NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
7459 | 1kkv | 5252 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* C 1 1H5' C 1 3.871 -10.425 1.224 2 2H5* C 1 2H5' C 1 2.684 -9.183 1.666 3 H4* C 1 H4' C 1 5.539 -8.700 0.689 4 H3* C 1 H3' C 1 4.927 -9.440 3.234 5 H1* C 1 H1' C 1 5.072 -5.785 2.448 6 1H4 C 1 1H4 C 1 -1.273 -3.533 2.055 7 2H4 C 1 2H4 C 1 -0.228 -2.135 1.949 8 H5 C 1 H5 C 1 -0.405 -5.847 2.125 9 H6 C 1 H6 C 1 1.606 -7.180 2.279 10 H5T C 1 H5' C 1 3.014 -8.347 -0.495 11 2H2* C 1 1H2' C 1 4.504 -7.005 4.334 12 1H2* C 1 2H2' C 1 3.193 -7.877 3.535 13 1H5* C 2 1H5' C 2 7.255 -5.451 2.355 14 2H5* C 2 2H5' C 2 8.794 -5.676 3.139 15 H4* C 2 H4' C 2 8.318 -3.261 3.006 16 H3* C 2 H3' C 2 8.979 -4.425 5.466 17 H1* C 2 H1' C 2 6.537 -1.771 4.854 18 1H4 C 2 1H4 C 2 0.247 -4.243 5.351 19 2H4 C 2 2H4 C 2 0.106 -2.511 5.125 20 H5 C 2 H5 C 2 2.465 -5.392 5.420 21 H6 C 2 H6 C 2 4.823 -5.044 5.397 22 2H2* C 2 1H2' C 2 7.149 -2.923 6.854 23 1H2* C 2 2H2' C 2 6.726 -4.504 6.192 24 1H5* A 3 1H5' A 3 7.410 0.313 5.050 25 2H5* A 3 2H5' A 3 9.086 0.918 5.471 26 H4* A 3 H4' A 3 7.577 2.577 5.724 27 H3* A 3 H3' A 3 8.889 1.579 7.862 28 H1* A 3 H1' A 3 5.384 2.532 7.733 29 H8 A 3 H8 A 3 5.646 -1.322 8.488 30 1H6 A 3 1H6 A 3 -0.502 -1.544 7.682 31 2H6 A 3 2H6 A 3 0.957 -2.485 7.922 32 H2 A 3 H2 A 3 0.726 2.744 7.532 33 2H2* A 3 1H2' A 3 6.627 1.717 9.584 34 1H2* A 3 2H2' A 3 7.073 0.307 8.702 35 1H5* C 4 1H5' C 4 6.217 4.445 7.651 36 2H5* C 4 2H5' C 4 6.292 6.115 7.164 37 H4* C 4 H4' C 4 4.529 6.533 8.467 38 H3* C 4 H3' C 4 6.518 6.211 10.686 39 H1* C 4 H1' C 4 2.907 5.442 10.349 40 1H4 C 4 1H4 C 4 2.090 -1.180 11.358 41 2H4 C 4 2H4 C 4 0.486 -0.533 11.107 42 H5 C 4 H5 C 4 4.131 0.200 11.274 43 H6 C 4 H6 C 4 4.941 2.391 10.996 44 2H2* C 4 1H2' C 4 4.603 5.413 12.068 45 1H2* C 4 2H2' C 4 5.544 4.338 11.333 46 1H5* G 5 1H5' G 5 2.266 7.667 10.726 47 2H5* G 5 2H5' G 5 2.386 9.342 11.333 48 H4* G 5 H4' G 5 0.166 8.680 11.845 49 H3* G 5 H3' G 5 1.858 9.133 14.199 50 H1* G 5 H1' G 5 -0.827 6.676 13.982 51 H8 G 5 H8 G 5 2.810 5.013 13.820 52 H1 G 5 H1 G 5 -1.974 0.704 13.766 53 1H2 G 5 1H2 G 5 -4.079 3.507 13.622 54 2H2 G 5 2H2 G 5 -3.970 1.761 13.648 55 2H2* G 5 1H2' G 5 0.803 7.423 15.565 56 1H2* G 5 2H2' G 5 2.099 6.999 14.557 57 1H5* C 6 1H5' C 6 -2.472 8.294 13.683 58 2H5* C 6 2H5' C 6 -3.387 9.548 14.566 59 H4* C 6 H4' C 6 -4.692 7.432 14.648 60 H3* C 6 H3' C 6 -3.526 8.686 17.044 61 H1* C 6 H1' C 6 -4.476 5.159 16.249 62 1H4 C 6 1H4 C 6 1.687 2.555 17.466 63 2H4 C 6 2H4 C 6 0.579 1.201 17.398 64 H5 C 6 H5 C 6 0.942 4.879 17.232 65 H6 C 6 H6 C 6 -0.949 6.317 16.630 66 2H2* C 6 1H2' C 6 -4.301 6.323 18.181 67 1H2* C 6 2H2' C 6 -2.620 6.863 17.881 68 1H5* G 7 1H5' G 7 -6.646 5.797 16.969 69 2H5* G 7 2H5' G 7 -8.225 6.287 17.668 70 H4* G 7 H4' G 7 -7.986 3.945 18.134 71 H3* G 7 H3' G 7 -7.782 5.696 20.494 72 H1* G 7 H1' G 7 -6.271 2.323 19.729 73 H8 G 7 H8 G 7 -3.877 5.150 20.293 74 H1 G 7 H1 G 7 -0.991 -0.582 20.170 75 1H2 G 7 1H2 G 7 -4.246 -1.772 19.709 76 2H2 G 7 2H2 G 7 -2.563 -2.176 19.961 77 2H2* G 7 1H2' G 7 -6.476 3.615 21.636 78 1H2* G 7 2H2' G 7 -5.767 4.936 21.146 79 1H5* T 8 1H5' T 8 -8.075 1.188 20.067 80 2H5* T 8 2H5' T 8 -9.366 0.683 21.114 81 H4* T 8 H4' T 8 -7.773 -1.196 21.029 82 H3* T 8 H3' T 8 -8.745 -0.027 23.471 83 1H2* T 8 2H2' T 8 -6.717 0.797 23.896 84 2H2* T 8 1H2' T 8 -6.498 -0.876 24.558 85 H1* T 8 H1' T 8 -5.469 -1.607 22.585 86 H3 T 8 H3 T 8 -1.271 -0.022 23.729 87 1H5M T 8 1H5M T 8 -2.703 4.459 22.957 88 2H5M T 8 2H5M T 8 -4.467 4.364 23.088 89 3H5M T 8 3H5M T 8 -3.445 4.233 24.527 90 H6 T 8 H6 T 8 -5.465 2.065 22.686 91 1H5* G 9 1H5' G 9 -6.132 -3.527 23.207 92 2H5* G 9 2H5' G 9 -7.158 -4.859 23.596 93 H4* G 9 H4' G 9 -4.998 -5.620 24.190 94 H3* G 9 H3' G 9 -6.738 -5.248 26.405 95 H1* G 9 H1' G 9 -3.090 -4.608 26.270 96 H8 G 9 H8 G 9 -4.797 -1.080 26.682 97 H1 G 9 H1 G 9 1.599 -1.022 25.967 98 1H2 G 9 1H2 G 9 1.235 -4.518 25.707 99 2H2 G 9 2H2 G 9 2.351 -3.172 25.728 100 2H2* G 9 1H2' G 9 -4.698 -4.343 28.024 101 1H2* G 9 2H2' G 9 -5.671 -3.220 27.043 102 1H5* G 10 1H5' G 10 -2.470 -6.851 26.171 103 2H5* G 10 2H5' G 10 -2.576 -8.482 26.869 104 H4* G 10 H4' G 10 -0.326 -7.935 26.868 105 H3* G 10 H3' G 10 -1.536 -8.558 29.273 106 H1* G 10 H1' G 10 0.983 -5.714 29.016 107 H8 G 10 H8 G 10 -2.603 -4.209 29.299 108 H1 G 10 H1 G 10 2.220 0.036 29.092 109 1H2 G 10 1H2 G 10 4.211 -2.788 28.502 110 2H2 G 10 2H2 G 10 4.154 -1.048 28.658 111 H3T G 10 HO3 G 10 0.619 -8.802 30.048 112 2H2* G 10 1H2' G 10 -0.239 -6.688 30.779 113 1H2* G 10 2H2' G 10 -1.811 -6.315 30.020 114 1H5* C 1 1H5' C 1 8.821 6.318 29.374 115 2H5* C 1 2H5' C 1 7.152 5.955 28.895 116 H4* C 1 H4' C 1 9.228 3.953 29.907 117 H3* C 1 H3' C 1 9.187 4.920 27.365 118 H1* C 1 H1' C 1 7.241 1.805 28.100 119 1H4 C 1 1H4 C 1 0.723 3.515 28.406 120 2H4 C 1 2H4 C 1 0.793 1.772 28.499 121 H5 C 1 H5 C 1 2.742 4.935 28.355 122 H6 C 1 H6 C 1 5.154 4.905 28.238 123 H5T C 1 H5' C 1 6.912 5.069 31.048 124 2H2* C 1 1H2' C 1 7.497 3.140 26.223 125 1H2* C 1 2H2' C 1 6.882 4.594 27.014 126 1H5* C 2 1H5' C 2 8.863 0.312 28.213 127 2H5* C 2 2H5' C 2 10.282 -0.358 27.457 128 H4* C 2 H4' C 2 8.541 -2.096 27.535 129 H3* C 2 H3' C 2 9.778 -1.459 25.100 130 H1* C 2 H1' C 2 6.261 -2.336 25.652 131 1H4 C 2 1H4 C 2 2.438 3.237 25.117 132 2H4 C 2 2H4 C 2 1.345 1.884 25.327 133 H5 C 2 H5 C 2 4.916 2.947 25.088 134 H6 C 2 H6 C 2 6.675 1.342 25.138 135 2H2* C 2 1H2' C 2 7.437 -1.708 23.674 136 1H2* C 2 2H2' C 2 7.954 -0.161 24.349 137 1H5* A 3 1H5' A 3 5.844 -4.579 25.440 138 2H5* A 3 2H5' A 3 6.943 -5.979 25.020 139 H4* A 3 H4' A 3 4.781 -6.575 24.654 140 H3* A 3 H3' A 3 6.518 -6.320 22.593 141 H1* A 3 H1' A 3 3.037 -5.305 22.658 142 H8 A 3 H8 A 3 5.335 -2.172 21.969 143 1H6 A 3 1H6 A 3 0.325 1.347 22.838 144 2H6 A 3 2H6 A 3 2.057 1.323 22.586 145 H2 A 3 H2 A 3 -1.006 -2.923 22.940 146 2H2* A 3 1H2' A 3 4.524 -5.264 20.817 147 1H2* A 3 2H2' A 3 5.657 -4.314 21.722 148 1H5* C 4 1H5' C 4 2.744 -7.360 22.724 149 2H5* C 4 2H5' C 4 2.446 -9.015 22.253 150 H4* C 4 H4' C 4 0.233 -7.936 22.048 151 H3* C 4 H3' C 4 1.594 -8.940 19.656 152 H1* C 4 H1' C 4 -0.712 -6.128 20.127 153 1H4 C 4 1H4 C 4 2.482 -0.247 19.072 154 2H4 C 4 2H4 C 4 0.807 0.163 19.346 155 H5 C 4 H5 C 4 3.333 -2.559 19.125 156 H6 C 4 H6 C 4 2.717 -4.824 19.407 157 2H2* C 4 1H2' C 4 0.674 -7.031 18.307 158 1H2* C 4 2H2' C 4 2.048 -6.752 19.072 159 1H5* G 5 1H5' G 5 -2.700 -7.344 19.837 160 2H5* G 5 2H5' G 5 -3.642 -8.770 19.313 161 H4* G 5 H4' G 5 -5.048 -6.951 18.754 162 H3* G 5 H3' G 5 -3.966 -8.342 16.408 163 H1* G 5 H1' G 5 -4.670 -4.775 16.587 164 H8 G 5 H8 G 5 -0.758 -5.589 16.799 165 H1 G 5 H1 G 5 -2.073 0.710 16.643 166 1H2 G 5 1H2 G 5 -5.431 -0.317 16.780 167 2H2 G 5 2H2 G 5 -4.318 1.031 16.724 168 2H2* G 5 1H2' G 5 -3.786 -6.354 15.020 169 1H2* G 5 2H2' G 5 -2.498 -6.770 16.038 170 1H5* C 6 1H5' C 6 -6.959 -5.066 16.877 171 2H5* C 6 2H5' C 6 -8.427 -5.569 15.996 172 H4* C 6 H4' C 6 -8.252 -3.097 15.839 173 H3* C 6 H3' C 6 -8.009 -4.872 13.499 174 H1* C 6 H1' C 6 -6.745 -1.422 14.196 175 1H4 C 6 1H4 C 6 -0.209 -2.924 13.065 176 2H4 C 6 2H4 C 6 -0.319 -1.177 13.068 177 H5 C 6 H5 C 6 -2.165 -4.374 13.364 178 H6 C 6 H6 C 6 -4.538 -4.424 13.945 179 2H2* C 6 1H2' C 6 -7.266 -2.530 12.295 180 1H2* C 6 2H2' C 6 -6.209 -3.934 12.646 181 1H5* G 7 1H5' G 7 -8.879 -0.720 13.422 182 2H5* G 7 2H5' G 7 -10.451 -0.234 12.701 183 H4* G 7 H4' G 7 -8.913 1.521 12.162 184 H3* G 7 H3' G 7 -9.719 -0.135 9.861 185 H1* G 7 H1' G 7 -6.564 1.802 10.584 186 H8 G 7 H8 G 7 -6.202 -1.904 10.173 187 H1 G 7 H1 G 7 -0.555 1.147 10.283 188 1H2 G 7 1H2 G 7 -2.537 3.999 10.678 189 2H2 G 7 2H2 G 7 -0.924 3.357 10.469 190 2H2* G 7 1H2' G 7 -7.447 0.781 8.709 191 1H2* G 7 2H2' G 7 -7.625 -0.689 9.257 192 1H5* T 8 1H5' T 8 -7.402 3.740 10.145 193 2H5* T 8 2H5' T 8 -8.151 4.850 9.038 194 H4* T 8 H4' T 8 -5.773 5.484 9.140 195 H3* T 8 H3' T 8 -7.181 4.977 6.684 196 1H2* T 8 2H2' T 8 -5.983 3.126 6.362 197 2H2* T 8 1H2' T 8 -4.832 4.346 5.680 198 H1* T 8 H1' T 8 -3.618 4.430 7.681 199 H3 T 8 H3 T 8 -1.067 0.678 6.733 200 1H5M T 8 1H5M T 8 -5.276 -1.579 5.933 201 2H5M T 8 2H5M T 8 -4.827 -2.140 7.531 202 3H5M T 8 3H5M T 8 -6.213 -1.053 7.339 203 H6 T 8 H6 T 8 -5.718 1.420 7.649 204 1H5* G 9 1H5' G 9 -3.046 6.370 7.043 205 2H5* G 9 2H5' G 9 -3.110 8.030 6.572 206 H4* G 9 H4' G 9 -0.880 7.389 6.103 207 H3* G 9 H3' G 9 -2.431 8.003 3.805 208 H1* G 9 H1' G 9 0.186 5.403 4.129 209 H8 G 9 H8 G 9 -3.216 3.466 3.673 210 H1 G 9 H1 G 9 1.996 -0.207 4.559 211 1H2 G 9 1H2 G 9 3.682 2.881 4.778 212 2H2 G 9 2H2 G 9 3.836 1.140 4.797 213 2H2* G 9 1H2' G 9 -1.219 6.041 2.297 214 1H2* G 9 2H2' G 9 -2.695 5.707 3.239 215 1H5* G 10 1H5' G 10 1.981 6.884 4.230 216 2H5* G 10 2H5' G 10 2.842 8.272 3.532 217 H4* G 10 H4' G 10 4.385 6.545 3.626 218 H3* G 10 H3' G 10 3.830 7.697 1.177 219 H1* G 10 H1' G 10 4.273 3.931 1.524 220 H8 G 10 H8 G 10 0.476 4.731 1.125 221 H1 G 10 H1 G 10 2.021 -1.501 1.440 222 1H2 G 10 1H2 G 10 5.265 -0.303 2.030 223 2H2 G 10 2H2 G 10 4.232 -1.705 1.876 224 H3T G 10 HO3 G 10 5.767 6.658 0.490 225 2H2* G 10 1H2' G 10 3.887 5.391 -0.283 226 1H2* G 10 2H2' G 10 2.355 5.991 0.410 Start of MODEL 2 1 1H5* C 1 1H5' C 1 3.520 -10.127 0.838 2 2H5* C 1 2H5' C 1 2.341 -8.896 1.326 3 H4* C 1 H4' C 1 5.102 -8.368 0.124 4 H3* C 1 H3' C 1 4.738 -9.155 2.702 5 H1* C 1 H1' C 1 4.760 -5.489 1.969 6 1H4 C 1 1H4 C 1 -1.624 -3.314 2.134 7 2H4 C 1 2H4 C 1 -0.601 -1.905 1.971 8 H5 C 1 H5 C 1 -0.721 -5.621 2.124 9 H6 C 1 H6 C 1 1.314 -6.927 2.088 10 H5T C 1 H5' C 1 1.979 -9.682 -0.786 11 2H2* C 1 1H2' C 1 4.380 -6.749 3.878 12 1H2* C 1 2H2' C 1 3.014 -7.627 3.182 13 1H5* C 2 1H5' C 2 6.917 -5.105 1.692 14 2H5* C 2 2H5' C 2 8.523 -5.319 2.332 15 H4* C 2 H4' C 2 7.995 -2.910 2.301 16 H3* C 2 H3' C 2 8.894 -4.128 4.659 17 H1* C 2 H1' C 2 6.371 -1.489 4.343 18 1H4 C 2 1H4 C 2 0.187 -4.087 5.318 19 2H4 C 2 2H4 C 2 0.004 -2.352 5.144 20 H5 C 2 H5 C 2 2.424 -5.200 5.168 21 H6 C 2 H6 C 2 4.766 -4.810 4.944 22 2H2* C 2 1H2' C 2 7.182 -2.679 6.246 23 1H2* C 2 2H2' C 2 6.721 -4.250 5.587 24 1H5* A 3 1H5' A 3 7.231 0.636 4.476 25 2H5* A 3 2H5' A 3 8.947 1.211 4.755 26 H4* A 3 H4' A 3 7.505 2.889 5.248 27 H3* A 3 H3' A 3 8.978 1.715 7.191 28 H1* A 3 H1' A 3 5.502 2.756 7.423 29 H8 A 3 H8 A 3 5.795 -1.136 8.037 30 1H6 A 3 1H6 A 3 -0.369 -1.368 7.701 31 2H6 A 3 2H6 A 3 1.115 -2.289 7.838 32 H2 A 3 H2 A 3 0.811 2.938 7.493 33 2H2* A 3 1H2' A 3 6.880 1.889 9.145 34 1H2* A 3 2H2' A 3 7.235 0.490 8.193 35 1H5* C 4 1H5' C 4 6.371 4.639 7.313 36 2H5* C 4 2H5' C 4 7.072 6.177 7.747 37 H4* C 4 H4' C 4 4.669 6.504 8.195 38 H3* C 4 H3' C 4 6.580 6.520 10.416 39 H1* C 4 H1' C 4 3.062 5.485 10.255 40 1H4 C 4 1H4 C 4 2.489 -1.208 11.154 41 2H4 C 4 2H4 C 4 0.854 -0.607 11.027 42 H5 C 4 H5 C 4 4.482 0.239 10.956 43 H6 C 4 H6 C 4 5.210 2.470 10.685 44 2H2* C 4 1H2' C 4 4.873 5.433 11.892 45 1H2* C 4 2H2' C 4 5.794 4.429 11.028 46 1H5* G 5 1H5' G 5 2.214 7.667 10.602 47 2H5* G 5 2H5' G 5 2.191 9.355 11.204 48 H4* G 5 H4' G 5 0.070 8.478 11.745 49 H3* G 5 H3' G 5 1.670 9.186 14.039 50 H1* G 5 H1' G 5 -0.505 6.325 13.869 51 H8 G 5 H8 G 5 3.219 4.932 13.733 52 H1 G 5 H1 G 5 -1.349 0.394 13.827 53 1H2 G 5 1H2 G 5 -3.570 3.102 13.643 54 2H2 G 5 2H2 G 5 -3.390 1.365 13.724 55 2H2* G 5 1H2' G 5 1.110 7.218 15.431 56 1H2* G 5 2H2' G 5 2.411 6.927 14.373 57 1H5* C 6 1H5' C 6 -2.357 7.742 13.444 58 2H5* C 6 2H5' C 6 -3.903 8.603 13.320 59 H4* C 6 H4' C 6 -4.691 7.073 14.760 60 H3* C 6 H3' C 6 -2.988 8.569 16.788 61 H1* C 6 H1' C 6 -4.218 5.026 16.270 62 1H4 C 6 1H4 C 6 1.907 2.331 17.312 63 2H4 C 6 2H4 C 6 0.777 0.998 17.325 64 H5 C 6 H5 C 6 1.210 4.671 17.017 65 H6 C 6 H6 C 6 -0.664 6.123 16.518 66 2H2* C 6 1H2' C 6 -3.983 6.301 18.081 67 1H2* C 6 2H2' C 6 -2.291 6.742 17.774 68 1H5* G 7 1H5' G 7 -6.245 6.041 16.980 69 2H5* G 7 2H5' G 7 -7.780 6.642 17.692 70 H4* G 7 H4' G 7 -7.701 4.272 18.110 71 H3* G 7 H3' G 7 -7.422 5.984 20.475 72 H1* G 7 H1' G 7 -6.065 2.531 19.729 73 H8 G 7 H8 G 7 -3.532 5.246 20.272 74 H1 G 7 H1 G 7 -0.882 -0.612 20.112 75 1H2 G 7 1H2 G 7 -4.185 -1.684 19.744 76 2H2 G 7 2H2 G 7 -2.509 -2.147 19.941 77 2H2* G 7 1H2' G 7 -6.213 3.856 21.624 78 1H2* G 7 2H2' G 7 -5.434 5.129 21.118 79 1H5* T 8 1H5' T 8 -7.941 1.502 20.037 80 2H5* T 8 2H5' T 8 -9.268 1.075 21.073 81 H4* T 8 H4' T 8 -7.783 -0.894 21.012 82 H3* T 8 H3' T 8 -8.722 0.344 23.432 83 1H2* T 8 2H2' T 8 -6.654 1.066 23.876 84 2H2* T 8 1H2' T 8 -6.532 -0.610 24.556 85 H1* T 8 H1' T 8 -5.525 -1.417 22.602 86 H3 T 8 H3 T 8 -1.260 -0.055 23.798 87 1H5M T 8 1H5M T 8 -2.430 4.484 22.936 88 2H5M T 8 2H5M T 8 -4.197 4.493 23.086 89 3H5M T 8 3H5M T 8 -3.169 4.316 24.516 90 H6 T 8 H6 T 8 -5.316 2.247 22.678 91 1H5* G 9 1H5' G 9 -6.290 -3.290 23.259 92 2H5* G 9 2H5' G 9 -7.395 -4.561 23.636 93 H4* G 9 H4' G 9 -5.291 -5.432 24.289 94 H3* G 9 H3' G 9 -7.051 -4.943 26.462 95 H1* G 9 H1' G 9 -3.376 -4.483 26.394 96 H8 G 9 H8 G 9 -4.913 -0.871 26.737 97 H1 G 9 H1 G 9 1.479 -1.123 26.070 98 1H2 G 9 1H2 G 9 0.965 -4.603 25.886 99 2H2 G 9 2H2 G 9 2.138 -3.306 25.890 100 2H2* G 9 1H2' G 9 -5.004 -4.109 28.110 101 1H2* G 9 2H2' G 9 -5.902 -2.959 27.090 102 1H5* G 10 1H5' G 10 -2.857 -6.753 26.335 103 2H5* G 10 2H5' G 10 -3.044 -8.361 27.066 104 H4* G 10 H4' G 10 -0.772 -7.904 27.088 105 H3* G 10 H3' G 10 -2.042 -8.438 29.483 106 H1* G 10 H1' G 10 0.593 -5.701 29.218 107 H8 G 10 H8 G 10 -2.933 -4.052 29.425 108 H1 G 10 H1 G 10 2.049 0.003 29.223 109 1H2 G 10 1H2 G 10 3.950 -2.912 28.761 110 2H2 G 10 2H2 G 10 3.960 -1.169 28.886 111 H3T G 10 HO3 G 10 0.090 -8.753 30.295 112 2H2* G 10 1H2' G 10 -0.694 -6.594 30.978 113 1H2* G 10 2H2' G 10 -2.238 -6.172 30.187 114 1H5* C 1 1H5' C 1 7.512 5.619 31.141 115 2H5* C 1 2H5' C 1 8.845 6.073 30.066 116 H4* C 1 H4' C 1 8.872 3.709 30.467 117 H3* C 1 H3' C 1 9.033 4.742 27.920 118 H1* C 1 H1' C 1 6.908 1.723 28.577 119 1H4 C 1 1H4 C 1 0.456 3.644 28.315 120 2H4 C 1 2H4 C 1 0.474 1.902 28.481 121 H5 C 1 H5 C 1 2.525 5.005 28.354 122 H6 C 1 H6 C 1 4.937 4.895 28.425 123 H5T C 1 H5' C 1 6.889 7.099 29.521 124 2H2* C 1 1H2' C 1 7.369 2.980 26.695 125 1H2* C 1 2H2' C 1 6.762 4.484 27.386 126 1H5* C 2 1H5' C 2 8.465 0.188 28.845 127 2H5* C 2 2H5' C 2 9.908 -0.559 28.220 128 H4* C 2 H4' C 2 8.092 -2.230 28.238 129 H3* C 2 H3' C 2 9.548 -1.755 25.892 130 H1* C 2 H1' C 2 5.962 -2.460 26.178 131 1H4 C 2 1H4 C 2 2.427 3.234 25.163 132 2H4 C 2 2H4 C 2 1.273 1.924 25.316 133 H5 C 2 H5 C 2 4.893 2.851 25.348 134 H6 C 2 H6 C 2 6.576 1.179 25.592 135 2H2* C 2 1H2' C 2 7.327 -1.959 24.287 136 1H2* C 2 2H2' C 2 7.849 -0.407 24.946 137 1H5* A 3 1H5' A 3 5.441 -4.691 26.033 138 2H5* A 3 2H5' A 3 6.511 -6.152 25.760 139 H4* A 3 H4' A 3 4.368 -6.680 25.239 140 H3* A 3 H3' A 3 6.273 -6.569 23.319 141 H1* A 3 H1' A 3 2.837 -5.413 23.055 142 H8 A 3 H8 A 3 5.327 -2.404 22.464 143 1H6 A 3 1H6 A 3 0.425 1.343 22.750 144 2H6 A 3 2H6 A 3 2.169 1.239 22.631 145 H2 A 3 H2 A 3 -1.099 -2.855 22.942 146 2H2* A 3 1H2' A 3 4.478 -5.500 21.347 147 1H2* A 3 2H2' A 3 5.566 -4.563 22.310 148 1H5* C 4 1H5' C 4 2.459 -7.453 23.162 149 2H5* C 4 2H5' C 4 2.148 -9.114 22.723 150 H4* C 4 H4' C 4 0.001 -7.992 22.259 151 H3* C 4 H3' C 4 1.570 -9.109 20.052 152 H1* C 4 H1' C 4 -0.706 -6.233 20.193 153 1H4 C 4 1H4 C 4 2.698 -0.438 19.319 154 2H4 C 4 2H4 C 4 1.015 0.016 19.428 155 H5 C 4 H5 C 4 3.488 -2.770 19.527 156 H6 C 4 H6 C 4 2.792 -5.011 19.793 157 2H2* C 4 1H2' C 4 0.817 -7.237 18.569 158 1H2* C 4 2H2' C 4 2.140 -6.949 19.444 159 1H5* G 5 1H5' G 5 -2.655 -7.525 19.833 160 2H5* G 5 2H5' G 5 -3.643 -8.890 19.223 161 H4* G 5 H4' G 5 -4.863 -6.949 18.672 162 H3* G 5 H3' G 5 -3.949 -8.454 16.387 163 H1* G 5 H1' G 5 -4.074 -4.862 16.550 164 H8 G 5 H8 G 5 -0.230 -5.873 16.720 165 H1 G 5 H1 G 5 -1.342 0.469 16.602 166 1H2 G 5 1H2 G 5 -4.721 -0.462 16.752 167 2H2 G 5 2H2 G 5 -3.572 0.853 16.680 168 2H2* G 5 1H2' G 5 -3.258 -6.526 14.997 169 1H2* G 5 2H2' G 5 -2.036 -7.037 16.066 170 1H5* C 6 1H5' C 6 -6.409 -4.947 16.953 171 2H5* C 6 2H5' C 6 -8.169 -4.758 17.063 172 H4* C 6 H4' C 6 -7.920 -3.059 15.618 173 H3* C 6 H3' C 6 -7.372 -5.270 13.603 174 H1* C 6 H1' C 6 -6.340 -1.663 14.116 175 1H4 C 6 1H4 C 6 0.228 -2.997 13.144 176 2H4 C 6 2H4 C 6 0.074 -1.256 13.123 177 H5 C 6 H5 C 6 -1.693 -4.505 13.423 178 H6 C 6 H6 C 6 -4.067 -4.610 13.900 179 2H2* C 6 1H2' C 6 -6.867 -2.847 12.305 180 1H2* C 6 2H2' C 6 -5.741 -4.182 12.627 181 1H5* G 7 1H5' G 7 -8.574 -1.327 13.382 182 2H5* G 7 2H5' G 7 -10.169 -0.937 12.655 183 H4* G 7 H4' G 7 -8.737 0.954 12.238 184 H3* G 7 H3' G 7 -9.475 -0.619 9.875 185 H1* G 7 H1' G 7 -6.383 1.425 10.637 186 H8 G 7 H8 G 7 -5.870 -2.256 10.121 187 H1 G 7 H1 G 7 -0.330 1.003 10.325 188 1H2 G 7 1H2 G 7 -2.414 3.786 10.657 189 2H2 G 7 2H2 G 7 -0.776 3.197 10.483 190 2H2* G 7 1H2' G 7 -7.249 0.416 8.740 191 1H2* G 7 2H2' G 7 -7.351 -1.071 9.255 192 1H5* T 8 1H5' T 8 -7.318 3.347 10.309 193 2H5* T 8 2H5' T 8 -8.146 4.454 9.257 194 H4* T 8 H4' T 8 -5.799 5.206 9.336 195 H3* T 8 H3' T 8 -7.255 4.721 6.904 196 1H2* T 8 2H2' T 8 -5.979 2.935 6.486 197 2H2* T 8 1H2' T 8 -4.904 4.228 5.808 198 H1* T 8 H1' T 8 -3.636 4.319 7.774 199 H3 T 8 H3 T 8 -0.927 0.739 6.631 200 1H5M T 8 1H5M T 8 -4.511 -2.287 7.471 201 2H5M T 8 2H5M T 8 -5.958 -1.276 7.297 202 3H5M T 8 3H5M T 8 -4.998 -1.733 5.882 203 H6 T 8 H6 T 8 -5.579 1.207 7.698 204 1H5* G 9 1H5' G 9 -3.174 6.285 7.105 205 2H5* G 9 2H5' G 9 -3.338 7.958 6.714 206 H4* G 9 H4' G 9 -1.112 7.448 6.086 207 H3* G 9 H3' G 9 -2.809 8.051 3.892 208 H1* G 9 H1' G 9 -0.079 5.551 4.003 209 H8 G 9 H8 G 9 -3.417 3.491 3.640 210 H1 G 9 H1 G 9 1.937 0.007 4.391 211 1H2 G 9 1H2 G 9 3.526 3.146 4.570 212 2H2 G 9 2H2 G 9 3.735 1.410 4.580 213 2H2* G 9 1H2' G 9 -1.606 6.176 2.268 214 1H2* G 9 2H2' G 9 -3.014 5.764 3.277 215 1H5* G 10 1H5' G 10 1.658 7.101 4.068 216 2H5* G 10 2H5' G 10 2.444 8.515 3.333 217 H4* G 10 H4' G 10 4.030 6.827 3.339 218 H3* G 10 H3' G 10 3.326 7.978 0.925 219 H1* G 10 H1' G 10 3.890 4.224 1.226 220 H8 G 10 H8 G 10 0.062 4.915 0.979 221 H1 G 10 H1 G 10 1.782 -1.271 1.246 222 1H2 G 10 1H2 G 10 5.014 0.013 1.731 223 2H2 G 10 2H2 G 10 4.015 -1.417 1.607 224 H3T G 10 HO3 G 10 5.469 7.436 1.612 225 2H2* G 10 1H2' G 10 3.373 5.685 -0.549 226 1H2* G 10 2H2' G 10 1.861 6.238 0.223 Start of MODEL 3 1 1H5* C 1 1H5' C 1 3.955 -10.476 1.893 2 2H5* C 1 2H5' C 1 2.786 -9.176 2.186 3 H4* C 1 H4' C 1 5.655 -8.843 1.181 4 H3* C 1 H3' C 1 5.024 -9.349 3.783 5 H1* C 1 H1' C 1 5.273 -5.777 2.672 6 1H4 C 1 1H4 C 1 -1.035 -3.440 2.180 7 2H4 C 1 2H4 C 1 0.019 -2.062 1.978 8 H5 C 1 H5 C 1 -0.204 -5.744 2.416 9 H6 C 1 H6 C 1 1.773 -7.100 2.624 10 H5T C 1 H5' C 1 4.051 -9.739 -0.290 11 2H2* C 1 1H2' C 1 4.679 -6.817 4.665 12 1H2* C 1 2H2' C 1 3.340 -7.715 3.945 13 1H5* C 2 1H5' C 2 7.456 -5.481 2.641 14 2H5* C 2 2H5' C 2 8.973 -5.719 3.463 15 H4* C 2 H4' C 2 8.604 -3.325 3.226 16 H3* C 2 H3' C 2 8.850 -4.534 5.823 17 H1* C 2 H1' C 2 6.758 -1.539 4.720 18 1H4 C 2 1H4 C 2 0.507 -4.063 5.512 19 2H4 C 2 2H4 C 2 0.331 -2.358 5.150 20 H5 C 2 H5 C 2 2.733 -5.164 5.650 21 H6 C 2 H6 C 2 5.092 -4.786 5.556 22 2H2* C 2 1H2' C 2 7.500 -2.333 6.843 23 1H2* C 2 2H2' C 2 6.794 -3.937 6.609 24 1H5* A 3 1H5' A 3 7.341 0.748 4.645 25 2H5* A 3 2H5' A 3 8.979 1.457 5.130 26 H4* A 3 H4' A 3 7.329 2.745 5.850 27 H3* A 3 H3' A 3 8.838 1.307 7.631 28 H1* A 3 H1' A 3 5.432 2.494 7.706 29 H8 A 3 H8 A 3 5.521 -1.380 8.482 30 1H6 A 3 1H6 A 3 -0.609 -1.383 7.670 31 2H6 A 3 2H6 A 3 0.821 -2.361 7.925 32 H2 A 3 H2 A 3 0.759 2.867 7.490 33 2H2* A 3 1H2' A 3 6.672 1.634 9.542 34 1H2* A 3 2H2' A 3 7.041 0.193 8.642 35 1H5* C 4 1H5' C 4 6.405 4.346 7.612 36 2H5* C 4 2H5' C 4 7.159 5.841 8.094 37 H4* C 4 H4' C 4 4.728 6.286 8.287 38 H3* C 4 H3' C 4 6.441 6.315 10.666 39 H1* C 4 H1' C 4 2.913 5.398 10.232 40 1H4 C 4 1H4 C 4 2.099 -1.233 11.378 41 2H4 C 4 2H4 C 4 0.494 -0.588 11.133 42 H5 C 4 H5 C 4 4.142 0.152 11.265 43 H6 C 4 H6 C 4 4.949 2.350 10.960 44 2H2* C 4 1H2' C 4 4.577 5.343 12.034 45 1H2* C 4 2H2' C 4 5.532 4.303 11.284 46 1H5* G 5 1H5' G 5 2.042 7.554 10.569 47 2H5* G 5 2H5' G 5 2.123 9.265 11.080 48 H4* G 5 H4' G 5 -0.058 8.614 11.705 49 H3* G 5 H3' G 5 1.700 9.107 14.008 50 H1* G 5 H1' G 5 -0.975 6.636 13.896 51 H8 G 5 H8 G 5 2.668 4.989 13.661 52 H1 G 5 H1 G 5 -2.109 0.674 13.785 53 1H2 G 5 1H2 G 5 -4.216 3.482 13.642 54 2H2 G 5 2H2 G 5 -4.111 1.737 13.690 55 2H2* G 5 1H2' G 5 0.691 7.410 15.428 56 1H2* G 5 2H2' G 5 1.962 6.981 14.392 57 1H5* C 6 1H5' C 6 -2.626 8.254 13.619 58 2H5* C 6 2H5' C 6 -3.521 9.520 14.506 59 H4* C 6 H4' C 6 -4.821 7.409 14.652 60 H3* C 6 H3' C 6 -3.586 8.682 17.008 61 H1* C 6 H1' C 6 -4.568 5.150 16.263 62 1H4 C 6 1H4 C 6 1.618 2.548 17.370 63 2H4 C 6 2H4 C 6 0.506 1.197 17.348 64 H5 C 6 H5 C 6 0.873 4.875 17.109 65 H6 C 6 H6 C 6 -1.031 6.306 16.547 66 2H2* C 6 1H2' C 6 -4.348 6.333 18.183 67 1H2* C 6 2H2' C 6 -2.671 6.862 17.838 68 1H5* G 7 1H5' G 7 -6.716 5.821 17.017 69 2H5* G 7 2H5' G 7 -8.279 6.323 17.745 70 H4* G 7 H4' G 7 -8.040 3.983 18.219 71 H3* G 7 H3' G 7 -7.773 5.747 20.565 72 H1* G 7 H1' G 7 -6.306 2.359 19.782 73 H8 G 7 H8 G 7 -3.875 5.168 20.290 74 H1 G 7 H1 G 7 -1.048 -0.594 20.144 75 1H2 G 7 1H2 G 7 -4.322 -1.753 19.735 76 2H2 G 7 2H2 G 7 -2.639 -2.173 19.960 77 2H2* G 7 1H2' G 7 -6.462 3.659 21.688 78 1H2* G 7 2H2' G 7 -5.751 4.972 21.179 79 1H5* T 8 1H5' T 8 -8.114 1.247 20.160 80 2H5* T 8 2H5' T 8 -9.390 0.757 21.231 81 H4* T 8 H4' T 8 -7.818 -1.139 21.122 82 H3* T 8 H3' T 8 -8.737 0.048 23.576 83 1H2* T 8 2H2' T 8 -6.693 0.854 23.965 84 2H2* T 8 1H2' T 8 -6.483 -0.820 24.628 85 H1* T 8 H1' T 8 -5.493 -1.567 22.641 86 H3 T 8 H3 T 8 -1.261 -0.020 23.717 87 1H5M T 8 1H5M T 8 -4.420 4.394 23.096 88 2H5M T 8 2H5M T 8 -3.379 4.263 24.521 89 3H5M T 8 3H5M T 8 -2.658 4.470 22.938 90 H6 T 8 H6 T 8 -5.450 2.104 22.729 91 1H5* G 9 1H5' G 9 -6.166 -3.481 23.270 92 2H5* G 9 2H5' G 9 -7.201 -4.800 23.681 93 H4* G 9 H4' G 9 -5.038 -5.585 24.233 94 H3* G 9 H3' G 9 -6.732 -5.195 26.478 95 H1* G 9 H1' G 9 -3.082 -4.596 26.278 96 H8 G 9 H8 G 9 -4.742 -1.047 26.714 97 H1 G 9 H1 G 9 1.645 -1.065 25.924 98 1H2 G 9 1H2 G 9 1.239 -4.557 25.679 99 2H2 G 9 2H2 G 9 2.370 -3.224 25.685 100 2H2* G 9 1H2' G 9 -4.656 -4.310 28.060 101 1H2* G 9 2H2' G 9 -5.633 -3.177 27.094 102 1H5* G 10 1H5' G 10 -2.486 -6.845 26.169 103 2H5* G 10 2H5' G 10 -2.599 -8.475 26.866 104 H4* G 10 H4' G 10 -0.342 -7.950 26.821 105 H3* G 10 H3' G 10 -1.510 -8.577 29.247 106 H1* G 10 H1' G 10 1.025 -5.747 28.957 107 H8 G 10 H8 G 10 -2.550 -4.223 29.302 108 H1 G 10 H1 G 10 2.297 -0.007 29.048 109 1H2 G 10 1H2 G 10 4.266 -2.843 28.442 110 2H2 G 10 2H2 G 10 4.221 -1.103 28.600 111 H3T G 10 HO3 G 10 1.223 -7.956 28.720 112 2H2* G 10 1H2' G 10 -0.163 -6.732 30.735 113 1H2* G 10 2H2' G 10 -1.749 -6.339 30.014 114 1H5* C 1 1H5' C 1 8.933 6.242 29.261 115 2H5* C 1 2H5' C 1 7.257 5.890 28.799 116 H4* C 1 H4' C 1 9.328 3.874 29.793 117 H3* C 1 H3' C 1 9.267 4.838 27.250 118 H1* C 1 H1' C 1 7.309 1.738 28.012 119 1H4 C 1 1H4 C 1 0.804 3.486 28.364 120 2H4 C 1 2H4 C 1 0.865 1.742 28.461 121 H5 C 1 H5 C 1 2.832 4.894 28.295 122 H6 C 1 H6 C 1 5.242 4.850 28.163 123 H5T C 1 H5' C 1 7.033 5.008 30.956 124 2H2* C 1 1H2' C 1 7.553 3.068 26.129 125 1H2* C 1 2H2' C 1 6.956 4.527 26.924 126 1H5* C 2 1H5' C 2 8.926 0.237 28.114 127 2H5* C 2 2H5' C 2 10.330 -0.447 27.343 128 H4* C 2 H4' C 2 8.572 -2.169 27.457 129 H3* C 2 H3' C 2 9.791 -1.567 25.004 130 H1* C 2 H1' C 2 6.271 -2.400 25.598 131 1H4 C 2 1H4 C 2 2.502 3.210 25.052 132 2H4 C 2 2H4 C 2 1.397 1.868 25.273 133 H5 C 2 H5 C 2 4.978 2.895 25.012 134 H6 C 2 H6 C 2 6.720 1.271 25.058 135 2H2* C 2 1H2' C 2 7.434 -1.800 23.603 136 1H2* C 2 2H2' C 2 7.974 -0.253 24.261 137 1H5* A 3 1H5' A 3 5.824 -4.639 25.406 138 2H5* A 3 2H5' A 3 6.897 -6.056 24.980 139 H4* A 3 H4' A 3 4.720 -6.617 24.640 140 H3* A 3 H3' A 3 6.442 -6.404 22.559 141 H1* A 3 H1' A 3 2.977 -5.342 22.659 142 H8 A 3 H8 A 3 5.310 -2.245 21.919 143 1H6 A 3 1H6 A 3 0.348 1.345 22.777 144 2H6 A 3 2H6 A 3 2.078 1.299 22.516 145 H2 A 3 H2 A 3 -1.033 -2.906 22.936 146 2H2* A 3 1H2' A 3 4.441 -5.334 20.797 147 1H2* A 3 2H2' A 3 5.598 -4.392 21.680 148 1H5* C 4 1H5' C 4 2.656 -7.392 22.737 149 2H5* C 4 2H5' C 4 2.332 -9.047 22.282 150 H4* C 4 H4' C 4 0.133 -7.943 22.092 151 H3* C 4 H3' C 4 1.459 -8.971 19.686 152 H1* C 4 H1' C 4 -0.815 -6.134 20.176 153 1H4 C 4 1H4 C 4 2.431 -0.299 19.034 154 2H4 C 4 2H4 C 4 0.760 0.129 19.307 155 H5 C 4 H5 C 4 3.260 -2.620 19.105 156 H6 C 4 H6 C 4 2.620 -4.876 19.413 157 2H2* C 4 1H2' C 4 0.532 -7.064 18.347 158 1H2* C 4 2H2' C 4 1.927 -6.798 19.087 159 1H5* G 5 1H5' G 5 -2.815 -7.327 19.860 160 2H5* G 5 2H5' G 5 -3.773 -8.750 19.359 161 H4* G 5 H4' G 5 -5.157 -6.933 18.759 162 H3* G 5 H3' G 5 -4.066 -8.360 16.436 163 H1* G 5 H1' G 5 -4.750 -4.786 16.570 164 H8 G 5 H8 G 5 -0.840 -5.620 16.782 165 H1 G 5 H1 G 5 -2.127 0.688 16.647 166 1H2 G 5 1H2 G 5 -5.489 -0.325 16.793 167 2H2 G 5 2H2 G 5 -4.370 1.019 16.740 168 2H2* G 5 1H2' G 5 -3.876 -6.390 15.024 169 1H2* G 5 2H2' G 5 -2.591 -6.802 16.050 170 1H5* C 6 1H5' C 6 -7.040 -5.093 16.857 171 2H5* C 6 2H5' C 6 -8.516 -5.583 15.979 172 H4* C 6 H4' C 6 -8.314 -3.113 15.825 173 H3* C 6 H3' C 6 -8.081 -4.876 13.473 174 H1* C 6 H1' C 6 -6.781 -1.446 14.203 175 1H4 C 6 1H4 C 6 -0.261 -3.014 13.073 176 2H4 C 6 2H4 C 6 -0.357 -1.266 13.082 177 H5 C 6 H5 C 6 -2.236 -4.446 13.344 178 H6 C 6 H6 C 6 -4.615 -4.472 13.922 179 2H2* C 6 1H2' C 6 -7.312 -2.535 12.288 180 1H2* C 6 2H2' C 6 -6.272 -3.953 12.631 181 1H5* G 7 1H5' G 7 -8.903 -0.713 13.429 182 2H5* G 7 2H5' G 7 -10.473 -0.211 12.717 183 H4* G 7 H4' G 7 -8.933 1.543 12.194 184 H3* G 7 H3' G 7 -9.752 -0.083 9.879 185 H1* G 7 H1' G 7 -6.580 1.827 10.602 186 H8 G 7 H8 G 7 -6.242 -1.883 10.178 187 H1 G 7 H1 G 7 -0.575 1.134 10.307 188 1H2 G 7 1H2 G 7 -2.547 4.000 10.669 189 2H2 G 7 2H2 G 7 -0.936 3.350 10.467 190 2H2* G 7 1H2' G 7 -7.477 0.815 8.725 191 1H2* G 7 2H2' G 7 -7.660 -0.654 9.272 192 1H5* T 8 1H5' T 8 -7.400 3.781 10.183 193 2H5* T 8 2H5' T 8 -8.146 4.897 9.082 194 H4* T 8 H4' T 8 -5.764 5.514 9.174 195 H3* T 8 H3' T 8 -7.188 5.022 6.720 196 1H2* T 8 2H2' T 8 -6.001 3.166 6.390 197 2H2* T 8 1H2' T 8 -4.852 4.386 5.704 198 H1* T 8 H1' T 8 -3.621 4.456 7.697 199 H3 T 8 H3 T 8 -1.106 0.692 6.704 200 1H5M T 8 1H5M T 8 -6.259 -1.011 7.343 201 2H5M T 8 2H5M T 8 -5.329 -1.546 5.936 202 3H5M T 8 3H5M T 8 -4.877 -2.103 7.534 203 H6 T 8 H6 T 8 -5.742 1.457 7.677 204 1H5* G 9 1H5' G 9 -3.055 6.403 7.064 205 2H5* G 9 2H5' G 9 -3.127 8.067 6.611 206 H4* G 9 H4' G 9 -0.897 7.453 6.128 207 H3* G 9 H3' G 9 -2.446 8.049 3.826 208 H1* G 9 H1' G 9 0.178 5.468 4.158 209 H8 G 9 H8 G 9 -3.208 3.503 3.724 210 H1 G 9 H1 G 9 2.072 -0.100 4.504 211 1H2 G 9 1H2 G 9 3.702 3.016 4.753 212 2H2 G 9 2H2 G 9 3.891 1.278 4.747 213 2H2* G 9 1H2' G 9 -1.235 6.084 2.324 214 1H2* G 9 2H2' G 9 -2.706 5.748 3.272 215 1H5* G 10 1H5' G 10 1.986 6.932 4.241 216 2H5* G 10 2H5' G 10 2.840 8.311 3.518 217 H4* G 10 H4' G 10 4.378 6.580 3.625 218 H3* G 10 H3' G 10 3.817 7.721 1.169 219 H1* G 10 H1' G 10 4.270 3.952 1.537 220 H8 G 10 H8 G 10 0.467 4.752 1.167 221 H1 G 10 H1 G 10 2.035 -1.483 1.352 222 1H2 G 10 1H2 G 10 5.286 -0.302 1.882 223 2H2 G 10 2H2 G 10 4.245 -1.698 1.722 224 H3T G 10 HO3 G 10 5.694 5.657 1.761 225 2H2* G 10 1H2' G 10 3.890 5.409 -0.276 226 1H2* G 10 2H2' G 10 2.354 6.008 0.410 Start of MODEL 4 1 1H5* C 1 1H5' C 1 3.502 -10.156 0.863 2 2H5* C 1 2H5' C 1 2.354 -8.919 1.412 3 H4* C 1 H4' C 1 5.141 -8.425 0.257 4 H3* C 1 H3' C 1 4.695 -9.222 2.819 5 H1* C 1 H1' C 1 4.812 -5.552 2.108 6 1H4 C 1 1H4 C 1 -1.530 -3.252 2.159 7 2H4 C 1 2H4 C 1 -0.478 -1.861 2.026 8 H5 C 1 H5 C 1 -0.674 -5.575 2.141 9 H6 C 1 H6 C 1 1.335 -6.922 2.139 10 H5T C 1 H5' C 1 2.543 -8.034 -0.746 11 2H2* C 1 1H2' C 1 4.362 -6.813 4.002 12 1H2* C 1 2H2' C 1 2.995 -7.659 3.271 13 1H5* C 2 1H5' C 2 6.983 -5.216 1.886 14 2H5* C 2 2H5' C 2 8.569 -5.467 2.563 15 H4* C 2 H4' C 2 8.095 -3.047 2.528 16 H3* C 2 H3' C 2 8.911 -4.288 4.904 17 H1* C 2 H1' C 2 6.452 -1.598 4.533 18 1H4 C 2 1H4 C 2 0.195 -4.069 5.368 19 2H4 C 2 2H4 C 2 0.051 -2.330 5.200 20 H5 C 2 H5 C 2 2.408 -5.228 5.253 21 H6 C 2 H6 C 2 4.763 -4.886 5.085 22 2H2* C 2 1H2' C 2 7.190 -2.810 6.453 23 1H2* C 2 2H2' C 2 6.713 -4.369 5.778 24 1H5* A 3 1H5' A 3 7.355 0.506 4.704 25 2H5* A 3 2H5' A 3 9.069 1.052 5.036 26 H4* A 3 H4' A 3 7.634 2.750 5.495 27 H3* A 3 H3' A 3 9.039 1.553 7.473 28 H1* A 3 H1' A 3 5.581 2.640 7.611 29 H8 A 3 H8 A 3 5.792 -1.255 8.227 30 1H6 A 3 1H6 A 3 -0.374 -1.375 7.775 31 2H6 A 3 2H6 A 3 1.087 -2.326 7.944 32 H2 A 3 H2 A 3 0.893 2.905 7.571 33 2H2* A 3 1H2' A 3 6.893 1.750 9.370 34 1H2* A 3 2H2' A 3 7.256 0.347 8.422 35 1H5* C 4 1H5' C 4 6.471 4.515 7.537 36 2H5* C 4 2H5' C 4 7.166 6.049 7.997 37 H4* C 4 H4' C 4 4.746 6.377 8.356 38 H3* C 4 H3' C 4 6.570 6.406 10.651 39 H1* C 4 H1' C 4 3.066 5.364 10.361 40 1H4 C 4 1H4 C 4 2.456 -1.317 11.288 41 2H4 C 4 2H4 C 4 0.829 -0.702 11.124 42 H5 C 4 H5 C 4 4.462 0.123 11.141 43 H6 C 4 H6 C 4 5.206 2.352 10.869 44 2H2* C 4 1H2' C 4 4.816 5.308 12.065 45 1H2* C 4 2H2' C 4 5.770 4.314 11.231 46 1H5* G 5 1H5' G 5 2.158 7.523 10.655 47 2H5* G 5 2H5' G 5 2.106 9.205 11.267 48 H4* G 5 H4' G 5 -0.028 8.302 11.734 49 H3* G 5 H3' G 5 1.505 9.054 14.056 50 H1* G 5 H1' G 5 -0.647 6.180 13.881 51 H8 G 5 H8 G 5 3.080 4.797 13.833 52 H1 G 5 H1 G 5 -1.494 0.250 13.892 53 1H2 G 5 1H2 G 5 -3.707 2.962 13.704 54 2H2 G 5 2H2 G 5 -3.531 1.226 13.795 55 2H2* G 5 1H2' G 5 0.934 7.104 15.460 56 1H2* G 5 2H2' G 5 2.257 6.803 14.429 57 1H5* C 6 1H5' C 6 -2.521 7.552 13.425 58 2H5* C 6 2H5' C 6 -4.068 8.403 13.261 59 H4* C 6 H4' C 6 -4.876 6.908 14.727 60 H3* C 6 H3' C 6 -3.192 8.448 16.731 61 H1* C 6 H1' C 6 -4.400 4.881 16.301 62 1H4 C 6 1H4 C 6 1.759 2.283 17.424 63 2H4 C 6 2H4 C 6 0.643 0.935 17.431 64 H5 C 6 H5 C 6 1.033 4.596 17.095 65 H6 C 6 H6 C 6 -0.857 6.019 16.534 66 2H2* C 6 1H2' C 6 -4.183 6.200 18.070 67 1H2* C 6 2H2' C 6 -2.493 6.649 17.768 68 1H5* G 7 1H5' G 7 -6.439 5.902 16.986 69 2H5* G 7 2H5' G 7 -7.981 6.510 17.680 70 H4* G 7 H4' G 7 -7.887 4.148 18.147 71 H3* G 7 H3' G 7 -7.631 5.893 20.489 72 H1* G 7 H1' G 7 -6.213 2.457 19.791 73 H8 G 7 H8 G 7 -3.733 5.229 20.299 74 H1 G 7 H1 G 7 -0.996 -0.584 20.210 75 1H2 G 7 1H2 G 7 -4.273 -1.706 19.779 76 2H2 G 7 2H2 G 7 -2.594 -2.143 20.011 77 2H2* G 7 1H2' G 7 -6.383 3.802 21.668 78 1H2* G 7 2H2' G 7 -5.630 5.085 21.147 79 1H5* T 8 1H5' T 8 -8.064 1.380 20.113 80 2H5* T 8 2H5' T 8 -9.368 0.931 21.169 81 H4* T 8 H4' T 8 -7.833 -0.999 21.108 82 H3* T 8 H3' T 8 -8.770 0.227 23.536 83 1H2* T 8 2H2' T 8 -6.719 1.007 23.944 84 2H2* T 8 1H2' T 8 -6.542 -0.661 24.631 85 H1* T 8 H1' T 8 -5.537 -1.450 22.668 86 H3 T 8 H3 T 8 -1.299 0.032 23.800 87 1H5M T 8 1H5M T 8 -4.370 4.500 23.117 88 2H5M T 8 2H5M T 8 -3.338 4.351 24.547 89 3H5M T 8 3H5M T 8 -2.605 4.540 22.968 90 H6 T 8 H6 T 8 -5.432 2.220 22.720 91 1H5* G 9 1H5' G 9 -6.246 -3.344 23.318 92 2H5* G 9 2H5' G 9 -7.304 -4.644 23.729 93 H4* G 9 H4' G 9 -5.160 -5.446 24.333 94 H3* G 9 H3' G 9 -6.892 -5.007 26.539 95 H1* G 9 H1' G 9 -3.233 -4.448 26.402 96 H8 G 9 H8 G 9 -4.860 -0.878 26.769 97 H1 G 9 H1 G 9 1.534 -0.973 26.052 98 1H2 G 9 1H2 G 9 1.095 -4.463 25.845 99 2H2 G 9 2H2 G 9 2.240 -3.141 25.849 100 2H2* G 9 1H2' G 9 -4.838 -4.121 28.149 101 1H2* G 9 2H2' G 9 -5.785 -2.993 27.149 102 1H5* G 10 1H5' G 10 -2.654 -6.702 26.331 103 2H5* G 10 2H5' G 10 -2.788 -8.317 27.057 104 H4* G 10 H4' G 10 -0.530 -7.803 27.042 105 H3* G 10 H3' G 10 -1.746 -8.379 29.458 106 H1* G 10 H1' G 10 0.818 -5.579 29.163 107 H8 G 10 H8 G 10 -2.744 -4.014 29.425 108 H1 G 10 H1 G 10 2.144 0.154 29.173 109 1H2 G 10 1H2 G 10 4.096 -2.709 28.637 110 2H2 G 10 2H2 G 10 4.065 -0.966 28.770 111 H3T G 10 HO3 G 10 0.330 -9.125 28.756 112 2H2* G 10 1H2' G 10 -0.416 -6.513 30.938 113 1H2* G 10 2H2' G 10 -1.984 -6.122 30.177 114 1H5* C 1 1H5' C 1 8.768 6.397 29.359 115 2H5* C 1 2H5' C 1 7.099 6.040 28.872 116 H4* C 1 H4' C 1 9.137 4.042 29.966 117 H3* C 1 H3' C 1 9.141 4.936 27.397 118 H1* C 1 H1' C 1 7.147 1.869 28.195 119 1H4 C 1 1H4 C 1 0.646 3.660 28.375 120 2H4 C 1 2H4 C 1 0.697 1.918 28.518 121 H5 C 1 H5 C 1 2.683 5.055 28.299 122 H6 C 1 H6 C 1 5.095 4.995 28.216 123 H5T C 1 H5' C 1 6.824 5.222 31.046 124 2H2* C 1 1H2' C 1 7.442 3.147 26.285 125 1H2* C 1 2H2' C 1 6.836 4.630 27.026 126 1H5* C 2 1H5' C 2 8.746 0.358 28.374 127 2H5* C 2 2H5' C 2 10.163 -0.355 27.653 128 H4* C 2 H4' C 2 8.389 -2.062 27.764 129 H3* C 2 H3' C 2 9.675 -1.523 25.331 130 H1* C 2 H1' C 2 6.133 -2.322 25.852 131 1H4 C 2 1H4 C 2 2.418 3.299 25.104 132 2H4 C 2 2H4 C 2 1.300 1.970 25.334 133 H5 C 2 H5 C 2 4.893 2.964 25.114 134 H6 C 2 H6 C 2 6.622 1.332 25.238 135 2H2* C 2 1H2' C 2 7.353 -1.777 23.876 136 1H2* C 2 2H2' C 2 7.885 -0.218 24.511 137 1H5* A 3 1H5' A 3 5.675 -4.564 25.708 138 2H5* A 3 2H5' A 3 6.758 -5.994 25.350 139 H4* A 3 H4' A 3 4.594 -6.564 24.963 140 H3* A 3 H3' A 3 6.374 -6.397 22.927 141 H1* A 3 H1' A 3 2.902 -5.332 22.902 142 H8 A 3 H8 A 3 5.264 -2.257 22.159 143 1H6 A 3 1H6 A 3 0.306 1.363 22.858 144 2H6 A 3 2H6 A 3 2.042 1.301 22.639 145 H2 A 3 H2 A 3 -1.107 -2.879 23.019 146 2H2* A 3 1H2' A 3 4.423 -5.370 21.084 147 1H2* A 3 2H2' A 3 5.552 -4.408 21.978 148 1H5* C 4 1H5' C 4 2.584 -7.381 23.021 149 2H5* C 4 2H5' C 4 2.289 -9.048 22.595 150 H4* C 4 H4' C 4 0.087 -7.979 22.297 151 H3* C 4 H3' C 4 1.530 -9.033 19.970 152 H1* C 4 H1' C 4 -0.810 -6.220 20.313 153 1H4 C 4 1H4 C 4 2.436 -0.377 19.184 154 2H4 C 4 2H4 C 4 0.759 0.056 19.399 155 H5 C 4 H5 C 4 3.268 -2.687 19.320 156 H6 C 4 H6 C 4 2.632 -4.938 19.643 157 2H2* C 4 1H2' C 4 0.604 -7.180 18.559 158 1H2* C 4 2H2' C 4 1.980 -6.876 19.331 159 1H5* G 5 1H5' G 5 -2.742 -7.502 19.895 160 2H5* G 5 2H5' G 5 -3.662 -8.954 19.398 161 H4* G 5 H4' G 5 -5.046 -7.186 18.692 162 H3* G 5 H3' G 5 -3.813 -8.599 16.421 163 H1* G 5 H1' G 5 -4.580 -5.035 16.524 164 H8 G 5 H8 G 5 -0.665 -5.822 16.845 165 H1 G 5 H1 G 5 -2.024 0.462 16.699 166 1H2 G 5 1H2 G 5 -5.375 -0.578 16.845 167 2H2 G 5 2H2 G 5 -4.266 0.774 16.803 168 2H2* G 5 1H2' G 5 -3.640 -6.626 15.007 169 1H2* G 5 2H2' G 5 -2.380 -7.020 16.067 170 1H5* C 6 1H5' C 6 -6.860 -5.448 16.751 171 2H5* C 6 2H5' C 6 -8.305 -5.944 15.826 172 H4* C 6 H4' C 6 -8.133 -3.471 15.733 173 H3* C 6 H3' C 6 -7.819 -5.173 13.341 174 H1* C 6 H1' C 6 -6.590 -1.742 14.192 175 1H4 C 6 1H4 C 6 -0.022 -3.159 13.182 176 2H4 C 6 2H4 C 6 -0.146 -1.416 13.208 177 H5 C 6 H5 C 6 -1.979 -4.642 13.383 178 H6 C 6 H6 C 6 -4.368 -4.721 13.880 179 2H2* C 6 1H2' C 6 -7.063 -2.794 12.233 180 1H2* C 6 2H2' C 6 -6.005 -4.201 12.570 181 1H5* G 7 1H5' G 7 -8.710 -1.026 13.416 182 2H5* G 7 2H5' G 7 -10.270 -0.525 12.682 183 H4* G 7 H4' G 7 -8.737 1.264 12.247 184 H3* G 7 H3' G 7 -9.514 -0.310 9.882 185 H1* G 7 H1' G 7 -6.382 1.638 10.691 186 H8 G 7 H8 G 7 -5.961 -2.050 10.170 187 H1 G 7 H1 G 7 -0.352 1.071 10.399 188 1H2 G 7 1H2 G 7 -2.387 3.901 10.713 189 2H2 G 7 2H2 G 7 -0.760 3.283 10.541 190 2H2* G 7 1H2' G 7 -7.242 0.662 8.778 191 1H2* G 7 2H2' G 7 -7.401 -0.825 9.284 192 1H5* T 8 1H5' T 8 -7.243 3.579 10.324 193 2H5* T 8 2H5' T 8 -8.024 4.711 9.263 194 H4* T 8 H4' T 8 -5.656 5.388 9.367 195 H3* T 8 H3' T 8 -7.101 4.941 6.922 196 1H2* T 8 2H2' T 8 -5.873 3.122 6.514 197 2H2* T 8 1H2' T 8 -4.755 4.384 5.848 198 H1* T 8 H1' T 8 -3.505 4.437 7.828 199 H3 T 8 H3 T 8 -0.891 0.774 6.719 200 1H5M T 8 1H5M T 8 -4.575 -2.142 7.531 201 2H5M T 8 2H5M T 8 -5.987 -1.085 7.349 202 3H5M T 8 3H5M T 8 -5.036 -1.574 5.939 203 H6 T 8 H6 T 8 -5.540 1.383 7.734 204 1H5* G 9 1H5' G 9 -2.981 6.391 7.170 205 2H5* G 9 2H5' G 9 -3.096 8.068 6.779 206 H4* G 9 H4' G 9 -0.876 7.503 6.179 207 H3* G 9 H3' G 9 -2.530 8.147 3.963 208 H1* G 9 H1' G 9 0.139 5.582 4.111 209 H8 G 9 H8 G 9 -3.246 3.602 3.714 210 H1 G 9 H1 G 9 2.017 -0.013 4.505 211 1H2 G 9 1H2 G 9 3.679 3.087 4.705 212 2H2 G 9 2H2 G 9 3.846 1.347 4.714 213 2H2* G 9 1H2' G 9 -1.352 6.241 2.356 214 1H2* G 9 2H2' G 9 -2.782 5.863 3.347 215 1H5* G 10 1H5' G 10 1.909 7.094 4.194 216 2H5* G 10 2H5' G 10 2.732 8.496 3.477 217 H4* G 10 H4' G 10 4.289 6.779 3.497 218 H3* G 10 H3' G 10 3.642 7.949 1.078 219 H1* G 10 H1' G 10 4.115 4.179 1.377 220 H8 G 10 H8 G 10 0.306 4.964 1.085 221 H1 G 10 H1 G 10 1.880 -1.262 1.358 222 1H2 G 10 1H2 G 10 5.134 -0.054 1.882 223 2H2 G 10 2H2 G 10 4.104 -1.459 1.745 224 H3T G 10 HO3 G 10 5.540 5.878 1.572 225 2H2* G 10 1H2' G 10 3.665 5.657 -0.399 226 1H2* G 10 2H2' G 10 2.154 6.243 0.348 Start of MODEL 5 1 1H5* C 1 1H5' C 1 3.538 -10.148 0.873 2 2H5* C 1 2H5' C 1 2.388 -8.913 1.421 3 H4* C 1 H4' C 1 5.176 -8.415 0.270 4 H3* C 1 H3' C 1 4.727 -9.213 2.831 5 H1* C 1 H1' C 1 4.839 -5.542 2.121 6 1H4 C 1 1H4 C 1 -1.507 -3.253 2.160 7 2H4 C 1 2H4 C 1 -0.457 -1.860 2.029 8 H5 C 1 H5 C 1 -0.647 -5.575 2.144 9 H6 C 1 H6 C 1 1.364 -6.917 2.146 10 H5T C 1 H5' C 1 2.578 -8.028 -0.737 11 2H2* C 1 1H2' C 1 4.388 -6.805 4.013 12 1H2* C 1 2H2' C 1 3.024 -7.652 3.280 13 1H5* C 2 1H5' C 2 7.011 -5.203 1.903 14 2H5* C 2 2H5' C 2 8.596 -5.453 2.582 15 H4* C 2 H4' C 2 8.119 -3.033 2.548 16 H3* C 2 H3' C 2 8.931 -4.274 4.924 17 H1* C 2 H1' C 2 6.470 -1.588 4.551 18 1H4 C 2 1H4 C 2 0.214 -4.067 5.371 19 2H4 C 2 2H4 C 2 0.068 -2.328 5.202 20 H5 C 2 H5 C 2 2.429 -5.223 5.260 21 H6 C 2 H6 C 2 4.784 -4.877 5.098 22 2H2* C 2 1H2' C 2 7.205 -2.800 6.471 23 1H2* C 2 2H2' C 2 6.732 -4.360 5.794 24 1H5* A 3 1H5' A 3 7.370 0.518 4.722 25 2H5* A 3 2H5' A 3 9.083 1.066 5.059 26 H4* A 3 H4' A 3 7.647 2.763 5.513 27 H3* A 3 H3' A 3 9.047 1.568 7.496 28 H1* A 3 H1' A 3 5.587 2.651 7.626 29 H8 A 3 H8 A 3 5.801 -1.244 8.238 30 1H6 A 3 1H6 A 3 -0.364 -1.370 7.778 31 2H6 A 3 2H6 A 3 1.097 -2.320 7.949 32 H2 A 3 H2 A 3 0.900 2.911 7.573 33 2H2* A 3 1H2' A 3 6.896 1.761 9.387 34 1H2* A 3 2H2' A 3 7.263 0.359 8.439 35 1H5* C 4 1H5' C 4 6.475 4.527 7.556 36 2H5* C 4 2H5' C 4 7.167 6.062 8.019 37 H4* C 4 H4' C 4 4.747 6.388 8.374 38 H3* C 4 H3' C 4 6.564 6.414 10.674 39 H1* C 4 H1' C 4 3.062 5.370 10.372 40 1H4 C 4 1H4 C 4 2.456 -1.313 11.290 41 2H4 C 4 2H4 C 4 0.828 -0.699 11.122 42 H5 C 4 H5 C 4 4.461 0.128 11.149 43 H6 C 4 H6 C 4 5.204 2.359 10.882 44 2H2* C 4 1H2' C 4 4.807 5.312 12.081 45 1H2* C 4 2H2' C 4 5.764 4.321 11.249 46 1H5* G 5 1H5' G 5 2.150 7.526 10.670 47 2H5* G 5 2H5' G 5 2.097 9.207 11.283 48 H4* G 5 H4' G 5 -0.038 8.306 11.747 49 H3* G 5 H3' G 5 1.491 9.052 14.073 50 H1* G 5 H1' G 5 -0.661 6.180 13.889 51 H8 G 5 H8 G 5 3.065 4.795 13.842 52 H1 G 5 H1 G 5 -1.512 0.250 13.888 53 1H2 G 5 1H2 G 5 -3.723 2.966 13.708 54 2H2 G 5 2H2 G 5 -3.548 1.229 13.794 55 2H2* G 5 1H2' G 5 0.919 7.100 15.471 56 1H2* G 5 2H2' G 5 2.243 6.800 14.440 57 1H5* C 6 1H5' C 6 -2.536 7.552 13.440 58 2H5* C 6 2H5' C 6 -4.082 8.405 13.276 59 H4* C 6 H4' C 6 -4.893 6.912 14.743 60 H3* C 6 H3' C 6 -3.202 8.444 16.746 61 H1* C 6 H1' C 6 -4.418 4.880 16.313 62 1H4 C 6 1H4 C 6 1.738 2.269 17.415 63 2H4 C 6 2H4 C 6 0.620 0.923 17.423 64 H5 C 6 H5 C 6 1.015 4.584 17.096 65 H6 C 6 H6 C 6 -0.873 6.012 16.541 66 2H2* C 6 1H2' C 6 -4.197 6.195 18.083 67 1H2* C 6 2H2' C 6 -2.506 6.641 17.781 68 1H5* G 7 1H5' G 7 -6.454 5.904 17.006 69 2H5* G 7 2H5' G 7 -7.993 6.516 17.703 70 H4* G 7 H4' G 7 -7.907 4.155 18.170 71 H3* G 7 H3' G 7 -7.639 5.898 20.511 72 H1* G 7 H1' G 7 -6.233 2.458 19.811 73 H8 G 7 H8 G 7 -3.743 5.222 20.311 74 H1 G 7 H1 G 7 -1.021 -0.599 20.200 75 1H2 G 7 1H2 G 7 -4.302 -1.713 19.785 76 2H2 G 7 2H2 G 7 -2.624 -2.154 20.008 77 2H2* G 7 1H2' G 7 -6.394 3.805 21.688 78 1H2* G 7 2H2' G 7 -5.638 5.084 21.163 79 1H5* T 8 1H5' T 8 -8.087 1.386 20.139 80 2H5* T 8 2H5' T 8 -9.388 0.941 21.201 81 H4* T 8 H4' T 8 -7.858 -0.993 21.135 82 H3* T 8 H3' T 8 -8.782 0.236 23.568 83 1H2* T 8 2H2' T 8 -6.727 1.010 23.966 84 2H2* T 8 1H2' T 8 -6.552 -0.658 24.652 85 H1* T 8 H1' T 8 -5.557 -1.449 22.685 86 H3 T 8 H3 T 8 -1.310 0.024 23.796 87 1H5M T 8 1H5M T 8 -2.611 4.535 22.973 88 2H5M T 8 2H5M T 8 -4.375 4.498 23.134 89 3H5M T 8 3H5M T 8 -3.334 4.346 24.557 90 H6 T 8 H6 T 8 -5.443 2.220 22.736 91 1H5* G 9 1H5' G 9 -6.271 -3.342 23.333 92 2H5* G 9 2H5' G 9 -7.331 -4.639 23.749 93 H4* G 9 H4' G 9 -5.186 -5.449 24.338 94 H3* G 9 H3' G 9 -6.901 -5.008 26.557 95 H1* G 9 H1' G 9 -3.242 -4.459 26.395 96 H8 G 9 H8 G 9 -4.856 -0.885 26.776 97 H1 G 9 H1 G 9 1.535 -1.000 26.038 98 1H2 G 9 1H2 G 9 1.085 -4.488 25.830 99 2H2 G 9 2H2 G 9 2.234 -3.170 25.834 100 2H2* G 9 1H2' G 9 -4.834 -4.128 28.154 101 1H2* G 9 2H2' G 9 -5.784 -2.997 27.160 102 1H5* G 10 1H5' G 10 -2.669 -6.715 26.318 103 2H5* G 10 2H5' G 10 -2.804 -8.331 27.044 104 H4* G 10 H4' G 10 -0.542 -7.824 27.011 105 H3* G 10 H3' G 10 -1.740 -8.403 29.434 106 H1* G 10 H1' G 10 0.826 -5.602 29.125 107 H8 G 10 H8 G 10 -2.735 -4.038 29.417 108 H1 G 10 H1 G 10 2.155 0.127 29.162 109 1H2 G 10 1H2 G 10 4.105 -2.737 28.620 110 2H2 G 10 2H2 G 10 4.077 -0.995 28.758 111 H3T G 10 HO3 G 10 1.004 -7.818 28.922 112 2H2* G 10 1H2' G 10 -0.388 -6.549 30.907 113 1H2* G 10 2H2' G 10 -1.963 -6.152 30.165 114 1H5* C 1 1H5' C 1 7.786 5.757 30.723 115 2H5* C 1 2H5' C 1 9.061 6.243 29.595 116 H4* C 1 H4' C 1 9.160 3.883 29.965 117 H3* C 1 H3' C 1 9.138 4.915 27.412 118 H1* C 1 H1' C 1 7.125 1.849 28.207 119 1H4 C 1 1H4 C 1 0.634 3.651 28.354 120 2H4 C 1 2H4 C 1 0.685 1.910 28.511 121 H5 C 1 H5 C 1 2.673 5.045 28.271 122 H6 C 1 H6 C 1 5.085 4.982 28.192 123 H5T C 1 H5' C 1 7.509 6.380 27.973 124 2H2* C 1 1H2' C 1 7.440 3.110 26.299 125 1H2* C 1 2H2' C 1 6.837 4.599 27.021 126 1H5* C 2 1H5' C 2 8.733 0.354 28.361 127 2H5* C 2 2H5' C 2 10.149 -0.361 27.645 128 H4* C 2 H4' C 2 8.378 -2.072 27.770 129 H3* C 2 H3' C 2 9.661 -1.553 25.332 130 H1* C 2 H1' C 2 6.118 -2.344 25.860 131 1H4 C 2 1H4 C 2 2.421 3.288 25.094 132 2H4 C 2 2H4 C 2 1.299 1.961 25.321 133 H5 C 2 H5 C 2 4.894 2.947 25.111 134 H6 C 2 H6 C 2 6.619 1.307 25.245 135 2H2* C 2 1H2' C 2 7.338 -1.812 23.881 136 1H2* C 2 2H2' C 2 7.871 -0.249 24.505 137 1H5* A 3 1H5' A 3 5.649 -4.584 25.721 138 2H5* A 3 2H5' A 3 6.725 -6.020 25.364 139 H4* A 3 H4' A 3 4.557 -6.575 24.970 140 H3* A 3 H3' A 3 6.345 -6.418 22.939 141 H1* A 3 H1' A 3 2.878 -5.343 22.909 142 H8 A 3 H8 A 3 5.249 -2.276 22.159 143 1H6 A 3 1H6 A 3 0.301 1.360 22.845 144 2H6 A 3 2H6 A 3 2.037 1.293 22.629 145 H2 A 3 H2 A 3 -1.124 -2.878 23.012 146 2H2* A 3 1H2' A 3 4.399 -5.390 21.091 147 1H2* A 3 2H2' A 3 5.531 -4.430 21.983 148 1H5* C 4 1H5' C 4 2.553 -7.390 23.031 149 2H5* C 4 2H5' C 4 2.255 -9.058 22.609 150 H4* C 4 H4' C 4 0.056 -7.985 22.306 151 H3* C 4 H3' C 4 1.499 -9.047 19.982 152 H1* C 4 H1' C 4 -0.835 -6.228 20.318 153 1H4 C 4 1H4 C 4 2.421 -0.394 19.179 154 2H4 C 4 2H4 C 4 0.744 0.042 19.391 155 H5 C 4 H5 C 4 3.250 -2.705 19.323 156 H6 C 4 H6 C 4 2.609 -4.954 19.650 157 2H2* C 4 1H2' C 4 0.578 -7.195 18.567 158 1H2* C 4 2H2' C 4 1.954 -6.892 19.340 159 1H5* G 5 1H5' G 5 -2.769 -7.508 19.899 160 2H5* G 5 2H5' G 5 -3.692 -8.958 19.403 161 H4* G 5 H4' G 5 -5.070 -7.187 18.694 162 H3* G 5 H3' G 5 -3.838 -8.605 16.425 163 H1* G 5 H1' G 5 -4.597 -5.039 16.525 164 H8 G 5 H8 G 5 -0.684 -5.836 16.848 165 H1 G 5 H1 G 5 -2.028 0.451 16.696 166 1H2 G 5 1H2 G 5 -5.381 -0.582 16.848 167 2H2 G 5 2H2 G 5 -4.269 0.768 16.803 168 2H2* G 5 1H2' G 5 -3.661 -6.633 15.009 169 1H2* G 5 2H2' G 5 -2.402 -7.031 16.070 170 1H5* C 6 1H5' C 6 -6.878 -5.446 16.749 171 2H5* C 6 2H5' C 6 -8.324 -5.940 15.823 172 H4* C 6 H4' C 6 -8.146 -3.468 15.728 173 H3* C 6 H3' C 6 -7.831 -5.172 13.337 174 H1* C 6 H1' C 6 -6.598 -1.743 14.189 175 1H4 C 6 1H4 C 6 -0.032 -3.172 13.185 176 2H4 C 6 2H4 C 6 -0.153 -1.428 13.210 177 H5 C 6 H5 C 6 -1.992 -4.652 13.387 178 H6 C 6 H6 C 6 -4.382 -4.726 13.881 179 2H2* C 6 1H2' C 6 -7.071 -2.794 12.229 180 1H2* C 6 2H2' C 6 -6.015 -4.202 12.568 181 1H5* G 7 1H5' G 7 -8.717 -1.025 13.409 182 2H5* G 7 2H5' G 7 -10.275 -0.523 12.674 183 H4* G 7 H4' G 7 -8.739 1.265 12.239 184 H3* G 7 H3' G 7 -9.512 -0.311 9.873 185 H1* G 7 H1' G 7 -6.381 1.636 10.689 186 H8 G 7 H8 G 7 -5.962 -2.052 10.169 187 H1 G 7 H1 G 7 -0.352 1.067 10.402 188 1H2 G 7 1H2 G 7 -2.386 3.898 10.714 189 2H2 G 7 2H2 G 7 -0.759 3.279 10.543 190 2H2* G 7 1H2' G 7 -7.238 0.661 8.773 191 1H2* G 7 2H2' G 7 -7.399 -0.826 9.279 192 1H5* T 8 1H5' T 8 -7.242 3.577 10.319 193 2H5* T 8 2H5' T 8 -8.021 4.709 9.257 194 H4* T 8 H4' T 8 -5.653 5.386 9.365 195 H3* T 8 H3' T 8 -7.095 4.939 6.918 196 1H2* T 8 2H2' T 8 -5.866 3.120 6.512 197 2H2* T 8 1H2' T 8 -4.748 4.383 5.847 198 H1* T 8 H1' T 8 -3.501 4.436 7.829 199 H3 T 8 H3 T 8 -0.884 0.775 6.722 200 1H5M T 8 1H5M T 8 -5.979 -1.088 7.351 201 2H5M T 8 2H5M T 8 -5.028 -1.575 5.939 202 3H5M T 8 3H5M T 8 -4.566 -2.143 7.531 203 H6 T 8 H6 T 8 -5.534 1.381 7.733 204 1H5* G 9 1H5' G 9 -2.974 6.390 7.170 205 2H5* G 9 2H5' G 9 -3.091 8.067 6.780 206 H4* G 9 H4' G 9 -0.870 7.505 6.179 207 H3* G 9 H3' G 9 -2.524 8.146 3.963 208 H1* G 9 H1' G 9 0.148 5.584 4.112 209 H8 G 9 H8 G 9 -3.235 3.601 3.716 210 H1 G 9 H1 G 9 2.031 -0.008 4.511 211 1H2 G 9 1H2 G 9 3.690 3.094 4.709 212 2H2 G 9 2H2 G 9 3.859 1.353 4.721 213 2H2* G 9 1H2' G 9 -1.343 6.242 2.357 214 1H2* G 9 2H2' G 9 -2.773 5.862 3.348 215 1H5* G 10 1H5' G 10 1.916 7.099 4.195 216 2H5* G 10 2H5' G 10 2.737 8.502 3.479 217 H4* G 10 H4' G 10 4.297 6.788 3.500 218 H3* G 10 H3' G 10 3.648 7.956 1.080 219 H1* G 10 H1' G 10 4.126 4.187 1.380 220 H8 G 10 H8 G 10 0.317 4.967 1.087 221 H1 G 10 H1 G 10 1.899 -1.257 1.365 222 1H2 G 10 1H2 G 10 5.151 -0.043 1.890 223 2H2 G 10 2H2 G 10 4.123 -1.451 1.754 224 H3T G 10 HO3 G 10 5.549 5.888 1.574 225 2H2* G 10 1H2' G 10 3.675 5.663 -0.397 226 1H2* G 10 2H2' G 10 2.163 6.248 0.350 Start of MODEL 6 1 1H5* C 1 1H5' C 1 2.475 -8.951 1.431 2 2H5* C 1 2H5' C 1 2.826 -8.860 -0.304 3 H4* C 1 H4' C 1 5.223 -8.367 0.230 4 H3* C 1 H3' C 1 4.786 -9.160 2.807 5 H1* C 1 H1' C 1 4.882 -5.492 2.081 6 1H4 C 1 1H4 C 1 -1.478 -3.241 2.117 7 2H4 C 1 2H4 C 1 -0.436 -1.841 1.997 8 H5 C 1 H5 C 1 -0.604 -5.558 2.086 9 H6 C 1 H6 C 1 1.416 -6.889 2.084 10 H5T C 1 H5' C 1 4.044 -10.625 1.548 11 2H2* C 1 1H2' C 1 4.433 -6.755 3.974 12 1H2* C 1 2H2' C 1 3.071 -7.605 3.239 13 1H5* C 2 1H5' C 2 7.052 -5.141 1.869 14 2H5* C 2 2H5' C 2 8.636 -5.385 2.551 15 H4* C 2 H4' C 2 8.148 -2.968 2.522 16 H3* C 2 H3' C 2 8.959 -4.212 4.898 17 H1* C 2 H1' C 2 6.489 -1.534 4.523 18 1H4 C 2 1H4 C 2 0.241 -4.037 5.325 19 2H4 C 2 2H4 C 2 0.088 -2.299 5.161 20 H5 C 2 H5 C 2 2.460 -5.185 5.213 21 H6 C 2 H6 C 2 4.813 -4.830 5.059 22 2H2* C 2 1H2' C 2 7.224 -2.746 6.443 23 1H2* C 2 2H2' C 2 6.758 -4.307 5.761 24 1H5* A 3 1H5' A 3 7.381 0.574 4.705 25 2H5* A 3 2H5' A 3 9.090 1.129 5.048 26 H4* A 3 H4' A 3 7.644 2.817 5.506 27 H3* A 3 H3' A 3 9.047 1.621 7.486 28 H1* A 3 H1' A 3 5.584 2.690 7.612 29 H8 A 3 H8 A 3 5.810 -1.206 8.216 30 1H6 A 3 1H6 A 3 -0.354 -1.353 7.735 31 2H6 A 3 2H6 A 3 1.111 -2.298 7.907 32 H2 A 3 H2 A 3 0.895 2.933 7.554 33 2H2* A 3 1H2' A 3 6.892 1.800 9.374 34 1H2* A 3 2H2' A 3 7.267 0.402 8.423 35 1H5* C 4 1H5' C 4 6.463 4.570 7.549 36 2H5* C 4 2H5' C 4 7.147 6.107 8.017 37 H4* C 4 H4' C 4 4.723 6.418 8.366 38 H3* C 4 H3' C 4 6.535 6.452 10.671 39 H1* C 4 H1' C 4 3.039 5.387 10.359 40 1H4 C 4 1H4 C 4 2.473 -1.299 11.278 41 2H4 C 4 2H4 C 4 0.842 -0.696 11.104 42 H5 C 4 H5 C 4 4.469 0.153 11.136 43 H6 C 4 H6 C 4 5.199 2.389 10.869 44 2H2* C 4 1H2' C 4 4.782 5.336 12.071 45 1H2* C 4 2H2' C 4 5.747 4.353 11.240 46 1H5* G 5 1H5' G 5 2.120 7.541 10.632 47 2H5* G 5 2H5' G 5 2.036 9.212 11.267 48 H4* G 5 H4' G 5 -0.090 8.259 11.677 49 H3* G 5 H3' G 5 1.380 9.037 14.031 50 H1* G 5 H1' G 5 -0.710 6.125 13.809 51 H8 G 5 H8 G 5 3.040 4.811 13.828 52 H1 G 5 H1 G 5 -1.464 0.193 13.904 53 1H2 G 5 1H2 G 5 -3.716 2.871 13.690 54 2H2 G 5 2H2 G 5 -3.514 1.139 13.803 55 2H2* G 5 1H2' G 5 0.823 7.074 15.422 56 1H2* G 5 2H2' G 5 2.169 6.801 14.413 57 1H5* C 6 1H5' C 6 -2.619 7.452 13.376 58 2H5* C 6 2H5' C 6 -4.172 8.277 13.167 59 H4* C 6 H4' C 6 -5.003 6.845 14.681 60 H3* C 6 H3' C 6 -3.275 8.385 16.644 61 H1* C 6 H1' C 6 -4.527 4.819 16.284 62 1H4 C 6 1H4 C 6 1.640 2.233 17.404 63 2H4 C 6 2H4 C 6 0.525 0.885 17.443 64 H5 C 6 H5 C 6 0.916 4.536 17.016 65 H6 C 6 H6 C 6 -0.978 5.950 16.451 66 2H2* C 6 1H2' C 6 -4.294 6.163 18.023 67 1H2* C 6 2H2' C 6 -2.602 6.592 17.716 68 1H5* G 7 1H5' G 7 -6.542 5.882 16.991 69 2H5* G 7 2H5' G 7 -8.071 6.527 17.681 70 H4* G 7 H4' G 7 -8.016 4.182 18.213 71 H3* G 7 H3' G 7 -7.683 5.971 20.511 72 H1* G 7 H1' G 7 -6.336 2.498 19.866 73 H8 G 7 H8 G 7 -3.806 5.238 20.266 74 H1 G 7 H1 G 7 -1.139 -0.609 20.200 75 1H2 G 7 1H2 G 7 -4.430 -1.703 19.800 76 2H2 G 7 2H2 G 7 -2.752 -2.154 20.011 77 2H2* G 7 1H2' G 7 -6.451 3.889 21.712 78 1H2* G 7 2H2' G 7 -5.687 5.148 21.149 79 1H5* T 8 1H5' T 8 -8.202 1.467 20.255 80 2H5* T 8 2H5' T 8 -9.486 1.058 21.352 81 H4* T 8 H4' T 8 -7.983 -0.895 21.294 82 H3* T 8 H3' T 8 -8.827 0.389 23.727 83 1H2* T 8 2H2' T 8 -6.755 1.144 24.059 84 2H2* T 8 1H2' T 8 -6.583 -0.515 24.767 85 H1* T 8 H1' T 8 -5.647 -1.345 22.787 86 H3 T 8 H3 T 8 -1.357 0.101 23.775 87 1H5M T 8 1H5M T 8 -4.389 4.595 23.109 88 2H5M T 8 2H5M T 8 -3.330 4.449 24.519 89 3H5M T 8 3H5M T 8 -2.628 4.614 22.923 90 H6 T 8 H6 T 8 -5.492 2.321 22.777 91 1H5* G 9 1H5' G 9 -6.374 -3.223 23.457 92 2H5* G 9 2H5' G 9 -7.431 -4.501 23.931 93 H4* G 9 H4' G 9 -5.273 -5.325 24.446 94 H3* G 9 H3' G 9 -6.910 -4.845 26.716 95 H1* G 9 H1' G 9 -3.252 -4.345 26.428 96 H8 G 9 H8 G 9 -4.809 -0.747 26.824 97 H1 G 9 H1 G 9 1.570 -0.958 25.991 98 1H2 G 9 1H2 G 9 1.061 -4.442 25.809 99 2H2 G 9 2H2 G 9 2.232 -3.144 25.789 100 2H2* G 9 1H2' G 9 -4.780 -3.982 28.237 101 1H2* G 9 2H2' G 9 -5.748 -2.844 27.266 102 1H5* G 10 1H5' G 10 -2.710 -6.609 26.363 103 2H5* G 10 2H5' G 10 -2.860 -8.223 27.090 104 H4* G 10 H4' G 10 -0.589 -7.766 26.999 105 H3* G 10 H3' G 10 -1.736 -8.320 29.452 106 H1* G 10 H1' G 10 0.875 -5.569 29.078 107 H8 G 10 H8 G 10 -2.652 -3.939 29.433 108 H1 G 10 H1 G 10 2.316 0.130 29.115 109 1H2 G 10 1H2 G 10 4.208 -2.778 28.591 110 2H2 G 10 2H2 G 10 4.218 -1.036 28.726 111 H3T G 10 HO3 G 10 1.005 -7.789 28.871 112 2H2* G 10 1H2' G 10 -0.311 -6.492 30.889 113 1H2* G 10 2H2' G 10 -1.896 -6.064 30.188 114 1H5* C 1 1H5' C 1 9.072 6.230 29.279 115 2H5* C 1 2H5' C 1 7.378 5.933 28.850 116 H4* C 1 H4' C 1 9.363 3.872 29.931 117 H3* C 1 H3' C 1 9.375 4.748 27.358 118 H1* C 1 H1' C 1 7.291 1.755 28.183 119 1H4 C 1 1H4 C 1 0.848 3.736 28.380 120 2H4 C 1 2H4 C 1 0.854 1.994 28.534 121 H5 C 1 H5 C 1 2.927 5.077 28.313 122 H6 C 1 H6 C 1 5.340 4.944 28.218 123 H5T C 1 H5' C 1 8.537 5.509 31.404 124 2H2* C 1 1H2' C 1 7.609 3.019 26.267 125 1H2* C 1 2H2' C 1 7.058 4.523 27.012 126 1H5* C 2 1H5' C 2 8.830 0.178 28.362 127 2H5* C 2 2H5' C 2 10.216 -0.584 27.632 128 H4* C 2 H4' C 2 8.380 -2.227 27.759 129 H3* C 2 H3' C 2 9.682 -1.758 25.326 130 H1* C 2 H1' C 2 6.117 -2.400 25.843 131 1H4 C 2 1H4 C 2 2.582 3.335 25.131 132 2H4 C 2 2H4 C 2 1.426 2.037 25.362 133 H5 C 2 H5 C 2 5.048 2.922 25.121 134 H6 C 2 H6 C 2 6.725 1.233 25.229 135 2H2* C 2 1H2' C 2 7.363 -1.895 23.870 136 1H2* C 2 2H2' C 2 7.950 -0.360 24.513 137 1H5* A 3 1H5' A 3 5.562 -4.594 25.700 138 2H5* A 3 2H5' A 3 6.560 -6.093 25.356 139 H4* A 3 H4' A 3 4.373 -6.535 25.050 140 H3* A 3 H3' A 3 6.084 -6.575 22.962 141 H1* A 3 H1' A 3 2.696 -5.242 22.941 142 H8 A 3 H8 A 3 5.238 -2.329 22.205 143 1H6 A 3 1H6 A 3 0.436 1.545 22.802 144 2H6 A 3 2H6 A 3 2.174 1.416 22.614 145 H2 A 3 H2 A 3 -1.165 -2.618 22.969 146 2H2* A 3 1H2' A 3 4.247 -5.381 21.146 147 1H2* A 3 2H2' A 3 5.411 -4.492 22.045 148 1H5* C 4 1H5' C 4 2.223 -7.277 23.054 149 2H5* C 4 2H5' C 4 1.266 -8.642 23.556 150 H4* C 4 H4' C 4 -0.335 -8.015 22.133 151 H3* C 4 H3' C 4 1.601 -8.935 20.036 152 H1* C 4 H1' C 4 -0.922 -6.215 20.192 153 1H4 C 4 1H4 C 4 2.337 -0.382 19.224 154 2H4 C 4 2H4 C 4 0.655 0.047 19.413 155 H5 C 4 H5 C 4 3.172 -2.694 19.386 156 H6 C 4 H6 C 4 2.530 -4.934 19.669 157 2H2* C 4 1H2' C 4 0.539 -7.228 18.565 158 1H2* C 4 2H2' C 4 1.905 -6.873 19.345 159 1H5* G 5 1H5' G 5 -2.670 -7.723 19.740 160 2H5* G 5 2H5' G 5 -3.513 -9.181 19.142 161 H4* G 5 H4' G 5 -4.934 -7.395 18.526 162 H3* G 5 H3' G 5 -3.685 -8.724 16.218 163 H1* G 5 H1' G 5 -4.513 -5.173 16.418 164 H8 G 5 H8 G 5 -0.589 -5.909 16.717 165 H1 G 5 H1 G 5 -2.013 0.362 16.720 166 1H2 G 5 1H2 G 5 -5.352 -0.707 16.844 167 2H2 G 5 2H2 G 5 -4.252 0.653 16.830 168 2H2* G 5 1H2' G 5 -3.549 -6.711 14.859 169 1H2* G 5 2H2' G 5 -2.281 -7.112 15.906 170 1H5* C 6 1H5' C 6 -6.787 -5.616 16.636 171 2H5* C 6 2H5' C 6 -8.223 -6.109 15.698 172 H4* C 6 H4' C 6 -8.085 -3.630 15.667 173 H3* C 6 H3' C 6 -7.761 -5.272 13.240 174 H1* C 6 H1' C 6 -6.568 -1.850 14.156 175 1H4 C 6 1H4 C 6 0.017 -3.156 13.118 176 2H4 C 6 2H4 C 6 -0.128 -1.415 13.184 177 H5 C 6 H5 C 6 -1.919 -4.667 13.279 178 H6 C 6 H6 C 6 -4.307 -4.791 13.781 179 2H2* C 6 1H2' C 6 -7.026 -2.866 12.178 180 1H2* C 6 2H2' C 6 -5.954 -4.269 12.486 181 1H5* G 7 1H5' G 7 -8.684 -1.120 13.380 182 2H5* G 7 2H5' G 7 -10.249 -0.625 12.656 183 H4* G 7 H4' G 7 -8.735 1.187 12.239 184 H3* G 7 H3' G 7 -9.503 -0.361 9.858 185 H1* G 7 H1' G 7 -6.385 1.600 10.683 186 H8 G 7 H8 G 7 -5.936 -2.077 10.126 187 H1 G 7 H1 G 7 -0.350 1.082 10.380 188 1H2 G 7 1H2 G 7 -2.407 3.894 10.712 189 2H2 G 7 2H2 G 7 -0.776 3.290 10.532 190 2H2* G 7 1H2' G 7 -7.240 0.635 8.760 191 1H2* G 7 2H2' G 7 -7.387 -0.859 9.254 192 1H5* T 8 1H5' T 8 -7.250 3.543 10.331 193 2H5* T 8 2H5' T 8 -8.035 4.679 9.278 194 H4* T 8 H4' T 8 -5.670 5.362 9.385 195 H3* T 8 H3' T 8 -7.113 4.928 6.937 196 1H2* T 8 2H2' T 8 -5.878 3.117 6.516 197 2H2* T 8 1H2' T 8 -4.764 4.387 5.860 198 H1* T 8 H1' T 8 -3.515 4.431 7.840 199 H3 T 8 H3 T 8 -0.887 0.788 6.705 200 1H5M T 8 1H5M T 8 -5.018 -1.569 5.899 201 2H5M T 8 2H5M T 8 -4.561 -2.149 7.488 202 3H5M T 8 3H5M T 8 -5.977 -1.097 7.310 203 H6 T 8 H6 T 8 -5.538 1.371 7.726 204 1H5* G 9 1H5' G 9 -2.996 6.390 7.192 205 2H5* G 9 2H5' G 9 -3.117 8.069 6.812 206 H4* G 9 H4' G 9 -0.896 7.514 6.204 207 H3* G 9 H3' G 9 -2.556 8.167 3.995 208 H1* G 9 H1' G 9 0.122 5.611 4.122 209 H8 G 9 H8 G 9 -3.255 3.621 3.718 210 H1 G 9 H1 G 9 2.024 0.023 4.478 211 1H2 G 9 1H2 G 9 3.672 3.130 4.692 212 2H2 G 9 2H2 G 9 3.848 1.391 4.692 213 2H2* G 9 1H2' G 9 -1.372 6.278 2.374 214 1H2* G 9 2H2' G 9 -2.800 5.887 3.364 215 1H5* G 10 1H5' G 10 1.889 7.125 4.209 216 2H5* G 10 2H5' G 10 2.706 8.534 3.498 217 H4* G 10 H4' G 10 4.266 6.823 3.499 218 H3* G 10 H3' G 10 3.599 8.005 1.090 219 H1* G 10 H1' G 10 4.100 4.241 1.362 220 H8 G 10 H8 G 10 0.285 4.995 1.095 221 H1 G 10 H1 G 10 1.907 -1.220 1.332 222 1H2 G 10 1H2 G 10 5.152 0.011 1.859 223 2H2 G 10 2H2 G 10 4.132 -1.402 1.718 224 H3T G 10 HO3 G 10 5.728 7.424 1.787 225 2H2* G 10 1H2' G 10 3.620 5.724 -0.404 226 1H2* G 10 2H2' G 10 2.111 6.294 0.361 Start of MODEL 7 1 1H5* C 1 1H5' C 1 3.844 -10.401 1.429 2 2H5* C 1 2H5' C 1 2.650 -9.152 1.826 3 H4* C 1 H4' C 1 5.497 -8.686 0.810 4 H3* C 1 H3' C 1 4.922 -9.382 3.374 5 H1* C 1 H1' C 1 5.052 -5.738 2.526 6 1H4 C 1 1H4 C 1 -1.306 -3.518 2.140 7 2H4 C 1 2H4 C 1 -0.272 -2.115 2.012 8 H5 C 1 H5 C 1 -0.427 -5.823 2.255 9 H6 C 1 H6 C 1 1.590 -7.143 2.415 10 H5T C 1 H5' C 1 3.893 -9.511 -0.699 11 2H2* C 1 1H2' C 1 4.512 -6.930 4.438 12 1H2* C 1 2H2' C 1 3.189 -7.813 3.670 13 1H5* C 2 1H5' C 2 7.232 -5.406 2.411 14 2H5* C 2 2H5' C 2 8.781 -5.620 3.178 15 H4* C 2 H4' C 2 8.305 -3.211 3.029 16 H3* C 2 H3' C 2 8.969 -4.355 5.502 17 H1* C 2 H1' C 2 6.541 -1.685 4.861 18 1H4 C 2 1H4 C 2 0.257 -4.162 5.455 19 2H4 C 2 2H4 C 2 0.106 -2.435 5.199 20 H5 C 2 H5 C 2 2.476 -5.303 5.518 21 H6 C 2 H6 C 2 4.831 -4.953 5.465 22 2H2* C 2 1H2' C 2 7.159 -2.801 6.876 23 1H2* C 2 2H2' C 2 6.729 -4.394 6.247 24 1H5* A 3 1H5' A 3 7.445 0.415 5.011 25 2H5* A 3 2H5' A 3 9.132 0.981 5.427 26 H4* A 3 H4' A 3 7.657 2.685 5.733 27 H3* A 3 H3' A 3 8.955 1.574 7.835 28 H1* A 3 H1' A 3 5.500 2.665 7.713 29 H8 A 3 H8 A 3 5.662 -1.193 8.528 30 1H6 A 3 1H6 A 3 -0.458 -1.351 7.663 31 2H6 A 3 2H6 A 3 0.994 -2.290 7.935 32 H2 A 3 H2 A 3 0.813 2.933 7.451 33 2H2* A 3 1H2' A 3 6.700 1.865 9.592 34 1H2* A 3 2H2' A 3 7.118 0.415 8.738 35 1H5* C 4 1H5' C 4 6.399 4.533 7.600 36 2H5* C 4 2H5' C 4 7.072 6.087 8.026 37 H4* C 4 H4' C 4 4.635 6.430 8.209 38 H3* C 4 H3' C 4 6.313 6.567 10.612 39 H1* C 4 H1' C 4 2.827 5.516 10.140 40 1H4 C 4 1H4 C 4 2.189 -1.102 11.428 41 2H4 C 4 2H4 C 4 0.569 -0.511 11.148 42 H5 C 4 H5 C 4 4.189 0.335 11.317 43 H6 C 4 H6 C 4 4.940 2.550 10.960 44 2H2* C 4 1H2' C 4 4.460 5.557 11.967 45 1H2* C 4 2H2' C 4 5.465 4.530 11.255 46 1H5* G 5 1H5' G 5 1.867 7.639 10.428 47 2H5* G 5 2H5' G 5 1.871 9.356 10.920 48 H4* G 5 H4' G 5 -0.290 8.611 11.516 49 H3* G 5 H3' G 5 1.408 9.244 13.831 50 H1* G 5 H1' G 5 -1.149 6.655 13.749 51 H8 G 5 H8 G 5 2.568 5.166 13.603 52 H1 G 5 H1 G 5 -2.015 0.651 13.842 53 1H2 G 5 1H2 G 5 -4.243 3.357 13.620 54 2H2 G 5 2H2 G 5 -4.061 1.620 13.721 55 2H2* G 5 1H2' G 5 0.462 7.539 15.283 56 1H2* G 5 2H2' G 5 1.764 7.143 14.272 57 1H5* C 6 1H5' C 6 -2.892 8.157 13.413 58 2H5* C 6 2H5' C 6 -3.828 9.428 14.249 59 H4* C 6 H4' C 6 -5.067 7.288 14.489 60 H3* C 6 H3' C 6 -3.863 8.704 16.774 61 H1* C 6 H1' C 6 -4.745 5.116 16.209 62 1H4 C 6 1H4 C 6 1.524 2.740 17.359 63 2H4 C 6 2H4 C 6 0.455 1.354 17.394 64 H5 C 6 H5 C 6 0.708 5.032 17.001 65 H6 C 6 H6 C 6 -1.234 6.381 16.400 66 2H2* C 6 1H2' C 6 -4.546 6.387 18.063 67 1H2* C 6 2H2' C 6 -2.887 6.950 17.684 68 1H5* G 7 1H5' G 7 -6.914 5.754 16.937 69 2H5* G 7 2H5' G 7 -8.486 6.235 17.660 70 H4* G 7 H4' G 7 -8.155 3.921 18.234 71 H3* G 7 H3' G 7 -7.973 5.792 20.491 72 H1* G 7 H1' G 7 -6.346 2.463 19.866 73 H8 G 7 H8 G 7 -3.996 5.365 20.228 74 H1 G 7 H1 G 7 -0.993 -0.308 20.167 75 1H2 G 7 1H2 G 7 -4.233 -1.571 19.744 76 2H2 G 7 2H2 G 7 -2.541 -1.941 19.980 77 2H2* G 7 1H2' G 7 -6.526 3.858 21.701 78 1H2* G 7 2H2' G 7 -5.879 5.173 21.096 79 1H5* T 8 1H5' T 8 -8.082 1.229 20.277 80 2H5* T 8 2H5' T 8 -9.305 0.718 21.407 81 H4* T 8 H4' T 8 -7.604 -1.087 21.300 82 H3* T 8 H3' T 8 -8.613 0.045 23.700 83 1H2* T 8 2H2' T 8 -6.679 1.176 24.050 84 2H2* T 8 1H2' T 8 -6.315 -0.384 24.788 85 H1* T 8 H1' T 8 -5.268 -1.212 22.834 86 H3 T 8 H3 T 8 -1.100 0.578 23.622 87 1H5M T 8 1H5M T 8 -2.829 4.974 22.880 88 2H5M T 8 2H5M T 8 -4.572 4.774 23.128 89 3H5M T 8 3H5M T 8 -3.456 4.725 24.500 90 H6 T 8 H6 T 8 -5.479 2.410 22.843 91 1H5* G 9 1H5' G 9 -5.897 -3.269 23.173 92 2H5* G 9 2H5' G 9 -6.168 -4.837 22.523 93 H4* G 9 H4' G 9 -4.945 -5.765 24.179 94 H3* G 9 H3' G 9 -6.911 -4.785 26.043 95 H1* G 9 H1' G 9 -3.180 -4.572 26.253 96 H8 G 9 H8 G 9 -4.497 -0.909 26.638 97 H1 G 9 H1 G 9 1.847 -1.403 25.871 98 1H2 G 9 1H2 G 9 1.231 -4.849 25.546 99 2H2 G 9 2H2 G 9 2.433 -3.577 25.601 100 2H2* G 9 1H2' G 9 -4.943 -3.943 27.749 101 1H2* G 9 2H2' G 9 -5.684 -2.885 26.531 102 1H5* G 10 1H5' G 10 -2.975 -6.888 26.365 103 2H5* G 10 2H5' G 10 -3.259 -8.379 27.288 104 H4* G 10 H4' G 10 -0.958 -7.997 27.259 105 H3* G 10 H3' G 10 -2.274 -8.278 29.674 106 H1* G 10 H1' G 10 0.457 -5.666 29.211 107 H8 G 10 H8 G 10 -3.014 -3.882 29.256 108 H1 G 10 H1 G 10 2.144 -0.043 29.055 109 1H2 G 10 1H2 G 10 3.917 -3.025 28.601 110 2H2 G 10 2H2 G 10 3.992 -1.281 28.714 111 H3T G 10 HO3 G 10 -0.224 -9.202 29.108 112 2H2* G 10 1H2' G 10 -0.873 -6.367 31.024 113 1H2* G 10 2H2' G 10 -2.396 -5.962 30.184 114 1H5* C 1 1H5' C 1 9.411 5.523 29.749 115 2H5* C 1 2H5' C 1 7.720 5.321 29.255 116 H4* C 1 H4' C 1 9.595 3.121 30.253 117 H3* C 1 H3' C 1 9.706 4.158 27.741 118 H1* C 1 H1' C 1 7.486 1.193 28.336 119 1H4 C 1 1H4 C 1 1.137 3.461 28.452 120 2H4 C 1 2H4 C 1 1.044 1.717 28.499 121 H5 C 1 H5 C 1 3.269 4.694 28.533 122 H6 C 1 H6 C 1 5.668 4.457 28.512 123 H5T C 1 H5' C 1 8.785 4.689 31.808 124 2H2* C 1 1H2' C 1 7.909 2.552 26.505 125 1H2* C 1 2H2' C 1 7.393 4.031 27.320 126 1H5* C 2 1H5' C 2 8.982 -0.419 28.436 127 2H5* C 2 2H5' C 2 10.369 -1.177 27.704 128 H4* C 2 H4' C 2 8.504 -2.776 27.671 129 H3* C 2 H3' C 2 9.853 -2.137 25.290 130 H1* C 2 H1' C 2 6.268 -2.804 25.719 131 1H4 C 2 1H4 C 2 2.932 3.102 25.281 132 2H4 C 2 2H4 C 2 1.728 1.838 25.442 133 H5 C 2 H5 C 2 5.373 2.603 25.291 134 H6 C 2 H6 C 2 6.987 0.852 25.342 135 2H2* C 2 1H2' C 2 7.535 -2.210 23.792 136 1H2* C 2 2H2' C 2 8.142 -0.722 24.520 137 1H5* A 3 1H5' A 3 5.805 -4.948 25.320 138 2H5* A 3 2H5' A 3 6.598 -6.430 24.659 139 H4* A 3 H4' A 3 4.352 -6.430 24.159 140 H3* A 3 H3' A 3 6.252 -6.294 22.218 141 H1* A 3 H1' A 3 3.108 -4.728 22.400 142 H8 A 3 H8 A 3 5.551 -1.687 21.887 143 1H6 A 3 1H6 A 3 0.569 1.931 22.843 144 2H6 A 3 2H6 A 3 2.300 1.909 22.567 145 H2 A 3 H2 A 3 -0.771 -2.331 22.979 146 2H2* A 3 1H2' A 3 4.681 -4.603 20.611 147 1H2* A 3 2H2' A 3 5.881 -3.940 21.703 148 1H5* C 4 1H5' C 4 2.515 -6.671 22.919 149 2H5* C 4 2H5' C 4 1.344 -7.784 23.579 150 H4* C 4 H4' C 4 -0.088 -7.412 21.908 151 H3* C 4 H3' C 4 2.026 -8.392 20.023 152 H1* C 4 H1' C 4 -0.545 -5.729 19.833 153 1H4 C 4 1H4 C 4 2.644 0.201 19.146 154 2H4 C 4 2H4 C 4 0.969 0.583 19.466 155 H5 C 4 H5 C 4 3.517 -2.125 19.131 156 H6 C 4 H6 C 4 2.925 -4.342 19.174 157 2H2* C 4 1H2' C 4 1.051 -6.796 18.338 158 1H2* C 4 2H2' C 4 2.306 -6.329 19.220 159 1H5* G 5 1H5' G 5 -2.294 -7.303 19.761 160 2H5* G 5 2H5' G 5 -3.089 -8.822 19.252 161 H4* G 5 H4' G 5 -4.679 -7.131 18.713 162 H3* G 5 H3' G 5 -3.556 -8.445 16.366 163 H1* G 5 H1' G 5 -4.478 -4.918 16.537 164 H8 G 5 H8 G 5 -0.548 -5.548 16.820 165 H1 G 5 H1 G 5 -2.067 0.707 16.701 166 1H2 G 5 1H2 G 5 -5.389 -0.425 16.787 167 2H2 G 5 2H2 G 5 -4.315 0.956 16.776 168 2H2* G 5 1H2' G 5 -3.500 -6.455 14.977 169 1H2* G 5 2H2' G 5 -2.192 -6.792 15.989 170 1H5* C 6 1H5' C 6 -6.749 -5.341 16.817 171 2H5* C 6 2H5' C 6 -8.191 -5.900 15.926 172 H4* C 6 H4' C 6 -8.109 -3.420 15.789 173 H3* C 6 H3' C 6 -7.788 -5.154 13.430 174 H1* C 6 H1' C 6 -6.656 -1.671 14.180 175 1H4 C 6 1H4 C 6 -0.062 -2.889 13.061 176 2H4 C 6 2H4 C 6 -0.243 -1.149 13.098 177 H5 C 6 H5 C 6 -1.961 -4.420 13.300 178 H6 C 6 H6 C 6 -4.332 -4.576 13.894 179 2H2* C 6 1H2' C 6 -7.119 -2.770 12.262 180 1H2* C 6 2H2' C 6 -6.017 -4.140 12.599 181 1H5* G 7 1H5' G 7 -8.801 -1.015 13.404 182 2H5* G 7 2H5' G 7 -10.378 -0.570 12.670 183 H4* G 7 H4' G 7 -8.880 1.244 12.188 184 H3* G 7 H3' G 7 -9.645 -0.374 9.854 185 H1* G 7 H1' G 7 -6.531 1.616 10.617 186 H8 G 7 H8 G 7 -6.082 -2.074 10.149 187 H1 G 7 H1 G 7 -0.514 1.115 10.286 188 1H2 G 7 1H2 G 7 -2.572 3.914 10.678 189 2H2 G 7 2H2 G 7 -0.944 3.315 10.458 190 2H2* G 7 1H2' G 7 -7.386 0.601 8.722 191 1H2* G 7 2H2' G 7 -7.534 -0.880 9.251 192 1H5* T 8 1H5' T 8 -7.387 3.554 10.211 193 2H5* T 8 2H5' T 8 -8.160 4.662 9.119 194 H4* T 8 H4' T 8 -5.791 5.335 9.225 195 H3* T 8 H3' T 8 -7.212 4.842 6.774 196 1H2* T 8 2H2' T 8 -5.984 3.015 6.417 197 2H2* T 8 1H2' T 8 -4.856 4.261 5.738 198 H1* T 8 H1' T 8 -3.626 4.348 7.729 199 H3 T 8 H3 T 8 -1.012 0.665 6.707 200 1H5M T 8 1H5M T 8 -6.121 -1.177 7.318 201 2H5M T 8 2H5M T 8 -5.171 -1.677 5.912 202 3H5M T 8 3H5M T 8 -4.713 -2.235 7.508 203 H6 T 8 H6 T 8 -5.669 1.299 7.680 204 1H5* G 9 1H5' G 9 -3.089 6.289 7.048 205 2H5* G 9 2H5' G 9 -3.191 7.956 6.615 206 H4* G 9 H4' G 9 -0.969 7.366 6.059 207 H3* G 9 H3' G 9 -2.595 7.969 3.810 208 H1* G 9 H1' G 9 0.070 5.406 4.042 209 H8 G 9 H8 G 9 -3.311 3.421 3.650 210 H1 G 9 H1 G 9 1.956 -0.175 4.509 211 1H2 G 9 1H2 G 9 3.604 2.934 4.692 212 2H2 G 9 2H2 G 9 3.779 1.195 4.721 213 2H2* G 9 1H2' G 9 -1.394 6.035 2.255 214 1H2* G 9 2H2' G 9 -2.838 5.675 3.232 215 1H5* G 10 1H5' G 10 1.840 6.917 4.115 216 2H5* G 10 2H5' G 10 2.670 8.309 3.386 217 H4* G 10 H4' G 10 4.227 6.596 3.449 218 H3* G 10 H3' G 10 3.598 7.726 1.004 219 H1* G 10 H1' G 10 4.092 3.969 1.366 220 H8 G 10 H8 G 10 0.280 4.719 1.033 221 H1 G 10 H1 G 10 1.900 -1.490 1.414 222 1H2 G 10 1H2 G 10 5.128 -0.248 1.987 223 2H2 G 10 2H2 G 10 4.108 -1.663 1.861 224 H3T G 10 HO3 G 10 5.716 7.159 1.749 225 2H2* G 10 1H2' G 10 3.642 5.413 -0.439 226 1H2* G 10 2H2' G 10 2.121 6.001 0.289 Start of MODEL 8 1 1H5* C 1 1H5' C 1 3.639 -10.369 1.278 2 2H5* C 1 2H5' C 1 2.482 -9.103 1.732 3 H4* C 1 H4' C 1 5.335 -8.677 0.722 4 H3* C 1 H3' C 1 4.736 -9.401 3.275 5 H1* C 1 H1' C 1 4.942 -5.748 2.477 6 1H4 C 1 1H4 C 1 -1.369 -3.393 2.117 7 2H4 C 1 2H4 C 1 -0.305 -2.010 2.007 8 H5 C 1 H5 C 1 -0.537 -5.716 2.204 9 H6 C 1 H6 C 1 1.451 -7.080 2.348 10 H5T C 1 H5' C 1 2.801 -8.277 -0.434 11 2H2* C 1 1H2' C 1 4.374 -6.954 4.373 12 1H2* C 1 2H2' C 1 3.036 -7.801 3.592 13 1H5* C 2 1H5' C 2 7.128 -5.458 2.371 14 2H5* C 2 2H5' C 2 8.671 -5.716 3.137 15 H4* C 2 H4' C 2 8.248 -3.293 3.019 16 H3* C 2 H3' C 2 8.888 -4.487 5.474 17 H1* C 2 H1' C 2 6.516 -1.757 4.875 18 1H4 C 2 1H4 C 2 0.180 -4.110 5.421 19 2H4 C 2 2H4 C 2 0.066 -2.377 5.189 20 H5 C 2 H5 C 2 2.374 -5.298 5.472 21 H6 C 2 H6 C 2 4.737 -4.997 5.427 22 2H2* C 2 1H2' C 2 7.111 -2.919 6.872 23 1H2* C 2 2H2' C 2 6.646 -4.492 6.218 24 1H5* A 3 1H5' A 3 7.464 0.323 5.060 25 2H5* A 3 2H5' A 3 9.165 0.844 5.481 26 H4* A 3 H4' A 3 7.737 2.579 5.815 27 H3* A 3 H3' A 3 9.001 1.403 7.900 28 H1* A 3 H1' A 3 5.571 2.571 7.800 29 H8 A 3 H8 A 3 5.648 -1.305 8.542 30 1H6 A 3 1H6 A 3 -0.472 -1.315 7.663 31 2H6 A 3 2H6 A 3 0.958 -2.288 7.933 32 H2 A 3 H2 A 3 0.895 2.941 7.497 33 2H2* A 3 1H2' A 3 6.753 1.707 9.661 34 1H2* A 3 2H2' A 3 7.140 0.266 8.777 35 1H5* C 4 1H5' C 4 6.510 4.422 7.724 36 2H5* C 4 2H5' C 4 7.217 5.952 8.178 37 H4* C 4 H4' C 4 4.788 6.348 8.371 38 H3* C 4 H3' C 4 6.464 6.399 10.778 39 H1* C 4 H1' C 4 2.959 5.432 10.283 40 1H4 C 4 1H4 C 4 2.180 -1.202 11.411 41 2H4 C 4 2H4 C 4 0.574 -0.573 11.134 42 H5 C 4 H5 C 4 4.207 0.197 11.351 43 H6 C 4 H6 C 4 5.008 2.402 11.046 44 2H2* C 4 1H2' C 4 4.593 5.394 12.114 45 1H2* C 4 2H2' C 4 5.571 4.364 11.374 46 1H5* G 5 1H5' G 5 2.036 7.568 10.614 47 2H5* G 5 2H5' G 5 2.095 9.282 11.117 48 H4* G 5 H4' G 5 -0.091 8.624 11.718 49 H3* G 5 H3' G 5 1.628 9.132 14.042 50 H1* G 5 H1' G 5 -1.021 6.637 13.900 51 H8 G 5 H8 G 5 2.638 5.024 13.681 52 H1 G 5 H1 G 5 -2.095 0.660 13.781 53 1H2 G 5 1H2 G 5 -4.231 3.447 13.644 54 2H2 G 5 2H2 G 5 -4.107 1.703 13.686 55 2H2* G 5 1H2' G 5 0.627 7.418 15.448 56 1H2* G 5 2H2' G 5 1.911 7.005 14.420 57 1H5* C 6 1H5' C 6 -2.697 8.228 13.627 58 2H5* C 6 2H5' C 6 -3.604 9.486 14.511 59 H4* C 6 H4' C 6 -4.887 7.368 14.658 60 H3* C 6 H3' C 6 -3.659 8.643 17.018 61 H1* C 6 H1' C 6 -4.627 5.111 16.269 62 1H4 C 6 1H4 C 6 1.581 2.555 17.373 63 2H4 C 6 2H4 C 6 0.481 1.194 17.354 64 H5 C 6 H5 C 6 0.820 4.872 17.112 65 H6 C 6 H6 C 6 -1.094 6.291 16.545 66 2H2* C 6 1H2' C 6 -4.412 6.293 18.194 67 1H2* C 6 2H2' C 6 -2.738 6.829 17.846 68 1H5* G 7 1H5' G 7 -6.778 5.769 17.042 69 2H5* G 7 2H5' G 7 -8.344 6.261 17.774 70 H4* G 7 H4' G 7 -8.068 3.922 18.296 71 H3* G 7 H3' G 7 -7.757 5.730 20.613 72 H1* G 7 H1' G 7 -6.355 2.322 19.775 73 H8 G 7 H8 G 7 -3.904 5.109 20.290 74 H1 G 7 H1 G 7 -1.086 -0.657 20.112 75 1H2 G 7 1H2 G 7 -4.365 -1.817 19.741 76 2H2 G 7 2H2 G 7 -2.679 -2.238 19.945 77 2H2* G 7 1H2' G 7 -6.474 3.584 21.702 78 1H2* G 7 2H2' G 7 -5.757 4.910 21.228 79 1H5* T 8 1H5' T 8 -8.151 1.259 20.306 80 2H5* T 8 2H5' T 8 -9.420 0.790 21.381 81 H4* T 8 H4' T 8 -7.870 -1.094 21.295 82 H3* T 8 H3' T 8 -8.614 0.222 23.778 83 1H2* T 8 2H2' T 8 -6.540 0.811 24.118 84 2H2* T 8 1H2' T 8 -6.365 -0.910 24.697 85 H1* T 8 H1' T 8 -5.439 -1.557 22.636 86 H3 T 8 H3 T 8 -1.205 0.003 23.638 87 1H5M T 8 1H5M T 8 -3.290 4.279 24.525 88 2H5M T 8 2H5M T 8 -2.636 4.484 22.916 89 3H5M T 8 3H5M T 8 -4.390 4.414 23.144 90 H6 T 8 H6 T 8 -5.440 2.098 22.824 91 1H5* G 9 1H5' G 9 -5.211 -3.869 22.632 92 2H5* G 9 2H5' G 9 -6.325 -5.179 23.028 93 H4* G 9 H4' G 9 -4.363 -5.773 24.127 94 H3* G 9 H3' G 9 -6.562 -5.113 25.854 95 H1* G 9 H1' G 9 -2.922 -4.599 26.443 96 H8 G 9 H8 G 9 -4.550 -1.071 26.755 97 H1 G 9 H1 G 9 1.818 -1.067 25.852 98 1H2 G 9 1H2 G 9 1.434 -4.572 25.757 99 2H2 G 9 2H2 G 9 2.558 -3.235 25.707 100 2H2* G 9 1H2' G 9 -4.851 -4.190 27.801 101 1H2* G 9 2H2' G 9 -5.574 -3.133 26.566 102 1H5* G 10 1H5' G 10 -2.487 -6.888 26.465 103 2H5* G 10 2H5' G 10 -2.708 -8.432 27.317 104 H4* G 10 H4' G 10 -0.476 -7.883 27.551 105 H3* G 10 H3' G 10 -2.001 -8.213 29.840 106 H1* G 10 H1' G 10 0.583 -5.435 29.578 107 H8 G 10 H8 G 10 -2.973 -3.856 29.434 108 H1 G 10 H1 G 10 1.962 0.253 29.009 109 1H2 G 10 1H2 G 10 3.883 -2.641 28.609 110 2H2 G 10 2H2 G 10 3.859 -0.892 28.629 111 H3T G 10 HO3 G 10 0.150 -9.007 29.490 112 2H2* G 10 1H2' G 10 -0.868 -6.190 31.270 113 1H2* G 10 2H2' G 10 -2.327 -5.908 30.279 114 1H5* C 1 1H5' C 1 8.887 6.176 29.518 115 2H5* C 1 2H5' C 1 7.228 5.853 28.979 116 H4* C 1 H4' C 1 9.252 3.788 29.969 117 H3* C 1 H3' C 1 9.288 4.851 27.465 118 H1* C 1 H1' C 1 7.274 1.731 28.036 119 1H4 C 1 1H4 C 1 0.788 3.588 28.186 120 2H4 C 1 2H4 C 1 0.803 1.842 28.225 121 H5 C 1 H5 C 1 2.837 4.951 28.239 122 H6 C 1 H6 C 1 5.239 4.876 28.225 123 H5T C 1 H5' C 1 6.918 4.888 31.090 124 2H2* C 1 1H2' C 1 7.608 3.126 26.219 125 1H2* C 1 2H2' C 1 6.991 4.562 27.039 126 1H5* C 2 1H5' C 2 8.924 0.266 28.177 127 2H5* C 2 2H5' C 2 10.351 -0.410 27.448 128 H4* C 2 H4' C 2 8.596 -2.133 27.483 129 H3* C 2 H3' C 2 9.869 -1.509 25.063 130 H1* C 2 H1' C 2 6.335 -2.325 25.574 131 1H4 C 2 1H4 C 2 2.614 3.314 24.910 132 2H4 C 2 2H4 C 2 1.500 1.977 25.124 133 H5 C 2 H5 C 2 5.094 2.985 24.960 134 H6 C 2 H6 C 2 6.821 1.356 25.074 135 2H2* C 2 1H2' C 2 7.532 -1.709 23.608 136 1H2* C 2 2H2' C 2 8.078 -0.176 24.296 137 1H5* A 3 1H5' A 3 5.897 -4.573 25.429 138 2H5* A 3 2H5' A 3 6.983 -5.986 25.018 139 H4* A 3 H4' A 3 4.818 -6.584 24.696 140 H3* A 3 H3' A 3 6.521 -6.374 22.604 141 H1* A 3 H1' A 3 3.045 -5.325 22.697 142 H8 A 3 H8 A 3 5.377 -2.222 21.970 143 1H6 A 3 1H6 A 3 0.391 1.354 22.708 144 2H6 A 3 2H6 A 3 2.125 1.309 22.474 145 H2 A 3 H2 A 3 -0.975 -2.900 22.934 146 2H2* A 3 1H2' A 3 4.515 -5.314 20.840 147 1H2* A 3 2H2' A 3 5.664 -4.366 21.720 148 1H5* C 4 1H5' C 4 2.736 -7.376 22.777 149 2H5* C 4 2H5' C 4 2.422 -9.033 22.324 150 H4* C 4 H4' C 4 0.220 -7.945 22.120 151 H3* C 4 H3' C 4 1.572 -8.957 19.718 152 H1* C 4 H1' C 4 -0.737 -6.144 20.205 153 1H4 C 4 1H4 C 4 2.468 -0.289 19.038 154 2H4 C 4 2H4 C 4 0.788 0.124 19.288 155 H5 C 4 H5 C 4 3.317 -2.604 19.143 156 H6 C 4 H6 C 4 2.692 -4.860 19.457 157 2H2* C 4 1H2' C 4 0.618 -7.064 18.382 158 1H2* C 4 2H2' C 4 2.016 -6.787 19.120 159 1H5* G 5 1H5' G 5 -2.711 -7.365 19.844 160 2H5* G 5 2H5' G 5 -3.654 -8.796 19.337 161 H4* G 5 H4' G 5 -5.038 -6.992 18.712 162 H3* G 5 H3' G 5 -3.904 -8.418 16.405 163 H1* G 5 H1' G 5 -4.625 -4.849 16.524 164 H8 G 5 H8 G 5 -0.705 -5.646 16.751 165 H1 G 5 H1 G 5 -2.059 0.648 16.639 166 1H2 G 5 1H2 G 5 -5.409 -0.400 16.775 167 2H2 G 5 2H2 G 5 -4.305 0.955 16.728 168 2H2* G 5 1H2' G 5 -3.729 -6.449 14.988 169 1H2* G 5 2H2' G 5 -2.445 -6.847 16.023 170 1H5* C 6 1H5' C 6 -6.910 -5.192 16.800 171 2H5* C 6 2H5' C 6 -8.377 -5.697 15.916 172 H4* C 6 H4' C 6 -8.202 -3.225 15.769 173 H3* C 6 H3' C 6 -7.941 -4.979 13.413 174 H1* C 6 H1' C 6 -6.679 -1.538 14.158 175 1H4 C 6 1H4 C 6 -0.136 -3.038 13.063 176 2H4 C 6 2H4 C 6 -0.249 -1.292 13.085 177 H5 C 6 H5 C 6 -2.100 -4.491 13.315 178 H6 C 6 H6 C 6 -4.482 -4.542 13.874 179 2H2* C 6 1H2' C 6 -7.190 -2.627 12.238 180 1H2* C 6 2H2' C 6 -6.137 -4.035 12.583 181 1H5* G 7 1H5' G 7 -8.813 -0.828 13.396 182 2H5* G 7 2H5' G 7 -10.377 -0.327 12.670 183 H4* G 7 H4' G 7 -8.827 1.438 12.190 184 H3* G 7 H3' G 7 -9.634 -0.157 9.847 185 H1* G 7 H1' G 7 -6.467 1.745 10.626 186 H8 G 7 H8 G 7 -6.126 -1.957 10.131 187 H1 G 7 H1 G 7 -0.471 1.077 10.299 188 1H2 G 7 1H2 G 7 -2.455 3.929 10.698 189 2H2 G 7 2H2 G 7 -0.842 3.287 10.482 190 2H2* G 7 1H2' G 7 -7.350 0.770 8.723 191 1H2* G 7 2H2' G 7 -7.538 -0.709 9.239 192 1H5* T 8 1H5' T 8 -7.289 3.702 10.241 193 2H5* T 8 2H5' T 8 -8.038 4.839 9.164 194 H4* T 8 H4' T 8 -5.656 5.464 9.275 195 H3* T 8 H3' T 8 -7.088 5.026 6.820 196 1H2* T 8 2H2' T 8 -5.899 3.178 6.443 197 2H2* T 8 1H2' T 8 -4.747 4.408 5.776 198 H1* T 8 H1' T 8 -3.513 4.449 7.766 199 H3 T 8 H3 T 8 -0.975 0.719 6.716 200 1H5M T 8 1H5M T 8 -4.733 -2.110 7.488 201 2H5M T 8 2H5M T 8 -6.120 -1.021 7.319 202 3H5M T 8 3H5M T 8 -5.189 -1.525 5.901 203 H6 T 8 H6 T 8 -5.620 1.441 7.684 204 1H5* G 9 1H5' G 9 -2.938 6.386 7.108 205 2H5* G 9 2H5' G 9 -3.009 8.061 6.695 206 H4* G 9 H4' G 9 -0.798 7.437 6.129 207 H3* G 9 H3' G 9 -2.414 8.094 3.888 208 H1* G 9 H1' G 9 0.202 5.477 4.091 209 H8 G 9 H8 G 9 -3.218 3.563 3.679 210 H1 G 9 H1 G 9 1.972 -0.146 4.528 211 1H2 G 9 1H2 G 9 3.684 2.927 4.742 212 2H2 G 9 2H2 G 9 3.822 1.184 4.760 213 2H2* G 9 1H2' G 9 -1.251 6.153 2.313 214 1H2* G 9 2H2' G 9 -2.701 5.811 3.287 215 1H5* G 10 1H5' G 10 1.999 6.958 4.180 216 2H5* G 10 2H5' G 10 2.856 8.340 3.464 217 H4* G 10 H4' G 10 4.381 6.598 3.509 218 H3* G 10 H3' G 10 3.771 7.760 1.077 219 H1* G 10 H1' G 10 4.191 3.989 1.408 220 H8 G 10 H8 G 10 0.395 4.818 1.075 221 H1 G 10 H1 G 10 1.889 -1.425 1.419 222 1H2 G 10 1H2 G 10 5.139 -0.252 2.013 223 2H2 G 10 2H2 G 10 4.092 -1.645 1.874 224 H3T G 10 HO3 G 10 5.678 6.703 0.337 225 2H2* G 10 1H2' G 10 3.766 5.455 -0.386 226 1H2* G 10 2H2' G 10 2.260 6.069 0.350 Start of MODEL 9 1 1H5* C 1 1H5' C 1 3.564 -10.317 1.139 2 2H5* C 1 2H5' C 1 2.416 -9.051 1.615 3 H4* C 1 H4' C 1 5.266 -8.627 0.597 4 H3* C 1 H3' C 1 4.676 -9.381 3.143 5 H1* C 1 H1' C 1 4.899 -5.720 2.392 6 1H4 C 1 1H4 C 1 -1.399 -3.321 2.102 7 2H4 C 1 2H4 C 1 -0.326 -1.944 2.004 8 H5 C 1 H5 C 1 -0.582 -5.652 2.151 9 H6 C 1 H6 C 1 1.400 -7.030 2.264 10 H5T C 1 H5' C 1 2.731 -8.198 -0.542 11 2H2* C 1 1H2' C 1 4.334 -6.947 4.276 12 1H2* C 1 2H2' C 1 2.987 -7.777 3.490 13 1H5* C 2 1H5' C 2 7.086 -5.443 2.277 14 2H5* C 2 2H5' C 2 8.631 -5.719 3.032 15 H4* C 2 H4' C 2 8.222 -3.294 2.943 16 H3* C 2 H3' C 2 8.866 -4.519 5.383 17 H1* C 2 H1' C 2 6.510 -1.766 4.823 18 1H4 C 2 1H4 C 2 0.163 -4.084 5.392 19 2H4 C 2 2H4 C 2 0.060 -2.347 5.182 20 H5 C 2 H5 C 2 2.351 -5.288 5.408 21 H6 C 2 H6 C 2 4.715 -5.001 5.350 22 2H2* C 2 1H2' C 2 7.107 -2.949 6.805 23 1H2* C 2 2H2' C 2 6.629 -4.513 6.140 24 1H5* A 3 1H5' A 3 7.474 0.304 5.021 25 2H5* A 3 2H5' A 3 9.180 0.810 5.441 26 H4* A 3 H4' A 3 7.759 2.548 5.801 27 H3* A 3 H3' A 3 9.031 1.342 7.866 28 H1* A 3 H1' A 3 5.609 2.539 7.792 29 H8 A 3 H8 A 3 5.661 -1.344 8.504 30 1H6 A 3 1H6 A 3 -0.465 -1.299 7.672 31 2H6 A 3 2H6 A 3 0.960 -2.286 7.921 32 H2 A 3 H2 A 3 0.933 2.948 7.536 33 2H2* A 3 1H2' A 3 6.794 1.652 9.642 34 1H2* A 3 2H2' A 3 7.164 0.215 8.747 35 1H5* C 4 1H5' C 4 6.565 4.382 7.726 36 2H5* C 4 2H5' C 4 7.290 5.901 8.189 37 H4* C 4 H4' C 4 4.869 6.320 8.401 38 H3* C 4 H3' C 4 6.562 6.327 10.798 39 H1* C 4 H1' C 4 3.040 5.408 10.312 40 1H4 C 4 1H4 C 4 2.194 -1.224 11.403 41 2H4 C 4 2H4 C 4 0.593 -0.576 11.146 42 H5 C 4 H5 C 4 4.237 0.152 11.329 43 H6 C 4 H6 C 4 5.058 2.351 11.037 44 2H2* C 4 1H2' C 4 4.680 5.341 12.131 45 1H2* C 4 2H2' C 4 5.649 4.303 11.385 46 1H5* G 5 1H5' G 5 2.166 7.559 10.666 47 2H5* G 5 2H5' G 5 2.228 9.262 11.206 48 H4* G 5 H4' G 5 0.043 8.575 11.785 49 H3* G 5 H3' G 5 1.762 9.073 14.118 50 H1* G 5 H1' G 5 -0.881 6.569 13.947 51 H8 G 5 H8 G 5 2.785 4.967 13.767 52 H1 G 5 H1 G 5 -1.949 0.602 13.823 53 1H2 G 5 1H2 G 5 -4.080 3.388 13.648 54 2H2 G 5 2H2 G 5 -3.959 1.645 13.705 55 2H2* G 5 1H2' G 5 0.748 7.356 15.510 56 1H2* G 5 2H2' G 5 2.043 6.948 14.494 57 1H5* C 6 1H5' C 6 -2.541 8.170 13.643 58 2H5* C 6 2H5' C 6 -3.473 9.413 14.523 59 H4* C 6 H4' C 6 -4.741 7.277 14.618 60 H3* C 6 H3' C 6 -3.588 8.562 17.009 61 H1* C 6 H1' C 6 -4.490 5.016 16.227 62 1H4 C 6 1H4 C 6 1.712 2.506 17.447 63 2H4 C 6 2H4 C 6 0.618 1.139 17.407 64 H5 C 6 H5 C 6 0.935 4.824 17.192 65 H6 C 6 H6 C 6 -0.979 6.228 16.596 66 2H2* C 6 1H2' C 6 -4.331 6.197 18.158 67 1H2* C 6 2H2' C 6 -2.656 6.756 17.849 68 1H5* G 7 1H5' G 7 -6.664 5.635 16.944 69 2H5* G 7 2H5' G 7 -8.250 6.117 17.632 70 H4* G 7 H4' G 7 -8.000 3.786 18.125 71 H3* G 7 H3' G 7 -7.798 5.565 20.465 72 H1* G 7 H1' G 7 -6.281 2.183 19.739 73 H8 G 7 H8 G 7 -3.893 5.026 20.268 74 H1 G 7 H1 G 7 -0.974 -0.692 20.170 75 1H2 G 7 1H2 G 7 -4.227 -1.908 19.755 76 2H2 G 7 2H2 G 7 -2.537 -2.299 19.986 77 2H2* G 7 1H2' G 7 -6.490 3.500 21.629 78 1H2* G 7 2H2' G 7 -5.782 4.815 21.123 79 1H5* T 8 1H5' T 8 -8.092 1.062 20.084 80 2H5* T 8 2H5' T 8 -9.390 0.575 21.129 81 H4* T 8 H4' T 8 -7.810 -1.314 21.077 82 H3* T 8 H3' T 8 -8.790 -0.102 23.494 83 1H2* T 8 2H2' T 8 -6.759 0.717 23.918 84 2H2* T 8 1H2' T 8 -6.541 -0.946 24.609 85 H1* T 8 H1' T 8 -5.516 -1.715 22.650 86 H3 T 8 H3 T 8 -1.304 -0.135 23.756 87 1H5M T 8 1H5M T 8 -3.463 4.140 24.509 88 2H5M T 8 2H5M T 8 -2.716 4.342 22.937 89 3H5M T 8 3H5M T 8 -4.481 4.257 23.066 90 H6 T 8 H6 T 8 -5.491 1.959 22.703 91 1H5* G 9 1H5' G 9 -6.207 -3.604 23.336 92 2H5* G 9 2H5' G 9 -7.223 -4.935 23.744 93 H4* G 9 H4' G 9 -5.059 -5.660 24.370 94 H3* G 9 H3' G 9 -6.805 -5.259 26.577 95 H1* G 9 H1' G 9 -3.167 -4.572 26.422 96 H8 G 9 H8 G 9 -4.913 -1.063 26.807 97 H1 G 9 H1 G 9 1.473 -0.961 26.014 98 1H2 G 9 1H2 G 9 1.120 -4.458 25.744 99 2H2 G 9 2H2 G 9 2.232 -3.110 25.765 100 2H2* G 9 1H2' G 9 -4.772 -4.297 28.175 101 1H2* G 9 2H2' G 9 -5.765 -3.209 27.178 102 1H5* G 10 1H5' G 10 -2.506 -6.802 26.357 103 2H5* G 10 2H5' G 10 -2.564 -8.405 27.118 104 H4* G 10 H4' G 10 -0.335 -7.803 27.072 105 H3* G 10 H3' G 10 -1.513 -8.357 29.514 106 H1* G 10 H1' G 10 0.968 -5.496 29.119 107 H8 G 10 H8 G 10 -2.627 -4.018 29.415 108 H1 G 10 H1 G 10 2.166 0.262 29.126 109 1H2 G 10 1H2 G 10 4.172 -2.545 28.528 110 2H2 G 10 2H2 G 10 4.102 -0.805 28.683 111 H3T G 10 HO3 G 10 0.656 -8.546 30.269 112 2H2* G 10 1H2' G 10 -0.220 -6.420 30.936 113 1H2* G 10 2H2' G 10 -1.806 -6.095 30.181 114 1H5* C 1 1H5' C 1 7.090 6.162 28.330 115 2H5* C 1 2H5' C 1 7.584 5.869 30.008 116 H4* C 1 H4' C 1 9.354 4.321 29.157 117 H3* C 1 H3' C 1 8.755 5.308 26.661 118 H1* C 1 H1' C 1 7.153 1.950 27.710 119 1H4 C 1 1H4 C 1 0.706 3.673 28.377 120 2H4 C 1 2H4 C 1 0.795 1.942 28.595 121 H5 C 1 H5 C 1 2.705 5.096 28.123 122 H6 C 1 H6 C 1 5.091 5.079 27.858 123 H5T C 1 H5' C 1 9.263 6.837 27.941 124 2H2* C 1 1H2' C 1 7.375 3.152 25.754 125 1H2* C 1 2H2' C 1 6.623 4.613 26.428 126 1H5* C 2 1H5' C 2 8.446 0.155 28.437 127 2H5* C 2 2H5' C 2 9.935 -0.559 27.812 128 H4* C 2 H4' C 2 8.153 -2.144 27.528 129 H3* C 2 H3' C 2 9.626 -1.373 25.254 130 H1* C 2 H1' C 2 6.073 -2.234 25.461 131 1H4 C 2 1H4 C 2 2.228 3.318 25.021 132 2H4 C 2 2H4 C 2 1.159 1.978 25.383 133 H5 C 2 H5 C 2 4.690 3.020 24.791 134 H6 C 2 H6 C 2 6.452 1.417 24.781 135 2H2* C 2 1H2' C 2 7.404 -1.511 23.622 136 1H2* C 2 2H2' C 2 7.905 -0.024 24.438 137 1H5* A 3 1H5' A 3 5.717 -4.505 25.362 138 2H5* A 3 2H5' A 3 6.901 -5.870 25.041 139 H4* A 3 H4' A 3 4.831 -6.670 24.697 140 H3* A 3 H3' A 3 6.518 -6.389 22.627 141 H1* A 3 H1' A 3 2.985 -5.404 22.562 142 H8 A 3 H8 A 3 5.304 -2.262 22.010 143 1H6 A 3 1H6 A 3 0.282 1.240 22.829 144 2H6 A 3 2H6 A 3 2.013 1.218 22.576 145 H2 A 3 H2 A 3 -1.047 -3.027 22.942 146 2H2* A 3 1H2' A 3 4.553 -5.352 20.807 147 1H2* A 3 2H2' A 3 5.635 -4.395 21.744 148 1H5* C 4 1H5' C 4 2.750 -7.468 22.676 149 2H5* C 4 2H5' C 4 2.456 -9.122 22.186 150 H4* C 4 H4' C 4 0.250 -8.037 21.937 151 H3* C 4 H3' C 4 1.661 -9.040 19.580 152 H1* C 4 H1' C 4 -0.649 -6.224 19.993 153 1H4 C 4 1H4 C 4 2.546 -0.317 19.081 154 2H4 C 4 2H4 C 4 0.870 0.083 19.375 155 H5 C 4 H5 C 4 3.400 -2.628 19.083 156 H6 C 4 H6 C 4 2.800 -4.895 19.310 157 2H2* C 4 1H2' C 4 0.790 -7.119 18.200 158 1H2* C 4 2H2' C 4 2.127 -6.831 19.019 159 1H5* G 5 1H5' G 5 -2.640 -7.451 19.740 160 2H5* G 5 2H5' G 5 -3.563 -8.894 19.229 161 H4* G 5 H4' G 5 -5.021 -7.113 18.667 162 H3* G 5 H3' G 5 -3.909 -8.457 16.319 163 H1* G 5 H1' G 5 -4.664 -4.900 16.524 164 H8 G 5 H8 G 5 -0.751 -5.663 16.816 165 H1 G 5 H1 G 5 -2.120 0.624 16.695 166 1H2 G 5 1H2 G 5 -5.470 -0.433 16.798 167 2H2 G 5 2H2 G 5 -4.367 0.925 16.769 168 2H2* G 5 1H2' G 5 -3.730 -6.452 14.958 169 1H2* G 5 2H2' G 5 -2.450 -6.855 15.989 170 1H5* C 6 1H5' C 6 -6.951 -5.232 16.781 171 2H5* C 6 2H5' C 6 -8.406 -5.719 15.868 172 H4* C 6 H4' C 6 -8.221 -3.242 15.772 173 H3* C 6 H3' C 6 -7.962 -4.962 13.393 174 H1* C 6 H1' C 6 -6.691 -1.537 14.186 175 1H4 C 6 1H4 C 6 -0.147 -3.006 13.074 176 2H4 C 6 2H4 C 6 -0.263 -1.261 13.109 177 H5 C 6 H5 C 6 -2.104 -4.466 13.314 178 H6 C 6 H6 C 6 -4.485 -4.530 13.885 179 2H2* C 6 1H2' C 6 -7.190 -2.603 12.250 180 1H2* C 6 2H2' C 6 -6.144 -4.018 12.587 181 1H5* G 7 1H5' G 7 -8.810 -0.795 13.422 182 2H5* G 7 2H5' G 7 -10.364 -0.278 12.688 183 H4* G 7 H4' G 7 -8.793 1.478 12.233 184 H3* G 7 H3' G 7 -9.612 -0.090 9.878 185 H1* G 7 H1' G 7 -6.434 1.784 10.673 186 H8 G 7 H8 G 7 -6.115 -1.914 10.155 187 H1 G 7 H1 G 7 -0.438 1.079 10.316 188 1H2 G 7 1H2 G 7 -2.400 3.944 10.721 189 2H2 G 7 2H2 G 7 -0.791 3.291 10.504 190 2H2* G 7 1H2' G 7 -7.321 0.829 8.763 191 1H2* G 7 2H2' G 7 -7.519 -0.653 9.268 192 1H5* T 8 1H5' T 8 -7.238 3.748 10.299 193 2H5* T 8 2H5' T 8 -7.981 4.898 9.230 194 H4* T 8 H4' T 8 -5.595 5.505 9.340 195 H3* T 8 H3' T 8 -7.038 5.092 6.887 196 1H2* T 8 2H2' T 8 -5.860 3.239 6.493 197 2H2* T 8 1H2' T 8 -4.704 4.468 5.831 198 H1* T 8 H1' T 8 -3.463 4.487 7.817 199 H3 T 8 H3 T 8 -0.952 0.750 6.732 200 1H5M T 8 1H5M T 8 -5.182 -1.467 5.924 201 2H5M T 8 2H5M T 8 -4.722 -2.061 7.507 202 3H5M T 8 3H5M T 8 -6.103 -0.964 7.349 203 H6 T 8 H6 T 8 -5.588 1.494 7.724 204 1H5* G 9 1H5' G 9 -2.881 6.428 7.176 205 2H5* G 9 2H5' G 9 -2.942 8.105 6.773 206 H4* G 9 H4' G 9 -0.736 7.470 6.202 207 H3* G 9 H3' G 9 -2.350 8.153 3.967 208 H1* G 9 H1' G 9 0.250 5.520 4.149 209 H8 G 9 H8 G 9 -3.182 3.629 3.728 210 H1 G 9 H1 G 9 1.988 -0.118 4.532 211 1H2 G 9 1H2 G 9 3.719 2.942 4.766 212 2H2 G 9 2H2 G 9 3.846 1.199 4.769 213 2H2* G 9 1H2' G 9 -1.201 6.217 2.376 214 1H2* G 9 2H2' G 9 -2.652 5.876 3.350 215 1H5* G 10 1H5' G 10 2.056 6.988 4.246 216 2H5* G 10 2H5' G 10 2.920 8.371 3.541 217 H4* G 10 H4' G 10 4.436 6.620 3.570 218 H3* G 10 H3' G 10 3.831 7.806 1.149 219 H1* G 10 H1' G 10 4.228 4.031 1.447 220 H8 G 10 H8 G 10 0.438 4.885 1.127 221 H1 G 10 H1 G 10 1.894 -1.369 1.411 222 1H2 G 10 1H2 G 10 5.154 -0.221 2.003 223 2H2 G 10 2H2 G 10 4.098 -1.607 1.853 224 H3T G 10 HO3 G 10 5.732 6.745 0.399 225 2H2* G 10 1H2' G 10 3.811 5.515 -0.334 226 1H2* G 10 2H2' G 10 2.309 6.131 0.408 Start of MODEL 10 1 1H5* C 1 1H5' C 1 3.821 -10.317 1.117 2 2H5* C 1 2H5' C 1 2.644 -9.075 1.586 3 H4* C 1 H4' C 1 5.485 -8.590 0.567 4 H3* C 1 H3' C 1 4.911 -9.350 3.116 5 H1* C 1 H1' C 1 5.052 -5.687 2.353 6 1H4 C 1 1H4 C 1 -1.298 -3.431 2.056 7 2H4 C 1 2H4 C 1 -0.257 -2.031 1.951 8 H5 C 1 H5 C 1 -0.429 -5.742 2.116 9 H6 C 1 H6 C 1 1.583 -7.075 2.233 10 H5T C 1 H5' C 1 2.941 -8.225 -0.574 11 2H2* C 1 1H2' C 1 4.515 -6.921 4.241 12 1H2* C 1 2H2' C 1 3.188 -7.783 3.458 13 1H5* C 2 1H5' C 2 7.233 -5.365 2.234 14 2H5* C 2 2H5' C 2 8.784 -5.599 2.990 15 H4* C 2 H4' C 2 8.315 -3.184 2.888 16 H3* C 2 H3' C 2 8.996 -4.378 5.331 17 H1* C 2 H1' C 2 6.566 -1.693 4.766 18 1H4 C 2 1H4 C 2 0.282 -4.168 5.355 19 2H4 C 2 2H4 C 2 0.134 -2.436 5.136 20 H5 C 2 H5 C 2 2.499 -5.316 5.373 21 H6 C 2 H6 C 2 4.855 -4.970 5.311 22 2H2* C 2 1H2' C 2 7.198 -2.854 6.751 23 1H2* C 2 2H2' C 2 6.760 -4.432 6.091 24 1H5* A 3 1H5' A 3 7.472 0.405 4.948 25 2H5* A 3 2H5' A 3 9.165 0.959 5.361 26 H4* A 3 H4' A 3 7.700 2.662 5.711 27 H3* A 3 H3' A 3 9.007 1.507 7.783 28 H1* A 3 H1' A 3 5.552 2.604 7.710 29 H8 A 3 H8 A 3 5.716 -1.273 8.437 30 1H6 A 3 1H6 A 3 -0.414 -1.403 7.641 31 2H6 A 3 2H6 A 3 1.038 -2.349 7.885 32 H2 A 3 H2 A 3 0.866 2.880 7.474 33 2H2* A 3 1H2' A 3 6.765 1.759 9.561 34 1H2* A 3 2H2' A 3 7.174 0.330 8.670 35 1H5* C 4 1H5' C 4 6.452 4.475 7.636 36 2H5* C 4 2H5' C 4 7.132 6.018 8.090 37 H4* C 4 H4' C 4 4.699 6.364 8.306 38 H3* C 4 H3' C 4 6.392 6.441 10.700 39 H1* C 4 H1' C 4 2.903 5.404 10.227 40 1H4 C 4 1H4 C 4 2.255 -1.246 11.343 41 2H4 C 4 2H4 C 4 0.635 -0.645 11.086 42 H5 C 4 H5 C 4 4.258 0.191 11.261 43 H6 C 4 H6 C 4 5.013 2.412 10.956 44 2H2* C 4 1H2' C 4 4.550 5.394 12.041 45 1H2* C 4 2H2' C 4 5.548 4.383 11.295 46 1H5* G 5 1H5' G 5 1.994 7.555 10.496 47 2H5* G 5 2H5' G 5 1.948 9.254 11.046 48 H4* G 5 H4' G 5 -0.218 8.416 11.484 49 H3* G 5 H3' G 5 1.190 9.233 13.840 50 H1* G 5 H1' G 5 -1.040 6.440 13.713 51 H8 G 5 H8 G 5 2.676 4.961 13.685 52 H1 G 5 H1 G 5 -1.935 0.466 13.819 53 1H2 G 5 1H2 G 5 -4.142 3.194 13.651 54 2H2 G 5 2H2 G 5 -3.976 1.456 13.734 55 2H2* G 5 1H2' G 5 0.555 7.331 15.283 56 1H2* G 5 2H2' G 5 1.866 6.987 14.256 57 1H5* C 6 1H5' C 6 -2.928 7.819 13.346 58 2H5* C 6 2H5' C 6 -4.446 8.723 13.367 59 H4* C 6 H4' C 6 -5.210 7.136 14.690 60 H3* C 6 H3' C 6 -3.579 8.663 16.695 61 H1* C 6 H1' C 6 -4.747 5.092 16.294 62 1H4 C 6 1H4 C 6 1.428 2.503 17.311 63 2H4 C 6 2H4 C 6 0.315 1.154 17.367 64 H5 C 6 H5 C 6 0.700 4.806 16.929 65 H6 C 6 H6 C 6 -1.217 6.225 16.368 66 2H2* C 6 1H2' C 6 -4.481 6.411 18.064 67 1H2* C 6 2H2' C 6 -2.801 6.868 17.693 68 1H5* G 7 1H5' G 7 -6.794 6.068 17.020 69 2H5* G 7 2H5' G 7 -8.324 6.635 17.774 70 H4* G 7 H4' G 7 -8.125 4.278 18.251 71 H3* G 7 H3' G 7 -7.818 6.055 20.577 72 H1* G 7 H1' G 7 -6.363 2.648 19.808 73 H8 G 7 H8 G 7 -3.943 5.470 20.280 74 H1 G 7 H1 G 7 -1.081 -0.276 20.151 75 1H2 G 7 1H2 G 7 -4.345 -1.459 19.714 76 2H2 G 7 2H2 G 7 -2.661 -1.868 19.947 77 2H2* G 7 1H2' G 7 -6.516 3.959 21.705 78 1H2* G 7 2H2' G 7 -5.806 5.267 21.192 79 1H5* T 8 1H5' T 8 -8.188 1.570 20.198 80 2H5* T 8 2H5' T 8 -9.459 1.083 21.277 81 H4* T 8 H4' T 8 -7.895 -0.822 21.164 82 H3* T 8 H3' T 8 -8.777 0.379 23.634 83 1H2* T 8 2H2' T 8 -6.717 1.150 24.000 84 2H2* T 8 1H2' T 8 -6.529 -0.533 24.638 85 H1* T 8 H1' T 8 -5.541 -1.258 22.638 86 H3 T 8 H3 T 8 -1.317 0.279 23.736 87 1H5M T 8 1H5M T 8 -3.417 4.564 24.511 88 2H5M T 8 2H5M T 8 -2.686 4.765 22.932 89 3H5M T 8 3H5M T 8 -4.449 4.698 23.080 90 H6 T 8 H6 T 8 -5.498 2.409 22.748 91 1H5* G 9 1H5' G 9 -6.304 -3.162 23.171 92 2H5* G 9 2H5' G 9 -7.359 -4.467 23.569 93 H4* G 9 H4' G 9 -5.206 -5.336 24.008 94 H3* G 9 H3' G 9 -6.807 -4.979 26.328 95 H1* G 9 H1' G 9 -3.155 -4.485 26.018 96 H8 G 9 H8 G 9 -4.685 -0.894 26.595 97 H1 G 9 H1 G 9 1.703 -1.149 25.851 98 1H2 G 9 1H2 G 9 1.138 -4.607 25.422 99 2H2 G 9 2H2 G 9 2.331 -3.330 25.476 100 2H2* G 9 1H2' G 9 -4.656 -4.209 27.866 101 1H2* G 9 2H2' G 9 -5.627 -3.014 26.969 102 1H5* G 10 1H5' G 10 -2.616 -6.741 25.814 103 2H5* G 10 2H5' G 10 -2.773 -8.394 26.445 104 H4* G 10 H4' G 10 -0.496 -7.944 26.354 105 H3* G 10 H3' G 10 -1.633 -8.655 28.771 106 H1* G 10 H1' G 10 0.999 -5.905 28.567 107 H8 G 10 H8 G 10 -2.520 -4.275 29.031 108 H1 G 10 H1 G 10 2.489 -0.244 29.078 109 1H2 G 10 1H2 G 10 4.372 -3.136 28.426 110 2H2 G 10 2H2 G 10 4.397 -1.408 28.684 111 H3T G 10 HO3 G 10 1.111 -8.113 28.208 112 2H2* G 10 1H2' G 10 -0.177 -6.944 30.320 113 1H2* G 10 2H2' G 10 -1.765 -6.456 29.667 114 1H5* C 1 1H5' C 1 9.282 5.792 29.702 115 2H5* C 1 2H5' C 1 7.579 5.559 29.267 116 H4* C 1 H4' C 1 9.510 3.396 30.241 117 H3* C 1 H3' C 1 9.544 4.403 27.714 118 H1* C 1 H1' C 1 7.403 1.421 28.398 119 1H4 C 1 1H4 C 1 0.991 3.495 28.597 120 2H4 C 1 2H4 C 1 0.973 1.747 28.668 121 H5 C 1 H5 C 1 3.095 4.806 28.639 122 H6 C 1 H6 C 1 5.509 4.636 28.574 123 H5T C 1 H5' C 1 8.737 4.985 31.792 124 2H2* C 1 1H2' C 1 7.744 2.771 26.539 125 1H2* C 1 2H2' C 1 7.226 4.247 27.359 126 1H5* C 2 1H5' C 2 8.897 -0.197 28.481 127 2H5* C 2 2H5' C 2 10.261 -0.959 27.708 128 H4* C 2 H4' C 2 8.369 -2.546 27.769 129 H3* C 2 H3' C 2 9.708 -2.017 25.368 130 H1* C 2 H1' C 2 6.122 -2.593 25.826 131 1H4 C 2 1H4 C 2 2.790 3.305 25.399 132 2H4 C 2 2H4 C 2 1.594 2.028 25.524 133 H5 C 2 H5 C 2 5.242 2.812 25.381 134 H6 C 2 H6 C 2 6.864 1.052 25.413 135 2H2* C 2 1H2' C 2 7.389 -2.056 23.879 136 1H2* C 2 2H2' C 2 8.015 -0.557 24.579 137 1H5* A 3 1H5' A 3 5.519 -4.742 25.460 138 2H5* A 3 2H5' A 3 6.347 -6.258 24.916 139 H4* A 3 H4' A 3 4.109 -6.332 24.377 140 H3* A 3 H3' A 3 6.035 -6.301 22.467 141 H1* A 3 H1' A 3 2.891 -4.676 22.463 142 H8 A 3 H8 A 3 5.457 -1.743 21.929 143 1H6 A 3 1H6 A 3 0.644 2.092 22.807 144 2H6 A 3 2H6 A 3 2.384 2.000 22.582 145 H2 A 3 H2 A 3 -0.932 -2.064 22.812 146 2H2* A 3 1H2' A 3 4.529 -4.678 20.732 147 1H2* A 3 2H2' A 3 5.701 -3.976 21.821 148 1H5* C 4 1H5' C 4 2.272 -6.585 23.077 149 2H5* C 4 2H5' C 4 1.063 -7.640 23.764 150 H4* C 4 H4' C 4 -0.320 -7.366 22.028 151 H3* C 4 H3' C 4 1.858 -8.402 20.249 152 H1* C 4 H1' C 4 -0.720 -5.760 19.878 153 1H4 C 4 1H4 C 4 2.519 0.141 19.145 154 2H4 C 4 2H4 C 4 0.840 0.546 19.417 155 H5 C 4 H5 C 4 3.373 -2.188 19.197 156 H6 C 4 H6 C 4 2.768 -4.397 19.286 157 2H2* C 4 1H2' C 4 0.911 -6.892 18.478 158 1H2* C 4 2H2' C 4 2.150 -6.382 19.365 159 1H5* G 5 1H5' G 5 -2.446 -7.363 19.838 160 2H5* G 5 2H5' G 5 -3.240 -8.885 19.338 161 H4* G 5 H4' G 5 -4.797 -7.183 18.742 162 H3* G 5 H3' G 5 -3.651 -8.551 16.432 163 H1* G 5 H1' G 5 -4.537 -5.008 16.538 164 H8 G 5 H8 G 5 -0.620 -5.700 16.854 165 H1 G 5 H1 G 5 -2.022 0.575 16.638 166 1H2 G 5 1H2 G 5 -5.360 -0.483 16.793 167 2H2 G 5 2H2 G 5 -4.257 0.874 16.753 168 2H2* G 5 1H2' G 5 -3.576 -6.583 15.008 169 1H2* G 5 2H2' G 5 -2.278 -6.926 16.031 170 1H5* C 6 1H5' C 6 -6.809 -5.434 16.809 171 2H5* C 6 2H5' C 6 -8.256 -5.975 15.912 172 H4* C 6 H4' C 6 -8.130 -3.500 15.768 173 H3* C 6 H3' C 6 -7.818 -5.239 13.406 174 H1* C 6 H1' C 6 -6.639 -1.771 14.175 175 1H4 C 6 1H4 C 6 -0.069 -3.095 13.041 176 2H4 C 6 2H4 C 6 -0.225 -1.352 13.067 177 H5 C 6 H5 C 6 -1.990 -4.599 13.306 178 H6 C 6 H6 C 6 -4.366 -4.712 13.889 179 2H2* C 6 1H2' C 6 -7.118 -2.859 12.248 180 1H2* C 6 2H2' C 6 -6.036 -4.245 12.586 181 1H5* G 7 1H5' G 7 -8.784 -1.103 13.415 182 2H5* G 7 2H5' G 7 -10.349 -0.625 12.677 183 H4* G 7 H4' G 7 -8.816 1.167 12.224 184 H3* G 7 H3' G 7 -9.598 -0.420 9.870 185 H1* G 7 H1' G 7 -6.467 1.531 10.667 186 H8 G 7 H8 G 7 -6.055 -2.157 10.148 187 H1 G 7 H1 G 7 -0.457 0.982 10.279 188 1H2 G 7 1H2 G 7 -2.490 3.795 10.695 189 2H2 G 7 2H2 G 7 -0.867 3.185 10.462 190 2H2* G 7 1H2' G 7 -7.329 0.556 8.755 191 1H2* G 7 2H2' G 7 -7.491 -0.931 9.260 192 1H5* T 8 1H5' T 8 -7.317 3.475 10.291 193 2H5* T 8 2H5' T 8 -8.089 4.607 9.223 194 H4* T 8 H4' T 8 -5.717 5.270 9.331 195 H3* T 8 H3' T 8 -7.154 4.824 6.880 196 1H2* T 8 2H2' T 8 -5.932 3.000 6.483 197 2H2* T 8 1H2' T 8 -4.809 4.259 5.818 198 H1* T 8 H1' T 8 -3.565 4.307 7.802 199 H3 T 8 H3 T 8 -0.966 0.634 6.700 200 1H5M T 8 1H5M T 8 -4.660 -2.270 7.495 201 2H5M T 8 2H5M T 8 -6.069 -1.208 7.342 202 3H5M T 8 3H5M T 8 -5.141 -1.689 5.914 203 H6 T 8 H6 T 8 -5.614 1.262 7.714 204 1H5* G 9 1H5' G 9 -3.029 6.263 7.171 205 2H5* G 9 2H5' G 9 -3.130 7.937 6.764 206 H4* G 9 H4' G 9 -0.908 7.351 6.199 207 H3* G 9 H3' G 9 -2.537 8.002 3.965 208 H1* G 9 H1' G 9 0.123 5.431 4.141 209 H8 G 9 H8 G 9 -3.262 3.459 3.720 210 H1 G 9 H1 G 9 2.006 -0.161 4.472 211 1H2 G 9 1H2 G 9 3.660 2.942 4.705 212 2H2 G 9 2H2 G 9 3.832 1.202 4.697 213 2H2* G 9 1H2' G 9 -1.343 6.098 2.369 214 1H2* G 9 2H2' G 9 -2.785 5.720 3.343 215 1H5* G 10 1H5' G 10 1.898 6.936 4.242 216 2H5* G 10 2H5' G 10 2.729 8.342 3.543 217 H4* G 10 H4' G 10 4.283 6.624 3.568 218 H3* G 10 H3' G 10 3.656 7.814 1.151 219 H1* G 10 H1' G 10 4.140 4.047 1.423 220 H8 G 10 H8 G 10 0.330 4.817 1.116 221 H1 G 10 H1 G 10 1.929 -1.405 1.349 222 1H2 G 10 1H2 G 10 5.165 -0.187 1.929 223 2H2 G 10 2H2 G 10 4.140 -1.595 1.778 224 H3T G 10 HO3 G 10 5.773 7.226 1.880 225 2H2* G 10 1H2' G 10 3.696 5.535 -0.347 226 1H2* G 10 2H2' G 10 2.176 6.109 0.395 Start of MODEL 11 1 1H5* C 1 1H5' C 1 2.414 -9.116 1.649 2 2H5* C 1 2H5' C 1 2.876 -9.164 -0.062 3 H4* C 1 H4' C 1 5.223 -8.625 0.551 4 H3* C 1 H3' C 1 4.698 -9.347 3.130 5 H1* C 1 H1' C 1 4.846 -5.697 2.308 6 1H4 C 1 1H4 C 1 -1.495 -3.409 2.077 7 2H4 C 1 2H4 C 1 -0.447 -2.017 1.936 8 H5 C 1 H5 C 1 -0.637 -5.724 2.166 9 H6 C 1 H6 C 1 1.368 -7.067 2.265 10 H5T C 1 H5' C 1 4.373 -10.810 0.489 11 2H2* C 1 1H2' C 1 4.336 -6.903 4.220 12 1H2* C 1 2H2' C 1 2.989 -7.766 3.474 13 1H5* C 2 1H5' C 2 7.025 -5.386 2.137 14 2H5* C 2 2H5' C 2 8.588 -5.617 2.870 15 H4* C 2 H4' C 2 8.123 -3.201 2.746 16 H3* C 2 H3' C 2 8.849 -4.373 5.188 17 H1* C 2 H1' C 2 6.420 -1.679 4.642 18 1H4 C 2 1H4 C 2 0.138 -4.123 5.362 19 2H4 C 2 2H4 C 2 -0.006 -2.393 5.123 20 H5 C 2 H5 C 2 2.352 -5.278 5.371 21 H6 C 2 H6 C 2 4.706 -4.943 5.261 22 2H2* C 2 1H2' C 2 7.090 -2.821 6.627 23 1H2* C 2 2H2' C 2 6.630 -4.404 5.995 24 1H5* A 3 1H5' A 3 7.338 0.417 4.781 25 2H5* A 3 2H5' A 3 9.046 0.961 5.146 26 H4* A 3 H4' A 3 7.606 2.678 5.517 27 H3* A 3 H3' A 3 8.951 1.523 7.566 28 H1* A 3 H1' A 3 5.501 2.658 7.567 29 H8 A 3 H8 A 3 5.650 -1.214 8.326 30 1H6 A 3 1H6 A 3 -0.483 -1.312 7.589 31 2H6 A 3 2H6 A 3 0.969 -2.262 7.822 32 H2 A 3 H2 A 3 0.813 2.967 7.419 33 2H2* A 3 1H2' A 3 6.755 1.819 9.396 34 1H2* A 3 2H2' A 3 7.127 0.378 8.510 35 1H5* C 4 1H5' C 4 6.425 4.514 7.445 36 2H5* C 4 2H5' C 4 7.144 6.047 7.869 37 H4* C 4 H4' C 4 4.728 6.447 8.153 38 H3* C 4 H3' C 4 6.501 6.483 10.489 39 H1* C 4 H1' C 4 2.968 5.537 10.130 40 1H4 C 4 1H4 C 4 2.236 -1.103 11.281 41 2H4 C 4 2H4 C 4 0.618 -0.488 11.054 42 H5 C 4 H5 C 4 4.250 0.301 11.150 43 H6 C 4 H6 C 4 5.033 2.505 10.823 44 2H2* C 4 1H2' C 4 4.667 5.511 11.893 45 1H2* C 4 2H2' C 4 5.619 4.465 11.130 46 1H5* G 5 1H5' G 5 2.132 7.702 10.533 47 2H5* G 5 2H5' G 5 2.214 9.420 11.025 48 H4* G 5 H4' G 5 0.059 8.776 11.718 49 H3* G 5 H3' G 5 1.867 9.226 14.001 50 H1* G 5 H1' G 5 -0.817 6.758 13.887 51 H8 G 5 H8 G 5 2.838 5.142 13.600 52 H1 G 5 H1 G 5 -1.897 0.792 13.728 53 1H2 G 5 1H2 G 5 -4.033 3.574 13.550 54 2H2 G 5 2H2 G 5 -3.907 1.830 13.601 55 2H2* G 5 1H2' G 5 0.857 7.521 15.414 56 1H2* G 5 2H2' G 5 2.122 7.112 14.366 57 1H5* C 6 1H5' C 6 -2.436 8.411 13.641 58 2H5* C 6 2H5' C 6 -3.337 9.654 14.555 59 H4* C 6 H4' C 6 -4.624 7.536 14.645 60 H3* C 6 H3' C 6 -3.405 8.752 17.043 61 H1* C 6 H1' C 6 -4.376 5.238 16.195 62 1H4 C 6 1H4 C 6 1.796 2.608 17.274 63 2H4 C 6 2H4 C 6 0.688 1.256 17.243 64 H5 C 6 H5 C 6 1.057 4.949 17.051 65 H6 C 6 H6 C 6 -0.845 6.390 16.532 66 2H2* C 6 1H2' C 6 -4.171 6.377 18.153 67 1H2* C 6 2H2' C 6 -2.493 6.914 17.828 68 1H5* G 7 1H5' G 7 -6.527 5.884 16.947 69 2H5* G 7 2H5' G 7 -8.095 6.375 17.667 70 H4* G 7 H4' G 7 -7.877 4.029 18.107 71 H3* G 7 H3' G 7 -7.625 5.768 20.472 72 H1* G 7 H1' G 7 -6.185 2.369 19.680 73 H8 G 7 H8 G 7 -3.718 5.139 20.223 74 H1 G 7 H1 G 7 -0.940 -0.650 20.044 75 1H2 G 7 1H2 G 7 -4.232 -1.784 19.692 76 2H2 G 7 2H2 G 7 -2.549 -2.219 19.887 77 2H2* G 7 1H2' G 7 -6.343 3.663 21.591 78 1H2* G 7 2H2' G 7 -5.609 4.969 21.091 79 1H5* T 8 1H5' T 8 -8.012 1.283 20.031 80 2H5* T 8 2H5' T 8 -9.314 0.811 21.078 81 H4* T 8 H4' T 8 -7.772 -1.110 20.993 82 H3* T 8 H3' T 8 -8.720 0.094 23.426 83 1H2* T 8 2H2' T 8 -6.670 0.868 23.856 84 2H2* T 8 1H2' T 8 -6.497 -0.808 24.526 85 H1* T 8 H1' T 8 -5.485 -1.575 22.558 86 H3 T 8 H3 T 8 -1.248 -0.096 23.715 87 1H5M T 8 1H5M T 8 -4.321 4.366 23.035 88 2H5M T 8 2H5M T 8 -3.282 4.219 24.460 89 3H5M T 8 3H5M T 8 -2.557 4.411 22.876 90 H6 T 8 H6 T 8 -5.380 2.093 22.647 91 1H5* G 9 1H5' G 9 -6.194 -3.472 23.204 92 2H5* G 9 2H5' G 9 -7.262 -4.774 23.587 93 H4* G 9 H4' G 9 -5.129 -5.595 24.207 94 H3* G 9 H3' G 9 -6.875 -5.164 26.404 95 H1* G 9 H1' G 9 -3.213 -4.616 26.297 96 H8 G 9 H8 G 9 -4.833 -1.043 26.674 97 H1 G 9 H1 G 9 1.561 -1.141 25.967 98 1H2 G 9 1H2 G 9 1.125 -4.632 25.767 99 2H2 G 9 2H2 G 9 2.268 -3.309 25.769 100 2H2* G 9 1H2' G 9 -4.829 -4.294 28.034 101 1H2* G 9 2H2' G 9 -5.766 -3.157 27.033 102 1H5* G 10 1H5' G 10 -2.642 -6.873 26.221 103 2H5* G 10 2H5' G 10 -2.791 -8.494 26.934 104 H4* G 10 H4' G 10 -0.529 -7.994 26.944 105 H3* G 10 H3' G 10 -1.768 -8.576 29.346 106 H1* G 10 H1' G 10 0.809 -5.784 29.087 107 H8 G 10 H8 G 10 -2.750 -4.208 29.328 108 H1 G 10 H1 G 10 2.148 -0.052 29.117 109 1H2 G 10 1H2 G 10 4.103 -2.925 28.620 110 2H2 G 10 2H2 G 10 4.078 -1.182 28.754 111 H3T G 10 HO3 G 10 0.311 -9.327 28.662 112 2H2* G 10 1H2' G 10 -0.446 -6.721 30.846 113 1H2* G 10 2H2' G 10 -2.005 -6.320 30.073 114 1H5* C 1 1H5' C 1 8.616 6.253 29.697 115 2H5* C 1 2H5' C 1 6.968 5.913 29.133 116 H4* C 1 H4' C 1 8.941 3.890 30.299 117 H3* C 1 H3' C 1 9.065 4.809 27.741 118 H1* C 1 H1' C 1 7.025 1.747 28.420 119 1H4 C 1 1H4 C 1 0.526 3.550 28.302 120 2H4 C 1 2H4 C 1 0.575 1.806 28.429 121 H5 C 1 H5 C 1 2.570 4.947 28.350 122 H6 C 1 H6 C 1 4.987 4.879 28.380 123 H5T C 1 H5' C 1 6.591 5.076 31.286 124 2H2* C 1 1H2' C 1 7.409 3.042 26.535 125 1H2* C 1 2H2' C 1 6.778 4.522 27.265 126 1H5* C 2 1H5' C 2 8.601 0.217 28.654 127 2H5* C 2 2H5' C 2 10.046 -0.495 27.991 128 H4* C 2 H4' C 2 8.258 -2.193 28.005 129 H3* C 2 H3' C 2 9.663 -1.649 25.643 130 H1* C 2 H1' C 2 6.098 -2.420 25.981 131 1H4 C 2 1H4 C 2 2.435 3.218 25.111 132 2H4 C 2 2H4 C 2 1.309 1.884 25.267 133 H5 C 2 H5 C 2 4.910 2.881 25.256 134 H6 C 2 H6 C 2 6.629 1.239 25.439 135 2H2* C 2 1H2' C 2 7.417 -1.857 24.073 136 1H2* C 2 2H2' C 2 7.926 -0.310 24.755 137 1H5* A 3 1H5' A 3 5.619 -4.658 25.804 138 2H5* A 3 2H5' A 3 6.703 -6.095 25.479 139 H4* A 3 H4' A 3 4.554 -6.648 25.002 140 H3* A 3 H3' A 3 6.409 -6.484 23.039 141 H1* A 3 H1' A 3 2.961 -5.369 22.874 142 H8 A 3 H8 A 3 5.393 -2.315 22.280 143 1H6 A 3 1H6 A 3 0.428 1.351 22.680 144 2H6 A 3 2H6 A 3 2.172 1.282 22.528 145 H2 A 3 H2 A 3 -1.015 -2.873 22.875 146 2H2* A 3 1H2' A 3 4.560 -5.402 21.128 147 1H2* A 3 2H2' A 3 5.661 -4.468 22.085 148 1H5* C 4 1H5' C 4 2.602 -7.413 22.946 149 2H5* C 4 2H5' C 4 2.285 -9.066 22.482 150 H4* C 4 H4' C 4 0.124 -7.933 22.106 151 H3* C 4 H3' C 4 1.614 -9.012 19.823 152 H1* C 4 H1' C 4 -0.644 -6.135 20.095 153 1H4 C 4 1H4 C 4 2.731 -0.334 19.191 154 2H4 C 4 2H4 C 4 1.047 0.106 19.339 155 H5 C 4 H5 C 4 3.534 -2.668 19.348 156 H6 C 4 H6 C 4 2.848 -4.917 19.616 157 2H2* C 4 1H2' C 4 0.831 -7.103 18.403 158 1H2* C 4 2H2' C 4 2.176 -6.843 19.247 159 1H5* G 5 1H5' G 5 -2.631 -7.370 19.783 160 2H5* G 5 2H5' G 5 -3.640 -8.713 19.166 161 H4* G 5 H4' G 5 -4.857 -6.746 18.683 162 H3* G 5 H3' G 5 -4.017 -8.249 16.371 163 H1* G 5 H1' G 5 -4.117 -4.660 16.538 164 H8 G 5 H8 G 5 -0.277 -5.681 16.626 165 H1 G 5 H1 G 5 -1.385 0.672 16.541 166 1H2 G 5 1H2 G 5 -4.761 -0.265 16.691 167 2H2 G 5 2H2 G 5 -3.614 1.051 16.611 168 2H2* G 5 1H2' G 5 -3.345 -6.330 14.970 169 1H2* G 5 2H2' G 5 -2.100 -6.845 16.014 170 1H5* C 6 1H5' C 6 -6.444 -4.697 16.971 171 2H5* C 6 2H5' C 6 -8.199 -4.499 17.119 172 H4* C 6 H4' C 6 -7.985 -2.816 15.649 173 H3* C 6 H3' C 6 -7.478 -5.051 13.657 174 H1* C 6 H1' C 6 -6.411 -1.439 14.086 175 1H4 C 6 1H4 C 6 0.130 -2.870 13.034 176 2H4 C 6 2H4 C 6 -0.005 -1.126 13.019 177 H5 C 6 H5 C 6 -1.801 -4.341 13.347 178 H6 C 6 H6 C 6 -4.171 -4.412 13.885 179 2H2* C 6 1H2' C 6 -6.978 -2.647 12.315 180 1H2* C 6 2H2' C 6 -5.858 -3.987 12.632 181 1H5* G 7 1H5' G 7 -8.659 -1.099 13.377 182 2H5* G 7 2H5' G 7 -10.263 -0.710 12.666 183 H4* G 7 H4' G 7 -8.822 1.165 12.205 184 H3* G 7 H3' G 7 -9.597 -0.418 9.863 185 H1* G 7 H1' G 7 -6.464 1.575 10.579 186 H8 G 7 H8 G 7 -6.029 -2.122 10.093 187 H1 G 7 H1 G 7 -0.442 1.051 10.229 188 1H2 G 7 1H2 G 7 -2.476 3.860 10.624 189 2H2 G 7 2H2 G 7 -0.851 3.247 10.413 190 2H2* G 7 1H2' G 7 -7.361 0.564 8.699 191 1H2* G 7 2H2' G 7 -7.490 -0.915 9.228 192 1H5* T 8 1H5' T 8 -7.352 3.521 10.240 193 2H5* T 8 2H5' T 8 -8.149 4.634 9.170 194 H4* T 8 H4' T 8 -5.783 5.326 9.249 195 H3* T 8 H3' T 8 -7.232 4.852 6.810 196 1H2* T 8 2H2' T 8 -6.002 3.030 6.424 197 2H2* T 8 1H2' T 8 -4.889 4.287 5.740 198 H1* T 8 H1' T 8 -3.632 4.362 7.715 199 H3 T 8 H3 T 8 -1.015 0.701 6.628 200 1H5M T 8 1H5M T 8 -5.162 -1.656 5.851 201 2H5M T 8 2H5M T 8 -4.690 -2.224 7.439 202 3H5M T 8 3H5M T 8 -6.107 -1.173 7.267 203 H6 T 8 H6 T 8 -5.662 1.303 7.660 204 1H5* G 9 1H5' G 9 -3.114 6.315 7.057 205 2H5* G 9 2H5' G 9 -3.224 7.985 6.637 206 H4* G 9 H4' G 9 -1.005 7.400 6.057 207 H3* G 9 H3' G 9 -2.652 8.029 3.831 208 H1* G 9 H1' G 9 0.012 5.462 4.009 209 H8 G 9 H8 G 9 -3.372 3.483 3.620 210 H1 G 9 H1 G 9 1.897 -0.125 4.408 211 1H2 G 9 1H2 G 9 3.551 2.979 4.612 212 2H2 G 9 2H2 G 9 3.723 1.239 4.620 213 2H2* G 9 1H2' G 9 -1.469 6.110 2.243 214 1H2* G 9 2H2' G 9 -2.904 5.741 3.232 215 1H5* G 10 1H5' G 10 1.786 6.968 4.088 216 2H5* G 10 2H5' G 10 2.616 8.360 3.360 217 H4* G 10 H4' G 10 4.163 6.636 3.401 218 H3* G 10 H3' G 10 3.525 7.795 0.972 219 H1* G 10 H1' G 10 4.000 4.031 1.293 220 H8 G 10 H8 G 10 0.191 4.807 0.990 221 H1 G 10 H1 G 10 1.774 -1.416 1.292 222 1H2 G 10 1H2 G 10 5.017 -0.201 1.847 223 2H2 G 10 2H2 G 10 3.988 -1.608 1.713 224 H3T G 10 HO3 G 10 5.644 7.207 1.699 225 2H2* G 10 1H2' G 10 3.548 5.496 -0.494 226 1H2* G 10 2H2' G 10 2.034 6.085 0.249 Start of MODEL 12 1 1H5* C 1 1H5' C 1 3.638 -10.354 1.218 2 2H5* C 1 2H5' C 1 2.459 -9.101 1.647 3 H4* C 1 H4' C 1 5.289 -8.643 0.584 4 H3* C 1 H3' C 1 4.756 -9.358 3.152 5 H1* C 1 H1' C 1 4.892 -5.707 2.333 6 1H4 C 1 1H4 C 1 -1.456 -3.443 2.082 7 2H4 C 1 2H4 C 1 -0.413 -2.047 1.943 8 H5 C 1 H5 C 1 -0.590 -5.755 2.171 9 H6 C 1 H6 C 1 1.420 -7.090 2.280 10 H5T C 1 H5' C 1 3.654 -9.443 -0.903 11 2H2* C 1 1H2' C 1 4.381 -6.913 4.245 12 1H2* C 1 2H2' C 1 3.040 -7.783 3.494 13 1H5* C 2 1H5' C 2 7.070 -5.388 2.172 14 2H5* C 2 2H5' C 2 8.632 -5.613 2.909 15 H4* C 2 H4' C 2 8.161 -3.199 2.783 16 H3* C 2 H3' C 2 8.879 -4.368 5.229 17 H1* C 2 H1' C 2 6.445 -1.681 4.671 18 1H4 C 2 1H4 C 2 0.167 -4.139 5.368 19 2H4 C 2 2H4 C 2 0.019 -2.410 5.127 20 H5 C 2 H5 C 2 2.383 -5.289 5.384 21 H6 C 2 H6 C 2 4.738 -4.948 5.284 22 2H2* C 2 1H2' C 2 7.110 -2.819 6.659 23 1H2* C 2 2H2' C 2 6.656 -4.403 6.027 24 1H5* A 3 1H5' A 3 7.358 0.418 4.810 25 2H5* A 3 2H5' A 3 9.065 0.964 5.181 26 H4* A 3 H4' A 3 7.623 2.681 5.544 27 H3* A 3 H3' A 3 8.959 1.529 7.600 28 H1* A 3 H1' A 3 5.508 2.660 7.586 29 H8 A 3 H8 A 3 5.657 -1.211 8.346 30 1H6 A 3 1H6 A 3 -0.473 -1.315 7.588 31 2H6 A 3 2H6 A 3 0.978 -2.263 7.827 32 H2 A 3 H2 A 3 0.820 2.965 7.415 33 2H2* A 3 1H2' A 3 6.755 1.822 9.420 34 1H2* A 3 2H2' A 3 7.131 0.382 8.536 35 1H5* C 4 1H5' C 4 6.431 4.517 7.469 36 2H5* C 4 2H5' C 4 7.147 6.051 7.895 37 H4* C 4 H4' C 4 4.730 6.450 8.170 38 H3* C 4 H3' C 4 6.494 6.485 10.514 39 H1* C 4 H1' C 4 2.963 5.538 10.139 40 1H4 C 4 1H4 C 4 2.229 -1.103 11.285 41 2H4 C 4 2H4 C 4 0.612 -0.488 11.052 42 H5 C 4 H5 C 4 4.244 0.302 11.163 43 H6 C 4 H6 C 4 5.027 2.507 10.840 44 2H2* C 4 1H2' C 4 4.654 5.512 11.910 45 1H2* C 4 2H2' C 4 5.610 4.467 11.151 46 1H5* G 5 1H5' G 5 2.121 7.700 10.548 47 2H5* G 5 2H5' G 5 2.203 9.419 11.038 48 H4* G 5 H4' G 5 0.047 8.780 11.729 49 H3* G 5 H3' G 5 1.851 9.226 14.015 50 H1* G 5 H1' G 5 -0.834 6.760 13.895 51 H8 G 5 H8 G 5 2.818 5.138 13.608 52 H1 G 5 H1 G 5 -1.926 0.798 13.722 53 1H2 G 5 1H2 G 5 -4.057 3.585 13.549 54 2H2 G 5 2H2 G 5 -3.935 1.840 13.596 55 2H2* G 5 1H2' G 5 0.840 7.518 15.425 56 1H2* G 5 2H2' G 5 2.105 7.109 14.375 57 1H5* C 6 1H5' C 6 -2.456 8.413 13.654 58 2H5* C 6 2H5' C 6 -3.355 9.655 14.570 59 H4* C 6 H4' C 6 -4.645 7.538 14.657 60 H3* C 6 H3' C 6 -3.422 8.748 17.057 61 H1* C 6 H1' C 6 -4.397 5.238 16.203 62 1H4 C 6 1H4 C 6 1.774 2.599 17.267 63 2H4 C 6 2H4 C 6 0.665 1.248 17.235 64 H5 C 6 H5 C 6 1.036 4.940 17.053 65 H6 C 6 H6 C 6 -0.864 6.385 16.539 66 2H2* C 6 1H2' C 6 -4.189 6.371 18.163 67 1H2* C 6 2H2' C 6 -2.510 6.908 17.837 68 1H5* G 7 1H5' G 7 -6.546 5.878 16.966 69 2H5* G 7 2H5' G 7 -8.113 6.373 17.687 70 H4* G 7 H4' G 7 -7.900 4.027 18.130 71 H3* G 7 H3' G 7 -7.637 5.766 20.492 72 H1* G 7 H1' G 7 -6.207 2.364 19.700 73 H8 G 7 H8 G 7 -3.732 5.128 20.229 74 H1 G 7 H1 G 7 -0.965 -0.666 20.037 75 1H2 G 7 1H2 G 7 -4.261 -1.794 19.700 76 2H2 G 7 2H2 G 7 -2.578 -2.233 19.886 77 2H2* G 7 1H2' G 7 -6.354 3.662 21.610 78 1H2* G 7 2H2' G 7 -5.620 4.965 21.104 79 1H5* T 8 1H5' T 8 -8.033 1.280 20.061 80 2H5* T 8 2H5' T 8 -9.331 0.811 21.115 81 H4* T 8 H4' T 8 -7.791 -1.111 21.026 82 H3* T 8 H3' T 8 -8.726 0.097 23.462 83 1H2* T 8 2H2' T 8 -6.673 0.870 23.880 84 2H2* T 8 1H2' T 8 -6.497 -0.805 24.551 85 H1* T 8 H1' T 8 -5.496 -1.576 22.579 86 H3 T 8 H3 T 8 -1.252 -0.099 23.712 87 1H5M T 8 1H5M T 8 -2.562 4.409 22.877 88 2H5M T 8 2H5M T 8 -4.326 4.365 23.048 89 3H5M T 8 3H5M T 8 -3.277 4.217 24.466 90 H6 T 8 H6 T 8 -5.388 2.092 22.663 91 1H5* G 9 1H5' G 9 -6.204 -3.470 23.237 92 2H5* G 9 2H5' G 9 -7.270 -4.771 23.626 93 H4* G 9 H4' G 9 -5.136 -5.592 24.240 94 H3* G 9 H3' G 9 -6.870 -5.154 26.445 95 H1* G 9 H1' G 9 -3.209 -4.609 26.317 96 H8 G 9 H8 G 9 -4.824 -1.034 26.694 97 H1 G 9 H1 G 9 1.566 -1.141 25.952 98 1H2 G 9 1H2 G 9 1.124 -4.632 25.765 99 2H2 G 9 2H2 G 9 2.270 -3.311 25.757 100 2H2* G 9 1H2' G 9 -4.816 -4.282 28.062 101 1H2* G 9 2H2' G 9 -5.757 -3.146 27.064 102 1H5* G 10 1H5' G 10 -2.639 -6.866 26.246 103 2H5* G 10 2H5' G 10 -2.785 -8.484 26.964 104 H4* G 10 H4' G 10 -0.524 -7.987 26.963 105 H3* G 10 H3' G 10 -1.752 -8.557 29.373 106 H1* G 10 H1' G 10 0.828 -5.771 29.090 107 H8 G 10 H8 G 10 -2.726 -4.188 29.342 108 H1 G 10 H1 G 10 2.181 -0.044 29.096 109 1H2 G 10 1H2 G 10 4.128 -2.923 28.602 110 2H2 G 10 2H2 G 10 4.108 -1.179 28.731 111 H3T G 10 HO3 G 10 0.321 -9.315 28.683 112 2H2* G 10 1H2' G 10 -0.420 -6.699 30.859 113 1H2* G 10 2H2' G 10 -1.981 -6.298 30.092 114 1H5* C 1 1H5' C 1 8.652 6.258 29.640 115 2H5* C 1 2H5' C 1 7.002 5.922 29.083 116 H4* C 1 H4' C 1 8.970 3.897 30.253 117 H3* C 1 H3' C 1 9.090 4.802 27.690 118 H1* C 1 H1' C 1 7.043 1.752 28.392 119 1H4 C 1 1H4 C 1 0.548 3.571 28.277 120 2H4 C 1 2H4 C 1 0.594 1.827 28.411 121 H5 C 1 H5 C 1 2.596 4.964 28.318 122 H6 C 1 H6 C 1 5.013 4.889 28.343 123 H5T C 1 H5' C 1 6.628 5.099 31.241 124 2H2* C 1 1H2' C 1 7.424 3.036 26.498 125 1H2* C 1 2H2' C 1 6.800 4.521 27.223 126 1H5* C 2 1H5' C 2 8.610 0.214 28.627 127 2H5* C 2 2H5' C 2 10.052 -0.504 27.963 128 H4* C 2 H4' C 2 8.260 -2.198 27.986 129 H3* C 2 H3' C 2 9.663 -1.665 25.620 130 H1* C 2 H1' C 2 6.096 -2.426 25.965 131 1H4 C 2 1H4 C 2 2.446 3.219 25.089 132 2H4 C 2 2H4 C 2 1.317 1.888 25.249 133 H5 C 2 H5 C 2 4.921 2.877 25.230 134 H6 C 2 H6 C 2 6.637 1.231 25.414 135 2H2* C 2 1H2' C 2 7.414 -1.872 24.054 136 1H2* C 2 2H2' C 2 7.927 -0.324 24.730 137 1H5* A 3 1H5' A 3 5.610 -4.663 25.795 138 2H5* A 3 2H5' A 3 6.690 -6.104 25.472 139 H4* A 3 H4' A 3 4.539 -6.652 24.998 140 H3* A 3 H3' A 3 6.393 -6.497 23.033 141 H1* A 3 H1' A 3 2.947 -5.375 22.870 142 H8 A 3 H8 A 3 5.384 -2.327 22.267 143 1H6 A 3 1H6 A 3 0.427 1.349 22.668 144 2H6 A 3 2H6 A 3 2.170 1.277 22.513 145 H2 A 3 H2 A 3 -1.024 -2.871 22.873 146 2H2* A 3 1H2' A 3 4.544 -5.414 21.122 147 1H2* A 3 2H2' A 3 5.648 -4.481 22.076 148 1H5* C 4 1H5' C 4 2.583 -7.418 22.945 149 2H5* C 4 2H5' C 4 2.262 -9.072 22.485 150 H4* C 4 H4' C 4 0.104 -7.935 22.109 151 H3* C 4 H3' C 4 1.589 -9.021 19.826 152 H1* C 4 H1' C 4 -0.663 -6.139 20.095 153 1H4 C 4 1H4 C 4 2.721 -0.345 19.178 154 2H4 C 4 2H4 C 4 1.037 0.098 19.328 155 H5 C 4 H5 C 4 3.520 -2.681 19.339 156 H6 C 4 H6 C 4 2.831 -4.928 19.611 157 2H2* C 4 1H2' C 4 0.809 -7.112 18.403 158 1H2* C 4 2H2' C 4 2.156 -6.854 19.246 159 1H5* G 5 1H5' G 5 -2.653 -7.370 19.788 160 2H5* G 5 2H5' G 5 -3.665 -8.712 19.171 161 H4* G 5 H4' G 5 -4.877 -6.741 18.689 162 H3* G 5 H3' G 5 -4.045 -8.246 16.377 163 H1* G 5 H1' G 5 -4.133 -4.658 16.543 164 H8 G 5 H8 G 5 -0.295 -5.690 16.625 165 H1 G 5 H1 G 5 -1.390 0.666 16.535 166 1H2 G 5 1H2 G 5 -4.766 -0.264 16.698 167 2H2 G 5 2H2 G 5 -3.616 1.050 16.611 168 2H2* G 5 1H2' G 5 -3.368 -6.331 14.975 169 1H2* G 5 2H2' G 5 -2.124 -6.850 16.018 170 1H5* C 6 1H5' C 6 -6.460 -4.685 16.975 171 2H5* C 6 2H5' C 6 -8.215 -4.481 17.123 172 H4* C 6 H4' C 6 -7.997 -2.801 15.651 173 H3* C 6 H3' C 6 -7.495 -5.040 13.662 174 H1* C 6 H1' C 6 -6.420 -1.430 14.086 175 1H4 C 6 1H4 C 6 0.117 -2.881 13.033 176 2H4 C 6 2H4 C 6 -0.013 -1.136 13.016 177 H5 C 6 H5 C 6 -1.817 -4.346 13.352 178 H6 C 6 H6 C 6 -4.188 -4.410 13.889 179 2H2* C 6 1H2' C 6 -6.989 -2.638 12.317 180 1H2* C 6 2H2' C 6 -5.873 -3.981 12.635 181 1H5* G 7 1H5' G 7 -8.666 -1.085 13.373 182 2H5* G 7 2H5' G 7 -10.269 -0.694 12.663 183 H4* G 7 H4' G 7 -8.826 1.177 12.195 184 H3* G 7 H3' G 7 -9.599 -0.411 9.856 185 H1* G 7 H1' G 7 -6.466 1.580 10.572 186 H8 G 7 H8 G 7 -6.036 -2.118 10.095 187 H1 G 7 H1 G 7 -0.446 1.050 10.227 188 1H2 G 7 1H2 G 7 -2.478 3.860 10.623 189 2H2 G 7 2H2 G 7 -0.853 3.246 10.411 190 2H2* G 7 1H2' G 7 -7.362 0.567 8.693 191 1H2* G 7 2H2' G 7 -7.493 -0.911 9.224 192 1H5* T 8 1H5' T 8 -7.351 3.527 10.225 193 2H5* T 8 2H5' T 8 -8.145 4.638 9.151 194 H4* T 8 H4' T 8 -5.778 5.327 9.232 195 H3* T 8 H3' T 8 -7.224 4.848 6.791 196 1H2* T 8 2H2' T 8 -5.995 3.024 6.412 197 2H2* T 8 1H2' T 8 -4.879 4.277 5.727 198 H1* T 8 H1' T 8 -3.626 4.358 7.705 199 H3 T 8 H3 T 8 -1.010 0.691 6.632 200 1H5M T 8 1H5M T 8 -6.105 -1.177 7.269 201 2H5M T 8 2H5M T 8 -5.160 -1.662 5.854 202 3H5M T 8 3H5M T 8 -4.690 -2.229 7.443 203 H6 T 8 H6 T 8 -5.658 1.300 7.655 204 1H5* G 9 1H5' G 9 -3.103 6.306 7.036 205 2H5* G 9 2H5' G 9 -3.214 7.975 6.613 206 H4* G 9 H4' G 9 -0.995 7.391 6.031 207 H3* G 9 H3' G 9 -2.644 8.009 3.804 208 H1* G 9 H1' G 9 0.023 5.445 3.990 209 H8 G 9 H8 G 9 -3.361 3.462 3.611 210 H1 G 9 H1 G 9 1.911 -0.139 4.418 211 1H2 G 9 1H2 G 9 3.562 2.967 4.610 212 2H2 G 9 2H2 G 9 3.735 1.228 4.626 213 2H2* G 9 1H2' G 9 -1.460 6.087 2.223 214 1H2* G 9 2H2' G 9 -2.894 5.720 3.213 215 1H5* G 10 1H5' G 10 1.793 6.957 4.061 216 2H5* G 10 2H5' G 10 2.620 8.349 3.329 217 H4* G 10 H4' G 10 4.171 6.630 3.373 218 H3* G 10 H3' G 10 3.527 7.775 0.940 219 H1* G 10 H1' G 10 4.011 4.014 1.278 220 H8 G 10 H8 G 10 0.200 4.779 0.974 221 H1 G 10 H1 G 10 1.800 -1.438 1.307 222 1H2 G 10 1H2 G 10 5.038 -0.212 1.860 223 2H2 G 10 2H2 G 10 4.013 -1.622 1.732 224 H3T G 10 HO3 G 10 5.649 7.196 1.666 225 2H2* G 10 1H2' G 10 3.553 5.470 -0.516 226 1H2* G 10 2H2' G 10 2.039 6.059 0.227 Start of MODEL 13 1 1H5* C 1 1H5' C 1 3.583 -10.342 1.223 2 2H5* C 1 2H5' C 1 2.412 -9.084 1.656 3 H4* C 1 H4' C 1 5.241 -8.640 0.583 4 H3* C 1 H3' C 1 4.714 -9.351 3.153 5 H1* C 1 H1' C 1 4.862 -5.701 2.334 6 1H4 C 1 1H4 C 1 -1.478 -3.413 2.085 7 2H4 C 1 2H4 C 1 -0.430 -2.021 1.944 8 H5 C 1 H5 C 1 -0.620 -5.727 2.181 9 H6 C 1 H6 C 1 1.384 -7.070 2.290 10 H5T C 1 H5' C 1 3.596 -9.432 -0.898 11 2H2* C 1 1H2' C 1 4.352 -6.905 4.247 12 1H2* C 1 2H2' C 1 3.005 -7.769 3.500 13 1H5* C 2 1H5' C 2 7.042 -5.388 2.168 14 2H5* C 2 2H5' C 2 8.604 -5.621 2.902 15 H4* C 2 H4' C 2 8.142 -3.204 2.780 16 H3* C 2 H3' C 2 8.860 -4.379 5.223 17 H1* C 2 H1' C 2 6.436 -1.682 4.673 18 1H4 C 2 1H4 C 2 0.149 -4.120 5.373 19 2H4 C 2 2H4 C 2 0.007 -2.390 5.132 20 H5 C 2 H5 C 2 2.361 -5.277 5.389 21 H6 C 2 H6 C 2 4.717 -4.944 5.286 22 2H2* C 2 1H2' C 2 7.100 -2.826 6.658 23 1H2* C 2 2H2' C 2 6.638 -4.408 6.024 24 1H5* A 3 1H5' A 3 7.357 0.412 4.815 25 2H5* A 3 2H5' A 3 9.065 0.953 5.184 26 H4* A 3 H4' A 3 7.631 2.674 5.551 27 H3* A 3 H3' A 3 8.965 1.517 7.605 28 H1* A 3 H1' A 3 5.517 2.656 7.596 29 H8 A 3 H8 A 3 5.658 -1.217 8.351 30 1H6 A 3 1H6 A 3 -0.473 -1.306 7.594 31 2H6 A 3 2H6 A 3 0.977 -2.257 7.832 32 H2 A 3 H2 A 3 0.829 2.972 7.426 33 2H2* A 3 1H2' A 3 6.764 1.812 9.427 34 1H2* A 3 2H2' A 3 7.136 0.372 8.540 35 1H5* C 4 1H5' C 4 6.443 4.511 7.481 36 2H5* C 4 2H5' C 4 7.163 6.043 7.909 37 H4* C 4 H4' C 4 4.747 6.446 8.187 38 H3* C 4 H3' C 4 6.512 6.474 10.530 39 H1* C 4 H1' C 4 2.979 5.533 10.155 40 1H4 C 4 1H4 C 4 2.239 -1.109 11.291 41 2H4 C 4 2H4 C 4 0.622 -0.493 11.058 42 H5 C 4 H5 C 4 4.254 0.295 11.173 43 H6 C 4 H6 C 4 5.040 2.499 10.852 44 2H2* C 4 1H2' C 4 4.672 5.502 11.925 45 1H2* C 4 2H2' C 4 5.625 4.457 11.164 46 1H5* G 5 1H5' G 5 2.143 7.698 10.562 47 2H5* G 5 2H5' G 5 2.226 9.415 11.057 48 H4* G 5 H4' G 5 0.068 8.774 11.742 49 H3* G 5 H3' G 5 1.868 9.217 14.032 50 H1* G 5 H1' G 5 -0.818 6.751 13.903 51 H8 G 5 H8 G 5 2.835 5.130 13.624 52 H1 G 5 H1 G 5 -1.907 0.788 13.725 53 1H2 G 5 1H2 G 5 -4.039 3.575 13.549 54 2H2 G 5 2H2 G 5 -3.916 1.830 13.596 55 2H2* G 5 1H2' G 5 0.852 7.509 15.438 56 1H2* G 5 2H2' G 5 2.120 7.101 14.391 57 1H5* C 6 1H5' C 6 -2.437 8.406 13.657 58 2H5* C 6 2H5' C 6 -3.339 9.647 14.571 59 H4* C 6 H4' C 6 -4.629 7.529 14.652 60 H3* C 6 H3' C 6 -3.416 8.740 17.056 61 H1* C 6 H1' C 6 -4.386 5.228 16.199 62 1H4 C 6 1H4 C 6 1.782 2.590 17.280 63 2H4 C 6 2H4 C 6 0.673 1.239 17.242 64 H5 C 6 H5 C 6 1.044 4.931 17.067 65 H6 C 6 H6 C 6 -0.854 6.376 16.547 66 2H2* C 6 1H2' C 6 -4.185 6.362 18.159 67 1H2* C 6 2H2' C 6 -2.505 6.899 17.839 68 1H5* G 7 1H5' G 7 -6.539 5.869 16.951 69 2H5* G 7 2H5' G 7 -8.108 6.362 17.667 70 H4* G 7 H4' G 7 -7.895 4.016 18.108 71 H3* G 7 H3' G 7 -7.645 5.753 20.473 72 H1* G 7 H1' G 7 -6.206 2.352 19.683 73 H8 G 7 H8 G 7 -3.738 5.120 20.228 74 H1 G 7 H1 G 7 -0.960 -0.668 20.040 75 1H2 G 7 1H2 G 7 -4.253 -1.803 19.693 76 2H2 G 7 2H2 G 7 -2.570 -2.238 19.884 77 2H2* G 7 1H2' G 7 -6.365 3.648 21.594 78 1H2* G 7 2H2' G 7 -5.630 4.953 21.094 79 1H5* T 8 1H5' T 8 -8.034 1.267 20.033 80 2H5* T 8 2H5' T 8 -9.336 0.795 21.080 81 H4* T 8 H4' T 8 -7.793 -1.126 20.995 82 H3* T 8 H3' T 8 -8.741 0.077 23.429 83 1H2* T 8 2H2' T 8 -6.691 0.851 23.858 84 2H2* T 8 1H2' T 8 -6.517 -0.825 24.527 85 H1* T 8 H1' T 8 -5.505 -1.590 22.559 86 H3 T 8 H3 T 8 -1.268 -0.110 23.712 87 1H5M T 8 1H5M T 8 -2.581 4.397 22.880 88 2H5M T 8 2H5M T 8 -4.346 4.351 23.043 89 3H5M T 8 3H5M T 8 -3.303 4.203 24.465 90 H6 T 8 H6 T 8 -5.403 2.078 22.650 91 1H5* G 9 1H5' G 9 -6.218 -3.488 23.201 92 2H5* G 9 2H5' G 9 -7.283 -4.791 23.585 93 H4* G 9 H4' G 9 -5.147 -5.609 24.198 94 H3* G 9 H3' G 9 -6.887 -5.186 26.400 95 H1* G 9 H1' G 9 -3.227 -4.631 26.284 96 H8 G 9 H8 G 9 -4.851 -1.062 26.673 97 H1 G 9 H1 G 9 1.542 -1.151 25.963 98 1H2 G 9 1H2 G 9 1.109 -4.642 25.756 99 2H2 G 9 2H2 G 9 2.252 -3.318 25.761 100 2H2* G 9 1H2' G 9 -4.839 -4.315 28.026 101 1H2* G 9 2H2' G 9 -5.780 -3.178 27.030 102 1H5* G 10 1H5' G 10 -2.651 -6.887 26.202 103 2H5* G 10 2H5' G 10 -2.793 -8.508 26.914 104 H4* G 10 H4' G 10 -0.532 -8.002 26.918 105 H3* G 10 H3' G 10 -1.764 -8.592 29.319 106 H1* G 10 H1' G 10 0.807 -5.793 29.060 107 H8 G 10 H8 G 10 -2.754 -4.226 29.313 108 H1 G 10 H1 G 10 2.137 -0.061 29.114 109 1H2 G 10 1H2 G 10 4.097 -2.930 28.612 110 2H2 G 10 2H2 G 10 4.070 -1.187 28.751 111 H3T G 10 HO3 G 10 0.383 -8.868 30.106 112 2H2* G 10 1H2' G 10 -0.441 -6.736 30.822 113 1H2* G 10 2H2' G 10 -2.002 -6.338 30.053 114 1H5* C 1 1H5' C 1 6.993 5.968 29.047 115 2H5* C 1 2H5' C 1 7.208 5.700 30.786 116 H4* C 1 H4' C 1 8.900 3.924 30.279 117 H3* C 1 H3' C 1 9.028 4.815 27.700 118 H1* C 1 H1' C 1 6.998 1.754 28.410 119 1H4 C 1 1H4 C 1 0.495 3.545 28.294 120 2H4 C 1 2H4 C 1 0.549 1.801 28.424 121 H5 C 1 H5 C 1 2.537 4.946 28.339 122 H6 C 1 H6 C 1 4.955 4.882 28.369 123 H5T C 1 H5' C 1 9.237 6.447 28.955 124 2H2* C 1 1H2' C 1 7.378 3.040 26.519 125 1H2* C 1 2H2' C 1 6.737 4.520 27.240 126 1H5* C 2 1H5' C 2 8.576 0.227 28.650 127 2H5* C 2 2H5' C 2 10.021 -0.485 27.987 128 H4* C 2 H4' C 2 8.235 -2.184 28.005 129 H3* C 2 H3' C 2 9.641 -1.643 25.643 130 H1* C 2 H1' C 2 6.077 -2.418 25.979 131 1H4 C 2 1H4 C 2 2.405 3.213 25.104 132 2H4 C 2 2H4 C 2 1.281 1.877 25.262 133 H5 C 2 H5 C 2 4.881 2.880 25.245 134 H6 C 2 H6 C 2 6.602 1.241 25.429 135 2H2* C 2 1H2' C 2 7.397 -1.856 24.072 136 1H2* C 2 2H2' C 2 7.903 -0.307 24.751 137 1H5* A 3 1H5' A 3 5.599 -4.657 25.806 138 2H5* A 3 2H5' A 3 6.685 -6.094 25.484 139 H4* A 3 H4' A 3 4.537 -6.649 25.005 140 H3* A 3 H3' A 3 6.395 -6.487 23.045 141 H1* A 3 H1' A 3 2.946 -5.376 22.873 142 H8 A 3 H8 A 3 5.375 -2.319 22.279 143 1H6 A 3 1H6 A 3 0.407 1.342 22.676 144 2H6 A 3 2H6 A 3 2.151 1.274 22.526 145 H2 A 3 H2 A 3 -1.033 -2.883 22.867 146 2H2* A 3 1H2' A 3 4.548 -5.409 21.130 147 1H2* A 3 2H2' A 3 5.646 -4.473 22.087 148 1H5* C 4 1H5' C 4 2.588 -7.420 22.947 149 2H5* C 4 2H5' C 4 2.273 -9.074 22.485 150 H4* C 4 H4' C 4 0.112 -7.943 22.104 151 H3* C 4 H3' C 4 1.605 -9.024 19.825 152 H1* C 4 H1' C 4 -0.655 -6.148 20.090 153 1H4 C 4 1H4 C 4 2.719 -0.345 19.187 154 2H4 C 4 2H4 C 4 1.033 0.094 19.334 155 H5 C 4 H5 C 4 3.522 -2.678 19.345 156 H6 C 4 H6 C 4 2.838 -4.927 19.614 157 2H2* C 4 1H2' C 4 0.823 -7.116 18.401 158 1H2* C 4 2H2' C 4 2.168 -6.855 19.247 159 1H5* G 5 1H5' G 5 -2.641 -7.384 19.780 160 2H5* G 5 2H5' G 5 -3.650 -8.726 19.159 161 H4* G 5 H4' G 5 -4.863 -6.755 18.680 162 H3* G 5 H3' G 5 -4.028 -8.258 16.366 163 H1* G 5 H1' G 5 -4.120 -4.669 16.536 164 H8 G 5 H8 G 5 -0.281 -5.698 16.621 165 H1 G 5 H1 G 5 -1.380 0.657 16.538 166 1H2 G 5 1H2 G 5 -4.756 -0.275 16.695 167 2H2 G 5 2H2 G 5 -3.607 1.039 16.612 168 2H2* G 5 1H2' G 5 -3.352 -6.339 14.967 169 1H2* G 5 2H2' G 5 -2.108 -6.858 16.010 170 1H5* C 6 1H5' C 6 -6.447 -4.700 16.969 171 2H5* C 6 2H5' C 6 -8.202 -4.498 17.117 172 H4* C 6 H4' C 6 -7.984 -2.815 15.648 173 H3* C 6 H3' C 6 -7.481 -5.050 13.654 174 H1* C 6 H1' C 6 -6.407 -1.440 14.085 175 1H4 C 6 1H4 C 6 0.131 -2.886 13.035 176 2H4 C 6 2H4 C 6 0.000 -1.141 13.022 177 H5 C 6 H5 C 6 -1.803 -4.352 13.345 178 H6 C 6 H6 C 6 -4.174 -4.419 13.882 179 2H2* C 6 1H2' C 6 -6.976 -2.645 12.314 180 1H2* C 6 2H2' C 6 -5.860 -3.988 12.629 181 1H5* G 7 1H5' G 7 -8.654 -1.095 13.375 182 2H5* G 7 2H5' G 7 -10.257 -0.702 12.665 183 H4* G 7 H4' G 7 -8.813 1.170 12.203 184 H3* G 7 H3' G 7 -9.588 -0.411 9.860 185 H1* G 7 H1' G 7 -6.453 1.577 10.580 186 H8 G 7 H8 G 7 -6.025 -2.120 10.093 187 H1 G 7 H1 G 7 -0.433 1.044 10.233 188 1H2 G 7 1H2 G 7 -2.463 3.855 10.626 189 2H2 G 7 2H2 G 7 -0.839 3.240 10.417 190 2H2* G 7 1H2' G 7 -7.351 0.569 8.699 191 1H2* G 7 2H2' G 7 -7.482 -0.910 9.226 192 1H5* T 8 1H5' T 8 -7.339 3.524 10.241 193 2H5* T 8 2H5' T 8 -8.134 4.639 9.172 194 H4* T 8 H4' T 8 -5.767 5.329 9.253 195 H3* T 8 H3' T 8 -7.216 4.858 6.812 196 1H2* T 8 2H2' T 8 -5.988 3.035 6.426 197 2H2* T 8 1H2' T 8 -4.873 4.290 5.743 198 H1* T 8 H1' T 8 -3.617 4.364 7.719 199 H3 T 8 H3 T 8 -1.001 0.701 6.634 200 1H5M T 8 1H5M T 8 -4.680 -2.221 7.439 201 2H5M T 8 2H5M T 8 -6.096 -1.169 7.269 202 3H5M T 8 3H5M T 8 -5.151 -1.651 5.852 203 H6 T 8 H6 T 8 -5.649 1.307 7.661 204 1H5* G 9 1H5' G 9 -3.094 6.315 7.057 205 2H5* G 9 2H5' G 9 -3.205 7.986 6.639 206 H4* G 9 H4' G 9 -0.987 7.402 6.053 207 H3* G 9 H3' G 9 -2.638 8.030 3.830 208 H1* G 9 H1' G 9 0.026 5.461 4.002 209 H8 G 9 H8 G 9 -3.360 3.484 3.619 210 H1 G 9 H1 G 9 1.904 -0.127 4.420 211 1H2 G 9 1H2 G 9 3.561 2.975 4.622 212 2H2 G 9 2H2 G 9 3.731 1.235 4.633 213 2H2* G 9 1H2' G 9 -1.459 6.111 2.240 214 1H2* G 9 2H2' G 9 -2.892 5.743 3.231 215 1H5* G 10 1H5' G 10 1.798 6.970 4.079 216 2H5* G 10 2H5' G 10 2.628 8.361 3.348 217 H4* G 10 H4' G 10 4.174 6.637 3.388 218 H3* G 10 H3' G 10 3.532 7.790 0.958 219 H1* G 10 H1' G 10 4.005 4.026 1.286 220 H8 G 10 H8 G 10 0.197 4.803 0.984 221 H1 G 10 H1 G 10 1.778 -1.420 1.306 222 1H2 G 10 1H2 G 10 5.019 -0.204 1.865 223 2H2 G 10 2H2 G 10 3.989 -1.611 1.733 224 H3T G 10 HO3 G 10 5.652 7.203 1.681 225 2H2* G 10 1H2' G 10 3.549 5.488 -0.504 226 1H2* G 10 2H2' G 10 2.038 6.080 0.242 Start of MODEL 14 1 1H5* C 1 1H5' C 1 3.847 -10.234 1.060 2 2H5* C 1 2H5' C 1 2.648 -9.013 1.523 3 H4* C 1 H4' C 1 5.450 -8.477 0.420 4 H3* C 1 H3' C 1 4.976 -9.241 2.986 5 H1* C 1 H1' C 1 5.024 -5.581 2.219 6 1H4 C 1 1H4 C 1 -1.365 -3.422 2.133 7 2H4 C 1 2H4 C 1 -0.344 -2.009 1.999 8 H5 C 1 H5 C 1 -0.459 -5.725 2.152 9 H6 C 1 H6 C 1 1.579 -7.027 2.201 10 H5T C 1 H5' C 1 3.809 -9.302 -1.049 11 2H2* C 1 1H2' C 1 4.566 -6.824 4.123 12 1H2* C 1 2H2' C 1 3.231 -7.709 3.378 13 1H5* C 2 1H5' C 2 7.192 -5.199 2.031 14 2H5* C 2 2H5' C 2 8.769 -5.404 2.741 15 H4* C 2 H4' C 2 8.239 -2.996 2.660 16 H3* C 2 H3' C 2 9.040 -4.183 5.069 17 H1* C 2 H1' C 2 6.526 -1.557 4.614 18 1H4 C 2 1H4 C 2 0.316 -4.164 5.377 19 2H4 C 2 2H4 C 2 0.133 -2.432 5.180 20 H5 C 2 H5 C 2 2.558 -5.271 5.316 21 H6 C 2 H6 C 2 4.906 -4.875 5.185 22 2H2* C 2 1H2' C 2 7.258 -2.722 6.564 23 1H2* C 2 2H2' C 2 6.830 -4.302 5.905 24 1H5* A 3 1H5' A 3 7.376 0.571 4.766 25 2H5* A 3 2H5' A 3 9.072 1.160 5.118 26 H4* A 3 H4' A 3 7.591 2.831 5.529 27 H3* A 3 H3' A 3 8.991 1.693 7.546 28 H1* A 3 H1' A 3 5.508 2.708 7.612 29 H8 A 3 H8 A 3 5.791 -1.172 8.286 30 1H6 A 3 1H6 A 3 -0.364 -1.429 7.729 31 2H6 A 3 2H6 A 3 1.115 -2.348 7.922 32 H2 A 3 H2 A 3 0.816 2.876 7.519 33 2H2* A 3 1H2' A 3 6.810 1.871 9.405 34 1H2* A 3 2H2' A 3 7.218 0.462 8.483 35 1H5* C 4 1H5' C 4 6.360 4.599 7.524 36 2H5* C 4 2H5' C 4 7.017 6.154 7.972 37 H4* C 4 H4' C 4 4.586 6.438 8.291 38 H3* C 4 H3' C 4 6.375 6.536 10.611 39 H1* C 4 H1' C 4 2.897 5.420 10.284 40 1H4 C 4 1H4 C 4 2.408 -1.259 11.293 41 2H4 C 4 2H4 C 4 0.771 -0.679 11.098 42 H5 C 4 H5 C 4 4.386 0.219 11.161 43 H6 C 4 H6 C 4 5.089 2.459 10.868 44 2H2* C 4 1H2' C 4 4.624 5.425 12.015 45 1H2* C 4 2H2' C 4 5.608 4.437 11.211 46 1H5* G 5 1H5' G 5 1.941 7.562 10.545 47 2H5* G 5 2H5' G 5 1.853 9.253 11.126 48 H4* G 5 H4' G 5 -0.268 8.326 11.588 49 H3* G 5 H3' G 5 1.227 9.138 13.915 50 H1* G 5 H1' G 5 -0.878 6.232 13.765 51 H8 G 5 H8 G 5 2.869 4.904 13.762 52 H1 G 5 H1 G 5 -1.627 0.285 13.879 53 1H2 G 5 1H2 G 5 -3.891 2.957 13.699 54 2H2 G 5 2H2 G 5 -3.683 1.225 13.798 55 2H2* G 5 1H2' G 5 0.681 7.199 15.344 56 1H2* G 5 2H2' G 5 2.011 6.904 14.322 57 1H5* C 6 1H5' C 6 -2.790 7.563 13.354 58 2H5* C 6 2H5' C 6 -4.338 8.396 13.140 59 H4* C 6 H4' C 6 -5.171 7.025 14.709 60 H3* C 6 H3' C 6 -3.372 8.567 16.603 61 H1* C 6 H1' C 6 -4.681 5.012 16.347 62 1H4 C 6 1H4 C 6 1.476 2.364 17.352 63 2H4 C 6 2H4 C 6 0.352 1.025 17.410 64 H5 C 6 H5 C 6 0.770 4.671 16.958 65 H6 C 6 H6 C 6 -1.115 6.101 16.412 66 2H2* C 6 1H2' C 6 -4.390 6.383 18.047 67 1H2* C 6 2H2' C 6 -2.703 6.784 17.698 68 1H5* G 7 1H5' G 7 -6.671 6.130 17.035 69 2H5* G 7 2H5' G 7 -8.181 6.759 17.782 70 H4* G 7 H4' G 7 -8.057 4.397 18.275 71 H3* G 7 H3' G 7 -7.716 6.176 20.588 72 H1* G 7 H1' G 7 -6.323 2.730 19.857 73 H8 G 7 H8 G 7 -3.859 5.518 20.308 74 H1 G 7 H1 G 7 -1.076 -0.270 20.186 75 1H2 G 7 1H2 G 7 -4.350 -1.415 19.749 76 2H2 G 7 2H2 G 7 -2.668 -1.842 19.976 77 2H2* G 7 1H2' G 7 -6.460 4.065 21.739 78 1H2* G 7 2H2' G 7 -5.724 5.353 21.217 79 1H5* T 8 1H5' T 8 -8.177 1.691 20.243 80 2H5* T 8 2H5' T 8 -9.455 1.234 21.327 81 H4* T 8 H4' T 8 -7.927 -0.700 21.225 82 H3* T 8 H3' T 8 -8.779 0.529 23.692 83 1H2* T 8 2H2' T 8 -6.705 1.266 24.046 84 2H2* T 8 1H2' T 8 -6.542 -0.418 24.691 85 H1* T 8 H1' T 8 -5.574 -1.167 22.690 86 H3 T 8 H3 T 8 -1.320 0.304 23.765 87 1H5M T 8 1H5M T 8 -2.618 4.811 22.960 88 2H5M T 8 2H5M T 8 -4.382 4.773 23.115 89 3H5M T 8 3H5M T 8 -3.347 4.622 24.542 90 H6 T 8 H6 T 8 -5.470 2.499 22.785 91 1H5* G 9 1H5' G 9 -6.375 -3.052 23.231 92 2H5* G 9 2H5' G 9 -7.444 -4.341 23.644 93 H4* G 9 H4' G 9 -5.298 -5.233 24.066 94 H3* G 9 H3' G 9 -6.879 -4.852 26.397 95 H1* G 9 H1' G 9 -3.223 -4.408 26.060 96 H8 G 9 H8 G 9 -4.701 -0.796 26.646 97 H1 G 9 H1 G 9 1.681 -1.144 25.885 98 1H2 G 9 1H2 G 9 1.063 -4.595 25.472 99 2H2 G 9 2H2 G 9 2.277 -3.337 25.520 100 2H2* G 9 1H2' G 9 -4.706 -4.112 27.919 101 1H2* G 9 2H2' G 9 -5.666 -2.904 27.029 102 1H5* G 10 1H5' G 10 -2.713 -6.669 25.856 103 2H5* G 10 2H5' G 10 -2.894 -8.320 26.486 104 H4* G 10 H4' G 10 -0.611 -7.910 26.386 105 H3* G 10 H3' G 10 -1.750 -8.599 28.808 106 H1* G 10 H1' G 10 0.933 -5.900 28.590 107 H8 G 10 H8 G 10 -2.554 -4.202 29.064 108 H1 G 10 H1 G 10 2.533 -0.271 29.109 109 1H2 G 10 1H2 G 10 4.361 -3.203 28.470 110 2H2 G 10 2H2 G 10 4.421 -1.474 28.724 111 H3T G 10 HO3 G 10 1.001 -8.112 28.230 112 2H2* G 10 1H2' G 10 -0.254 -6.917 30.350 113 1H2* G 10 2H2' G 10 -1.836 -6.399 29.704 114 1H5* C 1 1H5' C 1 9.334 5.683 29.851 115 2H5* C 1 2H5' C 1 7.632 5.488 29.392 116 H4* C 1 H4' C 1 9.501 3.283 30.394 117 H3* C 1 H3' C 1 9.590 4.287 27.866 118 H1* C 1 H1' C 1 7.378 1.352 28.527 119 1H4 C 1 1H4 C 1 1.007 3.559 28.626 120 2H4 C 1 2H4 C 1 0.956 1.811 28.697 121 H5 C 1 H5 C 1 3.138 4.828 28.703 122 H6 C 1 H6 C 1 5.549 4.607 28.675 123 H5T C 1 H5' C 1 8.742 4.889 31.934 124 2H2* C 1 1H2' C 1 7.771 2.692 26.669 125 1H2* C 1 2H2' C 1 7.274 4.180 27.481 126 1H5* C 2 1H5' C 2 8.836 -0.296 28.629 127 2H5* C 2 2H5' C 2 10.193 -1.088 27.876 128 H4* C 2 H4' C 2 8.266 -2.633 27.919 129 H3* C 2 H3' C 2 9.648 -2.145 25.534 130 H1* C 2 H1' C 2 6.045 -2.639 25.947 131 1H4 C 2 1H4 C 2 2.837 3.319 25.456 132 2H4 C 2 2H4 C 2 1.616 2.063 25.558 133 H5 C 2 H5 C 2 5.282 2.780 25.481 134 H6 C 2 H6 C 2 6.870 0.988 25.537 135 2H2* C 2 1H2' C 2 7.348 -2.138 24.014 136 1H2* C 2 2H2' C 2 7.997 -0.650 24.717 137 1H5* A 3 1H5' A 3 5.390 -4.780 25.590 138 2H5* A 3 2H5' A 3 6.208 -6.315 25.082 139 H4* A 3 H4' A 3 3.979 -6.375 24.511 140 H3* A 3 H3' A 3 5.930 -6.389 22.629 141 H1* A 3 H1' A 3 2.808 -4.720 22.551 142 H8 A 3 H8 A 3 5.433 -1.834 22.046 143 1H6 A 3 1H6 A 3 0.677 2.089 22.844 144 2H6 A 3 2H6 A 3 2.417 1.965 22.645 145 H2 A 3 H2 A 3 -0.976 -2.037 22.831 146 2H2* A 3 1H2' A 3 4.478 -4.765 20.851 147 1H2* A 3 2H2' A 3 5.637 -4.067 21.952 148 1H5* C 4 1H5' C 4 2.154 -6.613 23.183 149 2H5* C 4 2H5' C 4 0.918 -7.637 23.870 150 H4* C 4 H4' C 4 -0.426 -7.412 22.092 151 H3* C 4 H3' C 4 1.802 -8.446 20.377 152 H1* C 4 H1' C 4 -0.785 -5.823 19.921 153 1H4 C 4 1H4 C 4 2.486 0.070 19.226 154 2H4 C 4 2H4 C 4 0.805 0.487 19.462 155 H5 C 4 H5 C 4 3.329 -2.261 19.318 156 H6 C 4 H6 C 4 2.712 -4.463 19.413 157 2H2* C 4 1H2' C 4 0.874 -6.970 18.572 158 1H2* C 4 2H2' C 4 2.099 -6.446 19.471 159 1H5* G 5 1H5' G 5 -2.484 -7.456 19.855 160 2H5* G 5 2H5' G 5 -3.264 -8.983 19.345 161 H4* G 5 H4' G 5 -4.810 -7.288 18.714 162 H3* G 5 H3' G 5 -3.608 -8.637 16.415 163 H1* G 5 H1' G 5 -4.517 -5.098 16.533 164 H8 G 5 H8 G 5 -0.604 -5.792 16.893 165 H1 G 5 H1 G 5 -1.998 0.479 16.663 166 1H2 G 5 1H2 G 5 -5.338 -0.571 16.829 167 2H2 G 5 2H2 G 5 -4.231 0.784 16.785 168 2H2* G 5 1H2' G 5 -3.534 -6.660 15.003 169 1H2* G 5 2H2' G 5 -2.249 -7.009 16.039 170 1H5* C 6 1H5' C 6 -6.786 -5.556 16.771 171 2H5* C 6 2H5' C 6 -8.219 -6.094 15.851 172 H4* C 6 H4' C 6 -8.105 -3.620 15.737 173 H3* C 6 H3' C 6 -7.752 -5.327 13.356 174 H1* C 6 H1' C 6 -6.611 -1.860 14.184 175 1H4 C 6 1H4 C 6 -0.018 -3.109 13.120 176 2H4 C 6 2H4 C 6 -0.187 -1.369 13.145 177 H5 C 6 H5 C 6 -1.931 -4.639 13.351 178 H6 C 6 H6 C 6 -4.310 -4.778 13.891 179 2H2* C 6 1H2' C 6 -7.060 -2.929 12.235 180 1H2* C 6 2H2' C 6 -5.969 -4.309 12.570 181 1H5* G 7 1H5' G 7 -8.745 -1.196 13.395 182 2H5* G 7 2H5' G 7 -10.314 -0.736 12.656 183 H4* G 7 H4' G 7 -8.818 1.083 12.207 184 H3* G 7 H3' G 7 -9.557 -0.523 9.853 185 H1* G 7 H1' G 7 -6.469 1.494 10.654 186 H8 G 7 H8 G 7 -5.971 -2.187 10.162 187 H1 G 7 H1 G 7 -0.430 1.056 10.355 188 1H2 G 7 1H2 G 7 -2.523 3.840 10.697 189 2H2 G 7 2H2 G 7 -0.885 3.257 10.507 190 2H2* G 7 1H2' G 7 -7.302 0.485 8.746 191 1H2* G 7 2H2' G 7 -7.434 -1.002 9.264 192 1H5* T 8 1H5' T 8 -7.356 3.417 10.260 193 2H5* T 8 2H5' T 8 -8.149 4.525 9.182 194 H4* T 8 H4' T 8 -5.792 5.238 9.290 195 H3* T 8 H3' T 8 -7.214 4.741 6.840 196 1H2* T 8 2H2' T 8 -5.954 2.939 6.460 197 2H2* T 8 1H2' T 8 -4.853 4.213 5.789 198 H1* T 8 H1' T 8 -3.617 4.304 7.776 199 H3 T 8 H3 T 8 -0.942 0.674 6.711 200 1H5M T 8 1H5M T 8 -5.051 -1.741 5.928 201 2H5M T 8 2H5M T 8 -4.583 -2.295 7.524 202 3H5M T 8 3H5M T 8 -6.010 -1.262 7.336 203 H6 T 8 H6 T 8 -5.603 1.219 7.705 204 1H5* G 9 1H5' G 9 -3.121 6.262 7.112 205 2H5* G 9 2H5' G 9 -3.259 7.932 6.698 206 H4* G 9 H4' G 9 -1.025 7.394 6.131 207 H3* G 9 H3' G 9 -2.664 7.988 3.891 208 H1* G 9 H1' G 9 0.046 5.472 4.094 209 H8 G 9 H8 G 9 -3.299 3.429 3.689 210 H1 G 9 H1 G 9 2.033 -0.080 4.496 211 1H2 G 9 1H2 G 9 3.631 3.055 4.688 212 2H2 G 9 2H2 G 9 3.835 1.319 4.701 213 2H2* G 9 1H2' G 9 -1.436 6.089 2.316 214 1H2* G 9 2H2' G 9 -2.870 5.695 3.295 215 1H5* G 10 1H5' G 10 1.792 7.012 4.176 216 2H5* G 10 2H5' G 10 2.594 8.426 3.460 217 H4* G 10 H4' G 10 4.185 6.740 3.506 218 H3* G 10 H3' G 10 3.539 7.887 1.075 219 H1* G 10 H1' G 10 4.084 4.128 1.395 220 H8 G 10 H8 G 10 0.262 4.838 1.075 221 H1 G 10 H1 G 10 1.959 -1.356 1.364 222 1H2 G 10 1H2 G 10 5.185 -0.082 1.899 223 2H2 G 10 2H2 G 10 4.183 -1.508 1.762 224 H3T G 10 HO3 G 10 5.474 5.858 1.598 225 2H2* G 10 1H2' G 10 3.626 5.590 -0.392 226 1H2* G 10 2H2' G 10 2.094 6.148 0.336 Start of MODEL 15 1 1H5* C 1 1H5' C 1 3.666 -10.333 1.188 2 2H5* C 1 2H5' C 1 2.505 -9.073 1.649 3 H4* C 1 H4' C 1 5.358 -8.633 0.646 4 H3* C 1 H3' C 1 4.758 -9.377 3.193 5 H1* C 1 H1' C 1 4.958 -5.718 2.422 6 1H4 C 1 1H4 C 1 -1.356 -3.369 2.087 7 2H4 C 1 2H4 C 1 -0.294 -1.985 1.987 8 H5 C 1 H5 C 1 -0.521 -5.693 2.153 9 H6 C 1 H6 C 1 1.469 -7.055 2.283 10 H5T C 1 H5' C 1 2.826 -8.231 -0.510 11 2H2* C 1 1H2' C 1 4.391 -6.939 4.309 12 1H2* C 1 2H2' C 1 3.056 -7.784 3.521 13 1H5* C 2 1H5' C 2 7.144 -5.427 2.317 14 2H5* C 2 2H5' C 2 8.687 -5.686 3.082 15 H4* C 2 H4' C 2 8.259 -3.264 2.975 16 H3* C 2 H3' C 2 8.903 -4.469 5.424 17 H1* C 2 H1' C 2 6.525 -1.740 4.840 18 1H4 C 2 1H4 C 2 0.195 -4.109 5.388 19 2H4 C 2 2H4 C 2 0.078 -2.375 5.167 20 H5 C 2 H5 C 2 2.392 -5.294 5.424 21 H6 C 2 H6 C 2 4.754 -4.987 5.376 22 2H2* C 2 1H2' C 2 7.124 -2.909 6.831 23 1H2* C 2 2H2' C 2 6.662 -4.480 6.171 24 1H5* A 3 1H5' A 3 7.468 0.340 5.034 25 2H5* A 3 2H5' A 3 9.168 0.863 5.456 26 H4* A 3 H4' A 3 7.734 2.592 5.801 27 H3* A 3 H3' A 3 9.006 1.408 7.878 28 H1* A 3 H1' A 3 5.573 2.570 7.788 29 H8 A 3 H8 A 3 5.659 -1.309 8.515 30 1H6 A 3 1H6 A 3 -0.464 -1.326 7.652 31 2H6 A 3 2H6 A 3 0.968 -2.298 7.915 32 H2 A 3 H2 A 3 0.896 2.932 7.494 33 2H2* A 3 1H2' A 3 6.760 1.701 9.643 34 1H2* A 3 2H2' A 3 7.147 0.265 8.754 35 1H5* C 4 1H5' C 4 6.510 4.422 7.714 36 2H5* C 4 2H5' C 4 7.214 5.952 8.174 37 H4* C 4 H4' C 4 4.785 6.343 8.371 38 H3* C 4 H3' C 4 6.466 6.391 10.773 39 H1* C 4 H1' C 4 2.962 5.420 10.285 40 1H4 C 4 1H4 C 4 2.191 -1.219 11.398 41 2H4 C 4 2H4 C 4 0.584 -0.590 11.124 42 H5 C 4 H5 C 4 4.218 0.182 11.332 43 H6 C 4 H6 C 4 5.016 2.388 11.034 44 2H2* C 4 1H2' C 4 4.602 5.377 12.113 45 1H2* C 4 2H2' C 4 5.576 4.351 11.365 46 1H5* G 5 1H5' G 5 2.037 7.556 10.606 47 2H5* G 5 2H5' G 5 2.096 9.269 11.112 48 H4* G 5 H4' G 5 -0.093 8.612 11.707 49 H3* G 5 H3' G 5 1.622 9.116 14.034 50 H1* G 5 H1' G 5 -1.028 6.623 13.884 51 H8 G 5 H8 G 5 2.630 5.009 13.658 52 H1 G 5 H1 G 5 -2.103 0.645 13.776 53 1H2 G 5 1H2 G 5 -4.239 3.432 13.641 54 2H2 G 5 2H2 G 5 -4.116 1.688 13.685 55 2H2* G 5 1H2' G 5 0.620 7.399 15.435 56 1H2* G 5 2H2' G 5 1.904 6.986 14.407 57 1H5* C 6 1H5' C 6 -2.705 8.212 13.613 58 2H5* C 6 2H5' C 6 -3.611 9.470 14.500 59 H4* C 6 H4' C 6 -4.895 7.351 14.645 60 H3* C 6 H3' C 6 -3.666 8.627 17.004 61 H1* C 6 H1' C 6 -4.636 5.095 16.258 62 1H4 C 6 1H4 C 6 1.569 2.534 17.364 63 2H4 C 6 2H4 C 6 0.467 1.174 17.350 64 H5 C 6 H5 C 6 0.810 4.850 17.096 65 H6 C 6 H6 C 6 -1.101 6.271 16.528 66 2H2* C 6 1H2' C 6 -4.419 6.278 18.181 67 1H2* C 6 2H2' C 6 -2.745 6.813 17.832 68 1H5* G 7 1H5' G 7 -6.786 5.753 17.035 69 2H5* G 7 2H5' G 7 -8.351 6.247 17.767 70 H4* G 7 H4' G 7 -8.078 3.910 18.295 71 H3* G 7 H3' G 7 -7.760 5.724 20.606 72 H1* G 7 H1' G 7 -6.366 2.311 19.776 73 H8 G 7 H8 G 7 -3.909 5.094 20.277 74 H1 G 7 H1 G 7 -1.100 -0.676 20.111 75 1H2 G 7 1H2 G 7 -4.381 -1.834 19.747 76 2H2 G 7 2H2 G 7 -2.695 -2.255 19.948 77 2H2* G 7 1H2' G 7 -6.479 3.580 21.700 78 1H2* G 7 2H2' G 7 -5.761 4.903 21.220 79 1H5* T 8 1H5' T 8 -8.162 1.253 20.316 80 2H5* T 8 2H5' T 8 -9.430 0.790 21.396 81 H4* T 8 H4' T 8 -7.883 -1.096 21.315 82 H3* T 8 H3' T 8 -8.621 0.232 23.793 83 1H2* T 8 2H2' T 8 -6.544 0.818 24.127 84 2H2* T 8 1H2' T 8 -6.369 -0.901 24.714 85 H1* T 8 H1' T 8 -5.451 -1.559 22.653 86 H3 T 8 H3 T 8 -1.212 -0.003 23.642 87 1H5M T 8 1H5M T 8 -2.637 4.479 22.901 88 2H5M T 8 2H5M T 8 -4.390 4.412 23.137 89 3H5M T 8 3H5M T 8 -3.286 4.281 24.514 90 H6 T 8 H6 T 8 -5.444 2.097 22.824 91 1H5* G 9 1H5' G 9 -5.221 -3.872 22.681 92 2H5* G 9 2H5' G 9 -6.338 -5.176 23.081 93 H4* G 9 H4' G 9 -4.386 -5.767 24.198 94 H3* G 9 H3' G 9 -6.588 -5.077 25.910 95 H1* G 9 H1' G 9 -2.946 -4.570 26.505 96 H8 G 9 H8 G 9 -4.562 -1.036 26.784 97 H1 G 9 H1 G 9 1.802 -1.055 25.853 98 1H2 G 9 1H2 G 9 1.409 -4.559 25.784 99 2H2 G 9 2H2 G 9 2.535 -3.225 25.719 100 2H2* G 9 1H2' G 9 -4.878 -4.138 27.851 101 1H2* G 9 2H2' G 9 -5.594 -3.094 26.602 102 1H5* G 10 1H5' G 10 -2.527 -6.862 26.555 103 2H5* G 10 2H5' G 10 -2.756 -8.395 27.424 104 H4* G 10 H4' G 10 -0.523 -7.854 27.657 105 H3* G 10 H3' G 10 -2.053 -8.147 29.947 106 H1* G 10 H1' G 10 0.543 -5.384 29.652 107 H8 G 10 H8 G 10 -3.005 -3.791 29.486 108 H1 G 10 H1 G 10 1.948 0.288 29.003 109 1H2 G 10 1H2 G 10 3.854 -2.619 28.626 110 2H2 G 10 2H2 G 10 3.838 -0.870 28.628 111 H3T G 10 HO3 G 10 0.096 -8.953 29.613 112 2H2* G 10 1H2' G 10 -0.915 -6.109 31.352 113 1H2* G 10 2H2' G 10 -2.370 -5.835 30.353 114 1H5* C 1 1H5' C 1 8.916 6.167 29.465 115 2H5* C 1 2H5' C 1 7.244 5.856 28.966 116 H4* C 1 H4' C 1 9.261 3.783 29.958 117 H3* C 1 H3' C 1 9.306 4.833 27.450 118 H1* C 1 H1' C 1 7.274 1.726 28.029 119 1H4 C 1 1H4 C 1 0.799 3.619 28.167 120 2H4 C 1 2H4 C 1 0.804 1.874 28.207 121 H5 C 1 H5 C 1 2.855 4.971 28.225 122 H6 C 1 H6 C 1 5.258 4.881 28.212 123 H5T C 1 H5' C 1 8.343 5.285 31.519 124 2H2* C 1 1H2' C 1 7.618 3.114 26.210 125 1H2* C 1 2H2' C 1 7.007 4.556 27.025 126 1H5* C 2 1H5' C 2 8.916 0.253 28.180 127 2H5* C 2 2H5' C 2 10.341 -0.432 27.455 128 H4* C 2 H4' C 2 8.579 -2.146 27.491 129 H3* C 2 H3' C 2 9.857 -1.530 25.071 130 H1* C 2 H1' C 2 6.319 -2.333 25.580 131 1H4 C 2 1H4 C 2 2.616 3.314 24.894 132 2H4 C 2 2H4 C 2 1.498 1.981 25.112 133 H5 C 2 H5 C 2 5.096 2.978 24.951 134 H6 C 2 H6 C 2 6.818 1.344 25.070 135 2H2* C 2 1H2' C 2 7.521 -1.727 23.615 136 1H2* C 2 2H2' C 2 8.072 -0.194 24.299 137 1H5* A 3 1H5' A 3 5.878 -4.581 25.441 138 2H5* A 3 2H5' A 3 6.963 -5.997 25.037 139 H4* A 3 H4' A 3 4.800 -6.598 24.714 140 H3* A 3 H3' A 3 6.504 -6.393 22.623 141 H1* A 3 H1' A 3 3.029 -5.340 22.709 142 H8 A 3 H8 A 3 5.364 -2.241 21.979 143 1H6 A 3 1H6 A 3 0.381 1.341 22.704 144 2H6 A 3 2H6 A 3 2.116 1.294 22.471 145 H2 A 3 H2 A 3 -0.989 -2.910 22.946 146 2H2* A 3 1H2' A 3 4.502 -5.334 20.855 147 1H2* A 3 2H2' A 3 5.650 -4.386 21.736 148 1H5* C 4 1H5' C 4 2.718 -7.391 22.791 149 2H5* C 4 2H5' C 4 2.405 -9.049 22.341 150 H4* C 4 H4' C 4 0.203 -7.961 22.129 151 H3* C 4 H3' C 4 1.561 -8.976 19.732 152 H1* C 4 H1' C 4 -0.749 -6.162 20.210 153 1H4 C 4 1H4 C 4 2.460 -0.310 19.040 154 2H4 C 4 2H4 C 4 0.780 0.104 19.287 155 H5 C 4 H5 C 4 3.308 -2.625 19.153 156 H6 C 4 H6 C 4 2.681 -4.880 19.468 157 2H2* C 4 1H2' C 4 0.610 -7.085 18.391 158 1H2* C 4 2H2' C 4 2.007 -6.807 19.132 159 1H5* G 5 1H5' G 5 -2.721 -7.386 19.846 160 2H5* G 5 2H5' G 5 -3.663 -8.816 19.336 161 H4* G 5 H4' G 5 -5.045 -7.011 18.708 162 H3* G 5 H3' G 5 -3.905 -8.437 16.403 163 H1* G 5 H1' G 5 -4.626 -4.868 16.521 164 H8 G 5 H8 G 5 -0.708 -5.669 16.754 165 H1 G 5 H1 G 5 -2.055 0.626 16.636 166 1H2 G 5 1H2 G 5 -5.406 -0.418 16.774 167 2H2 G 5 2H2 G 5 -4.300 0.936 16.726 168 2H2* G 5 1H2' G 5 -3.729 -6.468 14.987 169 1H2* G 5 2H2' G 5 -2.448 -6.868 16.023 170 1H5* C 6 1H5' C 6 -6.911 -5.214 16.795 171 2H5* C 6 2H5' C 6 -8.377 -5.717 15.908 172 H4* C 6 H4' C 6 -8.200 -3.245 15.763 173 H3* C 6 H3' C 6 -7.938 -4.998 13.407 174 H1* C 6 H1' C 6 -6.675 -1.557 14.155 175 1H4 C 6 1H4 C 6 -0.133 -3.060 13.056 176 2H4 C 6 2H4 C 6 -0.246 -1.313 13.077 177 H5 C 6 H5 C 6 -2.097 -4.512 13.314 178 H6 C 6 H6 C 6 -4.479 -4.562 13.872 179 2H2* C 6 1H2' C 6 -7.186 -2.644 12.234 180 1H2* C 6 2H2' C 6 -6.133 -4.053 12.578 181 1H5* G 7 1H5' G 7 -8.809 -0.848 13.395 182 2H5* G 7 2H5' G 7 -10.373 -0.346 12.669 183 H4* G 7 H4' G 7 -8.820 1.418 12.191 184 H3* G 7 H3' G 7 -9.626 -0.174 9.847 185 H1* G 7 H1' G 7 -6.461 1.727 10.630 186 H8 G 7 H8 G 7 -6.118 -1.973 10.129 187 H1 G 7 H1 G 7 -0.465 1.063 10.291 188 1H2 G 7 1H2 G 7 -2.450 3.914 10.695 189 2H2 G 7 2H2 G 7 -0.837 3.274 10.476 190 2H2* G 7 1H2' G 7 -7.343 0.757 8.725 191 1H2* G 7 2H2' G 7 -7.530 -0.723 9.237 192 1H5* T 8 1H5' T 8 -7.285 3.683 10.248 193 2H5* T 8 2H5' T 8 -8.036 4.822 9.173 194 H4* T 8 H4' T 8 -5.654 5.450 9.285 195 H3* T 8 H3' T 8 -7.088 5.015 6.830 196 1H2* T 8 2H2' T 8 -5.896 3.169 6.447 197 2H2* T 8 1H2' T 8 -4.747 4.404 5.782 198 H1* T 8 H1' T 8 -3.511 4.440 7.772 199 H3 T 8 H3 T 8 -0.971 0.716 6.707 200 1H5M T 8 1H5M T 8 -5.184 -1.533 5.898 201 2H5M T 8 2H5M T 8 -4.722 -2.119 7.484 202 3H5M T 8 3H5M T 8 -6.111 -1.032 7.320 203 H6 T 8 H6 T 8 -5.614 1.431 7.685 204 1H5* G 9 1H5' G 9 -2.942 6.383 7.125 205 2H5* G 9 2H5' G 9 -3.016 8.058 6.715 206 H4* G 9 H4' G 9 -0.802 7.438 6.152 207 H3* G 9 H3' G 9 -2.416 8.100 3.911 208 H1* G 9 H1' G 9 0.204 5.488 4.109 209 H8 G 9 H8 G 9 -3.212 3.568 3.688 210 H1 G 9 H1 G 9 1.988 -0.133 4.513 211 1H2 G 9 1H2 G 9 3.693 2.942 4.738 212 2H2 G 9 2H2 G 9 3.835 1.200 4.748 213 2H2* G 9 1H2' G 9 -1.248 6.167 2.330 214 1H2* G 9 2H2' G 9 -2.698 5.818 3.302 215 1H5* G 10 1H5' G 10 1.998 6.972 4.206 216 2H5* G 10 2H5' G 10 2.853 8.359 3.499 217 H4* G 10 H4' G 10 4.382 6.621 3.539 218 H3* G 10 H3' G 10 3.776 7.795 1.112 219 H1* G 10 H1' G 10 4.202 4.024 1.422 220 H8 G 10 H8 G 10 0.406 4.847 1.089 221 H1 G 10 H1 G 10 1.910 -1.395 1.397 222 1H2 G 10 1H2 G 10 5.159 -0.220 1.993 223 2H2 G 10 2H2 G 10 4.115 -1.614 1.847 224 H3T G 10 HO3 G 10 5.687 6.747 0.370 225 2H2* G 10 1H2' G 10 3.780 5.499 -0.365 226 1H2* G 10 2H2' G 10 2.270 6.105 0.371 Start of MODEL 16 1 1H5* C 1 1H5' C 1 3.570 -10.389 1.265 2 2H5* C 1 2H5' C 1 2.421 -9.115 1.718 3 H4* C 1 H4' C 1 5.275 -8.708 0.703 4 H3* C 1 H3' C 1 4.676 -9.426 3.257 5 H1* C 1 H1' C 1 4.905 -5.775 2.455 6 1H4 C 1 1H4 C 1 -1.391 -3.380 2.103 7 2H4 C 1 2H4 C 1 -0.319 -2.004 1.991 8 H5 C 1 H5 C 1 -0.575 -5.709 2.192 9 H6 C 1 H6 C 1 1.405 -7.085 2.334 10 H5T C 1 H5' C 1 2.742 -8.296 -0.450 11 2H2* C 1 1H2' C 1 4.332 -6.976 4.354 12 1H2* C 1 2H2' C 1 2.988 -7.815 3.576 13 1H5* C 2 1H5' C 2 7.093 -5.499 2.347 14 2H5* C 2 2H5' C 2 8.635 -5.766 3.111 15 H4* C 2 H4' C 2 8.227 -3.341 2.992 16 H3* C 2 H3' C 2 8.862 -4.537 5.448 17 H1* C 2 H1' C 2 6.506 -1.793 4.849 18 1H4 C 2 1H4 C 2 0.158 -4.109 5.408 19 2H4 C 2 2H4 C 2 0.053 -2.375 5.177 20 H5 C 2 H5 C 2 2.344 -5.310 5.455 21 H6 C 2 H6 C 2 4.709 -5.022 5.405 22 2H2* C 2 1H2' C 2 7.097 -2.956 6.846 23 1H2* C 2 2H2' C 2 6.621 -4.527 6.195 24 1H5* A 3 1H5' A 3 7.467 0.281 5.033 25 2H5* A 3 2H5' A 3 9.171 0.793 5.454 26 H4* A 3 H4' A 3 7.749 2.534 5.790 27 H3* A 3 H3' A 3 9.012 1.352 7.873 28 H1* A 3 H1' A 3 5.589 2.540 7.774 29 H8 A 3 H8 A 3 5.644 -1.336 8.522 30 1H6 A 3 1H6 A 3 -0.477 -1.312 7.654 31 2H6 A 3 2H6 A 3 0.949 -2.293 7.919 32 H2 A 3 H2 A 3 0.913 2.937 7.492 33 2H2* A 3 1H2' A 3 6.767 1.672 9.637 34 1H2* A 3 2H2' A 3 7.145 0.228 8.755 35 1H5* C 4 1H5' C 4 6.539 4.385 7.697 36 2H5* C 4 2H5' C 4 7.257 5.911 8.149 37 H4* C 4 H4' C 4 4.833 6.323 8.343 38 H3* C 4 H3' C 4 6.511 6.359 10.751 39 H1* C 4 H1' C 4 2.997 5.421 10.254 40 1H4 C 4 1H4 C 4 2.180 -1.206 11.398 41 2H4 C 4 2H4 C 4 0.576 -0.568 11.128 42 H5 C 4 H5 C 4 4.214 0.181 11.331 43 H6 C 4 H6 C 4 5.027 2.381 11.019 44 2H2* C 4 1H2' C 4 4.626 5.378 12.083 45 1H2* C 4 2H2' C 4 5.604 4.339 11.351 46 1H5* G 5 1H5' G 5 2.102 7.565 10.599 47 2H5* G 5 2H5' G 5 2.163 9.276 11.113 48 H4* G 5 H4' G 5 -0.019 8.604 11.713 49 H3* G 5 H3' G 5 1.709 9.117 14.035 50 H1* G 5 H1' G 5 -0.942 6.620 13.896 51 H8 G 5 H8 G 5 2.719 5.006 13.708 52 H1 G 5 H1 G 5 -2.022 0.650 13.783 53 1H2 G 5 1H2 G 5 -4.151 3.440 13.622 54 2H2 G 5 2H2 G 5 -4.032 1.696 13.673 55 2H2* G 5 1H2' G 5 0.698 7.413 15.446 56 1H2* G 5 2H2' G 5 1.987 6.993 14.425 57 1H5* C 6 1H5' C 6 -2.604 8.221 13.596 58 2H5* C 6 2H5' C 6 -3.522 9.479 14.470 59 H4* C 6 H4' C 6 -4.803 7.355 14.601 60 H3* C 6 H3' C 6 -3.612 8.645 16.970 61 H1* C 6 H1' C 6 -4.547 5.101 16.221 62 1H4 C 6 1H4 C 6 1.652 2.566 17.404 63 2H4 C 6 2H4 C 6 0.554 1.202 17.370 64 H5 C 6 H5 C 6 0.885 4.884 17.135 65 H6 C 6 H6 C 6 -1.026 6.295 16.548 66 2H2* C 6 1H2' C 6 -4.363 6.291 18.141 67 1H2* C 6 2H2' C 6 -2.687 6.837 17.815 68 1H5* G 7 1H5' G 7 -6.712 5.750 16.944 69 2H5* G 7 2H5' G 7 -8.289 6.235 17.652 70 H4* G 7 H4' G 7 -8.030 3.899 18.130 71 H3* G 7 H3' G 7 -7.816 5.668 20.478 72 H1* G 7 H1' G 7 -6.298 2.296 19.719 73 H8 G 7 H8 G 7 -3.908 5.135 20.257 74 H1 G 7 H1 G 7 -1.010 -0.591 20.155 75 1H2 G 7 1H2 G 7 -4.264 -1.791 19.710 76 2H2 G 7 2H2 G 7 -2.578 -2.190 19.955 77 2H2* G 7 1H2' G 7 -6.495 3.596 21.621 78 1H2* G 7 2H2' G 7 -5.794 4.917 21.121 79 1H5* T 8 1H5' T 8 -8.098 1.163 20.072 80 2H5* T 8 2H5' T 8 -9.383 0.659 21.126 81 H4* T 8 H4' T 8 -7.788 -1.218 21.041 82 H3* T 8 H3' T 8 -8.755 -0.040 23.480 83 1H2* T 8 2H2' T 8 -6.727 0.790 23.896 84 2H2* T 8 1H2' T 8 -6.505 -0.880 24.565 85 H1* T 8 H1' T 8 -5.479 -1.618 22.593 86 H3 T 8 H3 T 8 -1.281 -0.021 23.722 87 1H5M T 8 1H5M T 8 -3.459 4.237 24.494 88 2H5M T 8 2H5M T 8 -2.719 4.451 22.921 89 3H5M T 8 3H5M T 8 -4.483 4.356 23.056 90 H6 T 8 H6 T 8 -5.480 2.054 22.678 91 1H5* G 9 1H5' G 9 -6.137 -3.538 23.221 92 2H5* G 9 2H5' G 9 -7.160 -4.870 23.619 93 H4* G 9 H4' G 9 -4.996 -5.625 24.208 94 H3* G 9 H3' G 9 -6.732 -5.251 26.425 95 H1* G 9 H1' G 9 -3.087 -4.603 26.281 96 H8 G 9 H8 G 9 -4.799 -1.077 26.684 97 H1 G 9 H1 G 9 1.596 -1.011 25.963 98 1H2 G 9 1H2 G 9 1.240 -4.508 25.722 99 2H2 G 9 2H2 G 9 2.352 -3.160 25.736 100 2H2* G 9 1H2' G 9 -4.692 -4.336 28.037 101 1H2* G 9 2H2' G 9 -5.669 -3.218 27.053 102 1H5* G 10 1H5' G 10 -2.459 -6.844 26.187 103 2H5* G 10 2H5' G 10 -2.559 -8.473 26.889 104 H4* G 10 H4' G 10 -0.311 -7.916 26.880 105 H3* G 10 H3' G 10 -1.512 -8.544 29.291 106 H1* G 10 H1' G 10 0.994 -5.690 29.026 107 H8 G 10 H8 G 10 -2.599 -4.201 29.310 108 H1 G 10 H1 G 10 2.203 0.067 29.088 109 1H2 G 10 1H2 G 10 4.208 -2.749 28.510 110 2H2 G 10 2H2 G 10 4.143 -1.009 28.659 111 H3T G 10 HO3 G 10 0.579 -9.238 28.577 112 2H2* G 10 1H2' G 10 -0.219 -6.670 30.791 113 1H2* G 10 2H2' G 10 -1.796 -6.301 30.036 114 1H5* C 1 1H5' C 1 8.780 6.388 29.278 115 2H5* C 1 2H5' C 1 7.092 6.012 28.884 116 H4* C 1 H4' C 1 9.193 4.029 29.885 117 H3* C 1 H3' C 1 9.146 4.975 27.335 118 H1* C 1 H1' C 1 7.217 1.859 28.095 119 1H4 C 1 1H4 C 1 0.689 3.533 28.378 120 2H4 C 1 2H4 C 1 0.768 1.790 28.479 121 H5 C 1 H5 C 1 2.701 4.963 28.325 122 H6 C 1 H6 C 1 5.113 4.946 28.215 123 H5T C 1 H5' C 1 7.353 6.796 31.012 124 2H2* C 1 1H2' C 1 7.463 3.183 26.208 125 1H2* C 1 2H2' C 1 6.842 4.639 26.992 126 1H5* C 2 1H5' C 2 8.846 0.372 28.215 127 2H5* C 2 2H5' C 2 10.268 -0.295 27.463 128 H4* C 2 H4' C 2 8.534 -2.041 27.555 129 H3* C 2 H3' C 2 9.770 -1.420 25.116 130 H1* C 2 H1' C 2 6.256 -2.304 25.673 131 1H4 C 2 1H4 C 2 2.416 3.254 25.088 132 2H4 C 2 2H4 C 2 1.327 1.899 25.301 133 H5 C 2 H5 C 2 4.895 2.972 25.072 134 H6 C 2 H6 C 2 6.659 1.373 25.136 135 2H2* C 2 1H2' C 2 7.430 -1.687 23.690 136 1H2* C 2 2H2' C 2 7.942 -0.133 24.353 137 1H5* A 3 1H5' A 3 5.846 -4.549 25.474 138 2H5* A 3 2H5' A 3 6.944 -5.950 25.060 139 H4* A 3 H4' A 3 4.780 -6.546 24.698 140 H3* A 3 H3' A 3 6.518 -6.305 22.634 141 H1* A 3 H1' A 3 3.037 -5.296 22.699 142 H8 A 3 H8 A 3 5.330 -2.164 21.984 143 1H6 A 3 1H6 A 3 0.312 1.353 22.804 144 2H6 A 3 2H6 A 3 2.045 1.331 22.557 145 H2 A 3 H2 A 3 -1.011 -2.918 22.945 146 2H2* A 3 1H2' A 3 4.520 -5.264 20.853 147 1H2* A 3 2H2' A 3 5.654 -4.306 21.749 148 1H5* C 4 1H5' C 4 2.746 -7.351 22.772 149 2H5* C 4 2H5' C 4 2.451 -9.009 22.312 150 H4* C 4 H4' C 4 0.238 -7.938 22.101 151 H3* C 4 H3' C 4 1.604 -8.941 19.706 152 H1* C 4 H1' C 4 -0.718 -6.139 20.180 153 1H4 C 4 1H4 C 4 2.463 -0.261 19.076 154 2H4 C 4 2H4 C 4 0.784 0.147 19.332 155 H5 C 4 H5 C 4 3.319 -2.569 19.149 156 H6 C 4 H6 C 4 2.706 -4.834 19.450 157 2H2* C 4 1H2' C 4 0.657 -7.046 18.363 158 1H2* C 4 2H2' C 4 2.044 -6.764 19.113 159 1H5* G 5 1H5' G 5 -2.693 -7.364 19.836 160 2H5* G 5 2H5' G 5 -3.626 -8.797 19.319 161 H4* G 5 H4' G 5 -5.023 -6.993 18.710 162 H3* G 5 H3' G 5 -3.893 -8.406 16.396 163 H1* G 5 H1' G 5 -4.620 -4.839 16.528 164 H8 G 5 H8 G 5 -0.701 -5.628 16.763 165 H1 G 5 H1 G 5 -2.062 0.665 16.647 166 1H2 G 5 1H2 G 5 -5.413 -0.387 16.766 167 2H2 G 5 2H2 G 5 -4.309 0.970 16.726 168 2H2* G 5 1H2' G 5 -3.718 -6.432 14.988 169 1H2* G 5 2H2' G 5 -2.435 -6.830 16.022 170 1H5* C 6 1H5' C 6 -6.905 -5.180 16.807 171 2H5* C 6 2H5' C 6 -8.371 -5.681 15.919 172 H4* C 6 H4' C 6 -8.191 -3.206 15.782 173 H3* C 6 H3' C 6 -7.941 -4.956 13.423 174 H1* C 6 H1' C 6 -6.669 -1.519 14.169 175 1H4 C 6 1H4 C 6 -0.129 -3.021 13.063 176 2H4 C 6 2H4 C 6 -0.241 -1.274 13.086 177 H5 C 6 H5 C 6 -2.093 -4.473 13.314 178 H6 C 6 H6 C 6 -4.474 -4.524 13.879 179 2H2* C 6 1H2' C 6 -7.184 -2.607 12.249 180 1H2* C 6 2H2' C 6 -6.133 -4.018 12.592 181 1H5* G 7 1H5' G 7 -8.801 -0.799 13.416 182 2H5* G 7 2H5' G 7 -10.363 -0.291 12.690 183 H4* G 7 H4' G 7 -8.802 1.466 12.211 184 H3* G 7 H3' G 7 -9.624 -0.121 9.869 185 H1* G 7 H1' G 7 -6.448 1.765 10.640 186 H8 G 7 H8 G 7 -6.124 -1.936 10.140 187 H1 G 7 H1 G 7 -0.455 1.071 10.288 188 1H2 G 7 1H2 G 7 -2.425 3.932 10.688 189 2H2 G 7 2H2 G 7 -0.815 3.284 10.470 190 2H2* G 7 1H2' G 7 -7.340 0.798 8.739 191 1H2* G 7 2H2' G 7 -7.533 -0.681 9.252 192 1H5* T 8 1H5' T 8 -7.260 3.727 10.260 193 2H5* T 8 2H5' T 8 -8.008 4.869 9.187 194 H4* T 8 H4' T 8 -5.623 5.483 9.291 195 H3* T 8 H3' T 8 -7.066 5.054 6.840 196 1H2* T 8 2H2' T 8 -5.885 3.201 6.456 197 2H2* T 8 1H2' T 8 -4.731 4.428 5.786 198 H1* T 8 H1' T 8 -3.490 4.460 7.773 199 H3 T 8 H3 T 8 -0.971 0.721 6.711 200 1H5M T 8 1H5M T 8 -6.121 -0.997 7.329 201 2H5M T 8 2H5M T 8 -5.199 -1.505 5.907 202 3H5M T 8 3H5M T 8 -4.739 -2.093 7.492 203 H6 T 8 H6 T 8 -5.610 1.462 7.694 204 1H5* G 9 1H5' G 9 -2.913 6.399 7.123 205 2H5* G 9 2H5' G 9 -2.975 8.073 6.708 206 H4* G 9 H4' G 9 -0.768 7.434 6.144 207 H3* G 9 H3' G 9 -2.380 8.105 3.904 208 H1* G 9 H1' G 9 0.220 5.473 4.103 209 H8 G 9 H8 G 9 -3.210 3.579 3.686 210 H1 G 9 H1 G 9 1.962 -0.160 4.512 211 1H2 G 9 1H2 G 9 3.689 2.904 4.735 212 2H2 G 9 2H2 G 9 3.819 1.160 4.744 213 2H2* G 9 1H2' G 9 -1.227 6.162 2.325 214 1H2* G 9 2H2' G 9 -2.680 5.825 3.298 215 1H5* G 10 1H5' G 10 2.026 6.941 4.198 216 2H5* G 10 2H5' G 10 2.892 8.320 3.486 217 H4* G 10 H4' G 10 4.404 6.567 3.531 218 H3* G 10 H3' G 10 3.808 7.742 1.099 219 H1* G 10 H1' G 10 4.205 3.969 1.417 220 H8 G 10 H8 G 10 0.414 4.821 1.085 221 H1 G 10 H1 G 10 1.871 -1.432 1.400 222 1H2 G 10 1H2 G 10 5.129 -0.281 1.996 223 2H2 G 10 2H2 G 10 4.073 -1.667 1.852 224 H3T G 10 HO3 G 10 5.910 7.114 1.839 225 2H2* G 10 1H2' G 10 3.796 5.446 -0.371 226 1H2* G 10 2H2' G 10 2.289 6.064 0.362 Start of MODEL 17 1 1H5* C 1 1H5' C 1 3.829 -10.267 1.167 2 2H5* C 1 2H5' C 1 2.641 -9.024 1.601 3 H4* C 1 H4' C 1 5.474 -8.540 0.555 4 H3* C 1 H3' C 1 4.934 -9.284 3.113 5 H1* C 1 H1' C 1 5.055 -5.625 2.331 6 1H4 C 1 1H4 C 1 -1.305 -3.393 2.076 7 2H4 C 1 2H4 C 1 -0.270 -1.989 1.959 8 H5 C 1 H5 C 1 -0.426 -5.700 2.142 9 H6 C 1 H6 C 1 1.591 -7.025 2.246 10 H5T C 1 H5' C 1 3.850 -9.342 -0.946 11 2H2* C 1 1H2' C 1 4.541 -6.853 4.230 12 1H2* C 1 2H2' C 1 3.208 -7.721 3.463 13 1H5* C 2 1H5' C 2 7.232 -5.289 2.190 14 2H5* C 2 2H5' C 2 8.792 -5.519 2.930 15 H4* C 2 H4' C 2 8.315 -3.105 2.834 16 H3* C 2 H3' C 2 9.024 -4.301 5.269 17 H1* C 2 H1' C 2 6.584 -1.618 4.732 18 1H4 C 2 1H4 C 2 0.310 -4.107 5.361 19 2H4 C 2 2H4 C 2 0.155 -2.375 5.148 20 H5 C 2 H5 C 2 2.528 -5.248 5.372 21 H6 C 2 H6 C 2 4.882 -4.899 5.289 22 2H2* C 2 1H2' C 2 7.240 -2.782 6.709 23 1H2* C 2 2H2' C 2 6.795 -4.359 6.052 24 1H5* A 3 1H5' A 3 7.487 0.482 4.916 25 2H5* A 3 2H5' A 3 9.185 1.036 5.310 26 H4* A 3 H4' A 3 7.727 2.737 5.688 27 H3* A 3 H3' A 3 9.057 1.568 7.736 28 H1* A 3 H1' A 3 5.596 2.662 7.713 29 H8 A 3 H8 A 3 5.776 -1.217 8.424 30 1H6 A 3 1H6 A 3 -0.355 -1.375 7.655 31 2H6 A 3 2H6 A 3 1.105 -2.310 7.899 32 H2 A 3 H2 A 3 0.904 2.917 7.480 33 2H2* A 3 1H2' A 3 6.837 1.810 9.541 34 1H2* A 3 2H2' A 3 7.238 0.385 8.637 35 1H5* C 4 1H5' C 4 6.503 4.533 7.631 36 2H5* C 4 2H5' C 4 7.178 6.078 8.083 37 H4* C 4 H4' C 4 4.741 6.400 8.303 38 H3* C 4 H3' C 4 6.434 6.500 10.700 39 H1* C 4 H1' C 4 2.960 5.413 10.224 40 1H4 C 4 1H4 C 4 2.417 -1.233 11.412 41 2H4 C 4 2H4 C 4 0.788 -0.653 11.159 42 H5 C 4 H5 C 4 4.399 0.230 11.306 43 H6 C 4 H6 C 4 5.124 2.458 10.974 44 2H2* C 4 1H2' C 4 4.603 5.427 12.041 45 1H2* C 4 2H2' C 4 5.620 4.439 11.296 46 1H5* G 5 1H5' G 5 2.020 7.550 10.462 47 2H5* G 5 2H5' G 5 1.940 9.243 11.025 48 H4* G 5 H4' G 5 -0.214 8.352 11.430 49 H3* G 5 H3' G 5 1.160 9.211 13.792 50 H1* G 5 H1' G 5 -1.020 6.377 13.665 51 H8 G 5 H8 G 5 2.725 4.973 13.678 52 H1 G 5 H1 G 5 -1.792 0.380 13.867 53 1H2 G 5 1H2 G 5 -4.056 3.045 13.642 54 2H2 G 5 2H2 G 5 -3.846 1.313 13.759 55 2H2* G 5 1H2' G 5 0.543 7.308 15.243 56 1H2* G 5 2H2' G 5 1.869 6.982 14.234 57 1H5* C 6 1H5' C 6 -2.929 7.725 13.290 58 2H5* C 6 2H5' C 6 -4.459 8.609 13.279 59 H4* C 6 H4' C 6 -5.223 7.045 14.630 60 H3* C 6 H3' C 6 -3.597 8.601 16.618 61 H1* C 6 H1' C 6 -4.748 5.022 16.260 62 1H4 C 6 1H4 C 6 1.448 2.492 17.314 63 2H4 C 6 2H4 C 6 0.343 1.137 17.386 64 H5 C 6 H5 C 6 0.703 4.787 16.896 65 H6 C 6 H6 C 6 -1.223 6.182 16.318 66 2H2* C 6 1H2' C 6 -4.496 6.362 18.013 67 1H2* C 6 2H2' C 6 -2.816 6.823 17.643 68 1H5* G 7 1H5' G 7 -6.797 6.002 16.980 69 2H5* G 7 2H5' G 7 -8.331 6.579 17.719 70 H4* G 7 H4' G 7 -8.135 4.235 18.241 71 H3* G 7 H3' G 7 -7.812 6.047 20.540 72 H1* G 7 H1' G 7 -6.371 2.625 19.813 73 H8 G 7 H8 G 7 -3.945 5.450 20.240 74 H1 G 7 H1 G 7 -1.097 -0.304 20.178 75 1H2 G 7 1H2 G 7 -4.366 -1.483 19.758 76 2H2 G 7 2H2 G 7 -2.682 -1.895 19.994 77 2H2* G 7 1H2' G 7 -6.515 3.960 21.692 78 1H2* G 7 2H2' G 7 -5.804 5.260 21.162 79 1H5* T 8 1H5' T 8 -8.201 1.562 20.225 80 2H5* T 8 2H5' T 8 -9.470 1.094 21.313 81 H4* T 8 H4' T 8 -7.916 -0.819 21.221 82 H3* T 8 H3' T 8 -8.781 0.419 23.679 83 1H2* T 8 2H2' T 8 -6.716 1.182 24.028 84 2H2* T 8 1H2' T 8 -6.534 -0.494 24.684 85 H1* T 8 H1' T 8 -5.557 -1.247 22.689 86 H3 T 8 H3 T 8 -1.321 0.286 23.749 87 1H5M T 8 1H5M T 8 -3.407 4.591 24.479 88 2H5M T 8 2H5M T 8 -2.673 4.767 22.897 89 3H5M T 8 3H5M T 8 -4.437 4.710 23.045 90 H6 T 8 H6 T 8 -5.499 2.421 22.754 91 1H5* G 9 1H5' G 9 -6.331 -3.140 23.246 92 2H5* G 9 2H5' G 9 -7.393 -4.434 23.662 93 H4* G 9 H4' G 9 -5.246 -5.314 24.100 94 H3* G 9 H3' G 9 -6.831 -4.919 26.424 95 H1* G 9 H1' G 9 -3.177 -4.457 26.089 96 H8 G 9 H8 G 9 -4.679 -0.847 26.630 97 H1 G 9 H1 G 9 1.704 -1.154 25.861 98 1H2 G 9 1H2 G 9 1.115 -4.612 25.470 99 2H2 G 9 2H2 G 9 2.316 -3.342 25.504 100 2H2* G 9 1H2' G 9 -4.666 -4.148 27.941 101 1H2* G 9 2H2' G 9 -5.632 -2.956 27.036 102 1H5* G 10 1H5' G 10 -2.661 -6.719 25.905 103 2H5* G 10 2H5' G 10 -2.830 -8.365 26.552 104 H4* G 10 H4' G 10 -0.549 -7.938 26.443 105 H3* G 10 H3' G 10 -1.677 -8.616 28.872 106 H1* G 10 H1' G 10 0.976 -5.891 28.629 107 H8 G 10 H8 G 10 -2.527 -4.227 29.097 108 H1 G 10 H1 G 10 2.515 -0.238 29.070 109 1H2 G 10 1H2 G 10 4.369 -3.153 28.436 110 2H2 G 10 2H2 G 10 4.411 -1.422 28.675 111 H3T G 10 HO3 G 10 1.068 -8.102 28.291 112 2H2* G 10 1H2' G 10 -0.198 -6.904 30.398 113 1H2* G 10 2H2' G 10 -1.786 -6.409 29.749 114 1H5* C 1 1H5' C 1 9.325 5.749 29.713 115 2H5* C 1 2H5' C 1 7.634 5.523 29.223 116 H4* C 1 H4' C 1 9.542 3.350 30.215 117 H3* C 1 H3' C 1 9.588 4.355 27.686 118 H1* C 1 H1' C 1 7.420 1.390 28.373 119 1H4 C 1 1H4 C 1 1.026 3.521 28.570 120 2H4 C 1 2H4 C 1 0.993 1.773 28.651 121 H5 C 1 H5 C 1 3.141 4.814 28.600 122 H6 C 1 H6 C 1 5.552 4.623 28.532 123 H5T C 1 H5' C 1 7.318 4.626 31.362 124 2H2* C 1 1H2' C 1 7.775 2.731 26.511 125 1H2* C 1 2H2' C 1 7.269 4.215 27.324 126 1H5* C 2 1H5' C 2 8.905 -0.235 28.463 127 2H5* C 2 2H5' C 2 10.263 -1.010 27.693 128 H4* C 2 H4' C 2 8.361 -2.584 27.762 129 H3* C 2 H3' C 2 9.700 -2.072 25.357 130 H1* C 2 H1' C 2 6.111 -2.625 25.823 131 1H4 C 2 1H4 C 2 2.817 3.293 25.371 132 2H4 C 2 2H4 C 2 1.613 2.025 25.507 133 H5 C 2 H5 C 2 5.266 2.784 25.352 134 H6 C 2 H6 C 2 6.876 1.013 25.390 135 2H2* C 2 1H2' C 2 7.377 -2.104 23.872 136 1H2* C 2 2H2' C 2 8.014 -0.607 24.564 137 1H5* A 3 1H5' A 3 5.498 -4.776 25.474 138 2H5* A 3 2H5' A 3 6.319 -6.297 24.933 139 H4* A 3 H4' A 3 4.079 -6.366 24.400 140 H3* A 3 H3' A 3 6.000 -6.346 22.484 141 H1* A 3 H1' A 3 2.859 -4.713 22.488 142 H8 A 3 H8 A 3 5.433 -1.792 21.932 143 1H6 A 3 1H6 A 3 0.640 2.067 22.801 144 2H6 A 3 2H6 A 3 2.378 1.965 22.570 145 H2 A 3 H2 A 3 -0.954 -2.082 22.848 146 2H2* A 3 1H2' A 3 4.488 -4.728 20.749 147 1H2* A 3 2H2' A 3 5.668 -4.024 21.829 148 1H5* C 4 1H5' C 4 2.238 -6.625 23.097 149 2H5* C 4 2H5' C 4 1.031 -7.678 23.792 150 H4* C 4 H4' C 4 -0.360 -7.397 22.062 151 H3* C 4 H3' C 4 1.807 -8.437 20.271 152 H1* C 4 H1' C 4 -0.764 -5.786 19.918 153 1H4 C 4 1H4 C 4 2.502 0.096 19.144 154 2H4 C 4 2H4 C 4 0.827 0.509 19.428 155 H5 C 4 H5 C 4 3.346 -2.237 19.199 156 H6 C 4 H6 C 4 2.731 -4.443 19.299 157 2H2* C 4 1H2' C 4 0.852 -6.924 18.505 158 1H2* C 4 2H2' C 4 2.099 -6.422 19.385 159 1H5* G 5 1H5' G 5 -2.494 -7.384 19.869 160 2H5* G 5 2H5' G 5 -3.290 -8.907 19.376 161 H4* G 5 H4' G 5 -4.849 -7.212 18.773 162 H3* G 5 H3' G 5 -3.684 -8.567 16.463 163 H1* G 5 H1' G 5 -4.606 -5.029 16.581 164 H8 G 5 H8 G 5 -0.689 -5.721 16.897 165 H1 G 5 H1 G 5 -2.110 0.552 16.680 166 1H2 G 5 1H2 G 5 -5.447 -0.519 16.824 167 2H2 G 5 2H2 G 5 -4.348 0.841 16.789 168 2H2* G 5 1H2' G 5 -3.649 -6.583 15.029 169 1H2* G 5 2H2' G 5 -2.346 -6.943 16.061 170 1H5* C 6 1H5' C 6 -6.917 -5.472 16.655 171 2H5* C 6 2H5' C 6 -8.336 -6.131 15.777 172 H4* C 6 H4' C 6 -8.323 -3.702 15.430 173 H3* C 6 H3' C 6 -7.499 -5.475 13.162 174 H1* C 6 H1' C 6 -6.755 -1.867 14.067 175 1H4 C 6 1H4 C 6 -0.124 -3.006 13.153 176 2H4 C 6 2H4 C 6 -0.321 -1.269 13.156 177 H5 C 6 H5 C 6 -1.985 -4.551 13.428 178 H6 C 6 H6 C 6 -4.410 -4.724 13.921 179 2H2* C 6 1H2' C 6 -7.168 -2.950 12.060 180 1H2* C 6 2H2' C 6 -5.927 -4.214 12.376 181 1H5* G 7 1H5' G 7 -8.721 -0.630 13.721 182 2H5* G 7 2H5' G 7 -10.238 -0.191 12.880 183 H4* G 7 H4' G 7 -8.549 1.343 12.213 184 H3* G 7 H3' G 7 -9.430 -0.524 10.046 185 H1* G 7 H1' G 7 -6.327 1.520 10.694 186 H8 G 7 H8 G 7 -5.886 -2.160 10.103 187 H1 G 7 H1 G 7 -0.337 1.044 10.299 188 1H2 G 7 1H2 G 7 -2.418 3.836 10.664 189 2H2 G 7 2H2 G 7 -0.785 3.248 10.449 190 2H2* G 7 1H2' G 7 -7.218 0.557 8.813 191 1H2* G 7 2H2' G 7 -7.369 -0.937 9.288 192 1H5* T 8 1H5' T 8 -7.274 3.374 10.230 193 2H5* T 8 2H5' T 8 -8.088 4.501 9.194 194 H4* T 8 H4' T 8 -5.722 5.224 9.255 195 H3* T 8 H3' T 8 -7.174 4.733 6.839 196 1H2* T 8 2H2' T 8 -5.910 2.955 6.403 197 2H2* T 8 1H2' T 8 -4.803 4.232 5.757 198 H1* T 8 H1' T 8 -3.556 4.271 7.737 199 H3 T 8 H3 T 8 -0.921 0.592 6.730 200 1H5M T 8 1H5M T 8 -4.652 -2.308 7.456 201 2H5M T 8 2H5M T 8 -6.047 -1.237 7.255 202 3H5M T 8 3H5M T 8 -5.092 -1.742 5.855 203 H6 T 8 H6 T 8 -5.601 1.213 7.579 204 1H5* G 9 1H5' G 9 -3.097 6.245 7.107 205 2H5* G 9 2H5' G 9 -3.219 7.921 6.719 206 H4* G 9 H4' G 9 -0.983 7.370 6.160 207 H3* G 9 H3' G 9 -2.599 8.030 3.923 208 H1* G 9 H1' G 9 0.077 5.473 4.092 209 H8 G 9 H8 G 9 -3.290 3.487 3.613 210 H1 G 9 H1 G 9 1.973 -0.115 4.483 211 1H2 G 9 1H2 G 9 3.617 2.995 4.702 212 2H2 G 9 2H2 G 9 3.794 1.255 4.710 213 2H2* G 9 1H2' G 9 -1.384 6.144 2.318 214 1H2* G 9 2H2' G 9 -2.830 5.751 3.279 215 1H5* G 10 1H5' G 10 1.843 6.987 4.217 216 2H5* G 10 2H5' G 10 2.672 8.397 3.525 217 H4* G 10 H4' G 10 4.233 6.688 3.546 218 H3* G 10 H3' G 10 3.603 7.873 1.131 219 H1* G 10 H1' G 10 4.108 4.109 1.405 220 H8 G 10 H8 G 10 0.297 4.855 1.068 221 H1 G 10 H1 G 10 1.926 -1.357 1.354 222 1H2 G 10 1H2 G 10 5.153 -0.120 1.946 223 2H2 G 10 2H2 G 10 4.136 -1.534 1.794 224 H3T G 10 HO3 G 10 5.537 6.875 0.382 225 2H2* G 10 1H2' G 10 3.654 5.592 -0.368 226 1H2* G 10 2H2' G 10 2.133 6.161 0.374 Start of MODEL 18 1 1H5* C 1 1H5' C 1 3.281 -9.589 0.483 2 2H5* C 1 2H5' C 1 3.782 -10.651 1.810 3 H4* C 1 H4' C 1 5.379 -8.912 1.485 4 H3* C 1 H3' C 1 4.178 -9.468 3.938 5 H1* C 1 H1' C 1 4.799 -5.849 2.824 6 1H4 C 1 1H4 C 1 -1.433 -3.449 2.102 7 2H4 C 1 2H4 C 1 -0.341 -2.108 1.856 8 H5 C 1 H5 C 1 -0.659 -5.766 2.423 9 H6 C 1 H6 C 1 1.280 -7.147 2.752 10 H5T C 1 H5' C 1 1.567 -10.124 1.893 11 2H2* C 1 1H2' C 1 4.260 -6.888 4.820 12 1H2* C 1 2H2' C 1 2.822 -7.682 4.150 13 1H5* C 2 1H5' C 2 6.905 -5.121 2.157 14 2H5* C 2 2H5' C 2 8.519 -5.390 2.817 15 H4* C 2 H4' C 2 7.995 -3.048 3.024 16 H3* C 2 H3' C 2 8.737 -4.480 5.328 17 H1* C 2 H1' C 2 6.334 -1.736 5.065 18 1H4 C 2 1H4 C 2 -0.014 -4.047 5.478 19 2H4 C 2 2H4 C 2 -0.110 -2.336 5.113 20 H5 C 2 H5 C 2 2.166 -5.226 5.725 21 H6 C 2 H6 C 2 4.535 -4.935 5.736 22 2H2* C 2 1H2' C 2 6.983 -3.075 6.927 23 1H2* C 2 2H2' C 2 6.542 -4.588 6.122 24 1H5* A 3 1H5' A 3 7.338 0.334 5.158 25 2H5* A 3 2H5' A 3 9.090 0.773 5.487 26 H4* A 3 H4' A 3 7.856 2.620 5.809 27 H3* A 3 H3' A 3 9.058 1.434 7.897 28 H1* A 3 H1' A 3 5.604 2.665 7.928 29 H8 A 3 H8 A 3 5.682 -1.235 8.508 30 1H6 A 3 1H6 A 3 -0.434 -1.205 7.642 31 2H6 A 3 2H6 A 3 0.992 -2.184 7.909 32 H2 A 3 H2 A 3 0.941 3.047 7.523 33 2H2* A 3 1H2' A 3 6.842 1.731 9.699 34 1H2* A 3 2H2' A 3 7.181 0.319 8.775 35 1H5* C 4 1H5' C 4 6.600 4.487 7.811 36 2H5* C 4 2H5' C 4 7.311 6.011 8.294 37 H4* C 4 H4' C 4 4.884 6.401 8.528 38 H3* C 4 H3' C 4 6.600 6.418 10.896 39 H1* C 4 H1' C 4 3.090 5.452 10.465 40 1H4 C 4 1H4 C 4 2.281 -1.211 11.409 41 2H4 C 4 2H4 C 4 0.684 -0.570 11.103 42 H5 C 4 H5 C 4 4.313 0.183 11.413 43 H6 C 4 H6 C 4 5.134 2.379 11.177 44 2H2* C 4 1H2' C 4 4.770 5.363 12.270 45 1H2* C 4 2H2' C 4 5.701 4.349 11.464 46 1H5* G 5 1H5' G 5 2.174 7.606 10.698 47 2H5* G 5 2H5' G 5 2.249 9.319 11.204 48 H4* G 5 H4' G 5 0.026 8.705 11.749 49 H3* G 5 H3' G 5 1.688 9.175 14.110 50 H1* G 5 H1' G 5 -0.975 6.701 13.892 51 H8 G 5 H8 G 5 2.666 5.068 13.647 52 H1 G 5 H1 G 5 -2.079 0.721 13.732 53 1H2 G 5 1H2 G 5 -4.204 3.517 13.585 54 2H2 G 5 2H2 G 5 -4.087 1.772 13.625 55 2H2* G 5 1H2' G 5 0.667 7.439 15.470 56 1H2* G 5 2H2' G 5 1.955 7.028 14.453 57 1H5* C 6 1H5' C 6 -2.651 8.289 13.614 58 2H5* C 6 2H5' C 6 -3.570 9.529 14.513 59 H4* C 6 H4' C 6 -4.845 7.397 14.607 60 H3* C 6 H3' C 6 -3.663 8.662 16.993 61 H1* C 6 H1' C 6 -4.589 5.126 16.202 62 1H4 C 6 1H4 C 6 1.599 2.570 17.387 63 2H4 C 6 2H4 C 6 0.501 1.208 17.344 64 H5 C 6 H5 C 6 0.840 4.888 17.128 65 H6 C 6 H6 C 6 -1.066 6.308 16.534 66 2H2* C 6 1H2' C 6 -4.402 6.291 18.136 67 1H2* C 6 2H2' C 6 -2.729 6.846 17.814 68 1H5* G 7 1H5' G 7 -6.756 5.746 16.940 69 2H5* G 7 2H5' G 7 -8.332 6.217 17.659 70 H4* G 7 H4' G 7 -8.058 3.877 18.118 71 H3* G 7 H3' G 7 -7.849 5.632 20.475 72 H1* G 7 H1' G 7 -6.319 2.271 19.693 73 H8 G 7 H8 G 7 -3.938 5.114 20.238 74 H1 G 7 H1 G 7 -1.018 -0.601 20.119 75 1H2 G 7 1H2 G 7 -4.266 -1.813 19.669 76 2H2 G 7 2H2 G 7 -2.579 -2.206 19.911 77 2H2* G 7 1H2' G 7 -6.516 3.560 21.603 78 1H2* G 7 2H2' G 7 -5.821 4.887 21.107 79 1H5* T 8 1H5' T 8 -8.111 1.127 20.048 80 2H5* T 8 2H5' T 8 -9.392 0.613 21.102 81 H4* T 8 H4' T 8 -7.787 -1.256 21.006 82 H3* T 8 H3' T 8 -8.756 -0.092 23.452 83 1H2* T 8 2H2' T 8 -6.731 0.745 23.868 84 2H2* T 8 1H2' T 8 -6.501 -0.926 24.531 85 H1* T 8 H1' T 8 -5.475 -1.653 22.554 86 H3 T 8 H3 T 8 -1.283 -0.042 23.688 87 1H5M T 8 1H5M T 8 -2.738 4.426 22.901 88 2H5M T 8 2H5M T 8 -4.502 4.324 23.035 89 3H5M T 8 3H5M T 8 -3.478 4.205 24.474 90 H6 T 8 H6 T 8 -5.491 2.018 22.651 91 1H5* G 9 1H5' G 9 -6.121 -3.578 23.176 92 2H5* G 9 2H5' G 9 -7.140 -4.915 23.570 93 H4* G 9 H4' G 9 -4.974 -5.666 24.156 94 H3* G 9 H3' G 9 -6.708 -5.304 26.375 95 H1* G 9 H1' G 9 -3.065 -4.646 26.230 96 H8 G 9 H8 G 9 -4.787 -1.125 26.643 97 H1 G 9 H1 G 9 1.608 -1.038 25.925 98 1H2 G 9 1H2 G 9 1.262 -4.536 25.677 99 2H2 G 9 2H2 G 9 2.371 -3.184 25.693 100 2H2* G 9 1H2' G 9 -4.670 -4.387 27.988 101 1H2* G 9 2H2' G 9 -5.651 -3.270 27.008 102 1H5* G 10 1H5' G 10 -2.431 -6.885 26.133 103 2H5* G 10 2H5' G 10 -2.529 -8.517 26.829 104 H4* G 10 H4' G 10 -0.281 -7.959 26.826 105 H3* G 10 H3' G 10 -1.484 -8.593 29.231 106 H1* G 10 H1' G 10 1.018 -5.733 28.976 107 H8 G 10 H8 G 10 -2.578 -4.252 29.260 108 H1 G 10 H1 G 10 2.216 0.026 29.054 109 1H2 G 10 1H2 G 10 4.228 -2.786 28.477 110 2H2 G 10 2H2 G 10 4.160 -1.046 28.630 111 H3T G 10 HO3 G 10 0.673 -8.825 30.003 112 2H2* G 10 1H2' G 10 -0.196 -6.717 30.738 113 1H2* G 10 2H2' G 10 -1.771 -6.352 29.982 114 1H5* C 1 1H5' C 1 8.748 6.368 29.384 115 2H5* C 1 2H5' C 1 7.083 5.995 28.896 116 H4* C 1 H4' C 1 9.166 4.005 29.916 117 H3* C 1 H3' C 1 9.131 4.975 27.375 118 H1* C 1 H1' C 1 7.203 1.847 28.098 119 1H4 C 1 1H4 C 1 0.671 3.508 28.359 120 2H4 C 1 2H4 C 1 0.755 1.765 28.450 121 H5 C 1 H5 C 1 2.681 4.944 28.327 122 H6 C 1 H6 C 1 5.094 4.931 28.227 123 H5T C 1 H5' C 1 6.839 5.105 31.047 124 2H2* C 1 1H2' C 1 7.459 3.184 26.223 125 1H2* C 1 2H2' C 1 6.830 4.634 27.012 126 1H5* C 2 1H5' C 2 8.837 0.367 28.220 127 2H5* C 2 2H5' C 2 10.263 -0.296 27.469 128 H4* C 2 H4' C 2 8.531 -2.043 27.547 129 H3* C 2 H3' C 2 9.775 -1.408 25.114 130 H1* C 2 H1' C 2 6.260 -2.301 25.655 131 1H4 C 2 1H4 C 2 2.411 3.251 25.075 132 2H4 C 2 2H4 C 2 1.324 1.891 25.277 133 H5 C 2 H5 C 2 4.892 2.974 25.071 134 H6 C 2 H6 C 2 6.658 1.378 25.136 135 2H2* C 2 1H2' C 2 7.440 -1.674 23.679 136 1H2* C 2 2H2' C 2 7.947 -0.122 24.351 137 1H5* A 3 1H5' A 3 5.856 -4.547 25.451 138 2H5* A 3 2H5' A 3 6.960 -5.944 25.034 139 H4* A 3 H4' A 3 4.798 -6.544 24.664 140 H3* A 3 H3' A 3 6.542 -6.291 22.607 141 H1* A 3 H1' A 3 3.057 -5.294 22.666 142 H8 A 3 H8 A 3 5.343 -2.151 21.969 143 1H6 A 3 1H6 A 3 0.307 1.345 22.775 144 2H6 A 3 2H6 A 3 2.042 1.330 22.538 145 H2 A 3 H2 A 3 -1.000 -2.931 22.897 146 2H2* A 3 1H2' A 3 4.545 -5.251 20.823 147 1H2* A 3 2H2' A 3 5.672 -4.292 21.725 148 1H5* C 4 1H5' C 4 2.773 -7.350 22.727 149 2H5* C 4 2H5' C 4 2.490 -9.009 22.262 150 H4* C 4 H4' C 4 0.272 -7.952 22.042 151 H3* C 4 H3' C 4 1.659 -8.933 19.649 152 H1* C 4 H1' C 4 -0.685 -6.149 20.127 153 1H4 C 4 1H4 C 4 2.461 -0.246 19.060 154 2H4 C 4 2H4 C 4 0.778 0.150 19.308 155 H5 C 4 H5 C 4 3.332 -2.549 19.131 156 H6 C 4 H6 C 4 2.731 -4.819 19.419 157 2H2* C 4 1H2' C 4 0.700 -7.040 18.313 158 1H2* C 4 2H2' C 4 2.087 -6.753 19.067 159 1H5* G 5 1H5' G 5 -2.644 -7.393 19.757 160 2H5* G 5 2H5' G 5 -3.571 -8.822 19.216 161 H4* G 5 H4' G 5 -4.960 -7.005 18.621 162 H3* G 5 H3' G 5 -3.825 -8.406 16.300 163 H1* G 5 H1' G 5 -4.543 -4.838 16.457 164 H8 G 5 H8 G 5 -0.625 -5.636 16.675 165 H1 G 5 H1 G 5 -1.984 0.657 16.604 166 1H2 G 5 1H2 G 5 -5.333 -0.395 16.732 167 2H2 G 5 2H2 G 5 -4.231 0.962 16.691 168 2H2* G 5 1H2' G 5 -3.649 -6.422 14.905 169 1H2* G 5 2H2' G 5 -2.365 -6.832 15.936 170 1H5* C 6 1H5' C 6 -6.827 -5.183 16.737 171 2H5* C 6 2H5' C 6 -8.296 -5.666 15.844 172 H4* C 6 H4' C 6 -8.102 -3.190 15.741 173 H3* C 6 H3' C 6 -7.872 -4.912 13.359 174 H1* C 6 H1' C 6 -6.576 -1.492 14.143 175 1H4 C 6 1H4 C 6 -0.045 -3.017 13.016 176 2H4 C 6 2H4 C 6 -0.152 -1.269 13.052 177 H5 C 6 H5 C 6 -2.020 -4.462 13.240 178 H6 C 6 H6 C 6 -4.400 -4.506 13.808 179 2H2* C 6 1H2' C 6 -7.104 -2.555 12.210 180 1H2* C 6 2H2' C 6 -6.060 -3.976 12.536 181 1H5* G 7 1H5' G 7 -8.698 -0.744 13.391 182 2H5* G 7 2H5' G 7 -10.268 -0.232 12.686 183 H4* G 7 H4' G 7 -8.725 1.532 12.193 184 H3* G 7 H3' G 7 -9.553 -0.058 9.855 185 H1* G 7 H1' G 7 -6.377 1.846 10.600 186 H8 G 7 H8 G 7 -6.047 -1.858 10.110 187 H1 G 7 H1 G 7 -0.372 1.141 10.284 188 1H2 G 7 1H2 G 7 -2.338 4.011 10.642 189 2H2 G 7 2H2 G 7 -0.728 3.356 10.445 190 2H2* G 7 1H2' G 7 -7.283 0.869 8.709 191 1H2* G 7 2H2' G 7 -7.464 -0.610 9.228 192 1H5* T 8 1H5' T 8 -7.210 3.803 10.227 193 2H5* T 8 2H5' T 8 -7.978 4.936 9.159 194 H4* T 8 H4' T 8 -5.600 5.573 9.237 195 H3* T 8 H3' T 8 -7.062 5.120 6.801 196 1H2* T 8 2H2' T 8 -5.865 3.277 6.416 197 2H2* T 8 1H2' T 8 -4.719 4.505 5.731 198 H1* T 8 H1' T 8 -3.469 4.563 7.709 199 H3 T 8 H3 T 8 -0.919 0.831 6.688 200 1H5M T 8 1H5M T 8 -5.132 -1.423 5.876 201 2H5M T 8 2H5M T 8 -4.669 -2.004 7.463 202 3H5M T 8 3H5M T 8 -6.060 -0.919 7.296 203 H6 T 8 H6 T 8 -5.565 1.545 7.654 204 1H5* G 9 1H5' G 9 -2.946 6.503 7.026 205 2H5* G 9 2H5' G 9 -2.996 8.170 6.592 206 H4* G 9 H4' G 9 -0.798 7.499 6.031 207 H3* G 9 H3' G 9 -2.398 8.160 3.777 208 H1* G 9 H1' G 9 0.164 5.497 4.023 209 H8 G 9 H8 G 9 -3.279 3.641 3.570 210 H1 G 9 H1 G 9 1.862 -0.122 4.479 211 1H2 G 9 1H2 G 9 3.584 2.942 4.767 212 2H2 G 9 2H2 G 9 3.719 1.200 4.752 213 2H2* G 9 1H2' G 9 -1.259 6.182 2.225 214 1H2* G 9 2H2' G 9 -2.723 5.880 3.189 215 1H5* G 10 1H5' G 10 1.993 6.930 4.128 216 2H5* G 10 2H5' G 10 2.897 8.258 3.373 217 H4* G 10 H4' G 10 4.356 6.468 3.493 218 H3* G 10 H3' G 10 3.808 7.587 1.020 219 H1* G 10 H1' G 10 4.139 3.815 1.456 220 H8 G 10 H8 G 10 0.368 4.718 1.040 221 H1 G 10 H1 G 10 1.752 -1.556 1.360 222 1H2 G 10 1H2 G 10 5.005 -0.453 2.030 223 2H2 G 10 2H2 G 10 3.935 -1.823 1.847 224 H3T G 10 HO3 G 10 5.622 5.475 1.640 225 2H2* G 10 1H2' G 10 3.791 5.250 -0.382 226 1H2* G 10 2H2' G 10 2.283 5.914 0.307 Start of MODEL 19 1 1H5* C 1 1H5' C 1 4.386 -10.114 0.881 2 2H5* C 1 2H5' C 1 3.134 -8.918 1.264 3 H4* C 1 H4' C 1 5.983 -8.305 0.343 4 H3* C 1 H3' C 1 5.391 -9.139 2.864 5 H1* C 1 H1' C 1 5.397 -5.466 2.180 6 1H4 C 1 1H4 C 1 -1.022 -3.428 1.845 7 2H4 C 1 2H4 C 1 -0.024 -1.994 1.785 8 H5 C 1 H5 C 1 -0.072 -5.714 1.850 9 H6 C 1 H6 C 1 1.987 -6.978 1.961 10 H5T C 1 H5' C 1 3.000 -9.685 -0.881 11 2H2* C 1 1H2' C 1 4.864 -6.762 4.030 12 1H2* C 1 2H2' C 1 3.594 -7.661 3.195 13 1H5* C 2 1H5' C 2 7.556 -5.027 2.122 14 2H5* C 2 2H5' C 2 9.097 -5.207 2.916 15 H4* C 2 H4' C 2 8.499 -2.813 2.852 16 H3* C 2 H3' C 2 9.219 -4.039 5.266 17 H1* C 2 H1' C 2 6.667 -1.457 4.756 18 1H4 C 2 1H4 C 2 0.508 -4.298 5.093 19 2H4 C 2 2H4 C 2 0.278 -2.568 4.934 20 H5 C 2 H5 C 2 2.784 -5.325 5.157 21 H6 C 2 H6 C 2 5.125 -4.844 5.160 22 2H2* C 2 1H2' C 2 7.344 -2.632 6.715 23 1H2* C 2 2H2' C 2 6.981 -4.214 6.014 24 1H5* A 3 1H5' A 3 7.484 0.587 5.124 25 2H5* A 3 2H5' A 3 9.003 1.363 5.724 26 H4* A 3 H4' A 3 7.160 2.687 6.165 27 H3* A 3 H3' A 3 8.676 1.622 8.154 28 H1* A 3 H1' A 3 5.166 2.066 8.008 29 H8 A 3 H8 A 3 5.610 -1.786 8.686 30 1H6 A 3 1H6 A 3 -0.532 -2.203 7.693 31 2H6 A 3 2H6 A 3 0.930 -3.129 8.005 32 H2 A 3 H2 A 3 0.583 2.088 7.531 33 2H2* A 3 1H2' A 3 6.448 1.224 9.832 34 1H2* A 3 2H2' A 3 7.055 -0.069 8.820 35 1H5* C 4 1H5' C 4 5.768 3.971 7.369 36 2H5* C 4 2H5' C 4 5.426 5.481 6.561 37 H4* C 4 H4' C 4 4.055 6.173 8.207 38 H3* C 4 H3' C 4 6.307 5.744 10.153 39 H1* C 4 H1' C 4 2.634 5.163 10.283 40 1H4 C 4 1H4 C 4 1.861 -1.477 11.339 41 2H4 C 4 2H4 C 4 0.251 -0.851 11.082 42 H5 C 4 H5 C 4 3.903 -0.074 11.190 43 H6 C 4 H6 C 4 4.662 2.088 10.950 44 2H2* C 4 1H2' C 4 4.497 5.203 11.791 45 1H2* C 4 2H2' C 4 5.337 4.033 11.063 46 1H5* G 5 1H5' G 5 2.239 7.467 10.512 47 2H5* G 5 2H5' G 5 2.445 9.154 11.065 48 H4* G 5 H4' G 5 0.228 8.543 11.675 49 H3* G 5 H3' G 5 2.001 9.059 13.961 50 H1* G 5 H1' G 5 -0.726 6.626 13.906 51 H8 G 5 H8 G 5 2.915 4.967 13.762 52 H1 G 5 H1 G 5 -1.843 0.628 13.823 53 1H2 G 5 1H2 G 5 -3.971 3.398 13.628 54 2H2 G 5 2H2 G 5 -3.841 1.655 13.676 55 2H2* G 5 1H2' G 5 0.929 7.440 15.428 56 1H2* G 5 2H2' G 5 2.210 6.971 14.421 57 1H5* C 6 1H5' C 6 -2.326 8.291 13.583 58 2H5* C 6 2H5' C 6 -3.218 9.590 14.427 59 H4* C 6 H4' C 6 -4.546 7.504 14.604 60 H3* C 6 H3' C 6 -3.312 8.778 16.962 61 H1* C 6 H1' C 6 -4.340 5.252 16.229 62 1H4 C 6 1H4 C 6 1.807 2.607 17.454 63 2H4 C 6 2H4 C 6 0.684 1.264 17.416 64 H5 C 6 H5 C 6 1.085 4.938 17.171 65 H6 C 6 H6 C 6 -0.801 6.383 16.567 66 2H2* C 6 1H2' C 6 -4.141 6.447 18.140 67 1H2* C 6 2H2' C 6 -2.452 6.952 17.829 68 1H5* G 7 1H5' G 7 -6.486 5.976 16.945 69 2H5* G 7 2H5' G 7 -8.053 6.504 17.643 70 H4* G 7 H4' G 7 -7.860 4.162 18.126 71 H3* G 7 H3' G 7 -7.606 5.923 20.475 72 H1* G 7 H1' G 7 -6.175 2.513 19.720 73 H8 G 7 H8 G 7 -3.714 5.290 20.265 74 H1 G 7 H1 G 7 -0.967 -0.512 20.170 75 1H2 G 7 1H2 G 7 -4.247 -1.625 19.700 76 2H2 G 7 2H2 G 7 -2.575 -2.069 19.958 77 2H2* G 7 1H2' G 7 -6.343 3.817 21.621 78 1H2* G 7 2H2' G 7 -5.606 5.120 21.124 79 1H5* T 8 1H5' T 8 -8.004 1.425 20.069 80 2H5* T 8 2H5' T 8 -9.304 0.955 21.120 81 H4* T 8 H4' T 8 -7.757 -0.963 21.039 82 H3* T 8 H3' T 8 -8.698 0.241 23.476 83 1H2* T 8 2H2' T 8 -6.650 1.018 23.896 84 2H2* T 8 1H2' T 8 -6.472 -0.657 24.566 85 H1* T 8 H1' T 8 -5.462 -1.422 22.595 86 H3 T 8 H3 T 8 -1.228 0.066 23.738 87 1H5M T 8 1H5M T 8 -2.546 4.575 22.932 88 2H5M T 8 2H5M T 8 -4.312 4.525 23.060 89 3H5M T 8 3H5M T 8 -3.299 4.380 24.503 90 H6 T 8 H6 T 8 -5.368 2.248 22.679 91 1H5* G 9 1H5' G 9 -6.169 -3.324 23.224 92 2H5* G 9 2H5' G 9 -7.229 -4.627 23.620 93 H4* G 9 H4' G 9 -5.088 -5.441 24.214 94 H3* G 9 H3' G 9 -6.818 -5.020 26.426 95 H1* G 9 H1' G 9 -3.157 -4.472 26.293 96 H8 G 9 H8 G 9 -4.773 -0.899 26.685 97 H1 G 9 H1 G 9 1.625 -1.011 25.999 98 1H2 G 9 1H2 G 9 1.173 -4.498 25.765 99 2H2 G 9 2H2 G 9 2.323 -3.181 25.782 100 2H2* G 9 1H2' G 9 -4.759 -4.159 28.044 101 1H2* G 9 2H2' G 9 -5.702 -3.016 27.056 102 1H5* G 10 1H5' G 10 -2.588 -6.729 26.204 103 2H5* G 10 2H5' G 10 -2.737 -8.354 26.905 104 H4* G 10 H4' G 10 -0.474 -7.861 26.907 105 H3* G 10 H3' G 10 -1.704 -8.456 29.311 106 H1* G 10 H1' G 10 0.882 -5.673 29.060 107 H8 G 10 H8 G 10 -2.670 -4.084 29.323 108 H1 G 10 H1 G 10 2.250 0.049 29.124 109 1H2 G 10 1H2 G 10 4.180 -2.823 28.563 110 2H2 G 10 2H2 G 10 4.162 -1.081 28.708 111 H3T G 10 HO3 G 10 0.369 -9.210 28.610 112 2H2* G 10 1H2' G 10 -0.366 -6.619 30.818 113 1H2* G 10 2H2' G 10 -1.928 -6.206 30.057 114 1H5* C 1 1H5' C 1 8.993 6.186 29.398 115 2H5* C 1 2H5' C 1 7.316 5.860 28.919 116 H4* C 1 H4' C 1 9.341 3.814 29.948 117 H3* C 1 H3' C 1 9.329 4.767 27.400 118 H1* C 1 H1' C 1 7.312 1.703 28.151 119 1H4 C 1 1H4 C 1 0.832 3.559 28.408 120 2H4 C 1 2H4 C 1 0.862 1.815 28.509 121 H5 C 1 H5 C 1 2.882 4.933 28.363 122 H6 C 1 H6 C 1 5.294 4.849 28.263 123 H5T C 1 H5' C 1 7.051 4.995 31.078 124 2H2* C 1 1H2' C 1 7.601 3.020 26.265 125 1H2* C 1 2H2' C 1 7.017 4.493 27.046 126 1H5* C 2 1H5' C 2 8.899 0.173 28.275 127 2H5* C 2 2H5' C 2 10.303 -0.534 27.526 128 H4* C 2 H4' C 2 8.521 -2.231 27.614 129 H3* C 2 H3' C 2 9.782 -1.647 25.179 130 H1* C 2 H1' C 2 6.243 -2.429 25.722 131 1H4 C 2 1H4 C 2 2.564 3.236 25.123 132 2H4 C 2 2H4 C 2 1.436 1.912 25.333 133 H5 C 2 H5 C 2 5.034 2.885 25.120 134 H6 C 2 H6 C 2 6.752 1.236 25.189 135 2H2* C 2 1H2' C 2 7.443 -1.844 23.745 136 1H2* C 2 2H2' C 2 7.996 -0.305 24.412 137 1H5* A 3 1H5' A 3 5.769 -4.664 25.527 138 2H5* A 3 2H5' A 3 6.830 -6.095 25.116 139 H4* A 3 H4' A 3 4.653 -6.635 24.751 140 H3* A 3 H3' A 3 6.398 -6.442 22.690 141 H1* A 3 H1' A 3 2.947 -5.335 22.747 142 H8 A 3 H8 A 3 5.330 -2.267 22.045 143 1H6 A 3 1H6 A 3 0.405 1.388 22.830 144 2H6 A 3 2H6 A 3 2.138 1.318 22.593 145 H2 A 3 H2 A 3 -1.034 -2.845 22.977 146 2H2* A 3 1H2' A 3 4.436 -5.341 20.905 147 1H2* A 3 2H2' A 3 5.593 -4.418 21.807 148 1H5* C 4 1H5' C 4 2.596 -7.383 22.806 149 2H5* C 4 2H5' C 4 2.257 -9.031 22.343 150 H4* C 4 H4' C 4 0.076 -7.899 22.124 151 H3* C 4 H3' C 4 1.418 -8.930 19.726 152 H1* C 4 H1' C 4 -0.821 -6.063 20.211 153 1H4 C 4 1H4 C 4 2.531 -0.277 19.130 154 2H4 C 4 2H4 C 4 0.863 0.178 19.378 155 H5 C 4 H5 C 4 3.321 -2.610 19.201 156 H6 C 4 H6 C 4 2.642 -4.857 19.499 157 2H2* C 4 1H2' C 4 0.530 -7.000 18.395 158 1H2* C 4 2H2' C 4 1.926 -6.766 19.147 159 1H5* G 5 1H5' G 5 -2.811 -7.278 19.921 160 2H5* G 5 2H5' G 5 -3.828 -8.640 19.371 161 H4* G 5 H4' G 5 -5.114 -6.712 18.916 162 H3* G 5 H3' G 5 -4.409 -8.191 16.567 163 H1* G 5 H1' G 5 -4.632 -4.627 16.686 164 H8 G 5 H8 G 5 -0.740 -5.540 16.760 165 H1 G 5 H1 G 5 -1.953 0.785 16.637 166 1H2 G 5 1H2 G 5 -5.329 -0.194 16.719 167 2H2 G 5 2H2 G 5 -4.197 1.138 16.671 168 2H2* G 5 1H2' G 5 -3.815 -6.273 15.129 169 1H2* G 5 2H2' G 5 -2.558 -6.741 16.174 170 1H5* C 6 1H5' C 6 -6.972 -4.654 16.990 171 2H5* C 6 2H5' C 6 -8.732 -4.536 16.968 172 H4* C 6 H4' C 6 -8.492 -2.832 15.600 173 H3* C 6 H3' C 6 -7.938 -5.045 13.650 174 H1* C 6 H1' C 6 -6.933 -1.420 13.955 175 1H4 C 6 1H4 C 6 -0.336 -2.775 13.179 176 2H4 C 6 2H4 C 6 -0.481 -1.034 13.112 177 H5 C 6 H5 C 6 -2.239 -4.254 13.537 178 H6 C 6 H6 C 6 -4.634 -4.345 14.035 179 2H2* C 6 1H2' C 6 -7.401 -2.712 12.224 180 1H2* C 6 2H2' C 6 -6.271 -4.013 12.659 181 1H5* G 7 1H5' G 7 -9.166 -1.089 13.159 182 2H5* G 7 2H5' G 7 -10.757 -0.784 12.373 183 H4* G 7 H4' G 7 -9.370 1.063 11.788 184 H3* G 7 H3' G 7 -9.832 -0.877 9.599 185 H1* G 7 H1' G 7 -6.792 1.382 10.403 186 H8 G 7 H8 G 7 -6.363 -2.322 10.007 187 H1 G 7 H1 G 7 -0.812 0.856 10.288 188 1H2 G 7 1H2 G 7 -2.861 3.651 10.736 189 2H2 G 7 2H2 G 7 -1.232 3.052 10.515 190 2H2* G 7 1H2' G 7 -7.609 0.387 8.476 191 1H2* G 7 2H2' G 7 -7.716 -1.124 8.982 192 1H5* T 8 1H5' T 8 -7.225 3.664 10.463 193 2H5* T 8 2H5' T 8 -8.001 4.670 9.213 194 H4* T 8 H4' T 8 -5.669 5.112 9.212 195 H3* T 8 H3' T 8 -7.285 4.578 6.834 196 1H2* T 8 2H2' T 8 -6.016 2.822 6.379 197 2H2* T 8 1H2' T 8 -4.942 4.111 5.728 198 H1* T 8 H1' T 8 -3.622 4.113 7.661 199 H3 T 8 H3 T 8 -1.064 0.432 6.657 200 1H5M T 8 1H5M T 8 -5.154 -1.877 5.834 201 2H5M T 8 2H5M T 8 -4.754 -2.451 7.437 202 3H5M T 8 3H5M T 8 -6.168 -1.401 7.207 203 H6 T 8 H6 T 8 -5.724 1.119 7.664 204 1H5* G 9 1H5' G 9 -3.293 6.149 7.206 205 2H5* G 9 2H5' G 9 -3.416 7.815 6.786 206 H4* G 9 H4' G 9 -1.148 7.292 6.379 207 H3* G 9 H3' G 9 -2.645 7.922 4.050 208 H1* G 9 H1' G 9 0.071 5.432 4.374 209 H8 G 9 H8 G 9 -3.228 3.358 3.770 210 H1 G 9 H1 G 9 2.153 -0.087 4.555 211 1H2 G 9 1H2 G 9 3.666 3.067 5.005 212 2H2 G 9 2H2 G 9 3.909 1.336 4.949 213 2H2* G 9 1H2' G 9 -1.303 6.068 2.517 214 1H2* G 9 2H2' G 9 -2.789 5.637 3.398 215 1H5* G 10 1H5' G 10 1.796 6.977 4.605 216 2H5* G 10 2H5' G 10 2.621 8.423 3.985 217 H4* G 10 H4' G 10 4.225 6.744 4.091 218 H3* G 10 H3' G 10 3.736 7.994 1.675 219 H1* G 10 H1' G 10 4.310 4.234 1.863 220 H8 G 10 H8 G 10 0.499 4.917 1.359 221 H1 G 10 H1 G 10 2.281 -1.260 1.340 222 1H2 G 10 1H2 G 10 5.470 0.023 2.047 223 2H2 G 10 2H2 G 10 4.499 -1.405 1.780 224 H3T G 10 HO3 G 10 5.813 7.430 2.544 225 2H2* G 10 1H2' G 10 3.952 5.768 0.113 226 1H2* G 10 2H2' G 10 2.366 6.275 0.757 Start of MODEL 20 1 1H5* C 1 1H5' C 1 3.664 -10.177 0.986 2 2H5* C 1 2H5' C 1 2.483 -8.930 1.426 3 H4* C 1 H4' C 1 5.297 -8.437 0.340 4 H3* C 1 H3' C 1 4.816 -9.226 2.899 5 H1* C 1 H1' C 1 4.927 -5.561 2.176 6 1H4 C 1 1H4 C 1 -1.421 -3.279 2.140 7 2H4 C 1 2H4 C 1 -0.371 -1.885 2.021 8 H5 C 1 H5 C 1 -0.558 -5.601 2.129 9 H6 C 1 H6 C 1 1.456 -6.941 2.154 10 H5T C 1 H5' C 1 2.201 -9.712 -0.700 11 2H2* C 1 1H2' C 1 4.450 -6.818 4.067 12 1H2* C 1 2H2' C 1 3.100 -7.672 3.313 13 1H5* C 2 1H5' C 2 7.100 -5.214 1.987 14 2H5* C 2 2H5' C 2 8.676 -5.455 2.689 15 H4* C 2 H4' C 2 8.189 -3.037 2.637 16 H3* C 2 H3' C 2 8.980 -4.265 5.028 17 H1* C 2 H1' C 2 6.510 -1.592 4.616 18 1H4 C 2 1H4 C 2 0.256 -4.096 5.372 19 2H4 C 2 2H4 C 2 0.106 -2.358 5.200 20 H5 C 2 H5 C 2 2.478 -5.244 5.285 21 H6 C 2 H6 C 2 4.833 -4.888 5.150 22 2H2* C 2 1H2' C 2 7.229 -2.793 6.549 23 1H2* C 2 2H2' C 2 6.770 -4.358 5.872 24 1H5* A 3 1H5' A 3 7.394 0.521 4.786 25 2H5* A 3 2H5' A 3 9.100 1.079 5.139 26 H4* A 3 H4' A 3 7.647 2.768 5.573 27 H3* A 3 H3' A 3 9.034 1.587 7.574 28 H1* A 3 H1' A 3 5.569 2.655 7.662 29 H8 A 3 H8 A 3 5.793 -1.237 8.290 30 1H6 A 3 1H6 A 3 -0.370 -1.385 7.774 31 2H6 A 3 2H6 A 3 1.092 -2.332 7.956 32 H2 A 3 H2 A 3 0.881 2.899 7.587 33 2H2* A 3 1H2' A 3 6.863 1.777 9.441 34 1H2* A 3 2H2' A 3 7.245 0.373 8.503 35 1H5* C 4 1H5' C 4 6.449 4.534 7.593 36 2H5* C 4 2H5' C 4 7.129 6.074 8.056 37 H4* C 4 H4' C 4 4.704 6.390 8.386 38 H3* C 4 H3' C 4 6.502 6.438 10.700 39 H1* C 4 H1' C 4 3.008 5.377 10.377 40 1H4 C 4 1H4 C 4 2.410 -1.304 11.310 41 2H4 C 4 2H4 C 4 0.782 -0.693 11.130 42 H5 C 4 H5 C 4 4.414 0.143 11.184 43 H6 C 4 H6 C 4 5.153 2.374 10.915 44 2H2* C 4 1H2' C 4 4.741 5.334 12.100 45 1H2* C 4 2H2' C 4 5.707 4.339 11.279 46 1H5* G 5 1H5' G 5 2.075 7.526 10.674 47 2H5* G 5 2H5' G 5 2.017 9.213 11.270 48 H4* G 5 H4' G 5 -0.116 8.319 11.746 49 H3* G 5 H3' G 5 1.412 9.071 14.070 50 H1* G 5 H1' G 5 -0.737 6.199 13.897 51 H8 G 5 H8 G 5 2.990 4.815 13.850 52 H1 G 5 H1 G 5 -1.586 0.268 13.890 53 1H2 G 5 1H2 G 5 -3.798 2.984 13.715 54 2H2 G 5 2H2 G 5 -3.623 1.247 13.798 55 2H2* G 5 1H2' G 5 0.845 7.123 15.474 56 1H2* G 5 2H2' G 5 2.168 6.823 14.439 57 1H5* C 6 1H5' C 6 -2.622 7.562 13.459 58 2H5* C 6 2H5' C 6 -4.167 8.416 13.301 59 H4* C 6 H4' C 6 -4.973 6.928 14.775 60 H3* C 6 H3' C 6 -3.269 8.458 16.767 61 H1* C 6 H1' C 6 -4.488 4.894 16.344 62 1H4 C 6 1H4 C 6 1.681 2.294 17.413 63 2H4 C 6 2H4 C 6 0.566 0.946 17.423 64 H5 C 6 H5 C 6 0.953 4.606 17.096 65 H6 C 6 H6 C 6 -0.943 6.032 16.550 66 2H2* C 6 1H2' C 6 -4.256 6.209 18.112 67 1H2* C 6 2H2' C 6 -2.568 6.656 17.800 68 1H5* G 7 1H5' G 7 -6.519 5.917 17.054 69 2H5* G 7 2H5' G 7 -8.054 6.530 17.760 70 H4* G 7 H4' G 7 -7.966 4.169 18.229 71 H3* G 7 H3' G 7 -7.679 5.909 20.570 72 H1* G 7 H1' G 7 -6.278 2.471 19.854 73 H8 G 7 H8 G 7 -3.786 5.236 20.336 74 H1 G 7 H1 G 7 -1.064 -0.585 20.190 75 1H2 G 7 1H2 G 7 -4.346 -1.697 19.774 76 2H2 G 7 2H2 G 7 -2.667 -2.139 19.991 77 2H2* G 7 1H2' G 7 -6.423 3.815 21.734 78 1H2* G 7 2H2' G 7 -5.673 5.097 21.204 79 1H5* T 8 1H5' T 8 -8.127 1.394 20.200 80 2H5* T 8 2H5' T 8 -9.415 0.946 21.276 81 H4* T 8 H4' T 8 -7.882 -0.985 21.191 82 H3* T 8 H3' T 8 -8.779 0.238 23.637 83 1H2* T 8 2H2' T 8 -6.722 1.016 24.012 84 2H2* T 8 1H2' T 8 -6.535 -0.653 24.693 85 H1* T 8 H1' T 8 -5.562 -1.439 22.712 86 H3 T 8 H3 T 8 -1.307 0.041 23.781 87 1H5M T 8 1H5M T 8 -3.336 4.356 24.576 88 2H5M T 8 2H5M T 8 -2.625 4.553 22.988 89 3H5M T 8 3H5M T 8 -4.388 4.511 23.161 90 H6 T 8 H6 T 8 -5.455 2.231 22.768 91 1H5* G 9 1H5' G 9 -6.263 -3.333 23.369 92 2H5* G 9 2H5' G 9 -7.315 -4.633 23.796 93 H4* G 9 H4' G 9 -5.161 -5.437 24.359 94 H3* G 9 H3' G 9 -6.851 -5.002 26.599 95 H1* G 9 H1' G 9 -3.195 -4.447 26.393 96 H8 G 9 H8 G 9 -4.811 -0.876 26.796 97 H1 G 9 H1 G 9 1.574 -0.982 26.003 98 1H2 G 9 1H2 G 9 1.123 -4.471 25.790 99 2H2 G 9 2H2 G 9 2.272 -3.153 25.788 100 2H2* G 9 1H2' G 9 -4.766 -4.122 28.172 101 1H2* G 9 2H2' G 9 -5.730 -2.990 27.192 102 1H5* G 10 1H5' G 10 -2.620 -6.701 26.308 103 2H5* G 10 2H5' G 10 -2.747 -8.319 27.030 104 H4* G 10 H4' G 10 -0.486 -7.813 26.974 105 H3* G 10 H3' G 10 -1.658 -8.399 29.409 106 H1* G 10 H1' G 10 0.905 -5.598 29.080 107 H8 G 10 H8 G 10 -2.653 -4.033 29.410 108 H1 G 10 H1 G 10 2.238 0.130 29.119 109 1H2 G 10 1H2 G 10 4.180 -2.734 28.552 110 2H2 G 10 2H2 G 10 4.154 -0.992 28.694 111 H3T G 10 HO3 G 10 1.081 -7.812 28.869 112 2H2* G 10 1H2' G 10 -0.290 -6.548 30.872 113 1H2* G 10 2H2' G 10 -1.872 -6.149 30.149 114 1H5* C 1 1H5' C 1 8.895 6.351 29.192 115 2H5* C 1 2H5' C 1 7.207 6.009 28.773 116 H4* C 1 H4' C 1 9.258 4.000 29.827 117 H3* C 1 H3' C 1 9.225 4.892 27.259 118 H1* C 1 H1' C 1 7.232 1.834 28.084 119 1H4 C 1 1H4 C 1 0.742 3.646 28.357 120 2H4 C 1 2H4 C 1 0.789 1.904 28.497 121 H5 C 1 H5 C 1 2.783 5.035 28.262 122 H6 C 1 H6 C 1 5.194 4.967 28.146 123 H5T C 1 H5' C 1 8.397 5.602 31.316 124 2H2* C 1 1H2' C 1 7.503 3.114 26.172 125 1H2* C 1 2H2' C 1 6.914 4.599 26.926 126 1H5* C 2 1H5' C 2 8.825 0.313 28.239 127 2H5* C 2 2H5' C 2 10.226 -0.406 27.495 128 H4* C 2 H4' C 2 8.443 -2.103 27.629 129 H3* C 2 H3' C 2 9.700 -1.569 25.180 130 H1* C 2 H1' C 2 6.161 -2.347 25.746 131 1H4 C 2 1H4 C 2 2.466 3.295 25.063 132 2H4 C 2 2H4 C 2 1.345 1.970 25.306 133 H5 C 2 H5 C 2 4.939 2.948 25.039 134 H6 C 2 H6 C 2 6.661 1.306 25.134 135 2H2* C 2 1H2' C 2 7.359 -1.805 23.756 136 1H2* C 2 2H2' C 2 7.908 -0.250 24.387 137 1H5* A 3 1H5' A 3 5.682 -4.586 25.614 138 2H5* A 3 2H5' A 3 6.754 -6.022 25.242 139 H4* A 3 H4' A 3 4.583 -6.582 24.883 140 H3* A 3 H3' A 3 6.335 -6.422 22.824 141 H1* A 3 H1' A 3 2.868 -5.340 22.843 142 H8 A 3 H8 A 3 5.236 -2.274 22.079 143 1H6 A 3 1H6 A 3 0.301 1.367 22.841 144 2H6 A 3 2H6 A 3 2.035 1.298 22.607 145 H2 A 3 H2 A 3 -1.128 -2.870 23.001 146 2H2* A 3 1H2' A 3 4.368 -5.382 21.007 147 1H2* A 3 2H2' A 3 5.511 -4.427 21.889 148 1H5* C 4 1H5' C 4 2.541 -7.387 22.963 149 2H5* C 4 2H5' C 4 2.233 -9.052 22.539 150 H4* C 4 H4' C 4 0.033 -7.973 22.265 151 H3* C 4 H3' C 4 1.446 -9.032 19.923 152 H1* C 4 H1' C 4 -0.876 -6.209 20.292 153 1H4 C 4 1H4 C 4 2.375 -0.373 19.148 154 2H4 C 4 2H4 C 4 0.700 0.062 19.381 155 H5 C 4 H5 C 4 3.202 -2.687 19.266 156 H6 C 4 H6 C 4 2.562 -4.937 19.590 157 2H2* C 4 1H2' C 4 0.516 -7.174 18.523 158 1H2* C 4 2H2' C 4 1.901 -6.874 19.282 159 1H5* G 5 1H5' G 5 -2.822 -7.472 19.870 160 2H5* G 5 2H5' G 5 -3.750 -8.924 19.391 161 H4* G 5 H4' G 5 -5.138 -7.165 18.675 162 H3* G 5 H3' G 5 -3.914 -8.583 16.406 163 H1* G 5 H1' G 5 -4.676 -5.019 16.499 164 H8 G 5 H8 G 5 -0.760 -5.805 16.822 165 H1 G 5 H1 G 5 -2.120 0.479 16.696 166 1H2 G 5 1H2 G 5 -5.472 -0.563 16.836 167 2H2 G 5 2H2 G 5 -4.363 0.790 16.802 168 2H2* G 5 1H2' G 5 -3.734 -6.614 14.986 169 1H2* G 5 2H2' G 5 -2.475 -7.007 16.052 170 1H5* C 6 1H5' C 6 -6.960 -5.421 16.713 171 2H5* C 6 2H5' C 6 -8.404 -5.920 15.786 172 H4* C 6 H4' C 6 -8.230 -3.450 15.677 173 H3* C 6 H3' C 6 -7.893 -5.159 13.292 174 H1* C 6 H1' C 6 -6.674 -1.725 14.147 175 1H4 C 6 1H4 C 6 -0.101 -3.151 13.176 176 2H4 C 6 2H4 C 6 -0.224 -1.408 13.204 177 H5 C 6 H5 C 6 -2.060 -4.632 13.370 178 H6 C 6 H6 C 6 -4.455 -4.708 13.857 179 2H2* C 6 1H2' C 6 -7.132 -2.778 12.186 180 1H2* C 6 2H2' C 6 -6.078 -4.185 12.531 181 1H5* G 7 1H5' G 7 -8.788 -1.013 13.347 182 2H5* G 7 2H5' G 7 -10.341 -0.514 12.600 183 H4* G 7 H4' G 7 -8.804 1.275 12.173 184 H3* G 7 H3' G 7 -9.554 -0.305 9.803 185 H1* G 7 H1' G 7 -6.434 1.647 10.643 186 H8 G 7 H8 G 7 -6.004 -2.041 10.132 187 H1 G 7 H1 G 7 -0.402 1.089 10.409 188 1H2 G 7 1H2 G 7 -2.444 3.914 10.724 189 2H2 G 7 2H2 G 7 -0.815 3.300 10.558 190 2H2* G 7 1H2' G 7 -7.272 0.666 8.722 191 1H2* G 7 2H2' G 7 -7.436 -0.820 9.229 192 1H5* T 8 1H5' T 8 -7.289 3.587 10.258 193 2H5* T 8 2H5' T 8 -8.055 4.716 9.184 194 H4* T 8 H4' T 8 -5.688 5.390 9.315 195 H3* T 8 H3' T 8 -7.100 4.937 6.852 196 1H2* T 8 2H2' T 8 -5.868 3.116 6.466 197 2H2* T 8 1H2' T 8 -4.741 4.377 5.812 198 H1* T 8 H1' T 8 -3.518 4.432 7.809 199 H3 T 8 H3 T 8 -0.896 0.765 6.737 200 1H5M T 8 1H5M T 8 -6.000 -1.089 7.311 201 2H5M T 8 2H5M T 8 -5.034 -1.579 5.911 202 3H5M T 8 3H5M T 8 -4.592 -2.147 7.508 203 H6 T 8 H6 T 8 -5.555 1.380 7.698 204 1H5* G 9 1H5' G 9 -2.985 6.387 7.167 205 2H5* G 9 2H5' G 9 -3.090 8.062 6.764 206 H4* G 9 H4' G 9 -0.861 7.488 6.211 207 H3* G 9 H3' G 9 -2.471 8.131 3.964 208 H1* G 9 H1' G 9 0.191 5.565 4.166 209 H8 G 9 H8 G 9 -3.187 3.586 3.716 210 H1 G 9 H1 G 9 2.074 -0.025 4.537 211 1H2 G 9 1H2 G 9 3.728 3.079 4.759 212 2H2 G 9 2H2 G 9 3.900 1.339 4.762 213 2H2* G 9 1H2' G 9 -1.265 6.222 2.382 214 1H2* G 9 2H2' G 9 -2.714 5.846 3.347 215 1H5* G 10 1H5' G 10 1.966 7.069 4.274 216 2H5* G 10 2H5' G 10 2.799 8.475 3.575 217 H4* G 10 H4' G 10 4.357 6.760 3.618 218 H3* G 10 H3' G 10 3.749 7.939 1.192 219 H1* G 10 H1' G 10 4.226 4.168 1.484 220 H8 G 10 H8 G 10 0.420 4.947 1.145 221 H1 G 10 H1 G 10 2.005 -1.277 1.390 222 1H2 G 10 1H2 G 10 5.253 -0.065 1.946 223 2H2 G 10 2H2 G 10 4.227 -1.472 1.792 224 H3T G 10 HO3 G 10 5.645 5.872 1.713 225 2H2* G 10 1H2' G 10 3.806 5.652 -0.294 226 1H2* G 10 2H2' G 10 2.280 6.231 0.429
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