIS 10 2.129 3.100 -11.687 89 HA HIS 10 HA HIS 10 -0.267 4.171 -10.727 90 HB2 HIS 10 2HB HIS 10 -1.184 1.958 -11.559 91 HB3 HIS 10 1HB HIS 10 -0.157 1.166 -10.365 92 HD1 HIS 10 1HD HIS 10 -2.377 0.357 -9.148 93 HD2 HIS 10 2HD HIS 10 -1.789 4.490 -9.182 94 HE1 HIS 10 1HE HIS 10 -3.964 1.333 -7.426 95 HE2 HIS 10 2HE HIS 10 -3.608 3.848 -7.427 96 H HIS 11 H HIS 11 0.660 5.168 -9.074 97 HA HIS 11 HA HIS 11 2.992 4.285 -7.751 98 HB2 HIS 11 2HB HIS 11 1.997 6.031 -5.959 99 HB3 HIS 11 1HB HIS 11 2.780 6.547 -7.453 100 HD1 HIS 11 1HD HIS 11 -0.573 6.285 -5.800 101 HD2 HIS 11 2HD HIS 11 1.005 7.470 -9.485 102 HE1 HIS 11 1HE HIS 11 -2.434 7.515 -7.014 103 HE2 HIS 11 2HE HIS 11 -1.491 8.241 -9.269 104 H LEU 12 H LEU 12 2.119 2.020 -7.422 105 HA LEU 12 HA LEU 12 0.147 1.277 -5.635 106 HB2 LEU 12 2HB LEU 12 2.745 0.124 -6.494 107 HB3 LEU 12 1HB LEU 12 2.064 -0.523 -5.005 108 HG LEU 12 HG LEU 12 1.302 -1.838 -6.914 109 HD11 LEU 12 1HD1 LEU 12 -1.181 -0.335 -6.359 110 HD12 LEU 12 2HD1 LEU 12 -0.289 -0.855 -4.928 111 HD13 LEU 12 3HD1 LEU 12 -0.820 -2.044 -6.117 112 HD21 LEU 12 3HD2 LEU 12 -0.002 -0.844 -8.708 113 HD22 LEU 12 1HD2 LEU 12 1.528 0.016 -8.585 114 HD23 LEU 12 2HD2 LEU 12 0.056 0.733 -7.929 115 H ALA 13 H ALA 13 3.380 2.407 -5.048 116 HA ALA 13 HA ALA 13 4.459 3.205 -3.191 117 HB1 ALA 13 1HB ALA 13 1.587 3.782 -2.595 118 HB2 ALA 13 2HB ALA 13 2.923 4.904 -2.866 119 HB3 ALA 13 3HB ALA 13 2.795 4.039 -1.334 120 H HIS 14 H HIS 14 1.639 1.741 -1.675 121 HA HIS 14 HA HIS 14 2.812 0.653 0.548 122 HB2 HIS 14 2HB HIS 14 0.556 -0.439 -1.136 123 HB3 HIS 14 1HB HIS 14 0.985 -1.073 0.449 124 HD1 HIS 14 1HD HIS 14 0.529 0.434 2.516 125 HD2 HIS 14 2HD HIS 14 -0.674 2.137 -1.100 126 HE1 HIS 14 1HE HIS 14 -0.918 2.427 3.107 127 HE2 HIS 14 2HE HIS 14 -1.652 3.492 0.917 128 H LEU 15 H LEU 15 2.529 -0.819 -2.619 129 HA LEU 15 HA LEU 15 3.949 -3.218 -1.831 130 HB2 LEU 15 2HB LEU 15 2.807 -2.160 -4.396 131 HB3 LEU 15 1HB LEU 15 3.871 -3.562 -4.397 132 HG LEU 15 HG LEU 15 1.310 -3.302 -2.786 133 HD11 LEU 15 1HD1 LEU 15 0.947 -3.550 -5.232 134 HD12 LEU 15 2HD1 LEU 15 0.419 -4.977 -4.339 135 HD13 LEU 15 3HD1 LEU 15 1.949 -5.004 -5.213 136 HD21 LEU 15 3HD2 LEU 15 2.426 -4.856 -1.520 137 HD22 LEU 15 1HD2 LEU 15 3.552 -5.257 -2.819 138 HD23 LEU 15 2HD2 LEU 15 1.932 -5.950 -2.809 139 H ALA 16 H ALA 16 4.903 -0.142 -2.552 140 HA ALA 16 HA ALA 16 7.469 -1.046 -3.691 141 HB1 ALA 16 1HB ALA 16 7.199 0.564 -5.217 142 HB2 ALA 16 2HB ALA 16 7.264 1.762 -3.927 143 HB3 ALA 16 3HB ALA 16 5.714 1.095 -4.429 144 H LEU 17 H LEU 17 6.058 1.229 -1.410 145 HA LEU 17 HA LEU 17 8.118 2.527 -0.300 146 HB2 LEU 17 2HB LEU 17 6.488 3.082 1.122 147 HB3 LEU 17 1HB LEU 17 5.525 1.716 0.579 148 HG LEU 17 HG LEU 17 7.729 1.213 2.559 149 HD11 LEU 17 1HD1 LEU 17 5.024 2.408 3.204 150 HD12 LEU 17 2HD1 LEU 17 6.597 3.145 3.507 151 HD13 LEU 17 3HD1 LEU 17 6.116 1.699 4.394 152 HD21 LEU 17 3HD2 LEU 17 5.091 0.011 2.965 153 HD22 LEU 17 1HD2 LEU 17 6.656 -0.777 2.765 154 HD23 LEU 17 2HD2 LEU 17 5.716 -0.311 1.348 155 H HIS 18 H HIS 18 7.290 -0.794 0.368 156 HA HIS 18 HA HIS 18 9.447 -1.227 2.199 157 HB2 HIS 18 2HB HIS 18 8.786 -3.521 2.198 158 HB3 HIS 18 1HB HIS 18 7.328 -2.555 2.092 159 HD1 HIS 18 1HD HIS 18 8.872 -5.374 0.543 160 HD2 HIS 18 2HD HIS 18 6.501 -2.213 -0.795 161 HE1 HIS 18 1HE HIS 18 7.945 -6.080 -1.711 162 HE2 HIS 18 2HE HIS 18 6.502 -4.154 -2.552 163 H LEU 19 H LEU 19 8.870 -2.268 -1.113 164 HA LEU 19 HA LEU 19 11.373 -3.437 -1.599 165 HB2 LEU 19 2HB LEU 19 9.098 -3.074 -3.082 166 HB3 LEU 19 1HB LEU 19 10.210 -1.957 -3.873 167 HG LEU 19 HG LEU 19 10.351 -4.178 -4.913 168 HD11 LEU 19 1HD1 LEU 19 12.730 -4.437 -4.847 169 HD12 LEU 19 2HD1 LEU 19 12.831 -3.734 -3.236 170 HD13 LEU 19 3HD1 LEU 19 12.412 -2.718 -4.618 171 HD21 LEU 19 3HD2 LEU 19 10.718 -6.149 -3.736 172 HD22 LEU 19 1HD2 LEU 19 9.768 -5.253 -2.553 173 HD23 LEU 19 2HD2 LEU 19 11.523 -5.326 -2.396 174 H ALA 20 H ALA 20 10.281 -0.174 -1.505 175 HA ALA 20 HA ALA 20 12.482 1.080 -2.802 176 HB1 ALA 20 1HB ALA 20 10.322 1.987 -0.948 177 HB2 ALA 20 2HB ALA 20 10.712 2.556 -2.571 178 HB3 ALA 20 3HB ALA 20 11.711 3.043 -1.199 179 H LEU 21 H LEU 21 11.695 0.900 0.646 180 HA LEU 21 HA LEU 21 14.185 1.751 1.598 181 HB2 LEU 21 2HB LEU 21 11.802 0.873 2.756 182 HB3 LEU 21 1HB LEU 21 13.004 -0.293 3.306 183 HG LEU 21 HG LEU 21 12.968 1.513 4.901 184 HD11 LEU 21 1HD1 LEU 21 15.221 0.613 3.868 185 HD12 LEU 21 2HD1 LEU 21 15.241 1.989 4.966 186 HD13 LEU 21 3HD1 LEU 21 15.345 2.251 3.228 187 HD21 LEU 21 3HD2 LEU 21 11.977 3.341 3.838 188 HD22 LEU 21 1HD2 LEU 21 12.999 3.199 2.412 189 HD23 LEU 21 2HD2 LEU 21 13.661 3.855 3.910 190 H ALA 22 H ALA 22 13.018 -1.376 0.631 191 HA ALA 22 HA ALA 22 15.114 -3.003 1.522 192 HB1 ALA 22 1HB ALA 22 13.592 -3.367 -1.059 193 HB2 ALA 22 2HB ALA 22 12.944 -3.795 0.524 194 HB3 ALA 22 3HB ALA 22 14.376 -4.617 -0.096 195 H LEU 23 H LEU 23 14.686 -1.286 -1.521 196 HA LEU 23 HA LEU 23 17.277 -2.038 -2.540 197 HB2 LEU 23 2HB LEU 23 14.939 -0.513 -3.492 198 HB3 LEU 23 1HB LEU 23 16.489 0.099 -4.069 199 HG LEU 23 HG LEU 23 15.383 -1.696 -5.519 200 HD11 LEU 23 1HD1 LEU 23 18.185 -1.859 -4.413 201 HD12 LEU 23 2HD1 LEU 23 17.646 -1.263 -5.981 202 HD13 LEU 23 3HD1 LEU 23 17.636 -2.992 -5.648 203 HD21 LEU 23 3HD2 LEU 23 15.219 -3.884 -4.768 204 HD22 LEU 23 1HD2 LEU 23 14.927 -3.037 -3.250 205 HD23 LEU 23 2HD2 LEU 23 16.525 -3.700 -3.600 206 H LYS 24 H LYS 24 15.824 0.753 -1.034 207 HA LYS 24 HA LYS 24 17.984 2.547 -1.334 208 HB2 LYS 24 2HB LYS 24 16.019 3.625 -0.744 209 HB3 LYS 24 1HB LYS 24 15.587 2.403 0.442 210 HG2 LYS 24 2HG LYS 24 16.220 4.426 1.625 211 HG3 LYS 24 1HG LYS 24 17.468 3.213 1.891 212 HD2 LYS 24 2HD LYS 24 18.322 4.482 -0.429 213 HD3 LYS 24 1HD LYS 24 17.650 5.803 0.525 214 HE2 LYS 24 2HE LYS 24 19.896 3.921 1.249 215 HE3 LYS 24 1HE LYS 24 19.902 5.680 1.230 216 HZ1 LYS 24 3HZ LYS 24 18.608 3.867 3.177 217 HZ2 LYS 24 1HZ LYS 24 18.159 5.504 3.043 218 HZ3 LYS 24 2HZ LYS 24 19.756 5.090 3.466 219 H LYS 25 H LYS 25 17.029 0.642 1.496 220 HA LYS 25 HA LYS 25 18.253 -0.234 3.241 221 HB2 LYS 25 2HB LYS 25 20.706 0.278 1.537 222 HB3 LYS 25 1HB LYS 25 20.556 -0.850 2.885 223 HG2 LYS 25 2HG LYS 25 18.675 -1.960 1.524 224 HG3 LYS 25 1HG LYS 25 19.280 -1.024 0.155 225 HD2 LYS 25 2HD LYS 25 21.111 -2.752 1.832 226 HD3 LYS 25 1HD LYS 25 20.233 -3.404 0.448 227 HE2 LYS 25 2HE LYS 25 21.825 -2.582 -0.926 228 HE3 LYS 25 1HE LYS 25 21.417 -0.948 -0.399 229 HZ1 LYS 25 3HZ LYS 25 23.782 -1.636 -0.046 230 HZ2 LYS 25 1HZ LYS 25 23.231 -2.736 1.120 231 HZ3 LYS 25 2HZ LYS 25 22.985 -1.071 1.343 232 H ALA 26 H ALA 26 21.133 0.740 3.656 233 HA ALA 26 HA ALA 26 20.519 2.794 5.514 234 HB1 ALA 26 1HB ALA 26 22.476 1.205 5.659 235 HB2 ALA 26 2HB ALA 26 22.873 2.901 5.951 236 HB3 ALA 26 3HB ALA 26 23.252 2.157 4.397 Start of MODEL 19 1 H1 LYS 1 1HT LYS 1 8.597 10.314 0.961 2 H2 LYS 1 2HT LYS 1 9.558 8.971 1.352 3 H3 LYS 1 3HT LYS 1 8.753 9.034 -0.139 4 HA LYS 1 HA LYS 1 10.447 11.298 0.272 5 HB2 LYS 1 2HB LYS 1 11.636 8.505 0.230 6 HB3 LYS 1 1HB LYS 1 12.554 9.977 -0.089 7 HG2 LYS 1 2HG LYS 1 10.931 9.922 2.416 8 HG3 LYS 1 1HG LYS 1 12.367 8.903 2.374 9 HD2 LYS 1 2HD LYS 1 13.751 10.830 1.758 10 HD3 LYS 1 1HD LYS 1 12.329 11.871 1.736 11 HE2 LYS 1 2HE LYS 1 13.370 10.367 4.160 12 HE3 LYS 1 1HE LYS 1 13.559 12.096 3.866 13 HZ1 LYS 1 2HZ LYS 1 10.995 10.631 4.209 14 HZ2 LYS 1 3HZ LYS 1 11.123 12.276 3.799 15 HZ3 LYS 1 1HZ LYS 1 11.691 11.729 5.300 16 H LYS 2 H LYS 2 8.782 11.483 -1.511 17 HA LYS 2 HA LYS 2 8.028 11.032 -3.701 18 HB2 LYS 2 2HB LYS 2 9.757 12.081 -5.252 19 HB3 LYS 2 1HB LYS 2 9.165 13.077 -3.925 20 HG2 LYS 2 2HG LYS 2 11.174 12.986 -2.775 21 HG3 LYS 2 1HG LYS 2 11.608 11.413 -3.440 22 HD2 LYS 2 2HD LYS 2 11.433 13.224 -5.634 23 HD3 LYS 2 1HD LYS 2 12.373 14.023 -4.374 24 HE2 LYS 2 2HE LYS 2 12.934 11.166 -5.182 25 HE3 LYS 2 1HE LYS 2 13.664 12.525 -6.039 26 HZ1 LYS 2 3HZ LYS 2 15.057 12.902 -4.386 27 HZ2 LYS 2 1HZ LYS 2 14.615 11.388 -3.758 28 HZ3 LYS 2 2HZ LYS 2 13.847 12.804 -3.202 29 H ALA 3 H ALA 3 8.338 8.571 -3.185 30 HA ALA 3 HA ALA 3 10.508 7.280 -4.583 31 HB1 ALA 3 1HB ALA 3 9.404 6.267 -2.596 32 HB2 ALA 3 2HB ALA 3 9.369 5.207 -4.006 33 HB3 ALA 3 3HB ALA 3 7.922 6.102 -3.537 34 H LEU 4 H LEU 4 9.932 8.654 -6.563 35 HA LEU 4 HA LEU 4 7.695 8.341 -8.138 36 HB2 LEU 4 2HB LEU 4 10.546 8.367 -9.159 37 HB3 LEU 4 1HB LEU 4 9.108 8.753 -10.094 38 HG LEU 4 HG LEU 4 9.666 10.895 -9.517 39 HD11 LEU 4 1HD1 LEU 4 8.501 10.135 -6.829 40 HD12 LEU 4 2HD1 LEU 4 7.527 10.337 -8.284 41 HD13 LEU 4 3HD1 LEU 4 8.430 11.700 -7.631 42 HD21 LEU 4 3HD2 LEU 4 11.216 9.535 -7.367 43 HD22 LEU 4 1HD2 LEU 4 10.768 11.219 -7.091 44 HD23 LEU 4 2HD2 LEU 4 11.720 10.778 -8.508 45 H LEU 5 H LEU 5 10.538 6.290 -8.029 46 HA LEU 5 HA LEU 5 9.910 4.403 -9.940 47 HB2 LEU 5 2HB LEU 5 12.049 4.353 -8.790 48 HB3 LEU 5 1HB LEU 5 11.256 3.992 -7.259 49 HG LEU 5 HG LEU 5 10.475 1.842 -8.127 50 HD11 LEU 5 1HD1 LEU 5 10.089 2.280 -10.434 51 HD12 LEU 5 2HD1 LEU 5 11.417 1.120 -10.399 52 HD13 LEU 5 3HD1 LEU 5 11.750 2.828 -10.686 53 HD21 LEU 5 3HD2 LEU 5 12.922 2.267 -7.261 54 HD22 LEU 5 1HD2 LEU 5 13.370 1.960 -8.941 55 HD23 LEU 5 2HD2 LEU 5 12.526 0.721 -8.014 56 H ALA 6 H ALA 6 9.045 4.383 -6.528 57 HA ALA 6 HA ALA 6 7.504 2.048 -6.490 58 HB1 ALA 6 1HB ALA 6 6.925 4.550 -4.887 59 HB2 ALA 6 2HB ALA 6 8.206 3.408 -4.479 60 HB3 ALA 6 3HB ALA 6 6.523 2.889 -4.456 61 H LEU 7 H LEU 7 6.620 5.382 -7.146 62 HA LEU 7 HA LEU 7 3.855 4.989 -7.597 63 HB2 LEU 7 2HB LEU 7 5.833 7.093 -8.035 64 HB3 LEU 7 1HB LEU 7 4.619 7.036 -9.311 65 HG LEU 7 HG LEU 7 4.006 7.147 -6.342 66 HD11 LEU 7 1HD1 LEU 7 3.486 9.313 -8.362 67 HD12 LEU 7 2HD1 LEU 7 5.059 9.196 -7.570 68 HD13 LEU 7 3HD1 LEU 7 3.602 9.436 -6.608 69 HD21 LEU 7 3HD2 LEU 7 1.900 6.605 -6.949 70 HD22 LEU 7 1HD2 LEU 7 2.436 6.391 -8.616 71 HD23 LEU 7 2HD2 LEU 7 1.867 7.969 -8.068 72 H ALA 8 H ALA 8 6.455 5.476 -9.894 73 HA ALA 8 HA ALA 8 5.230 4.914 -12.279 74 HB1 ALA 8 1HB ALA 8 7.934 4.931 -11.288 75 HB2 ALA 8 2HB ALA 8 7.363 5.225 -12.927 76 HB3 ALA 8 3HB ALA 8 7.716 3.583 -12.399 77 H LEU 9 H LEU 9 6.857 2.635 -10.169 78 HA LEU 9 HA LEU 9 6.302 0.250 -11.494 79 HB2 LEU 9 2HB LEU 9 6.944 1.018 -8.710 80 HB3 LEU 9 1HB LEU 9 6.136 -0.539 -8.894 81 HG LEU 9 HG LEU 9 8.535 0.239 -10.561 82 HD11 LEU 9 1HD1 LEU 9 8.650 -1.520 -8.117 83 HD12 LEU 9 2HD1 LEU 9 8.911 0.220 -8.000 84 HD13 LEU 9 3HD1 LEU 9 9.977 -0.771 -8.995 85 HD21 LEU 9 3HD2 LEU 9 7.509 -1.600 -11.566 86 HD22 LEU 9 1HD2 LEU 9 6.928 -2.245 -10.028 87 HD23 LEU 9 2HD2 LEU 9 8.631 -2.395 -10.463 88 H HIS 10 H HIS 10 4.583 1.347 -8.627 89 HA HIS 10 HA HIS 10 2.004 0.780 -9.862 90 HB2 HIS 10 2HB HIS 10 2.921 -1.354 -8.732 91 HB3 HIS 10 1HB HIS 10 2.626 -0.508 -7.214 92 HD1 HIS 10 1HD HIS 10 0.850 -2.731 -7.192 93 HD2 HIS 10 2HD HIS 10 -0.128 0.580 -9.546 94 HE1 HIS 10 1HE HIS 10 -1.647 -2.867 -7.638 95 HE2 HIS 10 2HE HIS 10 -2.255 -0.862 -9.087 96 H HIS 11 H HIS 11 0.851 2.521 -9.443 97 HA HIS 11 HA HIS 11 1.391 4.616 -7.801 98 HB2 HIS 11 2HB HIS 11 -1.464 3.731 -8.068 99 HB3 HIS 11 1HB HIS 11 -0.793 5.358 -8.137 100 HD1 HIS 11 1HD HIS 11 -2.499 3.589 -10.378 101 HD2 HIS 11 2HD HIS 11 1.506 4.778 -10.488 102 HE1 HIS 11 1HE HIS 11 -1.788 3.528 -12.812 103 HE2 HIS 11 2HE HIS 11 0.642 4.264 -12.900 104 H LEU 12 H LEU 12 0.286 1.502 -6.828 105 HA LEU 12 HA LEU 12 -0.918 2.029 -4.371 106 HB2 LEU 12 2HB LEU 12 -0.340 -0.244 -5.674 107 HB3 LEU 12 1HB LEU 12 0.993 -0.254 -4.520 108 HG LEU 12 HG LEU 12 -1.794 0.305 -3.541 109 HD11 LEU 12 1HD1 LEU 12 -0.673 -2.317 -4.473 110 HD12 LEU 12 2HD1 LEU 12 -2.319 -1.700 -4.602 111 HD13 LEU 12 3HD1 LEU 12 -1.719 -2.292 -3.055 112 HD21 LEU 12 3HD2 LEU 12 -0.771 -0.993 -1.574 113 HD22 LEU 12 1HD2 LEU 12 -0.086 0.599 -1.909 114 HD23 LEU 12 2HD2 LEU 12 0.767 -0.855 -2.429 115 H ALA 13 H ALA 13 2.424 1.860 -5.327 116 HA ALA 13 HA ALA 13 4.381 2.533 -4.378 117 HB1 ALA 13 1HB ALA 13 2.966 4.342 -2.488 118 HB2 ALA 13 2HB ALA 13 2.760 4.623 -4.213 119 HB3 ALA 13 3HB ALA 13 4.372 4.655 -3.504 120 H HIS 14 H HIS 14 2.015 2.402 -1.746 121 HA HIS 14 HA HIS 14 3.707 1.925 0.354 122 HB2 HIS 14 2HB HIS 14 0.887 1.519 -0.162 123 HB3 HIS 14 1HB HIS 14 1.533 0.290 0.926 124 HD1 HIS 14 1HD HIS 14 1.620 0.992 3.324 125 HD2 HIS 14 2HD HIS 14 1.887 4.272 0.753 126 HE1 HIS 14 1HE HIS 14 1.785 3.052 4.794 127 HE2 HIS 14 2HE HIS 14 1.953 5.061 3.242 128 H LEU 15 H LEU 15 2.590 -0.403 -2.014 129 HA LEU 15 HA LEU 15 3.810 -2.634 -0.617 130 HB2 LEU 15 2HB LEU 15 2.431 -2.307 -3.270 131 HB3 LEU 15 1HB LEU 15 3.359 -3.767 -2.926 132 HG LEU 15 HG LEU 15 1.123 -2.703 -1.165 133 HD11 LEU 15 1HD1 LEU 15 -0.337 -4.181 -2.192 134 HD12 LEU 15 2HD1 LEU 15 0.955 -5.237 -2.749 135 HD13 LEU 15 3HD1 LEU 15 0.652 -3.710 -3.572 136 HD21 LEU 15 3HD2 LEU 15 2.495 -4.005 0.234 137 HD22 LEU 15 1HD2 LEU 15 2.966 -5.082 -1.077 138 HD23 LEU 15 2HD2 LEU 15 1.353 -5.202 -0.377 139 H ALA 16 H ALA 16 4.749 -0.238 -2.875 140 HA ALA 16 HA ALA 16 7.120 -1.717 -3.714 141 HB1 ALA 16 1HB ALA 16 6.339 -0.393 -5.483 142 HB2 ALA 16 2HB ALA 16 7.613 0.615 -4.792 143 HB3 ALA 16 3HB ALA 16 5.921 0.949 -4.419 144 H LEU 17 H LEU 17 6.096 0.803 -1.559 145 HA LEU 17 HA LEU 17 8.324 2.136 -0.787 146 HB2 LEU 17 2HB LEU 17 6.964 2.839 0.851 147 HB3 LEU 17 1HB LEU 17 5.793 1.645 0.315 148 HG LEU 17 HG LEU 17 7.004 -0.030 1.829 149 HD11 LEU 17 1HD1 LEU 17 7.947 1.964 3.673 150 HD12 LEU 17 2HD1 LEU 17 8.759 2.196 2.124 151 HD13 LEU 17 3HD1 LEU 17 8.844 0.636 2.941 152 HD21 LEU 17 3HD2 LEU 17 4.932 0.655 2.631 153 HD22 LEU 17 1HD2 LEU 17 5.411 2.346 2.733 154 HD23 LEU 17 2HD2 LEU 17 5.994 1.191 3.929 155 H HIS 18 H HIS 18 7.412 -1.093 0.190 156 HA HIS 18 HA HIS 18 9.645 -1.591 1.877 157 HB2 HIS 18 2HB HIS 18 8.286 -3.729 0.251 158 HB3 HIS 18 1HB HIS 18 9.020 -3.853 1.843 159 HD1 HIS 18 1HD HIS 18 7.583 -3.174 3.875 160 HD2 HIS 18 2HD HIS 18 5.760 -2.421 0.201 161 HE1 HIS 18 1HE HIS 18 5.177 -2.537 4.387 162 HE2 HIS 18 2HE HIS 18 4.055 -2.043 2.150 163 H LEU 19 H LEU 19 8.928 -2.657 -1.394 164 HA LEU 19 HA LEU 19 11.398 -3.774 -2.035 165 HB2 LEU 19 2HB LEU 19 9.773 -4.158 -3.648 166 HB3 LEU 19 1HB LEU 19 9.181 -2.499 -3.595 167 HG LEU 19 HG LEU 19 11.977 -2.979 -4.584 168 HD11 LEU 19 1HD1 LEU 19 11.282 -3.629 -6.754 169 HD12 LEU 19 2HD1 LEU 19 9.595 -3.231 -6.424 170 HD13 LEU 19 3HD1 LEU 19 10.330 -4.647 -5.674 171 HD21 LEU 19 3HD2 LEU 19 10.700 -1.197 -6.250 172 HD22 LEU 19 1HD2 LEU 19 11.627 -0.737 -4.824 173 HD23 LEU 19 2HD2 LEU 19 9.876 -0.907 -4.720 174 H ALA 20 H ALA 20 10.311 -0.493 -1.890 175 HA ALA 20 HA ALA 20 12.654 0.672 -3.102 176 HB1 ALA 20 1HB ALA 20 10.186 1.649 -2.699 177 HB2 ALA 20 2HB ALA 20 11.597 2.699 -2.841 178 HB3 ALA 20 3HB ALA 20 10.966 2.277 -1.247 179 H LEU 21 H LEU 21 11.390 0.375 0.171 180 HA LEU 21 HA LEU 21 13.528 1.526 1.548 181 HB2 LEU 21 2HB LEU 21 11.253 0.734 2.464 182 HB3 LEU 21 1HB LEU 21 12.002 -0.857 2.589 183 HG LEU 21 HG LEU 21 13.585 1.402 3.704 184 HD11 LEU 21 1HD1 LEU 21 11.092 1.775 4.326 185 HD12 LEU 21 2HD1 LEU 21 12.271 1.731 5.638 186 HD13 LEU 21 3HD1 LEU 21 11.267 0.317 5.307 187 HD21 LEU 21 3HD2 LEU 21 12.814 -1.294 4.867 188 HD22 LEU 21 1HD2 LEU 21 14.152 -0.259 5.366 189 HD23 LEU 21 2HD2 LEU 21 14.196 -1.060 3.795 190 H ALA 22 H ALA 22 12.995 -1.755 0.412 191 HA ALA 22 HA ALA 22 15.228 -3.002 1.529 192 HB1 ALA 22 1HB ALA 22 13.705 -4.436 0.438 193 HB2 ALA 22 2HB ALA 22 15.117 -4.447 -0.620 194 HB3 ALA 22 3HB ALA 22 13.715 -3.463 -1.032 195 H LEU 23 H LEU 23 14.896 -1.253 -1.513 196 HA LEU 23 HA LEU 23 17.666 -1.500 -2.224 197 HB2 LEU 23 2HB LEU 23 15.502 0.354 -3.240 198 HB3 LEU 23 1HB LEU 23 17.108 0.208 -3.953 199 HG LEU 23 HG LEU 23 15.313 -2.196 -3.572 200 HD11 LEU 23 1HD1 LEU 23 15.483 -0.278 -5.911 201 HD12 LEU 23 2HD1 LEU 23 14.054 -0.664 -4.951 202 HD13 LEU 23 3HD1 LEU 23 14.763 -1.883 -6.012 203 HD21 LEU 23 3HD2 LEU 23 17.286 -3.152 -4.201 204 HD22 LEU 23 1HD2 LEU 23 17.960 -1.619 -4.748 205 HD23 LEU 23 2HD2 LEU 23 16.902 -2.545 -5.807 206 H LYS 24 H LYS 24 15.647 1.145 -1.074 207 HA LYS 24 HA LYS 24 17.649 3.091 -0.794 208 HB2 LYS 24 2HB LYS 24 15.397 3.816 -0.708 209 HB3 LYS 24 1HB LYS 24 14.997 2.686 0.578 210 HG2 LYS 24 2HG LYS 24 17.135 4.703 1.125 211 HG3 LYS 24 1HG LYS 24 15.469 5.272 1.074 212 HD2 LYS 24 2HD LYS 24 14.838 4.082 2.937 213 HD3 LYS 24 1HD LYS 24 15.984 2.781 2.632 214 HE2 LYS 24 2HE LYS 24 16.424 5.418 3.993 215 HE3 LYS 24 1HE LYS 24 16.938 3.809 4.492 216 HZ1 LYS 24 3HZ LYS 24 18.173 5.645 2.576 217 HZ2 LYS 24 1HZ LYS 24 18.338 3.976 2.298 218 HZ3 LYS 24 2HZ LYS 24 18.894 4.655 3.750 219 H LYS 25 H LYS 25 16.649 0.513 1.334 220 HA LYS 25 HA LYS 25 18.814 1.255 3.216 221 HB2 LYS 25 2HB LYS 25 16.451 1.448 4.110 222 HB3 LYS 25 1HB LYS 25 16.296 -0.292 3.883 223 HG2 LYS 25 2HG LYS 25 18.533 -0.387 5.269 224 HG3 LYS 25 1HG LYS 25 18.040 1.219 5.808 225 HD2 LYS 25 2HD LYS 25 16.045 0.403 6.794 226 HD3 LYS 25 1HD LYS 25 16.124 -1.117 5.910 227 HE2 LYS 25 2HE LYS 25 18.531 -0.786 7.472 228 HE3 LYS 25 1HE LYS 25 17.119 -0.585 8.510 229 HZ1 LYS 25 3HZ LYS 25 16.239 -2.668 7.557 230 HZ2 LYS 25 1HZ LYS 25 17.681 -2.886 8.419 231 HZ3 LYS 25 2HZ LYS 25 17.703 -2.886 6.713 232 H ALA 26 H ALA 26 17.494 -1.607 4.147 233 HA ALA 26 HA ALA 26 18.293 -3.608 2.438 234 HB1 ALA 26 1HB ALA 26 20.583 -2.380 3.912 235 HB2 ALA 26 2HB ALA 26 20.543 -3.122 2.312 236 HB3 ALA 26 3HB ALA 26 20.550 -4.136 3.755 Start of MODEL 20 1 H1 LYS 1 1HT LYS 1 9.982 22.575 -11.973 2 H2 LYS 1 2HT LYS 1 9.866 20.912 -11.665 3 H3 LYS 1 3HT LYS 1 9.723 22.022 -10.395 4 HA LYS 1 HA LYS 1 7.713 22.928 -11.508 5 HB2 LYS 1 2HB LYS 1 7.923 20.327 -13.055 6 HB3 LYS 1 1HB LYS 1 6.658 21.545 -13.203 7 HG2 LYS 1 2HG LYS 1 9.568 22.172 -13.735 8 HG3 LYS 1 1HG LYS 1 8.482 21.597 -14.994 9 HD2 LYS 1 2HD LYS 1 6.920 23.535 -14.213 10 HD3 LYS 1 1HD LYS 1 8.375 24.184 -13.451 11 HE2 LYS 1 2HE LYS 1 8.038 25.079 -15.755 12 HE3 LYS 1 1HE LYS 1 9.550 24.183 -15.599 13 HZ1 LYS 1 2HZ LYS 1 7.249 22.595 -16.350 14 HZ2 LYS 1 3HZ LYS 1 8.834 22.573 -16.964 15 HZ3 LYS 1 1HZ LYS 1 7.729 23.740 -17.507 16 H LYS 2 H LYS 2 7.437 22.563 -9.251 17 HA LYS 2 HA LYS 2 7.100 19.993 -8.107 18 HB2 LYS 2 2HB LYS 2 5.918 21.347 -6.263 19 HB3 LYS 2 1HB LYS 2 7.613 21.710 -6.585 20 HG2 LYS 2 2HG LYS 2 7.140 23.804 -7.303 21 HG3 LYS 2 1HG LYS 2 5.773 23.254 -8.271 22 HD2 LYS 2 2HD LYS 2 4.302 23.282 -6.372 23 HD3 LYS 2 1HD LYS 2 5.649 23.490 -5.255 24 HE2 LYS 2 2HE LYS 2 4.148 25.560 -6.100 25 HE3 LYS 2 1HE LYS 2 5.852 25.733 -5.688 26 HZ1 LYS 2 3HZ LYS 2 5.272 26.703 -7.856 27 HZ2 LYS 2 1HZ LYS 2 4.833 25.168 -8.418 28 HZ3 LYS 2 2HZ LYS 2 6.443 25.485 -7.977 29 H ALA 3 H ALA 3 5.672 19.026 -9.737 30 HA ALA 3 HA ALA 3 2.965 19.923 -10.041 31 HB1 ALA 3 1HB ALA 3 3.807 17.051 -10.383 32 HB2 ALA 3 2HB ALA 3 4.340 18.272 -11.538 33 HB3 ALA 3 3HB ALA 3 2.620 17.976 -11.302 34 H LEU 4 H LEU 4 3.168 20.222 -7.520 35 HA LEU 4 HA LEU 4 2.961 18.253 -5.649 36 HB2 LEU 4 2HB LEU 4 2.905 20.748 -5.252 37 HB3 LEU 4 1HB LEU 4 1.195 20.702 -5.668 38 HG LEU 4 HG LEU 4 0.711 19.198 -3.831 39 HD11 LEU 4 1HD1 LEU 4 3.680 18.945 -3.820 40 HD12 LEU 4 2HD1 LEU 4 2.439 17.721 -3.532 41 HD13 LEU 4 3HD1 LEU 4 2.863 18.871 -2.262 42 HD21 LEU 4 3HD2 LEU 4 0.959 20.724 -2.095 43 HD22 LEU 4 1HD2 LEU 4 1.237 21.765 -3.490 44 HD23 LEU 4 2HD2 LEU 4 2.609 21.152 -2.566 45 H LEU 5 H LEU 5 0.266 19.731 -7.333 46 HA LEU 5 HA LEU 5 -1.849 18.262 -6.403 47 HB2 LEU 5 2HB LEU 5 -2.801 18.483 -8.793 48 HB3 LEU 5 1HB LEU 5 -2.423 19.965 -7.921 49 HG LEU 5 HG LEU 5 -0.012 19.296 -9.196 50 HD11 LEU 5 1HD1 LEU 5 -1.256 19.337 -11.630 51 HD12 LEU 5 2HD1 LEU 5 -2.358 18.312 -10.712 52 HD13 LEU 5 3HD1 LEU 5 -0.657 17.874 -10.862 53 HD21 LEU 5 3HD2 LEU 5 -1.060 21.551 -8.886 54 HD22 LEU 5 1HD2 LEU 5 -2.186 21.169 -10.191 55 HD23 LEU 5 2HD2 LEU 5 -0.457 21.297 -10.523 56 H ALA 6 H ALA 6 0.211 17.427 -9.124 57 HA ALA 6 HA ALA 6 -0.956 14.832 -9.488 58 HB1 ALA 6 1HB ALA 6 0.088 15.897 -11.390 59 HB2 ALA 6 2HB ALA 6 1.012 14.447 -10.997 60 HB3 ALA 6 3HB ALA 6 1.618 16.034 -10.522 61 H LEU 7 H LEU 7 1.870 16.114 -7.871 62 HA LEU 7 HA LEU 7 3.172 13.734 -7.183 63 HB2 LEU 7 2HB LEU 7 4.250 15.873 -6.826 64 HB3 LEU 7 1HB LEU 7 2.976 16.367 -5.715 65 HG LEU 7 HG LEU 7 3.616 14.516 -4.190 66 HD11 LEU 7 1HD1 LEU 7 5.372 13.889 -6.484 67 HD12 LEU 7 2HD1 LEU 7 4.707 12.820 -5.251 68 HD13 LEU 7 3HD1 LEU 7 6.147 13.775 -4.907 69 HD21 LEU 7 3HD2 LEU 7 5.472 16.717 -4.967 70 HD22 LEU 7 1HD2 LEU 7 6.095 15.497 -3.854 71 HD23 LEU 7 2HD2 LEU 7 4.657 16.427 -3.431 72 H ALA 8 H ALA 8 0.847 15.633 -5.335 73 HA ALA 8 HA ALA 8 0.508 13.907 -3.163 74 HB1 ALA 8 1HB ALA 8 -0.424 16.257 -3.421 75 HB2 ALA 8 2HB ALA 8 -1.531 15.077 -2.718 76 HB3 ALA 8 3HB ALA 8 -1.701 15.544 -4.412 77 H LEU 9 H LEU 9 -1.472 14.218 -6.055 78 HA LEU 9 HA LEU 9 -3.231 12.117 -5.701 79 HB2 LEU 9 2HB LEU 9 -3.523 13.620 -7.567 80 HB3 LEU 9 1HB LEU 9 -1.973 13.139 -8.256 81 HG LEU 9 HG LEU 9 -2.815 10.857 -8.595 82 HD11 LEU 9 1HD1 LEU 9 -5.167 11.992 -7.110 83 HD12 LEU 9 2HD1 LEU 9 -4.383 10.427 -6.918 84 HD13 LEU 9 3HD1 LEU 9 -5.436 10.718 -8.297 85 HD21 LEU 9 3HD2 LEU 9 -4.840 12.844 -9.651 86 HD22 LEU 9 1HD2 LEU 9 -4.297 11.349 -10.414 87 HD23 LEU 9 2HD2 LEU 9 -3.196 12.722 -10.283 88 H HIS 10 H HIS 10 -0.051 12.039 -7.206 89 HA HIS 10 HA HIS 10 -0.072 9.241 -7.720 90 HB2 HIS 10 2HB HIS 10 1.586 10.039 -9.021 91 HB3 HIS 10 1HB HIS 10 1.812 11.457 -8.001 92 HD1 HIS 10 1HD HIS 10 2.680 7.743 -8.020 93 HD2 HIS 10 2HD HIS 10 4.083 11.332 -6.416 94 HE1 HIS 10 1HE HIS 10 4.850 7.195 -6.825 95 HE2 HIS 10 2HE HIS 10 5.723 9.378 -5.836 96 H HIS 11 H HIS 11 1.281 11.210 -5.140 97 HA HIS 11 HA HIS 11 2.728 9.344 -3.733 98 HB2 HIS 11 2HB HIS 11 1.348 11.850 -3.048 99 HB3 HIS 11 1HB HIS 11 1.621 10.767 -1.686 100 HD1 HIS 11 1HD HIS 11 4.329 9.550 -2.908 101 HD2 HIS 11 2HD HIS 11 3.479 13.602 -2.337 102 HE1 HIS 11 1HE HIS 11 6.564 10.747 -2.782 103 HE2 HIS 11 2HE HIS 11 6.063 13.220 -2.455 104 H LEU 12 H LEU 12 1.993 7.302 -3.505 105 HA LEU 12 HA LEU 12 -0.003 6.828 -1.507 106 HB2 LEU 12 2HB LEU 12 -1.144 7.119 -3.914 107 HB3 LEU 12 1HB LEU 12 -0.660 5.430 -4.052 108 HG LEU 12 HG LEU 12 -2.272 6.572 -1.750 109 HD11 LEU 12 1HD1 LEU 12 -3.541 6.583 -3.855 110 HD12 LEU 12 2HD1 LEU 12 -4.153 5.335 -2.770 111 HD13 LEU 12 3HD1 LEU 12 -3.118 4.897 -4.130 112 HD21 LEU 12 3HD2 LEU 12 -1.093 4.641 -0.990 113 HD22 LEU 12 1HD2 LEU 12 -1.343 3.794 -2.514 114 HD23 LEU 12 2HD2 LEU 12 -2.703 4.057 -1.417 115 H ALA 13 H ALA 13 0.897 4.778 -4.218 116 HA ALA 13 HA ALA 13 1.901 2.689 -4.262 117 HB1 ALA 13 1HB ALA 13 3.802 4.386 -4.016 118 HB2 ALA 13 2HB ALA 13 4.166 2.713 -3.586 119 HB3 ALA 13 3HB ALA 13 3.856 3.902 -2.321 120 H HIS 14 H HIS 14 3.416 1.325 -2.411 121 HA HIS 14 HA HIS 14 2.657 1.098 0.186 122 HB2 HIS 14 2HB HIS 14 0.424 0.370 -1.500 123 HB3 HIS 14 1HB HIS 14 0.959 -1.017 -0.552 124 HD1 HIS 14 1HD HIS 14 -0.843 -0.988 1.250 125 HD2 HIS 14 2HD HIS 14 1.077 2.695 0.825 126 HE1 HIS 14 1HE HIS 14 -1.577 0.431 3.218 127 HE2 HIS 14 2HE HIS 14 -0.420 2.677 2.978 128 H LEU 15 H LEU 15 2.559 -1.179 -2.524 129 HA LEU 15 HA LEU 15 4.089 -3.146 -1.123 130 HB2 LEU 15 2HB LEU 15 3.633 -2.873 -4.109 131 HB3 LEU 15 1HB LEU 15 4.186 -4.325 -3.272 132 HG LEU 15 HG LEU 15 1.532 -2.960 -2.730 133 HD11 LEU 15 1HD1 LEU 15 1.839 -5.589 -4.156 134 HD12 LEU 15 2HD1 LEU 15 1.929 -4.078 -5.058 135 HD13 LEU 15 3HD1 LEU 15 0.472 -4.479 -4.151 136 HD21 LEU 15 3HD2 LEU 15 1.001 -5.075 -1.570 137 HD22 LEU 15 1HD2 LEU 15 2.407 -4.300 -0.847 138 HD23 LEU 15 2HD2 LEU 15 2.617 -5.681 -1.926 139 H ALA 16 H ALA 16 4.763 -0.376 -3.021 140 HA ALA 16 HA ALA 16 7.456 -1.044 -3.702 141 HB1 ALA 16 1HB ALA 16 7.631 1.298 -4.399 142 HB2 ALA 16 2HB ALA 16 6.083 1.647 -3.631 143 HB3 ALA 16 3HB ALA 16 6.153 0.571 -5.024 144 H LEU 17 H LEU 17 5.997 1.138 -1.355 145 HA LEU 17 HA LEU 17 7.959 2.403 -0.114 146 HB2 LEU 17 2HB LEU 17 6.396 2.751 1.444 147 HB3 LEU 17 1HB LEU 17 5.402 1.540 0.652 148 HG LEU 17 HG LEU 17 6.664 -0.203 2.059 149 HD11 LEU 17 1HD1 LEU 17 8.112 2.129 2.825 150 HD12 LEU 17 2HD1 LEU 17 8.303 0.488 3.442 151 HD13 LEU 17 3HD1 LEU 17 7.194 1.607 4.235 152 HD21 LEU 17 3HD2 LEU 17 5.089 1.775 3.704 153 HD22 LEU 17 1HD2 LEU 17 5.108 0.017 3.823 154 HD23 LEU 17 2HD2 LEU 17 4.322 0.797 2.450 155 H HIS 18 H HIS 18 7.290 -0.983 0.339 156 HA HIS 18 HA HIS 18 9.496 -1.467 2.123 157 HB2 HIS 18 2HB HIS 18 8.330 -3.625 0.400 158 HB3 HIS 18 1HB HIS 18 8.914 -3.708 2.054 159 HD1 HIS 18 1HD HIS 18 7.230 -3.165 3.934 160 HD2 HIS 18 2HD HIS 18 5.751 -2.447 0.102 161 HE1 HIS 18 1HE HIS 18 4.755 -2.656 4.199 162 HE2 HIS 18 2HE HIS 18 3.843 -2.197 1.868 163 H LEU 19 H LEU 19 8.919 -2.519 -1.183 164 HA LEU 19 HA LEU 19 11.463 -3.458 -1.793 165 HB2 LEU 19 2HB LEU 19 9.633 -3.918 -3.266 166 HB3 LEU 19 1HB LEU 19 9.310 -2.205 -3.506 167 HG LEU 19 HG LEU 19 12.030 -3.246 -4.230 168 HD11 LEU 19 1HD1 LEU 19 10.735 -4.908 -5.336 169 HD12 LEU 19 2HD1 LEU 19 11.059 -3.683 -6.565 170 HD13 LEU 19 3HD1 LEU 19 9.482 -3.745 -5.775 171 HD21 LEU 19 3HD2 LEU 19 10.717 -1.511 -6.138 172 HD22 LEU 19 1HD2 LEU 19 12.172 -1.211 -5.189 173 HD23 LEU 19 2HD2 LEU 19 10.590 -0.827 -4.518 174 H ALA 20 H ALA 20 10.193 -0.269 -1.585 175 HA ALA 20 HA ALA 20 12.336 1.056 -2.965 176 HB1 ALA 20 1HB ALA 20 11.385 3.112 -1.858 177 HB2 ALA 20 2HB ALA 20 10.210 2.065 -1.061 178 HB3 ALA 20 3HB ALA 20 10.216 2.207 -2.816 179 H LEU 21 H LEU 21 11.410 0.635 0.417 180 HA LEU 21 HA LEU 21 13.630 1.877 1.597 181 HB2 LEU 21 2HB LEU 21 11.529 -0.002 2.445 182 HB3 LEU 21 1HB LEU 21 13.039 -0.169 3.339 183 HG LEU 21 HG LEU 21 11.624 2.473 2.887 184 HD11 LEU 21 1HD1 LEU 21 10.512 2.225 4.883 185 HD12 LEU 21 2HD1 LEU 21 11.738 1.157 5.560 186 HD13 LEU 21 3HD1 LEU 21 10.567 0.532 4.395 187 HD21 LEU 21 3HD2 LEU 21 14.192 1.633 4.066 188 HD22 LEU 21 1HD2 LEU 21 13.233 2.668 5.125 189 HD23 LEU 21 2HD2 LEU 21 13.677 3.225 3.513 190 H ALA 22 H ALA 22 13.019 -1.509 0.886 191 HA ALA 22 HA ALA 22 15.524 -2.565 1.564 192 HB1 ALA 22 1HB ALA 22 13.687 -3.509 -0.654 193 HB2 ALA 22 2HB ALA 22 13.520 -3.946 1.048 194 HB3 ALA 22 3HB ALA 22 14.941 -4.456 0.139 195 H LEU 23 H LEU 23 14.446 -0.852 -1.259 196 HA LEU 23 HA LEU 23 16.474 -1.514 -3.069 197 HB2 LEU 23 2HB LEU 23 14.308 0.117 -3.179 198 HB3 LEU 23 1HB LEU 23 15.588 1.315 -3.043 199 HG LEU 23 HG LEU 23 15.785 -0.948 -5.030 200 HD11 LEU 23 1HD1 LEU 23 13.659 0.233 -5.466 201 HD12 LEU 23 2HD1 LEU 23 14.844 0.565 -6.728 202 HD13 LEU 23 3HD1 LEU 23 14.518 1.771 -5.482 203 HD21 LEU 23 3HD2 LEU 23 17.201 0.774 -6.194 204 HD22 LEU 23 1HD2 LEU 23 17.831 0.296 -4.623 205 HD23 LEU 23 2HD2 LEU 23 16.982 1.829 -4.801 206 H LYS 24 H LYS 24 16.274 1.016 -0.640 207 HA LYS 24 HA LYS 24 19.070 1.755 -1.070 208 HB2 LYS 24 2HB LYS 24 16.871 2.892 0.651 209 HB3 LYS 24 1HB LYS 24 18.543 3.420 0.797 210 HG2 LYS 24 2HG LYS 24 17.789 4.961 -0.758 211 HG3 LYS 24 1HG LYS 24 18.342 3.684 -1.844 212 HD2 LYS 24 2HD LYS 24 16.171 4.148 -2.658 213 HD3 LYS 24 1HD LYS 24 15.909 2.752 -1.615 214 HE2 LYS 24 2HE LYS 24 14.244 4.594 -1.248 215 HE3 LYS 24 1HE LYS 24 15.155 4.172 0.199 216 HZ1 LYS 24 3HZ LYS 24 14.879 6.647 -0.645 217 HZ2 LYS 24 1HZ LYS 24 16.282 6.243 -1.504 218 HZ3 LYS 24 2HZ LYS 24 16.260 6.117 0.190 219 H LYS 25 H LYS 25 16.975 0.464 1.431 220 HA LYS 25 HA LYS 25 19.143 0.034 3.282 221 HB2 LYS 25 2HB LYS 25 16.447 0.335 3.595 222 HB3 LYS 25 1HB LYS 25 16.608 -1.411 3.732 223 HG2 LYS 25 2HG LYS 25 18.728 -0.146 5.222 224 HG3 LYS 25 1HG LYS 25 17.185 0.546 5.704 225 HD2 LYS 25 2HD LYS 25 17.556 -1.368 7.111 226 HD3 LYS 25 1HD LYS 25 16.297 -1.806 5.962 227 HE2 LYS 25 2HE LYS 25 17.980 -3.609 6.210 228 HE3 LYS 25 1HE LYS 25 17.928 -2.981 4.568 229 HZ1 LYS 25 3HZ LYS 25 19.777 -1.413 5.446 230 HZ2 LYS 25 1HZ LYS 25 20.171 -3.001 4.983 231 HZ3 LYS 25 2HZ LYS 25 19.984 -2.606 6.633 232 H ALA 26 H ALA 26 20.595 -1.334 2.264 233 HA ALA 26 HA ALA 26 19.707 -3.847 1.113 234 HB1 ALA 26 1HB ALA 26 21.606 -3.432 -0.029 235 HB2 ALA 26 2HB ALA 26 22.460 -4.003 1.403 236 HB3 ALA 26 3HB ALA 26 22.172 -2.278 1.175
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