NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11282 | 1r7z | 6077 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 -0.719 -13.897 0.581 2 2H5* G 1 2H5* G 1 0.752 -13.878 -0.394 3 H4* G 1 H4* G 1 0.005 -16.033 1.595 4 H3* G 1 H3* G 1 1.972 -13.741 1.815 5 H2* G 1 H2* G 1 3.321 -15.141 3.202 6 2HO* G 1 2HO* G 1 1.157 -17.008 3.081 7 H1* G 1 H1* G 1 3.060 -17.339 1.596 8 H8 G 1 H8 G 1 3.254 -14.377 -0.708 9 H1 G 1 H1 G 1 8.947 -15.982 1.719 10 1H2 G 1 1H2 G 1 8.697 -17.445 3.355 11 2H2 G 1 2H2 G 1 7.125 -18.036 3.846 12 1H5* G 2 1H5* G 2 1.388 -15.109 5.914 13 2H5* G 2 2H5* G 2 1.546 -13.693 6.989 14 H4* G 2 H4* G 2 3.159 -15.634 7.394 15 H3* G 2 H3* G 2 4.270 -12.871 6.831 16 H2* G 2 H2* G 2 6.439 -13.751 7.319 17 2HO* G 2 2HO* G 2 6.639 -15.894 8.157 18 H1* G 2 H1* G 2 5.984 -16.134 5.955 19 H8 G 2 H8 G 2 4.514 -13.637 3.658 20 H1 G 2 H1 G 2 10.891 -13.209 3.782 21 1H2 G 2 1H2 G 2 11.704 -14.332 5.503 22 2H2 G 2 2H2 G 2 10.674 -15.202 6.619 23 1H5* A 3 1H5* A 3 6.079 -13.922 10.758 24 2H5* A 3 2H5* A 3 5.983 -12.410 11.701 25 H4* A 3 H4* A 3 8.279 -13.349 11.625 26 H3* A 3 H3* A 3 7.904 -10.724 10.162 27 H2* A 3 H2* A 3 10.304 -10.668 9.899 28 2HO* A 3 2HO* A 3 11.553 -12.382 10.844 29 H1* A 3 H1* A 3 10.418 -13.275 9.062 30 H8 A 3 H8 A 3 7.178 -11.998 7.670 31 1H6 A 3 1H6 A 3 10.476 -9.258 3.198 32 2H6 A 3 2H6 A 3 8.868 -9.706 3.728 33 H2 A 3 H2 A 3 13.293 -10.695 6.385 34 1H5* G 4 1H5* G 4 11.004 -9.981 12.923 35 2H5* G 4 2H5* G 4 10.824 -8.382 13.688 36 H4* G 4 H4* G 4 13.061 -8.693 12.687 37 H3* G 4 H3* G 4 11.319 -6.646 11.292 38 H2* G 4 H2* G 4 13.222 -6.090 9.938 39 2HO* G 4 2HO* G 4 14.868 -6.296 11.539 40 H1* G 4 H1* G 4 13.826 -8.705 9.415 41 H8 G 4 H8 G 4 10.107 -8.724 9.613 42 H1 G 4 H1 G 4 12.234 -5.968 4.259 43 1H2 G 4 1H2 G 4 14.400 -5.567 4.410 44 2H2 G 4 2H2 G 4 15.328 -5.997 5.829 45 1H5* G 5 1H5* G 5 14.964 -4.269 12.119 46 2H5* G 5 2H5* G 5 14.324 -2.725 12.740 47 H4* G 5 H4* G 5 15.910 -2.481 10.814 48 H3* G 5 H3* G 5 13.058 -1.556 10.379 49 H2* G 5 H2* G 5 13.752 -0.688 8.249 50 2HO* G 5 2HO* G 5 15.953 -0.691 7.673 51 H1* G 5 H1* G 5 15.154 -2.951 7.583 52 H8 G 5 H8 G 5 12.237 -4.297 9.491 53 H1 G 5 H1 G 5 10.574 -2.263 3.664 54 1H2 G 5 1H2 G 5 12.218 -1.089 2.757 55 2H2 G 5 2H2 G 5 13.723 -0.797 3.598 56 1H5* A 6 1H5* A 6 15.923 1.876 9.547 57 2H5* A 6 2H5* A 6 15.018 3.380 9.869 58 H4* A 6 H4* A 6 16.097 3.054 7.533 59 H3* A 6 H3* A 6 13.176 3.796 7.836 60 H2* A 6 H2* A 6 13.088 4.032 5.459 61 2HO* A 6 2HO* A 6 14.993 3.932 4.215 62 H1* A 6 H1* A 6 14.541 1.748 4.980 63 H8 A 6 H8 A 6 12.241 1.013 7.885 64 1H6 A 6 1H6 A 6 7.784 0.018 3.723 65 2H6 A 6 2H6 A 6 8.239 -0.127 5.403 66 H2 A 6 H2 A 6 11.300 1.840 1.607 67 1H5* C 7 1H5* C 7 14.864 6.499 5.032 68 2H5* C 7 2H5* C 7 14.037 8.077 5.123 69 H4* C 7 H4* C 7 13.918 6.887 2.883 70 H3* C 7 H3* C 7 11.318 7.509 4.294 71 H2* C 7 H2* C 7 10.207 6.836 2.264 72 2HO* C 7 2HO* C 7 11.755 7.699 0.762 73 H1* C 7 H1* C 7 11.731 4.569 2.025 74 1H4 C 7 1H4 C 7 6.577 3.003 5.481 75 2H4 C 7 2H4 C 7 7.474 3.320 6.948 76 H5 C 7 H5 C 7 9.734 4.286 6.947 77 H6 C 7 H6 C 7 11.504 5.115 5.534 78 1H5* A 8 1H5* A 8 10.696 9.715 0.478 79 2H5* A 8 2H5* A 8 9.635 11.075 0.939 80 H4* A 8 H4* A 8 8.757 9.347 -0.781 81 H3* A 8 H3* A 8 7.152 10.110 1.672 82 H2* A 8 H2* A 8 5.359 8.761 0.796 83 2HO* A 8 2HO* A 8 5.646 7.709 -1.236 84 H1* A 8 H1* A 8 6.950 6.644 0.320 85 H8 A 8 H8 A 8 8.820 7.569 3.257 86 1H6 A 8 1H6 A 8 3.983 6.257 6.872 87 2H6 A 8 2H6 A 8 5.702 6.566 6.829 88 H2 A 8 H2 A 8 2.543 6.530 2.643 89 1H5* U 9 1H5* U 9 4.785 10.173 -1.308 90 2H5* U 9 2H5* U 9 3.577 11.468 -1.517 91 H4* U 9 H4* U 9 2.819 8.976 -1.368 92 H3* U 9 H3* U 9 1.280 11.103 -1.090 93 H2* U 9 H2* U 9 2.224 11.591 1.033 94 2HO* U 9 2HO* U 9 -0.292 10.366 1.572 95 H1* U 9 H1* U 9 1.345 8.764 1.738 96 H3 U 9 H3 U 9 2.015 9.999 6.121 97 H5 U 9 H5 U 9 5.782 10.309 4.287 98 H6 U 9 H6 U 9 4.704 9.920 2.161 99 1H5* U 10 1H5* U 10 -2.536 11.695 -2.070 100 2H5* U 10 2H5* U 10 -1.086 12.345 -1.273 101 H4* U 10 H4* U 10 -3.773 11.986 0.093 102 H3* U 10 H3* U 10 -3.427 13.964 -1.755 103 H2* U 10 H2* U 10 -1.316 14.673 -0.820 104 2HO* U 10 2HO* U 10 -2.769 16.502 -0.986 105 H1* U 10 H1* U 10 -2.636 14.659 1.899 106 H3 U 10 H3 U 10 1.084 15.691 4.197 107 H5 U 10 H5 U 10 2.601 13.595 0.875 108 H6 U 10 H6 U 10 0.334 13.362 0.060 109 1H5* C 11 1H5* C 11 -7.447 15.900 1.912 110 2H5* C 11 2H5* C 11 -5.937 14.954 1.846 111 H4* C 11 H4* C 11 -8.534 13.601 1.214 112 H3* C 11 H3* C 11 -8.304 14.855 3.726 113 H2* C 11 H2* C 11 -6.531 13.496 4.481 114 2HO* C 11 2HO* C 11 -7.436 11.616 5.567 115 H1* C 11 H1* C 11 -7.731 11.163 2.983 116 1H4 C 11 1H4 C 11 -2.209 8.491 4.709 117 2H4 C 11 2H4 C 11 -1.305 9.860 4.102 118 H5 C 11 H5 C 11 -2.389 11.864 3.177 119 H6 C 11 H6 C 11 -4.511 12.896 2.674 120 1H5* C 12 1H5* C 12 -11.069 11.459 4.433 121 2H5* C 12 2H5* C 12 -12.221 11.254 3.094 122 H4* C 12 H4* C 12 -13.999 10.950 4.484 123 H3* C 12 H3* C 12 -13.466 13.285 5.744 124 H2* C 12 H2* C 12 -11.558 12.465 6.941 125 2HO* C 12 2HO* C 12 -13.023 13.363 8.480 126 H1* C 12 H1* C 12 -13.095 9.987 7.766 127 1H4 C 12 1H4 C 12 -7.264 7.916 9.262 128 2H4 C 12 2H4 C 12 -6.528 8.883 8.004 129 H5 C 12 H5 C 12 -7.827 10.342 6.512 130 H6 C 12 H6 C 12 -10.043 11.119 5.983 131 1H5* U 13 1H5* U 13 -18.135 10.526 4.538 132 2H5* U 13 2H5* U 13 -17.653 8.867 4.971 133 H4* U 13 H4* U 13 -16.781 10.509 2.605 134 H3* U 13 H3* U 13 -18.893 8.947 2.487 135 H2* U 13 H2* U 13 -17.890 7.172 3.809 136 2HO* U 13 2HO* U 13 -17.442 5.444 2.264 137 H1* U 13 H1* U 13 -15.515 7.089 1.954 138 H3 U 13 H3 U 13 -13.852 3.915 4.806 139 H5 U 13 H5 U 13 -14.786 7.194 7.297 140 H6 U 13 H6 U 13 -15.771 8.255 5.396 141 1H5* C 14 1H5* C 14 -15.022 8.844 -0.986 142 2H5* C 14 2H5* C 14 -14.660 8.447 0.713 143 H4* C 14 H4* C 14 -13.248 10.615 -0.881 144 H3* C 14 H3* C 14 -12.492 7.734 -0.380 145 H2* C 14 H2* C 14 -10.220 8.326 -0.046 146 2HO* C 14 2HO* C 14 -9.454 10.405 -0.613 147 H1* C 14 H1* C 14 -10.717 10.674 1.320 148 1H4 C 14 1H4 C 14 -9.588 6.114 5.682 149 2H4 C 14 2H4 C 14 -11.314 5.970 5.903 150 H5 C 14 H5 C 14 -12.930 7.128 4.491 151 H6 C 14 H6 C 14 -13.196 8.622 2.617 152 1H5* A 15 1H5* A 15 -9.413 8.354 -2.245 153 2H5* A 15 2H5* A 15 -9.222 7.374 -3.720 154 H4* A 15 H4* A 15 -7.318 6.990 -2.280 155 H3* A 15 H3* A 15 -9.278 4.695 -2.333 156 H2* A 15 H2* A 15 -7.905 3.440 -0.823 157 2HO* A 15 2HO* A 15 -5.813 4.168 -0.295 158 H1* A 15 H1* A 15 -7.406 5.539 0.860 159 H8 A 15 H8 A 15 -10.792 5.411 -0.846 160 1H6 A 15 1H6 A 15 -12.706 2.573 4.378 161 2H6 A 15 2H6 A 15 -13.251 3.233 2.849 162 H2 A 15 H2 A 15 -8.252 3.207 4.526 163 1H5* C 16 1H5* C 16 -5.691 2.782 -3.113 164 2H5* C 16 2H5* C 16 -5.851 1.544 -4.389 165 H4* C 16 H4* C 16 -5.024 0.627 -2.237 166 H3* C 16 H3* C 16 -7.771 -0.298 -3.111 167 H2* C 16 H2* C 16 -7.743 -1.831 -1.274 168 2HO* C 16 2HO* C 16 -5.827 -2.123 -0.051 169 H1* C 16 H1* C 16 -6.619 0.011 0.481 170 1H4 C 16 1H4 C 16 -12.862 0.269 1.656 171 2H4 C 16 2H4 C 16 -13.115 1.315 0.273 172 H5 C 16 H5 C 16 -11.315 1.900 -1.301 173 H6 C 16 H6 C 16 -8.970 1.585 -1.811 174 1H5* G 17 1H5* G 17 -4.988 -3.638 -2.628 175 2H5* G 17 2H5* G 17 -5.250 -4.877 -3.883 176 H4* G 17 H4* G 17 -5.099 -5.867 -1.634 177 H3* G 17 H3* G 17 -7.839 -5.999 -2.914 178 H2* G 17 H2* G 17 -8.571 -7.328 -1.046 179 2HO* G 17 2HO* G 17 -7.067 -8.020 0.520 180 H1* G 17 H1* G 17 -7.425 -5.673 0.812 181 H8 G 17 H8 G 17 -8.556 -3.450 -2.015 182 H1 G 17 H1 G 17 -13.346 -5.281 1.800 183 1H2 G 17 1H2 G 17 -12.672 -6.891 3.160 184 2H2 G 17 2H2 G 17 -11.035 -7.509 3.128 185 1H5* G 18 1H5* G 18 -7.056 -9.832 -1.669 186 2H5* G 18 2H5* G 18 -7.508 -11.051 -2.891 187 H4* G 18 H4* G 18 -8.561 -11.443 -0.670 188 H3* G 18 H3* G 18 -10.440 -10.722 -2.932 189 H2* G 18 H2* G 18 -12.265 -11.158 -1.453 190 2HO* G 18 2HO* G 18 -11.349 -13.084 -0.496 191 H1* G 18 H1* G 18 -10.994 -9.986 0.753 192 H8 G 18 H8 G 18 -10.491 -7.834 -2.328 193 H1 G 18 H1 G 18 -16.191 -6.993 0.469 194 1H2 G 18 1H2 G 18 -16.527 -8.550 2.004 195 2H2 G 18 2H2 G 18 -15.347 -9.797 2.339 196 1H5* G 19 1H5* G 19 -13.030 -14.204 -5.120 197 2H5* G 19 2H5* G 19 -13.041 -12.419 -5.096 198 H4* G 19 H4* G 19 -14.647 -14.259 -3.295 199 H3* G 19 H3* G 19 -15.460 -12.459 -5.589 200 H2* G 19 H2* G 19 -17.576 -12.157 -4.502 201 2HO* G 19 2HO* G 19 -17.894 -13.311 -2.450 202 H1* G 19 H1* G 19 -16.442 -11.712 -2.047 203 H8 G 19 H8 G 19 -14.661 -10.504 -5.283 204 H1 G 19 H1 G 19 -18.211 -6.099 -2.301 205 1H2 G 19 1H2 G 19 -19.260 -7.001 -0.586 206 2H2 G 19 2H2 G 19 -19.090 -8.692 -0.170 207 1H5* U 20 1H5* U 20 -17.123 -12.348 -8.329 208 2H5* U 20 2H5* U 20 -17.425 -12.853 -6.649 209 H4* U 20 H4* U 20 -19.079 -13.527 -9.098 210 H3* U 20 H3* U 20 -19.685 -11.969 -6.571 211 H2* U 20 H2* U 20 -21.966 -12.623 -6.805 212 2HO* U 20 2HO* U 20 -22.097 -12.194 -9.101 213 H1* U 20 H1* U 20 -21.319 -15.182 -7.831 214 H3 U 20 H3 U 20 -22.967 -16.892 -4.058 215 H5 U 20 H5 U 20 -20.411 -13.878 -2.630 216 H6 U 20 H6 U 20 -19.884 -13.316 -4.934 217 1H5* G 21 1H5* G 21 -21.329 -8.458 -6.026 218 2H5* G 21 2H5* G 21 -20.454 -9.849 -5.328 219 H4* G 21 H4* G 21 -23.456 -9.481 -5.160 220 H3* G 21 H3* G 21 -21.315 -8.706 -3.174 221 H2* G 21 H2* G 21 -22.836 -9.280 -1.416 222 2HO* G 21 2HO* G 21 -24.796 -8.534 -2.300 223 H1* G 21 H1* G 21 -23.576 -11.633 -2.545 224 H8 G 21 H8 G 21 -19.912 -10.646 -3.194 225 H1 G 21 H1 G 21 -20.841 -14.117 2.092 226 1H2 G 21 1H2 G 21 -23.001 -14.394 2.459 227 2H2 G 21 2H2 G 21 -24.222 -13.717 1.406 228 1H5* A 22 1H5* A 22 -24.748 -5.924 -2.213 229 2H5* A 22 2H5* A 22 -24.210 -4.721 -1.011 230 H4* A 22 H4* A 22 -25.915 -6.521 -0.272 231 H3* A 22 H3* A 22 -23.351 -6.094 1.273 232 H2* A 22 H2* A 22 -24.249 -7.596 2.929 233 2HO* A 22 2HO* A 22 -26.484 -6.879 2.711 234 H1* A 22 H1* A 22 -25.009 -9.422 1.023 235 H8 A 22 H8 A 22 -21.846 -7.950 -0.321 236 1H6 A 22 1H6 A 22 -18.723 -11.631 3.528 237 2H6 A 22 2H6 A 22 -18.600 -10.548 2.160 238 H2 A 22 H2 A 22 -23.041 -11.754 4.671 239 1H5* C 23 1H5* C 23 -24.493 -5.691 3.898 240 2H5* C 23 2H5* C 23 -23.860 -4.591 5.144 241 H4* C 23 H4* C 23 -22.925 -6.946 5.159 242 H3* C 23 H3* C 23 -21.007 -4.640 4.763 243 H2* C 23 H2* C 23 -19.222 -6.230 4.958 244 2HO* C 23 2HO* C 23 -19.661 -8.383 5.557 245 H1* C 23 H1* C 23 -20.471 -8.089 3.330 246 1H4 C 23 1H4 C 23 -16.653 -4.659 -0.472 247 2H4 C 23 2H4 C 23 -17.938 -3.499 -0.729 248 H5 C 23 H5 C 23 -20.079 -3.596 0.473 249 H6 C 23 H6 C 23 -21.370 -4.828 2.111 250 1H5* C 24 1H5* C 24 -19.696 -6.900 8.197 251 2H5* C 24 2H5* C 24 -18.836 -5.847 9.353 252 H4* C 24 H4* C 24 -17.501 -7.805 8.493 253 H3* C 24 H3* C 24 -16.457 -5.036 7.850 254 H2* C 24 H2* C 24 -14.474 -6.121 7.039 255 2HO* C 24 2HO* C 24 -14.207 -8.377 7.324 256 H1* C 24 H1* C 24 -15.910 -8.097 5.718 257 1H4 C 24 1H4 C 24 -14.731 -3.612 1.332 258 2H4 C 24 2H4 C 24 -16.078 -2.658 1.908 259 H5 C 24 H5 C 24 -17.396 -3.269 3.886 260 H6 C 24 H6 C 24 -17.655 -4.902 5.646 261 1H5* G 25 1H5* G 25 -13.432 -7.135 9.862 262 2H5* G 25 2H5* G 25 -12.453 -6.099 10.934 263 H4* G 25 H4* G 25 -11.107 -7.360 9.254 264 H3* G 25 H3* G 25 -11.119 -4.342 8.998 265 H2* G 25 H2* G 25 -9.468 -4.562 7.274 266 2HO* G 25 2HO* G 25 -8.590 -6.634 6.799 267 H1* G 25 H1* G 25 -10.789 -6.609 6.007 268 H8 G 25 H8 G 25 -13.587 -4.436 7.211 269 H1 G 25 H1 G 25 -10.418 -1.799 2.290 270 1H2 G 25 1H2 G 25 -8.524 -2.911 1.920 271 2H2 G 25 2H2 G 25 -8.052 -4.292 2.884 272 1H5* U 26 1H5* U 26 -7.204 -5.053 8.757 273 2H5* U 26 2H5* U 26 -6.246 -3.892 9.713 274 H4* U 26 H4* U 26 -5.779 -3.948 7.212 275 H3* U 26 H3* U 26 -6.659 -1.359 8.505 276 H2* U 26 H2* U 26 -6.349 -0.263 6.415 277 2HO* U 26 2HO* U 26 -5.225 -1.264 4.722 278 H1* U 26 H1* U 26 -7.326 -2.403 4.893 279 H3 U 26 H3 U 26 -9.987 1.371 4.543 280 H5 U 26 H5 U 26 -11.558 -0.920 7.702 281 H6 U 26 H6 U 26 -9.573 -2.304 7.596 282 1H5* G 27 1H5* G 27 -2.937 -1.263 6.292 283 2H5* G 27 2H5* G 27 -1.756 -0.050 6.845 284 H4* G 27 H4* G 27 -2.826 -0.198 4.324 285 H3* G 27 H3* G 27 -0.939 1.456 5.442 286 H2* G 27 H2* G 27 -2.532 2.893 6.471 287 2HO* G 27 2HO* G 27 -1.164 4.161 5.073 288 H1* G 27 H1* G 27 -4.131 2.866 3.895 289 H8 G 27 H8 G 27 -4.886 2.212 7.623 290 H1 G 27 H1 G 27 -8.192 6.985 4.956 291 1H2 G 27 1H2 G 27 -7.527 7.322 2.875 292 2H2 G 27 2H2 G 27 -6.263 6.356 2.143 293 1H5* G 28 1H5* G 28 -1.898 2.661 0.655 294 2H5* G 28 2H5* G 28 -2.130 1.159 -0.275 295 H4* G 28 H4* G 28 -0.934 2.440 -1.766 296 H3* G 28 H3* G 28 1.018 0.836 -0.138 297 H2* G 28 H2* G 28 2.883 1.940 -1.089 298 2HO* G 28 2HO* G 28 2.596 3.396 -2.848 299 H1* G 28 H1* G 28 1.923 4.434 -0.901 300 H8 G 28 H8 G 28 0.368 2.806 2.098 301 H1 G 28 H1 G 28 6.600 3.980 2.897 302 1H2 G 28 1H2 G 28 7.538 4.518 0.972 303 2H2 G 28 2H2 G 28 6.627 4.590 -0.521 304 1H5* U 29 1H5* U 29 2.399 0.471 -4.124 305 2H5* U 29 2H5* U 29 2.926 -1.195 -4.492 306 H4* U 29 H4* U 29 4.688 0.498 -4.925 307 H3* U 29 H3* U 29 5.244 -1.422 -2.652 308 H2* U 29 H2* U 29 7.416 -0.487 -2.516 309 2HO* U 29 2HO* U 29 8.216 0.873 -4.152 310 H1* U 29 H1* U 29 6.557 2.115 -3.043 311 H3 U 29 H3 U 29 8.343 1.799 1.246 312 H5 U 29 H5 U 29 4.327 0.551 1.568 313 H6 U 29 H6 U 29 4.192 0.588 -0.837 314 1H5* C 30 1H5* C 30 8.591 -1.425 -5.359 315 2H5* C 30 2H5* C 30 9.494 -2.958 -5.236 316 H4* C 30 H4* C 30 10.646 -0.691 -4.567 317 H3* C 30 H3* C 30 10.780 -3.207 -2.898 318 H2* C 30 H2* C 30 12.192 -2.063 -1.353 319 2HO* C 30 2HO* C 30 13.061 -0.018 -1.862 320 H1* C 30 H1* C 30 10.771 0.313 -1.445 321 1H4 C 30 1H4 C 30 8.725 -3.077 3.626 322 2H4 C 30 2H4 C 30 7.298 -3.481 2.704 323 H5 C 30 H5 C 30 7.032 -2.922 0.339 324 H6 C 30 H6 C 30 8.099 -1.897 -1.563 325 1H5* C 31 1H5* C 31 14.659 -1.902 -3.027 326 2H5* C 31 2H5* C 31 15.810 -3.222 -3.363 327 H4* C 31 H4* C 31 16.358 -2.026 -1.274 328 H3* C 31 H3* C 31 15.410 -4.880 -0.960 329 H2* C 31 H2* C 31 15.827 -4.726 1.388 330 2HO* C 31 2HO* C 31 17.029 -2.194 0.797 331 H1* C 31 H1* C 31 14.750 -2.204 1.642 332 1H4 C 31 1H4 C 31 10.035 -6.299 2.992 333 2H4 C 31 2H4 C 31 9.534 -6.266 1.317 334 H5 C 31 H5 C 31 10.810 -5.105 -0.432 335 H6 C 31 H6 C 31 12.781 -3.789 -0.862 336 1H5* U 32 1H5* U 32 18.303 -5.181 1.645 337 2H5* U 32 2H5* U 32 19.551 -6.249 0.958 338 H4* U 32 H4* U 32 19.177 -7.096 3.112 339 H3* U 32 H3* U 32 17.476 -8.672 1.178 340 H2* U 32 H2* U 32 16.815 -10.062 2.988 341 2HO* U 32 2HO* U 32 17.791 -9.849 5.032 342 H1* U 32 H1* U 32 16.335 -8.027 4.692 343 H3 U 32 H3 U 32 12.293 -9.538 3.442 344 H5 U 32 H5 U 32 13.470 -7.043 0.277 345 H6 U 32 H6 U 32 15.672 -6.877 1.321 346 1H5* C 33 1H5* C 33 19.615 -11.356 3.743 347 2H5* C 33 2H5* C 33 20.045 -12.854 2.879 348 H4* C 33 H4* C 33 18.752 -13.260 4.970 349 H3* C 33 H3* C 33 17.331 -13.993 2.397 350 H2* C 33 H2* C 33 15.643 -14.989 3.755 351 2HO* C 33 2HO* C 33 15.932 -15.144 6.026 352 H1* C 33 H1* C 33 15.584 -12.896 5.551 353 1H4 C 33 1H4 C 33 10.968 -11.691 1.317 354 2H4 C 33 2H4 C 33 12.127 -10.974 0.219 355 H5 C 33 H5 C 33 14.553 -10.974 0.650 356 H6 C 33 H6 C 33 16.266 -11.677 2.202 357 1H5* C 34 1H5* C 34 17.196 -17.308 5.167 358 2H5* C 34 2H5* C 34 17.308 -18.821 4.239 359 H4* C 34 H4* C 34 15.312 -18.651 5.770 360 H3* C 34 H3* C 34 14.804 -18.951 2.799 361 H2* C 34 H2* C 34 12.482 -19.194 3.302 362 2HO* C 34 2HO* C 34 11.803 -19.395 5.496 363 H1* C 34 H1* C 34 12.494 -17.195 5.252 364 1H4 C 34 1H4 C 34 10.397 -14.447 -0.117 365 2H4 C 34 2H4 C 34 12.046 -14.126 -0.611 366 H5 C 34 H5 C 34 14.000 -14.956 0.632 367 H6 C 34 H6 C 34 14.701 -16.230 2.562 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -2.107 -11.432 0.942 2 2H5* G 1 2H5* G 1 -0.692 -11.604 -0.097 3 H4* G 1 H4* G 1 -1.727 -13.717 1.807 4 H3* G 1 H3* G 1 0.608 -11.804 2.051 5 H2* G 1 H2* G 1 1.754 -13.489 3.298 6 2HO* G 1 2HO* G 1 0.701 -15.359 3.980 7 H1* G 1 H1* G 1 1.085 -15.504 1.582 8 H8 G 1 H8 G 1 1.638 -12.471 -0.561 9 H1 G 1 H1 G 1 7.112 -15.057 1.495 10 1H2 G 1 1H2 G 1 6.707 -16.552 3.073 11 2H2 G 1 2H2 G 1 5.084 -16.921 3.612 12 1H5* G 2 1H5* G 2 0.005 -13.242 6.125 13 2H5* G 2 2H5* G 2 0.442 -11.910 7.229 14 H4* G 2 H4* G 2 1.749 -14.099 7.472 15 H3* G 2 H3* G 2 3.243 -11.514 6.958 16 H2* G 2 H2* G 2 5.272 -12.734 7.295 17 2HO* G 2 2HO* G 2 5.198 -14.897 8.060 18 H1* G 2 H1* G 2 4.389 -14.957 5.866 19 H8 G 2 H8 G 2 3.218 -12.219 3.700 20 H1 G 2 H1 G 2 9.598 -12.622 3.626 21 1H2 G 2 1H2 G 2 10.308 -13.902 5.282 22 2H2 G 2 2H2 G 2 9.207 -14.671 6.405 23 1H5* A 3 1H5* A 3 5.062 -13.030 10.779 24 2H5* A 3 2H5* A 3 5.112 -11.565 11.797 25 H4* A 3 H4* A 3 7.300 -12.690 11.729 26 H3* A 3 H3* A 3 7.220 -10.049 10.247 27 H2* A 3 H2* A 3 9.612 -10.244 10.006 28 2HO* A 3 2HO* A 3 10.677 -12.061 10.968 29 H1* A 3 H1* A 3 9.461 -12.841 9.161 30 H8 A 3 H8 A 3 6.356 -11.231 7.801 31 1H6 A 3 1H6 A 3 9.872 -8.849 3.302 32 2H6 A 3 2H6 A 3 8.234 -9.124 3.853 33 H2 A 3 H2 A 3 12.562 -10.584 6.449 34 1H5* G 4 1H5* G 4 10.362 -9.633 12.993 35 2H5* G 4 2H5* G 4 10.369 -8.019 13.748 36 H4* G 4 H4* G 4 12.549 -8.592 12.731 37 H3* G 4 H3* G 4 11.044 -6.360 11.342 38 H2* G 4 H2* G 4 12.999 -6.026 9.986 39 2HO* G 4 2HO* G 4 14.608 -6.421 11.593 40 H1* G 4 H1* G 4 13.298 -8.697 9.469 41 H8 G 4 H8 G 4 9.598 -8.244 9.665 42 H1 G 4 H1 G 4 12.064 -5.863 4.273 43 1H2 G 4 1H2 G 4 14.265 -5.748 4.421 44 2H2 G 4 2H2 G 4 15.130 -6.275 5.848 45 1H5* G 5 1H5* G 5 14.907 -4.414 12.145 46 2H5* G 5 2H5* G 5 14.467 -2.786 12.726 47 H4* G 5 H4* G 5 16.048 -2.808 10.773 48 H3* G 5 H3* G 5 13.338 -1.515 10.365 49 H2* G 5 H2* G 5 14.097 -0.799 8.203 50 2HO* G 5 2HO* G 5 16.288 -1.194 7.590 51 H1* G 5 H1* G 5 15.194 -3.239 7.574 52 H8 G 5 H8 G 5 12.158 -4.216 9.495 53 H1 G 5 H1 G 5 10.673 -1.894 3.724 54 1H2 G 5 1H2 G 5 12.435 -0.913 2.811 55 2H2 G 5 2H2 G 5 13.977 -0.825 3.631 56 1H5* A 6 1H5* A 6 16.528 1.399 9.227 57 2H5* A 6 2H5* A 6 15.892 3.032 9.565 58 H4* A 6 H4* A 6 16.692 2.476 7.157 59 H3* A 6 H3* A 6 13.960 3.676 7.681 60 H2* A 6 H2* A 6 13.701 3.869 5.309 61 2HO* A 6 2HO* A 6 15.453 3.405 3.921 62 H1* A 6 H1* A 6 14.713 1.367 4.804 63 H8 A 6 H8 A 6 12.631 1.036 7.924 64 1H6 A 6 1H6 A 6 7.668 0.793 4.254 65 2H6 A 6 2H6 A 6 8.263 0.568 5.882 66 H2 A 6 H2 A 6 11.193 2.028 1.768 67 1H5* C 7 1H5* C 7 15.726 5.862 4.595 68 2H5* C 7 2H5* C 7 15.288 7.586 4.698 69 H4* C 7 H4* C 7 14.658 6.410 2.538 70 H3* C 7 H3* C 7 12.461 7.647 4.198 71 H2* C 7 H2* C 7 10.958 7.189 2.382 72 2HO* C 7 2HO* C 7 12.383 7.730 0.644 73 H1* C 7 H1* C 7 12.019 4.654 1.943 74 1H4 C 7 1H4 C 7 6.932 3.930 5.749 75 2H4 C 7 2H4 C 7 7.975 4.043 7.148 76 H5 C 7 H5 C 7 10.367 4.600 6.991 77 H6 C 7 H6 C 7 12.155 5.146 5.458 78 1H5* A 8 1H5* A 8 10.794 11.572 0.896 79 2H5* A 8 2H5* A 8 9.931 10.882 2.297 80 H4* A 8 H4* A 8 9.710 10.200 -0.622 81 H3* A 8 H3* A 8 7.787 10.826 1.611 82 H2* A 8 H2* A 8 6.124 9.376 0.689 83 2HO* A 8 2HO* A 8 7.935 9.049 -1.510 84 H1* A 8 H1* A 8 7.750 7.299 0.301 85 H8 A 8 H8 A 8 9.643 8.441 3.153 86 1H6 A 8 1H6 A 8 4.954 6.959 6.909 87 2H6 A 8 2H6 A 8 6.650 7.377 6.828 88 H2 A 8 H2 A 8 3.429 7.000 2.699 89 1H5* U 9 1H5* U 9 5.473 10.667 -0.939 90 2H5* U 9 2H5* U 9 4.709 12.126 -1.623 91 H4* U 9 H4* U 9 3.035 10.432 -1.285 92 H3* U 9 H3* U 9 2.897 12.895 0.311 93 H2* U 9 H2* U 9 1.782 12.018 2.113 94 2HO* U 9 2HO* U 9 0.091 10.445 1.830 95 H1* U 9 H1* U 9 1.975 9.228 1.664 96 H3 U 9 H3 U 9 2.649 10.337 6.130 97 H5 U 9 H5 U 9 6.340 10.870 4.168 98 H6 U 9 H6 U 9 5.206 10.549 2.083 99 1H5* U 10 1H5* U 10 -1.859 12.923 0.451 100 2H5* U 10 2H5* U 10 -1.848 14.167 -0.822 101 H4* U 10 H4* U 10 -2.889 14.592 1.628 102 H3* U 10 H3* U 10 -2.523 16.316 -0.396 103 H2* U 10 H2* U 10 -0.135 16.451 -0.085 104 2HO* U 10 2HO* U 10 0.270 18.540 0.825 105 H1* U 10 H1* U 10 -0.525 16.972 2.872 106 H3 U 10 H3 U 10 4.145 17.260 1.704 107 H5 U 10 H5 U 10 3.111 13.365 2.956 108 H6 U 10 H6 U 10 0.807 13.988 2.751 109 1H5* C 11 1H5* C 11 -6.611 17.710 2.657 110 2H5* C 11 2H5* C 11 -5.328 16.550 3.099 111 H4* C 11 H4* C 11 -7.891 15.905 1.606 112 H3* C 11 H3* C 11 -7.688 16.156 4.373 113 H2* C 11 H2* C 11 -6.062 14.441 4.606 114 2HO* C 11 2HO* C 11 -8.048 13.817 5.747 115 H1* C 11 H1* C 11 -7.566 12.851 2.528 116 1H4 C 11 1H4 C 11 -2.515 9.013 2.988 117 2H4 C 11 2H4 C 11 -1.425 10.370 3.157 118 H5 C 11 H5 C 11 -2.205 12.702 3.203 119 H6 C 11 H6 C 11 -4.138 14.131 3.093 120 1H5* C 12 1H5* C 12 -10.298 12.705 4.720 121 2H5* C 12 2H5* C 12 -11.460 12.465 3.393 122 H4* C 12 H4* C 12 -13.041 11.733 4.807 123 H3* C 12 H3* C 12 -13.197 14.290 5.724 124 H2* C 12 H2* C 12 -11.292 14.103 7.174 125 2HO* C 12 2HO* C 12 -13.073 14.833 8.437 126 H1* C 12 H1* C 12 -12.347 11.459 8.213 127 1H4 C 12 1H4 C 12 -6.532 11.471 10.844 128 2H4 C 12 2H4 C 12 -5.786 11.696 9.279 129 H5 C 12 H5 C 12 -7.082 12.020 7.214 130 H6 C 12 H6 C 12 -9.314 12.171 6.307 131 1H5* U 13 1H5* U 13 -17.136 10.538 4.506 132 2H5* U 13 2H5* U 13 -16.386 9.035 5.092 133 H4* U 13 H4* U 13 -15.411 10.841 2.882 134 H3* U 13 H3* U 13 -17.172 8.941 2.372 135 H2* U 13 H2* U 13 -16.128 7.388 3.941 136 2HO* U 13 2HO* U 13 -15.243 6.651 1.339 137 H1* U 13 H1* U 13 -13.538 7.772 2.442 138 H3 U 13 H3 U 13 -12.013 4.579 5.415 139 H5 U 13 H5 U 13 -13.266 7.848 7.776 140 H6 U 13 H6 U 13 -14.163 8.843 5.809 141 1H5* C 14 1H5* C 14 -13.341 10.354 1.575 142 2H5* C 14 2H5* C 14 -13.216 12.042 1.025 143 H4* C 14 H4* C 14 -11.618 11.365 -0.717 144 H3* C 14 H3* C 14 -12.041 8.575 0.377 145 H2* C 14 H2* C 14 -9.738 8.073 0.016 146 2HO* C 14 2HO* C 14 -8.405 9.507 -1.156 147 H1* C 14 H1* C 14 -8.790 10.467 0.930 148 1H4 C 14 1H4 C 14 -8.756 6.362 5.842 149 2H4 C 14 2H4 C 14 -10.222 7.111 6.421 150 H5 C 14 H5 C 14 -11.442 8.806 5.141 151 H6 C 14 H6 C 14 -11.487 10.059 3.079 152 1H5* A 15 1H5* A 15 -9.307 7.903 -2.869 153 2H5* A 15 2H5* A 15 -9.945 6.473 -3.712 154 H4* A 15 H4* A 15 -7.527 6.430 -2.669 155 H3* A 15 H3* A 15 -9.561 4.215 -2.449 156 H2* A 15 H2* A 15 -8.073 2.910 -1.092 157 2HO* A 15 2HO* A 15 -5.909 3.641 -0.762 158 H1* A 15 H1* A 15 -7.331 4.963 0.523 159 H8 A 15 H8 A 15 -10.853 5.065 -0.898 160 1H6 A 15 1H6 A 15 -12.534 2.299 4.433 161 2H6 A 15 2H6 A 15 -13.145 3.008 2.952 162 H2 A 15 H2 A 15 -8.061 2.651 4.276 163 1H5* C 16 1H5* C 16 -6.061 2.220 -3.645 164 2H5* C 16 2H5* C 16 -6.401 0.925 -4.826 165 H4* C 16 H4* C 16 -5.276 0.110 -2.760 166 H3* C 16 H3* C 16 -8.103 -0.866 -3.238 167 H2* C 16 H2* C 16 -7.841 -2.309 -1.345 168 2HO* C 16 2HO* C 16 -5.784 -2.519 -0.344 169 H1* C 16 H1* C 16 -6.538 -0.384 0.178 170 1H4 C 16 1H4 C 16 -12.639 -0.075 1.979 171 2H4 C 16 2H4 C 16 -13.014 0.956 0.615 172 H5 C 16 H5 C 16 -11.380 1.498 -1.133 173 H6 C 16 H6 C 16 -9.107 1.150 -1.874 174 1H5* G 17 1H5* G 17 -5.288 -4.108 -2.750 175 2H5* G 17 2H5* G 17 -5.614 -5.431 -3.899 176 H4* G 17 H4* G 17 -5.263 -6.212 -1.563 177 H3* G 17 H3* G 17 -8.011 -6.644 -2.753 178 H2* G 17 H2* G 17 -8.621 -7.855 -0.767 179 2HO* G 17 2HO* G 17 -7.044 -8.313 0.818 180 H1* G 17 H1* G 17 -7.556 -5.986 0.928 181 H8 G 17 H8 G 17 -8.836 -3.928 -1.914 182 H1 G 17 H1 G 17 -13.555 -6.142 1.792 183 1H2 G 17 1H2 G 17 -12.788 -7.692 3.168 184 2H2 G 17 2H2 G 17 -11.107 -8.179 3.178 185 1H5* G 18 1H5* G 18 -7.029 -10.301 -1.255 186 2H5* G 18 2H5* G 18 -7.378 -11.623 -2.398 187 H4* G 18 H4* G 18 -8.451 -11.921 -0.167 188 H3* G 18 H3* G 18 -10.318 -11.512 -2.515 189 H2* G 18 H2* G 18 -12.140 -11.964 -1.043 190 2HO* G 18 2HO* G 18 -11.742 -12.788 1.065 191 H1* G 18 H1* G 18 -10.987 -10.565 1.106 192 H8 G 18 H8 G 18 -10.591 -8.507 -2.030 193 H1 G 18 H1 G 18 -16.465 -8.143 0.498 194 1H2 G 18 1H2 G 18 -16.717 -9.681 2.067 195 2H2 G 18 2H2 G 18 -15.440 -10.797 2.493 196 1H5* G 19 1H5* G 19 -12.393 -15.305 -4.751 197 2H5* G 19 2H5* G 19 -12.453 -13.524 -4.873 198 H4* G 19 H4* G 19 -14.177 -15.242 -3.062 199 H3* G 19 H3* G 19 -14.831 -13.746 -5.612 200 H2* G 19 H2* G 19 -17.048 -13.450 -4.761 201 2HO* G 19 2HO* G 19 -17.628 -14.514 -2.763 202 H1* G 19 H1* G 19 -16.172 -12.896 -2.184 203 H8 G 19 H8 G 19 -14.512 -11.530 -5.428 204 H1 G 19 H1 G 19 -18.408 -7.478 -2.374 205 1H2 G 19 1H2 G 19 -19.333 -8.477 -0.642 206 2H2 G 19 2H2 G 19 -18.989 -10.141 -0.229 207 1H5* U 20 1H5* U 20 -16.914 -14.532 -8.862 208 2H5* U 20 2H5* U 20 -17.486 -13.065 -8.047 209 H4* U 20 H4* U 20 -19.159 -14.686 -9.341 210 H3* U 20 H3* U 20 -19.694 -13.374 -6.671 211 H2* U 20 H2* U 20 -21.836 -14.389 -6.628 212 2HO* U 20 2HO* U 20 -22.287 -13.852 -8.897 213 H1* U 20 H1* U 20 -20.990 -16.766 -7.902 214 H3 U 20 H3 U 20 -21.547 -19.000 -4.082 215 H5 U 20 H5 U 20 -19.669 -15.467 -2.789 216 H6 U 20 H6 U 20 -19.614 -14.718 -5.087 217 1H5* G 21 1H5* G 21 -20.294 -9.944 -5.157 218 2H5* G 21 2H5* G 21 -20.145 -11.714 -5.325 219 H4* G 21 H4* G 21 -22.917 -10.792 -5.369 220 H3* G 21 H3* G 21 -21.207 -10.095 -2.993 221 H2* G 21 H2* G 21 -22.851 -10.922 -1.485 222 2HO* G 21 2HO* G 21 -24.732 -10.165 -2.575 223 H1* G 21 H1* G 21 -23.331 -13.212 -2.787 224 H8 G 21 H8 G 21 -19.703 -12.223 -3.399 225 H1 G 21 H1 G 21 -20.645 -15.346 2.096 226 1H2 G 21 1H2 G 21 -22.810 -15.577 2.484 227 2H2 G 21 2H2 G 21 -24.024 -14.954 1.394 228 1H5* A 22 1H5* A 22 -24.909 -7.919 -2.345 229 2H5* A 22 2H5* A 22 -24.748 -6.569 -1.190 230 H4* A 22 H4* A 22 -26.159 -8.514 -0.400 231 H3* A 22 H3* A 22 -23.682 -7.823 1.190 232 H2* A 22 H2* A 22 -24.445 -9.402 2.841 233 2HO* A 22 2HO* A 22 -26.743 -8.923 2.561 234 H1* A 22 H1* A 22 -24.956 -11.313 0.942 235 H8 A 22 H8 A 22 -21.976 -9.494 -0.391 236 1H6 A 22 1H6 A 22 -18.481 -12.758 3.515 237 2H6 A 22 2H6 A 22 -18.471 -11.680 2.137 238 H2 A 22 H2 A 22 -22.766 -13.367 4.625 239 1H5* C 23 1H5* C 23 -24.878 -7.435 3.809 240 2H5* C 23 2H5* C 23 -24.351 -6.221 4.999 241 H4* C 23 H4* C 23 -23.184 -8.466 5.112 242 H3* C 23 H3* C 23 -21.501 -6.010 4.575 243 H2* C 23 H2* C 23 -19.575 -7.413 4.840 244 2HO* C 23 2HO* C 23 -21.432 -9.457 5.605 245 H1* C 23 H1* C 23 -20.649 -9.457 3.317 246 1H4 C 23 1H4 C 23 -17.172 -5.872 -0.663 247 2H4 C 23 2H4 C 23 -18.560 -4.849 -0.969 248 H5 C 23 H5 C 23 -20.684 -5.088 0.246 249 H6 C 23 H6 C 23 -21.853 -6.356 1.948 250 1H5* C 24 1H5* C 24 -19.989 -8.001 8.021 251 2H5* C 24 2H5* C 24 -19.251 -6.863 9.181 252 H4* C 24 H4* C 24 -17.722 -8.696 8.400 253 H3* C 24 H3* C 24 -16.929 -5.866 7.667 254 H2* C 24 H2* C 24 -14.844 -6.784 6.912 255 2HO* C 24 2HO* C 24 -15.770 -9.259 8.019 256 H1* C 24 H1* C 24 -16.069 -8.951 5.672 257 1H4 C 24 1H4 C 24 -15.216 -4.590 1.093 258 2H4 C 24 2H4 C 24 -16.656 -3.738 1.600 259 H5 C 24 H5 C 24 -17.950 -4.378 3.583 260 H6 C 24 H6 C 24 -18.094 -5.940 5.418 261 1H5* G 25 1H5* G 25 -13.788 -7.728 9.709 262 2H5* G 25 2H5* G 25 -12.817 -6.618 10.706 263 H4* G 25 H4* G 25 -11.524 -7.936 8.985 264 H3* G 25 H3* G 25 -11.504 -4.916 8.796 265 H2* G 25 H2* G 25 -9.887 -5.124 7.037 266 2HO* G 25 2HO* G 25 -9.056 -7.192 6.492 267 H1* G 25 H1* G 25 -11.276 -7.090 5.738 268 H8 G 25 H8 G 25 -14.040 -4.996 7.080 269 H1 G 25 H1 G 25 -10.930 -2.052 2.317 270 1H2 G 25 1H2 G 25 -9.033 -3.101 1.887 271 2H2 G 25 2H2 G 25 -8.536 -4.531 2.764 272 1H5* U 26 1H5* U 26 -7.610 -5.806 8.490 273 2H5* U 26 2H5* U 26 -6.568 -4.679 9.398 274 H4* U 26 H4* U 26 -6.211 -4.830 6.866 275 H3* U 26 H3* U 26 -6.777 -2.167 8.181 276 H2* U 26 H2* U 26 -6.441 -1.112 6.068 277 2HO* U 26 2HO* U 26 -5.490 -3.665 5.175 278 H1* U 26 H1* U 26 -7.738 -3.114 4.618 279 H3 U 26 H3 U 26 -9.883 1.052 4.655 280 H5 U 26 H5 U 26 -11.757 -1.393 7.527 281 H6 U 26 H6 U 26 -9.934 -2.968 7.278 282 1H5* G 27 1H5* G 27 -3.156 -2.508 5.822 283 2H5* G 27 2H5* G 27 -1.874 -1.326 6.186 284 H4* G 27 H4* G 27 -3.294 -1.588 3.791 285 H3* G 27 H3* G 27 -1.038 -0.208 4.476 286 H2* G 27 H2* G 27 -2.222 1.550 5.592 287 2HO* G 27 2HO* G 27 -0.899 2.551 4.030 288 H1* G 27 H1* G 27 -4.152 1.611 3.258 289 H8 G 27 H8 G 27 -4.512 1.334 7.094 290 H1 G 27 H1 G 27 -7.222 6.489 4.461 291 1H2 G 27 1H2 G 27 -6.766 6.573 2.304 292 2H2 G 27 2H2 G 27 -5.798 5.350 1.512 293 1H5* G 28 1H5* G 28 -1.988 3.153 0.281 294 2H5* G 28 2H5* G 28 -1.753 1.496 -0.331 295 H4* G 28 H4* G 28 -0.547 3.078 -1.721 296 H3* G 28 H3* G 28 1.212 1.351 0.017 297 H2* G 28 H2* G 28 3.140 2.376 -0.917 298 2HO* G 28 2HO* G 28 2.988 3.759 -2.692 299 H1* G 28 H1* G 28 2.215 4.901 -0.709 300 H8 G 28 H8 G 28 0.752 3.118 2.273 301 H1 G 28 H1 G 28 6.923 4.610 3.019 302 1H2 G 28 1H2 G 28 7.795 5.263 1.100 303 2H2 G 28 2H2 G 28 6.855 5.338 -0.374 304 1H5* U 29 1H5* U 29 2.676 1.200 -4.001 305 2H5* U 29 2H5* U 29 3.203 -0.447 -4.440 306 H4* U 29 H4* U 29 4.948 1.258 -4.868 307 H3* U 29 H3* U 29 5.560 -0.709 -2.650 308 H2* U 29 H2* U 29 7.731 0.237 -2.530 309 2HO* U 29 2HO* U 29 8.487 1.651 -4.150 310 H1* U 29 H1* U 29 6.843 2.848 -2.986 311 H3 U 29 H3 U 29 8.667 2.526 1.281 312 H5 U 29 H5 U 29 4.720 1.083 1.615 313 H6 U 29 H6 U 29 4.554 1.175 -0.786 314 1H5* C 30 1H5* C 30 8.896 -0.688 -5.295 315 2H5* C 30 2H5* C 30 9.741 -2.257 -5.242 316 H4* C 30 H4* C 30 10.987 -0.096 -4.457 317 H3* C 30 H3* C 30 10.935 -2.660 -2.858 318 H2* C 30 H2* C 30 12.381 -1.644 -1.253 319 2HO* C 30 2HO* C 30 13.374 0.362 -1.690 320 H1* C 30 H1* C 30 11.096 0.813 -1.308 321 1H4 C 30 1H4 C 30 8.758 -2.587 3.627 322 2H4 C 30 2H4 C 30 7.331 -2.890 2.667 323 H5 C 30 H5 C 30 7.148 -2.256 0.311 324 H6 C 30 H6 C 30 8.308 -1.241 -1.542 325 1H5* C 31 1H5* C 31 14.869 -1.664 -2.758 326 2H5* C 31 2H5* C 31 15.898 -3.027 -3.275 327 H4* C 31 H4* C 31 16.645 -2.206 -1.111 328 H3* C 31 H3* C 31 15.201 -4.861 -0.956 329 H2* C 31 H2* C 31 15.764 -4.954 1.370 330 2HO* C 31 2HO* C 31 17.102 -3.258 2.258 331 H1* C 31 H1* C 31 15.087 -2.332 1.834 332 1H4 C 31 1H4 C 31 9.813 -5.728 3.032 333 2H4 C 31 2H4 C 31 9.308 -5.533 1.369 334 H5 C 31 H5 C 31 10.726 -4.485 -0.338 335 H6 C 31 H6 C 31 12.871 -3.450 -0.733 336 1H5* U 32 1H5* U 32 18.140 -5.836 1.449 337 2H5* U 32 2H5* U 32 19.143 -7.052 0.620 338 H4* U 32 H4* U 32 18.767 -7.950 2.754 339 H3* U 32 H3* U 32 16.703 -9.114 0.879 340 H2* U 32 H2* U 32 15.973 -10.496 2.671 341 2HO* U 32 2HO* U 32 17.119 -10.536 4.642 342 H1* U 32 H1* U 32 15.959 -8.509 4.500 343 H3 U 32 H3 U 32 11.663 -9.435 3.489 344 H5 U 32 H5 U 32 12.892 -6.782 0.481 345 H6 U 32 H6 U 32 15.182 -6.997 1.322 346 1H5* C 33 1H5* C 33 18.538 -12.257 3.137 347 2H5* C 33 2H5* C 33 18.600 -13.766 2.192 348 H4* C 33 H4* C 33 17.408 -13.978 4.386 349 H3* C 33 H3* C 33 15.730 -14.411 1.902 350 H2* C 33 H2* C 33 13.982 -15.135 3.358 351 2HO* C 33 2HO* C 33 15.910 -14.914 5.459 352 H1* C 33 H1* C 33 14.376 -13.086 5.159 353 1H4 C 33 1H4 C 33 9.811 -11.084 1.173 354 2H4 C 33 2H4 C 33 11.019 -10.521 0.039 355 H5 C 33 H5 C 33 13.432 -10.904 0.356 356 H6 C 33 H6 C 33 15.082 -11.906 1.809 357 1H5* C 34 1H5* C 34 15.157 -17.693 4.638 358 2H5* C 34 2H5* C 34 14.973 -19.186 3.690 359 H4* C 34 H4* C 34 13.105 -18.704 5.316 360 H3* C 34 H3* C 34 12.429 -18.891 2.371 361 H2* C 34 H2* C 34 10.122 -18.739 2.966 362 2HO* C 34 2HO* C 34 11.037 -19.070 5.664 363 H1* C 34 H1* C 34 10.545 -16.793 4.922 364 1H4 C 34 1H4 C 34 8.722 -13.696 -0.359 365 2H4 C 34 2H4 C 34 10.387 -13.610 -0.893 366 H5 C 34 H5 C 34 12.231 -14.739 0.286 367 H6 C 34 H6 C 34 12.785 -16.134 2.180 Start of MODEL 3 1 1H5* G 1 1H5* G 1 -2.607 -12.153 4.615 2 2H5* G 1 2H5* G 1 -1.466 -12.471 3.309 3 H4* G 1 H4* G 1 -1.860 -14.221 5.747 4 H3* G 1 H3* G 1 0.316 -12.228 5.071 5 H2* G 1 H2* G 1 1.838 -13.606 6.287 6 2HO* G 1 2HO* G 1 1.126 -15.296 7.570 7 H1* G 1 H1* G 1 0.919 -15.940 5.189 8 H8 G 1 H8 G 1 0.801 -13.372 2.453 9 H1 G 1 H1 G 1 6.735 -15.440 3.630 10 1H2 G 1 1H2 G 1 6.779 -16.610 5.507 11 2H2 G 1 2H2 G 1 5.341 -16.889 6.464 12 1H5* G 2 1H5* G 2 0.764 -13.099 9.233 13 2H5* G 2 2H5* G 2 1.332 -11.640 10.090 14 H4* G 2 H4* G 2 2.799 -13.733 10.253 15 H3* G 2 H3* G 2 3.987 -11.161 9.181 16 H2* G 2 H2* G 2 6.110 -12.257 9.194 17 2HO* G 2 2HO* G 2 6.415 -14.210 10.269 18 H1* G 2 H1* G 2 5.069 -14.687 8.283 19 H8 G 2 H8 G 2 3.402 -12.308 6.029 20 H1 G 2 H1 G 2 9.671 -12.632 4.781 21 1H2 G 2 1H2 G 2 10.730 -13.651 6.433 22 2H2 G 2 2H2 G 2 9.893 -14.256 7.845 23 1H5* A 3 1H5* A 3 6.526 -12.316 12.622 24 2H5* A 3 2H5* A 3 6.697 -10.818 13.578 25 H4* A 3 H4* A 3 8.882 -11.818 13.256 26 H3* A 3 H3* A 3 8.478 -9.394 11.486 27 H2* A 3 H2* A 3 10.817 -9.572 10.914 28 2HO* A 3 2HO* A 3 12.090 -11.196 11.929 29 H1* A 3 H1* A 3 10.629 -12.260 10.422 30 H8 A 3 H8 A 3 7.308 -10.787 9.403 31 1H6 A 3 1H6 A 3 10.038 -9.100 4.108 32 2H6 A 3 2H6 A 3 8.511 -9.255 4.949 33 H2 A 3 H2 A 3 13.197 -10.502 6.970 34 1H5* G 4 1H5* G 4 11.943 -8.507 13.626 35 2H5* G 4 2H5* G 4 11.978 -6.808 14.163 36 H4* G 4 H4* G 4 14.002 -7.417 12.895 37 H3* G 4 H3* G 4 12.167 -5.495 11.441 38 H2* G 4 H2* G 4 13.914 -5.268 9.802 39 2HO* G 4 2HO* G 4 15.721 -5.369 11.264 40 H1* G 4 H1* G 4 14.303 -7.978 9.635 41 H8 G 4 H8 G 4 10.634 -7.599 10.250 42 H1 G 4 H1 G 4 12.315 -6.033 4.285 43 1H2 G 4 1H2 G 4 14.513 -5.859 4.137 44 2H2 G 4 2H2 G 4 15.564 -6.140 5.505 45 1H5* G 5 1H5* G 5 15.959 -3.050 11.616 46 2H5* G 5 2H5* G 5 15.338 -1.460 12.133 47 H4* G 5 H4* G 5 16.778 -1.385 10.080 48 H3* G 5 H3* G 5 13.883 -0.552 9.741 49 H2* G 5 H2* G 5 14.459 0.145 7.513 50 2HO* G 5 2HO* G 5 16.646 0.073 6.833 51 H1* G 5 H1* G 5 15.874 -2.154 6.987 52 H8 G 5 H8 G 5 13.061 -3.400 9.088 53 H1 G 5 H1 G 5 11.116 -1.712 3.231 54 1H2 G 5 1H2 G 5 12.710 -0.582 2.189 55 2H2 G 5 2H2 G 5 14.247 -0.233 2.947 56 1H5* A 6 1H5* A 6 16.533 2.877 8.395 57 2H5* A 6 2H5* A 6 15.576 4.359 8.660 58 H4* A 6 H4* A 6 16.482 3.840 6.271 59 H3* A 6 H3* A 6 13.574 4.534 6.754 60 H2* A 6 H2* A 6 13.295 4.556 4.382 61 2HO* A 6 2HO* A 6 15.120 4.416 3.005 62 H1* A 6 H1* A 6 14.882 2.319 3.981 63 H8 A 6 H8 A 6 12.777 1.443 6.934 64 1H6 A 6 1H6 A 6 8.110 0.385 3.025 65 2H6 A 6 2H6 A 6 8.684 0.190 4.663 66 H2 A 6 H2 A 6 11.386 2.500 0.785 67 1H5* C 7 1H5* C 7 15.042 7.016 3.596 68 2H5* C 7 2H5* C 7 14.216 8.595 3.638 69 H4* C 7 H4* C 7 13.983 7.265 1.484 70 H3* C 7 H3* C 7 11.471 8.010 2.989 71 H2* C 7 H2* C 7 10.228 7.200 1.093 72 2HO* C 7 2HO* C 7 11.622 7.958 -0.580 73 H1* C 7 H1* C 7 11.774 4.933 0.865 74 1H4 C 7 1H4 C 7 6.812 3.426 4.613 75 2H4 C 7 2H4 C 7 7.782 3.795 6.022 76 H5 C 7 H5 C 7 10.025 4.788 5.877 77 H6 C 7 H6 C 7 11.712 5.596 4.350 78 1H5* A 8 1H5* A 8 9.890 11.070 -1.187 79 2H5* A 8 2H5* A 8 8.876 11.399 0.243 80 H4* A 8 H4* A 8 8.195 9.965 -2.125 81 H3* A 8 H3* A 8 6.754 10.462 0.487 82 H2* A 8 H2* A 8 5.042 8.923 -0.216 83 2HO* A 8 2HO* A 8 6.515 8.766 -2.668 84 H1* A 8 H1* A 8 6.778 6.995 -0.921 85 H8 A 8 H8 A 8 8.890 8.246 1.733 86 1H6 A 8 1H6 A 8 4.870 6.172 5.952 87 2H6 A 8 2H6 A 8 6.493 6.766 5.688 88 H2 A 8 H2 A 8 2.849 6.182 1.957 89 1H5* U 9 1H5* U 9 4.095 10.302 -1.980 90 2H5* U 9 2H5* U 9 2.961 11.642 -2.301 91 H4* U 9 H4* U 9 1.834 9.461 -2.000 92 H3* U 9 H3* U 9 1.153 11.825 -0.444 93 H2* U 9 H2* U 9 0.733 10.764 1.588 94 2HO* U 9 2HO* U 9 -0.909 9.393 1.732 95 H1* U 9 H1* U 9 1.235 8.024 0.889 96 H3 U 9 H3 U 9 2.071 8.662 5.377 97 H5 U 9 H5 U 9 5.415 10.178 3.327 98 H6 U 9 H6 U 9 4.180 9.929 1.264 99 1H5* U 10 1H5* U 10 -2.978 9.884 0.407 100 2H5* U 10 2H5* U 10 -3.873 10.956 -0.702 101 H4* U 10 H4* U 10 -4.673 10.862 1.743 102 H3* U 10 H3* U 10 -4.875 12.998 0.030 103 H2* U 10 H2* U 10 -2.669 13.835 0.630 104 2HO* U 10 2HO* U 10 -4.341 15.497 0.921 105 H1* U 10 H1* U 10 -3.514 13.454 3.509 106 H3 U 10 H3 U 10 0.375 14.796 5.336 107 H5 U 10 H5 U 10 1.587 13.174 1.643 108 H6 U 10 H6 U 10 -0.727 12.717 1.160 109 1H5* C 11 1H5* C 11 -7.924 15.009 4.375 110 2H5* C 11 2H5* C 11 -6.422 14.100 4.054 111 H4* C 11 H4* C 11 -9.048 12.891 4.970 112 H3* C 11 H3* C 11 -7.126 14.177 6.644 113 H2* C 11 H2* C 11 -5.519 12.459 6.408 114 2HO* C 11 2HO* C 11 -7.312 11.536 8.390 115 H1* C 11 H1* C 11 -7.797 10.480 6.192 116 1H4 C 11 1H4 C 11 -3.187 6.379 4.650 117 2H4 C 11 2H4 C 11 -2.234 7.634 3.893 118 H5 C 11 H5 C 11 -2.948 9.981 3.812 119 H6 C 11 H6 C 11 -4.696 11.530 4.435 120 1H5* C 12 1H5* C 12 -10.998 12.906 6.299 121 2H5* C 12 2H5* C 12 -11.867 14.464 6.491 122 H4* C 12 H4* C 12 -13.552 12.839 6.387 123 H3* C 12 H3* C 12 -13.584 14.254 8.674 124 H2* C 12 H2* C 12 -12.122 12.789 9.891 125 2HO* C 12 2HO* C 12 -14.059 12.978 11.115 126 H1* C 12 H1* C 12 -13.626 10.344 8.917 127 1H4 C 12 1H4 C 12 -8.308 7.760 11.345 128 2H4 C 12 2H4 C 12 -7.352 8.550 10.113 129 H5 C 12 H5 C 12 -8.306 10.151 8.504 130 H6 C 12 H6 C 12 -10.334 11.261 7.823 131 1H5* U 13 1H5* U 13 -17.253 10.668 5.867 132 2H5* U 13 2H5* U 13 -15.969 10.857 7.088 133 H4* U 13 H4* U 13 -15.330 12.500 4.830 134 H3* U 13 H3* U 13 -16.732 10.437 3.693 135 H2* U 13 H2* U 13 -15.446 8.751 4.826 136 2HO* U 13 2HO* U 13 -15.305 8.547 2.424 137 H1* U 13 H1* U 13 -12.980 10.337 4.068 138 H3 U 13 H3 U 13 -10.104 8.561 7.250 139 H5 U 13 H5 U 13 -13.523 6.100 7.267 140 H6 U 13 H6 U 13 -14.585 7.645 5.828 141 1H5* C 14 1H5* C 14 -12.914 12.226 1.144 142 2H5* C 14 2H5* C 14 -12.926 11.666 -0.549 143 H4* C 14 H4* C 14 -10.652 11.641 0.367 144 H3* C 14 H3* C 14 -11.761 8.842 0.043 145 H2* C 14 H2* C 14 -9.538 8.086 0.523 146 2HO* C 14 2HO* C 14 -7.799 9.611 0.592 147 H1* C 14 H1* C 14 -9.104 10.148 2.433 148 1H4 C 14 1H4 C 14 -10.100 4.917 5.901 149 2H4 C 14 2H4 C 14 -11.801 4.919 5.484 150 H5 C 14 H5 C 14 -12.788 6.519 3.907 151 H6 C 14 H6 C 14 -12.310 8.394 2.469 152 1H5* A 15 1H5* A 15 -8.322 8.631 -1.837 153 2H5* A 15 2H5* A 15 -8.411 7.804 -3.411 154 H4* A 15 H4* A 15 -6.761 6.735 -1.984 155 H3* A 15 H3* A 15 -9.276 5.087 -2.295 156 H2* A 15 H2* A 15 -8.152 3.319 -1.120 157 2HO* A 15 2HO* A 15 -5.941 3.432 -0.713 158 H1* A 15 H1* A 15 -7.085 5.059 0.770 159 H8 A 15 H8 A 15 -10.636 5.973 -0.265 160 1H6 A 15 1H6 A 15 -12.384 2.087 4.324 161 2H6 A 15 2H6 A 15 -12.964 3.271 3.166 162 H2 A 15 H2 A 15 -7.903 1.803 3.669 163 1H5* C 16 1H5* C 16 -6.045 2.760 -3.892 164 2H5* C 16 2H5* C 16 -6.570 1.706 -5.232 165 H4* C 16 H4* C 16 -5.483 0.543 -3.264 166 H3* C 16 H3* C 16 -8.320 -0.202 -4.009 167 H2* C 16 H2* C 16 -8.206 -1.932 -2.370 168 2HO* C 16 2HO* C 16 -6.223 -2.514 -1.427 169 H1* C 16 H1* C 16 -6.766 -0.363 -0.548 170 1H4 C 16 1H4 C 16 -12.839 -0.356 1.402 171 2H4 C 16 2H4 C 16 -13.133 1.095 0.464 172 H5 C 16 H5 C 16 -11.460 2.059 -1.069 173 H6 C 16 H6 C 16 -9.223 1.789 -1.955 174 1H5* G 17 1H5* G 17 -5.363 -3.497 -4.104 175 2H5* G 17 2H5* G 17 -5.718 -4.633 -5.431 176 H4* G 17 H4* G 17 -5.204 -5.812 -3.336 177 H3* G 17 H3* G 17 -8.080 -6.016 -4.254 178 H2* G 17 H2* G 17 -8.492 -7.539 -2.442 179 2HO* G 17 2HO* G 17 -6.761 -8.278 -1.153 180 H1* G 17 H1* G 17 -7.186 -6.001 -0.593 181 H8 G 17 H8 G 17 -8.825 -3.664 -3.080 182 H1 G 17 H1 G 17 -12.879 -5.931 1.305 183 1H2 G 17 1H2 G 17 -11.934 -7.560 2.461 184 2H2 G 17 2H2 G 17 -10.294 -8.088 2.154 185 1H5* G 18 1H5* G 18 -7.024 -9.876 -3.514 186 2H5* G 18 2H5* G 18 -7.594 -11.002 -4.774 187 H4* G 18 H4* G 18 -8.377 -11.608 -2.495 188 H3* G 18 H3* G 18 -10.511 -10.749 -4.461 189 H2* G 18 H2* G 18 -12.155 -11.339 -2.831 190 2HO* G 18 2HO* G 18 -11.127 -13.310 -2.128 191 H1* G 18 H1* G 18 -10.678 -10.306 -0.691 192 H8 G 18 H8 G 18 -10.534 -7.970 -3.690 193 H1 G 18 H1 G 18 -15.833 -7.305 -0.157 194 1H2 G 18 1H2 G 18 -15.974 -8.937 1.325 195 2H2 G 18 2H2 G 18 -14.764 -10.196 1.444 196 1H5* G 19 1H5* G 19 -13.224 -14.372 -6.537 197 2H5* G 19 2H5* G 19 -13.305 -12.589 -6.597 198 H4* G 19 H4* G 19 -14.662 -14.403 -4.580 199 H3* G 19 H3* G 19 -15.747 -12.671 -6.814 200 H2* G 19 H2* G 19 -17.751 -12.399 -5.524 201 2HO* G 19 2HO* G 19 -17.999 -13.567 -3.558 202 H1* G 19 H1* G 19 -16.381 -11.919 -3.187 203 H8 G 19 H8 G 19 -15.165 -10.682 -6.682 204 H1 G 19 H1 G 19 -18.123 -6.304 -3.074 205 1H2 G 19 1H2 G 19 -18.827 -7.213 -1.197 206 2H2 G 19 2H2 G 19 -18.570 -8.901 -0.822 207 1H5* U 20 1H5* U 20 -17.665 -12.625 -9.336 208 2H5* U 20 2H5* U 20 -17.789 -13.152 -7.641 209 H4* U 20 H4* U 20 -19.659 -13.786 -9.934 210 H3* U 20 H3* U 20 -20.040 -12.462 -7.238 211 H2* U 20 H2* U 20 -22.309 -13.181 -7.288 212 2HO* U 20 2HO* U 20 -22.708 -12.639 -9.514 213 H1* U 20 H1* U 20 -21.693 -15.657 -8.478 214 H3 U 20 H3 U 20 -22.557 -17.683 -4.599 215 H5 U 20 H5 U 20 -20.260 -14.377 -3.385 216 H6 U 20 H6 U 20 -20.089 -13.719 -5.711 217 1H5* G 21 1H5* G 21 -21.073 -8.145 -6.643 218 2H5* G 21 2H5* G 21 -20.115 -8.900 -5.339 219 H4* G 21 H4* G 21 -23.067 -9.008 -5.862 220 H3* G 21 H3* G 21 -21.323 -8.664 -3.423 221 H2* G 21 H2* G 21 -23.072 -9.547 -2.057 222 2HO* G 21 2HO* G 21 -24.836 -8.519 -3.187 223 H1* G 21 H1* G 21 -23.633 -11.629 -3.677 224 H8 G 21 H8 G 21 -19.915 -10.859 -3.891 225 H1 G 21 H1 G 21 -21.516 -14.544 1.080 226 1H2 G 21 1H2 G 21 -23.716 -14.639 1.286 227 2H2 G 21 2H2 G 21 -24.791 -13.795 0.197 228 1H5* A 22 1H5* A 22 -24.763 -6.545 -2.333 229 2H5* A 22 2H5* A 22 -24.476 -5.218 -1.173 230 H4* A 22 H4* A 22 -25.827 -7.058 -0.204 231 H3* A 22 H3* A 22 -23.062 -6.711 0.968 232 H2* A 22 H2* A 22 -23.669 -8.349 2.631 233 2HO* A 22 2HO* A 22 -25.926 -7.686 2.804 234 H1* A 22 H1* A 22 -24.644 -10.076 0.756 235 H8 A 22 H8 A 22 -21.898 -8.401 -1.095 236 1H6 A 22 1H6 A 22 -17.836 -11.907 1.919 237 2H6 A 22 2H6 A 22 -18.072 -10.803 0.585 238 H2 A 22 H2 A 22 -21.785 -12.333 3.942 239 1H5* C 23 1H5* C 23 -23.981 -6.464 3.787 240 2H5* C 23 2H5* C 23 -23.196 -5.498 5.058 241 H4* C 23 H4* C 23 -22.342 -7.888 4.660 242 H3* C 23 H3* C 23 -20.435 -5.545 4.565 243 H2* C 23 H2* C 23 -18.648 -7.136 4.407 244 2HO* C 23 2HO* C 23 -19.068 -9.364 4.665 245 H1* C 23 H1* C 23 -19.991 -8.723 2.571 246 1H4 C 23 1H4 C 23 -16.318 -4.781 -0.847 247 2H4 C 23 2H4 C 23 -17.618 -3.610 -0.900 248 H5 C 23 H5 C 23 -19.715 -3.891 0.357 249 H6 C 23 H6 C 23 -20.932 -5.342 1.863 250 1H5* C 24 1H5* C 24 -18.982 -8.272 7.437 251 2H5* C 24 2H5* C 24 -18.198 -7.455 8.816 252 H4* C 24 H4* C 24 -16.716 -9.100 7.693 253 H3* C 24 H3* C 24 -15.876 -6.204 7.409 254 H2* C 24 H2* C 24 -13.834 -7.023 6.453 255 2HO* C 24 2HO* C 24 -13.303 -9.199 6.529 256 H1* C 24 H1* C 24 -15.143 -8.912 4.894 257 1H4 C 24 1H4 C 24 -14.368 -3.825 1.123 258 2H4 C 24 2H4 C 24 -15.760 -3.045 1.842 259 H5 C 24 H5 C 24 -16.991 -4.001 3.734 260 H6 C 24 H6 C 24 -17.103 -5.864 5.265 261 1H5* G 25 1H5* G 25 -12.707 -8.345 9.080 262 2H5* G 25 2H5* G 25 -11.756 -7.406 10.257 263 H4* G 25 H4* G 25 -10.382 -8.352 8.414 264 H3* G 25 H3* G 25 -10.599 -5.336 8.496 265 H2* G 25 H2* G 25 -8.975 -5.266 6.740 266 2HO* G 25 2HO* G 25 -7.995 -7.247 6.033 267 H1* G 25 H1* G 25 -10.162 -7.291 5.302 268 H8 G 25 H8 G 25 -12.978 -5.291 6.791 269 H1 G 25 H1 G 25 -10.225 -2.363 1.796 270 1H2 G 25 1H2 G 25 -8.342 -3.404 1.262 271 2H2 G 25 2H2 G 25 -7.769 -4.809 2.130 272 1H5* U 26 1H5* U 26 -6.559 -6.034 8.228 273 2H5* U 26 2H5* U 26 -5.613 -4.829 9.141 274 H4* U 26 H4* U 26 -5.237 -4.947 6.605 275 H3* U 26 H3* U 26 -6.027 -2.337 7.915 276 H2* U 26 H2* U 26 -5.757 -1.271 5.796 277 2HO* U 26 2HO* U 26 -4.700 -2.290 4.093 278 H1* U 26 H1* U 26 -6.848 -3.404 4.346 279 H3 U 26 H3 U 26 -9.507 0.354 3.974 280 H5 U 26 H5 U 26 -10.869 -1.708 7.381 281 H6 U 26 H6 U 26 -8.919 -3.136 7.216 282 1H5* G 27 1H5* G 27 -2.422 -2.263 5.597 283 2H5* G 27 2H5* G 27 -1.198 -1.074 6.106 284 H4* G 27 H4* G 27 -2.219 -1.138 3.638 285 H3* G 27 H3* G 27 -0.610 0.708 4.855 286 H2* G 27 H2* G 27 -2.401 1.867 5.916 287 2HO* G 27 2HO* G 27 -2.839 3.770 4.586 288 H1* G 27 H1* G 27 -3.949 1.769 3.311 289 H8 G 27 H8 G 27 -5.000 0.414 6.715 290 H1 G 27 H1 G 27 -7.988 5.788 5.003 291 1H2 G 27 1H2 G 27 -7.073 6.628 3.179 292 2H2 G 27 2H2 G 27 -5.727 5.854 2.371 293 1H5* G 28 1H5* G 28 -1.788 1.962 -0.012 294 2H5* G 28 2H5* G 28 -1.869 0.440 -0.933 295 H4* G 28 H4* G 28 -0.798 1.835 -2.425 296 H3* G 28 H3* G 28 1.300 0.425 -0.791 297 H2* G 28 H2* G 28 3.042 1.671 -1.809 298 2HO* G 28 2HO* G 28 0.996 2.590 -3.579 299 H1* G 28 H1* G 28 1.862 4.068 -1.603 300 H8 G 28 H8 G 28 0.559 2.279 1.439 301 H1 G 28 H1 G 28 6.645 4.135 2.077 302 1H2 G 28 1H2 G 28 7.465 4.781 0.127 303 2H2 G 28 2H2 G 28 6.509 4.755 -1.339 304 1H5* U 29 1H5* U 29 2.692 -0.162 -4.870 305 2H5* U 29 2H5* U 29 3.477 -1.762 -4.993 306 H4* U 29 H4* U 29 4.935 0.234 -5.554 307 H3* U 29 H3* U 29 5.778 -1.556 -3.262 308 H2* U 29 H2* U 29 7.806 -0.306 -3.176 309 2HO* U 29 2HO* U 29 8.278 1.228 -4.843 310 H1* U 29 H1* U 29 6.526 2.140 -3.689 311 H3 U 29 H3 U 29 8.433 1.963 0.586 312 H5 U 29 H5 U 29 4.522 0.423 0.937 313 H6 U 29 H6 U 29 4.378 0.421 -1.466 314 1H5* C 30 1H5* C 30 9.126 -1.319 -5.741 315 2H5* C 30 2H5* C 30 10.073 -2.829 -5.682 316 H4* C 30 H4* C 30 11.204 -0.655 -4.871 317 H3* C 30 H3* C 30 11.106 -3.108 -3.102 318 H2* C 30 H2* C 30 12.511 -1.942 -1.557 319 2HO* C 30 2HO* C 30 13.417 0.094 -2.151 320 H1* C 30 H1* C 30 11.159 0.472 -1.862 321 1H4 C 30 1H4 C 30 8.886 -2.532 3.345 322 2H4 C 30 2H4 C 30 7.470 -2.966 2.412 323 H5 C 30 H5 C 30 7.286 -2.553 0.000 324 H6 C 30 H6 C 30 8.435 -1.674 -1.935 325 1H5* C 31 1H5* C 31 15.001 -2.001 -2.813 326 2H5* C 31 2H5* C 31 16.046 -3.371 -3.273 327 H4* C 31 H4* C 31 16.777 -2.496 -1.137 328 H3* C 31 H3* C 31 15.266 -5.104 -0.855 329 H2* C 31 H2* C 31 15.866 -5.096 1.464 330 2HO* C 31 2HO* C 31 18.039 -4.209 1.086 331 H1* C 31 H1* C 31 15.254 -2.427 1.786 332 1H4 C 31 1H4 C 31 9.956 -5.624 3.331 333 2H4 C 31 2H4 C 31 9.427 -5.571 1.663 334 H5 C 31 H5 C 31 10.834 -4.694 -0.154 335 H6 C 31 H6 C 31 12.987 -3.723 -0.667 336 1H5* U 32 1H5* U 32 18.272 -6.292 1.632 337 2H5* U 32 2H5* U 32 19.168 -7.447 0.613 338 H4* U 32 H4* U 32 18.918 -8.597 2.617 339 H3* U 32 H3* U 32 16.560 -9.374 0.891 340 H2* U 32 H2* U 32 15.942 -10.916 2.579 341 2HO* U 32 2HO* U 32 18.336 -10.151 3.942 342 H1* U 32 H1* U 32 16.267 -9.192 4.602 343 H3 U 32 H3 U 32 11.862 -9.750 4.018 344 H5 U 32 H5 U 32 12.876 -6.794 1.235 345 H6 U 32 H6 U 32 15.248 -7.223 1.743 346 1H5* C 33 1H5* C 33 18.513 -12.932 2.561 347 2H5* C 33 2H5* C 33 18.098 -14.357 1.579 348 H4* C 33 H4* C 33 17.416 -14.368 4.066 349 H3* C 33 H3* C 33 15.308 -14.835 1.939 350 H2* C 33 H2* C 33 13.823 -15.378 3.724 351 2HO* C 33 2HO* C 33 14.604 -15.539 5.872 352 H1* C 33 H1* C 33 14.659 -13.277 5.314 353 1H4 C 33 1H4 C 33 9.471 -11.241 2.201 354 2H4 C 33 2H4 C 33 10.469 -10.706 0.865 355 H5 C 33 H5 C 33 12.894 -11.143 0.746 356 H6 C 33 H6 C 33 14.755 -12.185 1.888 357 1H5* C 34 1H5* C 34 15.320 -17.958 4.973 358 2H5* C 34 2H5* C 34 14.813 -19.497 4.239 359 H4* C 34 H4* C 34 13.492 -18.747 6.272 360 H3* C 34 H3* C 34 12.031 -19.190 3.657 361 H2* C 34 H2* C 34 9.980 -18.854 4.837 362 2HO* C 34 2HO* C 34 11.606 -18.961 7.197 363 H1* C 34 H1* C 34 10.970 -16.735 6.358 364 1H4 C 34 1H4 C 34 7.861 -14.165 1.396 365 2H4 C 34 2H4 C 34 9.335 -14.196 0.453 366 H5 C 34 H5 C 34 11.409 -15.262 1.244 367 H6 C 34 H6 C 34 12.413 -16.470 3.076 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -1.994 -11.814 3.078 2 2H5* G 1 2H5* G 1 -0.778 -11.946 1.808 3 H4* G 1 H4* G 1 -1.382 -14.071 3.876 4 H3* G 1 H3* G 1 0.879 -12.068 3.693 5 H2* G 1 H2* G 1 2.300 -13.690 4.719 6 2HO* G 1 2HO* G 1 1.472 -15.578 5.610 7 H1* G 1 H1* G 1 1.418 -15.755 3.165 8 H8 G 1 H8 G 1 1.453 -12.728 0.941 9 H1 G 1 H1 G 1 7.306 -15.079 1.987 10 1H2 G 1 1H2 G 1 7.251 -16.570 3.618 11 2H2 G 1 2H2 G 1 5.766 -16.997 4.441 12 1H5* G 2 1H5* G 2 1.054 -13.532 7.789 13 2H5* G 2 2H5* G 2 1.624 -12.192 8.820 14 H4* G 2 H4* G 2 3.032 -14.330 8.810 15 H3* G 2 H3* G 2 4.322 -11.692 8.069 16 H2* G 2 H2* G 2 6.420 -12.840 8.044 17 2HO* G 2 2HO* G 2 6.567 -14.991 8.809 18 H1* G 2 H1* G 2 5.379 -15.090 6.772 19 H8 G 2 H8 G 2 3.777 -12.357 4.879 20 H1 G 2 H1 G 2 10.049 -12.641 3.660 21 1H2 G 2 1H2 G 2 11.065 -13.916 5.152 22 2H2 G 2 2H2 G 2 10.197 -14.713 6.445 23 1H5* A 3 1H5* A 3 6.789 -13.246 11.375 24 2H5* A 3 2H5* A 3 7.030 -11.848 12.459 25 H4* A 3 H4* A 3 9.165 -12.929 11.929 26 H3* A 3 H3* A 3 8.813 -10.228 10.604 27 H2* A 3 H2* A 3 11.122 -10.393 9.923 28 2HO* A 3 2HO* A 3 11.142 -12.804 11.476 29 H1* A 3 H1* A 3 10.819 -12.957 9.014 30 H8 A 3 H8 A 3 7.526 -11.297 8.302 31 1H6 A 3 1H6 A 3 10.189 -8.749 3.331 32 2H6 A 3 2H6 A 3 8.676 -9.040 4.159 33 H2 A 3 H2 A 3 13.389 -10.608 5.870 34 1H5* G 4 1H5* G 4 12.429 -9.965 12.636 35 2H5* G 4 2H5* G 4 12.586 -8.420 13.509 36 H4* G 4 H4* G 4 14.532 -8.852 12.066 37 H3* G 4 H3* G 4 12.762 -6.587 11.113 38 H2* G 4 H2* G 4 14.424 -6.127 9.441 39 2HO* G 4 2HO* G 4 16.303 -6.568 10.724 40 H1* G 4 H1* G 4 14.677 -8.761 8.729 41 H8 G 4 H8 G 4 11.065 -8.412 9.605 42 H1 G 4 H1 G 4 12.492 -5.708 3.995 43 1H2 G 4 1H2 G 4 14.681 -5.546 3.757 44 2H2 G 4 2H2 G 4 15.795 -6.122 4.978 45 1H5* G 5 1H5* G 5 16.673 -4.628 11.293 46 2H5* G 5 2H5* G 5 16.361 -3.061 12.084 47 H4* G 5 H4* G 5 17.543 -2.872 9.888 48 H3* G 5 H3* G 5 14.776 -1.650 10.053 49 H2* G 5 H2* G 5 15.139 -0.745 7.859 50 2HO* G 5 2HO* G 5 17.203 -1.026 6.856 51 H1* G 5 H1* G 5 16.163 -3.096 6.865 52 H8 G 5 H8 G 5 13.491 -4.219 9.234 53 H1 G 5 H1 G 5 11.073 -1.766 3.846 54 1H2 G 5 1H2 G 5 12.655 -0.737 2.689 55 2H2 G 5 2H2 G 5 14.308 -0.646 3.254 56 1H5* A 6 1H5* A 6 17.721 1.472 8.709 57 2H5* A 6 2H5* A 6 17.094 3.054 9.246 58 H4* A 6 H4* A 6 17.579 2.707 6.724 59 H3* A 6 H3* A 6 14.894 3.732 7.681 60 H2* A 6 H2* A 6 14.320 4.075 5.385 61 2HO* A 6 2HO* A 6 15.899 3.803 3.751 62 H1* A 6 H1* A 6 15.387 1.676 4.559 63 H8 A 6 H8 A 6 13.680 1.057 7.870 64 1H6 A 6 1H6 A 6 8.368 0.707 4.732 65 2H6 A 6 2H6 A 6 9.147 0.435 6.272 66 H2 A 6 H2 A 6 11.534 2.253 1.956 67 1H5* C 7 1H5* C 7 16.265 6.281 4.597 68 2H5* C 7 2H5* C 7 15.686 7.948 4.846 69 H4* C 7 H4* C 7 14.979 6.806 2.678 70 H3* C 7 H3* C 7 12.837 7.817 4.553 71 H2* C 7 H2* C 7 11.248 7.333 2.816 72 2HO* C 7 2HO* C 7 12.023 6.605 0.762 73 H1* C 7 H1* C 7 12.389 4.882 2.251 74 1H4 C 7 1H4 C 7 7.716 3.851 6.501 75 2H4 C 7 2H4 C 7 8.885 3.978 7.798 76 H5 C 7 H5 C 7 11.227 4.638 7.429 77 H6 C 7 H6 C 7 12.835 5.298 5.750 78 1H5* A 8 1H5* A 8 11.897 9.548 0.892 79 2H5* A 8 2H5* A 8 11.263 11.203 1.100 80 H4* A 8 H4* A 8 9.686 9.650 -0.064 81 H3* A 8 H3* A 8 8.817 10.768 2.609 82 H2* A 8 H2* A 8 6.673 9.718 2.262 83 2HO* A 8 2HO* A 8 7.754 9.016 -0.302 84 H1* A 8 H1* A 8 7.745 7.340 1.600 85 H8 A 8 H8 A 8 10.338 8.410 3.963 86 1H6 A 8 1H6 A 8 6.436 7.306 8.632 87 2H6 A 8 2H6 A 8 8.100 7.623 8.199 88 H2 A 8 H2 A 8 4.101 7.310 4.811 89 1H5* U 9 1H5* U 9 5.853 10.930 0.531 90 2H5* U 9 2H5* U 9 5.106 12.486 0.119 91 H4* U 9 H4* U 9 3.421 10.846 0.781 92 H3* U 9 H3* U 9 3.859 13.212 2.559 93 H2* U 9 H2* U 9 2.528 12.357 4.230 94 2HO* U 9 2HO* U 9 0.841 10.884 3.891 95 H1* U 9 H1* U 9 2.822 9.585 3.721 96 H3 U 9 H3 U 9 3.921 10.369 8.114 97 H5 U 9 H5 U 9 7.339 11.312 5.861 98 H6 U 9 H6 U 9 6.006 11.106 3.864 99 1H5* U 10 1H5* U 10 0.286 16.277 1.575 100 2H5* U 10 2H5* U 10 1.337 15.087 2.371 101 H4* U 10 H4* U 10 -0.554 13.737 0.683 102 H3* U 10 H3* U 10 -1.792 16.013 2.090 103 H2* U 10 H2* U 10 -2.080 14.758 4.069 104 2HO* U 10 2HO* U 10 -4.222 14.693 3.191 105 H1* U 10 H1* U 10 -1.903 12.260 2.369 106 H3 U 10 H3 U 10 -2.635 9.871 6.185 107 H5 U 10 H5 U 10 0.744 12.214 7.047 108 H6 U 10 H6 U 10 0.428 13.360 4.926 109 1H5* C 11 1H5* C 11 -5.524 13.802 -0.965 110 2H5* C 11 2H5* C 11 -6.955 14.550 -0.205 111 H4* C 11 H4* C 11 -7.474 12.267 -0.275 112 H3* C 11 H3* C 11 -6.833 13.270 2.387 113 H2* C 11 H2* C 11 -5.293 11.594 2.875 114 2HO* C 11 2HO* C 11 -7.003 10.717 4.024 115 H1* C 11 H1* C 11 -6.431 9.791 0.739 116 1H4 C 11 1H4 C 11 -0.740 7.020 1.535 117 2H4 C 11 2H4 C 11 0.071 8.570 1.554 118 H5 C 11 H5 C 11 -1.135 10.710 1.406 119 H6 C 11 H6 C 11 -3.321 11.718 1.200 120 1H5* C 12 1H5* C 12 -10.804 10.766 2.695 121 2H5* C 12 2H5* C 12 -12.050 11.738 1.865 122 H4* C 12 H4* C 12 -13.334 11.393 3.650 123 H3* C 12 H3* C 12 -12.001 13.695 4.354 124 H2* C 12 H2* C 12 -10.276 12.618 5.578 125 2HO* C 12 2HO* C 12 -10.903 12.628 7.847 126 H1* C 12 H1* C 12 -12.264 10.686 6.798 127 1H4 C 12 1H4 C 12 -6.723 8.002 8.484 128 2H4 C 12 2H4 C 12 -6.220 7.915 6.811 129 H5 C 12 H5 C 12 -7.549 8.859 4.966 130 H6 C 12 H6 C 12 -9.593 10.033 4.421 131 1H5* U 13 1H5* U 13 -16.530 12.547 3.023 132 2H5* U 13 2H5* U 13 -15.207 11.454 3.506 133 H4* U 13 H4* U 13 -14.512 12.659 1.011 134 H3* U 13 H3* U 13 -17.164 12.742 0.846 135 H2* U 13 H2* U 13 -17.457 10.580 1.870 136 2HO* U 13 2HO* U 13 -17.583 10.186 -0.940 137 H1* U 13 H1* U 13 -15.522 9.431 -0.143 138 H3 U 13 H3 U 13 -14.836 5.471 2.114 139 H5 U 13 H5 U 13 -16.992 7.912 4.810 140 H6 U 13 H6 U 13 -16.825 9.671 3.260 141 1H5* C 14 1H5* C 14 -13.800 10.817 -2.700 142 2H5* C 14 2H5* C 14 -14.166 10.206 -1.071 143 H4* C 14 H4* C 14 -11.432 10.913 -2.169 144 H3* C 14 H3* C 14 -12.682 8.279 -1.342 145 H2* C 14 H2* C 14 -10.478 7.505 -0.846 146 2HO* C 14 2HO* C 14 -8.651 8.769 -1.478 147 H1* C 14 H1* C 14 -9.663 9.988 0.191 148 1H4 C 14 1H4 C 14 -10.879 6.254 5.229 149 2H4 C 14 2H4 C 14 -12.553 6.743 5.187 150 H5 C 14 H5 C 14 -13.491 8.158 3.399 151 H6 C 14 H6 C 14 -12.957 9.312 1.347 152 1H5* A 15 1H5* A 15 -9.441 7.503 -3.820 153 2H5* A 15 2H5* A 15 -9.743 6.187 -4.981 154 H4* A 15 H4* A 15 -7.672 5.855 -3.665 155 H3* A 15 H3* A 15 -9.906 3.879 -3.188 156 H2* A 15 H2* A 15 -8.453 2.641 -1.728 157 2HO* A 15 2HO* A 15 -6.232 3.277 -1.555 158 H1* A 15 H1* A 15 -7.481 4.885 -0.463 159 H8 A 15 H8 A 15 -11.107 5.414 -1.291 160 1H6 A 15 1H6 A 15 -12.336 2.383 4.019 161 2H6 A 15 2H6 A 15 -13.039 3.338 2.731 162 H2 A 15 H2 A 15 -7.942 2.023 3.067 163 1H5* C 16 1H5* C 16 -6.462 1.699 -4.495 164 2H5* C 16 2H5* C 16 -6.880 0.315 -5.542 165 H4* C 16 H4* C 16 -5.483 -0.235 -3.514 166 H3* C 16 H3* C 16 -8.202 -1.522 -3.825 167 H2* C 16 H2* C 16 -7.718 -2.848 -1.891 168 2HO* C 16 2HO* C 16 -5.615 -2.740 -0.939 169 H1* C 16 H1* C 16 -6.646 -0.732 -0.474 170 1H4 C 16 1H4 C 16 -12.842 -1.190 1.104 171 2H4 C 16 2H4 C 16 -13.180 0.139 0.014 172 H5 C 16 H5 C 16 -11.485 1.098 -1.487 173 H6 C 16 H6 C 16 -9.188 0.934 -2.207 174 1H5* G 17 1H5* G 17 -5.368 -4.590 -3.300 175 2H5* G 17 2H5* G 17 -5.602 -5.912 -4.472 176 H4* G 17 H4* G 17 -5.407 -6.812 -2.221 177 H3* G 17 H3* G 17 -8.223 -6.917 -3.326 178 H2* G 17 H2* G 17 -8.872 -8.153 -1.367 179 2HO* G 17 2HO* G 17 -7.287 -8.834 0.126 180 H1* G 17 H1* G 17 -7.545 -6.463 0.348 181 H8 G 17 H8 G 17 -8.861 -4.350 -2.496 182 H1 G 17 H1 G 17 -13.335 -5.825 1.832 183 1H2 G 17 1H2 G 17 -12.580 -7.377 3.217 184 2H2 G 17 2H2 G 17 -10.967 -8.041 3.079 185 1H5* G 18 1H5* G 18 -7.592 -10.739 -2.100 186 2H5* G 18 2H5* G 18 -8.089 -11.935 -3.326 187 H4* G 18 H4* G 18 -9.158 -12.331 -1.135 188 H3* G 18 H3* G 18 -11.036 -11.407 -3.322 189 H2* G 18 H2* G 18 -12.847 -11.813 -1.818 190 2HO* G 18 2HO* G 18 -12.084 -13.822 -0.964 191 H1* G 18 H1* G 18 -11.434 -10.834 0.411 192 H8 G 18 H8 G 18 -10.986 -8.557 -2.596 193 H1 G 18 H1 G 18 -16.456 -7.574 0.588 194 1H2 G 18 1H2 G 18 -16.764 -9.174 2.082 195 2H2 G 18 2H2 G 18 -15.631 -10.489 2.289 196 1H5* G 19 1H5* G 19 -13.723 -14.764 -5.740 197 2H5* G 19 2H5* G 19 -13.647 -12.979 -5.704 198 H4* G 19 H4* G 19 -15.313 -14.676 -3.824 199 H3* G 19 H3* G 19 -16.133 -13.127 -6.294 200 H2* G 19 H2* G 19 -18.253 -12.774 -5.237 201 2HO* G 19 2HO* G 19 -18.788 -13.880 -3.327 202 H1* G 19 H1* G 19 -17.108 -12.270 -2.751 203 H8 G 19 H8 G 19 -15.845 -10.977 -6.200 204 H1 G 19 H1 G 19 -18.961 -6.709 -2.593 205 1H2 G 19 1H2 G 19 -19.658 -7.653 -0.729 206 2H2 G 19 2H2 G 19 -19.354 -9.336 -0.364 207 1H5* U 20 1H5* U 20 -19.336 -14.003 -8.891 208 2H5* U 20 2H5* U 20 -20.076 -12.906 -7.706 209 H4* U 20 H4* U 20 -21.458 -14.868 -8.921 210 H3* U 20 H3* U 20 -21.761 -13.921 -6.066 211 H2* U 20 H2* U 20 -23.402 -15.587 -5.672 212 2HO* U 20 2HO* U 20 -23.403 -15.917 -8.520 213 H1* U 20 H1* U 20 -22.151 -17.566 -7.174 214 H3 U 20 H3 U 20 -21.103 -19.536 -3.310 215 H5 U 20 H5 U 20 -19.768 -15.595 -2.696 216 H6 U 20 H6 U 20 -20.578 -15.034 -4.910 217 1H5* G 21 1H5* G 21 -21.992 -9.531 -6.341 218 2H5* G 21 2H5* G 21 -20.956 -10.229 -5.065 219 H4* G 21 H4* G 21 -23.946 -10.369 -5.387 220 H3* G 21 H3* G 21 -22.066 -9.655 -3.141 221 H2* G 21 H2* G 21 -23.658 -10.417 -1.544 222 2HO* G 21 2HO* G 21 -25.549 -9.602 -2.643 223 H1* G 21 H1* G 21 -24.253 -12.712 -2.815 224 H8 G 21 H8 G 21 -20.613 -11.771 -3.444 225 H1 G 21 H1 G 21 -21.573 -14.996 1.987 226 1H2 G 21 1H2 G 21 -23.738 -15.200 2.384 227 2H2 G 21 2H2 G 21 -24.949 -14.543 1.309 228 1H5* A 22 1H5* A 22 -25.615 -7.372 -2.130 229 2H5* A 22 2H5* A 22 -25.234 -6.051 -0.993 230 H4* A 22 H4* A 22 -26.624 -7.955 -0.052 231 H3* A 22 H3* A 22 -23.949 -7.357 1.224 232 H2* A 22 H2* A 22 -24.554 -8.933 2.952 233 2HO* A 22 2HO* A 22 -26.619 -9.915 2.905 234 H1* A 22 H1* A 22 -25.319 -10.815 1.112 235 H8 A 22 H8 A 22 -22.551 -9.095 -0.659 236 1H6 A 22 1H6 A 22 -18.516 -12.194 2.810 237 2H6 A 22 2H6 A 22 -18.721 -11.183 1.399 238 H2 A 22 H2 A 22 -22.561 -12.723 4.606 239 1H5* C 23 1H5* C 23 -24.936 -6.943 3.994 240 2H5* C 23 2H5* C 23 -24.223 -5.802 5.158 241 H4* C 23 H4* C 23 -23.229 -8.178 5.001 242 H3* C 23 H3* C 23 -21.455 -5.746 4.712 243 H2* C 23 H2* C 23 -19.588 -7.253 4.771 244 2HO* C 23 2HO* C 23 -19.908 -9.459 5.241 245 H1* C 23 H1* C 23 -20.796 -9.066 3.056 246 1H4 C 23 1H4 C 23 -17.148 -5.223 -0.518 247 2H4 C 23 2H4 C 23 -18.527 -4.175 -0.788 248 H5 C 23 H5 C 23 -20.683 -4.490 0.356 249 H6 C 23 H6 C 23 -21.899 -5.869 1.935 250 1H5* C 24 1H5* C 24 -19.907 -8.179 7.746 251 2H5* C 24 2H5* C 24 -19.243 -7.230 9.102 252 H4* C 24 H4* C 24 -17.621 -8.864 8.162 253 H3* C 24 H3* C 24 -16.911 -5.950 7.737 254 H2* C 24 H2* C 24 -14.784 -6.719 6.947 255 2HO* C 24 2HO* C 24 -14.254 -8.965 7.120 256 H1* C 24 H1* C 24 -15.910 -8.851 5.525 257 1H4 C 24 1H4 C 24 -14.918 -4.213 1.255 258 2H4 C 24 2H4 C 24 -16.404 -3.423 1.733 259 H5 C 24 H5 C 24 -17.786 -4.207 3.610 260 H6 C 24 H6 C 24 -17.982 -5.876 5.343 261 1H5* G 25 1H5* G 25 -13.700 -7.797 9.569 262 2H5* G 25 2H5* G 25 -13.075 -6.840 10.935 263 H4* G 25 H4* G 25 -11.248 -7.497 9.475 264 H3* G 25 H3* G 25 -11.954 -4.566 9.202 265 H2* G 25 H2* G 25 -10.014 -4.340 7.816 266 2HO* G 25 2HO* G 25 -8.599 -6.145 7.545 267 H1* G 25 H1* G 25 -10.546 -6.647 6.397 268 H8 G 25 H8 G 25 -13.853 -4.963 7.103 269 H1 G 25 H1 G 25 -10.603 -2.201 2.318 270 1H2 G 25 1H2 G 25 -8.539 -2.994 2.251 271 2H2 G 25 2H2 G 25 -7.962 -4.202 3.378 272 1H5* U 26 1H5* U 26 -7.883 -4.710 9.948 273 2H5* U 26 2H5* U 26 -7.310 -3.299 10.876 274 H4* U 26 H4* U 26 -6.326 -3.681 8.524 275 H3* U 26 H3* U 26 -7.592 -1.030 9.250 276 H2* U 26 H2* U 26 -6.841 -0.197 7.137 277 2HO* U 26 2HO* U 26 -5.370 -1.388 5.877 278 H1* U 26 H1* U 26 -7.430 -2.580 5.781 279 H3 U 26 H3 U 26 -10.060 0.976 4.352 280 H5 U 26 H5 U 26 -12.194 -0.962 7.427 281 H6 U 26 H6 U 26 -10.195 -2.234 7.926 282 1H5* G 27 1H5* G 27 -3.484 -0.981 7.943 283 2H5* G 27 2H5* G 27 -2.535 0.464 8.373 284 H4* G 27 H4* G 27 -3.224 -0.381 5.811 285 H3* G 27 H3* G 27 -1.507 1.525 6.734 286 H2* G 27 H2* G 27 -3.225 3.121 7.226 287 2HO* G 27 2HO* G 27 -1.709 4.113 5.789 288 H1* G 27 H1* G 27 -4.481 2.483 4.547 289 H8 G 27 H8 G 27 -5.635 2.696 8.236 290 H1 G 27 H1 G 27 -8.806 6.473 4.165 291 1H2 G 27 1H2 G 27 -7.931 6.325 2.142 292 2H2 G 27 2H2 G 27 -6.572 5.281 1.792 293 1H5* G 28 1H5* G 28 -2.152 4.043 2.117 294 2H5* G 28 2H5* G 28 -1.693 2.343 1.847 295 H4* G 28 H4* G 28 -0.716 4.087 0.268 296 H3* G 28 H3* G 28 1.054 2.188 1.797 297 H2* G 28 H2* G 28 2.959 3.115 0.721 298 2HO* G 28 2HO* G 28 2.695 4.661 -0.952 299 H1* G 28 H1* G 28 2.218 5.689 1.085 300 H8 G 28 H8 G 28 0.906 4.065 4.187 301 H1 G 28 H1 G 28 7.279 4.673 4.213 302 1H2 G 28 1H2 G 28 8.004 5.220 2.199 303 2H2 G 28 2H2 G 28 6.915 5.436 0.847 304 1H5* U 29 1H5* U 29 1.970 1.844 -2.424 305 2H5* U 29 2H5* U 29 2.372 0.164 -2.876 306 H4* U 29 H4* U 29 4.099 1.853 -3.534 307 H3* U 29 H3* U 29 4.933 -0.230 -1.501 308 H2* U 29 H2* U 29 7.140 0.612 -1.705 309 2HO* U 29 2HO* U 29 7.713 2.020 -3.390 310 H1* U 29 H1* U 29 6.301 3.276 -1.961 311 H3 U 29 H3 U 29 8.881 2.619 1.888 312 H5 U 29 H5 U 29 4.915 1.646 2.936 313 H6 U 29 H6 U 29 4.330 1.801 0.605 314 1H5* C 30 1H5* C 30 7.778 -0.250 -4.695 315 2H5* C 30 2H5* C 30 8.564 -1.845 -4.819 316 H4* C 30 H4* C 30 9.996 0.263 -4.215 317 H3* C 30 H3* C 30 10.147 -2.351 -2.710 318 H2* C 30 H2* C 30 11.876 -1.427 -1.351 319 2HO* C 30 2HO* C 30 12.878 0.530 -1.901 320 H1* C 30 H1* C 30 10.688 1.072 -1.126 321 1H4 C 30 1H4 C 30 9.156 -2.378 4.085 322 2H4 C 30 2H4 C 30 7.566 -2.598 3.396 323 H5 C 30 H5 C 30 6.989 -1.905 1.123 324 H6 C 30 H6 C 30 7.834 -0.881 -0.889 325 1H5* C 31 1H5* C 31 14.066 -1.398 -3.348 326 2H5* C 31 2H5* C 31 14.979 -2.772 -4.027 327 H4* C 31 H4* C 31 16.082 -1.926 -2.020 328 H3* C 31 H3* C 31 14.726 -4.604 -1.652 329 H2* C 31 H2* C 31 15.657 -4.708 0.552 330 2HO* C 31 2HO* C 31 17.114 -3.024 1.232 331 H1* C 31 H1* C 31 15.048 -2.092 1.146 332 1H4 C 31 1H4 C 31 10.085 -5.547 3.198 333 2H4 C 31 2H4 C 31 9.303 -5.347 1.646 334 H5 C 31 H5 C 31 10.403 -4.277 -0.270 335 H6 C 31 H6 C 31 12.441 -3.221 -1.015 336 1H5* U 32 1H5* U 32 18.017 -5.565 0.234 337 2H5* U 32 2H5* U 32 18.896 -6.740 -0.774 338 H4* U 32 H4* U 32 18.887 -7.701 1.360 339 H3* U 32 H3* U 32 16.550 -8.846 -0.174 340 H2* U 32 H2* U 32 16.137 -10.281 1.676 341 2HO* U 32 2HO* U 32 18.549 -9.221 2.790 342 H1* U 32 H1* U 32 16.403 -8.342 3.535 343 H3 U 32 H3 U 32 12.000 -9.253 3.220 344 H5 U 32 H5 U 32 12.728 -6.563 0.082 345 H6 U 32 H6 U 32 15.121 -6.781 0.543 346 1H5* C 33 1H5* C 33 18.765 -12.001 1.658 347 2H5* C 33 2H5* C 33 18.730 -13.478 0.661 348 H4* C 33 H4* C 33 17.911 -13.825 2.997 349 H3* C 33 H3* C 33 15.848 -14.187 0.808 350 H2* C 33 H2* C 33 14.385 -15.023 2.498 351 2HO* C 33 2HO* C 33 15.167 -15.332 4.643 352 H1* C 33 H1* C 33 15.052 -13.055 4.314 353 1H4 C 33 1H4 C 33 9.822 -10.972 1.306 354 2H4 C 33 2H4 C 33 10.803 -10.320 0.010 355 H5 C 33 H5 C 33 13.239 -10.660 -0.123 356 H6 C 33 H6 C 33 15.135 -11.695 0.960 357 1H5* C 34 1H5* C 34 15.851 -17.612 3.436 358 2H5* C 34 2H5* C 34 15.521 -19.068 2.470 359 H4* C 34 H4* C 34 13.976 -18.711 4.431 360 H3* C 34 H3* C 34 12.763 -18.759 1.656 361 H2* C 34 H2* C 34 10.609 -18.707 2.688 362 2HO* C 34 2HO* C 34 10.409 -18.971 4.953 363 H1* C 34 H1* C 34 11.366 -16.848 4.626 364 1H4 C 34 1H4 C 34 8.524 -13.538 -0.038 365 2H4 C 34 2H4 C 34 10.050 -13.401 -0.885 366 H5 C 34 H5 C 34 12.097 -14.551 -0.147 367 H6 C 34 H6 C 34 13.024 -16.022 1.531 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -3.258 -10.550 0.646 2 2H5* G 1 2H5* G 1 -1.858 -10.772 -0.403 3 H4* G 1 H4* G 1 -3.029 -12.887 1.418 4 H3* G 1 H3* G 1 -0.574 -11.143 1.730 5 H2* G 1 H2* G 1 0.464 -12.946 2.902 6 2HO* G 1 2HO* G 1 -0.701 -14.745 3.557 7 H1* G 1 H1* G 1 -0.353 -14.850 1.118 8 H8 G 1 H8 G 1 0.418 -11.804 -0.930 9 H1 G 1 H1 G 1 5.695 -14.830 1.046 10 1H2 G 1 1H2 G 1 5.184 -16.333 2.582 11 2H2 G 1 2H2 G 1 3.539 -16.602 3.113 12 1H5* G 2 1H5* G 2 -1.258 -12.686 5.745 13 2H5* G 2 2H5* G 2 -0.731 -11.429 6.898 14 H4* G 2 H4* G 2 0.433 -13.710 7.037 15 H3* G 2 H3* G 2 2.088 -11.204 6.628 16 H2* G 2 H2* G 2 4.035 -12.563 6.898 17 2HO* G 2 2HO* G 2 3.829 -14.743 7.586 18 H1* G 2 H1* G 2 2.996 -14.674 5.399 19 H8 G 2 H8 G 2 2.030 -11.792 3.326 20 H1 G 2 H1 G 2 8.365 -12.648 3.237 21 1H2 G 2 1H2 G 2 8.978 -14.030 4.850 22 2H2 G 2 2H2 G 2 7.823 -14.747 5.952 23 1H5* A 3 1H5* A 3 3.809 -12.988 10.429 24 2H5* A 3 2H5* A 3 3.913 -11.550 11.481 25 H4* A 3 H4* A 3 6.043 -12.771 11.437 26 H3* A 3 H3* A 3 6.125 -10.118 9.977 27 H2* A 3 H2* A 3 8.510 -10.433 9.781 28 2HO* A 3 2HO* A 3 9.490 -12.248 10.772 29 H1* A 3 H1* A 3 8.241 -13.007 8.898 30 H8 A 3 H8 A 3 5.240 -11.213 7.529 31 1H6 A 3 1H6 A 3 8.930 -8.973 3.099 32 2H6 A 3 2H6 A 3 7.274 -9.165 3.630 33 H2 A 3 H2 A 3 11.486 -10.903 6.244 34 1H5* G 4 1H5* G 4 9.240 -9.864 12.763 35 2H5* G 4 2H5* G 4 9.306 -8.258 13.532 36 H4* G 4 H4* G 4 11.472 -8.911 12.538 37 H3* G 4 H3* G 4 10.080 -6.612 11.141 38 H2* G 4 H2* G 4 12.065 -6.352 9.814 39 2HO* G 4 2HO* G 4 13.623 -6.833 11.462 40 H1* G 4 H1* G 4 12.257 -9.029 9.283 41 H8 G 4 H8 G 4 8.578 -8.421 9.439 42 H1 G 4 H1 G 4 11.213 -6.114 4.096 43 1H2 G 4 1H2 G 4 13.415 -6.097 4.274 44 2H2 G 4 2H2 G 4 14.236 -6.671 5.707 45 1H5* G 5 1H5* G 5 14.018 -4.747 12.077 46 2H5* G 5 2H5* G 5 13.570 -3.111 12.628 47 H4* G 5 H4* G 5 15.227 -3.199 10.719 48 H3* G 5 H3* G 5 12.584 -1.789 10.265 49 H2* G 5 H2* G 5 13.414 -1.091 8.124 50 2HO* G 5 2HO* G 5 15.592 -1.537 7.550 51 H1* G 5 H1* G 5 14.415 -3.570 7.496 52 H8 G 5 H8 G 5 11.315 -4.450 9.350 53 H1 G 5 H1 G 5 10.013 -1.979 3.596 54 1H2 G 5 1H2 G 5 11.826 -1.052 2.726 55 2H2 G 5 2H2 G 5 13.356 -1.036 3.573 56 1H5* A 6 1H5* A 6 15.939 1.080 9.244 57 2H5* A 6 2H5* A 6 15.299 2.709 9.594 58 H4* A 6 H4* A 6 16.181 2.180 7.200 59 H3* A 6 H3* A 6 13.465 3.440 7.672 60 H2* A 6 H2* A 6 13.260 3.673 5.302 61 2HO* A 6 2HO* A 6 15.018 3.265 3.936 62 H1* A 6 H1* A 6 14.235 1.163 4.768 63 H8 A 6 H8 A 6 12.082 0.804 7.833 64 1H6 A 6 1H6 A 6 7.195 0.730 4.056 65 2H6 A 6 2H6 A 6 7.752 0.456 5.689 66 H2 A 6 H2 A 6 10.791 1.962 1.672 67 1H5* C 7 1H5* C 7 15.409 5.672 4.662 68 2H5* C 7 2H5* C 7 14.978 7.396 4.788 69 H4* C 7 H4* C 7 14.423 6.272 2.581 70 H3* C 7 H3* C 7 12.165 7.487 4.178 71 H2* C 7 H2* C 7 10.733 7.069 2.293 72 2HO* C 7 2HO* C 7 12.255 7.621 0.632 73 H1* C 7 H1* C 7 11.769 4.533 1.873 74 1H4 C 7 1H4 C 7 6.601 3.824 5.564 75 2H4 C 7 2H4 C 7 7.610 3.937 6.989 76 H5 C 7 H5 C 7 10.004 4.488 6.889 77 H6 C 7 H6 C 7 11.829 5.023 5.398 78 1H5* A 8 1H5* A 8 10.390 11.547 1.363 79 2H5* A 8 2H5* A 8 9.576 10.512 2.569 80 H4* A 8 H4* A 8 9.536 10.306 -0.444 81 H3* A 8 H3* A 8 7.462 10.735 1.690 82 H2* A 8 H2* A 8 5.869 9.322 0.612 83 2HO* A 8 2HO* A 8 7.755 9.157 -1.536 84 H1* A 8 H1* A 8 7.514 7.288 0.145 85 H8 A 8 H8 A 8 9.377 8.146 3.081 86 1H6 A 8 1H6 A 8 4.584 6.655 6.696 87 2H6 A 8 2H6 A 8 6.301 6.985 6.652 88 H2 A 8 H2 A 8 3.105 7.064 2.493 89 1H5* U 9 1H5* U 9 5.310 10.854 -1.113 90 2H5* U 9 2H5* U 9 4.465 12.341 -1.627 91 H4* U 9 H4* U 9 2.922 10.457 -1.503 92 H3* U 9 H3* U 9 2.522 12.808 0.209 93 H2* U 9 H2* U 9 1.430 11.721 1.948 94 2HO* U 9 2HO* U 9 -0.215 10.273 1.595 95 H1* U 9 H1* U 9 1.850 9.009 1.329 96 H3 U 9 H3 U 9 2.260 9.988 5.865 97 H5 U 9 H5 U 9 6.028 10.627 4.109 98 H6 U 9 H6 U 9 4.982 10.397 1.946 99 1H5* U 10 1H5* U 10 -2.333 11.676 0.391 100 2H5* U 10 2H5* U 10 -2.551 13.008 -0.774 101 H4* U 10 H4* U 10 -3.729 13.078 1.591 102 H3* U 10 H3* U 10 -3.185 15.130 -0.184 103 H2* U 10 H2* U 10 -1.011 15.558 0.743 104 2HO* U 10 2HO* U 10 -2.238 17.529 0.821 105 H1* U 10 H1* U 10 -2.258 15.349 3.491 106 H3 U 10 H3 U 10 1.589 15.858 5.768 107 H5 U 10 H5 U 10 2.858 14.065 2.175 108 H6 U 10 H6 U 10 0.565 14.081 1.435 109 1H5* C 11 1H5* C 11 -7.583 15.862 2.979 110 2H5* C 11 2H5* C 11 -6.070 15.010 3.393 111 H4* C 11 H4* C 11 -8.715 13.710 2.687 112 H3* C 11 H3* C 11 -8.073 14.733 5.194 113 H2* C 11 H2* C 11 -6.184 13.330 5.498 114 2HO* C 11 2HO* C 11 -6.888 11.458 6.728 115 H1* C 11 H1* C 11 -7.749 11.074 4.241 116 1H4 C 11 1H4 C 11 -2.121 8.111 4.628 117 2H4 C 11 2H4 C 11 -1.271 9.531 4.067 118 H5 C 11 H5 C 11 -2.408 11.654 3.585 119 H6 C 11 H6 C 11 -4.542 12.782 3.545 120 1H5* C 12 1H5* C 12 -11.583 11.471 4.127 121 2H5* C 12 2H5* C 12 -12.735 12.615 3.380 122 H4* C 12 H4* C 12 -14.184 10.988 4.127 123 H3* C 12 H3* C 12 -14.498 13.254 5.591 124 H2* C 12 H2* C 12 -12.911 12.646 7.287 125 2HO* C 12 2HO* C 12 -14.163 11.868 9.116 126 H1* C 12 H1* C 12 -14.113 9.871 7.447 127 1H4 C 12 1H4 C 12 -8.827 8.946 10.885 128 2H4 C 12 2H4 C 12 -7.829 9.613 9.614 129 H5 C 12 H5 C 12 -8.759 10.569 7.552 130 H6 C 12 H6 C 12 -10.806 11.041 6.354 131 1H5* U 13 1H5* U 13 -17.079 8.379 4.456 132 2H5* U 13 2H5* U 13 -15.735 9.392 5.040 133 H4* U 13 H4* U 13 -15.701 10.195 2.543 134 H3* U 13 H3* U 13 -17.658 8.541 1.931 135 H2* U 13 H2* U 13 -16.743 6.748 3.307 136 2HO* U 13 2HO* U 13 -15.960 6.139 0.638 137 H1* U 13 H1* U 13 -14.161 6.980 1.757 138 H3 U 13 H3 U 13 -12.813 3.469 4.421 139 H5 U 13 H5 U 13 -13.857 6.563 7.095 140 H6 U 13 H6 U 13 -14.695 7.795 5.238 141 1H5* C 14 1H5* C 14 -13.444 12.147 0.097 142 2H5* C 14 2H5* C 14 -13.695 11.278 -1.439 143 H4* C 14 H4* C 14 -11.317 11.529 -1.084 144 H3* C 14 H3* C 14 -12.169 8.689 -0.429 145 H2* C 14 H2* C 14 -9.857 8.171 -0.162 146 2HO* C 14 2HO* C 14 -8.246 9.608 -0.886 147 H1* C 14 H1* C 14 -9.241 10.662 1.002 148 1H4 C 14 1H4 C 14 -9.460 6.379 5.726 149 2H4 C 14 2H4 C 14 -11.163 6.706 5.922 150 H5 C 14 H5 C 14 -12.413 8.162 4.406 151 H6 C 14 H6 C 14 -12.278 9.539 2.432 152 1H5* A 15 1H5* A 15 -8.689 8.384 -3.298 153 2H5* A 15 2H5* A 15 -9.110 6.958 -4.276 154 H4* A 15 H4* A 15 -6.850 6.997 -2.960 155 H3* A 15 H3* A 15 -8.769 4.663 -2.907 156 H2* A 15 H2* A 15 -7.245 3.455 -1.489 157 2HO* A 15 2HO* A 15 -5.461 5.673 -1.895 158 H1* A 15 H1* A 15 -6.805 5.552 0.190 159 H8 A 15 H8 A 15 -10.241 5.460 -1.397 160 1H6 A 15 1H6 A 15 -11.897 2.170 3.653 161 2H6 A 15 2H6 A 15 -12.515 2.947 2.208 162 H2 A 15 H2 A 15 -7.459 2.849 3.674 163 1H5* C 16 1H5* C 16 -5.165 2.819 -3.794 164 2H5* C 16 2H5* C 16 -5.362 1.505 -4.984 165 H4* C 16 H4* C 16 -4.413 0.783 -2.772 166 H3* C 16 H3* C 16 -7.088 -0.381 -3.586 167 H2* C 16 H2* C 16 -6.947 -1.807 -1.671 168 2HO* C 16 2HO* C 16 -5.026 -1.970 -0.483 169 H1* C 16 H1* C 16 -5.943 0.200 -0.026 170 1H4 C 16 1H4 C 16 -12.204 -0.067 1.132 171 2H4 C 16 2H4 C 16 -12.502 1.071 -0.167 172 H5 C 16 H5 C 16 -10.732 1.859 -1.680 173 H6 C 16 H6 C 16 -8.374 1.697 -2.202 174 1H5* G 17 1H5* G 17 -3.983 -3.380 -2.767 175 2H5* G 17 2H5* G 17 -4.120 -4.770 -3.873 176 H4* G 17 H4* G 17 -3.850 -5.453 -1.508 177 H3* G 17 H3* G 17 -6.523 -6.101 -2.773 178 H2* G 17 H2* G 17 -7.112 -7.286 -0.764 179 2HO* G 17 2HO* G 17 -5.514 -7.437 0.933 180 H1* G 17 H1* G 17 -6.239 -5.290 0.890 181 H8 G 17 H8 G 17 -7.579 -3.575 -2.186 182 H1 G 17 H1 G 17 -12.192 -5.569 1.758 183 1H2 G 17 1H2 G 17 -11.361 -6.911 3.306 184 2H2 G 17 2H2 G 17 -9.658 -7.311 3.371 185 1H5* G 18 1H5* G 18 -5.266 -9.567 -0.980 186 2H5* G 18 2H5* G 18 -5.518 -10.999 -2.010 187 H4* G 18 H4* G 18 -6.555 -11.225 0.235 188 H3* G 18 H3* G 18 -8.469 -11.086 -2.103 189 H2* G 18 H2* G 18 -10.250 -11.556 -0.577 190 2HO* G 18 2HO* G 18 -9.177 -13.159 0.689 191 H1* G 18 H1* G 18 -9.239 -9.882 1.411 192 H8 G 18 H8 G 18 -8.858 -8.248 -1.998 193 H1 G 18 H1 G 18 -14.721 -7.620 0.494 194 1H2 G 18 1H2 G 18 -14.945 -8.909 2.278 195 2H2 G 18 2H2 G 18 -13.648 -9.931 2.855 196 1H5* G 19 1H5* G 19 -10.746 -15.173 -3.481 197 2H5* G 19 2H5* G 19 -10.965 -13.423 -3.761 198 H4* G 19 H4* G 19 -12.192 -14.948 -1.447 199 H3* G 19 H3* G 19 -13.388 -14.184 -4.118 200 H2* G 19 H2* G 19 -15.499 -13.884 -3.012 201 2HO* G 19 2HO* G 19 -15.779 -14.522 -0.862 202 H1* G 19 H1* G 19 -14.405 -12.514 -0.889 203 H8 G 19 H8 G 19 -12.990 -12.055 -4.484 204 H1 G 19 H1 G 19 -17.269 -7.671 -2.640 205 1H2 G 19 1H2 G 19 -18.079 -8.184 -0.657 206 2H2 G 19 2H2 G 19 -17.568 -9.607 0.222 207 1H5* U 20 1H5* U 20 -14.753 -14.195 -6.663 208 2H5* U 20 2H5* U 20 -15.544 -14.266 -5.068 209 H4* U 20 H4* U 20 -16.452 -15.455 -7.694 210 H3* U 20 H3* U 20 -17.763 -13.726 -5.576 211 H2* U 20 H2* U 20 -19.878 -14.570 -6.240 212 2HO* U 20 2HO* U 20 -18.484 -15.578 -8.537 213 H1* U 20 H1* U 20 -18.927 -17.169 -6.742 214 H3 U 20 H3 U 20 -21.331 -18.368 -3.177 215 H5 U 20 H5 U 20 -18.918 -15.286 -1.646 216 H6 U 20 H6 U 20 -18.005 -14.978 -3.884 217 1H5* G 21 1H5* G 21 -19.174 -9.545 -5.511 218 2H5* G 21 2H5* G 21 -18.224 -10.692 -4.527 219 H4* G 21 H4* G 21 -21.215 -10.860 -5.006 220 H3* G 21 H3* G 21 -19.645 -9.812 -2.642 221 H2* G 21 H2* G 21 -21.318 -10.680 -1.187 222 2HO* G 21 2HO* G 21 -23.193 -10.142 -2.357 223 H1* G 21 H1* G 21 -21.597 -13.054 -2.513 224 H8 G 21 H8 G 21 -17.975 -11.821 -2.380 225 H1 G 21 H1 G 21 -19.769 -15.297 2.672 226 1H2 G 21 1H2 G 21 -21.947 -15.690 2.598 227 2H2 G 21 2H2 G 21 -22.956 -15.090 1.304 228 1H5* A 22 1H5* A 22 -23.657 -7.864 -2.097 229 2H5* A 22 2H5* A 22 -23.471 -6.601 -0.849 230 H4* A 22 H4* A 22 -24.859 -8.714 -0.274 231 H3* A 22 H3* A 22 -22.598 -7.783 1.497 232 H2* A 22 H2* A 22 -23.233 -9.489 3.065 233 2HO* A 22 2HO* A 22 -25.506 -9.420 2.848 234 H1* A 22 H1* A 22 -23.408 -11.393 1.127 235 H8 A 22 H8 A 22 -20.608 -9.194 -0.008 236 1H6 A 22 1H6 A 22 -16.965 -12.146 4.012 237 2H6 A 22 2H6 A 22 -17.008 -11.030 2.668 238 H2 A 22 H2 A 22 -21.206 -13.298 4.840 239 1H5* C 23 1H5* C 23 -21.769 -4.738 2.987 240 2H5* C 23 2H5* C 23 -22.332 -6.070 1.964 241 H4* C 23 H4* C 23 -22.084 -7.197 4.505 242 H3* C 23 H3* C 23 -19.855 -5.229 4.024 243 H2* C 23 H2* C 23 -18.226 -6.819 4.735 244 2HO* C 23 2HO* C 23 -20.476 -8.434 5.466 245 H1* C 23 H1* C 23 -19.202 -8.882 3.290 246 1H4 C 23 1H4 C 23 -15.286 -5.671 -0.643 247 2H4 C 23 2H4 C 23 -16.658 -4.786 -1.266 248 H5 C 23 H5 C 23 -18.911 -4.976 -0.320 249 H6 C 23 H6 C 23 -20.253 -6.053 1.376 250 1H5* C 24 1H5* C 24 -18.941 -6.895 7.729 251 2H5* C 24 2H5* C 24 -18.252 -5.686 8.845 252 H4* C 24 H4* C 24 -16.743 -7.638 8.351 253 H3* C 24 H3* C 24 -15.778 -4.900 7.489 254 H2* C 24 H2* C 24 -13.675 -5.937 6.972 255 2HO* C 24 2HO* C 24 -13.336 -8.145 7.500 256 H1* C 24 H1* C 24 -14.861 -8.100 5.727 257 1H4 C 24 1H4 C 24 -13.608 -3.834 1.132 258 2H4 C 24 2H4 C 24 -15.149 -3.062 1.421 259 H5 C 24 H5 C 24 -16.645 -3.714 3.248 260 H6 C 24 H6 C 24 -16.926 -5.212 5.114 261 1H5* G 25 1H5* G 25 -12.842 -6.681 9.823 262 2H5* G 25 2H5* G 25 -11.943 -5.534 10.848 263 H4* G 25 H4* G 25 -10.507 -6.914 9.322 264 H3* G 25 H3* G 25 -10.508 -3.914 8.925 265 H2* G 25 H2* G 25 -8.788 -4.199 7.286 266 2HO* G 25 2HO* G 25 -7.790 -6.212 6.988 267 H1* G 25 H1* G 25 -10.010 -6.336 6.068 268 H8 G 25 H8 G 25 -12.893 -4.162 6.988 269 H1 G 25 H1 G 25 -9.491 -1.704 2.146 270 1H2 G 25 1H2 G 25 -7.559 -2.771 1.961 271 2H2 G 25 2H2 G 25 -7.114 -4.092 3.019 272 1H5* U 26 1H5* U 26 -6.549 -4.773 9.021 273 2H5* U 26 2H5* U 26 -5.605 -3.550 9.912 274 H4* U 26 H4* U 26 -5.002 -3.863 7.460 275 H3* U 26 H3* U 26 -5.869 -1.143 8.462 276 H2* U 26 H2* U 26 -5.453 -0.245 6.295 277 2HO* U 26 2HO* U 26 -4.275 -1.403 4.753 278 H1* U 26 H1* U 26 -6.410 -2.492 4.925 279 H3 U 26 H3 U 26 -9.056 1.183 4.058 280 H5 U 26 H5 U 26 -10.669 -0.627 7.497 281 H6 U 26 H6 U 26 -8.702 -2.036 7.596 282 1H5* G 27 1H5* G 27 -2.110 -1.193 6.378 283 2H5* G 27 2H5* G 27 -0.924 0.020 6.925 284 H4* G 27 H4* G 27 -1.757 -0.146 4.395 285 H3* G 27 H3* G 27 -0.307 1.791 5.729 286 H2* G 27 H2* G 27 -2.157 3.087 6.399 287 2HO* G 27 2HO* G 27 -0.843 4.407 4.973 288 H1* G 27 H1* G 27 -3.505 2.651 3.734 289 H8 G 27 H8 G 27 -4.611 1.764 7.295 290 H1 G 27 H1 G 27 -7.929 6.479 4.550 291 1H2 G 27 1H2 G 27 -7.018 7.033 2.611 292 2H2 G 27 2H2 G 27 -5.597 6.223 1.991 293 1H5* G 28 1H5* G 28 -1.618 3.443 0.876 294 2H5* G 28 2H5* G 28 -2.135 2.078 -0.146 295 H4* G 28 H4* G 28 -0.986 3.258 -1.713 296 H3* G 28 H3* G 28 1.058 1.563 -0.313 297 H2* G 28 H2* G 28 2.892 2.689 -1.294 298 2HO* G 28 2HO* G 28 2.555 4.219 -2.977 299 H1* G 28 H1* G 28 2.014 5.184 -0.956 300 H8 G 28 H8 G 28 0.515 3.431 2.013 301 H1 G 28 H1 G 28 6.774 4.505 2.702 302 1H2 G 28 1H2 G 28 7.666 5.132 0.783 303 2H2 G 28 2H2 G 28 6.719 5.295 -0.680 304 1H5* U 29 1H5* U 29 2.302 1.299 -4.364 305 2H5* U 29 2H5* U 29 2.816 -0.364 -4.761 306 H4* U 29 H4* U 29 4.596 1.348 -5.118 307 H3* U 29 H3* U 29 5.113 -0.696 -2.946 308 H2* U 29 H2* U 29 7.295 0.212 -2.739 309 2HO* U 29 2HO* U 29 8.117 1.662 -4.285 310 H1* U 29 H1* U 29 6.457 2.851 -3.104 311 H3 U 29 H3 U 29 8.146 2.221 1.194 312 H5 U 29 H5 U 29 4.109 1.024 1.345 313 H6 U 29 H6 U 29 4.028 1.215 -1.055 314 1H5* C 30 1H5* C 30 8.549 -0.665 -5.474 315 2H5* C 30 2H5* C 30 9.355 -2.255 -5.423 316 H4* C 30 H4* C 30 10.616 -0.144 -4.535 317 H3* C 30 H3* C 30 10.434 -2.735 -2.990 318 H2* C 30 H2* C 30 11.837 -1.784 -1.312 319 2HO* C 30 2HO* C 30 12.907 0.197 -1.675 320 H1* C 30 H1* C 30 10.625 0.714 -1.390 321 1H4 C 30 1H4 C 30 8.032 -2.642 3.444 322 2H4 C 30 2H4 C 30 6.634 -2.912 2.432 323 H5 C 30 H5 C 30 6.552 -2.275 0.069 324 H6 C 30 H6 C 30 7.799 -1.278 -1.738 325 1H5* C 31 1H5* C 31 14.386 -1.840 -2.667 326 2H5* C 31 2H5* C 31 15.387 -3.213 -3.210 327 H4* C 31 H4* C 31 16.110 -2.526 -1.002 328 H3* C 31 H3* C 31 14.511 -5.094 -0.961 329 H2* C 31 H2* C 31 15.014 -5.287 1.374 330 2HO* C 31 2HO* C 31 16.418 -3.692 2.340 331 H1* C 31 H1* C 31 14.466 -2.646 1.898 332 1H4 C 31 1H4 C 31 8.982 -5.768 2.856 333 2H4 C 31 2H4 C 31 8.545 -5.523 1.180 334 H5 C 31 H5 C 31 10.075 -4.529 -0.462 335 H6 C 31 H6 C 31 12.281 -3.599 -0.768 336 1H5* U 32 1H5* U 32 17.357 -6.366 1.478 337 2H5* U 32 2H5* U 32 18.299 -7.580 0.578 338 H4* U 32 H4* U 32 17.866 -8.601 2.638 339 H3* U 32 H3* U 32 15.725 -9.501 0.704 340 H2* U 32 H2* U 32 14.912 -10.950 2.403 341 2HO* U 32 2HO* U 32 17.214 -10.139 3.895 342 H1* U 32 H1* U 32 15.020 -9.101 4.359 343 H3 U 32 H3 U 32 10.686 -9.705 3.274 344 H5 U 32 H5 U 32 12.066 -6.882 0.501 345 H6 U 32 H6 U 32 14.343 -7.295 1.314 346 1H5* C 33 1H5* C 33 17.345 -12.916 2.751 347 2H5* C 33 2H5* C 33 17.246 -14.365 1.720 348 H4* C 33 H4* C 33 16.068 -14.553 3.943 349 H3* C 33 H3* C 33 14.360 -14.793 1.452 350 H2* C 33 H2* C 33 12.570 -15.436 2.896 351 2HO* C 33 2HO* C 33 14.486 -15.380 5.017 352 H1* C 33 H1* C 33 13.109 -13.471 4.751 353 1H4 C 33 1H4 C 33 8.694 -11.045 0.829 354 2H4 C 33 2H4 C 33 9.943 -10.509 -0.273 355 H5 C 33 H5 C 33 12.326 -11.053 0.038 356 H6 C 33 H6 C 33 13.899 -12.216 1.455 357 1H5* C 34 1H5* C 34 13.561 -18.099 4.099 358 2H5* C 34 2H5* C 34 13.270 -19.550 3.112 359 H4* C 34 H4* C 34 11.443 -18.985 4.758 360 H3* C 34 H3* C 34 10.744 -19.029 1.812 361 H2* C 34 H2* C 34 8.454 -18.747 2.437 362 2HO* C 34 2HO* C 34 8.638 -20.228 4.303 363 H1* C 34 H1* C 34 9.025 -16.887 4.437 364 1H4 C 34 1H4 C 34 7.397 -13.543 -0.762 365 2H4 C 34 2H4 C 34 9.065 -13.545 -1.292 366 H5 C 34 H5 C 34 10.832 -14.817 -0.144 367 H6 C 34 H6 C 34 11.296 -16.295 1.709 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -0.480 -12.429 0.737 2 2H5* G 1 2H5* G 1 0.962 -12.377 -0.273 3 H4* G 1 H4* G 1 0.251 -14.614 1.637 4 H3* G 1 H3* G 1 2.260 -12.365 1.898 5 H2* G 1 H2* G 1 3.599 -13.846 3.207 6 2HO* G 1 2HO* G 1 2.804 -15.807 3.943 7 H1* G 1 H1* G 1 3.229 -15.984 1.524 8 H8 G 1 H8 G 1 3.542 -12.937 -0.653 9 H1 G 1 H1 G 1 9.170 -14.899 1.658 10 1H2 G 1 1H2 G 1 8.862 -16.408 3.243 11 2H2 G 1 2H2 G 1 7.267 -16.943 3.724 12 1H5* G 2 1H5* G 2 1.704 -13.877 5.958 13 2H5* G 2 2H5* G 2 1.930 -12.508 7.082 14 H4* G 2 H4* G 2 3.483 -14.524 7.372 15 H3* G 2 H3* G 2 4.672 -11.773 6.924 16 H2* G 2 H2* G 2 6.818 -12.741 7.334 17 2HO* G 2 2HO* G 2 5.371 -15.078 8.137 18 H1* G 2 H1* G 2 6.259 -15.057 5.886 19 H8 G 2 H8 G 2 4.883 -12.431 3.685 20 H1 G 2 H1 G 2 11.272 -12.229 3.805 21 1H2 G 2 1H2 G 2 12.050 -13.439 5.484 22 2H2 G 2 2H2 G 2 10.994 -14.313 6.571 23 1H5* A 3 1H5* A 3 6.499 -13.167 10.721 24 2H5* A 3 2H5* A 3 6.345 -11.765 11.816 25 H4* A 3 H4* A 3 8.639 -12.605 11.820 26 H3* A 3 H3* A 3 8.344 -9.971 10.356 27 H2* A 3 H2* A 3 10.752 -9.905 10.231 28 2HO* A 3 2HO* A 3 12.000 -11.403 11.329 29 H1* A 3 H1* A 3 10.919 -12.496 9.362 30 H8 A 3 H8 A 3 7.728 -11.162 7.881 31 1H6 A 3 1H6 A 3 11.210 -8.463 3.534 32 2H6 A 3 2H6 A 3 9.578 -8.873 4.017 33 H2 A 3 H2 A 3 13.905 -9.988 6.784 34 1H5* G 4 1H5* G 4 11.290 -9.247 13.244 35 2H5* G 4 2H5* G 4 11.080 -7.654 14.015 36 H4* G 4 H4* G 4 13.354 -7.947 13.108 37 H3* G 4 H3* G 4 11.669 -5.912 11.625 38 H2* G 4 H2* G 4 13.644 -5.344 10.378 39 2HO* G 4 2HO* G 4 14.987 -7.169 12.135 40 H1* G 4 H1* G 4 14.277 -7.958 9.883 41 H8 G 4 H8 G 4 10.539 -7.921 9.910 42 H1 G 4 H1 G 4 12.981 -5.312 4.614 43 1H2 G 4 1H2 G 4 15.147 -4.962 4.862 44 2H2 G 4 2H2 G 4 15.997 -5.385 6.331 45 1H5* G 5 1H5* G 5 15.183 -3.441 12.637 46 2H5* G 5 2H5* G 5 14.465 -1.938 13.272 47 H4* G 5 H4* G 5 16.110 -1.559 11.433 48 H3* G 5 H3* G 5 13.237 -0.798 10.842 49 H2* G 5 H2* G 5 14.009 0.155 8.777 50 2HO* G 5 2HO* G 5 16.224 0.327 8.348 51 H1* G 5 H1* G 5 15.589 -2.008 8.168 52 H8 G 5 H8 G 5 12.629 -3.558 9.840 53 H1 G 5 H1 G 5 11.249 -1.466 3.958 54 1H2 G 5 1H2 G 5 12.889 -0.190 3.189 55 2H2 G 5 2H2 G 5 14.319 0.152 4.134 56 1H5* A 6 1H5* A 6 15.869 2.856 10.205 57 2H5* A 6 2H5* A 6 14.817 4.270 10.489 58 H4* A 6 H4* A 6 16.031 4.040 8.199 59 H3* A 6 H3* A 6 13.051 4.557 8.378 60 H2* A 6 H2* A 6 13.050 4.806 6.000 61 2HO* A 6 2HO* A 6 15.017 4.844 4.844 62 H1* A 6 H1* A 6 14.686 2.637 5.578 63 H8 A 6 H8 A 6 12.350 1.668 8.371 64 1H6 A 6 1H6 A 6 8.096 0.508 4.045 65 2H6 A 6 2H6 A 6 8.515 0.334 5.732 66 H2 A 6 H2 A 6 11.539 2.644 2.101 67 1H5* C 7 1H5* C 7 14.677 7.344 5.641 68 2H5* C 7 2H5* C 7 13.775 8.880 5.704 69 H4* C 7 H4* C 7 13.815 7.721 3.452 70 H3* C 7 H3* C 7 11.122 8.175 4.749 71 H2* C 7 H2* C 7 10.139 7.472 2.663 72 2HO* C 7 2HO* C 7 11.569 6.955 0.898 73 H1* C 7 H1* C 7 11.819 5.306 2.452 74 1H4 C 7 1H4 C 7 6.624 3.296 5.602 75 2H4 C 7 2H4 C 7 7.420 3.647 7.121 76 H5 C 7 H5 C 7 9.598 4.777 7.256 77 H6 C 7 H6 C 7 11.376 5.762 5.955 78 1H5* A 8 1H5* A 8 10.629 9.983 0.921 79 2H5* A 8 2H5* A 8 9.648 11.458 1.132 80 H4* A 8 H4* A 8 8.695 9.747 -0.464 81 H3* A 8 H3* A 8 7.083 10.528 1.973 82 H2* A 8 H2* A 8 5.293 9.153 1.158 83 2HO* A 8 2HO* A 8 5.433 8.193 -0.907 84 H1* A 8 H1* A 8 6.909 7.061 0.502 85 H8 A 8 H8 A 8 8.667 7.967 3.537 86 1H6 A 8 1H6 A 8 3.916 5.887 6.903 87 2H6 A 8 2H6 A 8 5.593 6.382 6.941 88 H2 A 8 H2 A 8 2.556 6.330 2.663 89 1H5* U 9 1H5* U 9 4.768 10.592 -0.867 90 2H5* U 9 2H5* U 9 3.761 11.976 -1.357 91 H4* U 9 H4* U 9 2.510 9.818 -1.112 92 H3* U 9 H3* U 9 1.723 12.334 0.109 93 H2* U 9 H2* U 9 1.258 11.449 2.225 94 2HO* U 9 2HO* U 9 -0.569 9.832 0.782 95 H1* U 9 H1* U 9 1.290 8.608 1.366 96 H3 U 9 H3 U 9 1.190 8.360 5.942 97 H5 U 9 H5 U 9 4.952 9.983 4.968 98 H6 U 9 H6 U 9 4.223 10.158 2.689 99 1H5* U 10 1H5* U 10 -2.415 10.919 0.272 100 2H5* U 10 2H5* U 10 -3.232 11.965 -0.919 101 H4* U 10 H4* U 10 -4.259 12.059 1.356 102 H3* U 10 H3* U 10 -3.951 14.257 -0.228 103 H2* U 10 H2* U 10 -1.770 14.770 0.667 104 2HO* U 10 2HO* U 10 -3.676 16.277 2.127 105 H1* U 10 H1* U 10 -2.936 14.386 3.428 106 H3 U 10 H3 U 10 0.955 15.142 5.580 107 H5 U 10 H5 U 10 2.199 13.468 1.919 108 H6 U 10 H6 U 10 -0.123 13.327 1.280 109 1H5* C 11 1H5* C 11 -7.601 15.454 4.194 110 2H5* C 11 2H5* C 11 -6.055 14.694 3.727 111 H4* C 11 H4* C 11 -8.655 13.771 2.521 112 H3* C 11 H3* C 11 -7.995 13.392 5.339 113 H2* C 11 H2* C 11 -6.750 11.451 4.986 114 2HO* C 11 2HO* C 11 -9.197 10.343 4.082 115 H1* C 11 H1* C 11 -8.058 11.002 2.305 116 1H4 C 11 1H4 C 11 -2.916 7.347 1.421 117 2H4 C 11 2H4 C 11 -1.920 8.401 2.399 118 H5 C 11 H5 C 11 -2.793 10.423 3.488 119 H6 C 11 H6 C 11 -4.762 11.770 3.838 120 1H5* C 12 1H5* C 12 -11.650 11.227 3.721 121 2H5* C 12 2H5* C 12 -12.830 12.567 3.894 122 H4* C 12 H4* C 12 -14.080 10.567 3.693 123 H3* C 12 H3* C 12 -14.553 12.071 5.918 124 H2* C 12 H2* C 12 -13.013 10.889 7.320 125 2HO* C 12 2HO* C 12 -14.300 9.317 8.551 126 H1* C 12 H1* C 12 -14.015 8.242 6.228 127 1H4 C 12 1H4 C 12 -8.856 6.502 9.613 128 2H4 C 12 2H4 C 12 -7.832 7.214 8.389 129 H5 C 12 H5 C 12 -8.719 8.516 6.496 130 H6 C 12 H6 C 12 -10.737 9.341 5.470 131 1H5* U 13 1H5* U 13 -17.736 8.196 2.956 132 2H5* U 13 2H5* U 13 -16.874 8.345 4.509 133 H4* U 13 H4* U 13 -15.510 9.998 2.676 134 H3* U 13 H3* U 13 -16.685 8.128 1.002 135 H2* U 13 H2* U 13 -15.696 6.275 2.148 136 2HO* U 13 2HO* U 13 -14.958 6.361 -0.119 137 H1* U 13 H1* U 13 -13.175 7.946 2.296 138 H3 U 13 H3 U 13 -11.007 5.534 5.603 139 H5 U 13 H5 U 13 -14.461 3.320 4.661 140 H6 U 13 H6 U 13 -15.172 5.095 3.287 141 1H5* C 14 1H5* C 14 -13.079 7.558 -2.995 142 2H5* C 14 2H5* C 14 -13.236 6.956 -1.326 143 H4* C 14 H4* C 14 -11.006 8.783 -2.261 144 H3* C 14 H3* C 14 -11.059 5.771 -1.980 145 H2* C 14 H2* C 14 -8.762 5.852 -1.325 146 2HO* C 14 2HO* C 14 -7.627 7.893 -1.461 147 H1* C 14 H1* C 14 -9.073 8.158 0.230 148 1H4 C 14 1H4 C 14 -9.242 3.262 4.312 149 2H4 C 14 2H4 C 14 -10.967 3.106 4.054 150 H5 C 14 H5 C 14 -12.196 4.417 2.370 151 H6 C 14 H6 C 14 -11.963 6.098 0.659 152 1H5* A 15 1H5* A 15 -7.655 5.902 -3.649 153 2H5* A 15 2H5* A 15 -7.555 4.910 -5.129 154 H4* A 15 H4* A 15 -5.843 4.131 -3.667 155 H3* A 15 H3* A 15 -8.258 2.311 -3.544 156 H2* A 15 H2* A 15 -7.047 0.864 -2.050 157 2HO* A 15 2HO* A 15 -4.964 1.065 -3.059 158 H1* A 15 H1* A 15 -6.145 2.926 -0.491 159 H8 A 15 H8 A 15 -9.563 3.800 -1.848 160 1H6 A 15 1H6 A 15 -11.831 0.669 3.031 161 2H6 A 15 2H6 A 15 -12.254 1.720 1.693 162 H2 A 15 H2 A 15 -7.420 0.005 2.804 163 1H5* C 16 1H5* C 16 -5.052 -0.286 -4.593 164 2H5* C 16 2H5* C 16 -5.582 -1.543 -5.743 165 H4* C 16 H4* C 16 -4.599 -2.459 -3.647 166 H3* C 16 H3* C 16 -7.546 -3.016 -4.078 167 H2* C 16 H2* C 16 -7.413 -4.491 -2.189 168 2HO* C 16 2HO* C 16 -5.377 -4.916 -1.220 169 H1* C 16 H1* C 16 -5.921 -2.692 -0.706 170 1H4 C 16 1H4 C 16 -12.020 -1.741 0.923 171 2H4 C 16 2H4 C 16 -12.194 -0.578 -0.374 172 H5 C 16 H5 C 16 -10.421 -0.140 -2.019 173 H6 C 16 H6 C 16 -8.185 -0.755 -2.711 174 1H5* G 17 1H5* G 17 -5.614 -6.712 -3.542 175 2H5* G 17 2H5* G 17 -6.192 -7.925 -4.713 176 H4* G 17 H4* G 17 -6.276 -8.831 -2.456 177 H3* G 17 H3* G 17 -9.020 -8.157 -3.548 178 H2* G 17 H2* G 17 -9.942 -9.215 -1.593 179 2HO* G 17 2HO* G 17 -8.556 -10.288 -0.124 180 H1* G 17 H1* G 17 -8.189 -7.951 0.108 181 H8 G 17 H8 G 17 -8.982 -5.522 -2.670 182 H1 G 17 H1 G 17 -13.614 -5.938 1.726 183 1H2 G 17 1H2 G 17 -13.243 -7.659 3.068 184 2H2 G 17 2H2 G 17 -11.845 -8.693 2.885 185 1H5* G 18 1H5* G 18 -9.293 -12.037 -2.246 186 2H5* G 18 2H5* G 18 -10.168 -13.079 -3.401 187 H4* G 18 H4* G 18 -11.116 -13.158 -1.107 188 H3* G 18 H3* G 18 -12.889 -11.889 -3.208 189 H2* G 18 H2* G 18 -14.622 -11.803 -1.571 190 2HO* G 18 2HO* G 18 -14.254 -13.932 -0.696 191 H1* G 18 H1* G 18 -12.856 -11.134 0.518 192 H8 G 18 H8 G 18 -12.059 -9.051 -2.533 193 H1 G 18 H1 G 18 -17.076 -6.860 0.792 194 1H2 G 18 1H2 G 18 -17.694 -8.345 2.308 195 2H2 G 18 2H2 G 18 -16.873 -9.878 2.500 196 1H5* G 19 1H5* G 19 -16.427 -14.173 -5.343 197 2H5* G 19 2H5* G 19 -15.865 -12.490 -5.147 198 H4* G 19 H4* G 19 -17.915 -13.893 -3.405 199 H3* G 19 H3* G 19 -18.234 -11.781 -5.554 200 H2* G 19 H2* G 19 -20.147 -10.974 -4.344 201 2HO* G 19 2HO* G 19 -20.882 -12.103 -2.498 202 H1* G 19 H1* G 19 -18.836 -11.024 -1.940 203 H8 G 19 H8 G 19 -16.936 -10.175 -5.227 204 H1 G 19 H1 G 19 -18.888 -5.137 -1.809 205 1H2 G 19 1H2 G 19 -20.068 -5.806 -0.077 206 2H2 G 19 2H2 G 19 -20.373 -7.496 0.250 207 1H5* U 20 1H5* U 20 -19.784 -10.929 -8.150 208 2H5* U 20 2H5* U 20 -20.190 -11.466 -6.503 209 H4* U 20 H4* U 20 -22.025 -11.306 -8.905 210 H3* U 20 H3* U 20 -22.045 -9.967 -6.189 211 H2* U 20 H2* U 20 -24.421 -9.848 -6.333 212 2HO* U 20 2HO* U 20 -24.468 -9.121 -8.563 213 H1* U 20 H1* U 20 -24.660 -12.333 -7.660 214 H3 U 20 H3 U 20 -26.387 -14.192 -3.992 215 H5 U 20 H5 U 20 -23.359 -11.742 -2.413 216 H6 U 20 H6 U 20 -22.787 -11.090 -4.676 217 1H5* G 21 1H5* G 21 -22.665 -5.962 -5.289 218 2H5* G 21 2H5* G 21 -22.034 -7.479 -4.589 219 H4* G 21 H4* G 21 -24.875 -6.444 -4.343 220 H3* G 21 H3* G 21 -22.587 -6.513 -2.370 221 H2* G 21 H2* G 21 -24.170 -6.876 -0.618 222 2HO* G 21 2HO* G 21 -25.857 -5.507 -1.293 223 H1* G 21 H1* G 21 -25.581 -8.763 -1.967 224 H8 G 21 H8 G 21 -21.803 -8.808 -2.689 225 H1 G 21 H1 G 21 -23.622 -12.467 2.225 226 1H2 G 21 1H2 G 21 -25.765 -12.148 2.667 227 2H2 G 21 2H2 G 21 -26.749 -11.027 1.755 228 1H5* A 22 1H5* A 22 -25.209 -3.231 -0.928 229 2H5* A 22 2H5* A 22 -24.367 -2.232 0.287 230 H4* A 22 H4* A 22 -26.336 -3.626 1.119 231 H3* A 22 H3* A 22 -23.615 -4.041 2.370 232 H2* A 22 H2* A 22 -24.710 -5.440 3.999 233 2HO* A 22 2HO* A 22 -26.684 -4.154 4.121 234 H1* A 22 H1* A 22 -26.122 -6.787 2.059 235 H8 A 22 H8 A 22 -22.809 -5.949 0.511 236 1H6 A 22 1H6 A 22 -20.379 -10.792 3.434 237 2H6 A 22 2H6 A 22 -20.118 -9.568 2.213 238 H2 A 22 H2 A 22 -24.461 -10.106 5.083 239 1H5* C 23 1H5* C 23 -24.332 -3.588 5.134 240 2H5* C 23 2H5* C 23 -23.306 -2.797 6.354 241 H4* C 23 H4* C 23 -23.019 -5.299 6.127 242 H3* C 23 H3* C 23 -20.619 -3.541 5.585 243 H2* C 23 H2* C 23 -19.314 -5.554 5.497 244 2HO* C 23 2HO* C 23 -20.299 -7.567 6.016 245 H1* C 23 H1* C 23 -21.194 -6.894 3.963 246 1H4 C 23 1H4 C 23 -16.991 -4.345 -0.117 247 2H4 C 23 2H4 C 23 -17.942 -2.877 -0.189 248 H5 C 23 H5 C 23 -19.906 -2.490 1.238 249 H6 C 23 H6 C 23 -21.306 -3.444 2.972 250 1H5* C 24 1H5* C 24 -19.613 -6.276 8.661 251 2H5* C 24 2H5* C 24 -18.462 -5.581 9.835 252 H4* C 24 H4* C 24 -17.671 -7.705 8.785 253 H3* C 24 H3* C 24 -16.064 -5.227 8.112 254 H2* C 24 H2* C 24 -14.467 -6.703 7.101 255 2HO* C 24 2HO* C 24 -14.667 -8.957 7.344 256 H1* C 24 H1* C 24 -16.441 -8.257 5.901 257 1H4 C 24 1H4 C 24 -14.585 -4.086 1.434 258 2H4 C 24 2H4 C 24 -15.589 -2.842 2.143 259 H5 C 24 H5 C 24 -16.835 -3.160 4.234 260 H6 C 24 H6 C 24 -17.335 -4.724 6.005 261 1H5* G 25 1H5* G 25 -13.384 -7.973 9.762 262 2H5* G 25 2H5* G 25 -12.272 -7.196 10.920 263 H4* G 25 H4* G 25 -11.018 -8.489 9.278 264 H3* G 25 H3* G 25 -10.793 -5.499 8.847 265 H2* G 25 H2* G 25 -9.165 -5.964 7.163 266 2HO* G 25 2HO* G 25 -8.396 -8.096 6.858 267 H1* G 25 H1* G 25 -10.616 -8.029 6.057 268 H8 G 25 H8 G 25 -13.095 -5.382 7.075 269 H1 G 25 H1 G 25 -9.930 -3.889 1.706 270 1H2 G 25 1H2 G 25 -8.228 -5.276 1.422 271 2H2 G 25 2H2 G 25 -7.875 -6.571 2.545 272 1H5* U 26 1H5* U 26 -6.756 -6.728 8.922 273 2H5* U 26 2H5* U 26 -5.754 -5.389 9.546 274 H4* U 26 H4* U 26 -5.406 -6.166 7.094 275 H3* U 26 H3* U 26 -5.869 -3.256 7.788 276 H2* U 26 H2* U 26 -5.510 -2.724 5.488 277 2HO* U 26 2HO* U 26 -4.630 -4.230 4.060 278 H1* U 26 H1* U 26 -6.880 -4.967 4.538 279 H3 U 26 H3 U 26 -9.098 -1.105 3.349 280 H5 U 26 H5 U 26 -10.577 -2.162 7.141 281 H6 U 26 H6 U 26 -8.817 -3.821 7.292 282 1H5* G 27 1H5* G 27 -2.386 -3.958 5.428 283 2H5* G 27 2H5* G 27 -1.079 -2.764 5.626 284 H4* G 27 H4* G 27 -2.325 -3.229 3.276 285 H3* G 27 H3* G 27 -0.479 -1.358 3.979 286 H2* G 27 H2* G 27 -2.086 0.125 4.973 287 2HO* G 27 2HO* G 27 -2.412 1.840 3.447 288 H1* G 27 H1* G 27 -3.829 -0.287 2.530 289 H8 G 27 H8 G 27 -4.758 -0.885 6.179 290 H1 G 27 H1 G 27 -7.318 4.407 3.685 291 1H2 G 27 1H2 G 27 -6.457 4.817 1.695 292 2H2 G 27 2H2 G 27 -5.254 3.771 0.969 293 1H5* G 28 1H5* G 28 -1.868 1.619 -0.433 294 2H5* G 28 2H5* G 28 -1.186 0.066 -0.978 295 H4* G 28 H4* G 28 -0.264 2.004 -2.211 296 H3* G 28 H3* G 28 1.641 0.435 -0.482 297 H2* G 28 H2* G 28 3.430 1.847 -1.145 298 2HO* G 28 2HO* G 28 3.120 3.412 -2.789 299 H1* G 28 H1* G 28 2.075 4.165 -0.852 300 H8 G 28 H8 G 28 0.673 2.077 1.914 301 H1 G 28 H1 G 28 6.604 4.114 3.174 302 1H2 G 28 1H2 G 28 7.539 4.949 1.354 303 2H2 G 28 2H2 G 28 6.696 5.011 -0.179 304 1H5* U 29 1H5* U 29 3.451 0.785 -4.368 305 2H5* U 29 2H5* U 29 4.219 -0.754 -4.845 306 H4* U 29 H4* U 29 5.767 1.171 -5.011 307 H3* U 29 H3* U 29 6.423 -0.848 -2.852 308 H2* U 29 H2* U 29 8.446 0.340 -2.480 309 2HO* U 29 2HO* U 29 9.135 1.960 -3.919 310 H1* U 29 H1* U 29 7.273 2.841 -2.769 311 H3 U 29 H3 U 29 8.663 2.218 1.618 312 H5 U 29 H5 U 29 4.865 0.407 1.350 313 H6 U 29 H6 U 29 4.950 0.736 -1.038 314 1H5* C 30 1H5* C 30 9.979 -0.265 -5.168 315 2H5* C 30 2H5* C 30 10.989 -1.734 -5.102 316 H4* C 30 H4* C 30 11.908 0.504 -4.113 317 H3* C 30 H3* C 30 11.995 -2.113 -2.599 318 H2* C 30 H2* C 30 13.197 -0.995 -0.864 319 2HO* C 30 2HO* C 30 14.008 1.105 -1.174 320 H1* C 30 H1* C 30 11.649 1.309 -0.982 321 1H4 C 30 1H4 C 30 9.368 -2.421 3.730 322 2H4 C 30 2H4 C 30 8.069 -2.887 2.659 323 H5 C 30 H5 C 30 7.995 -2.255 0.294 324 H6 C 30 H6 C 30 9.158 -1.072 -1.458 325 1H5* C 31 1H5* C 31 15.794 -0.648 -2.109 326 2H5* C 31 2H5* C 31 16.995 -1.895 -2.537 327 H4* C 31 H4* C 31 17.442 -1.014 -0.303 328 H3* C 31 H3* C 31 16.331 -3.829 -0.313 329 H2* C 31 H2* C 31 16.693 -3.907 2.052 330 2HO* C 31 2HO* C 31 17.790 -2.179 3.095 331 H1* C 31 H1* C 31 15.682 -1.382 2.481 332 1H4 C 31 1H4 C 31 10.770 -5.385 3.261 333 2H4 C 31 2H4 C 31 10.382 -5.245 1.561 334 H5 C 31 H5 C 31 11.800 -4.029 -0.033 335 H6 C 31 H6 C 31 13.831 -2.742 -0.259 336 1H5* U 32 1H5* U 32 19.167 -4.574 2.345 337 2H5* U 32 2H5* U 32 20.365 -5.611 1.532 338 H4* U 32 H4* U 32 19.958 -6.698 3.562 339 H3* U 32 H3* U 32 18.142 -7.934 1.488 340 H2* U 32 H2* U 32 17.452 -9.501 3.134 341 2HO* U 32 2HO* U 32 18.469 -9.550 5.177 342 H1* U 32 H1* U 32 17.108 -7.669 5.076 343 H3 U 32 H3 U 32 12.992 -8.880 3.754 344 H5 U 32 H5 U 32 14.170 -6.029 0.912 345 H6 U 32 H6 U 32 16.410 -6.069 1.900 346 1H5* C 33 1H5* C 33 20.199 -11.007 3.690 347 2H5* C 33 2H5* C 33 20.417 -12.467 2.693 348 H4* C 33 H4* C 33 19.166 -12.831 4.851 349 H3* C 33 H3* C 33 17.662 -13.390 2.282 350 H2* C 33 H2* C 33 15.932 -14.313 3.643 351 2HO* C 33 2HO* C 33 16.239 -14.598 5.881 352 H1* C 33 H1* C 33 16.044 -12.274 5.501 353 1H4 C 33 1H4 C 33 11.436 -10.663 1.391 354 2H4 C 33 2H4 C 33 12.618 -9.956 0.311 355 H5 C 33 H5 C 33 15.046 -10.100 0.706 356 H6 C 33 H6 C 33 16.740 -10.962 2.198 357 1H5* C 34 1H5* C 34 17.355 -16.772 4.969 358 2H5* C 34 2H5* C 34 17.339 -18.262 3.997 359 H4* C 34 H4* C 34 15.393 -17.985 5.582 360 H3* C 34 H3* C 34 14.808 -18.191 2.617 361 H2* C 34 H2* C 34 12.484 -18.280 3.162 362 2HO* C 34 2HO* C 34 12.514 -19.646 4.966 363 H1* C 34 H1* C 34 12.670 -16.323 5.143 364 1H4 C 34 1H4 C 34 10.690 -13.350 -0.153 365 2H4 C 34 2H4 C 34 12.352 -13.118 -0.656 366 H5 C 34 H5 C 34 14.263 -14.090 0.552 367 H6 C 34 H6 C 34 14.900 -15.444 2.448 Start of MODEL 7 1 1H5* G 1 1H5* G 1 -3.922 -10.371 -1.189 2 2H5* G 1 2H5* G 1 -2.446 -10.645 -2.113 3 H4* G 1 H4* G 1 -3.738 -12.652 -0.253 4 H3* G 1 H3* G 1 -1.320 -10.872 0.129 5 H2* G 1 H2* G 1 -0.378 -12.584 1.497 6 2HO* G 1 2HO* G 1 -1.587 -14.322 2.205 7 H1* G 1 H1* G 1 -1.071 -14.613 -0.209 8 H8 G 1 H8 G 1 -0.087 -11.706 -2.374 9 H1 G 1 H1 G 1 4.959 -14.679 0.192 10 1H2 G 1 1H2 G 1 4.299 -16.089 1.764 11 2H2 G 1 2H2 G 1 2.612 -16.304 2.176 12 1H5* G 2 1H5* G 2 -2.253 -12.273 4.070 13 2H5* G 2 2H5* G 2 -1.820 -11.003 5.247 14 H4* G 2 H4* G 2 -0.646 -13.283 5.465 15 H3* G 2 H3* G 2 1.006 -10.756 5.195 16 H2* G 2 H2* G 2 2.932 -12.104 5.641 17 2HO* G 2 2HO* G 2 2.630 -14.331 6.249 18 H1* G 2 H1* G 2 2.024 -14.227 4.063 19 H8 G 2 H8 G 2 1.272 -11.409 1.848 20 H1 G 2 H1 G 2 7.595 -12.152 2.487 21 1H2 G 2 1H2 G 2 8.042 -13.493 4.186 22 2H2 G 2 2H2 G 2 6.782 -14.207 5.168 23 1H5* A 3 1H5* A 3 2.491 -12.748 8.657 24 2H5* A 3 2H5* A 3 2.419 -11.568 9.991 25 H4* A 3 H4* A 3 4.576 -12.647 10.030 26 H3* A 3 H3* A 3 4.771 -9.862 8.867 27 H2* A 3 H2* A 3 7.169 -10.136 8.929 28 2HO* A 3 2HO* A 3 6.596 -12.615 10.261 29 H1* A 3 H1* A 3 7.045 -12.668 7.849 30 H8 A 3 H8 A 3 4.321 -10.716 6.153 31 1H6 A 3 1H6 A 3 8.693 -8.340 2.474 32 2H6 A 3 2H6 A 3 6.972 -8.511 2.737 33 H2 A 3 H2 A 3 10.707 -10.508 5.849 34 1H5* G 4 1H5* G 4 7.639 -10.112 11.688 35 2H5* G 4 2H5* G 4 7.621 -8.732 12.814 36 H4* G 4 H4* G 4 9.869 -9.092 11.958 37 H3* G 4 H3* G 4 8.549 -6.659 10.734 38 H2* G 4 H2* G 4 10.677 -6.151 9.750 39 2HO* G 4 2HO* G 4 12.518 -7.410 10.312 40 H1* G 4 H1* G 4 11.134 -8.789 9.012 41 H8 G 4 H8 G 4 7.480 -8.071 8.456 42 H1 G 4 H1 G 4 11.239 -5.650 3.867 43 1H2 G 4 1H2 G 4 13.361 -5.749 4.486 44 2H2 G 4 2H2 G 4 13.850 -6.423 6.023 45 1H5* G 5 1H5* G 5 12.033 -5.190 12.834 46 2H5* G 5 2H5* G 5 11.708 -3.594 13.561 47 H4* G 5 H4* G 5 13.710 -3.595 12.098 48 H3* G 5 H3* G 5 11.359 -1.964 11.102 49 H2* G 5 H2* G 5 12.746 -1.186 9.329 50 2HO* G 5 2HO* G 5 15.007 -1.699 9.338 51 H1* G 5 H1* G 5 13.924 -3.667 8.885 52 H8 G 5 H8 G 5 10.242 -4.244 9.468 53 H1 G 5 H1 G 5 11.532 -1.990 3.617 54 1H2 G 5 1H2 G 5 13.635 -1.307 3.519 55 2H2 G 5 2H2 G 5 14.718 -1.407 4.887 56 1H5* A 6 1H5* A 6 14.633 0.748 10.940 57 2H5* A 6 2H5* A 6 14.036 2.397 11.267 58 H4* A 6 H4* A 6 15.110 1.927 8.965 59 H3* A 6 H3* A 6 12.356 3.159 9.204 60 H2* A 6 H2* A 6 12.283 3.357 6.847 61 2HO* A 6 2HO* A 6 14.171 3.126 5.586 62 H1* A 6 H1* A 6 13.670 0.960 6.359 63 H8 A 6 H8 A 6 10.874 0.431 8.888 64 1H6 A 6 1H6 A 6 7.116 -0.290 3.974 65 2H6 A 6 2H6 A 6 7.239 -0.445 5.719 66 H2 A 6 H2 A 6 11.074 1.227 2.555 67 1H5* C 7 1H5* C 7 14.429 5.646 6.456 68 2H5* C 7 2H5* C 7 13.804 7.312 6.572 69 H4* C 7 H4* C 7 13.450 6.165 4.342 70 H3* C 7 H3* C 7 11.057 7.139 5.900 71 H2* C 7 H2* C 7 9.627 6.468 4.109 72 2HO* C 7 2HO* C 7 10.607 5.733 2.115 73 H1* C 7 H1* C 7 11.000 4.101 3.600 74 1H4 C 7 1H4 C 7 6.197 2.300 7.338 75 2H4 C 7 2H4 C 7 6.977 2.972 8.756 76 H5 C 7 H5 C 7 9.097 4.229 8.638 77 H6 C 7 H6 C 7 10.804 5.049 7.126 78 1H5* A 8 1H5* A 8 10.804 9.049 2.122 79 2H5* A 8 2H5* A 8 10.398 10.784 2.215 80 H4* A 8 H4* A 8 8.907 9.479 0.690 81 H3* A 8 H3* A 8 7.709 10.857 3.089 82 H2* A 8 H2* A 8 5.536 10.018 2.550 83 2HO* A 8 2HO* A 8 5.249 8.805 0.588 84 H1* A 8 H1* A 8 6.312 7.504 2.053 85 H8 A 8 H8 A 8 8.751 8.034 4.654 86 1H6 A 8 1H6 A 8 4.242 7.995 8.891 87 2H6 A 8 2H6 A 8 5.969 7.892 8.636 88 H2 A 8 H2 A 8 2.384 8.473 4.846 89 1H5* U 9 1H5* U 9 5.141 11.312 0.381 90 2H5* U 9 2H5* U 9 4.536 12.929 -0.048 91 H4* U 9 H4* U 9 2.777 11.178 0.535 92 H3* U 9 H3* U 9 2.852 13.936 1.414 93 H2* U 9 H2* U 9 2.445 13.539 3.711 94 2HO* U 9 2HO* U 9 0.403 12.781 4.232 95 H1* U 9 H1* U 9 1.693 10.730 3.515 96 H3 U 9 H3 U 9 2.637 11.581 7.918 97 H5 U 9 H5 U 9 6.329 11.508 5.916 98 H6 U 9 H6 U 9 5.129 11.458 3.829 99 1H5* U 10 1H5* U 10 -0.608 11.407 0.103 100 2H5* U 10 2H5* U 10 -1.643 11.347 -1.346 101 H4* U 10 H4* U 10 -3.059 11.969 0.474 102 H3* U 10 H3* U 10 -2.750 13.822 -1.648 103 H2* U 10 H2* U 10 -1.479 15.352 -0.345 104 2HO* U 10 2HO* U 10 -2.857 16.954 0.498 105 H1* U 10 H1* U 10 -3.192 14.609 2.035 106 H3 U 10 H3 U 10 -1.000 17.379 4.845 107 H5 U 10 H5 U 10 2.026 16.080 2.213 108 H6 U 10 H6 U 10 0.367 14.791 1.058 109 1H5* C 11 1H5* C 11 -8.308 14.424 -0.123 110 2H5* C 11 2H5* C 11 -6.705 14.437 0.664 111 H4* C 11 H4* C 11 -8.490 12.014 0.296 112 H3* C 11 H3* C 11 -8.619 13.960 2.393 113 H2* C 11 H2* C 11 -6.692 13.191 3.489 114 2HO* C 11 2HO* C 11 -8.482 11.122 4.235 115 H1* C 11 H1* C 11 -7.250 10.403 2.455 116 1H4 C 11 1H4 C 11 -1.294 9.240 4.391 117 2H4 C 11 2H4 C 11 -0.864 10.932 4.297 118 H5 C 11 H5 C 11 -2.444 12.670 3.575 119 H6 C 11 H6 C 11 -4.693 13.085 2.809 120 1H5* C 12 1H5* C 12 -11.248 10.040 2.495 121 2H5* C 12 2H5* C 12 -12.640 10.415 1.439 122 H4* C 12 H4* C 12 -14.046 9.463 2.885 123 H3* C 12 H3* C 12 -13.689 11.709 4.357 124 H2* C 12 H2* C 12 -11.669 11.000 5.411 125 2HO* C 12 2HO* C 12 -12.221 10.311 7.552 126 H1* C 12 H1* C 12 -12.846 8.269 5.983 127 1H4 C 12 1H4 C 12 -6.727 6.831 6.972 128 2H4 C 12 2H4 C 12 -6.191 8.034 5.823 129 H5 C 12 H5 C 12 -7.745 9.479 4.580 130 H6 C 12 H6 C 12 -10.076 10.007 4.236 131 1H5* U 13 1H5* U 13 -17.871 8.934 2.749 132 2H5* U 13 2H5* U 13 -16.402 8.257 3.483 133 H4* U 13 H4* U 13 -16.071 9.388 0.777 134 H3* U 13 H3* U 13 -18.299 7.953 0.735 135 H2* U 13 H2* U 13 -17.413 6.257 2.244 136 2HO* U 13 2HO* U 13 -18.384 5.281 0.331 137 H1* U 13 H1* U 13 -15.039 5.961 0.405 138 H3 U 13 H3 U 13 -13.967 2.614 3.433 139 H5 U 13 H5 U 13 -13.904 6.230 5.615 140 H6 U 13 H6 U 13 -14.832 7.321 3.708 141 1H5* C 14 1H5* C 14 -14.214 7.644 -2.598 142 2H5* C 14 2H5* C 14 -13.995 7.257 -0.872 143 H4* C 14 H4* C 14 -12.494 9.462 -2.329 144 H3* C 14 H3* C 14 -11.724 6.586 -1.818 145 H2* C 14 H2* C 14 -9.497 7.211 -1.289 146 2HO* C 14 2HO* C 14 -8.707 9.282 -1.796 147 H1* C 14 H1* C 14 -10.145 9.546 0.060 148 1H4 C 14 1H4 C 14 -9.340 5.207 4.661 149 2H4 C 14 2H4 C 14 -10.963 4.616 4.402 150 H5 C 14 H5 C 14 -12.399 5.425 2.602 151 H6 C 14 H6 C 14 -12.539 6.939 0.726 152 1H5* A 15 1H5* A 15 -8.436 7.200 -3.553 153 2H5* A 15 2H5* A 15 -8.332 6.287 -5.081 154 H4* A 15 H4* A 15 -6.413 5.673 -3.834 155 H3* A 15 H3* A 15 -8.568 3.576 -3.589 156 H2* A 15 H2* A 15 -7.186 2.255 -2.150 157 2HO* A 15 2HO* A 15 -4.992 2.851 -1.816 158 H1* A 15 H1* A 15 -6.331 4.359 -0.621 159 H8 A 15 H8 A 15 -9.854 4.549 -1.998 160 1H6 A 15 1H6 A 15 -11.515 2.135 3.548 161 2H6 A 15 2H6 A 15 -12.155 2.798 2.056 162 H2 A 15 H2 A 15 -7.028 2.243 3.156 163 1H5* C 16 1H5* C 16 -5.021 1.510 -4.999 164 2H5* C 16 2H5* C 16 -5.444 0.212 -6.150 165 H4* C 16 H4* C 16 -4.112 -0.595 -4.222 166 H3* C 16 H3* C 16 -6.966 -1.598 -4.371 167 H2* C 16 H2* C 16 -6.448 -3.052 -2.537 168 2HO* C 16 2HO* C 16 -4.307 -3.269 -1.807 169 H1* C 16 H1* C 16 -5.053 -1.094 -1.161 170 1H4 C 16 1H4 C 16 -10.944 -0.880 1.242 171 2H4 C 16 2H4 C 16 -11.475 0.131 -0.085 172 H5 C 16 H5 C 16 -10.035 0.690 -1.992 173 H6 C 16 H6 C 16 -7.840 0.378 -2.955 174 1H5* G 17 1H5* G 17 -4.387 -5.000 -4.314 175 2H5* G 17 2H5* G 17 -4.897 -6.201 -5.529 176 H4* G 17 H4* G 17 -4.559 -7.306 -3.403 177 H3* G 17 H3* G 17 -7.492 -6.972 -4.075 178 H2* G 17 H2* G 17 -8.002 -8.290 -2.132 179 2HO* G 17 2HO* G 17 -6.240 -9.171 -0.896 180 H1* G 17 H1* G 17 -6.264 -6.907 -0.529 181 H8 G 17 H8 G 17 -7.684 -4.470 -3.053 182 H1 G 17 H1 G 17 -11.645 -5.651 1.828 183 1H2 G 17 1H2 G 17 -10.909 -7.364 3.024 184 2H2 G 17 2H2 G 17 -9.430 -8.209 2.622 185 1H5* G 18 1H5* G 18 -6.907 -11.117 -3.408 186 2H5* G 18 2H5* G 18 -7.925 -12.112 -4.484 187 H4* G 18 H4* G 18 -8.287 -12.591 -2.075 188 H3* G 18 H3* G 18 -10.624 -11.302 -3.493 189 H2* G 18 H2* G 18 -11.927 -11.740 -1.512 190 2HO* G 18 2HO* G 18 -11.104 -13.751 -0.851 191 H1* G 18 H1* G 18 -9.943 -10.791 0.141 192 H8 G 18 H8 G 18 -9.911 -8.685 -3.009 193 H1 G 18 H1 G 18 -14.585 -7.089 1.055 194 1H2 G 18 1H2 G 18 -14.754 -8.605 2.657 195 2H2 G 18 2H2 G 18 -13.712 -10.006 2.727 196 1H5* G 19 1H5* G 19 -12.560 -16.563 -2.695 197 2H5* G 19 2H5* G 19 -12.682 -14.946 -3.439 198 H4* G 19 H4* G 19 -13.838 -15.935 -0.830 199 H3* G 19 H3* G 19 -14.977 -14.482 -3.232 200 H2* G 19 H2* G 19 -16.713 -13.639 -1.800 201 2HO* G 19 2HO* G 19 -16.845 -14.352 0.365 202 H1* G 19 H1* G 19 -14.971 -12.913 0.177 203 H8 G 19 H8 G 19 -13.482 -12.574 -3.352 204 H1 G 19 H1 G 19 -16.791 -7.468 -1.379 205 1H2 G 19 1H2 G 19 -17.826 -7.917 0.516 206 2H2 G 19 2H2 G 19 -17.696 -9.470 1.308 207 1H5* U 20 1H5* U 20 -16.864 -13.952 -5.353 208 2H5* U 20 2H5* U 20 -16.949 -14.597 -3.695 209 H4* U 20 H4* U 20 -18.445 -15.800 -6.034 210 H3* U 20 H3* U 20 -19.374 -13.765 -3.991 211 H2* U 20 H2* U 20 -21.530 -14.764 -4.028 212 2HO* U 20 2HO* U 20 -21.547 -15.039 -6.387 213 H1* U 20 H1* U 20 -20.551 -17.381 -4.196 214 H3 U 20 H3 U 20 -22.575 -17.123 -0.134 215 H5 U 20 H5 U 20 -18.916 -15.115 0.391 216 H6 U 20 H6 U 20 -18.543 -15.303 -1.993 217 1H5* G 21 1H5* G 21 -19.889 -9.679 -3.974 218 2H5* G 21 2H5* G 21 -19.266 -11.184 -3.242 219 H4* G 21 H4* G 21 -22.209 -10.534 -3.255 220 H3* G 21 H3* G 21 -20.147 -9.637 -1.234 221 H2* G 21 H2* G 21 -21.775 -9.979 0.487 222 2HO* G 21 2HO* G 21 -23.587 -10.510 -1.661 223 H1* G 21 H1* G 21 -22.527 -12.410 -0.406 224 H8 G 21 H8 G 21 -18.826 -11.812 -1.147 225 H1 G 21 H1 G 21 -19.987 -14.046 4.727 226 1H2 G 21 1H2 G 21 -22.163 -14.054 5.129 227 2H2 G 21 2H2 G 21 -23.330 -13.502 3.950 228 1H5* A 22 1H5* A 22 -23.571 -6.916 -0.564 229 2H5* A 22 2H5* A 22 -23.080 -5.536 0.456 230 H4* A 22 H4* A 22 -24.708 -7.265 1.465 231 H3* A 22 H3* A 22 -22.143 -6.513 2.878 232 H2* A 22 H2* A 22 -22.848 -7.883 4.729 233 2HO* A 22 2HO* A 22 -25.121 -7.383 4.634 234 H1* A 22 H1* A 22 -23.572 -9.967 3.113 235 H8 A 22 H8 A 22 -20.650 -8.667 1.275 236 1H6 A 22 1H6 A 22 -16.992 -11.359 5.454 237 2H6 A 22 2H6 A 22 -17.056 -10.582 3.888 238 H2 A 22 H2 A 22 -21.170 -11.375 7.033 239 1H5* C 23 1H5* C 23 -21.346 -4.293 5.769 240 2H5* C 23 2H5* C 23 -21.398 -5.048 4.162 241 H4* C 23 H4* C 23 -20.882 -6.862 6.438 242 H3* C 23 H3* C 23 -18.882 -4.757 5.597 243 H2* C 23 H2* C 23 -17.134 -6.375 5.831 244 2HO* C 23 2HO* C 23 -17.673 -8.497 6.608 245 H1* C 23 H1* C 23 -18.464 -8.315 4.476 246 1H4 C 23 1H4 C 23 -15.325 -5.028 -0.003 247 2H4 C 23 2H4 C 23 -16.677 -3.927 -0.162 248 H5 C 23 H5 C 23 -18.641 -4.008 1.311 249 H6 C 23 H6 C 23 -19.664 -5.166 3.179 250 1H5* C 24 1H5* C 24 -17.320 -6.814 9.000 251 2H5* C 24 2H5* C 24 -16.294 -5.743 9.991 252 H4* C 24 H4* C 24 -15.151 -7.818 9.122 253 H3* C 24 H3* C 24 -14.051 -5.145 8.217 254 H2* C 24 H2* C 24 -12.217 -6.368 7.265 255 2HO* C 24 2HO* C 24 -13.363 -8.649 8.564 256 H1* C 24 H1* C 24 -13.865 -8.322 6.196 257 1H4 C 24 1H4 C 24 -12.982 -4.048 1.528 258 2H4 C 24 2H4 C 24 -14.270 -3.058 2.172 259 H5 C 24 H5 C 24 -15.418 -3.562 4.276 260 H6 C 24 H6 C 24 -15.542 -5.106 6.125 261 1H5* G 25 1H5* G 25 -10.902 -7.253 9.977 262 2H5* G 25 2H5* G 25 -9.747 -6.203 10.836 263 H4* G 25 H4* G 25 -8.679 -7.591 9.072 264 H3* G 25 H3* G 25 -8.684 -4.601 8.590 265 H2* G 25 H2* G 25 -7.304 -4.999 6.668 266 2HO* G 25 2HO* G 25 -6.511 -7.088 6.237 267 H1* G 25 H1* G 25 -8.852 -7.056 5.756 268 H8 G 25 H8 G 25 -11.325 -4.711 7.309 269 H1 G 25 H1 G 25 -9.072 -2.539 1.728 270 1H2 G 25 1H2 G 25 -7.321 -3.732 1.101 271 2H2 G 25 2H2 G 25 -6.711 -5.068 2.051 272 1H5* U 26 1H5* U 26 -4.983 -5.343 7.724 273 2H5* U 26 2H5* U 26 -3.835 -4.178 8.437 274 H4* U 26 H4* U 26 -3.839 -4.294 5.907 275 H3* U 26 H3* U 26 -4.532 -1.664 7.235 276 H2* U 26 H2* U 26 -4.587 -0.662 5.079 277 2HO* U 26 2HO* U 26 -3.712 -1.702 3.274 278 H1* U 26 H1* U 26 -5.715 -2.920 3.829 279 H3 U 26 H3 U 26 -8.563 0.678 3.464 280 H5 U 26 H5 U 26 -9.477 -1.141 7.143 281 H6 U 26 H6 U 26 -7.494 -2.513 6.882 282 1H5* G 27 1H5* G 27 -1.346 -1.319 4.354 283 2H5* G 27 2H5* G 27 -0.087 -0.171 4.876 284 H4* G 27 H4* G 27 -1.240 0.072 2.515 285 H3* G 27 H3* G 27 0.206 1.893 3.986 286 H2* G 27 H2* G 27 -1.705 2.717 5.162 287 2HO* G 27 2HO* G 27 -1.779 4.392 2.875 288 H1* G 27 H1* G 27 -3.171 2.726 2.502 289 H8 G 27 H8 G 27 -4.016 1.302 5.990 290 H1 G 27 H1 G 27 -7.916 5.924 3.911 291 1H2 G 27 1H2 G 27 -7.172 6.760 2.001 292 2H2 G 27 2H2 G 27 -5.714 6.166 1.239 293 1H5* G 28 1H5* G 28 -0.344 3.923 -0.243 294 2H5* G 28 2H5* G 28 0.430 3.025 -1.570 295 H4* G 28 H4* G 28 1.082 5.284 -1.858 296 H3* G 28 H3* G 28 3.220 3.540 -0.735 297 H2* G 28 H2* G 28 4.627 5.277 0.011 298 2HO* G 28 2HO* G 28 4.384 7.406 -0.727 299 H1* G 28 H1* G 28 2.805 6.973 0.966 300 H8 G 28 H8 G 28 0.862 4.293 2.150 301 H1 G 28 H1 G 28 6.602 3.988 4.890 302 1H2 G 28 1H2 G 28 8.039 5.232 3.787 303 2H2 G 28 2H2 G 28 7.587 6.152 2.372 304 1H5* U 29 1H5* U 29 5.801 6.003 -2.520 305 2H5* U 29 2H5* U 29 6.793 5.115 -3.707 306 H4* U 29 H4* U 29 8.132 6.317 -1.963 307 H3* U 29 H3* U 29 8.311 3.296 -2.093 308 H2* U 29 H2* U 29 9.971 3.350 -0.345 309 2HO* U 29 2HO* U 29 10.672 5.353 0.492 310 H1* U 29 H1* U 29 8.417 4.811 1.295 311 H3 U 29 H3 U 29 8.213 0.179 1.804 312 H5 U 29 H5 U 29 4.561 1.571 0.262 313 H6 U 29 H6 U 29 5.631 3.687 -0.174 314 1H5* C 30 1H5* C 30 12.774 3.749 -3.156 315 2H5* C 30 2H5* C 30 12.905 2.350 -4.257 316 H4* C 30 H4* C 30 14.305 2.388 -2.053 317 H3* C 30 H3* C 30 12.592 -0.015 -2.755 318 H2* C 30 H2* C 30 13.681 -1.117 -0.929 319 2HO* C 30 2HO* C 30 15.457 -0.143 0.108 320 H1* C 30 H1* C 30 13.538 1.150 0.688 321 1H4 C 30 1H4 C 30 8.692 -2.582 2.429 322 2H4 C 30 2H4 C 30 7.715 -1.987 1.101 323 H5 C 30 H5 C 30 8.591 -0.456 -0.620 324 H6 C 30 H6 C 30 10.561 0.764 -1.341 325 1H5* C 31 1H5* C 31 16.910 -1.465 -2.290 326 2H5* C 31 2H5* C 31 16.877 -3.107 -2.987 327 H4* C 31 H4* C 31 17.445 -2.777 -0.447 328 H3* C 31 H3* C 31 15.355 -4.792 -1.313 329 H2* C 31 H2* C 31 15.453 -5.574 0.967 330 2HO* C 31 2HO* C 31 17.007 -4.653 2.404 331 H1* C 31 H1* C 31 15.463 -2.969 1.972 332 1H4 C 31 1H4 C 31 9.408 -4.975 2.182 333 2H4 C 31 2H4 C 31 9.177 -4.510 0.511 334 H5 C 31 H5 C 31 11.008 -3.677 -0.912 335 H6 C 31 H6 C 31 13.373 -3.172 -0.968 336 1H5* U 32 1H5* U 32 17.836 -6.799 1.171 337 2H5* U 32 2H5* U 32 18.462 -8.244 0.348 338 H4* U 32 H4* U 32 17.731 -8.928 2.508 339 H3* U 32 H3* U 32 15.600 -9.638 0.484 340 H2* U 32 H2* U 32 14.509 -10.818 2.255 341 2HO* U 32 2HO* U 32 15.538 -11.074 4.274 342 H1* U 32 H1* U 32 14.916 -8.810 4.079 343 H3 U 32 H3 U 32 10.488 -8.907 3.062 344 H5 U 32 H5 U 32 12.252 -6.652 -0.012 345 H6 U 32 H6 U 32 14.439 -7.296 0.861 346 1H5* C 33 1H5* C 33 16.600 -13.007 2.856 347 2H5* C 33 2H5* C 33 16.565 -14.509 1.899 348 H4* C 33 H4* C 33 15.171 -14.637 3.952 349 H3* C 33 H3* C 33 13.636 -14.697 1.342 350 H2* C 33 H2* C 33 11.696 -15.205 2.633 351 2HO* C 33 2HO* C 33 11.876 -15.627 4.877 352 H1* C 33 H1* C 33 12.276 -13.344 4.593 353 1H4 C 33 1H4 C 33 8.297 -10.465 0.509 354 2H4 C 33 2H4 C 33 9.652 -9.977 -0.486 355 H5 C 33 H5 C 33 11.964 -10.709 -0.051 356 H6 C 33 H6 C 33 13.356 -12.040 1.408 357 1H5* C 34 1H5* C 34 12.491 -17.999 3.859 358 2H5* C 34 2H5* C 34 12.210 -19.433 2.845 359 H4* C 34 H4* C 34 10.318 -18.823 4.396 360 H3* C 34 H3* C 34 9.790 -18.849 1.414 361 H2* C 34 H2* C 34 7.479 -18.479 1.891 362 2HO* C 34 2HO* C 34 6.718 -18.598 4.052 363 H1* C 34 H1* C 34 7.980 -16.634 3.915 364 1H4 C 34 1H4 C 34 6.845 -13.272 -1.400 365 2H4 C 34 2H4 C 34 8.556 -13.286 -1.773 366 H5 C 34 H5 C 34 10.196 -14.582 -0.475 367 H6 C 34 H6 C 34 10.472 -16.074 1.404 Start of MODEL 8 1 1H5* G 1 1H5* G 1 -3.815 -10.042 3.579 2 2H5* G 1 2H5* G 1 -2.638 -10.459 2.333 3 H4* G 1 H4* G 1 -3.570 -12.304 4.544 4 H3* G 1 H3* G 1 -1.017 -10.707 4.240 5 H2* G 1 H2* G 1 0.128 -12.455 5.394 6 2HO* G 1 2HO* G 1 -1.045 -14.189 6.317 7 H1* G 1 H1* G 1 -1.073 -14.460 3.981 8 H8 G 1 H8 G 1 -0.572 -11.660 1.535 9 H1 G 1 H1 G 1 4.859 -14.779 2.826 10 1H2 G 1 1H2 G 1 4.581 -16.116 4.564 11 2H2 G 1 2H2 G 1 3.050 -16.251 5.403 12 1H5* G 2 1H5* G 2 -1.019 -11.919 8.359 13 2H5* G 2 2H5* G 2 -0.299 -10.612 9.338 14 H4* G 2 H4* G 2 0.842 -12.884 9.478 15 H3* G 2 H3* G 2 2.456 -10.495 8.544 16 H2* G 2 H2* G 2 4.386 -11.901 8.596 17 2HO* G 2 2HO* G 2 4.362 -13.893 9.613 18 H1* G 2 H1* G 2 3.050 -14.099 7.524 19 H8 G 2 H8 G 2 1.805 -11.362 5.387 20 H1 G 2 H1 G 2 7.974 -12.573 4.216 21 1H2 G 2 1H2 G 2 8.831 -13.824 5.826 22 2H2 G 2 2H2 G 2 7.879 -14.372 7.188 23 1H5* A 3 1H5* A 3 4.751 -11.992 12.138 24 2H5* A 3 2H5* A 3 5.105 -10.480 13.017 25 H4* A 3 H4* A 3 7.138 -11.812 12.713 26 H3* A 3 H3* A 3 7.060 -9.320 10.993 27 H2* A 3 H2* A 3 9.358 -9.791 10.417 28 2HO* A 3 2HO* A 3 10.391 -11.614 11.391 29 H1* A 3 H1* A 3 8.824 -12.417 9.866 30 H8 A 3 H8 A 3 5.711 -10.552 8.871 31 1H6 A 3 1H6 A 3 8.643 -9.025 3.642 32 2H6 A 3 2H6 A 3 7.104 -9.039 4.474 33 H2 A 3 H2 A 3 11.619 -10.833 6.474 34 1H5* G 4 1H5* G 4 10.615 -8.905 13.191 35 2H5* G 4 2H5* G 4 10.855 -7.228 13.740 36 H4* G 4 H4* G 4 12.798 -8.086 12.477 37 H3* G 4 H3* G 4 11.239 -5.906 11.063 38 H2* G 4 H2* G 4 12.984 -5.887 9.407 39 2HO* G 4 2HO* G 4 14.776 -6.261 10.843 40 H1* G 4 H1* G 4 13.000 -8.613 9.172 41 H8 G 4 H8 G 4 9.423 -7.817 9.881 42 H1 G 4 H1 G 4 11.152 -6.227 3.941 43 1H2 G 4 1H2 G 4 13.352 -6.299 3.741 44 2H2 G 4 2H2 G 4 14.392 -6.752 5.071 45 1H5* G 5 1H5* G 5 15.333 -4.035 11.124 46 2H5* G 5 2H5* G 5 14.959 -2.387 11.693 47 H4* G 5 H4* G 5 16.305 -2.470 9.577 48 H3* G 5 H3* G 5 13.548 -1.223 9.408 49 H2* G 5 H2* G 5 14.079 -0.578 7.155 50 2HO* G 5 2HO* G 5 16.205 -1.023 6.341 51 H1* G 5 H1* G 5 15.114 -3.038 6.511 52 H8 G 5 H8 G 5 12.300 -3.890 8.815 53 H1 G 5 H1 G 5 10.220 -1.965 3.081 54 1H2 G 5 1H2 G 5 11.877 -1.064 1.923 55 2H2 G 5 2H2 G 5 13.496 -0.927 2.571 56 1H5* A 6 1H5* A 6 16.622 1.775 7.926 57 2H5* A 6 2H5* A 6 15.951 3.383 8.307 58 H4* A 6 H4* A 6 16.608 2.909 5.862 59 H3* A 6 H3* A 6 13.813 3.860 6.540 60 H2* A 6 H2* A 6 13.420 4.041 4.184 61 2HO* A 6 2HO* A 6 15.133 3.710 2.707 62 H1* A 6 H1* A 6 14.586 1.624 3.617 63 H8 A 6 H8 A 6 12.734 1.211 6.886 64 1H6 A 6 1H6 A 6 7.585 0.461 3.553 65 2H6 A 6 2H6 A 6 8.296 0.339 5.144 66 H2 A 6 H2 A 6 10.837 1.865 0.803 67 1H5* C 7 1H5* C 7 15.299 6.353 3.428 68 2H5* C 7 2H5* C 7 14.607 7.990 3.569 69 H4* C 7 H4* C 7 14.120 6.778 1.400 70 H3* C 7 H3* C 7 11.754 7.571 3.108 71 H2* C 7 H2* C 7 10.370 6.953 1.228 72 2HO* C 7 2HO* C 7 11.390 6.264 -0.721 73 H1* C 7 H1* C 7 11.709 4.584 0.872 74 1H4 C 7 1H4 C 7 6.940 3.408 4.969 75 2H4 C 7 2H4 C 7 8.018 3.725 6.310 76 H5 C 7 H5 C 7 10.305 4.565 6.009 77 H6 C 7 H6 C 7 11.939 5.248 4.370 78 1H5* A 8 1H5* A 8 10.835 9.536 -0.639 79 2H5* A 8 2H5* A 8 10.065 11.090 -0.217 80 H4* A 8 H4* A 8 8.689 9.540 -1.677 81 H3* A 8 H3* A 8 7.561 10.361 1.014 82 H2* A 8 H2* A 8 5.509 9.286 0.336 83 2HO* A 8 2HO* A 8 5.446 8.278 -1.762 84 H1* A 8 H1* A 8 6.769 7.028 -0.427 85 H8 A 8 H8 A 8 9.075 7.598 2.276 86 1H6 A 8 1H6 A 8 4.617 6.573 6.424 87 2H6 A 8 2H6 A 8 6.341 6.710 6.173 88 H2 A 8 H2 A 8 2.699 7.240 2.439 89 1H5* U 9 1H5* U 9 4.764 10.766 -1.340 90 2H5* U 9 2H5* U 9 4.121 12.394 -1.679 91 H4* U 9 H4* U 9 2.313 10.788 -1.445 92 H3* U 9 H3* U 9 2.526 12.989 0.521 93 H2* U 9 H2* U 9 1.185 11.993 2.137 94 2HO* U 9 2HO* U 9 -0.546 10.712 1.709 95 H1* U 9 H1* U 9 1.479 9.319 1.613 96 H3 U 9 H3 U 9 2.664 10.598 5.936 97 H5 U 9 H5 U 9 6.168 10.567 3.620 98 H6 U 9 H6 U 9 4.769 10.354 1.644 99 1H5* U 10 1H5* U 10 -2.360 12.538 1.430 100 2H5* U 10 2H5* U 10 -2.547 13.897 0.295 101 H4* U 10 H4* U 10 -3.295 14.145 2.817 102 H3* U 10 H3* U 10 -2.686 16.112 0.957 103 H2* U 10 H2* U 10 -0.348 16.096 1.558 104 2HO* U 10 2HO* U 10 -1.564 18.081 3.183 105 H1* U 10 H1* U 10 -1.267 16.093 4.436 106 H3 U 10 H3 U 10 2.807 15.924 6.313 107 H5 U 10 H5 U 10 3.419 14.039 2.602 108 H6 U 10 H6 U 10 1.096 14.441 2.082 109 1H5* C 11 1H5* C 11 -6.931 16.131 3.996 110 2H5* C 11 2H5* C 11 -5.503 15.110 4.322 111 H4* C 11 H4* C 11 -7.806 14.273 2.543 112 H3* C 11 H3* C 11 -8.130 14.457 5.279 113 H2* C 11 H2* C 11 -6.327 13.024 5.829 114 2HO* C 11 2HO* C 11 -7.281 10.804 5.996 115 H1* C 11 H1* C 11 -7.103 11.185 3.564 116 1H4 C 11 1H4 C 11 -1.505 8.588 5.168 117 2H4 C 11 2H4 C 11 -0.713 10.144 5.102 118 H5 C 11 H5 C 11 -1.925 12.239 4.659 119 H6 C 11 H6 C 11 -4.090 13.190 4.199 120 1H5* C 12 1H5* C 12 -11.049 10.971 4.484 121 2H5* C 12 2H5* C 12 -12.292 11.807 3.509 122 H4* C 12 H4* C 12 -13.820 10.686 4.700 123 H3* C 12 H3* C 12 -13.520 12.938 6.218 124 H2* C 12 H2* C 12 -11.765 12.056 7.583 125 2HO* C 12 2HO* C 12 -13.483 12.715 8.985 126 H1* C 12 H1* C 12 -13.294 9.452 7.876 127 1H4 C 12 1H4 C 12 -7.719 7.612 10.350 128 2H4 C 12 2H4 C 12 -6.827 8.403 9.072 129 H5 C 12 H5 C 12 -7.918 9.705 7.294 130 H6 C 12 H6 C 12 -10.040 10.471 6.445 131 1H5* U 13 1H5* U 13 -17.304 8.799 5.640 132 2H5* U 13 2H5* U 13 -15.663 9.437 5.908 133 H4* U 13 H4* U 13 -16.045 10.375 3.461 134 H3* U 13 H3* U 13 -18.359 9.117 3.349 135 H2* U 13 H2* U 13 -17.523 7.097 4.414 136 2HO* U 13 2HO* U 13 -17.434 5.494 2.707 137 H1* U 13 H1* U 13 -15.296 6.919 2.394 138 H3 U 13 H3 U 13 -13.962 3.235 4.758 139 H5 U 13 H5 U 13 -14.169 6.327 7.625 140 H6 U 13 H6 U 13 -15.124 7.727 5.940 141 1H5* C 14 1H5* C 14 -14.706 9.173 -0.414 142 2H5* C 14 2H5* C 14 -14.339 8.499 1.194 143 H4* C 14 H4* C 14 -12.814 10.757 -0.155 144 H3* C 14 H3* C 14 -12.196 7.809 0.112 145 H2* C 14 H2* C 14 -9.890 8.294 0.427 146 2HO* C 14 2HO* C 14 -9.054 10.357 -0.025 147 H1* C 14 H1* C 14 -10.290 10.549 1.987 148 1H4 C 14 1H4 C 14 -9.213 5.795 6.108 149 2H4 C 14 2H4 C 14 -10.915 5.407 6.098 150 H5 C 14 H5 C 14 -12.516 6.502 4.612 151 H6 C 14 H6 C 14 -12.772 8.148 2.865 152 1H5* A 15 1H5* A 15 -9.137 8.560 -1.904 153 2H5* A 15 2H5* A 15 -9.037 7.662 -3.439 154 H4* A 15 H4* A 15 -7.048 7.174 -2.209 155 H3* A 15 H3* A 15 -9.049 4.920 -2.056 156 H2* A 15 H2* A 15 -7.540 3.632 -0.711 157 2HO* A 15 2HO* A 15 -5.392 4.386 -0.378 158 H1* A 15 H1* A 15 -6.820 5.728 0.906 159 H8 A 15 H8 A 15 -10.408 5.903 -0.252 160 1H6 A 15 1H6 A 15 -11.695 2.591 4.890 161 2H6 A 15 2H6 A 15 -12.417 3.464 3.553 162 H2 A 15 H2 A 15 -7.231 2.898 4.336 163 1H5* C 16 1H5* C 16 -5.458 3.127 -3.422 164 2H5* C 16 2H5* C 16 -5.755 1.928 -4.713 165 H4* C 16 H4* C 16 -4.492 1.081 -2.694 166 H3* C 16 H3* C 16 -7.124 -0.206 -3.446 167 H2* C 16 H2* C 16 -6.761 -1.817 -1.719 168 2HO* C 16 2HO* C 16 -4.753 -1.881 -0.611 169 H1* C 16 H1* C 16 -5.850 0.049 0.107 170 1H4 C 16 1H4 C 16 -12.101 -0.816 1.170 171 2H4 C 16 2H4 C 16 -12.423 0.662 0.287 172 H5 C 16 H5 C 16 -10.676 1.894 -0.934 173 H6 C 16 H6 C 16 -8.332 1.915 -1.509 174 1H5* G 17 1H5* G 17 -4.013 -3.168 -3.213 175 2H5* G 17 2H5* G 17 -4.147 -4.364 -4.528 176 H4* G 17 H4* G 17 -3.894 -5.464 -2.353 177 H3* G 17 H3* G 17 -6.641 -5.748 -3.590 178 H2* G 17 H2* G 17 -7.228 -7.228 -1.789 179 2HO* G 17 2HO* G 17 -5.613 -7.820 -0.249 180 H1* G 17 H1* G 17 -6.169 -5.597 0.142 181 H8 G 17 H8 G 17 -7.579 -3.405 -2.613 182 H1 G 17 H1 G 17 -12.027 -5.583 1.430 183 1H2 G 17 1H2 G 17 -11.168 -7.128 2.762 184 2H2 G 17 2H2 G 17 -9.493 -7.621 2.652 185 1H5* G 18 1H5* G 18 -5.451 -9.590 -2.620 186 2H5* G 18 2H5* G 18 -5.863 -10.773 -3.890 187 H4* G 18 H4* G 18 -6.766 -11.388 -1.659 188 H3* G 18 H3* G 18 -8.815 -10.680 -3.770 189 H2* G 18 H2* G 18 -10.519 -11.350 -2.234 190 2HO* G 18 2HO* G 18 -9.411 -13.245 -1.435 191 H1* G 18 H1* G 18 -9.242 -10.201 -0.028 192 H8 G 18 H8 G 18 -9.053 -7.876 -3.027 193 H1 G 18 H1 G 18 -14.652 -7.583 0.074 194 1H2 G 18 1H2 G 18 -14.803 -9.229 1.555 195 2H2 G 18 2H2 G 18 -13.519 -10.395 1.783 196 1H5* G 19 1H5* G 19 -11.117 -15.083 -5.407 197 2H5* G 19 2H5* G 19 -11.490 -13.401 -5.874 198 H4* G 19 H4* G 19 -12.723 -15.115 -3.732 199 H3* G 19 H3* G 19 -13.808 -13.268 -5.873 200 H2* G 19 H2* G 19 -15.800 -13.010 -4.554 201 2HO* G 19 2HO* G 19 -16.040 -14.230 -2.621 202 H1* G 19 H1* G 19 -14.430 -12.567 -2.238 203 H8 G 19 H8 G 19 -12.656 -11.291 -5.412 204 H1 G 19 H1 G 19 -16.663 -7.100 -2.719 205 1H2 G 19 1H2 G 19 -17.788 -8.062 -1.087 206 2H2 G 19 2H2 G 19 -17.548 -9.738 -0.648 207 1H5* U 20 1H5* U 20 -15.704 -12.685 -8.235 208 2H5* U 20 2H5* U 20 -15.668 -13.521 -6.667 209 H4* U 20 H4* U 20 -16.861 -14.706 -9.188 210 H3* U 20 H3* U 20 -18.211 -13.253 -6.895 211 H2* U 20 H2* U 20 -20.074 -14.697 -7.140 212 2HO* U 20 2HO* U 20 -20.121 -14.524 -9.495 213 H1* U 20 H1* U 20 -18.499 -16.943 -7.854 214 H3 U 20 H3 U 20 -20.383 -18.444 -4.072 215 H5 U 20 H5 U 20 -17.904 -15.349 -2.708 216 H6 U 20 H6 U 20 -17.418 -14.805 -5.094 217 1H5* G 21 1H5* G 21 -19.094 -9.691 -5.989 218 2H5* G 21 2H5* G 21 -18.487 -11.352 -5.743 219 H4* G 21 H4* G 21 -21.438 -10.950 -5.689 220 H3* G 21 H3* G 21 -19.607 -9.990 -3.485 221 H2* G 21 H2* G 21 -21.205 -10.773 -1.890 222 2HO* G 21 2HO* G 21 -23.136 -10.172 -2.961 223 H1* G 21 H1* G 21 -21.633 -13.151 -3.147 224 H8 G 21 H8 G 21 -18.029 -11.768 -3.276 225 H1 G 21 H1 G 21 -19.232 -15.708 1.609 226 1H2 G 21 1H2 G 21 -21.379 -16.236 1.659 227 2H2 G 21 2H2 G 21 -22.520 -15.608 0.492 228 1H5* A 22 1H5* A 22 -23.425 -8.150 -2.747 229 2H5* A 22 2H5* A 22 -23.322 -6.699 -1.713 230 H4* A 22 H4* A 22 -24.595 -8.592 -0.685 231 H3* A 22 H3* A 22 -22.029 -7.779 0.697 232 H2* A 22 H2* A 22 -22.655 -9.266 2.484 233 2HO* A 22 2HO* A 22 -24.974 -8.832 2.331 234 H1* A 22 H1* A 22 -23.254 -11.296 0.756 235 H8 A 22 H8 A 22 -20.393 -9.341 -0.758 236 1H6 A 22 1H6 A 22 -16.612 -12.628 2.852 237 2H6 A 22 2H6 A 22 -16.703 -11.497 1.520 238 H2 A 22 H2 A 22 -20.823 -13.430 4.125 239 1H5* C 23 1H5* C 23 -23.171 -7.409 3.376 240 2H5* C 23 2H5* C 23 -22.629 -6.201 4.564 241 H4* C 23 H4* C 23 -21.474 -8.482 4.602 242 H3* C 23 H3* C 23 -19.822 -5.974 4.247 243 H2* C 23 H2* C 23 -17.869 -7.351 4.459 244 2HO* C 23 2HO* C 23 -19.701 -9.466 5.084 245 H1* C 23 H1* C 23 -18.866 -9.325 2.800 246 1H4 C 23 1H4 C 23 -15.439 -5.401 -0.902 247 2H4 C 23 2H4 C 23 -16.860 -4.420 -1.183 248 H5 C 23 H5 C 23 -18.993 -4.804 -0.029 249 H6 C 23 H6 C 23 -20.144 -6.202 1.575 250 1H5* C 24 1H5* C 24 -18.313 -8.140 7.545 251 2H5* C 24 2H5* C 24 -17.664 -7.077 8.821 252 H4* C 24 H4* C 24 -16.019 -8.757 7.974 253 H3* C 24 H3* C 24 -15.356 -5.854 7.422 254 H2* C 24 H2* C 24 -13.211 -6.618 6.667 255 2HO* C 24 2HO* C 24 -12.621 -8.815 6.932 256 H1* C 24 H1* C 24 -14.293 -8.769 5.274 257 1H4 C 24 1H4 C 24 -13.605 -4.118 0.960 258 2H4 C 24 2H4 C 24 -15.080 -3.353 1.509 259 H5 C 24 H5 C 24 -16.357 -4.158 3.441 260 H6 C 24 H6 C 24 -16.449 -5.831 5.176 261 1H5* G 25 1H5* G 25 -12.193 -7.610 9.633 262 2H5* G 25 2H5* G 25 -11.426 -6.476 10.773 263 H4* G 25 H4* G 25 -9.831 -7.589 9.194 264 H3* G 25 H3* G 25 -10.111 -4.580 9.003 265 H2* G 25 H2* G 25 -8.329 -4.590 7.406 266 2HO* G 25 2HO* G 25 -7.196 -6.539 6.970 267 H1* G 25 H1* G 25 -9.320 -6.741 6.012 268 H8 G 25 H8 G 25 -12.407 -4.892 6.989 269 H1 G 25 H1 G 25 -9.136 -1.867 2.387 270 1H2 G 25 1H2 G 25 -7.112 -2.750 2.194 271 2H2 G 25 2H2 G 25 -6.574 -4.082 3.190 272 1H5* U 26 1H5* U 26 -6.075 -5.030 9.135 273 2H5* U 26 2H5* U 26 -5.300 -3.764 10.125 274 H4* U 26 H4* U 26 -4.642 -3.869 7.656 275 H3* U 26 H3* U 26 -5.754 -1.308 8.824 276 H2* U 26 H2* U 26 -5.343 -0.238 6.728 277 2HO* U 26 2HO* U 26 -3.916 -2.627 6.040 278 H1* U 26 H1* U 26 -6.169 -2.420 5.204 279 H3 U 26 H3 U 26 -9.018 1.211 4.761 280 H5 U 26 H5 U 26 -10.567 -1.161 7.873 281 H6 U 26 H6 U 26 -8.512 -2.441 7.831 282 1H5* G 27 1H5* G 27 -1.944 -0.959 6.841 283 2H5* G 27 2H5* G 27 -0.902 0.363 7.424 284 H4* G 27 H4* G 27 -1.882 0.096 4.872 285 H3* G 27 H3* G 27 -0.194 1.923 6.080 286 H2* G 27 H2* G 27 -1.887 3.351 6.883 287 2HO* G 27 2HO* G 27 -2.198 5.075 5.339 288 H1* G 27 H1* G 27 -3.470 3.005 4.339 289 H8 G 27 H8 G 27 -4.194 2.343 8.061 290 H1 G 27 H1 G 27 -7.796 6.879 5.373 291 1H2 G 27 1H2 G 27 -7.145 7.265 3.299 292 2H2 G 27 2H2 G 27 -5.816 6.390 2.569 293 1H5* G 28 1H5* G 28 -1.828 3.604 1.265 294 2H5* G 28 2H5* G 28 -2.472 2.209 0.360 295 H4* G 28 H4* G 28 -1.410 3.278 -1.348 296 H3* G 28 H3* G 28 0.661 1.543 -0.036 297 H2* G 28 H2* G 28 2.451 2.520 -1.231 298 2HO* G 28 2HO* G 28 2.008 4.034 -2.932 299 H1* G 28 H1* G 28 1.727 5.072 -0.933 300 H8 G 28 H8 G 28 0.422 3.518 2.234 301 H1 G 28 H1 G 28 6.759 4.307 2.309 302 1H2 G 28 1H2 G 28 7.500 4.810 0.290 303 2H2 G 28 2H2 G 28 6.429 4.961 -1.085 304 1H5* U 29 1H5* U 29 1.550 1.055 -4.119 305 2H5* U 29 2H5* U 29 1.928 -0.647 -4.503 306 H4* U 29 H4* U 29 3.766 0.928 -5.079 307 H3* U 29 H3* U 29 4.369 -1.037 -2.854 308 H2* U 29 H2* U 29 6.613 -0.260 -2.927 309 2HO* U 29 2HO* U 29 7.346 1.053 -4.631 310 H1* U 29 H1* U 29 5.875 2.404 -3.363 311 H3 U 29 H3 U 29 8.031 1.880 0.745 312 H5 U 29 H5 U 29 3.962 1.006 1.431 313 H6 U 29 H6 U 29 3.614 1.069 -0.953 314 1H5* C 30 1H5* C 30 7.528 -1.410 -5.777 315 2H5* C 30 2H5* C 30 8.242 -3.040 -5.654 316 H4* C 30 H4* C 30 9.704 -0.936 -5.106 317 H3* C 30 H3* C 30 9.570 -3.360 -3.303 318 H2* C 30 H2* C 30 11.232 -2.338 -1.923 319 2HO* C 30 2HO* C 30 11.467 -0.370 -3.990 320 H1* C 30 H1* C 30 10.126 0.204 -2.110 321 1H4 C 30 1H4 C 30 8.064 -2.496 3.346 322 2H4 C 30 2H4 C 30 6.539 -2.810 2.552 323 H5 C 30 H5 C 30 6.172 -2.423 0.162 324 H6 C 30 H6 C 30 7.208 -1.680 -1.888 325 1H5* C 31 1H5* C 31 13.613 -2.598 -3.476 326 2H5* C 31 2H5* C 31 14.455 -4.089 -3.978 327 H4* C 31 H4* C 31 15.464 -3.207 -1.945 328 H3* C 31 H3* C 31 13.805 -5.696 -1.486 329 H2* C 31 H2* C 31 14.573 -5.702 0.782 330 2HO* C 31 2HO* C 31 16.146 -4.110 1.431 331 H1* C 31 H1* C 31 14.198 -2.995 1.114 332 1H4 C 31 1H4 C 31 8.788 -5.754 3.076 333 2H4 C 31 2H4 C 31 8.138 -5.643 1.455 334 H5 C 31 H5 C 31 9.469 -4.879 -0.462 335 H6 C 31 H6 C 31 11.646 -4.087 -1.142 336 1H5* U 32 1H5* U 32 16.869 -6.976 0.737 337 2H5* U 32 2H5* U 32 17.637 -8.263 -0.227 338 H4* U 32 H4* U 32 17.412 -9.216 1.891 339 H3* U 32 H3* U 32 14.978 -10.018 0.289 340 H2* U 32 H2* U 32 14.316 -11.372 2.117 341 2HO* U 32 2HO* U 32 15.686 -11.721 3.875 342 H1* U 32 H1* U 32 14.797 -9.502 3.989 343 H3 U 32 H3 U 32 10.338 -9.852 3.539 344 H5 U 32 H5 U 32 11.470 -7.189 0.509 345 H6 U 32 H6 U 32 13.814 -7.721 1.008 346 1H5* C 33 1H5* C 33 16.725 -13.501 2.196 347 2H5* C 33 2H5* C 33 16.324 -14.972 1.275 348 H4* C 33 H4* C 33 15.560 -14.928 3.700 349 H3* C 33 H3* C 33 13.445 -15.234 1.551 350 H2* C 33 H2* C 33 11.898 -15.662 3.318 351 2HO* C 33 2HO* C 33 12.624 -15.887 5.468 352 H1* C 33 H1* C 33 12.850 -13.616 4.903 353 1H4 C 33 1H4 C 33 7.933 -11.193 1.635 354 2H4 C 33 2H4 C 33 8.993 -10.801 0.298 355 H5 C 33 H5 C 33 11.365 -11.463 0.233 356 H6 C 33 H6 C 33 13.107 -12.627 1.438 357 1H5* C 34 1H5* C 34 13.009 -18.317 4.567 358 2H5* C 34 2H5* C 34 12.441 -19.804 3.772 359 H4* C 34 H4* C 34 11.022 -18.987 5.698 360 H3* C 34 H3* C 34 9.740 -19.217 2.963 361 H2* C 34 H2* C 34 7.641 -18.729 3.997 362 2HO* C 34 2HO* C 34 7.521 -18.609 6.311 363 H1* C 34 H1* C 34 8.697 -16.758 5.667 364 1H4 C 34 1H4 C 34 6.234 -13.734 0.603 365 2H4 C 34 2H4 C 34 7.758 -13.898 -0.244 366 H5 C 34 H5 C 34 9.649 -15.198 0.646 367 H6 C 34 H6 C 34 10.398 -16.551 2.501 Start of MODEL 9 1 1H5* G 1 1H5* G 1 -2.374 -12.005 1.338 2 2H5* G 1 2H5* G 1 -0.971 -12.230 0.294 3 H4* G 1 H4* G 1 -1.984 -14.241 2.316 4 H3* G 1 H3* G 1 0.341 -12.306 2.435 5 H2* G 1 H2* G 1 1.532 -13.919 3.732 6 2HO* G 1 2HO* G 1 -0.907 -15.415 3.730 7 H1* G 1 H1* G 1 0.863 -16.022 2.129 8 H8 G 1 H8 G 1 1.302 -13.097 -0.180 9 H1 G 1 H1 G 1 6.878 -15.446 1.886 10 1H2 G 1 1H2 G 1 6.542 -16.860 3.550 11 2H2 G 1 2H2 G 1 4.939 -17.239 4.143 12 1H5* G 2 1H5* G 2 -0.120 -13.668 6.480 13 2H5* G 2 2H5* G 2 0.246 -12.313 7.583 14 H4* G 2 H4* G 2 1.661 -14.414 7.862 15 H3* G 2 H3* G 2 3.043 -11.788 7.247 16 H2* G 2 H2* G 2 5.123 -12.915 7.588 17 2HO* G 2 2HO* G 2 5.152 -15.044 8.441 18 H1* G 2 H1* G 2 4.298 -15.229 6.265 19 H8 G 2 H8 G 2 3.031 -12.611 4.005 20 H1 G 2 H1 G 2 9.419 -12.869 3.866 21 1H2 G 2 1H2 G 2 10.179 -14.053 5.573 22 2H2 G 2 2H2 G 2 9.108 -14.793 6.743 23 1H5* A 3 1H5* A 3 4.934 -13.145 11.067 24 2H5* A 3 2H5* A 3 4.952 -11.667 12.067 25 H4* A 3 H4* A 3 7.167 -12.718 12.012 26 H3* A 3 H3* A 3 7.016 -10.133 10.440 27 H2* A 3 H2* A 3 9.412 -10.277 10.205 28 2HO* A 3 2HO* A 3 10.523 -12.025 11.232 29 H1* A 3 H1* A 3 9.321 -12.909 9.453 30 H8 A 3 H8 A 3 6.187 -11.379 8.047 31 1H6 A 3 1H6 A 3 9.675 -9.147 3.447 32 2H6 A 3 2H6 A 3 8.040 -9.415 4.009 33 H2 A 3 H2 A 3 12.382 -10.757 6.644 34 1H5* G 4 1H5* G 4 10.128 -9.517 13.203 35 2H5* G 4 2H5* G 4 10.098 -7.867 13.873 36 H4* G 4 H4* G 4 12.294 -8.452 12.891 37 H3* G 4 H3* G 4 10.756 -6.314 11.396 38 H2* G 4 H2* G 4 12.715 -6.005 10.038 39 2HO* G 4 2HO* G 4 14.308 -6.310 11.692 40 H1* G 4 H1* G 4 13.060 -8.692 9.643 41 H8 G 4 H8 G 4 9.351 -8.278 9.801 42 H1 G 4 H1 G 4 11.818 -6.124 4.315 43 1H2 G 4 1H2 G 4 14.015 -5.982 4.468 44 2H2 G 4 2H2 G 4 14.880 -6.431 5.921 45 1H5* G 5 1H5* G 5 14.549 -4.197 12.188 46 2H5* G 5 2H5* G 5 14.039 -2.564 12.688 47 H4* G 5 H4* G 5 15.661 -2.629 10.760 48 H3* G 5 H3* G 5 12.930 -1.415 10.265 49 H2* G 5 H2* G 5 13.709 -0.761 8.092 50 2HO* G 5 2HO* G 5 15.910 -1.091 7.528 51 H1* G 5 H1* G 5 14.871 -3.199 7.575 52 H8 G 5 H8 G 5 11.826 -4.190 9.462 53 H1 G 5 H1 G 5 10.396 -2.054 3.604 54 1H2 G 5 1H2 G 5 12.153 -1.055 2.699 55 2H2 G 5 2H2 G 5 13.677 -0.912 3.546 56 1H5* A 6 1H5* A 6 16.098 1.586 9.129 57 2H5* A 6 2H5* A 6 15.376 3.201 9.370 58 H4* A 6 H4* A 6 16.306 2.545 7.017 59 H3* A 6 H3* A 6 13.550 3.745 7.394 60 H2* A 6 H2* A 6 13.363 3.826 5.012 61 2HO* A 6 2HO* A 6 15.177 3.300 3.703 62 H1* A 6 H1* A 6 14.448 1.324 4.644 63 H8 A 6 H8 A 6 12.235 1.008 7.658 64 1H6 A 6 1H6 A 6 7.440 0.645 3.781 65 2H6 A 6 2H6 A 6 7.968 0.447 5.434 66 H2 A 6 H2 A 6 11.048 1.932 1.439 67 1H5* C 7 1H5* C 7 15.488 5.824 4.270 68 2H5* C 7 2H5* C 7 15.026 7.544 4.280 69 H4* C 7 H4* C 7 14.538 6.283 2.134 70 H3* C 7 H3* C 7 12.226 7.541 3.613 71 H2* C 7 H2* C 7 10.840 6.985 1.730 72 2HO* C 7 2HO* C 7 11.779 6.174 -0.179 73 H1* C 7 H1* C 7 11.941 4.454 1.471 74 1H4 C 7 1H4 C 7 6.710 3.795 5.085 75 2H4 C 7 2H4 C 7 7.685 4.014 6.523 76 H5 C 7 H5 C 7 10.064 4.623 6.442 77 H6 C 7 H6 C 7 11.909 5.128 4.964 78 1H5* A 8 1H5* A 8 10.325 11.409 0.793 79 2H5* A 8 2H5* A 8 9.571 10.290 1.960 80 H4* A 8 H4* A 8 9.578 10.130 -1.060 81 H3* A 8 H3* A 8 7.460 10.558 1.025 82 H2* A 8 H2* A 8 5.905 9.091 -0.032 83 2HO* A 8 2HO* A 8 7.804 8.954 -2.169 84 H1* A 8 H1* A 8 7.581 7.075 -0.447 85 H8 A 8 H8 A 8 9.440 7.974 2.459 86 1H6 A 8 1H6 A 8 4.664 6.592 6.132 87 2H6 A 8 2H6 A 8 6.383 6.905 6.069 88 H2 A 8 H2 A 8 3.154 6.941 1.935 89 1H5* U 9 1H5* U 9 5.345 10.608 -1.787 90 2H5* U 9 2H5* U 9 4.510 12.080 -2.360 91 H4* U 9 H4* U 9 2.941 10.242 -2.217 92 H3* U 9 H3* U 9 2.572 12.562 -0.437 93 H2* U 9 H2* U 9 1.355 11.453 1.200 94 2HO* U 9 2HO* U 9 -0.237 10.007 0.755 95 H1* U 9 H1* U 9 1.904 8.776 0.668 96 H3 U 9 H3 U 9 2.317 9.927 5.158 97 H5 U 9 H5 U 9 6.074 10.522 3.370 98 H6 U 9 H6 U 9 5.009 10.233 1.208 99 1H5* U 10 1H5* U 10 -2.205 11.343 -0.182 100 2H5* U 10 2H5* U 10 -2.494 12.629 -1.379 101 H4* U 10 H4* U 10 -3.669 12.722 0.977 102 H3* U 10 H3* U 10 -3.165 14.764 -0.833 103 H2* U 10 H2* U 10 -1.012 15.267 0.113 104 2HO* U 10 2HO* U 10 -2.884 16.919 1.464 105 H1* U 10 H1* U 10 -2.283 15.056 2.849 106 H3 U 10 H3 U 10 1.519 15.702 5.167 107 H5 U 10 H5 U 10 2.889 13.907 1.610 108 H6 U 10 H6 U 10 0.604 13.853 0.839 109 1H5* C 11 1H5* C 11 -7.365 15.751 2.505 110 2H5* C 11 2H5* C 11 -5.800 15.015 2.947 111 H4* C 11 H4* C 11 -8.534 13.717 3.021 112 H3* C 11 H3* C 11 -7.339 15.167 5.069 113 H2* C 11 H2* C 11 -5.448 13.731 5.226 114 2HO* C 11 2HO* C 11 -6.501 13.722 7.284 115 H1* C 11 H1* C 11 -7.323 11.388 4.871 116 1H4 C 11 1H4 C 11 -1.936 8.027 4.484 117 2H4 C 11 2H4 C 11 -1.083 9.356 3.735 118 H5 C 11 H5 C 11 -2.138 11.530 3.298 119 H6 C 11 H6 C 11 -4.180 12.802 3.476 120 1H5* C 12 1H5* C 12 -11.075 12.018 5.046 121 2H5* C 12 2H5* C 12 -12.315 13.155 4.442 122 H4* C 12 H4* C 12 -13.643 11.629 5.543 123 H3* C 12 H3* C 12 -13.644 13.989 6.884 124 H2* C 12 H2* C 12 -11.777 13.442 8.294 125 2HO* C 12 2HO* C 12 -12.678 12.827 10.372 126 H1* C 12 H1* C 12 -12.977 10.720 8.869 127 1H4 C 12 1H4 C 12 -7.142 9.839 11.275 128 2H4 C 12 2H4 C 12 -6.399 10.429 9.807 129 H5 C 12 H5 C 12 -7.697 11.305 7.912 130 H6 C 12 H6 C 12 -9.929 11.760 7.111 131 1H5* U 13 1H5* U 13 -17.621 10.598 5.048 132 2H5* U 13 2H5* U 13 -16.942 9.013 5.489 133 H4* U 13 H4* U 13 -15.951 10.894 3.351 134 H3* U 13 H3* U 13 -17.924 9.221 2.823 135 H2* U 13 H2* U 13 -16.966 7.443 4.178 136 2HO* U 13 2HO* U 13 -16.208 5.849 2.588 137 H1* U 13 H1* U 13 -14.412 7.681 2.587 138 H3 U 13 H3 U 13 -12.954 4.243 5.270 139 H5 U 13 H5 U 13 -14.094 7.319 7.929 140 H6 U 13 H6 U 13 -14.958 8.519 6.064 141 1H5* C 14 1H5* C 14 -13.579 12.717 1.359 142 2H5* C 14 2H5* C 14 -13.915 12.138 -0.294 143 H4* C 14 H4* C 14 -11.554 12.122 -0.104 144 H3* C 14 H3* C 14 -12.495 9.305 0.526 145 H2* C 14 H2* C 14 -10.198 8.677 0.622 146 2HO* C 14 2HO* C 14 -8.572 10.117 -0.140 147 H1* C 14 H1* C 14 -9.389 11.117 1.785 148 1H4 C 14 1H4 C 14 -9.366 6.722 6.412 149 2H4 C 14 2H4 C 14 -11.036 7.097 6.762 150 H5 C 14 H5 C 14 -12.360 8.634 5.389 151 H6 C 14 H6 C 14 -12.339 10.060 3.440 152 1H5* A 15 1H5* A 15 -9.231 9.015 -2.437 153 2H5* A 15 2H5* A 15 -9.700 7.681 -3.518 154 H4* A 15 H4* A 15 -7.410 7.557 -2.289 155 H3* A 15 H3* A 15 -9.403 5.289 -2.313 156 H2* A 15 H2* A 15 -7.901 3.938 -1.012 157 2HO* A 15 2HO* A 15 -5.782 4.768 -0.534 158 H1* A 15 H1* A 15 -7.295 5.913 0.768 159 H8 A 15 H8 A 15 -10.772 5.965 -0.735 160 1H6 A 15 1H6 A 15 -12.401 2.650 4.316 161 2H6 A 15 2H6 A 15 -13.033 3.457 2.894 162 H2 A 15 H2 A 15 -7.946 3.238 4.249 163 1H5* C 16 1H5* C 16 -5.906 3.403 -3.406 164 2H5* C 16 2H5* C 16 -6.161 2.188 -4.688 165 H4* C 16 H4* C 16 -5.194 1.239 -2.601 166 H3* C 16 H3* C 16 -7.986 0.309 -3.319 167 H2* C 16 H2* C 16 -7.822 -1.260 -1.519 168 2HO* C 16 2HO* C 16 -5.799 -1.475 -0.394 169 H1* C 16 H1* C 16 -6.605 0.563 0.193 170 1H4 C 16 1H4 C 16 -12.777 0.664 1.738 171 2H4 C 16 2H4 C 16 -13.121 1.767 0.420 172 H5 C 16 H5 C 16 -11.420 2.452 -1.221 173 H6 C 16 H6 C 16 -9.105 2.190 -1.881 174 1H5* G 17 1H5* G 17 -5.010 -2.938 -3.046 175 2H5* G 17 2H5* G 17 -5.334 -4.210 -4.251 176 H4* G 17 H4* G 17 -4.887 -5.090 -1.962 177 H3* G 17 H3* G 17 -7.654 -5.566 -3.093 178 H2* G 17 H2* G 17 -8.138 -6.910 -1.160 179 2HO* G 17 2HO* G 17 -6.458 -7.286 0.388 180 H1* G 17 H1* G 17 -7.118 -5.076 0.593 181 H8 G 17 H8 G 17 -8.565 -2.965 -2.135 182 H1 G 17 H1 G 17 -13.070 -5.529 1.610 183 1H2 G 17 1H2 G 17 -12.193 -7.090 2.905 184 2H2 G 17 2H2 G 17 -10.493 -7.498 2.851 185 1H5* G 18 1H5* G 18 -6.394 -9.234 -1.749 186 2H5* G 18 2H5* G 18 -6.778 -10.548 -2.893 187 H4* G 18 H4* G 18 -7.659 -10.912 -0.578 188 H3* G 18 H3* G 18 -9.705 -10.603 -2.791 189 H2* G 18 H2* G 18 -11.394 -11.169 -1.197 190 2HO* G 18 2HO* G 18 -10.260 -12.875 -0.131 191 H1* G 18 H1* G 18 -10.219 -9.668 0.851 192 H8 G 18 H8 G 18 -10.022 -7.560 -2.241 193 H1 G 18 H1 G 18 -15.917 -7.723 0.256 194 1H2 G 18 1H2 G 18 -16.053 -9.307 1.795 195 2H2 G 18 2H2 G 18 -14.692 -10.327 2.202 196 1H5* G 19 1H5* G 19 -11.905 -14.468 -4.585 197 2H5* G 19 2H5* G 19 -12.184 -12.717 -4.780 198 H4* G 19 H4* G 19 -13.506 -14.594 -2.800 199 H3* G 19 H3* G 19 -14.584 -12.943 -5.102 200 H2* G 19 H2* G 19 -16.692 -12.891 -3.936 201 2HO* G 19 2HO* G 19 -16.927 -14.059 -1.983 202 H1* G 19 H1* G 19 -15.532 -12.183 -1.570 203 H8 G 19 H8 G 19 -13.680 -10.837 -4.661 204 H1 G 19 H1 G 19 -18.419 -7.085 -2.571 205 1H2 G 19 1H2 G 19 -19.556 -8.108 -0.991 206 2H2 G 19 2H2 G 19 -19.143 -9.712 -0.432 207 1H5* U 20 1H5* U 20 -16.476 -12.504 -7.465 208 2H5* U 20 2H5* U 20 -16.452 -13.394 -5.924 209 H4* U 20 H4* U 20 -17.282 -14.646 -8.549 210 H3* U 20 H3* U 20 -18.997 -13.350 -6.419 211 H2* U 20 H2* U 20 -20.674 -14.976 -6.835 212 2HO* U 20 2HO* U 20 -20.572 -16.295 -8.712 213 H1* U 20 H1* U 20 -18.815 -17.051 -7.339 214 H3 U 20 H3 U 20 -21.031 -18.602 -3.734 215 H5 U 20 H5 U 20 -18.777 -15.404 -2.200 216 H6 U 20 H6 U 20 -18.114 -14.861 -4.488 217 1H5* G 21 1H5* G 21 -21.103 -10.492 -6.501 218 2H5* G 21 2H5* G 21 -19.968 -11.655 -5.763 219 H4* G 21 H4* G 21 -22.947 -11.776 -5.287 220 H3* G 21 H3* G 21 -20.869 -10.250 -3.708 221 H2* G 21 H2* G 21 -22.109 -10.757 -1.736 222 2HO* G 21 2HO* G 21 -24.142 -11.636 -3.549 223 H1* G 21 H1* G 21 -22.702 -13.357 -2.532 224 H8 G 21 H8 G 21 -19.204 -11.682 -2.873 225 H1 G 21 H1 G 21 -19.843 -15.753 2.010 226 1H2 G 21 1H2 G 21 -21.915 -16.519 2.106 227 2H2 G 21 2H2 G 21 -23.144 -16.027 0.966 228 1H5* A 22 1H5* A 22 -24.193 -6.352 -1.365 229 2H5* A 22 2H5* A 22 -22.713 -7.271 -0.980 230 H4* A 22 H4* A 22 -25.592 -8.060 -0.505 231 H3* A 22 H3* A 22 -23.184 -7.708 1.284 232 H2* A 22 H2* A 22 -24.121 -9.325 2.789 233 2HO* A 22 2HO* A 22 -26.371 -9.308 1.010 234 H1* A 22 H1* A 22 -24.621 -11.112 0.820 235 H8 A 22 H8 A 22 -21.611 -9.280 -0.435 236 1H6 A 22 1H6 A 22 -18.189 -12.740 3.368 237 2H6 A 22 2H6 A 22 -18.156 -11.605 2.038 238 H2 A 22 H2 A 22 -22.491 -13.355 4.403 239 1H5* C 23 1H5* C 23 -24.272 -7.393 3.772 240 2H5* C 23 2H5* C 23 -23.763 -6.245 5.034 241 H4* C 23 H4* C 23 -22.554 -8.447 5.057 242 H3* C 23 H3* C 23 -20.903 -5.968 4.533 243 H2* C 23 H2* C 23 -18.956 -7.358 4.703 244 2HO* C 23 2HO* C 23 -19.152 -9.530 5.359 245 H1* C 23 H1* C 23 -20.048 -9.366 3.149 246 1H4 C 23 1H4 C 23 -16.764 -5.561 -0.805 247 2H4 C 23 2H4 C 23 -18.196 -4.588 -1.063 248 H5 C 23 H5 C 23 -20.284 -4.934 0.186 249 H6 C 23 H6 C 23 -21.371 -6.280 1.881 250 1H5* C 24 1H5* C 24 -19.203 -7.963 7.898 251 2H5* C 24 2H5* C 24 -18.446 -6.803 9.024 252 H4* C 24 H4* C 24 -16.899 -8.582 8.132 253 H3* C 24 H3* C 24 -16.239 -5.709 7.429 254 H2* C 24 H2* C 24 -14.158 -6.541 6.563 255 2HO* C 24 2HO* C 24 -13.619 -8.758 6.841 256 H1* C 24 H1* C 24 -15.374 -8.691 5.299 257 1H4 C 24 1H4 C 24 -14.900 -4.077 0.910 258 2H4 C 24 2H4 C 24 -16.385 -3.352 1.485 259 H5 C 24 H5 C 24 -17.584 -4.168 3.467 260 H6 C 24 H6 C 24 -17.571 -5.812 5.231 261 1H5* G 25 1H5* G 25 -12.943 -7.525 9.267 262 2H5* G 25 2H5* G 25 -11.970 -6.412 10.260 263 H4* G 25 H4* G 25 -10.720 -7.660 8.443 264 H3* G 25 H3* G 25 -10.735 -4.634 8.394 265 H2* G 25 H2* G 25 -9.178 -4.737 6.575 266 2HO* G 25 2HO* G 25 -8.363 -6.794 5.904 267 H1* G 25 H1* G 25 -10.574 -6.685 5.242 268 H8 G 25 H8 G 25 -13.379 -4.733 6.643 269 H1 G 25 H1 G 25 -10.277 -1.438 2.104 270 1H2 G 25 1H2 G 25 -8.337 -2.408 1.664 271 2H2 G 25 2H2 G 25 -7.813 -3.866 2.475 272 1H5* U 26 1H5* U 26 -6.838 -5.329 7.929 273 2H5* U 26 2H5* U 26 -5.829 -4.256 8.935 274 H4* U 26 H4* U 26 -5.476 -4.114 6.414 275 H3* U 26 H3* U 26 -6.242 -1.637 7.971 276 H2* U 26 H2* U 26 -6.018 -0.363 5.974 277 2HO* U 26 2HO* U 26 -4.991 -1.222 4.143 278 H1* U 26 H1* U 26 -7.082 -2.360 4.314 279 H3 U 26 H3 U 26 -9.626 1.540 4.467 280 H5 U 26 H5 U 26 -11.267 -1.136 7.270 281 H6 U 26 H6 U 26 -9.305 -2.530 6.985 282 1H5* G 27 1H5* G 27 -2.601 -1.459 5.603 283 2H5* G 27 2H5* G 27 -1.358 -0.332 6.203 284 H4* G 27 H4* G 27 -2.465 -0.246 3.716 285 H3* G 27 H3* G 27 -0.581 1.329 4.945 286 H2* G 27 H2* G 27 -2.172 2.662 6.107 287 2HO* G 27 2HO* G 27 -2.353 4.662 4.942 288 H1* G 27 H1* G 27 -3.804 2.839 3.556 289 H8 G 27 H8 G 27 -4.536 1.831 7.208 290 H1 G 27 H1 G 27 -7.848 6.845 5.037 291 1H2 G 27 1H2 G 27 -7.176 7.384 3.001 292 2H2 G 27 2H2 G 27 -5.917 6.494 2.176 293 1H5* G 28 1H5* G 28 -1.676 2.914 0.179 294 2H5* G 28 2H5* G 28 -1.959 1.460 -0.809 295 H4* G 28 H4* G 28 -0.737 2.725 -2.277 296 H3* G 28 H3* G 28 1.225 1.119 -0.660 297 H2* G 28 H2* G 28 3.082 2.246 -1.601 298 2HO* G 28 2HO* G 28 2.760 3.742 -3.337 299 H1* G 28 H1* G 28 2.101 4.729 -1.392 300 H8 G 28 H8 G 28 0.575 3.023 1.593 301 H1 G 28 H1 G 28 6.772 4.366 2.417 302 1H2 G 28 1H2 G 28 7.697 4.956 0.501 303 2H2 G 28 2H2 G 28 6.785 5.024 -0.992 304 1H5* U 29 1H5* U 29 2.641 0.685 -4.656 305 2H5* U 29 2H5* U 29 3.220 -0.977 -4.955 306 H4* U 29 H4* U 29 4.950 0.773 -5.361 307 H3* U 29 H3* U 29 5.483 -1.132 -3.069 308 H2* U 29 H2* U 29 7.630 -0.140 -2.868 309 2HO* U 29 2HO* U 29 8.431 1.258 -4.473 310 H1* U 29 H1* U 29 6.706 2.445 -3.386 311 H3 U 29 H3 U 29 8.316 2.092 0.975 312 H5 U 29 H5 U 29 4.316 0.766 1.097 313 H6 U 29 H6 U 29 4.288 0.832 -1.311 314 1H5* C 30 1H5* C 30 8.952 -1.115 -5.518 315 2H5* C 30 2H5* C 30 9.814 -2.671 -5.384 316 H4* C 30 H4* C 30 10.985 -0.477 -4.575 317 H3* C 30 H3* C 30 10.872 -3.001 -2.916 318 H2* C 30 H2* C 30 12.227 -1.922 -1.274 319 2HO* C 30 2HO* C 30 13.212 0.091 -1.723 320 H1* C 30 H1* C 30 10.919 0.520 -1.476 321 1H4 C 30 1H4 C 30 8.421 -2.739 3.479 322 2H4 C 30 2H4 C 30 7.028 -3.073 2.476 323 H5 C 30 H5 C 30 6.933 -2.519 0.093 324 H6 C 30 H6 C 30 8.159 -1.555 -1.747 325 1H5* C 31 1H5* C 31 14.770 -1.923 -2.604 326 2H5* C 31 2H5* C 31 15.843 -3.269 -3.070 327 H4* C 31 H4* C 31 16.501 -2.423 -0.892 328 H3* C 31 H3* C 31 15.075 -5.087 -0.752 329 H2* C 31 H2* C 31 15.553 -5.145 1.593 330 2HO* C 31 2HO* C 31 16.863 -3.475 2.518 331 H1* C 31 H1* C 31 14.842 -2.522 1.996 332 1H4 C 31 1H4 C 31 9.557 -5.943 3.062 333 2H4 C 31 2H4 C 31 9.104 -5.767 1.381 334 H5 C 31 H5 C 31 10.572 -4.729 -0.292 335 H6 C 31 H6 C 31 12.722 -3.685 -0.628 336 1H5* U 32 1H5* U 32 17.933 -6.077 1.789 337 2H5* U 32 2H5* U 32 18.979 -7.243 0.943 338 H4* U 32 H4* U 32 18.582 -8.248 3.012 339 H3* U 32 H3* U 32 16.522 -9.322 1.081 340 H2* U 32 H2* U 32 15.777 -10.778 2.803 341 2HO* U 32 2HO* U 32 17.981 -9.780 4.329 342 H1* U 32 H1* U 32 15.742 -8.887 4.714 343 H3 U 32 H3 U 32 11.466 -9.747 3.611 344 H5 U 32 H5 U 32 12.724 -6.955 0.748 345 H6 U 32 H6 U 32 15.010 -7.212 1.600 346 1H5* C 33 1H5* C 33 18.383 -12.555 3.221 347 2H5* C 33 2H5* C 33 18.374 -14.051 2.255 348 H4* C 33 H4* C 33 17.233 -14.218 4.501 349 H3* C 33 H3* C 33 15.523 -14.689 2.045 350 H2* C 33 H2* C 33 13.794 -15.385 3.538 351 2HO* C 33 2HO* C 33 15.721 -15.104 5.632 352 H1* C 33 H1* C 33 14.221 -13.310 5.302 353 1H4 C 33 1H4 C 33 9.589 -11.354 1.374 354 2H4 C 33 2H4 C 33 10.779 -10.793 0.219 355 H5 C 33 H5 C 33 13.197 -11.170 0.501 356 H6 C 33 H6 C 33 14.870 -12.164 1.934 357 1H5* C 34 1H5* C 34 15.024 -17.924 4.862 358 2H5* C 34 2H5* C 34 14.806 -19.438 3.953 359 H4* C 34 H4* C 34 12.989 -18.916 5.624 360 H3* C 34 H3* C 34 12.218 -19.156 2.705 361 H2* C 34 H2* C 34 9.932 -18.997 3.381 362 2HO* C 34 2HO* C 34 10.266 -20.368 5.311 363 H1* C 34 H1* C 34 10.425 -17.006 5.272 364 1H4 C 34 1H4 C 34 8.437 -14.035 -0.025 365 2H4 C 34 2H4 C 34 10.085 -13.963 -0.612 366 H5 C 34 H5 C 34 11.963 -15.066 0.536 367 H6 C 34 H6 C 34 12.575 -16.415 2.444 Start of MODEL 10 1 1H5* G 1 1H5* G 1 -3.948 -7.198 3.251 2 2H5* G 1 2H5* G 1 -2.830 -7.716 1.989 3 H4* G 1 H4* G 1 -4.040 -9.522 4.095 4 H3* G 1 H3* G 1 -1.279 -8.297 3.886 5 H2* G 1 H2* G 1 -0.416 -10.249 4.954 6 2HO* G 1 2HO* G 1 -1.801 -11.802 5.843 7 H1* G 1 H1* G 1 -1.901 -11.985 3.449 8 H8 G 1 H8 G 1 -0.924 -9.211 1.125 9 H1 G 1 H1 G 1 3.930 -13.189 2.355 10 1H2 G 1 1H2 G 1 3.418 -14.522 4.042 11 2H2 G 1 2H2 G 1 1.873 -14.439 4.860 12 1H5* G 2 1H5* G 2 -1.542 -9.684 7.986 13 2H5* G 2 2H5* G 2 -0.588 -8.572 9.006 14 H4* G 2 H4* G 2 0.098 -11.049 8.990 15 H3* G 2 H3* G 2 2.129 -8.913 8.292 16 H2* G 2 H2* G 2 3.784 -10.635 8.256 17 2HO* G 2 2HO* G 2 3.063 -11.779 10.135 18 H1* G 2 H1* G 2 2.108 -12.482 6.999 19 H8 G 2 H8 G 2 1.430 -9.489 4.991 20 H1 G 2 H1 G 2 7.402 -11.554 4.012 21 1H2 G 2 1H2 G 2 7.975 -13.018 5.565 22 2H2 G 2 2H2 G 2 6.884 -13.490 6.850 23 1H5* A 3 1H5* A 3 4.046 -10.985 11.844 24 2H5* A 3 2H5* A 3 4.469 -9.590 12.874 25 H4* A 3 H4* A 3 6.401 -11.037 12.666 26 H3* A 3 H3* A 3 6.674 -8.542 10.971 27 H2* A 3 H2* A 3 8.951 -9.222 10.537 28 2HO* A 3 2HO* A 3 9.761 -11.115 11.555 29 H1* A 3 H1* A 3 8.213 -11.774 9.902 30 H8 A 3 H8 A 3 5.324 -9.654 8.783 31 1H6 A 3 1H6 A 3 8.649 -8.240 3.769 32 2H6 A 3 2H6 A 3 7.070 -8.160 4.515 33 H2 A 3 H2 A 3 11.323 -10.329 6.704 34 1H5* G 4 1H5* G 4 10.118 -8.484 13.315 35 2H5* G 4 2H5* G 4 10.463 -6.850 13.937 36 H4* G 4 H4* G 4 12.393 -7.822 12.740 37 H3* G 4 H3* G 4 11.088 -5.484 11.323 38 H2* G 4 H2* G 4 12.917 -5.554 9.764 39 2HO* G 4 2HO* G 4 14.602 -6.094 11.256 40 H1* G 4 H1* G 4 12.747 -8.273 9.457 41 H8 G 4 H8 G 4 9.202 -7.226 9.944 42 H1 G 4 H1 G 4 11.452 -5.621 4.181 43 1H2 G 4 1H2 G 4 13.648 -5.853 4.129 44 2H2 G 4 2H2 G 4 14.558 -6.416 5.511 45 1H5* G 5 1H5* G 5 15.331 -3.844 11.804 46 2H5* G 5 2H5* G 5 14.970 -2.181 12.337 47 H4* G 5 H4* G 5 16.508 -2.363 10.341 48 H3* G 5 H3* G 5 13.878 -0.898 9.989 49 H2* G 5 H2* G 5 14.610 -0.281 7.786 50 2HO* G 5 2HO* G 5 16.723 -0.682 7.117 51 H1* G 5 H1* G 5 15.493 -2.806 7.174 52 H8 G 5 H8 G 5 12.481 -3.464 9.283 53 H1 G 5 H1 G 5 10.916 -1.334 3.461 54 1H2 G 5 1H2 G 5 12.707 -0.562 2.414 55 2H2 G 5 2H2 G 5 14.290 -0.561 3.159 56 1H5* A 6 1H5* A 6 17.188 2.092 8.737 57 2H5* A 6 2H5* A 6 16.432 3.668 9.101 58 H4* A 6 H4* A 6 17.232 3.182 6.671 59 H3* A 6 H3* A 6 14.441 4.201 7.265 60 H2* A 6 H2* A 6 14.109 4.388 4.900 61 2HO* A 6 2HO* A 6 15.857 3.989 3.468 62 H1* A 6 H1* A 6 15.200 1.940 4.362 63 H8 A 6 H8 A 6 13.328 1.585 7.625 64 1H6 A 6 1H6 A 6 8.169 1.005 4.279 65 2H6 A 6 2H6 A 6 8.871 0.856 5.872 66 H2 A 6 H2 A 6 11.469 2.299 1.539 67 1H5* C 7 1H5* C 7 16.014 6.625 4.165 68 2H5* C 7 2H5* C 7 15.366 8.281 4.290 69 H4* C 7 H4* C 7 14.864 7.046 2.127 70 H3* C 7 H3* C 7 12.524 7.987 3.797 71 H2* C 7 H2* C 7 11.119 7.379 1.936 72 2HO* C 7 2HO* C 7 12.535 8.023 0.225 73 H1* C 7 H1* C 7 12.368 4.957 1.613 74 1H4 C 7 1H4 C 7 7.512 4.012 5.671 75 2H4 C 7 2H4 C 7 8.600 4.270 7.019 76 H5 C 7 H5 C 7 10.930 4.998 6.733 77 H6 C 7 H6 C 7 12.603 5.609 5.102 78 1H5* A 8 1H5* A 8 11.699 10.192 -0.046 79 2H5* A 8 2H5* A 8 10.833 11.647 0.519 80 H4* A 8 H4* A 8 9.593 10.034 -1.073 81 H3* A 8 H3* A 8 8.371 10.878 1.569 82 H2* A 8 H2* A 8 6.370 9.708 0.898 83 2HO* A 8 2HO* A 8 6.268 8.729 -1.161 84 H1* A 8 H1* A 8 7.704 7.474 0.221 85 H8 A 8 H8 A 8 9.965 8.380 2.906 86 1H6 A 8 1H6 A 8 5.578 7.031 7.055 87 2H6 A 8 2H6 A 8 7.281 7.352 6.824 88 H2 A 8 H2 A 8 3.666 7.323 3.017 89 1H5* U 9 1H5* U 9 5.570 10.974 -0.821 90 2H5* U 9 2H5* U 9 4.789 12.535 -1.169 91 H4* U 9 H4* U 9 3.170 10.703 -0.831 92 H3* U 9 H3* U 9 3.132 13.158 0.750 93 H2* U 9 H2* U 9 2.335 12.264 2.747 94 2HO* U 9 2HO* U 9 0.592 10.574 1.319 95 H1* U 9 H1* U 9 2.307 9.484 2.167 96 H3 U 9 H3 U 9 3.325 10.359 6.590 97 H5 U 9 H5 U 9 6.863 10.934 4.399 98 H6 U 9 H6 U 9 5.586 10.729 2.388 99 1H5* U 10 1H5* U 10 -2.361 11.588 -1.335 100 2H5* U 10 2H5* U 10 -1.288 12.983 -1.085 101 H4* U 10 H4* U 10 -3.424 11.871 0.747 102 H3* U 10 H3* U 10 -3.602 14.039 -0.898 103 H2* U 10 H2* U 10 -1.572 15.020 -0.010 104 2HO* U 10 2HO* U 10 -3.754 16.174 1.395 105 H1* U 10 H1* U 10 -2.738 14.519 2.729 106 H3 U 10 H3 U 10 0.756 16.303 4.948 107 H5 U 10 H5 U 10 2.544 14.672 1.505 108 H6 U 10 H6 U 10 0.356 13.950 0.780 109 1H5* C 11 1H5* C 11 -8.111 11.910 0.799 110 2H5* C 11 2H5* C 11 -9.010 13.281 1.504 111 H4* C 11 H4* C 11 -9.217 11.324 2.928 112 H3* C 11 H3* C 11 -8.304 13.798 3.970 113 H2* C 11 H2* C 11 -6.087 13.034 4.316 114 2HO* C 11 2HO* C 11 -6.930 13.458 6.419 115 H1* C 11 H1* C 11 -7.247 10.318 4.987 116 1H4 C 11 1H4 C 11 -1.264 8.182 4.656 117 2H4 C 11 2H4 C 11 -0.707 9.674 3.932 118 H5 C 11 H5 C 11 -2.219 11.524 3.379 119 H6 C 11 H6 C 11 -4.511 12.277 3.417 120 1H5* C 12 1H5* C 12 -11.186 10.272 4.787 121 2H5* C 12 2H5* C 12 -12.750 11.042 4.392 122 H4* C 12 H4* C 12 -13.465 9.231 5.630 123 H3* C 12 H3* C 12 -13.889 11.532 7.024 124 H2* C 12 H2* C 12 -11.780 11.471 8.174 125 2HO* C 12 2HO* C 12 -13.580 10.072 9.872 126 H1* C 12 H1* C 12 -12.203 8.530 8.782 127 1H4 C 12 1H4 C 12 -6.084 8.946 10.485 128 2H4 C 12 2H4 C 12 -5.709 9.960 9.113 129 H5 C 12 H5 C 12 -7.410 10.706 7.499 130 H6 C 12 H6 C 12 -9.760 10.601 6.938 131 1H5* U 13 1H5* U 13 -17.110 7.913 5.095 132 2H5* U 13 2H5* U 13 -15.559 7.477 5.841 133 H4* U 13 H4* U 13 -15.339 9.010 3.360 134 H3* U 13 H3* U 13 -17.259 7.252 2.902 135 H2* U 13 H2* U 13 -16.197 5.554 4.298 136 2HO* U 13 2HO* U 13 -15.412 3.948 2.708 137 H1* U 13 H1* U 13 -13.718 5.867 2.600 138 H3 U 13 H3 U 13 -12.220 2.360 5.231 139 H5 U 13 H5 U 13 -12.922 5.577 7.873 140 H6 U 13 H6 U 13 -13.922 6.758 6.067 141 1H5* C 14 1H5* C 14 -13.243 10.978 1.176 142 2H5* C 14 2H5* C 14 -13.593 10.328 -0.447 143 H4* C 14 H4* C 14 -11.223 10.552 -0.322 144 H3* C 14 H3* C 14 -11.913 7.658 0.280 145 H2* C 14 H2* C 14 -9.566 7.216 0.293 146 2HO* C 14 2HO* C 14 -8.086 8.772 -0.490 147 H1* C 14 H1* C 14 -8.926 9.667 1.513 148 1H4 C 14 1H4 C 14 -8.554 5.168 6.023 149 2H4 C 14 2H4 C 14 -10.231 5.452 6.414 150 H5 C 14 H5 C 14 -11.656 6.943 5.110 151 H6 C 14 H6 C 14 -11.760 8.412 3.203 152 1H5* A 15 1H5* A 15 -8.741 7.668 -2.666 153 2H5* A 15 2H5* A 15 -9.112 6.379 -3.834 154 H4* A 15 H4* A 15 -6.821 6.297 -2.674 155 H3* A 15 H3* A 15 -8.707 3.941 -2.630 156 H2* A 15 H2* A 15 -7.095 2.657 -1.400 157 2HO* A 15 2HO* A 15 -4.986 3.471 -1.079 158 H1* A 15 H1* A 15 -6.472 4.667 0.346 159 H8 A 15 H8 A 15 -10.047 4.546 -0.916 160 1H6 A 15 1H6 A 15 -11.173 1.154 4.211 161 2H6 A 15 2H6 A 15 -11.932 1.937 2.840 162 H2 A 15 H2 A 15 -6.758 1.931 3.844 163 1H5* C 16 1H5* C 16 -5.137 2.280 -3.972 164 2H5* C 16 2H5* C 16 -5.394 1.079 -5.267 165 H4* C 16 H4* C 16 -4.230 0.128 -3.299 166 H3* C 16 H3* C 16 -7.031 -0.915 -3.785 167 H2* C 16 H2* C 16 -6.627 -2.518 -2.047 168 2HO* C 16 2HO* C 16 -4.544 -2.718 -1.134 169 H1* C 16 H1* C 16 -5.428 -0.658 -0.385 170 1H4 C 16 1H4 C 16 -11.520 -0.780 1.460 171 2H4 C 16 2H4 C 16 -11.968 0.304 0.160 172 H5 C 16 H5 C 16 -10.381 1.038 -1.565 173 H6 C 16 H6 C 16 -8.096 0.867 -2.336 174 1H5* G 17 1H5* G 17 -4.245 -4.203 -3.917 175 2H5* G 17 2H5* G 17 -4.693 -5.411 -5.149 176 H4* G 17 H4* G 17 -4.288 -6.414 -2.920 177 H3* G 17 H3* G 17 -7.136 -6.545 -3.934 178 H2* G 17 H2* G 17 -7.672 -7.905 -2.023 179 2HO* G 17 2HO* G 17 -5.994 -8.542 -0.587 180 H1* G 17 H1* G 17 -6.392 -6.248 -0.268 181 H8 G 17 H8 G 17 -7.715 -3.896 -2.856 182 H1 G 17 H1 G 17 -12.314 -6.123 0.986 183 1H2 G 17 1H2 G 17 -11.560 -7.830 2.176 184 2H2 G 17 2H2 G 17 -9.916 -8.409 2.032 185 1H5* G 18 1H5* G 18 -6.314 -10.341 -2.762 186 2H5* G 18 2H5* G 18 -6.842 -11.555 -3.955 187 H4* G 18 H4* G 18 -7.752 -11.935 -1.662 188 H3* G 18 H3* G 18 -9.771 -11.264 -3.817 189 H2* G 18 H2* G 18 -11.493 -11.724 -2.224 190 2HO* G 18 2HO* G 18 -10.548 -13.611 -1.283 191 H1* G 18 H1* G 18 -10.112 -10.498 -0.115 192 H8 G 18 H8 G 18 -9.774 -8.280 -3.134 193 H1 G 18 H1 G 18 -15.510 -7.806 -0.324 194 1H2 G 18 1H2 G 18 -15.771 -9.426 1.161 195 2H2 G 18 2H2 G 18 -14.532 -10.624 1.457 196 1H5* G 19 1H5* G 19 -12.634 -14.760 -5.510 197 2H5* G 19 2H5* G 19 -12.674 -12.977 -5.524 198 H4* G 19 H4* G 19 -13.915 -14.707 -3.365 199 H3* G 19 H3* G 19 -15.206 -13.356 -5.749 200 H2* G 19 H2* G 19 -17.189 -13.125 -4.406 201 2HO* G 19 2HO* G 19 -17.309 -14.089 -2.366 202 H1* G 19 H1* G 19 -15.784 -12.185 -2.246 203 H8 G 19 H8 G 19 -14.436 -11.218 -5.730 204 H1 G 19 H1 G 19 -18.655 -7.109 -3.242 205 1H2 G 19 1H2 G 19 -19.484 -7.909 -1.373 206 2H2 G 19 2H2 G 19 -19.001 -9.459 -0.725 207 1H5* U 20 1H5* U 20 -16.975 -13.659 -8.377 208 2H5* U 20 2H5* U 20 -17.009 -13.798 -6.605 209 H4* U 20 H4* U 20 -19.101 -14.510 -8.620 210 H3* U 20 H3* U 20 -19.108 -13.309 -5.846 211 H2* U 20 H2* U 20 -21.371 -13.983 -5.594 212 2HO* U 20 2HO* U 20 -22.568 -14.718 -7.423 213 H1* U 20 H1* U 20 -21.029 -16.407 -6.987 214 H3 U 20 H3 U 20 -21.063 -18.817 -3.224 215 H5 U 20 H5 U 20 -19.103 -15.294 -2.027 216 H6 U 20 H6 U 20 -19.273 -14.495 -4.306 217 1H5* G 21 1H5* G 21 -22.112 -11.658 -6.528 218 2H5* G 21 2H5* G 21 -22.161 -9.879 -6.586 219 H4* G 21 H4* G 21 -23.769 -10.621 -4.963 220 H3* G 21 H3* G 21 -21.262 -9.533 -3.679 221 H2* G 21 H2* G 21 -22.238 -9.865 -1.539 222 2HO* G 21 2HO* G 21 -24.353 -9.142 -1.942 223 H1* G 21 H1* G 21 -23.357 -12.307 -2.137 224 H8 G 21 H8 G 21 -19.793 -11.351 -3.372 225 H1 G 21 H1 G 21 -19.994 -14.995 1.873 226 1H2 G 21 1H2 G 21 -22.089 -15.320 2.502 227 2H2 G 21 2H2 G 21 -23.441 -14.637 1.631 228 1H5* A 22 1H5* A 22 -23.742 -5.158 -0.949 229 2H5* A 22 2H5* A 22 -22.342 -6.239 -0.715 230 H4* A 22 H4* A 22 -25.214 -6.652 0.121 231 H3* A 22 H3* A 22 -22.560 -6.700 1.562 232 H2* A 22 H2* A 22 -23.519 -8.197 3.178 233 2HO* A 22 2HO* A 22 -25.672 -7.209 3.131 234 H1* A 22 H1* A 22 -24.544 -9.841 1.289 235 H8 A 22 H8 A 22 -21.480 -8.430 -0.336 236 1H6 A 22 1H6 A 22 -18.151 -12.496 2.902 237 2H6 A 22 2H6 A 22 -18.123 -11.326 1.602 238 H2 A 22 H2 A 22 -22.321 -12.518 4.503 239 1H5* C 23 1H5* C 23 -23.340 -6.316 4.212 240 2H5* C 23 2H5* C 23 -22.470 -5.351 5.426 241 H4* C 23 H4* C 23 -21.737 -7.763 5.196 242 H3* C 23 H3* C 23 -19.701 -5.587 4.674 243 H2* C 23 H2* C 23 -18.041 -7.314 4.541 244 2HO* C 23 2HO* C 23 -20.143 -9.062 5.404 245 H1* C 23 H1* C 23 -19.628 -8.965 2.995 246 1H4 C 23 1H4 C 23 -16.091 -5.586 -1.111 247 2H4 C 23 2H4 C 23 -17.292 -4.312 -1.112 248 H5 C 23 H5 C 23 -19.252 -4.328 0.371 249 H6 C 23 H6 C 23 -20.408 -5.566 2.101 250 1H5* C 24 1H5* C 24 -18.214 -8.226 7.641 251 2H5* C 24 2H5* C 24 -17.154 -7.408 8.819 252 H4* C 24 H4* C 24 -16.091 -9.348 7.623 253 H3* C 24 H3* C 24 -14.864 -6.617 7.167 254 H2* C 24 H2* C 24 -13.080 -7.746 6.025 255 2HO* C 24 2HO* C 24 -13.036 -10.055 6.002 256 H1* C 24 H1* C 24 -14.807 -9.424 4.653 257 1H4 C 24 1H4 C 24 -13.688 -4.472 0.772 258 2H4 C 24 2H4 C 24 -14.979 -3.570 1.531 259 H5 C 24 H5 C 24 -16.194 -4.384 3.499 260 H6 C 24 H6 C 24 -16.393 -6.204 5.070 261 1H5* G 25 1H5* G 25 -11.827 -9.130 8.399 262 2H5* G 25 2H5* G 25 -10.757 -8.368 9.603 263 H4* G 25 H4* G 25 -9.501 -9.322 7.703 264 H3* G 25 H3* G 25 -9.473 -6.301 7.884 265 H2* G 25 H2* G 25 -7.896 -6.291 6.080 266 2HO* G 25 2HO* G 25 -7.118 -8.312 5.257 267 H1* G 25 H1* G 25 -9.311 -8.100 4.586 268 H8 G 25 H8 G 25 -12.039 -6.163 6.209 269 H1 G 25 H1 G 25 -9.008 -2.721 1.744 270 1H2 G 25 1H2 G 25 -7.122 -3.721 1.164 271 2H2 G 25 2H2 G 25 -6.616 -5.240 1.869 272 1H5* U 26 1H5* U 26 -5.662 -6.928 7.306 273 2H5* U 26 2H5* U 26 -4.627 -6.022 8.441 274 H4* U 26 H4* U 26 -4.214 -5.531 6.004 275 H3* U 26 H3* U 26 -5.151 -3.255 7.767 276 H2* U 26 H2* U 26 -4.832 -1.783 5.915 277 2HO* U 26 2HO* U 26 -3.666 -2.430 4.093 278 H1* U 26 H1* U 26 -5.754 -3.646 4.020 279 H3 U 26 H3 U 26 -8.506 0.058 4.152 280 H5 U 26 H5 U 26 -10.001 -2.621 7.039 281 H6 U 26 H6 U 26 -7.999 -3.952 6.746 282 1H5* G 27 1H5* G 27 -1.442 -2.606 5.694 283 2H5* G 27 2H5* G 27 -0.293 -1.515 6.510 284 H4* G 27 H4* G 27 -1.376 -1.126 4.015 285 H3* G 27 H3* G 27 0.287 0.415 5.777 286 H2* G 27 H2* G 27 -1.243 2.077 6.260 287 2HO* G 27 2HO* G 27 0.049 3.159 4.695 288 H1* G 27 H1* G 27 -2.862 1.592 3.778 289 H8 G 27 H8 G 27 -3.540 1.016 7.523 290 H1 G 27 H1 G 27 -7.003 5.658 4.817 291 1H2 G 27 1H2 G 27 -6.354 5.996 2.734 292 2H2 G 27 2H2 G 27 -5.068 5.061 2.002 293 1H5* G 28 1H5* G 28 -1.736 3.456 0.796 294 2H5* G 28 2H5* G 28 -1.587 1.810 0.131 295 H4* G 28 H4* G 28 -0.423 3.394 -1.290 296 H3* G 28 H3* G 28 1.382 1.567 0.289 297 H2* G 28 H2* G 28 3.286 2.569 -0.714 298 2HO* G 28 2HO* G 28 3.047 4.066 -2.422 299 H1* G 28 H1* G 28 2.438 5.122 -0.422 300 H8 G 28 H8 G 28 1.141 3.287 2.608 301 H1 G 28 H1 G 28 7.347 4.737 3.012 302 1H2 G 28 1H2 G 28 8.104 5.419 1.055 303 2H2 G 28 2H2 G 28 7.075 5.528 -0.356 304 1H5* U 29 1H5* U 29 2.715 1.587 -3.910 305 2H5* U 29 2H5* U 29 3.189 -0.080 -4.337 306 H4* U 29 H4* U 29 4.947 1.627 -4.817 307 H3* U 29 H3* U 29 5.596 -0.434 -2.694 308 H2* U 29 H2* U 29 7.798 0.449 -2.645 309 2HO* U 29 2HO* U 29 8.542 1.849 -4.261 310 H1* U 29 H1* U 29 6.953 3.098 -3.000 311 H3 U 29 H3 U 29 9.007 2.632 1.156 312 H5 U 29 H5 U 29 5.040 1.298 1.680 313 H6 U 29 H6 U 29 4.748 1.444 -0.707 314 1H5* C 30 1H5* C 30 8.814 -0.498 -5.489 315 2H5* C 30 2H5* C 30 9.554 -2.121 -5.529 316 H4* C 30 H4* C 30 11.023 -0.143 -4.764 317 H3* C 30 H3* C 30 10.712 -2.625 -3.065 318 H2* C 30 H2* C 30 12.309 -1.721 -1.540 319 2HO* C 30 2HO* C 30 13.507 0.151 -2.093 320 H1* C 30 H1* C 30 11.319 0.874 -1.704 321 1H4 C 30 1H4 C 30 8.790 -1.814 3.539 322 2H4 C 30 2H4 C 30 7.358 -2.194 2.613 323 H5 C 30 H5 C 30 7.200 -1.851 0.195 324 H6 C 30 H6 C 30 8.390 -1.085 -1.759 325 1H5* C 31 1H5* C 31 14.721 -2.107 -2.912 326 2H5* C 31 2H5* C 31 15.530 -3.576 -3.522 327 H4* C 31 H4* C 31 16.503 -3.065 -1.398 328 H3* C 31 H3* C 31 14.458 -5.279 -1.120 329 H2* C 31 H2* C 31 15.157 -5.515 1.162 330 2HO* C 31 2HO* C 31 17.451 -5.089 0.685 331 H1* C 31 H1* C 31 15.137 -2.804 1.622 332 1H4 C 31 1H4 C 31 9.289 -4.798 3.204 333 2H4 C 31 2H4 C 31 8.769 -4.647 1.540 334 H5 C 31 H5 C 31 10.307 -4.086 -0.290 335 H6 C 31 H6 C 31 12.606 -3.571 -0.828 336 1H5* U 32 1H5* U 32 17.315 -7.157 1.010 337 2H5* U 32 2H5* U 32 17.836 -8.524 -0.005 338 H4* U 32 H4* U 32 17.478 -9.479 2.102 339 H3* U 32 H3* U 32 14.926 -9.832 0.519 340 H2* U 32 H2* U 32 14.109 -11.141 2.325 341 2HO* U 32 2HO* U 32 15.472 -11.691 4.067 342 H1* U 32 H1* U 32 14.934 -9.416 4.233 343 H3 U 32 H3 U 32 10.438 -9.209 3.868 344 H5 U 32 H5 U 32 11.852 -6.491 1.020 345 H6 U 32 H6 U 32 14.121 -7.357 1.412 346 1H5* C 33 1H5* C 33 16.027 -13.595 2.273 347 2H5* C 33 2H5* C 33 15.416 -14.939 1.278 348 H4* C 33 H4* C 33 14.603 -14.879 3.686 349 H3* C 33 H3* C 33 12.523 -14.728 1.487 350 H2* C 33 H2* C 33 10.883 -14.983 3.207 351 2HO* C 33 2HO* C 33 11.521 -15.406 5.359 352 H1* C 33 H1* C 33 12.107 -13.183 4.895 353 1H4 C 33 1H4 C 33 7.737 -9.903 1.583 354 2H4 C 33 2H4 C 33 8.916 -9.579 0.329 355 H5 C 33 H5 C 33 11.175 -10.567 0.331 356 H6 C 33 H6 C 33 12.665 -12.044 1.529 357 1H5* C 34 1H5* C 34 11.472 -17.810 4.328 358 2H5* C 34 2H5* C 34 10.727 -19.158 3.439 359 H4* C 34 H4* C 34 9.363 -18.216 5.351 360 H3* C 34 H3* C 34 8.181 -18.156 2.563 361 H2* C 34 H2* C 34 6.130 -17.410 3.541 362 2HO* C 34 2HO* C 34 6.364 -18.878 5.428 363 H1* C 34 H1* C 34 7.386 -15.672 5.322 364 1H4 C 34 1H4 C 34 5.576 -12.201 0.261 365 2H4 C 34 2H4 C 34 7.138 -12.477 -0.480 366 H5 C 34 H5 C 34 8.820 -14.001 0.473 367 H6 C 34 H6 C 34 9.287 -15.511 2.299 Start of MODEL 11 1 1H5* G 1 1H5* G 1 -2.221 -9.463 2.363 2 2H5* G 1 2H5* G 1 -0.969 -9.712 1.146 3 H4* G 1 H4* G 1 -2.010 -11.834 3.037 4 H3* G 1 H3* G 1 0.543 -10.207 3.097 5 H2* G 1 H2* G 1 1.627 -12.092 4.085 6 2HO* G 1 2HO* G 1 0.457 -13.872 4.802 7 H1* G 1 H1* G 1 0.521 -13.896 2.357 8 H8 G 1 H8 G 1 1.169 -10.818 0.318 9 H1 G 1 H1 G 1 6.519 -14.088 1.568 10 1H2 G 1 1H2 G 1 6.133 -15.629 3.102 11 2H2 G 1 2H2 G 1 4.551 -15.863 3.814 12 1H5* G 2 1H5* G 2 0.267 -11.907 7.080 13 2H5* G 2 2H5* G 2 0.971 -10.734 8.227 14 H4* G 2 H4* G 2 2.042 -13.062 8.129 15 H3* G 2 H3* G 2 3.747 -10.602 7.658 16 H2* G 2 H2* G 2 5.653 -12.043 7.630 17 2HO* G 2 2HO* G 2 5.451 -14.237 8.245 18 H1* G 2 H1* G 2 4.363 -14.037 6.169 19 H8 G 2 H8 G 2 3.286 -11.042 4.333 20 H1 G 2 H1 G 2 9.539 -12.089 3.501 21 1H2 G 2 1H2 G 2 10.278 -13.557 4.981 22 2H2 G 2 2H2 G 2 9.229 -14.280 6.181 23 1H5* A 3 1H5* A 3 5.809 -12.560 11.169 24 2H5* A 3 2H5* A 3 5.959 -11.192 12.305 25 H4* A 3 H4* A 3 8.105 -12.296 12.108 26 H3* A 3 H3* A 3 8.040 -9.681 10.581 27 H2* A 3 H2* A 3 10.411 -9.961 10.218 28 2HO* A 3 2HO* A 3 11.474 -11.773 11.160 29 H1* A 3 H1* A 3 10.122 -12.553 9.401 30 H8 A 3 H8 A 3 6.979 -10.838 8.266 31 1H6 A 3 1H6 A 3 10.234 -8.631 3.497 32 2H6 A 3 2H6 A 3 8.634 -8.836 4.172 33 H2 A 3 H2 A 3 13.084 -10.461 6.442 34 1H5* G 4 1H5* G 4 11.322 -9.214 13.136 35 2H5* G 4 2H5* G 4 11.362 -7.585 13.854 36 H4* G 4 H4* G 4 13.482 -8.150 12.729 37 H3* G 4 H3* G 4 11.868 -5.998 11.335 38 H2* G 4 H2* G 4 13.756 -5.684 9.877 39 2HO* G 4 2HO* G 4 15.421 -6.034 11.470 40 H1* G 4 H1* G 4 14.045 -8.367 9.429 41 H8 G 4 H8 G 4 10.359 -7.922 9.839 42 H1 G 4 H1 G 4 12.487 -5.722 4.232 43 1H2 G 4 1H2 G 4 14.694 -5.617 4.241 44 2H2 G 4 2H2 G 4 15.642 -6.098 5.628 45 1H5* G 5 1H5* G 5 15.730 -3.659 12.010 46 2H5* G 5 2H5* G 5 15.048 -2.138 12.647 47 H4* G 5 H4* G 5 16.609 -1.851 10.697 48 H3* G 5 H3* G 5 13.733 -0.974 10.319 49 H2* G 5 H2* G 5 14.383 -0.064 8.191 50 2HO* G 5 2HO* G 5 16.467 0.736 8.801 51 H1* G 5 H1* G 5 15.809 -2.297 7.475 52 H8 G 5 H8 G 5 12.949 -3.726 9.403 53 H1 G 5 H1 G 5 11.135 -1.576 3.660 54 1H2 G 5 1H2 G 5 12.746 -0.368 2.742 55 2H2 G 5 2H2 G 5 14.268 -0.079 3.553 56 1H5* A 6 1H5* A 6 16.406 2.715 9.489 57 2H5* A 6 2H5* A 6 15.332 4.094 9.857 58 H4* A 6 H4* A 6 16.396 3.896 7.481 59 H3* A 6 H3* A 6 13.435 4.387 7.889 60 H2* A 6 H2* A 6 13.245 4.640 5.520 61 2HO* A 6 2HO* A 6 15.138 4.668 4.216 62 H1* A 6 H1* A 6 14.866 2.493 4.958 63 H8 A 6 H8 A 6 12.794 1.431 7.905 64 1H6 A 6 1H6 A 6 8.189 0.320 3.943 65 2H6 A 6 2H6 A 6 8.759 0.105 5.580 66 H2 A 6 H2 A 6 11.409 2.581 1.768 67 1H5* C 7 1H5* C 7 14.798 7.309 5.048 68 2H5* C 7 2H5* C 7 13.815 8.785 5.218 69 H4* C 7 H4* C 7 13.753 7.622 2.945 70 H3* C 7 H3* C 7 11.157 8.044 4.441 71 H2* C 7 H2* C 7 10.015 7.289 2.460 72 2HO* C 7 2HO* C 7 12.628 7.294 1.264 73 H1* C 7 H1* C 7 11.718 5.156 2.120 74 1H4 C 7 1H4 C 7 6.837 3.123 5.714 75 2H4 C 7 2H4 C 7 7.769 3.466 7.153 76 H5 C 7 H5 C 7 9.948 4.595 7.093 77 H6 C 7 H6 C 7 11.591 5.595 5.637 78 1H5* A 8 1H5* A 8 10.275 9.803 0.719 79 2H5* A 8 2H5* A 8 9.339 11.296 0.993 80 H4* A 8 H4* A 8 8.207 9.598 -0.471 81 H3* A 8 H3* A 8 6.846 10.331 2.127 82 H2* A 8 H2* A 8 4.960 9.009 1.405 83 2HO* A 8 2HO* A 8 6.445 8.704 -1.024 84 H1* A 8 H1* A 8 6.485 6.915 0.643 85 H8 A 8 H8 A 8 8.484 8.090 3.445 86 1H6 A 8 1H6 A 8 4.191 5.619 7.285 87 2H6 A 8 2H6 A 8 5.799 6.294 7.188 88 H2 A 8 H2 A 8 2.484 5.773 3.154 89 1H5* U 9 1H5* U 9 4.102 10.235 -0.320 90 2H5* U 9 2H5* U 9 3.238 11.745 -0.680 91 H4* U 9 H4* U 9 1.662 9.931 -0.409 92 H3* U 9 H3* U 9 1.637 12.179 1.498 93 H2* U 9 H2* U 9 0.789 11.083 3.272 94 2HO* U 9 2HO* U 9 -0.842 9.535 1.540 95 H1* U 9 H1* U 9 0.945 8.325 2.450 96 H3 U 9 H3 U 9 1.981 8.328 6.841 97 H5 U 9 H5 U 9 5.316 10.038 4.964 98 H6 U 9 H6 U 9 4.105 10.058 2.912 99 1H5* U 10 1H5* U 10 -1.005 14.866 2.340 100 2H5* U 10 2H5* U 10 -0.887 13.894 3.824 101 H4* U 10 H4* U 10 -3.432 14.302 2.228 102 H3* U 10 H3* U 10 -2.567 16.396 3.557 103 H2* U 10 H2* U 10 -1.763 15.328 5.517 104 2HO* U 10 2HO* U 10 -3.341 16.816 6.281 105 H1* U 10 H1* U 10 -4.009 13.467 6.014 106 H3 U 10 H3 U 10 0.039 12.464 8.389 107 H5 U 10 H5 U 10 -0.104 10.394 4.714 108 H6 U 10 H6 U 10 -1.935 11.712 4.102 109 1H5* C 11 1H5* C 11 -7.907 16.776 3.789 110 2H5* C 11 2H5* C 11 -6.957 15.291 4.070 111 H4* C 11 H4* C 11 -9.349 15.730 2.298 112 H3* C 11 H3* C 11 -9.171 14.404 4.713 113 H2* C 11 H2* C 11 -7.586 12.799 3.946 114 2HO* C 11 2HO* C 11 -9.434 11.637 4.698 115 H1* C 11 H1* C 11 -9.184 12.554 1.384 116 1H4 C 11 1H4 C 11 -4.147 9.267 -0.686 117 2H4 C 11 2H4 C 11 -3.098 9.994 0.509 118 H5 C 11 H5 C 11 -3.885 11.664 2.124 119 H6 C 11 H6 C 11 -5.790 12.944 2.870 120 1H5* C 12 1H5* C 12 -12.581 12.738 2.300 121 2H5* C 12 2H5* C 12 -14.056 13.752 2.378 122 H4* C 12 H4* C 12 -14.523 11.330 2.148 123 H3* C 12 H3* C 12 -16.037 12.916 3.719 124 H2* C 12 H2* C 12 -14.604 12.693 5.649 125 2HO* C 12 2HO* C 12 -15.716 11.130 7.058 126 H1* C 12 H1* C 12 -14.582 9.688 5.243 127 1H4 C 12 1H4 C 12 -10.241 10.543 9.894 128 2H4 C 12 2H4 C 12 -9.094 11.054 8.677 129 H5 C 12 H5 C 12 -9.716 11.399 6.324 130 H6 C 12 H6 C 12 -11.538 11.331 4.745 131 1H5* U 13 1H5* U 13 -17.885 7.724 1.369 132 2H5* U 13 2H5* U 13 -16.986 8.128 2.850 133 H4* U 13 H4* U 13 -16.516 9.850 0.493 134 H3* U 13 H3* U 13 -16.317 7.235 -0.223 135 H2* U 13 H2* U 13 -14.995 6.634 1.707 136 2HO* U 13 2HO* U 13 -13.900 6.044 -0.308 137 H1* U 13 H1* U 13 -13.295 9.098 1.155 138 H3 U 13 H3 U 13 -10.902 8.399 5.086 139 H5 U 13 H5 U 13 -14.823 6.967 5.860 140 H6 U 13 H6 U 13 -15.370 7.477 3.660 141 1H5* C 14 1H5* C 14 -12.430 9.665 -0.990 142 2H5* C 14 2H5* C 14 -12.002 9.549 -2.714 143 H4* C 14 H4* C 14 -9.894 9.503 -1.810 144 H3* C 14 H3* C 14 -10.742 6.612 -1.490 145 H2* C 14 H2* C 14 -8.543 6.199 -0.643 146 2HO* C 14 2HO* C 14 -7.809 8.855 -1.375 147 H1* C 14 H1* C 14 -8.427 8.708 0.688 148 1H4 C 14 1H4 C 14 -9.456 4.442 5.321 149 2H4 C 14 2H4 C 14 -11.152 4.366 4.894 150 H5 C 14 H5 C 14 -12.100 5.529 2.950 151 H6 C 14 H6 C 14 -11.562 6.969 1.097 152 1H5* A 15 1H5* A 15 -7.174 6.428 -3.530 153 2H5* A 15 2H5* A 15 -7.203 5.258 -4.876 154 H4* A 15 H4* A 15 -5.334 4.801 -3.384 155 H3* A 15 H3* A 15 -7.579 2.781 -3.227 156 H2* A 15 H2* A 15 -6.264 1.485 -1.696 157 2HO* A 15 2HO* A 15 -4.074 2.062 -1.310 158 H1* A 15 H1* A 15 -5.414 3.689 -0.255 159 H8 A 15 H8 A 15 -8.967 4.315 -1.230 160 1H6 A 15 1H6 A 15 -10.507 0.766 3.673 161 2H6 A 15 2H6 A 15 -11.134 1.858 2.456 162 H2 A 15 H2 A 15 -6.077 0.427 2.887 163 1H5* C 16 1H5* C 16 -4.198 0.465 -4.139 164 2H5* C 16 2H5* C 16 -4.561 -0.805 -5.341 165 H4* C 16 H4* C 16 -3.608 -1.683 -3.213 166 H3* C 16 H3* C 16 -6.448 -2.483 -3.882 167 H2* C 16 H2* C 16 -6.402 -3.940 -1.990 168 2HO* C 16 2HO* C 16 -4.444 -4.315 -0.869 169 H1* C 16 H1* C 16 -5.078 -2.114 -0.372 170 1H4 C 16 1H4 C 16 -11.289 -1.573 0.992 171 2H4 C 16 2H4 C 16 -11.438 -0.307 -0.209 172 H5 C 16 H5 C 16 -9.606 0.318 -1.726 173 H6 C 16 H6 C 16 -7.319 -0.165 -2.343 174 1H5* G 17 1H5* G 17 -4.070 -6.002 -3.278 175 2H5* G 17 2H5* G 17 -4.411 -7.213 -4.541 176 H4* G 17 H4* G 17 -4.482 -8.296 -2.388 177 H3* G 17 H3* G 17 -7.250 -7.830 -3.519 178 H2* G 17 H2* G 17 -8.148 -9.056 -1.654 179 2HO* G 17 2HO* G 17 -6.719 -10.074 -0.176 180 H1* G 17 H1* G 17 -6.596 -7.744 0.186 181 H8 G 17 H8 G 17 -7.510 -5.380 -2.655 182 H1 G 17 H1 G 17 -12.062 -5.952 1.792 183 1H2 G 17 1H2 G 17 -11.577 -7.605 3.182 184 2H2 G 17 2H2 G 17 -10.118 -8.556 3.019 185 1H5* G 18 1H5* G 18 -7.274 -11.823 -2.566 186 2H5* G 18 2H5* G 18 -7.994 -12.814 -3.862 187 H4* G 18 H4* G 18 -9.109 -13.197 -1.706 188 H3* G 18 H3* G 18 -10.794 -11.699 -3.728 189 H2* G 18 H2* G 18 -12.633 -11.892 -2.205 190 2HO* G 18 2HO* G 18 -12.201 -14.086 -1.544 191 H1* G 18 H1* G 18 -11.054 -11.344 0.033 192 H8 G 18 H8 G 18 -10.117 -9.092 -2.889 193 H1 G 18 H1 G 18 -15.223 -7.062 0.395 194 1H2 G 18 1H2 G 18 -15.875 -8.609 1.837 195 2H2 G 18 2H2 G 18 -15.051 -10.145 1.987 196 1H5* G 19 1H5* G 19 -14.645 -14.660 -5.296 197 2H5* G 19 2H5* G 19 -14.440 -12.895 -5.474 198 H4* G 19 H4* G 19 -15.546 -14.155 -2.960 199 H3* G 19 H3* G 19 -17.078 -13.183 -5.381 200 H2* G 19 H2* G 19 -18.837 -12.543 -3.872 201 2HO* G 19 2HO* G 19 -18.686 -13.099 -1.652 202 H1* G 19 H1* G 19 -17.071 -11.431 -2.051 203 H8 G 19 H8 G 19 -16.763 -11.194 -5.939 204 H1 G 19 H1 G 19 -19.016 -5.967 -3.008 205 1H2 G 19 1H2 G 19 -19.199 -6.325 -0.842 206 2H2 G 19 2H2 G 19 -18.762 -7.850 -0.107 207 1H5* U 20 1H5* U 20 -18.809 -12.911 -7.675 208 2H5* U 20 2H5* U 20 -19.251 -12.832 -5.951 209 H4* U 20 H4* U 20 -20.903 -13.672 -8.319 210 H3* U 20 H3* U 20 -21.426 -12.052 -5.811 211 H2* U 20 H2* U 20 -23.745 -12.494 -6.067 212 2HO* U 20 2HO* U 20 -23.844 -12.102 -8.352 213 H1* U 20 H1* U 20 -23.348 -15.123 -7.002 214 H3 U 20 H3 U 20 -24.771 -16.784 -3.113 215 H5 U 20 H5 U 20 -22.412 -13.529 -1.887 216 H6 U 20 H6 U 20 -21.921 -13.085 -4.222 217 1H5* G 21 1H5* G 21 -22.157 -7.551 -5.848 218 2H5* G 21 2H5* G 21 -20.985 -8.012 -4.585 219 H4* G 21 H4* G 21 -23.956 -8.292 -4.645 220 H3* G 21 H3* G 21 -21.885 -7.730 -2.514 221 H2* G 21 H2* G 21 -23.419 -8.477 -0.859 222 2HO* G 21 2HO* G 21 -25.320 -7.494 -1.714 223 H1* G 21 H1* G 21 -24.319 -10.628 -2.280 224 H8 G 21 H8 G 21 -20.562 -9.977 -2.663 225 H1 G 21 H1 G 21 -22.111 -13.700 2.296 226 1H2 G 21 1H2 G 21 -24.307 -13.760 2.552 227 2H2 G 21 2H2 G 21 -25.391 -12.874 1.505 228 1H5* A 22 1H5* A 22 -25.172 -5.161 -1.215 229 2H5* A 22 2H5* A 22 -24.605 -3.950 -0.034 230 H4* A 22 H4* A 22 -26.083 -5.850 0.854 231 H3* A 22 H3* A 22 -23.361 -5.300 2.040 232 H2* A 22 H2* A 22 -23.730 -7.024 3.646 233 2HO* A 22 2HO* A 22 -25.973 -6.473 4.057 234 H1* A 22 H1* A 22 -24.916 -8.749 1.826 235 H8 A 22 H8 A 22 -22.081 -7.209 -0.020 236 1H6 A 22 1H6 A 22 -18.269 -11.123 2.834 237 2H6 A 22 2H6 A 22 -18.429 -9.955 1.543 238 H2 A 22 H2 A 22 -22.237 -11.332 4.865 239 1H5* C 23 1H5* C 23 -21.213 -3.126 3.840 240 2H5* C 23 2H5* C 23 -21.994 -4.040 2.535 241 H4* C 23 H4* C 23 -22.138 -5.638 4.864 242 H3* C 23 H3* C 23 -19.453 -4.311 4.531 243 H2* C 23 H2* C 23 -18.308 -6.383 4.809 244 2HO* C 23 2HO* C 23 -19.474 -8.273 5.384 245 H1* C 23 H1* C 23 -19.864 -7.788 3.118 246 1H4 C 23 1H4 C 23 -15.404 -4.923 -0.492 247 2H4 C 23 2H4 C 23 -16.567 -3.682 -0.896 248 H5 C 23 H5 C 23 -18.782 -3.536 0.147 249 H6 C 23 H6 C 23 -20.278 -4.553 1.747 250 1H5* C 24 1H5* C 24 -18.858 -6.719 7.800 251 2H5* C 24 2H5* C 24 -17.932 -5.904 9.089 252 H4* C 24 H4* C 24 -16.853 -7.993 8.272 253 H3* C 24 H3* C 24 -15.356 -5.429 7.676 254 H2* C 24 H2* C 24 -13.534 -6.808 6.940 255 2HO* C 24 2HO* C 24 -13.587 -9.053 7.253 256 H1* C 24 H1* C 24 -15.195 -8.523 5.535 257 1H4 C 24 1H4 C 24 -13.153 -4.140 1.347 258 2H4 C 24 2H4 C 24 -14.483 -3.094 1.786 259 H5 C 24 H5 C 24 -16.043 -3.611 3.607 260 H6 C 24 H6 C 24 -16.598 -5.213 5.322 261 1H5* G 25 1H5* G 25 -12.713 -7.924 9.659 262 2H5* G 25 2H5* G 25 -11.754 -7.061 10.889 263 H4* G 25 H4* G 25 -10.318 -8.324 9.348 264 H3* G 25 H3* G 25 -10.149 -5.317 9.048 265 H2* G 25 H2* G 25 -8.388 -5.642 7.471 266 2HO* G 25 2HO* G 25 -8.507 -8.409 8.210 267 H1* G 25 H1* G 25 -9.642 -7.730 6.176 268 H8 G 25 H8 G 25 -12.352 -5.272 7.037 269 H1 G 25 H1 G 25 -8.774 -3.379 2.070 270 1H2 G 25 1H2 G 25 -6.964 -4.650 1.919 271 2H2 G 25 2H2 G 25 -6.646 -5.963 3.028 272 1H5* U 26 1H5* U 26 -6.179 -6.388 9.351 273 2H5* U 26 2H5* U 26 -5.252 -5.158 10.250 274 H4* U 26 H4* U 26 -4.551 -5.542 7.836 275 H3* U 26 H3* U 26 -5.431 -2.773 8.687 276 H2* U 26 H2* U 26 -4.812 -1.990 6.515 277 2HO* U 26 2HO* U 26 -3.638 -3.342 5.090 278 H1* U 26 H1* U 26 -5.795 -4.250 5.198 279 H3 U 26 H3 U 26 -8.336 -0.665 3.933 280 H5 U 26 H5 U 26 -9.970 -1.936 7.599 281 H6 U 26 H6 U 26 -8.078 -3.425 7.850 282 1H5* G 27 1H5* G 27 -1.648 -2.776 6.801 283 2H5* G 27 2H5* G 27 -0.524 -1.516 7.365 284 H4* G 27 H4* G 27 -1.323 -1.705 4.825 285 H3* G 27 H3* G 27 0.015 0.301 6.196 286 H2* G 27 H2* G 27 -1.927 1.492 6.821 287 2HO* G 27 2HO* G 27 -0.656 2.916 5.496 288 H1* G 27 H1* G 27 -3.122 0.969 4.100 289 H8 G 27 H8 G 27 -4.438 0.109 7.588 290 H1 G 27 H1 G 27 -7.643 4.755 4.579 291 1H2 G 27 1H2 G 27 -6.613 5.293 2.696 292 2H2 G 27 2H2 G 27 -5.140 4.501 2.187 293 1H5* G 28 1H5* G 28 -1.511 1.752 1.301 294 2H5* G 28 2H5* G 28 -1.770 0.321 0.272 295 H4* G 28 H4* G 28 -0.813 1.708 -1.261 296 H3* G 28 H3* G 28 1.458 0.323 0.140 297 H2* G 28 H2* G 28 3.091 1.702 -0.881 298 2HO* G 28 2HO* G 28 2.510 3.158 -2.552 299 H1* G 28 H1* G 28 1.856 4.037 -0.491 300 H8 G 28 H8 G 28 0.692 2.041 2.469 301 H1 G 28 H1 G 28 6.736 4.021 3.065 302 1H2 G 28 1H2 G 28 7.489 4.795 1.139 303 2H2 G 28 2H2 G 28 6.498 4.831 -0.303 304 1H5* U 29 1H5* U 29 2.662 0.136 -3.994 305 2H5* U 29 2H5* U 29 3.464 -1.428 -4.313 306 H4* U 29 H4* U 29 4.875 0.609 -4.768 307 H3* U 29 H3* U 29 5.833 -1.306 -2.627 308 H2* U 29 H2* U 29 7.830 -0.022 -2.519 309 2HO* U 29 2HO* U 29 8.277 1.574 -4.097 310 H1* U 29 H1* U 29 6.507 2.421 -2.847 311 H3 U 29 H3 U 29 8.541 2.065 1.354 312 H5 U 29 H5 U 29 4.714 0.336 1.730 313 H6 U 29 H6 U 29 4.483 0.484 -0.664 314 1H5* C 30 1H5* C 30 9.098 -0.736 -5.269 315 2H5* C 30 2H5* C 30 10.140 -2.185 -5.285 316 H4* C 30 H4* C 30 11.147 0.045 -4.433 317 H3* C 30 H3* C 30 11.307 -2.508 -2.821 318 H2* C 30 H2* C 30 12.619 -1.352 -1.199 319 2HO* C 30 2HO* C 30 12.723 0.781 -3.107 320 H1* C 30 H1* C 30 11.118 0.985 -1.319 321 1H4 C 30 1H4 C 30 9.036 -2.458 3.687 322 2H4 C 30 2H4 C 30 7.688 -2.982 2.707 323 H5 C 30 H5 C 30 7.502 -2.483 0.317 324 H6 C 30 H6 C 30 8.581 -1.405 -1.551 325 1H5* C 31 1H5* C 31 15.157 -1.185 -2.452 326 2H5* C 31 2H5* C 31 16.239 -2.441 -3.110 327 H4* C 31 H4* C 31 17.053 -1.871 -0.932 328 H3* C 31 H3* C 31 15.478 -4.456 -0.851 329 H2* C 31 H2* C 31 16.126 -4.688 1.445 330 2HO* C 31 2HO* C 31 17.574 -3.115 2.359 331 H1* C 31 H1* C 31 15.568 -2.070 2.056 332 1H4 C 31 1H4 C 31 10.172 -5.261 3.226 333 2H4 C 31 2H4 C 31 9.672 -5.048 1.563 334 H5 C 31 H5 C 31 11.123 -4.044 -0.145 335 H6 C 31 H6 C 31 13.297 -3.071 -0.540 336 1H5* U 32 1H5* U 32 18.524 -5.907 1.346 337 2H5* U 32 2H5* U 32 19.357 -7.058 0.271 338 H4* U 32 H4* U 32 19.078 -8.248 2.267 339 H3* U 32 H3* U 32 16.732 -8.927 0.483 340 H2* U 32 H2* U 32 16.059 -10.505 2.118 341 2HO* U 32 2HO* U 32 17.383 -10.937 3.926 342 H1* U 32 H1* U 32 16.404 -8.842 4.203 343 H3 U 32 H3 U 32 11.987 -9.342 3.498 344 H5 U 32 H5 U 32 13.104 -6.248 0.910 345 H6 U 32 H6 U 32 15.455 -6.742 1.439 346 1H5* C 33 1H5* C 33 18.438 -12.583 2.048 347 2H5* C 33 2H5* C 33 18.091 -13.934 0.941 348 H4* C 33 H4* C 33 17.195 -14.153 3.322 349 H3* C 33 H3* C 33 15.219 -14.257 1.026 350 H2* C 33 H2* C 33 13.579 -14.891 2.643 351 2HO* C 33 2HO* C 33 15.753 -14.993 4.498 352 H1* C 33 H1* C 33 14.380 -12.996 4.474 353 1H4 C 33 1H4 C 33 9.647 -10.359 1.091 354 2H4 C 33 2H4 C 33 10.799 -9.782 -0.094 355 H5 C 33 H5 C 33 13.191 -10.369 -0.029 356 H6 C 33 H6 C 33 14.869 -11.620 1.179 357 1H5* C 34 1H5* C 34 14.620 -17.626 3.672 358 2H5* C 34 2H5* C 34 14.151 -19.032 2.689 359 H4* C 34 H4* C 34 12.571 -18.432 4.577 360 H3* C 34 H3* C 34 11.508 -18.435 1.741 361 H2* C 34 H2* C 34 9.323 -18.092 2.648 362 2HO* C 34 2HO* C 34 9.039 -18.171 4.960 363 H1* C 34 H1* C 34 10.193 -16.263 4.568 364 1H4 C 34 1H4 C 34 8.017 -12.870 -0.401 365 2H4 C 34 2H4 C 34 9.624 -12.862 -1.096 366 H5 C 34 H5 C 34 11.497 -14.148 -0.149 367 H6 C 34 H6 C 34 12.143 -15.651 1.627 Start of MODEL 12 1 1H5* G 1 1H5* G 1 -0.278 -12.379 -2.952 2 2H5* G 1 2H5* G 1 1.346 -12.365 -3.641 3 H4* G 1 H4* G 1 0.070 -14.717 -2.226 4 H3* G 1 H3* G 1 2.131 -12.713 -1.275 5 H2* G 1 H2* G 1 3.090 -14.451 0.057 6 2HO* G 1 2HO* G 1 2.056 -16.424 0.324 7 H1* G 1 H1* G 1 3.003 -16.305 -1.943 8 H8 G 1 H8 G 1 3.769 -13.063 -3.653 9 H1 G 1 H1 G 1 8.813 -15.411 -0.507 10 1H2 G 1 1H2 G 1 8.185 -17.064 0.819 11 2H2 G 1 2H2 G 1 6.523 -17.602 0.916 12 1H5* G 2 1H5* G 2 0.849 -14.692 2.296 13 2H5* G 2 2H5* G 2 0.824 -13.507 3.630 14 H4* G 2 H4* G 2 2.311 -15.558 3.949 15 H3* G 2 H3* G 2 3.552 -12.798 4.097 16 H2* G 2 H2* G 2 5.581 -13.857 4.792 17 2HO* G 2 2HO* G 2 5.602 -16.084 5.307 18 H1* G 2 H1* G 2 5.329 -15.950 2.966 19 H8 G 2 H8 G 2 4.400 -13.112 0.836 20 H1 G 2 H1 G 2 10.588 -12.822 2.419 21 1H2 G 2 1H2 G 2 11.023 -14.206 4.087 22 2H2 G 2 2H2 G 2 9.787 -15.215 4.807 23 1H5* A 3 1H5* A 3 4.851 -14.704 7.654 24 2H5* A 3 2H5* A 3 4.351 -13.650 9.002 25 H4* A 3 H4* A 3 6.658 -14.257 9.333 26 H3* A 3 H3* A 3 6.430 -11.437 8.257 27 H2* A 3 H2* A 3 8.800 -11.223 8.654 28 2HO* A 3 2HO* A 3 9.928 -12.924 9.688 29 H1* A 3 H1* A 3 9.354 -13.663 7.512 30 H8 A 3 H8 A 3 6.508 -12.221 5.524 31 1H6 A 3 1H6 A 3 10.708 -8.851 2.482 32 2H6 A 3 2H6 A 3 9.040 -9.371 2.525 33 H2 A 3 H2 A 3 12.709 -10.730 6.034 34 1H5* G 4 1H5* G 4 8.865 -11.259 11.499 35 2H5* G 4 2H5* G 4 8.440 -9.934 12.610 36 H4* G 4 H4* G 4 10.818 -9.874 12.069 37 H3* G 4 H3* G 4 9.252 -7.660 10.727 38 H2* G 4 H2* G 4 11.362 -6.746 10.038 39 2HO* G 4 2HO* G 4 13.313 -7.727 10.785 40 H1* G 4 H1* G 4 12.356 -9.211 9.274 41 H8 G 4 H8 G 4 8.695 -9.128 8.376 42 H1 G 4 H1 G 4 12.375 -5.906 4.239 43 1H2 G 4 1H2 G 4 14.413 -5.662 5.060 44 2H2 G 4 2H2 G 4 14.871 -6.305 6.621 45 1H5* G 5 1H5* G 5 12.181 -5.705 13.179 46 2H5* G 5 2H5* G 5 11.548 -4.178 13.849 47 H4* G 5 H4* G 5 13.661 -3.912 12.543 48 H3* G 5 H3* G 5 11.188 -2.562 11.426 49 H2* G 5 H2* G 5 12.572 -1.573 9.758 50 2HO* G 5 2HO* G 5 14.834 -1.667 9.909 51 H1* G 5 H1* G 5 14.076 -3.873 9.343 52 H8 G 5 H8 G 5 10.497 -4.976 9.673 53 H1 G 5 H1 G 5 11.759 -2.282 4.004 54 1H2 G 5 1H2 G 5 13.733 -1.280 4.070 55 2H2 G 5 2H2 G 5 14.740 -1.287 5.498 56 1H5* A 6 1H5* A 6 14.175 0.512 11.561 57 2H5* A 6 2H5* A 6 13.374 2.084 11.824 58 H4* A 6 H4* A 6 14.707 1.666 9.611 59 H3* A 6 H3* A 6 11.910 2.820 9.677 60 H2* A 6 H2* A 6 11.966 3.023 7.322 61 2HO* A 6 2HO* A 6 13.928 2.894 6.170 62 H1* A 6 H1* A 6 13.486 0.691 6.902 63 H8 A 6 H8 A 6 10.549 -0.002 9.218 64 1H6 A 6 1H6 A 6 7.168 -0.816 4.054 65 2H6 A 6 2H6 A 6 7.183 -0.994 5.801 66 H2 A 6 H2 A 6 11.139 0.909 2.924 67 1H5* C 7 1H5* C 7 14.182 5.385 7.079 68 2H5* C 7 2H5* C 7 13.482 7.026 7.120 69 H4* C 7 H4* C 7 13.388 5.815 4.879 70 H3* C 7 H3* C 7 10.859 6.820 6.179 71 H2* C 7 H2* C 7 9.581 6.058 4.317 72 2HO* C 7 2HO* C 7 10.636 5.381 2.397 73 H1* C 7 H1* C 7 11.029 3.705 3.976 74 1H4 C 7 1H4 C 7 5.952 1.908 7.339 75 2H4 C 7 2H4 C 7 6.620 2.595 8.805 76 H5 C 7 H5 C 7 8.730 3.865 8.836 77 H6 C 7 H6 C 7 10.537 4.689 7.454 78 1H5* A 8 1H5* A 8 10.864 8.383 2.410 79 2H5* A 8 2H5* A 8 10.548 10.130 2.232 80 H4* A 8 H4* A 8 9.082 8.778 0.779 81 H3* A 8 H3* A 8 7.759 10.298 3.026 82 H2* A 8 H2* A 8 5.610 9.464 2.351 83 2HO* A 8 2HO* A 8 5.526 8.050 0.472 84 H1* A 8 H1* A 8 6.374 6.924 2.158 85 H8 A 8 H8 A 8 8.712 7.721 4.798 86 1H6 A 8 1H6 A 8 4.021 8.058 8.821 87 2H6 A 8 2H6 A 8 5.759 7.955 8.653 88 H2 A 8 H2 A 8 2.341 8.096 4.667 89 1H5* U 9 1H5* U 9 5.372 10.618 0.307 90 2H5* U 9 2H5* U 9 4.989 12.194 -0.422 91 H4* U 9 H4* U 9 2.958 10.938 0.040 92 H3* U 9 H3* U 9 3.464 13.496 1.418 93 H2* U 9 H2* U 9 2.142 13.119 3.274 94 2HO* U 9 2HO* U 9 0.389 11.485 1.776 95 H1* U 9 H1* U 9 1.747 10.348 3.207 96 H3 U 9 H3 U 9 2.866 11.818 7.422 97 H5 U 9 H5 U 9 6.480 11.310 5.351 98 H6 U 9 H6 U 9 5.204 11.003 3.327 99 1H5* U 10 1H5* U 10 -1.364 11.274 0.969 100 2H5* U 10 2H5* U 10 -2.314 11.497 -0.523 101 H4* U 10 H4* U 10 -3.517 12.455 1.356 102 H3* U 10 H3* U 10 -2.985 14.006 -0.916 103 H2* U 10 H2* U 10 -1.245 15.258 0.115 104 2HO* U 10 2HO* U 10 -2.946 16.764 -0.418 105 H1* U 10 H1* U 10 -2.841 15.279 2.688 106 H3 U 10 H3 U 10 0.355 17.418 5.035 107 H5 U 10 H5 U 10 2.569 15.189 2.224 108 H6 U 10 H6 U 10 0.479 14.369 1.337 109 1H5* C 11 1H5* C 11 -5.392 12.624 -0.589 110 2H5* C 11 2H5* C 11 -6.836 12.334 -1.593 111 H4* C 11 H4* C 11 -8.102 11.844 0.188 112 H3* C 11 H3* C 11 -7.594 14.466 1.049 113 H2* C 11 H2* C 11 -5.723 13.871 2.363 114 2HO* C 11 2HO* C 11 -7.302 14.736 3.810 115 H1* C 11 H1* C 11 -7.194 11.337 3.139 116 1H4 C 11 1H4 C 11 -1.400 9.191 4.924 117 2H4 C 11 2H4 C 11 -0.901 10.850 5.160 118 H5 C 11 H5 C 11 -2.305 12.765 4.526 119 H6 C 11 H6 C 11 -4.406 13.416 3.555 120 1H5* C 12 1H5* C 12 -11.116 11.527 2.358 121 2H5* C 12 2H5* C 12 -12.439 12.119 1.311 122 H4* C 12 H4* C 12 -13.770 11.424 2.985 123 H3* C 12 H3* C 12 -13.440 14.111 3.436 124 H2* C 12 H2* C 12 -11.600 13.882 4.916 125 2HO* C 12 2HO* C 12 -12.421 14.022 7.100 126 H1* C 12 H1* C 12 -12.950 11.565 6.328 127 1H4 C 12 1H4 C 12 -7.100 10.842 8.730 128 2H4 C 12 2H4 C 12 -6.357 11.263 7.205 129 H5 C 12 H5 C 12 -7.658 11.897 5.216 130 H6 C 12 H6 C 12 -9.895 12.232 4.360 131 1H5* U 13 1H5* U 13 -17.558 10.488 2.276 132 2H5* U 13 2H5* U 13 -16.474 9.445 3.224 133 H4* U 13 H4* U 13 -15.607 10.604 0.598 134 H3* U 13 H3* U 13 -17.766 9.080 0.366 135 H2* U 13 H2* U 13 -17.015 7.531 2.088 136 2HO* U 13 2HO* U 13 -16.387 6.343 -0.423 137 H1* U 13 H1* U 13 -14.443 7.205 0.533 138 H3 U 13 H3 U 13 -13.466 4.111 3.821 139 H5 U 13 H5 U 13 -14.081 7.769 5.839 140 H6 U 13 H6 U 13 -14.809 8.704 3.777 141 1H5* C 14 1H5* C 14 -13.246 11.918 -1.348 142 2H5* C 14 2H5* C 14 -13.533 11.217 -2.963 143 H4* C 14 H4* C 14 -11.199 11.109 -2.714 144 H3* C 14 H3* C 14 -12.249 8.431 -1.745 145 H2* C 14 H2* C 14 -9.988 7.750 -1.462 146 2HO* C 14 2HO* C 14 -9.330 10.065 -3.020 147 H1* C 14 H1* C 14 -9.111 10.322 -0.670 148 1H4 C 14 1H4 C 14 -9.226 6.720 4.589 149 2H4 C 14 2H4 C 14 -10.902 7.153 4.842 150 H5 C 14 H5 C 14 -12.189 8.465 3.219 151 H6 C 14 H6 C 14 -12.114 9.566 1.069 152 1H5* A 15 1H5* A 15 -8.864 7.601 -4.616 153 2H5* A 15 2H5* A 15 -9.470 6.199 -5.528 154 H4* A 15 H4* A 15 -7.180 5.973 -4.369 155 H3* A 15 H3* A 15 -9.396 3.967 -3.944 156 H2* A 15 H2* A 15 -7.968 2.674 -2.507 157 2HO* A 15 2HO* A 15 -5.996 2.962 -3.693 158 H1* A 15 H1* A 15 -7.085 4.818 -1.079 159 H8 A 15 H8 A 15 -10.588 4.979 -2.504 160 1H6 A 15 1H6 A 15 -12.342 2.865 3.130 161 2H6 A 15 2H6 A 15 -12.956 3.452 1.596 162 H2 A 15 H2 A 15 -7.856 2.954 2.824 163 1H5* C 16 1H5* C 16 -6.023 1.581 -5.349 164 2H5* C 16 2H5* C 16 -6.616 0.205 -6.317 165 H4* C 16 H4* C 16 -5.242 -0.450 -4.328 166 H3* C 16 H3* C 16 -8.143 -1.327 -4.341 167 H2* C 16 H2* C 16 -7.654 -2.616 -2.377 168 2HO* C 16 2HO* C 16 -5.459 -2.727 -1.627 169 H1* C 16 H1* C 16 -6.156 -0.589 -1.224 170 1H4 C 16 1H4 C 16 -12.032 0.053 1.175 171 2H4 C 16 2H4 C 16 -12.503 1.014 -0.209 172 H5 C 16 H5 C 16 -11.043 1.377 -2.145 173 H6 C 16 H6 C 16 -8.874 0.889 -3.089 174 1H5* G 17 1H5* G 17 -5.581 -4.700 -3.838 175 2H5* G 17 2H5* G 17 -6.138 -6.101 -4.787 176 H4* G 17 H4* G 17 -5.646 -6.642 -2.406 177 H3* G 17 H3* G 17 -8.525 -6.919 -3.295 178 H2* G 17 H2* G 17 -9.021 -7.859 -1.138 179 2HO* G 17 2HO* G 17 -7.312 -8.244 0.347 180 H1* G 17 H1* G 17 -7.648 -5.919 0.218 181 H8 G 17 H8 G 17 -9.026 -4.055 -2.700 182 H1 G 17 H1 G 17 -13.536 -5.480 1.612 183 1H2 G 17 1H2 G 17 -12.767 -6.960 3.066 184 2H2 G 17 2H2 G 17 -11.138 -7.593 2.975 185 1H5* G 18 1H5* G 18 -7.580 -10.428 -1.393 186 2H5* G 18 2H5* G 18 -8.177 -11.862 -2.266 187 H4* G 18 H4* G 18 -8.906 -11.746 0.125 188 H3* G 18 H3* G 18 -11.071 -11.586 -1.986 189 H2* G 18 H2* G 18 -12.689 -11.689 -0.227 190 2HO* G 18 2HO* G 18 -11.622 -13.305 1.052 191 H1* G 18 H1* G 18 -11.238 -9.992 1.454 192 H8 G 18 H8 G 18 -11.047 -8.543 -2.013 193 H1 G 18 H1 G 18 -16.667 -7.429 0.848 194 1H2 G 18 1H2 G 18 -16.848 -8.649 2.685 195 2H2 G 18 2H2 G 18 -15.586 -9.744 3.202 196 1H5* G 19 1H5* G 19 -13.805 -15.724 -2.478 197 2H5* G 19 2H5* G 19 -14.089 -14.057 -3.054 198 H4* G 19 H4* G 19 -14.984 -15.169 -0.377 199 H3* G 19 H3* G 19 -16.544 -14.629 -2.915 200 H2* G 19 H2* G 19 -18.453 -14.166 -1.526 201 2HO* G 19 2HO* G 19 -17.893 -15.825 0.095 202 H1* G 19 H1* G 19 -17.023 -12.539 0.141 203 H8 G 19 H8 G 19 -16.223 -12.800 -3.667 204 H1 G 19 H1 G 19 -19.789 -7.773 -1.960 205 1H2 G 19 1H2 G 19 -20.241 -7.850 0.193 206 2H2 G 19 2H2 G 19 -19.669 -9.142 1.222 207 1H5* U 20 1H5* U 20 -18.128 -15.459 -5.107 208 2H5* U 20 2H5* U 20 -18.472 -15.310 -3.367 209 H4* U 20 H4* U 20 -20.171 -16.536 -5.536 210 H3* U 20 H3* U 20 -20.696 -14.518 -3.335 211 H2* U 20 H2* U 20 -22.998 -15.127 -3.433 212 2HO* U 20 2HO* U 20 -23.138 -15.154 -5.769 213 H1* U 20 H1* U 20 -22.448 -17.851 -3.924 214 H3 U 20 H3 U 20 -24.112 -18.637 0.133 215 H5 U 20 H5 U 20 -21.289 -15.622 0.905 216 H6 U 20 H6 U 20 -20.808 -15.551 -1.490 217 1H5* G 21 1H5* G 21 -22.935 -10.819 -3.675 218 2H5* G 21 2H5* G 21 -21.612 -11.533 -2.713 219 H4* G 21 H4* G 21 -24.589 -11.949 -2.285 220 H3* G 21 H3* G 21 -22.512 -10.375 -0.756 221 H2* G 21 H2* G 21 -23.599 -10.933 1.284 222 2HO* G 21 2HO* G 21 -25.781 -10.670 0.326 223 H1* G 21 H1* G 21 -24.064 -13.538 0.638 224 H8 G 21 H8 G 21 -20.698 -12.174 -0.591 225 H1 G 21 H1 G 21 -20.582 -14.626 5.309 226 1H2 G 21 1H2 G 21 -22.632 -15.120 5.976 227 2H2 G 21 2H2 G 21 -24.030 -14.849 4.962 228 1H5* A 22 1H5* A 22 -24.473 -5.308 -0.449 229 2H5* A 22 2H5* A 22 -23.301 -6.571 0.005 230 H4* A 22 H4* A 22 -26.263 -6.488 0.664 231 H3* A 22 H3* A 22 -23.766 -6.249 2.346 232 H2* A 22 H2* A 22 -24.904 -7.321 4.167 233 2HO* A 22 2HO* A 22 -27.200 -7.223 2.449 234 H1* A 22 H1* A 22 -25.810 -9.354 2.642 235 H8 A 22 H8 A 22 -22.648 -8.441 0.897 236 1H6 A 22 1H6 A 22 -19.542 -11.509 5.256 237 2H6 A 22 2H6 A 22 -19.438 -10.734 3.692 238 H2 A 22 H2 A 22 -23.772 -11.059 6.620 239 1H5* C 23 1H5* C 23 -24.630 -5.288 4.703 240 2H5* C 23 2H5* C 23 -23.853 -4.047 5.714 241 H4* C 23 H4* C 23 -23.044 -6.399 6.102 242 H3* C 23 H3* C 23 -21.031 -4.373 5.105 243 H2* C 23 H2* C 23 -19.336 -6.034 5.446 244 2HO* C 23 2HO* C 23 -19.845 -8.000 6.474 245 H1* C 23 H1* C 23 -20.826 -8.046 4.293 246 1H4 C 23 1H4 C 23 -17.246 -5.503 -0.364 247 2H4 C 23 2H4 C 23 -18.539 -4.388 -0.742 248 H5 C 23 H5 C 23 -20.578 -4.199 0.611 249 H6 C 23 H6 C 23 -21.744 -5.056 2.549 250 1H5* C 24 1H5* C 24 -19.472 -6.145 8.638 251 2H5* C 24 2H5* C 24 -18.438 -5.005 9.541 252 H4* C 24 H4* C 24 -17.318 -7.158 8.819 253 H3* C 24 H3* C 24 -16.185 -4.559 7.754 254 H2* C 24 H2* C 24 -14.360 -5.857 6.893 255 2HO* C 24 2HO* C 24 -14.228 -8.103 7.397 256 H1* C 24 H1* C 24 -16.023 -7.862 5.947 257 1H4 C 24 1H4 C 24 -15.000 -3.888 1.046 258 2H4 C 24 2H4 C 24 -16.359 -2.907 1.549 259 H5 C 24 H5 C 24 -17.594 -3.311 3.631 260 H6 C 24 H6 C 24 -17.749 -4.724 5.581 261 1H5* G 25 1H5* G 25 -13.082 -6.623 9.524 262 2H5* G 25 2H5* G 25 -11.895 -5.575 10.339 263 H4* G 25 H4* G 25 -10.922 -7.060 8.568 264 H3* G 25 H3* G 25 -10.737 -4.069 8.149 265 H2* G 25 H2* G 25 -9.405 -4.497 6.203 266 2HO* G 25 2HO* G 25 -8.783 -6.649 5.700 267 H1* G 25 H1* G 25 -11.070 -6.442 5.248 268 H8 G 25 H8 G 25 -13.526 -4.125 6.783 269 H1 G 25 H1 G 25 -10.886 -1.604 1.524 270 1H2 G 25 1H2 G 25 -9.107 -2.773 0.933 271 2H2 G 25 2H2 G 25 -8.578 -4.184 1.824 272 1H5* U 26 1H5* U 26 -7.018 -5.175 7.326 273 2H5* U 26 2H5* U 26 -5.794 -4.095 8.043 274 H4* U 26 H4* U 26 -5.783 -4.307 5.499 275 H3* U 26 H3* U 26 -6.096 -1.592 6.793 276 H2* U 26 H2* U 26 -6.040 -0.603 4.634 277 2HO* U 26 2HO* U 26 -5.357 -1.786 2.817 278 H1* U 26 H1* U 26 -7.478 -2.680 3.399 279 H3 U 26 H3 U 26 -9.614 1.458 3.270 280 H5 U 26 H5 U 26 -11.143 -0.637 6.579 281 H6 U 26 H6 U 26 -9.365 -2.260 6.288 282 1H5* G 27 1H5* G 27 -2.843 -2.044 3.970 283 2H5* G 27 2H5* G 27 -1.397 -1.069 4.335 284 H4* G 27 H4* G 27 -2.620 -0.990 1.954 285 H3* G 27 H3* G 27 -0.681 0.613 3.053 286 H2* G 27 H2* G 27 -2.219 2.088 4.131 287 2HO* G 27 2HO* G 27 -0.983 3.484 2.914 288 H1* G 27 H1* G 27 -3.895 2.066 1.606 289 H8 G 27 H8 G 27 -4.769 1.289 5.279 290 H1 G 27 H1 G 27 -7.483 6.579 2.929 291 1H2 G 27 1H2 G 27 -6.706 7.006 0.906 292 2H2 G 27 2H2 G 27 -5.518 5.981 0.132 293 1H5* G 28 1H5* G 28 -0.867 4.107 -0.903 294 2H5* G 28 2H5* G 28 0.164 2.854 -1.637 295 H4* G 28 H4* G 28 1.034 5.244 -1.745 296 H3* G 28 H3* G 28 2.655 2.993 -0.590 297 H2* G 28 H2* G 28 4.388 4.439 0.119 298 2HO* G 28 2HO* G 28 3.057 6.446 -1.429 299 H1* G 28 H1* G 28 2.834 6.418 1.077 300 H8 G 28 H8 G 28 0.686 3.772 2.214 301 H1 G 28 H1 G 28 6.293 3.468 5.209 302 1H2 G 28 1H2 G 28 7.781 4.703 4.167 303 2H2 G 28 2H2 G 28 7.399 5.612 2.726 304 1H5* U 29 1H5* U 29 5.493 5.185 -2.593 305 2H5* U 29 2H5* U 29 6.589 4.157 -3.554 306 H4* U 29 H4* U 29 7.628 5.653 -1.722 307 H3* U 29 H3* U 29 8.170 2.677 -1.867 308 H2* U 29 H2* U 29 9.722 2.931 -0.033 309 2HO* U 29 2HO* U 29 10.062 5.023 0.864 310 H1* U 29 H1* U 29 7.896 4.183 1.516 311 H3 U 29 H3 U 29 8.307 -0.473 1.985 312 H5 U 29 H5 U 29 4.527 0.493 0.417 313 H6 U 29 H6 U 29 5.339 2.724 0.007 314 1H5* C 30 1H5* C 30 12.580 3.751 -2.527 315 2H5* C 30 2H5* C 30 13.019 2.407 -3.619 316 H4* C 30 H4* C 30 14.169 2.631 -1.268 317 H3* C 30 H3* C 30 13.003 -0.002 -2.218 318 H2* C 30 H2* C 30 14.054 -0.976 -0.302 319 2HO* C 30 2HO* C 30 15.269 1.579 0.138 320 H1* C 30 H1* C 30 13.372 1.185 1.335 321 1H4 C 30 1H4 C 30 9.126 -3.395 2.560 322 2H4 C 30 2H4 C 30 8.142 -2.878 1.206 323 H5 C 30 H5 C 30 8.860 -1.128 -0.377 324 H6 C 30 H6 C 30 10.653 0.421 -0.907 325 1H5* C 31 1H5* C 31 17.411 -0.415 -1.286 326 2H5* C 31 2H5* C 31 17.975 -1.914 -2.071 327 H4* C 31 H4* C 31 18.268 -1.743 0.471 328 H3* C 31 H3* C 31 16.666 -4.067 -0.628 329 H2* C 31 H2* C 31 16.795 -4.972 1.602 330 2HO* C 31 2HO* C 31 18.054 -3.861 3.191 331 H1* C 31 H1* C 31 16.240 -2.501 2.763 332 1H4 C 31 1H4 C 31 10.646 -5.546 2.431 333 2H4 C 31 2H4 C 31 10.453 -5.058 0.762 334 H5 C 31 H5 C 31 12.204 -3.865 -0.493 335 H6 C 31 H6 C 31 14.434 -2.938 -0.348 336 1H5* U 32 1H5* U 32 19.595 -5.620 1.804 337 2H5* U 32 2H5* U 32 20.395 -7.012 1.039 338 H4* U 32 H4* U 32 19.689 -7.585 3.290 339 H3* U 32 H3* U 32 17.957 -8.892 1.188 340 H2* U 32 H2* U 32 16.944 -10.125 2.965 341 2HO* U 32 2HO* U 32 17.801 -9.960 5.101 342 H1* U 32 H1* U 32 16.799 -7.945 4.643 343 H3 U 32 H3 U 32 12.565 -9.034 3.339 344 H5 U 32 H5 U 32 14.098 -6.660 0.226 345 H6 U 32 H6 U 32 16.284 -6.789 1.295 346 1H5* C 33 1H5* C 33 19.317 -11.870 3.893 347 2H5* C 33 2H5* C 33 19.748 -13.355 3.008 348 H4* C 33 H4* C 33 18.165 -13.809 4.844 349 H3* C 33 H3* C 33 16.986 -14.125 2.072 350 H2* C 33 H2* C 33 15.043 -15.030 3.123 351 2HO* C 33 2HO* C 33 16.524 -14.877 5.566 352 H1* C 33 H1* C 33 14.977 -13.109 5.093 353 1H4 C 33 1H4 C 33 11.181 -10.965 0.427 354 2H4 C 33 2H4 C 33 12.557 -10.256 -0.389 355 H5 C 33 H5 C 33 14.875 -10.572 0.377 356 H6 C 33 H6 C 33 16.256 -11.630 2.050 357 1H5* C 34 1H5* C 34 16.032 -17.608 4.364 358 2H5* C 34 2H5* C 34 16.236 -19.030 3.316 359 H4* C 34 H4* C 34 14.001 -18.873 4.445 360 H3* C 34 H3* C 34 14.067 -18.799 1.420 361 H2* C 34 H2* C 34 11.683 -18.872 1.426 362 2HO* C 34 2HO* C 34 11.981 -19.490 4.209 363 H1* C 34 H1* C 34 11.425 -17.126 3.585 364 1H4 C 34 1H4 C 34 10.660 -13.618 -1.697 365 2H4 C 34 2H4 C 34 12.384 -13.316 -1.749 366 H5 C 34 H5 C 34 13.979 -14.406 -0.224 367 H6 C 34 H6 C 34 14.187 -15.962 1.614 Start of MODEL 13 1 1H5* G 1 1H5* G 1 -3.004 -7.882 3.261 2 2H5* G 1 2H5* G 1 -1.886 -8.190 1.933 3 H4* G 1 H4* G 1 -2.949 -10.288 3.838 4 H3* G 1 H3* G 1 -0.262 -8.897 3.728 5 H2* G 1 H2* G 1 0.718 -10.907 4.567 6 2HO* G 1 2HO* G 1 -1.975 -11.824 4.872 7 H1* G 1 H1* G 1 -0.683 -12.535 2.879 8 H8 G 1 H8 G 1 0.091 -9.430 0.912 9 H1 G 1 H1 G 1 5.173 -13.256 1.562 10 1H2 G 1 1H2 G 1 4.763 -14.823 3.065 11 2H2 G 1 2H2 G 1 3.229 -14.936 3.901 12 1H5* G 2 1H5* G 2 -0.390 -10.808 7.540 13 2H5* G 2 2H5* G 2 0.464 -9.806 8.743 14 H4* G 2 H4* G 2 1.334 -12.183 8.413 15 H3* G 2 H3* G 2 3.219 -9.851 7.979 16 H2* G 2 H2* G 2 4.979 -11.443 7.728 17 2HO* G 2 2HO* G 2 4.728 -13.580 8.336 18 H1* G 2 H1* G 2 3.413 -13.231 6.261 19 H8 G 2 H8 G 2 2.530 -10.050 4.648 20 H1 G 2 H1 G 2 8.584 -11.648 3.349 21 1H2 G 2 1H2 G 2 9.268 -13.245 4.717 22 2H2 G 2 2H2 G 2 8.229 -13.929 5.947 23 1H5* A 3 1H5* A 3 5.295 -12.244 11.121 24 2H5* A 3 2H5* A 3 5.627 -11.025 12.383 25 H4* A 3 H4* A 3 7.658 -12.247 11.976 26 H3* A 3 H3* A 3 7.740 -9.548 10.606 27 H2* A 3 H2* A 3 10.055 -10.006 10.092 28 2HO* A 3 2HO* A 3 11.007 -11.945 10.875 29 H1* A 3 H1* A 3 9.490 -12.511 9.152 30 H8 A 3 H8 A 3 6.471 -10.428 8.305 31 1H6 A 3 1H6 A 3 9.666 -8.298 3.458 32 2H6 A 3 2H6 A 3 8.094 -8.375 4.221 33 H2 A 3 H2 A 3 12.467 -10.579 6.122 34 1H5* G 4 1H5* G 4 11.185 -9.540 12.926 35 2H5* G 4 2H5* G 4 11.415 -7.981 13.760 36 H4* G 4 H4* G 4 13.406 -8.609 12.468 37 H3* G 4 H3* G 4 11.884 -6.274 11.282 38 H2* G 4 H2* G 4 13.724 -6.012 9.753 39 2HO* G 4 2HO* G 4 15.439 -6.562 11.218 40 H1* G 4 H1* G 4 13.789 -8.684 9.155 41 H8 G 4 H8 G 4 10.171 -7.951 9.757 42 H1 G 4 H1 G 4 12.250 -5.694 4.152 43 1H2 G 4 1H2 G 4 14.456 -5.774 4.069 44 2H2 G 4 2H2 G 4 15.415 -6.395 5.392 45 1H5* G 5 1H5* G 5 15.919 -4.210 11.931 46 2H5* G 5 2H5* G 5 15.347 -2.688 12.665 47 H4* G 5 H4* G 5 16.853 -2.382 10.678 48 H3* G 5 H3* G 5 14.013 -1.356 10.420 49 H2* G 5 H2* G 5 14.668 -0.366 8.330 50 2HO* G 5 2HO* G 5 16.857 -0.441 7.675 51 H1* G 5 H1* G 5 15.962 -2.632 7.475 52 H8 G 5 H8 G 5 13.060 -4.000 9.383 53 H1 G 5 H1 G 5 11.278 -1.452 3.794 54 1H2 G 5 1H2 G 5 12.941 -0.288 2.914 55 2H2 G 5 2H2 G 5 14.489 -0.128 3.713 56 1H5* A 6 1H5* A 6 16.789 2.247 9.677 57 2H5* A 6 2H5* A 6 15.779 3.648 10.122 58 H4* A 6 H4* A 6 16.763 3.475 7.704 59 H3* A 6 H3* A 6 13.841 4.091 8.223 60 H2* A 6 H2* A 6 13.609 4.451 5.872 61 2HO* A 6 2HO* A 6 16.456 4.174 5.762 62 H1* A 6 H1* A 6 15.122 2.252 5.192 63 H8 A 6 H8 A 6 13.045 1.117 8.097 64 1H6 A 6 1H6 A 6 8.314 0.523 4.165 65 2H6 A 6 2H6 A 6 8.901 0.164 5.770 66 H2 A 6 H2 A 6 11.616 2.762 2.087 67 1H5* C 7 1H5* C 7 15.246 7.021 5.458 68 2H5* C 7 2H5* C 7 14.360 8.547 5.713 69 H4* C 7 H4* C 7 14.153 7.467 3.407 70 H3* C 7 H3* C 7 11.641 7.989 5.004 71 H2* C 7 H2* C 7 10.397 7.399 3.024 72 2HO* C 7 2HO* C 7 11.626 6.858 1.099 73 H1* C 7 H1* C 7 11.947 5.173 2.561 74 1H4 C 7 1H4 C 7 7.030 3.346 6.229 75 2H4 C 7 2H4 C 7 8.046 3.517 7.642 76 H5 C 7 H5 C 7 10.310 4.464 7.549 77 H6 C 7 H6 C 7 11.974 5.417 6.083 78 1H5* A 8 1H5* A 8 10.842 9.636 1.285 79 2H5* A 8 2H5* A 8 10.117 11.253 1.484 80 H4* A 8 H4* A 8 8.756 9.720 0.064 81 H3* A 8 H3* A 8 7.541 10.633 2.681 82 H2* A 8 H2* A 8 5.503 9.522 2.049 83 2HO* A 8 2HO* A 8 6.849 9.106 -0.449 84 H1* A 8 H1* A 8 6.751 7.248 1.276 85 H8 A 8 H8 A 8 8.978 8.099 4.025 86 1H6 A 8 1H6 A 8 4.544 6.438 8.044 87 2H6 A 8 2H6 A 8 6.243 6.815 7.869 88 H2 A 8 H2 A 8 2.698 6.855 4.011 89 1H5* U 9 1H5* U 9 4.750 10.860 0.281 90 2H5* U 9 2H5* U 9 4.129 12.472 -0.145 91 H4* U 9 H4* U 9 2.245 11.033 0.183 92 H3* U 9 H3* U 9 2.708 12.948 2.449 93 H2* U 9 H2* U 9 1.020 11.968 3.702 94 2HO* U 9 2HO* U 9 -0.005 10.817 1.323 95 H1* U 9 H1* U 9 1.300 9.309 2.852 96 H3 U 9 H3 U 9 2.126 9.309 7.346 97 H5 U 9 H5 U 9 5.692 10.622 5.558 98 H6 U 9 H6 U 9 4.502 10.766 3.446 99 1H5* U 10 1H5* U 10 -0.178 16.720 1.878 100 2H5* U 10 2H5* U 10 0.740 15.338 2.517 101 H4* U 10 H4* U 10 -1.331 14.460 0.701 102 H3* U 10 H3* U 10 -2.247 16.564 2.570 103 H2* U 10 H2* U 10 -2.692 14.979 4.258 104 2HO* U 10 2HO* U 10 -4.641 13.836 3.973 105 H1* U 10 H1* U 10 -2.729 12.859 2.088 106 H3 U 10 H3 U 10 -3.483 9.667 5.230 107 H5 U 10 H5 U 10 -0.265 11.879 6.785 108 H6 U 10 H6 U 10 -0.504 13.429 4.915 109 1H5* C 11 1H5* C 11 -7.096 17.262 1.788 110 2H5* C 11 2H5* C 11 -5.977 16.039 2.443 111 H4* C 11 H4* C 11 -8.389 15.695 0.700 112 H3* C 11 H3* C 11 -7.788 14.908 3.365 113 H2* C 11 H2* C 11 -6.425 13.086 2.735 114 2HO* C 11 2HO* C 11 -7.715 11.172 2.517 115 H1* C 11 H1* C 11 -8.167 12.678 0.289 116 1H4 C 11 1H4 C 11 -3.465 8.746 -1.452 117 2H4 C 11 2H4 C 11 -2.270 9.690 -0.595 118 H5 C 11 H5 C 11 -2.826 11.724 0.674 119 H6 C 11 H6 C 11 -4.637 13.185 1.326 120 1H5* C 12 1H5* C 12 -11.666 13.377 1.598 121 2H5* C 12 2H5* C 12 -13.042 14.525 1.619 122 H4* C 12 H4* C 12 -13.729 12.180 1.947 123 H3* C 12 H3* C 12 -14.880 14.174 3.353 124 H2* C 12 H2* C 12 -13.204 14.152 5.095 125 2HO* C 12 2HO* C 12 -14.232 12.998 6.908 126 H1* C 12 H1* C 12 -13.502 11.142 5.270 127 1H4 C 12 1H4 C 12 -8.511 12.287 9.140 128 2H4 C 12 2H4 C 12 -7.496 12.415 7.722 129 H5 C 12 H5 C 12 -8.399 12.403 5.435 130 H6 C 12 H6 C 12 -10.414 12.274 4.123 131 1H5* U 13 1H5* U 13 -17.660 8.988 2.112 132 2H5* U 13 2H5* U 13 -16.471 9.315 3.388 133 H4* U 13 H4* U 13 -16.263 10.781 0.811 134 H3* U 13 H3* U 13 -16.308 8.121 0.404 135 H2* U 13 H2* U 13 -14.862 7.646 2.290 136 2HO* U 13 2HO* U 13 -13.234 7.733 -0.025 137 H1* U 13 H1* U 13 -12.967 9.794 1.250 138 H3 U 13 H3 U 13 -10.215 9.267 4.893 139 H5 U 13 H5 U 13 -14.129 8.799 6.415 140 H6 U 13 H6 U 13 -14.940 8.999 4.226 141 1H5* C 14 1H5* C 14 -12.207 10.085 -1.091 142 2H5* C 14 2H5* C 14 -12.008 9.577 -2.786 143 H4* C 14 H4* C 14 -9.816 9.533 -1.994 144 H3* C 14 H3* C 14 -10.885 6.762 -1.400 145 H2* C 14 H2* C 14 -8.676 6.198 -0.675 146 2HO* C 14 2HO* C 14 -7.779 8.724 -1.652 147 H1* C 14 H1* C 14 -8.233 8.744 0.478 148 1H4 C 14 1H4 C 14 -9.440 4.837 5.390 149 2H4 C 14 2H4 C 14 -11.155 5.023 5.116 150 H5 C 14 H5 C 14 -12.083 6.245 3.207 151 H6 C 14 H6 C 14 -11.504 7.504 1.240 152 1H5* A 15 1H5* A 15 -7.327 6.313 -3.426 153 2H5* A 15 2H5* A 15 -7.481 5.167 -4.782 154 H4* A 15 H4* A 15 -5.541 4.594 -3.457 155 H3* A 15 H3* A 15 -7.866 2.703 -3.063 156 H2* A 15 H2* A 15 -6.480 1.348 -1.642 157 2HO* A 15 2HO* A 15 -4.246 1.798 -1.468 158 H1* A 15 H1* A 15 -5.422 3.506 -0.289 159 H8 A 15 H8 A 15 -8.997 4.281 -1.087 160 1H6 A 15 1H6 A 15 -10.418 1.016 4.043 161 2H6 A 15 2H6 A 15 -11.062 2.088 2.817 162 H2 A 15 H2 A 15 -6.052 0.458 3.049 163 1H5* C 16 1H5* C 16 -4.679 0.241 -4.411 164 2H5* C 16 2H5* C 16 -5.240 -0.990 -5.576 165 H4* C 16 H4* C 16 -4.031 -1.913 -3.589 166 H3* C 16 H3* C 16 -6.937 -2.680 -3.943 167 H2* C 16 H2* C 16 -6.659 -4.209 -2.124 168 2HO* C 16 2HO* C 16 -4.593 -4.620 -1.266 169 H1* C 16 H1* C 16 -5.200 -2.399 -0.606 170 1H4 C 16 1H4 C 16 -11.317 -2.001 1.243 171 2H4 C 16 2H4 C 16 -11.497 -0.579 0.235 172 H5 C 16 H5 C 16 -9.742 0.194 -1.309 173 H6 C 16 H6 C 16 -7.524 -0.269 -2.146 174 1H5* G 17 1H5* G 17 -4.565 -6.203 -3.746 175 2H5* G 17 2H5* G 17 -5.061 -7.394 -4.975 176 H4* G 17 H4* G 17 -4.873 -8.459 -2.795 177 H3* G 17 H3* G 17 -7.736 -8.097 -3.705 178 H2* G 17 H2* G 17 -8.418 -9.377 -1.789 179 2HO* G 17 2HO* G 17 -6.774 -10.278 -0.414 180 H1* G 17 H1* G 17 -6.769 -8.001 -0.076 181 H8 G 17 H8 G 17 -7.982 -5.560 -2.698 182 H1 G 17 H1 G 17 -12.297 -6.723 1.882 183 1H2 G 17 1H2 G 17 -11.646 -8.433 3.128 184 2H2 G 17 2H2 G 17 -10.143 -9.277 2.836 185 1H5* G 18 1H5* G 18 -7.511 -12.076 -2.787 186 2H5* G 18 2H5* G 18 -8.280 -13.103 -4.025 187 H4* G 18 H4* G 18 -9.170 -13.499 -1.743 188 H3* G 18 H3* G 18 -11.111 -12.262 -3.710 189 H2* G 18 H2* G 18 -12.819 -12.524 -2.063 190 2HO* G 18 2HO* G 18 -10.893 -14.178 -0.729 191 H1* G 18 H1* G 18 -11.111 -11.836 0.067 192 H8 G 18 H8 G 18 -10.605 -9.429 -2.808 193 H1 G 18 H1 G 18 -15.758 -8.095 0.754 194 1H2 G 18 1H2 G 18 -16.167 -9.758 2.152 195 2H2 G 18 2H2 G 18 -15.178 -11.199 2.203 196 1H5* G 19 1H5* G 19 -14.393 -15.195 -5.936 197 2H5* G 19 2H5* G 19 -14.163 -13.429 -5.807 198 H4* G 19 H4* G 19 -15.830 -15.162 -3.958 199 H3* G 19 H3* G 19 -16.615 -13.142 -6.073 200 H2* G 19 H2* G 19 -18.566 -12.656 -4.768 201 2HO* G 19 2HO* G 19 -18.909 -13.894 -2.806 202 H1* G 19 H1* G 19 -17.161 -12.529 -2.409 203 H8 G 19 H8 G 19 -15.681 -11.288 -5.794 204 H1 G 19 H1 G 19 -18.091 -6.731 -2.006 205 1H2 G 19 1H2 G 19 -18.989 -7.629 -0.210 206 2H2 G 19 2H2 G 19 -18.999 -9.355 0.067 207 1H5* U 20 1H5* U 20 -18.536 -12.639 -8.551 208 2H5* U 20 2H5* U 20 -18.783 -13.240 -6.893 209 H4* U 20 H4* U 20 -20.685 -13.450 -9.241 210 H3* U 20 H3* U 20 -20.865 -12.104 -6.536 211 H2* U 20 H2* U 20 -23.220 -12.444 -6.573 212 2HO* U 20 2HO* U 20 -23.497 -11.773 -8.805 213 H1* U 20 H1* U 20 -23.047 -14.951 -7.859 214 H3 U 20 H3 U 20 -24.402 -16.826 -4.044 215 H5 U 20 H5 U 20 -21.359 -14.236 -2.739 216 H6 U 20 H6 U 20 -21.060 -13.527 -5.043 217 1H5* G 21 1H5* G 21 -22.116 -8.303 -5.506 218 2H5* G 21 2H5* G 21 -21.156 -9.675 -4.883 219 H4* G 21 H4* G 21 -24.128 -9.233 -4.467 220 H3* G 21 H3* G 21 -21.769 -8.937 -2.596 221 H2* G 21 H2* G 21 -23.199 -9.614 -0.803 222 2HO* G 21 2HO* G 21 -25.122 -8.534 -1.468 223 H1* G 21 H1* G 21 -24.257 -11.706 -2.156 224 H8 G 21 H8 G 21 -20.579 -11.000 -3.030 225 H1 G 21 H1 G 21 -21.430 -15.002 1.881 226 1H2 G 21 1H2 G 21 -23.572 -15.111 2.420 227 2H2 G 21 2H2 G 21 -24.795 -14.192 1.573 228 1H5* A 22 1H5* A 22 -24.710 -5.996 -0.916 229 2H5* A 22 2H5* A 22 -23.912 -5.002 0.333 230 H4* A 22 H4* A 22 -25.666 -6.731 1.104 231 H3* A 22 H3* A 22 -22.879 -6.750 2.276 232 H2* A 22 H2* A 22 -23.674 -8.407 3.841 233 2HO* A 22 2HO* A 22 -25.840 -7.480 4.061 234 H1* A 22 H1* A 22 -24.879 -9.870 1.845 235 H8 A 22 H8 A 22 -21.888 -8.486 0.139 236 1H6 A 22 1H6 A 22 -18.395 -12.707 2.935 237 2H6 A 22 2H6 A 22 -18.459 -11.494 1.677 238 H2 A 22 H2 A 22 -22.390 -12.734 4.897 239 1H5* C 23 1H5* C 23 -23.614 -6.578 5.063 240 2H5* C 23 2H5* C 23 -22.721 -5.708 6.333 241 H4* C 23 H4* C 23 -22.027 -8.113 5.905 242 H3* C 23 H3* C 23 -19.963 -5.928 5.568 243 H2* C 23 H2* C 23 -18.329 -7.667 5.330 244 2HO* C 23 2HO* C 23 -20.463 -9.456 6.016 245 H1* C 23 H1* C 23 -19.944 -9.177 3.653 246 1H4 C 23 1H4 C 23 -16.195 -5.591 -0.081 247 2H4 C 23 2H4 C 23 -17.421 -4.342 -0.111 248 H5 C 23 H5 C 23 -19.462 -4.445 1.264 249 H6 C 23 H6 C 23 -20.686 -5.767 2.883 250 1H5* C 24 1H5* C 24 -18.405 -8.626 8.366 251 2H5* C 24 2H5* C 24 -17.517 -7.797 9.672 252 H4* C 24 H4* C 24 -16.156 -9.525 8.525 253 H3* C 24 H3* C 24 -15.236 -6.675 8.074 254 H2* C 24 H2* C 24 -13.287 -7.607 7.041 255 2HO* C 24 2HO* C 24 -12.941 -9.890 7.122 256 H1* C 24 H1* C 24 -14.753 -9.597 5.722 257 1H4 C 24 1H4 C 24 -13.850 -4.995 1.399 258 2H4 C 24 2H4 C 24 -15.115 -4.024 2.120 259 H5 C 24 H5 C 24 -16.286 -4.675 4.182 260 H6 C 24 H6 C 24 -16.448 -6.363 5.900 261 1H5* G 25 1H5* G 25 -12.030 -8.891 9.605 262 2H5* G 25 2H5* G 25 -11.195 -8.006 10.906 263 H4* G 25 H4* G 25 -9.598 -8.886 9.271 264 H3* G 25 H3* G 25 -9.925 -5.877 9.152 265 H2* G 25 H2* G 25 -8.110 -5.842 7.593 266 2HO* G 25 2HO* G 25 -6.970 -7.804 7.141 267 H1* G 25 H1* G 25 -9.048 -8.016 6.172 268 H8 G 25 H8 G 25 -12.096 -6.043 7.116 269 H1 G 25 H1 G 25 -8.779 -3.334 2.347 270 1H2 G 25 1H2 G 25 -6.797 -4.305 2.162 271 2H2 G 25 2H2 G 25 -6.297 -5.619 3.202 272 1H5* U 26 1H5* U 26 -5.854 -6.415 9.433 273 2H5* U 26 2H5* U 26 -5.082 -5.132 10.403 274 H4* U 26 H4* U 26 -4.350 -5.346 7.957 275 H3* U 26 H3* U 26 -5.437 -2.712 8.977 276 H2* U 26 H2* U 26 -4.873 -1.755 6.862 277 2HO* U 26 2HO* U 26 -3.547 -2.867 5.396 278 H1* U 26 H1* U 26 -5.631 -4.039 5.412 279 H3 U 26 H3 U 26 -8.300 -0.450 4.287 280 H5 U 26 H5 U 26 -10.136 -2.272 7.614 281 H6 U 26 H6 U 26 -8.146 -3.627 7.887 282 1H5* G 27 1H5* G 27 -1.580 -2.441 7.192 283 2H5* G 27 2H5* G 27 -0.532 -1.156 7.845 284 H4* G 27 H4* G 27 -1.202 -1.296 5.266 285 H3* G 27 H3* G 27 -0.028 0.727 6.768 286 H2* G 27 H2* G 27 -2.055 1.812 7.304 287 2HO* G 27 2HO* G 27 -0.793 3.342 6.124 288 H1* G 27 H1* G 27 -3.041 1.293 4.498 289 H8 G 27 H8 G 27 -4.515 0.448 7.939 290 H1 G 27 H1 G 27 -7.793 4.767 4.548 291 1H2 G 27 1H2 G 27 -6.678 5.288 2.705 292 2H2 G 27 2H2 G 27 -5.139 4.555 2.316 293 1H5* G 28 1H5* G 28 -1.568 2.063 1.699 294 2H5* G 28 2H5* G 28 -1.443 0.615 0.671 295 H4* G 28 H4* G 28 -0.679 2.332 -0.706 296 H3* G 28 H3* G 28 1.642 0.957 0.620 297 H2* G 28 H2* G 28 3.201 2.502 -0.281 298 2HO* G 28 2HO* G 28 2.530 4.058 -1.832 299 H1* G 28 H1* G 28 1.811 4.728 0.267 300 H8 G 28 H8 G 28 0.737 2.699 3.165 301 H1 G 28 H1 G 28 6.870 4.414 3.648 302 1H2 G 28 1H2 G 28 7.613 5.181 1.717 303 2H2 G 28 2H2 G 28 6.592 5.275 0.297 304 1H5* U 29 1H5* U 29 2.808 1.135 -3.498 305 2H5* U 29 2H5* U 29 3.518 -0.417 -4.022 306 H4* U 29 H4* U 29 5.012 1.526 -4.423 307 H3* U 29 H3* U 29 5.953 -0.487 -2.367 308 H2* U 29 H2* U 29 8.002 0.713 -2.252 309 2HO* U 29 2HO* U 29 8.515 2.307 -3.782 310 H1* U 29 H1* U 29 6.790 3.214 -2.443 311 H3 U 29 H3 U 29 8.826 2.546 1.712 312 H5 U 29 H5 U 29 4.908 1.027 2.047 313 H6 U 29 H6 U 29 4.671 1.298 -0.338 314 1H5* C 30 1H5* C 30 9.180 0.019 -5.004 315 2H5* C 30 2H5* C 30 10.120 -1.490 -5.154 316 H4* C 30 H4* C 30 11.318 0.580 -4.192 317 H3* C 30 H3* C 30 11.280 -2.056 -2.710 318 H2* C 30 H2* C 30 12.699 -1.100 -1.051 319 2HO* C 30 2HO* C 30 13.698 0.920 -1.396 320 H1* C 30 H1* C 30 11.406 1.361 -1.035 321 1H4 C 30 1H4 C 30 9.091 -2.148 3.823 322 2H4 C 30 2H4 C 30 7.685 -2.489 2.843 323 H5 C 30 H5 C 30 7.513 -1.845 0.486 324 H6 C 30 H6 C 30 8.661 -0.770 -1.343 325 1H5* C 31 1H5* C 31 15.254 -1.122 -2.365 326 2H5* C 31 2H5* C 31 16.193 -2.436 -3.124 327 H4* C 31 H4* C 31 17.120 -2.087 -0.951 328 H3* C 31 H3* C 31 15.266 -4.481 -0.933 329 H2* C 31 H2* C 31 15.956 -4.898 1.325 330 2HO* C 31 2HO* C 31 18.215 -4.241 0.930 331 H1* C 31 H1* C 31 15.712 -2.266 2.074 332 1H4 C 31 1H4 C 31 10.026 -4.882 3.288 333 2H4 C 31 2H4 C 31 9.511 -4.563 1.647 334 H5 C 31 H5 C 31 11.020 -3.667 -0.071 335 H6 C 31 H6 C 31 13.278 -2.919 -0.496 336 1H5* U 32 1H5* U 32 18.206 -6.455 1.075 337 2H5* U 32 2H5* U 32 18.833 -7.611 -0.127 338 H4* U 32 H4* U 32 18.475 -8.920 1.777 339 H3* U 32 H3* U 32 15.981 -9.128 0.080 340 H2* U 32 H2* U 32 15.181 -10.744 1.618 341 2HO* U 32 2HO* U 32 16.513 -11.520 3.287 342 H1* U 32 H1* U 32 15.838 -9.323 3.804 343 H3 U 32 H3 U 32 11.372 -9.170 3.346 344 H5 U 32 H5 U 32 12.760 -6.090 0.875 345 H6 U 32 H6 U 32 15.047 -6.919 1.233 346 1H5* C 33 1H5* C 33 17.265 -13.098 1.249 347 2H5* C 33 2H5* C 33 16.665 -14.296 0.075 348 H4* C 33 H4* C 33 15.895 -14.570 2.501 349 H3* C 33 H3* C 33 13.792 -14.261 0.339 350 H2* C 33 H2* C 33 12.184 -14.800 2.021 351 2HO* C 33 2HO* C 33 12.863 -15.442 4.108 352 H1* C 33 H1* C 33 13.340 -13.161 3.913 353 1H4 C 33 1H4 C 33 8.763 -9.730 1.069 354 2H4 C 33 2H4 C 33 9.900 -9.207 -0.156 355 H5 C 33 H5 C 33 12.202 -10.078 -0.303 356 H6 C 33 H6 C 33 13.785 -11.609 0.695 357 1H5* C 34 1H5* C 34 12.968 -17.733 2.803 358 2H5* C 34 2H5* C 34 12.249 -18.994 1.775 359 H4* C 34 H4* C 34 10.916 -18.342 3.834 360 H3* C 34 H3* C 34 9.635 -18.038 1.106 361 H2* C 34 H2* C 34 7.587 -17.503 2.217 362 2HO* C 34 2HO* C 34 7.455 -17.720 4.520 363 H1* C 34 H1* C 34 8.822 -15.913 4.149 364 1H4 C 34 1H4 C 34 6.680 -11.993 -0.431 365 2H4 C 34 2H4 C 34 8.223 -12.114 -1.250 366 H5 C 34 H5 C 34 10.002 -13.655 -0.530 367 H6 C 34 H6 C 34 10.601 -15.332 1.100 Start of MODEL 14 1 1H5* G 1 1H5* G 1 -1.652 -12.215 1.460 2 2H5* G 1 2H5* G 1 -0.250 -12.390 0.404 3 H4* G 1 H4* G 1 -1.207 -14.461 2.391 4 H3* G 1 H3* G 1 1.082 -12.486 2.533 5 H2* G 1 H2* G 1 2.299 -14.099 3.805 6 2HO* G 1 2HO* G 1 1.315 -15.962 4.584 7 H1* G 1 H1* G 1 1.649 -16.188 2.172 8 H8 G 1 H8 G 1 2.077 -13.215 -0.082 9 H1 G 1 H1 G 1 7.660 -15.593 1.935 10 1H2 G 1 1H2 G 1 7.329 -17.043 3.570 11 2H2 G 1 2H2 G 1 5.728 -17.438 4.156 12 1H5* G 2 1H5* G 2 0.588 -13.821 6.651 13 2H5* G 2 2H5* G 2 0.994 -12.445 7.714 14 H4* G 2 H4* G 2 2.373 -14.578 8.008 15 H3* G 2 H3* G 2 3.782 -11.973 7.372 16 H2* G 2 H2* G 2 5.852 -13.122 7.712 17 2HO* G 2 2HO* G 2 5.852 -15.260 8.554 18 H1* G 2 H1* G 2 5.008 -15.419 6.384 19 H8 G 2 H8 G 2 3.719 -12.771 4.163 20 H1 G 2 H1 G 2 10.099 -13.071 3.922 21 1H2 G 2 1H2 G 2 10.878 -14.275 5.606 22 2H2 G 2 2H2 G 2 9.822 -15.018 6.786 23 1H5* A 3 1H5* A 3 5.693 -13.240 11.216 24 2H5* A 3 2H5* A 3 5.750 -11.728 12.165 25 H4* A 3 H4* A 3 7.955 -12.825 12.061 26 H3* A 3 H3* A 3 7.770 -10.241 10.494 27 H2* A 3 H2* A 3 10.158 -10.401 10.174 28 2HO* A 3 2HO* A 3 11.292 -12.156 11.165 29 H1* A 3 H1* A 3 10.027 -13.032 9.430 30 H8 A 3 H8 A 3 6.853 -11.534 8.108 31 1H6 A 3 1H6 A 3 10.189 -9.249 3.421 32 2H6 A 3 2H6 A 3 8.573 -9.535 4.029 33 H2 A 3 H2 A 3 13.002 -10.810 6.552 34 1H5* G 4 1H5* G 4 10.991 -9.617 13.119 35 2H5* G 4 2H5* G 4 10.958 -7.977 13.813 36 H4* G 4 H4* G 4 13.125 -8.493 12.752 37 H3* G 4 H3* G 4 11.483 -6.397 11.310 38 H2* G 4 H2* G 4 13.380 -6.043 9.876 39 2HO* G 4 2HO* G 4 15.047 -6.305 11.459 40 H1* G 4 H1* G 4 13.771 -8.717 9.462 41 H8 G 4 H8 G 4 10.068 -8.440 9.780 42 H1 G 4 H1 G 4 12.211 -6.115 4.230 43 1H2 G 4 1H2 G 4 14.406 -5.881 4.294 44 2H2 G 4 2H2 G 4 15.347 -6.314 5.704 45 1H5* G 5 1H5* G 5 15.255 -4.125 11.942 46 2H5* G 5 2H5* G 5 14.672 -2.524 12.469 47 H4* G 5 H4* G 5 16.220 -2.496 10.478 48 H3* G 5 H3* G 5 13.409 -1.431 10.095 49 H2* G 5 H2* G 5 14.069 -0.724 7.897 50 2HO* G 5 2HO* G 5 16.276 -1.000 7.249 51 H1* G 5 H1* G 5 15.318 -3.100 7.317 52 H8 G 5 H8 G 5 12.408 -4.202 9.366 53 H1 G 5 H1 G 5 10.627 -2.246 3.543 54 1H2 G 5 1H2 G 5 12.296 -1.195 2.537 55 2H2 G 5 2H2 G 5 13.848 -0.967 3.310 56 1H5* A 6 1H5* A 6 16.349 1.668 8.816 57 2H5* A 6 2H5* A 6 15.613 3.266 9.121 58 H4* A 6 H4* A 6 16.417 2.701 6.717 59 H3* A 6 H3* A 6 13.614 3.725 7.242 60 H2* A 6 H2* A 6 13.319 3.836 4.872 61 2HO* A 6 2HO* A 6 15.107 3.439 3.479 62 H1* A 6 H1* A 6 14.547 1.410 4.413 63 H8 A 6 H8 A 6 12.438 1.000 7.512 64 1H6 A 6 1H6 A 6 7.592 0.229 3.758 65 2H6 A 6 2H6 A 6 8.169 0.102 5.402 66 H2 A 6 H2 A 6 11.058 1.669 1.297 67 1H5* C 7 1H5* C 7 15.261 5.975 4.092 68 2H5* C 7 2H5* C 7 14.680 7.659 4.144 69 H4* C 7 H4* C 7 14.181 6.375 2.010 70 H3* C 7 H3* C 7 11.861 7.475 3.600 71 H2* C 7 H2* C 7 10.435 6.845 1.773 72 2HO* C 7 2HO* C 7 11.846 7.438 0.042 73 H1* C 7 H1* C 7 11.690 4.389 1.443 74 1H4 C 7 1H4 C 7 6.632 3.414 5.231 75 2H4 C 7 2H4 C 7 7.644 3.673 6.636 76 H5 C 7 H5 C 7 9.985 4.412 6.478 77 H6 C 7 H6 C 7 11.744 5.034 4.940 78 1H5* A 8 1H5* A 8 9.815 11.165 0.305 79 2H5* A 8 2H5* A 8 9.056 10.337 1.691 80 H4* A 8 H4* A 8 8.943 9.653 -1.241 81 H3* A 8 H3* A 8 6.918 10.149 0.934 82 H2* A 8 H2* A 8 5.419 8.520 0.030 83 2HO* A 8 2HO* A 8 5.973 7.449 -1.948 84 H1* A 8 H1* A 8 7.226 6.591 -0.236 85 H8 A 8 H8 A 8 9.030 7.930 2.562 86 1H6 A 8 1H6 A 8 4.396 6.467 6.389 87 2H6 A 8 2H6 A 8 6.077 6.936 6.282 88 H2 A 8 H2 A 8 2.872 6.254 2.186 89 1H5* U 9 1H5* U 9 4.672 9.713 -1.735 90 2H5* U 9 2H5* U 9 3.723 11.069 -2.401 91 H4* U 9 H4* U 9 2.313 9.116 -2.042 92 H3* U 9 H3* U 9 1.778 11.612 -0.590 93 H2* U 9 H2* U 9 0.726 10.674 1.246 94 2HO* U 9 2HO* U 9 -0.302 8.698 -0.503 95 H1* U 9 H1* U 9 1.414 7.974 1.056 96 H3 U 9 H3 U 9 1.883 9.769 5.336 97 H5 U 9 H5 U 9 5.555 10.267 3.349 98 H6 U 9 H6 U 9 4.447 9.620 1.294 99 1H5* U 10 1H5* U 10 -2.706 10.178 0.117 100 2H5* U 10 2H5* U 10 -3.240 11.186 -1.252 101 H4* U 10 H4* U 10 -4.319 11.594 1.070 102 H3* U 10 H3* U 10 -3.999 13.403 -0.994 103 H2* U 10 H2* U 10 -1.817 14.101 -0.206 104 2HO* U 10 2HO* U 10 -3.115 15.988 -0.432 105 H1* U 10 H1* U 10 -3.047 14.248 2.556 106 H3 U 10 H3 U 10 0.705 15.388 4.746 107 H5 U 10 H5 U 10 2.183 13.208 1.461 108 H6 U 10 H6 U 10 -0.094 12.927 0.706 109 1H5* C 11 1H5* C 11 -7.500 15.790 2.610 110 2H5* C 11 2H5* C 11 -6.075 14.719 2.630 111 H4* C 11 H4* C 11 -8.865 13.753 3.278 112 H3* C 11 H3* C 11 -7.470 15.509 4.985 113 H2* C 11 H2* C 11 -5.710 13.979 5.425 114 2HO* C 11 2HO* C 11 -6.198 12.817 7.361 115 H1* C 11 H1* C 11 -7.759 11.756 5.356 116 1H4 C 11 1H4 C 11 -2.610 8.033 5.745 117 2H4 C 11 2H4 C 11 -1.717 9.054 4.641 118 H5 C 11 H5 C 11 -2.644 11.119 3.700 119 H6 C 11 H6 C 11 -4.581 12.563 3.635 120 1H5* C 12 1H5* C 12 -11.299 12.859 4.889 121 2H5* C 12 2H5* C 12 -12.425 14.052 4.181 122 H4* C 12 H4* C 12 -13.857 12.436 5.065 123 H3* C 12 H3* C 12 -14.143 14.846 6.264 124 H2* C 12 H2* C 12 -12.550 14.434 8.009 125 2HO* C 12 2HO* C 12 -13.780 13.885 9.922 126 H1* C 12 H1* C 12 -13.739 11.696 8.511 127 1H4 C 12 1H4 C 12 -8.358 11.239 11.902 128 2H4 C 12 2H4 C 12 -7.397 11.706 10.518 129 H5 C 12 H5 C 12 -8.388 12.359 8.364 130 H6 C 12 H6 C 12 -10.470 12.679 7.181 131 1H5* U 13 1H5* U 13 -17.164 10.027 5.654 132 2H5* U 13 2H5* U 13 -15.785 10.931 6.325 133 H4* U 13 H4* U 13 -15.670 11.566 3.667 134 H3* U 13 H3* U 13 -17.335 9.551 3.275 135 H2* U 13 H2* U 13 -16.250 8.168 4.979 136 2HO* U 13 2HO* U 13 -15.267 7.282 2.458 137 H1* U 13 H1* U 13 -13.652 8.569 3.493 138 H3 U 13 H3 U 13 -11.954 5.692 6.675 139 H5 U 13 H5 U 13 -13.486 8.984 8.829 140 H6 U 13 H6 U 13 -14.423 9.796 6.794 141 1H5* C 14 1H5* C 14 -13.558 11.207 2.412 142 2H5* C 14 2H5* C 14 -13.656 12.847 1.724 143 H4* C 14 H4* C 14 -11.914 12.373 0.141 144 H3* C 14 H3* C 14 -12.172 9.496 1.029 145 H2* C 14 H2* C 14 -9.835 9.163 0.717 146 2HO* C 14 2HO* C 14 -8.564 10.818 -0.291 147 H1* C 14 H1* C 14 -9.063 11.573 1.778 148 1H4 C 14 1H4 C 14 -8.810 7.206 6.463 149 2H4 C 14 2H4 C 14 -10.327 7.829 7.055 150 H5 C 14 H5 C 14 -11.634 9.505 5.851 151 H6 C 14 H6 C 14 -11.736 10.857 3.855 152 1H5* A 15 1H5* A 15 -9.353 9.149 -2.111 153 2H5* A 15 2H5* A 15 -9.929 7.794 -3.109 154 H4* A 15 H4* A 15 -7.557 7.670 -2.021 155 H3* A 15 H3* A 15 -9.588 5.444 -1.963 156 H2* A 15 H2* A 15 -8.122 4.063 -0.660 157 2HO* A 15 2HO* A 15 -5.962 4.775 -0.253 158 H1* A 15 H1* A 15 -7.394 6.023 1.081 159 H8 A 15 H8 A 15 -10.897 6.153 -0.387 160 1H6 A 15 1H6 A 15 -12.620 3.189 4.831 161 2H6 A 15 2H6 A 15 -13.223 3.941 3.369 162 H2 A 15 H2 A 15 -8.138 3.605 4.729 163 1H5* C 16 1H5* C 16 -6.128 3.494 -3.187 164 2H5* C 16 2H5* C 16 -6.442 2.307 -4.484 165 H4* C 16 H4* C 16 -5.405 1.367 -2.386 166 H3* C 16 H3* C 16 -8.118 0.340 -3.253 167 H2* C 16 H2* C 16 -7.990 -1.269 -1.490 168 2HO* C 16 2HO* C 16 -6.054 -1.553 -0.321 169 H1* C 16 H1* C 16 -6.953 0.532 0.344 170 1H4 C 16 1H4 C 16 -13.257 0.269 1.309 171 2H4 C 16 2H4 C 16 -13.456 1.688 0.303 172 H5 C 16 H5 C 16 -11.602 2.695 -0.960 173 H6 C 16 H6 C 16 -9.247 2.507 -1.476 174 1H5* G 17 1H5* G 17 -5.126 -2.800 -2.777 175 2H5* G 17 2H5* G 17 -5.290 -4.049 -4.038 176 H4* G 17 H4* G 17 -5.056 -5.006 -1.765 177 H3* G 17 H3* G 17 -7.731 -5.432 -3.116 178 H2* G 17 H2* G 17 -8.370 -6.828 -1.265 179 2HO* G 17 2HO* G 17 -6.828 -7.312 0.370 180 H1* G 17 H1* G 17 -7.455 -5.064 0.620 181 H8 G 17 H8 G 17 -8.739 -2.960 -2.228 182 H1 G 17 H1 G 17 -13.421 -5.317 1.429 183 1H2 G 17 1H2 G 17 -12.624 -6.856 2.805 184 2H2 G 17 2H2 G 17 -10.931 -7.294 2.828 185 1H5* G 18 1H5* G 18 -6.586 -9.149 -1.826 186 2H5* G 18 2H5* G 18 -6.866 -10.413 -3.051 187 H4* G 18 H4* G 18 -7.937 -10.897 -0.853 188 H3* G 18 H3* G 18 -9.798 -10.434 -3.193 189 H2* G 18 H2* G 18 -11.617 -11.059 -1.776 190 2HO* G 18 2HO* G 18 -10.539 -12.849 -0.744 191 H1* G 18 H1* G 18 -10.584 -9.708 0.451 192 H8 G 18 H8 G 18 -10.215 -7.598 -2.688 193 H1 G 18 H1 G 18 -16.043 -7.281 -0.053 194 1H2 G 18 1H2 G 18 -16.250 -8.805 1.537 195 2H2 G 18 2H2 G 18 -14.952 -9.905 1.945 196 1H5* G 19 1H5* G 19 -11.797 -14.825 -4.982 197 2H5* G 19 2H5* G 19 -12.153 -13.116 -5.356 198 H4* G 19 H4* G 19 -13.441 -14.849 -3.230 199 H3* G 19 H3* G 19 -14.502 -13.511 -5.729 200 H2* G 19 H2* G 19 -16.641 -13.349 -4.662 201 2HO* G 19 2HO* G 19 -17.096 -14.455 -2.790 202 H1* G 19 H1* G 19 -15.585 -12.496 -2.266 203 H8 G 19 H8 G 19 -14.149 -11.416 -5.724 204 H1 G 19 H1 G 19 -18.022 -7.186 -2.892 205 1H2 G 19 1H2 G 19 -18.827 -8.025 -1.021 206 2H2 G 19 2H2 G 19 -18.408 -9.626 -0.458 207 1H5* U 20 1H5* U 20 -16.079 -13.945 -8.424 208 2H5* U 20 2H5* U 20 -16.324 -14.273 -6.693 209 H4* U 20 H4* U 20 -17.885 -15.397 -9.031 210 H3* U 20 H3* U 20 -18.655 -13.716 -6.633 211 H2* U 20 H2* U 20 -20.834 -14.653 -6.760 212 2HO* U 20 2HO* U 20 -21.439 -15.892 -8.634 213 H1* U 20 H1* U 20 -19.896 -17.201 -7.565 214 H3 U 20 H3 U 20 -21.044 -18.871 -3.597 215 H5 U 20 H5 U 20 -19.292 -15.203 -2.535 216 H6 U 20 H6 U 20 -18.873 -14.792 -4.908 217 1H5* G 21 1H5* G 21 -20.068 -9.722 -6.067 218 2H5* G 21 2H5* G 21 -19.376 -11.195 -5.337 219 H4* G 21 H4* G 21 -22.341 -10.870 -5.793 220 H3* G 21 H3* G 21 -20.723 -9.940 -3.424 221 H2* G 21 H2* G 21 -22.454 -10.680 -1.956 222 2HO* G 21 2HO* G 21 -23.946 -11.171 -4.345 223 H1* G 21 H1* G 21 -22.794 -13.073 -3.146 224 H8 G 21 H8 G 21 -19.149 -11.949 -3.392 225 H1 G 21 H1 G 21 -20.593 -15.004 2.033 226 1H2 G 21 1H2 G 21 -22.775 -15.329 2.171 227 2H2 G 21 2H2 G 21 -23.879 -14.790 0.928 228 1H5* A 22 1H5* A 22 -24.513 -8.108 -2.986 229 2H5* A 22 2H5* A 22 -24.506 -6.609 -2.017 230 H4* A 22 H4* A 22 -25.799 -8.468 -0.971 231 H3* A 22 H3* A 22 -23.318 -7.566 0.505 232 H2* A 22 H2* A 22 -24.010 -8.992 2.318 233 2HO* A 22 2HO* A 22 -26.359 -9.409 0.725 234 H1* A 22 H1* A 22 -24.483 -11.099 0.645 235 H8 A 22 H8 A 22 -21.601 -9.284 -0.925 236 1H6 A 22 1H6 A 22 -17.907 -12.047 3.179 237 2H6 A 22 2H6 A 22 -17.966 -11.094 1.715 238 H2 A 22 H2 A 22 -22.144 -12.737 4.417 239 1H5* C 23 1H5* C 23 -24.605 -7.047 3.088 240 2H5* C 23 2H5* C 23 -24.149 -5.774 4.245 241 H4* C 23 H4* C 23 -22.937 -7.996 4.469 242 H3* C 23 H3* C 23 -21.313 -5.495 3.969 243 H2* C 23 H2* C 23 -19.349 -6.822 4.339 244 2HO* C 23 2HO* C 23 -21.161 -8.927 5.046 245 H1* C 23 H1* C 23 -20.270 -8.922 2.797 246 1H4 C 23 1H4 C 23 -16.804 -5.220 -1.093 247 2H4 C 23 2H4 C 23 -18.230 -4.279 -1.469 248 H5 C 23 H5 C 23 -20.384 -4.607 -0.339 249 H6 C 23 H6 C 23 -21.558 -5.906 1.330 250 1H5* C 24 1H5* C 24 -19.902 -7.385 7.525 251 2H5* C 24 2H5* C 24 -19.247 -6.206 8.693 252 H4* C 24 H4* C 24 -17.630 -8.000 8.018 253 H3* C 24 H3* C 24 -16.899 -5.162 7.248 254 H2* C 24 H2* C 24 -14.756 -6.029 6.598 255 2HO* C 24 2HO* C 24 -15.658 -8.512 7.707 256 H1* C 24 H1* C 24 -15.861 -8.237 5.333 257 1H4 C 24 1H4 C 24 -15.051 -3.866 0.751 258 2H4 C 24 2H4 C 24 -16.528 -3.060 1.223 259 H5 C 24 H5 C 24 -17.847 -3.736 3.175 260 H6 C 24 H6 C 24 -17.984 -5.295 5.011 261 1H5* G 25 1H5* G 25 -13.822 -6.929 9.569 262 2H5* G 25 2H5* G 25 -12.896 -5.756 10.538 263 H4* G 25 H4* G 25 -11.551 -7.200 8.941 264 H3* G 25 H3* G 25 -11.442 -4.189 8.651 265 H2* G 25 H2* G 25 -9.746 -4.497 6.982 266 2HO* G 25 2HO* G 25 -8.962 -6.615 6.544 267 H1* G 25 H1* G 25 -11.124 -6.463 5.680 268 H8 G 25 H8 G 25 -13.928 -4.307 6.779 269 H1 G 25 H1 G 25 -10.420 -1.467 2.235 270 1H2 G 25 1H2 G 25 -8.508 -2.560 1.967 271 2H2 G 25 2H2 G 25 -8.103 -3.981 2.900 272 1H5* U 26 1H5* U 26 -7.629 -5.051 8.413 273 2H5* U 26 2H5* U 26 -6.601 -3.993 9.417 274 H4* U 26 H4* U 26 -6.118 -4.001 6.914 275 H3* U 26 H3* U 26 -6.788 -1.414 8.331 276 H2* U 26 H2* U 26 -6.416 -0.231 6.297 277 2HO* U 26 2HO* U 26 -5.417 -1.239 4.524 278 H1* U 26 H1* U 26 -7.597 -2.167 4.675 279 H3 U 26 H3 U 26 -9.911 1.890 4.861 280 H5 U 26 H5 U 26 -11.735 -0.746 7.594 281 H6 U 26 H6 U 26 -9.855 -2.242 7.306 282 1H5* G 27 1H5* G 27 -3.081 -1.552 6.071 283 2H5* G 27 2H5* G 27 -1.799 -0.451 6.637 284 H4* G 27 H4* G 27 -2.942 -0.451 4.130 285 H3* G 27 H3* G 27 -0.859 0.963 5.215 286 H2* G 27 H2* G 27 -2.247 2.533 6.339 287 2HO* G 27 2HO* G 27 -2.158 4.473 5.158 288 H1* G 27 H1* G 27 -3.940 2.763 3.836 289 H8 G 27 H8 G 27 -4.571 2.063 7.580 290 H1 G 27 H1 G 27 -7.547 7.191 5.205 291 1H2 G 27 1H2 G 27 -6.959 7.518 3.100 292 2H2 G 27 2H2 G 27 -5.839 6.454 2.278 293 1H5* G 28 1H5* G 28 -1.871 2.309 0.448 294 2H5* G 28 2H5* G 28 -2.152 0.806 -0.463 295 H4* G 28 H4* G 28 -0.931 1.988 -1.995 296 H3* G 28 H3* G 28 1.050 0.503 -0.284 297 H2* G 28 H2* G 28 2.882 1.568 -1.345 298 2HO* G 28 2HO* G 28 0.936 2.607 -3.162 299 H1* G 28 H1* G 28 1.880 4.055 -1.273 300 H8 G 28 H8 G 28 0.458 2.485 1.844 301 H1 G 28 H1 G 28 6.630 4.043 2.431 302 1H2 G 28 1H2 G 28 7.488 4.554 0.463 303 2H2 G 28 2H2 G 28 6.540 4.514 -1.007 304 1H5* U 29 1H5* U 29 2.348 -0.129 -4.285 305 2H5* U 29 2H5* U 29 2.942 -1.794 -4.532 306 H4* U 29 H4* U 29 4.612 -0.049 -5.125 307 H3* U 29 H3* U 29 5.306 -1.795 -2.751 308 H2* U 29 H2* U 29 7.437 -0.756 -2.739 309 2HO* U 29 2HO* U 29 8.098 0.572 -4.487 310 H1* U 29 H1* U 29 6.436 1.763 -3.427 311 H3 U 29 H3 U 29 8.374 1.840 0.817 312 H5 U 29 H5 U 29 4.434 0.440 1.360 313 H6 U 29 H6 U 29 4.224 0.296 -1.033 314 1H5* C 30 1H5* C 30 8.602 -1.850 -5.484 315 2H5* C 30 2H5* C 30 9.542 -3.354 -5.296 316 H4* C 30 H4* C 30 10.657 -1.042 -4.756 317 H3* C 30 H3* C 30 10.832 -3.457 -2.952 318 H2* C 30 H2* C 30 12.225 -2.215 -1.467 319 2HO* C 30 2HO* C 30 12.291 -0.209 -3.509 320 H1* C 30 H1* C 30 10.776 0.138 -1.689 321 1H4 C 30 1H4 C 30 8.758 -2.999 3.557 322 2H4 C 30 2H4 C 30 7.326 -3.445 2.662 323 H5 C 30 H5 C 30 7.058 -3.011 0.271 324 H6 C 30 H6 C 30 8.116 -2.080 -1.683 325 1H5* C 31 1H5* C 31 14.693 -2.199 -3.034 326 2H5* C 31 2H5* C 31 15.796 -3.522 -3.493 327 H4* C 31 H4* C 31 16.554 -2.520 -1.415 328 H3* C 31 H3* C 31 15.272 -5.236 -1.038 329 H2* C 31 H2* C 31 15.872 -5.136 1.278 330 2HO* C 31 2HO* C 31 17.204 -3.460 2.052 331 H1* C 31 H1* C 31 15.062 -2.530 1.583 332 1H4 C 31 1H4 C 31 9.998 -6.114 3.094 333 2H4 C 31 2H4 C 31 9.458 -6.052 1.432 334 H5 C 31 H5 C 31 10.791 -5.044 -0.364 335 H6 C 31 H6 C 31 12.871 -3.926 -0.864 336 1H5* U 32 1H5* U 32 18.273 -5.926 1.375 337 2H5* U 32 2H5* U 32 19.329 -7.132 0.596 338 H4* U 32 H4* U 32 19.009 -7.946 2.772 339 H3* U 32 H3* U 32 16.990 -9.291 0.971 340 H2* U 32 H2* U 32 16.337 -10.623 2.832 341 2HO* U 32 2HO* U 32 17.489 -10.474 4.809 342 H1* U 32 H1* U 32 16.220 -8.553 4.558 343 H3 U 32 H3 U 32 11.971 -9.698 3.589 344 H5 U 32 H5 U 32 13.111 -7.172 0.437 345 H6 U 32 H6 U 32 15.400 -7.246 1.297 346 1H5* C 33 1H5* C 33 18.992 -12.278 3.329 347 2H5* C 33 2H5* C 33 19.113 -13.807 2.421 348 H4* C 33 H4* C 33 17.950 -14.011 4.636 349 H3* C 33 H3* C 33 16.275 -14.590 2.179 350 H2* C 33 H2* C 33 14.577 -15.355 3.674 351 2HO* C 33 2HO* C 33 15.007 -15.496 5.925 352 H1* C 33 H1* C 33 14.893 -13.239 5.411 353 1H4 C 33 1H4 C 33 10.199 -11.587 1.414 354 2H4 C 33 2H4 C 33 11.368 -10.988 0.256 355 H5 C 33 H5 C 33 13.800 -11.234 0.564 356 H6 C 33 H6 C 33 15.509 -12.111 2.030 357 1H5* C 34 1H5* C 34 15.885 -17.816 5.012 358 2H5* C 34 2H5* C 34 15.761 -19.343 4.109 359 H4* C 34 H4* C 34 13.889 -18.908 5.742 360 H3* C 34 H3* C 34 13.183 -19.188 2.811 361 H2* C 34 H2* C 34 10.880 -19.144 3.448 362 2HO* C 34 2HO* C 34 10.300 -19.246 5.667 363 H1* C 34 H1* C 34 11.242 -17.130 5.346 364 1H4 C 34 1H4 C 34 9.184 -14.263 0.019 365 2H4 C 34 2H4 C 34 10.835 -14.109 -0.545 366 H5 C 34 H5 C 34 12.750 -15.115 0.632 367 H6 C 34 H6 C 34 13.401 -16.432 2.550 Start of MODEL 15 1 1H5* G 1 1H5* G 1 -3.280 -9.019 -2.805 2 2H5* G 1 2H5* G 1 -1.803 -9.321 -3.719 3 H4* G 1 H4* G 1 -3.274 -11.377 -2.051 4 H3* G 1 H3* G 1 -0.747 -9.813 -1.474 5 H2* G 1 H2* G 1 0.034 -11.696 -0.235 6 2HO* G 1 2HO* G 1 -1.357 -13.472 0.164 7 H1* G 1 H1* G 1 -0.782 -13.527 -2.106 8 H8 G 1 H8 G 1 0.510 -10.561 -4.010 9 H1 G 1 H1 G 1 5.211 -14.191 -1.622 10 1H2 G 1 1H2 G 1 4.389 -15.652 -0.165 11 2H2 G 1 2H2 G 1 2.681 -15.738 0.203 12 1H5* G 2 1H5* G 2 -1.902 -11.608 2.232 13 2H5* G 2 2H5* G 2 -1.440 -10.522 3.569 14 H4* G 2 H4* G 2 -0.440 -12.903 3.536 15 H3* G 2 H3* G 2 1.371 -10.480 3.720 16 H2* G 2 H2* G 2 3.187 -11.996 4.063 17 2HO* G 2 2HO* G 2 2.803 -14.198 4.469 18 H1* G 2 H1* G 2 2.249 -13.831 2.168 19 H8 G 2 H8 G 2 1.811 -10.786 0.231 20 H1 G 2 H1 G 2 8.029 -11.818 1.327 21 1H2 G 2 1H2 G 2 8.287 -13.325 2.924 22 2H2 G 2 2H2 G 2 6.925 -14.082 3.720 23 1H5* A 3 1H5* A 3 2.531 -12.965 7.008 24 2H5* A 3 2H5* A 3 2.354 -11.956 8.467 25 H4* A 3 H4* A 3 4.478 -13.093 8.575 26 H3* A 3 H3* A 3 4.833 -10.196 7.772 27 H2* A 3 H2* A 3 7.208 -10.543 8.012 28 2HO* A 3 2HO* A 3 7.963 -12.587 8.774 29 H1* A 3 H1* A 3 7.141 -12.917 6.625 30 H8 A 3 H8 A 3 4.596 -10.754 4.930 31 1H6 A 3 1H6 A 3 9.274 -7.969 1.993 32 2H6 A 3 2H6 A 3 7.538 -8.165 2.072 33 H2 A 3 H2 A 3 10.981 -10.527 5.265 34 1H5* G 4 1H5* G 4 7.395 -10.861 10.868 35 2H5* G 4 2H5* G 4 7.291 -9.600 12.120 36 H4* G 4 H4* G 4 9.611 -9.962 11.472 37 H3* G 4 H3* G 4 8.495 -7.361 10.403 38 H2* G 4 H2* G 4 10.723 -6.830 9.693 39 2HO* G 4 2HO* G 4 12.458 -8.226 10.262 40 H1* G 4 H1* G 4 11.161 -9.353 8.659 41 H8 G 4 H8 G 4 7.563 -8.497 7.963 42 H1 G 4 H1 G 4 11.644 -5.589 3.976 43 1H2 G 4 1H2 G 4 13.719 -5.807 4.710 44 2H2 G 4 2H2 G 4 14.099 -6.680 6.178 45 1H5* G 5 1H5* G 5 11.829 -6.250 12.830 46 2H5* G 5 2H5* G 5 11.518 -4.725 13.701 47 H4* G 5 H4* G 5 13.588 -4.661 12.326 48 H3* G 5 H3* G 5 11.344 -2.829 11.435 49 H2* G 5 H2* G 5 12.841 -1.915 9.815 50 2HO* G 5 2HO* G 5 15.073 -2.574 9.842 51 H1* G 5 H1* G 5 13.910 -4.379 9.116 52 H8 G 5 H8 G 5 10.208 -4.903 9.533 53 H1 G 5 H1 G 5 11.702 -1.947 4.056 54 1H2 G 5 1H2 G 5 13.818 -1.294 4.101 55 2H2 G 5 2H2 G 5 14.859 -1.594 5.473 56 1H5* A 6 1H5* A 6 14.684 -0.302 11.606 57 2H5* A 6 2H5* A 6 14.192 1.304 12.209 58 H4* A 6 H4* A 6 15.241 1.220 9.878 59 H3* A 6 H3* A 6 12.486 2.412 10.266 60 H2* A 6 H2* A 6 12.478 3.019 7.974 61 2HO* A 6 2HO* A 6 14.392 2.945 6.732 62 H1* A 6 H1* A 6 13.790 0.700 7.109 63 H8 A 6 H8 A 6 10.949 0.053 9.616 64 1H6 A 6 1H6 A 6 7.231 -0.232 4.635 65 2H6 A 6 2H6 A 6 7.327 -0.489 6.369 66 H2 A 6 H2 A 6 11.261 1.171 3.331 67 1H5* C 7 1H5* C 7 14.784 5.350 8.037 68 2H5* C 7 2H5* C 7 14.070 6.958 8.336 69 H4* C 7 H4* C 7 13.976 6.067 5.935 70 H3* C 7 H3* C 7 11.449 6.912 7.356 71 H2* C 7 H2* C 7 10.214 6.493 5.352 72 2HO* C 7 2HO* C 7 11.357 6.011 3.399 73 H1* C 7 H1* C 7 11.602 4.158 4.734 74 1H4 C 7 1H4 C 7 6.399 2.085 7.718 75 2H4 C 7 2H4 C 7 6.992 2.647 9.267 76 H5 C 7 H5 C 7 9.107 3.896 9.511 77 H6 C 7 H6 C 7 10.990 4.814 8.292 78 1H5* A 8 1H5* A 8 11.288 8.929 3.704 79 2H5* A 8 2H5* A 8 10.795 10.631 3.913 80 H4* A 8 H4* A 8 9.391 9.291 2.296 81 H3* A 8 H3* A 8 8.124 10.610 4.697 82 H2* A 8 H2* A 8 5.974 9.762 4.071 83 2HO* A 8 2HO* A 8 5.838 8.516 2.070 84 H1* A 8 H1* A 8 6.802 7.272 3.551 85 H8 A 8 H8 A 8 9.136 7.758 6.253 86 1H6 A 8 1H6 A 8 4.479 7.548 10.313 87 2H6 A 8 2H6 A 8 6.216 7.484 10.120 88 H2 A 8 H2 A 8 2.762 8.112 6.224 89 1H5* U 9 1H5* U 9 5.280 10.831 2.145 90 2H5* U 9 2H5* U 9 4.938 12.498 1.636 91 H4* U 9 H4* U 9 2.889 11.216 2.208 92 H3* U 9 H3* U 9 3.624 13.682 3.700 93 H2* U 9 H2* U 9 2.099 13.334 5.379 94 2HO* U 9 2HO* U 9 0.190 12.168 5.137 95 H1* U 9 H1* U 9 1.896 10.532 5.343 96 H3 U 9 H3 U 9 3.109 12.051 9.541 97 H5 U 9 H5 U 9 6.654 11.444 7.373 98 H6 U 9 H6 U 9 5.307 11.177 5.382 99 1H5* U 10 1H5* U 10 0.256 16.821 1.408 100 2H5* U 10 2H5* U 10 0.977 15.801 2.672 101 H4* U 10 H4* U 10 -0.758 14.288 0.892 102 H3* U 10 H3* U 10 -1.902 16.862 1.708 103 H2* U 10 H2* U 10 -2.449 16.031 3.866 104 2HO* U 10 2HO* U 10 -4.460 14.900 3.865 105 H1* U 10 H1* U 10 -2.523 13.289 2.586 106 H3 U 10 H3 U 10 -3.988 11.704 6.639 107 H5 U 10 H5 U 10 -0.318 13.593 7.482 108 H6 U 10 H6 U 10 -0.286 14.406 5.176 109 1H5* C 11 1H5* C 11 -6.606 15.294 0.922 110 2H5* C 11 2H5* C 11 -5.179 14.256 1.172 111 H4* C 11 H4* C 11 -7.085 13.900 -1.143 112 H3* C 11 H3* C 11 -7.984 13.397 1.391 113 H2* C 11 H2* C 11 -6.170 11.985 2.010 114 2HO* C 11 2HO* C 11 -7.707 9.976 0.788 115 H1* C 11 H1* C 11 -6.338 10.598 -0.670 116 1H4 C 11 1H4 C 11 -0.772 8.169 1.268 117 2H4 C 11 2H4 C 11 -0.311 9.669 2.038 118 H5 C 11 H5 C 11 -1.762 11.655 2.072 119 H6 C 11 H6 C 11 -3.901 12.532 1.365 120 1H5* C 12 1H5* C 12 -10.471 10.421 0.412 121 2H5* C 12 2H5* C 12 -11.605 10.854 -0.898 122 H4* C 12 H4* C 12 -13.324 10.226 0.365 123 H3* C 12 H3* C 12 -12.895 12.666 1.564 124 H2* C 12 H2* C 12 -11.370 11.837 3.206 125 2HO* C 12 2HO* C 12 -13.187 12.808 4.307 126 H1* C 12 H1* C 12 -13.171 9.432 3.643 127 1H4 C 12 1H4 C 12 -8.120 7.511 7.017 128 2H4 C 12 2H4 C 12 -7.022 7.982 5.742 129 H5 C 12 H5 C 12 -7.776 9.071 3.671 130 H6 C 12 H6 C 12 -9.704 9.898 2.479 131 1H5* U 13 1H5* U 13 -17.241 8.965 1.387 132 2H5* U 13 2H5* U 13 -15.556 9.396 1.768 133 H4* U 13 H4* U 13 -15.651 9.840 -0.919 134 H3* U 13 H3* U 13 -17.954 8.537 -0.894 135 H2* U 13 H2* U 13 -17.164 6.874 0.704 136 2HO* U 13 2HO* U 13 -16.910 5.680 -1.867 137 H1* U 13 H1* U 13 -14.829 6.324 -1.125 138 H3 U 13 H3 U 13 -13.796 3.123 2.041 139 H5 U 13 H5 U 13 -13.768 6.809 4.104 140 H6 U 13 H6 U 13 -14.649 7.836 2.138 141 1H5* C 14 1H5* C 14 -14.003 7.642 -4.239 142 2H5* C 14 2H5* C 14 -13.728 7.374 -2.500 143 H4* C 14 H4* C 14 -12.085 9.236 -4.256 144 H3* C 14 H3* C 14 -11.579 6.396 -3.355 145 H2* C 14 H2* C 14 -9.281 6.864 -2.984 146 2HO* C 14 2HO* C 14 -8.332 8.784 -3.789 147 H1* C 14 H1* C 14 -9.648 9.419 -1.977 148 1H4 C 14 1H4 C 14 -9.084 5.767 3.212 149 2H4 C 14 2H4 C 14 -10.743 5.249 3.048 150 H5 C 14 H5 C 14 -12.151 5.888 1.159 151 H6 C 14 H6 C 14 -12.218 7.121 -0.913 152 1H5* A 15 1H5* A 15 -8.370 6.554 -5.339 153 2H5* A 15 2H5* A 15 -8.310 5.359 -6.661 154 H4* A 15 H4* A 15 -6.392 4.944 -5.333 155 H3* A 15 H3* A 15 -8.597 2.999 -4.653 156 H2* A 15 H2* A 15 -7.207 1.939 -3.015 157 2HO* A 15 2HO* A 15 -4.990 2.572 -2.836 158 H1* A 15 H1* A 15 -6.278 4.278 -1.936 159 H8 A 15 H8 A 15 -9.810 4.536 -3.200 160 1H6 A 15 1H6 A 15 -11.447 2.717 2.569 161 2H6 A 15 2H6 A 15 -12.081 3.315 1.048 162 H2 A 15 H2 A 15 -6.984 2.416 2.042 163 1H5* C 16 1H5* C 16 -5.178 0.587 -5.602 164 2H5* C 16 2H5* C 16 -5.639 -0.899 -6.478 165 H4* C 16 H4* C 16 -4.358 -1.320 -4.381 166 H3* C 16 H3* C 16 -7.215 -2.314 -4.471 167 H2* C 16 H2* C 16 -6.826 -3.378 -2.362 168 2HO* C 16 2HO* C 16 -4.730 -3.499 -1.495 169 H1* C 16 H1* C 16 -5.417 -1.223 -1.325 170 1H4 C 16 1H4 C 16 -11.401 -0.524 0.760 171 2H4 C 16 2H4 C 16 -11.824 0.336 -0.705 172 H5 C 16 H5 C 16 -10.279 0.585 -2.598 173 H6 C 16 H6 C 16 -8.063 0.060 -3.406 174 1H5* G 17 1H5* G 17 -4.543 -5.518 -3.513 175 2H5* G 17 2H5* G 17 -4.938 -6.972 -4.466 176 H4* G 17 H4* G 17 -4.613 -7.529 -2.106 177 H3* G 17 H3* G 17 -7.484 -7.709 -3.044 178 H2* G 17 H2* G 17 -8.053 -8.626 -0.897 179 2HO* G 17 2HO* G 17 -6.407 -9.127 0.602 180 H1* G 17 H1* G 17 -6.608 -6.744 0.484 181 H8 G 17 H8 G 17 -7.975 -4.974 -2.543 182 H1 G 17 H1 G 17 -12.359 -5.807 2.041 183 1H2 G 17 1H2 G 17 -11.606 -7.205 3.584 184 2H2 G 17 2H2 G 17 -10.014 -7.926 3.486 185 1H5* G 18 1H5* G 18 -6.710 -11.430 -1.386 186 2H5* G 18 2H5* G 18 -7.415 -12.760 -2.343 187 H4* G 18 H4* G 18 -8.156 -12.756 0.030 188 H3* G 18 H3* G 18 -10.305 -12.175 -2.023 189 H2* G 18 H2* G 18 -11.901 -12.282 -0.243 190 2HO* G 18 2HO* G 18 -11.293 -13.040 1.812 191 H1* G 18 H1* G 18 -10.261 -10.891 1.540 192 H8 G 18 H8 G 18 -10.056 -9.270 -1.877 193 H1 G 18 H1 G 18 -15.310 -7.638 1.400 194 1H2 G 18 1H2 G 18 -15.520 -8.916 3.194 195 2H2 G 18 2H2 G 18 -14.367 -10.173 3.581 196 1H5* G 19 1H5* G 19 -11.509 -15.518 0.299 197 2H5* G 19 2H5* G 19 -12.337 -16.757 -0.683 198 H4* G 19 H4* G 19 -13.582 -15.935 1.379 199 H3* G 19 H3* G 19 -14.871 -15.662 -1.344 200 H2* G 19 H2* G 19 -16.864 -14.899 -0.237 201 2HO* G 19 2HO* G 19 -16.993 -14.946 2.044 202 H1* G 19 H1* G 19 -15.502 -13.209 1.452 203 H8 G 19 H8 G 19 -14.343 -13.758 -2.233 204 H1 G 19 H1 G 19 -17.946 -8.566 -1.231 205 1H2 G 19 1H2 G 19 -18.626 -8.499 0.865 206 2H2 G 19 2H2 G 19 -18.194 -9.733 2.028 207 1H5* U 20 1H5* U 20 -16.467 -15.953 -3.634 208 2H5* U 20 2H5* U 20 -17.161 -15.684 -2.014 209 H4* U 20 H4* U 20 -18.334 -17.220 -4.339 210 H3* U 20 H3* U 20 -19.294 -14.921 -2.618 211 H2* U 20 H2* U 20 -21.544 -15.602 -2.970 212 2HO* U 20 2HO* U 20 -21.294 -16.041 -5.260 213 H1* U 20 H1* U 20 -20.996 -18.335 -2.830 214 H3 U 20 H3 U 20 -23.160 -18.103 1.086 215 H5 U 20 H5 U 20 -20.002 -15.369 1.597 216 H6 U 20 H6 U 20 -19.353 -15.789 -0.698 217 1H5* G 21 1H5* G 21 -20.789 -11.309 -3.479 218 2H5* G 21 2H5* G 21 -19.798 -12.323 -2.393 219 H4* G 21 H4* G 21 -22.819 -12.132 -2.262 220 H3* G 21 H3* G 21 -20.725 -10.664 -0.647 221 H2* G 21 H2* G 21 -22.218 -10.762 1.218 222 2HO* G 21 2HO* G 21 -24.105 -11.818 -0.657 223 H1* G 21 H1* G 21 -22.871 -13.379 0.826 224 H8 G 21 H8 G 21 -19.212 -12.591 -0.013 225 H1 G 21 H1 G 21 -20.259 -14.085 6.111 226 1H2 G 21 1H2 G 21 -22.429 -14.249 6.501 227 2H2 G 21 2H2 G 21 -23.623 -13.981 5.252 228 1H5* A 22 1H5* A 22 -24.423 -8.049 -0.315 229 2H5* A 22 2H5* A 22 -23.942 -6.538 0.505 230 H4* A 22 H4* A 22 -25.488 -8.248 1.744 231 H3* A 22 H3* A 22 -23.026 -7.038 3.016 232 H2* A 22 H2* A 22 -23.635 -8.154 5.062 233 2HO* A 22 2HO* A 22 -25.618 -9.200 5.264 234 H1* A 22 H1* A 22 -24.157 -10.526 3.788 235 H8 A 22 H8 A 22 -21.296 -9.165 1.852 236 1H6 A 22 1H6 A 22 -17.558 -11.099 6.368 237 2H6 A 22 2H6 A 22 -17.636 -10.481 4.734 238 H2 A 22 H2 A 22 -21.774 -11.362 7.829 239 1H5* C 23 1H5* C 23 -22.358 -4.333 5.384 240 2H5* C 23 2H5* C 23 -22.346 -5.408 3.970 241 H4* C 23 H4* C 23 -21.735 -6.695 6.552 242 H3* C 23 H3* C 23 -19.876 -4.637 5.350 243 H2* C 23 H2* C 23 -18.023 -6.038 5.924 244 2HO* C 23 2HO* C 23 -18.360 -7.936 7.149 245 H1* C 23 H1* C 23 -19.179 -8.306 4.959 246 1H4 C 23 1H4 C 23 -16.091 -5.779 -0.017 247 2H4 C 23 2H4 C 23 -17.496 -4.815 -0.419 248 H5 C 23 H5 C 23 -19.500 -4.727 1.000 249 H6 C 23 H6 C 23 -20.517 -5.558 3.039 250 1H5* C 24 1H5* C 24 -18.291 -5.894 9.118 251 2H5* C 24 2H5* C 24 -17.352 -4.591 9.893 252 H4* C 24 H4* C 24 -16.078 -6.730 9.444 253 H3* C 24 H3* C 24 -15.102 -4.207 8.083 254 H2* C 24 H2* C 24 -13.175 -5.474 7.411 255 2HO* C 24 2HO* C 24 -12.863 -7.594 8.209 256 H1* C 24 H1* C 24 -14.688 -7.693 6.712 257 1H4 C 24 1H4 C 24 -13.844 -4.369 1.318 258 2H4 C 24 2H4 C 24 -15.188 -3.329 1.731 259 H5 C 24 H5 C 24 -16.380 -3.471 3.866 260 H6 C 24 H6 C 24 -16.493 -4.630 5.982 261 1H5* G 25 1H5* G 25 -11.952 -5.876 10.236 262 2H5* G 25 2H5* G 25 -10.825 -4.672 10.910 263 H4* G 25 H4* G 25 -9.749 -6.378 9.421 264 H3* G 25 H3* G 25 -9.649 -3.489 8.527 265 H2* G 25 H2* G 25 -8.220 -4.185 6.730 266 2HO* G 25 2HO* G 25 -7.517 -6.367 6.617 267 H1* G 25 H1* G 25 -9.796 -6.314 6.055 268 H8 G 25 H8 G 25 -12.313 -3.786 7.133 269 H1 G 25 H1 G 25 -9.657 -2.269 1.509 270 1H2 G 25 1H2 G 25 -7.869 -3.520 1.153 271 2H2 G 25 2H2 G 25 -7.337 -4.736 2.293 272 1H5* U 26 1H5* U 26 -5.929 -4.536 7.948 273 2H5* U 26 2H5* U 26 -4.752 -3.336 8.543 274 H4* U 26 H4* U 26 -4.630 -3.857 6.067 275 H3* U 26 H3* U 26 -5.207 -1.014 6.930 276 H2* U 26 H2* U 26 -5.069 -0.363 4.645 277 2HO* U 26 2HO* U 26 -4.242 -1.795 3.071 278 H1* U 26 H1* U 26 -6.327 -2.685 3.691 279 H3 U 26 H3 U 26 -8.783 1.131 2.776 280 H5 U 26 H5 U 26 -10.142 -0.304 6.488 281 H6 U 26 H6 U 26 -8.264 -1.836 6.507 282 1H5* G 27 1H5* G 27 -1.868 -1.391 4.259 283 2H5* G 27 2H5* G 27 -0.536 -0.274 4.647 284 H4* G 27 H4* G 27 -1.571 -0.390 2.209 285 H3* G 27 H3* G 27 0.017 1.506 3.396 286 H2* G 27 H2* G 27 -1.809 2.760 4.286 287 2HO* G 27 2HO* G 27 -0.597 4.228 3.040 288 H1* G 27 H1* G 27 -3.212 2.424 1.620 289 H8 G 27 H8 G 27 -4.288 1.699 5.255 290 H1 G 27 H1 G 27 -7.553 6.382 2.369 291 1H2 G 27 1H2 G 27 -6.691 6.817 0.379 292 2H2 G 27 2H2 G 27 -5.302 5.949 -0.236 293 1H5* G 28 1H5* G 28 -0.293 5.163 -0.288 294 2H5* G 28 2H5* G 28 0.776 3.998 -1.107 295 H4* G 28 H4* G 28 1.584 6.411 -0.999 296 H3* G 28 H3* G 28 3.244 4.089 -0.078 297 H2* G 28 H2* G 28 4.931 5.462 0.844 298 2HO* G 28 2HO* G 28 3.630 7.581 -0.561 299 H1* G 28 H1* G 28 3.349 7.292 2.004 300 H8 G 28 H8 G 28 1.111 4.701 2.876 301 H1 G 28 H1 G 28 6.775 3.546 5.558 302 1H2 G 28 1H2 G 28 8.325 4.779 4.593 303 2H2 G 28 2H2 G 28 7.961 5.887 3.295 304 1H5* U 29 1H5* U 29 6.141 6.394 -1.946 305 2H5* U 29 2H5* U 29 7.115 5.428 -3.088 306 H4* U 29 H4* U 29 8.424 6.630 -1.276 307 H3* U 29 H3* U 29 8.594 3.613 -1.503 308 H2* U 29 H2* U 29 10.246 3.625 0.258 309 2HO* U 29 2HO* U 29 11.010 5.575 1.100 310 H1* U 29 H1* U 29 8.693 5.100 1.910 311 H3 U 29 H3 U 29 8.538 0.469 2.504 312 H5 U 29 H5 U 29 4.892 1.783 0.879 313 H6 U 29 H6 U 29 5.935 3.905 0.420 314 1H5* C 30 1H5* C 30 13.083 4.260 -2.233 315 2H5* C 30 2H5* C 30 13.352 2.953 -3.419 316 H4* C 30 H4* C 30 14.657 2.887 -1.179 317 H3* C 30 H3* C 30 13.041 0.480 -2.068 318 H2* C 30 H2* C 30 14.079 -0.695 -0.257 319 2HO* C 30 2HO* C 30 15.749 0.344 0.956 320 H1* C 30 H1* C 30 13.803 1.463 1.480 321 1H4 C 30 1H4 C 30 8.935 -2.445 2.718 322 2H4 C 30 2H4 C 30 7.995 -1.721 1.429 323 H5 C 30 H5 C 30 8.919 -0.037 -0.114 324 H6 C 30 H6 C 30 10.909 1.237 -0.663 325 1H5* C 31 1H5* C 31 17.287 -0.691 -1.380 326 2H5* C 31 2H5* C 31 17.591 -2.165 -2.339 327 H4* C 31 H4* C 31 18.029 -2.369 0.148 328 H3* C 31 H3* C 31 15.888 -4.178 -1.003 329 H2* C 31 H2* C 31 15.974 -5.326 1.115 330 2HO* C 31 2HO* C 31 18.150 -3.580 1.760 331 H1* C 31 H1* C 31 16.019 -2.933 2.539 332 1H4 C 31 1H4 C 31 9.900 -4.698 2.344 333 2H4 C 31 2H4 C 31 9.738 -4.064 0.722 334 H5 C 31 H5 C 31 11.636 -3.157 -0.554 335 H6 C 31 H6 C 31 14.012 -2.715 -0.485 336 1H5* U 32 1H5* U 32 18.571 -6.635 0.902 337 2H5* U 32 2H5* U 32 18.929 -8.085 -0.067 338 H4* U 32 H4* U 32 18.259 -8.707 2.192 339 H3* U 32 H3* U 32 16.118 -9.329 0.152 340 H2* U 32 H2* U 32 14.979 -10.491 1.907 341 2HO* U 32 2HO* U 32 16.000 -10.779 3.940 342 H1* U 32 H1* U 32 15.468 -8.506 3.761 343 H3 U 32 H3 U 32 11.019 -8.421 2.749 344 H5 U 32 H5 U 32 12.889 -6.270 -0.351 345 H6 U 32 H6 U 32 15.038 -6.993 0.538 346 1H5* C 33 1H5* C 33 16.865 -12.798 2.372 347 2H5* C 33 2H5* C 33 16.916 -14.237 1.321 348 H4* C 33 H4* C 33 15.366 -14.548 3.208 349 H3* C 33 H3* C 33 13.992 -14.269 0.521 350 H2* C 33 H2* C 33 11.962 -14.858 1.633 351 2HO* C 33 2HO* C 33 11.984 -15.536 3.807 352 H1* C 33 H1* C 33 12.450 -13.219 3.793 353 1H4 C 33 1H4 C 33 8.905 -9.838 -0.312 354 2H4 C 33 2H4 C 33 10.354 -9.292 -1.128 355 H5 C 33 H5 C 33 12.601 -10.129 -0.567 356 H6 C 33 H6 C 33 13.828 -11.634 0.869 357 1H5* C 34 1H5* C 34 12.508 -17.740 2.558 358 2H5* C 34 2H5* C 34 12.316 -19.047 1.368 359 H4* C 34 H4* C 34 10.283 -18.540 2.788 360 H3* C 34 H3* C 34 10.067 -18.304 -0.222 361 H2* C 34 H2* C 34 7.727 -17.933 0.042 362 2HO* C 34 2HO* C 34 6.766 -18.182 2.142 363 H1* C 34 H1* C 34 8.030 -16.291 2.276 364 1H4 C 34 1H4 C 34 7.412 -12.497 -2.844 365 2H4 C 34 2H4 C 34 9.157 -12.402 -2.963 366 H5 C 34 H5 C 34 10.671 -13.753 -1.562 367 H6 C 34 H6 C 34 10.761 -15.418 0.187 Start of MODEL 16 1 1H5* G 1 1H5* G 1 1.347 -12.312 1.492 2 2H5* G 1 2H5* G 1 2.750 -12.183 0.432 3 H4* G 1 H4* G 1 2.097 -14.567 2.179 4 H3* G 1 H3* G 1 4.105 -12.331 2.545 5 H2* G 1 H2* G 1 5.529 -13.897 3.653 6 2HO* G 1 2HO* G 1 4.800 -15.934 4.237 7 H1* G 1 H1* G 1 5.149 -15.866 1.798 8 H8 G 1 H8 G 1 5.179 -12.647 -0.130 9 H1 G 1 H1 G 1 11.029 -14.448 1.716 10 1H2 G 1 1H2 G 1 10.895 -16.089 3.190 11 2H2 G 1 2H2 G 1 9.361 -16.753 3.710 12 1H5* G 2 1H5* G 2 3.865 -14.201 6.409 13 2H5* G 2 2H5* G 2 4.078 -12.951 7.665 14 H4* G 2 H4* G 2 5.755 -14.882 7.659 15 H3* G 2 H3* G 2 6.765 -12.036 7.429 16 H2* G 2 H2* G 2 8.980 -12.908 7.618 17 2HO* G 2 2HO* G 2 9.302 -15.120 8.158 18 H1* G 2 H1* G 2 8.454 -15.112 5.990 19 H8 G 2 H8 G 2 6.835 -12.430 4.065 20 H1 G 2 H1 G 2 13.195 -11.756 4.005 21 1H2 G 2 1H2 G 2 14.118 -13.038 5.552 22 2H2 G 2 2H2 G 2 13.166 -14.063 6.602 23 1H5* A 3 1H5* A 3 8.882 -13.623 11.045 24 2H5* A 3 2H5* A 3 8.579 -12.352 12.260 25 H4* A 3 H4* A 3 10.941 -12.897 12.247 26 H3* A 3 H3* A 3 10.379 -10.254 10.880 27 H2* A 3 H2* A 3 12.768 -9.926 10.775 28 2HO* A 3 2HO* A 3 14.148 -11.509 11.727 29 H1* A 3 H1* A 3 13.213 -12.445 9.801 30 H8 A 3 H8 A 3 9.890 -11.422 8.372 31 1H6 A 3 1H6 A 3 13.022 -8.166 4.148 32 2H6 A 3 2H6 A 3 11.453 -8.787 4.611 33 H2 A 3 H2 A 3 15.889 -9.504 7.331 34 1H5* G 4 1H5* G 4 13.188 -9.263 13.807 35 2H5* G 4 2H5* G 4 12.764 -7.745 14.638 36 H4* G 4 H4* G 4 15.051 -7.673 13.738 37 H3* G 4 H3* G 4 13.104 -5.874 12.274 38 H2* G 4 H2* G 4 14.993 -4.995 11.073 39 2HO* G 4 2HO* G 4 16.533 -5.031 12.802 40 H1* G 4 H1* G 4 15.997 -7.483 10.533 41 H8 G 4 H8 G 4 12.283 -7.944 10.512 42 H1 G 4 H1 G 4 14.431 -4.963 5.287 43 1H2 G 4 1H2 G 4 16.533 -4.344 5.570 44 2H2 G 4 2H2 G 4 17.410 -4.679 7.044 45 1H5* G 5 1H5* G 5 16.135 -2.828 13.378 46 2H5* G 5 2H5* G 5 15.126 -1.489 13.986 47 H4* G 5 H4* G 5 16.710 -0.841 12.149 48 H3* G 5 H3* G 5 13.748 -0.578 11.565 49 H2* G 5 H2* G 5 14.352 0.507 9.508 50 2HO* G 5 2HO* G 5 16.571 0.948 9.077 51 H1* G 5 H1* G 5 16.270 -1.360 8.892 52 H8 G 5 H8 G 5 13.590 -3.370 10.559 53 H1 G 5 H1 G 5 11.932 -1.536 4.659 54 1H2 G 5 1H2 G 5 13.348 -0.013 3.899 55 2H2 G 5 2H2 G 5 14.696 0.559 4.855 56 1H5* A 6 1H5* A 6 15.701 3.417 10.861 57 2H5* A 6 2H5* A 6 14.437 4.651 11.117 58 H4* A 6 H4* A 6 15.664 4.503 8.806 59 H3* A 6 H3* A 6 12.647 4.650 9.033 60 H2* A 6 H2* A 6 12.580 4.822 6.651 61 2HO* A 6 2HO* A 6 14.499 5.129 5.457 62 H1* A 6 H1* A 6 14.566 2.927 6.266 63 H8 A 6 H8 A 6 12.352 1.531 8.948 64 1H6 A 6 1H6 A 6 8.406 -0.114 4.488 65 2H6 A 6 2H6 A 6 8.819 -0.286 6.177 66 H2 A 6 H2 A 6 11.490 2.633 2.708 67 1H5* C 7 1H5* C 7 13.942 7.545 6.202 68 2H5* C 7 2H5* C 7 12.866 8.966 6.232 69 H4* C 7 H4* C 7 13.072 7.736 4.007 70 H3* C 7 H3* C 7 10.344 8.042 5.263 71 H2* C 7 H2* C 7 9.414 7.145 3.241 72 2HO* C 7 2HO* C 7 10.726 6.838 1.412 73 H1* C 7 H1* C 7 11.368 5.188 3.021 74 1H4 C 7 1H4 C 7 6.366 2.499 5.962 75 2H4 C 7 2H4 C 7 7.069 2.912 7.511 76 H5 C 7 H5 C 7 9.087 4.301 7.734 77 H6 C 7 H6 C 7 10.769 5.527 6.502 78 1H5* A 8 1H5* A 8 8.309 11.101 1.153 79 2H5* A 8 2H5* A 8 7.312 10.557 2.529 80 H4* A 8 H4* A 8 7.626 9.404 -0.179 81 H3* A 8 H3* A 8 5.483 9.422 1.949 82 H2* A 8 H2* A 8 4.504 7.442 1.003 83 2HO* A 8 2HO* A 8 5.386 6.544 -0.915 84 H1* A 8 H1* A 8 6.787 6.076 0.893 85 H8 A 8 H8 A 8 7.797 8.105 3.742 86 1H6 A 8 1H6 A 8 3.805 5.000 7.318 87 2H6 A 8 2H6 A 8 5.171 6.091 7.310 88 H2 A 8 H2 A 8 2.844 4.130 3.026 89 1H5* U 9 1H5* U 9 3.658 8.278 -0.820 90 2H5* U 9 2H5* U 9 2.465 9.301 -1.649 91 H4* U 9 H4* U 9 1.577 7.088 -1.431 92 H3* U 9 H3* U 9 0.292 9.270 0.037 93 H2* U 9 H2* U 9 -0.520 8.046 1.793 94 2HO* U 9 2HO* U 9 -1.526 6.013 1.477 95 H1* U 9 H1* U 9 0.752 5.528 1.433 96 H3 U 9 H3 U 9 0.691 6.401 5.925 97 H5 U 9 H5 U 9 3.700 8.880 4.343 98 H6 U 9 H6 U 9 2.984 8.234 2.136 99 1H5* U 10 1H5* U 10 -1.865 9.208 0.129 100 2H5* U 10 2H5* U 10 -3.539 9.705 -0.201 101 H4* U 10 H4* U 10 -2.706 12.057 -0.423 102 H3* U 10 H3* U 10 -0.140 11.032 -0.426 103 H2* U 10 H2* U 10 -0.015 10.554 1.837 104 2HO* U 10 2HO* U 10 0.461 13.341 1.910 105 H1* U 10 H1* U 10 -1.707 12.954 2.495 106 H3 U 10 H3 U 10 -2.985 11.567 6.716 107 H5 U 10 H5 U 10 -0.491 8.484 5.272 108 H6 U 10 H6 U 10 -0.462 9.619 3.144 109 1H5* C 11 1H5* C 11 -3.645 15.480 1.630 110 2H5* C 11 2H5* C 11 -3.217 14.111 2.683 111 H4* C 11 H4* C 11 -5.668 14.607 1.092 112 H3* C 11 H3* C 11 -5.040 13.639 3.798 113 H2* C 11 H2* C 11 -5.528 11.422 3.296 114 2HO* C 11 2HO* C 11 -7.570 12.184 4.206 115 H1* C 11 H1* C 11 -7.084 12.283 0.851 116 1H4 C 11 1H4 C 11 -5.957 6.387 -1.299 117 2H4 C 11 2H4 C 11 -5.012 6.001 0.120 118 H5 C 11 H5 C 11 -4.516 7.645 1.872 119 H6 C 11 H6 C 11 -4.817 9.936 2.556 120 1H5* C 12 1H5* C 12 -9.343 13.173 3.443 121 2H5* C 12 2H5* C 12 -9.977 14.716 4.092 122 H4* C 12 H4* C 12 -11.534 13.000 4.591 123 H3* C 12 H3* C 12 -10.518 14.497 6.711 124 H2* C 12 H2* C 12 -9.041 12.758 7.445 125 2HO* C 12 2HO* C 12 -10.303 11.489 9.088 126 H1* C 12 H1* C 12 -11.254 10.763 6.817 127 1H4 C 12 1H4 C 12 -6.534 6.776 8.494 128 2H4 C 12 2H4 C 12 -5.665 7.215 7.042 129 H5 C 12 H5 C 12 -6.420 8.997 5.526 130 H6 C 12 H6 C 12 -8.129 10.649 5.152 131 1H5* U 13 1H5* U 13 -15.721 12.145 5.422 132 2H5* U 13 2H5* U 13 -14.382 11.810 6.551 133 H4* U 13 H4* U 13 -13.357 13.171 4.251 134 H3* U 13 H3* U 13 -15.469 11.715 3.253 135 H2* U 13 H2* U 13 -14.719 9.679 4.295 136 2HO* U 13 2HO* U 13 -14.889 9.461 1.915 137 H1* U 13 H1* U 13 -11.961 10.414 3.294 138 H3 U 13 H3 U 13 -9.704 7.077 5.470 139 H5 U 13 H5 U 13 -13.589 7.002 7.113 140 H6 U 13 H6 U 13 -14.111 8.907 5.834 141 1H5* C 14 1H5* C 14 -13.701 9.741 -1.518 142 2H5* C 14 2H5* C 14 -13.498 9.220 0.174 143 H4* C 14 H4* C 14 -11.219 10.135 -1.606 144 H3* C 14 H3* C 14 -12.181 7.330 -0.981 145 H2* C 14 H2* C 14 -9.896 6.597 -1.092 146 2HO* C 14 2HO* C 14 -9.221 9.274 -1.844 147 H1* C 14 H1* C 14 -8.953 8.693 0.413 148 1H4 C 14 1H4 C 14 -10.326 3.994 4.530 149 2H4 C 14 2H4 C 14 -11.912 4.694 4.775 150 H5 C 14 H5 C 14 -12.762 6.594 3.462 151 H6 C 14 H6 C 14 -12.212 8.131 1.686 152 1H5* A 15 1H5* A 15 -9.344 6.738 -3.726 153 2H5* A 15 2H5* A 15 -9.880 5.690 -5.060 154 H4* A 15 H4* A 15 -7.780 4.905 -4.001 155 H3* A 15 H3* A 15 -10.193 3.112 -3.654 156 H2* A 15 H2* A 15 -8.762 1.493 -2.588 157 2HO* A 15 2HO* A 15 -6.641 3.263 -3.388 158 H1* A 15 H1* A 15 -7.523 3.363 -1.007 159 H8 A 15 H8 A 15 -11.168 4.095 -1.774 160 1H6 A 15 1H6 A 15 -12.339 0.881 3.467 161 2H6 A 15 2H6 A 15 -13.075 1.853 2.210 162 H2 A 15 H2 A 15 -7.933 0.672 2.484 163 1H5* C 16 1H5* C 16 -7.369 0.591 -5.617 164 2H5* C 16 2H5* C 16 -8.175 -0.435 -6.837 165 H4* C 16 H4* C 16 -6.885 -1.708 -5.112 166 H3* C 16 H3* C 16 -9.884 -2.135 -5.172 167 H2* C 16 H2* C 16 -9.565 -3.884 -3.568 168 2HO* C 16 2HO* C 16 -7.420 -4.514 -2.988 169 H1* C 16 H1* C 16 -7.747 -2.414 -2.079 170 1H4 C 16 1H4 C 16 -13.481 -1.605 0.631 171 2H4 C 16 2H4 C 16 -13.687 -0.126 -0.285 172 H5 C 16 H5 C 16 -12.115 0.590 -2.029 173 H6 C 16 H6 C 16 -10.068 0.023 -3.185 174 1H5* G 17 1H5* G 17 -8.046 -5.981 -5.865 175 2H5* G 17 2H5* G 17 -8.938 -6.897 -7.106 176 H4* G 17 H4* G 17 -8.617 -8.262 -5.115 177 H3* G 17 H3* G 17 -11.473 -7.323 -5.475 178 H2* G 17 H2* G 17 -12.082 -8.701 -3.600 179 2HO* G 17 2HO* G 17 -10.462 -10.033 -2.621 180 H1* G 17 H1* G 17 -9.989 -7.830 -2.061 181 H8 G 17 H8 G 17 -11.095 -4.948 -4.260 182 H1 G 17 H1 G 17 -14.804 -5.801 0.878 183 1H2 G 17 1H2 G 17 -14.313 -7.720 1.868 184 2H2 G 17 2H2 G 17 -13.061 -8.782 1.265 185 1H5* G 18 1H5* G 18 -11.765 -11.619 -5.317 186 2H5* G 18 2H5* G 18 -13.003 -12.192 -6.468 187 H4* G 18 H4* G 18 -13.377 -12.947 -4.113 188 H3* G 18 H3* G 18 -15.458 -11.105 -5.314 189 H2* G 18 H2* G 18 -16.782 -11.434 -3.346 190 2HO* G 18 2HO* G 18 -16.371 -13.699 -3.078 191 H1* G 18 H1* G 18 -14.609 -11.222 -1.629 192 H8 G 18 H8 G 18 -14.114 -8.655 -4.343 193 H1 G 18 H1 G 18 -18.456 -6.872 0.004 194 1H2 G 18 1H2 G 18 -18.977 -8.574 1.315 195 2H2 G 18 2H2 G 18 -18.259 -10.157 1.115 196 1H5* G 19 1H5* G 19 -19.372 -15.454 -6.214 197 2H5* G 19 2H5* G 19 -19.424 -13.807 -6.899 198 H4* G 19 H4* G 19 -20.428 -14.822 -4.260 199 H3* G 19 H3* G 19 -21.454 -12.853 -6.319 200 H2* G 19 H2* G 19 -22.866 -11.924 -4.610 201 2HO* G 19 2HO* G 19 -23.436 -13.906 -3.555 202 H1* G 19 H1* G 19 -20.855 -11.891 -2.727 203 H8 G 19 H8 G 19 -20.168 -11.141 -6.495 204 H1 G 19 H1 G 19 -20.814 -5.945 -2.728 205 1H2 G 19 1H2 G 19 -21.308 -6.570 -0.630 206 2H2 G 19 2H2 G 19 -21.479 -8.258 -0.184 207 1H5* U 20 1H5* U 20 -23.116 -12.185 -8.699 208 2H5* U 20 2H5* U 20 -23.145 -12.168 -6.923 209 H4* U 20 H4* U 20 -25.269 -11.453 -8.878 210 H3* U 20 H3* U 20 -24.300 -10.462 -6.214 211 H2* U 20 H2* U 20 -26.437 -9.798 -5.503 212 2HO* U 20 2HO* U 20 -27.022 -8.765 -7.506 213 H1* U 20 H1* U 20 -27.875 -11.878 -6.597 214 H3 U 20 H3 U 20 -27.164 -11.745 -1.855 215 H5 U 20 H5 U 20 -25.193 -15.056 -3.541 216 H6 U 20 H6 U 20 -25.560 -14.040 -5.761 217 1H5* G 21 1H5* G 21 -24.002 -6.459 -4.668 218 2H5* G 21 2H5* G 21 -23.933 -8.204 -4.303 219 H4* G 21 H4* G 21 -26.490 -6.619 -4.079 220 H3* G 21 H3* G 21 -24.309 -6.910 -2.024 221 H2* G 21 H2* G 21 -25.937 -7.225 -0.308 222 2HO* G 21 2HO* G 21 -28.149 -6.923 -0.737 223 H1* G 21 H1* G 21 -27.460 -8.965 -1.687 224 H8 G 21 H8 G 21 -23.898 -9.575 -2.791 225 H1 G 21 H1 G 21 -25.317 -12.321 2.802 226 1H2 G 21 1H2 G 21 -27.284 -11.615 3.527 227 2H2 G 21 2H2 G 21 -28.244 -10.456 2.639 228 1H5* A 22 1H5* A 22 -26.886 -4.287 -0.611 229 2H5* A 22 2H5* A 22 -26.382 -2.837 0.298 230 H4* A 22 H4* A 22 -27.768 -4.173 1.740 231 H3* A 22 H3* A 22 -24.835 -4.454 2.409 232 H2* A 22 H2* A 22 -25.449 -5.812 4.294 233 2HO* A 22 2HO* A 22 -28.134 -5.134 3.556 234 H1* A 22 H1* A 22 -27.118 -7.375 2.849 235 H8 A 22 H8 A 22 -24.404 -6.315 0.456 236 1H6 A 22 1H6 A 22 -20.941 -10.863 2.764 237 2H6 A 22 2H6 A 22 -21.084 -9.668 1.495 238 H2 A 22 H2 A 22 -24.542 -10.401 5.361 239 1H5* C 23 1H5* C 23 -25.150 -3.946 5.305 240 2H5* C 23 2H5* C 23 -23.930 -3.173 6.343 241 H4* C 23 H4* C 23 -23.767 -5.713 5.968 242 H3* C 23 H3* C 23 -21.407 -3.915 5.393 243 H2* C 23 H2* C 23 -20.111 -5.900 5.026 244 2HO* C 23 2HO* C 23 -21.030 -7.958 5.462 245 H1* C 23 H1* C 23 -22.094 -7.141 3.547 246 1H4 C 23 1H4 C 23 -18.322 -4.228 -0.695 247 2H4 C 23 2H4 C 23 -19.270 -2.766 -0.546 248 H5 C 23 H5 C 23 -21.079 -2.516 1.097 249 H6 C 23 H6 C 23 -22.302 -3.620 2.866 250 1H5* C 24 1H5* C 24 -20.241 -6.934 8.114 251 2H5* C 24 2H5* C 24 -19.005 -6.380 9.276 252 H4* C 24 H4* C 24 -18.331 -8.397 7.962 253 H3* C 24 H3* C 24 -16.715 -5.880 7.492 254 H2* C 24 H2* C 24 -15.209 -7.224 6.199 255 2HO* C 24 2HO* C 24 -15.438 -9.493 6.158 256 H1* C 24 H1* C 24 -17.266 -8.600 4.933 257 1H4 C 24 1H4 C 24 -15.683 -3.866 0.950 258 2H4 C 24 2H4 C 24 -16.666 -2.744 1.862 259 H5 C 24 H5 C 24 -17.797 -3.349 3.949 260 H6 C 24 H6 C 24 -18.182 -5.132 5.529 261 1H5* G 25 1H5* G 25 -13.947 -8.778 8.471 262 2H5* G 25 2H5* G 25 -12.868 -8.213 9.772 263 H4* G 25 H4* G 25 -11.528 -9.123 7.983 264 H3* G 25 H3* G 25 -11.476 -6.096 8.012 265 H2* G 25 H2* G 25 -9.835 -6.188 6.274 266 2HO* G 25 2HO* G 25 -9.019 -8.254 5.603 267 H1* G 25 H1* G 25 -11.175 -8.119 4.842 268 H8 G 25 H8 G 25 -13.824 -5.877 6.311 269 H1 G 25 H1 G 25 -10.873 -3.267 1.261 270 1H2 G 25 1H2 G 25 -9.076 -4.450 0.740 271 2H2 G 25 2H2 G 25 -8.608 -5.881 1.630 272 1H5* U 26 1H5* U 26 -7.503 -7.128 7.879 273 2H5* U 26 2H5* U 26 -6.488 -6.007 8.825 274 H4* U 26 H4* U 26 -5.996 -6.154 6.328 275 H3* U 26 H3* U 26 -6.724 -3.476 7.537 276 H2* U 26 H2* U 26 -6.244 -2.480 5.417 277 2HO* U 26 2HO* U 26 -5.185 -3.659 3.791 278 H1* U 26 H1* U 26 -7.387 -4.575 3.954 279 H3 U 26 H3 U 26 -9.831 -0.735 3.298 280 H5 U 26 H5 U 26 -11.381 -2.490 6.800 281 H6 U 26 H6 U 26 -9.524 -4.044 6.765 282 1H5* G 27 1H5* G 27 -2.960 -3.763 5.477 283 2H5* G 27 2H5* G 27 -1.685 -2.650 6.030 284 H4* G 27 H4* G 27 -2.499 -2.786 3.484 285 H3* G 27 H3* G 27 -0.860 -0.989 4.785 286 H2* G 27 H2* G 27 -2.616 0.462 5.452 287 2HO* G 27 2HO* G 27 -1.179 1.723 4.181 288 H1* G 27 H1* G 27 -3.895 0.148 2.722 289 H8 G 27 H8 G 27 -5.178 -0.472 6.301 290 H1 G 27 H1 G 27 -8.040 4.364 3.245 291 1H2 G 27 1H2 G 27 -7.058 4.732 1.299 292 2H2 G 27 2H2 G 27 -5.699 3.775 0.747 293 1H5* G 28 1H5* G 28 -1.204 -0.543 -0.237 294 2H5* G 28 2H5* G 28 -0.637 -2.042 -1.009 295 H4* G 28 H4* G 28 0.339 -0.288 -2.242 296 H3* G 28 H3* G 28 2.301 -1.400 -0.237 297 H2* G 28 H2* G 28 3.951 0.142 -0.999 298 2HO* G 28 2HO* G 28 3.457 0.084 -3.252 299 H1* G 28 H1* G 28 2.328 2.284 -0.960 300 H8 G 28 H8 G 28 1.002 0.193 1.861 301 H1 G 28 H1 G 28 6.497 3.119 3.329 302 1H2 G 28 1H2 G 28 7.414 3.991 1.517 303 2H2 G 28 2H2 G 28 6.674 3.844 -0.063 304 1H5* U 29 1H5* U 29 4.455 -1.848 -4.237 305 2H5* U 29 2H5* U 29 5.646 -3.155 -3.982 306 H4* U 29 H4* U 29 6.488 -0.772 -4.607 307 H3* U 29 H3* U 29 7.609 -2.277 -2.230 308 H2* U 29 H2* U 29 9.191 -0.513 -2.001 309 2HO* U 29 2HO* U 29 9.384 1.090 -3.631 310 H1* U 29 H1* U 29 7.342 1.481 -2.624 311 H3 U 29 H3 U 29 8.893 1.654 1.820 312 H5 U 29 H5 U 29 5.459 -0.794 1.804 313 H6 U 29 H6 U 29 5.526 -0.761 -0.600 314 1H5* C 30 1H5* C 30 10.933 -0.956 -4.485 315 2H5* C 30 2H5* C 30 12.306 -2.076 -4.281 316 H4* C 30 H4* C 30 12.546 0.385 -3.455 317 H3* C 30 H3* C 30 13.252 -2.008 -1.752 318 H2* C 30 H2* C 30 13.966 -0.540 -0.019 319 2HO* C 30 2HO* C 30 13.704 1.541 -1.967 320 H1* C 30 H1* C 30 11.895 1.277 -0.367 321 1H4 C 30 1H4 C 30 10.312 -2.741 4.408 322 2H4 C 30 2H4 C 30 9.202 -3.513 3.301 323 H5 C 30 H5 C 30 9.104 -2.976 0.917 324 H6 C 30 H6 C 30 10.061 -1.614 -0.826 325 1H5* C 31 1H5* C 31 16.554 0.314 -1.014 326 2H5* C 31 2H5* C 31 17.982 -0.574 -1.611 327 H4* C 31 H4* C 31 18.495 0.105 0.613 328 H3* C 31 H3* C 31 17.606 -2.787 0.576 329 H2* C 31 H2* C 31 18.098 -2.913 2.916 330 2HO* C 31 2HO* C 31 19.164 -0.271 2.594 331 H1* C 31 H1* C 31 16.869 -0.537 3.503 332 1H4 C 31 1H4 C 31 12.333 -4.984 4.091 333 2H4 C 31 2H4 C 31 11.923 -4.799 2.400 334 H5 C 31 H5 C 31 13.215 -3.389 0.865 335 H6 C 31 H6 C 31 15.117 -1.910 0.698 336 1H5* U 32 1H5* U 32 20.611 -3.513 3.046 337 2H5* U 32 2H5* U 32 21.826 -4.395 2.085 338 H4* U 32 H4* U 32 21.606 -5.676 4.030 339 H3* U 32 H3* U 32 19.730 -6.851 1.971 340 H2* U 32 H2* U 32 19.280 -8.603 3.516 341 2HO* U 32 2HO* U 32 21.279 -7.396 5.170 342 H1* U 32 H1* U 32 18.918 -6.957 5.610 343 H3 U 32 H3 U 32 14.886 -8.470 4.312 344 H5 U 32 H5 U 32 15.581 -5.140 1.868 345 H6 U 32 H6 U 32 17.884 -5.076 2.721 346 1H5* C 33 1H5* C 33 22.038 -10.009 3.713 347 2H5* C 33 2H5* C 33 22.231 -11.349 2.556 348 H4* C 33 H4* C 33 21.104 -11.945 4.747 349 H3* C 33 H3* C 33 19.511 -12.356 2.203 350 H2* C 33 H2* C 33 17.896 -13.480 3.558 351 2HO* C 33 2HO* C 33 19.783 -13.184 5.688 352 H1* C 33 H1* C 33 17.982 -11.582 5.554 353 1H4 C 33 1H4 C 33 13.170 -9.939 1.688 354 2H4 C 33 2H4 C 33 14.275 -9.040 0.670 355 H5 C 33 H5 C 33 16.716 -9.043 1.016 356 H6 C 33 H6 C 33 18.498 -9.925 2.392 357 1H5* C 34 1H5* C 34 19.485 -15.947 4.611 358 2H5* C 34 2H5* C 34 19.501 -17.357 3.527 359 H4* C 34 H4* C 34 17.625 -17.301 5.222 360 H3* C 34 H3* C 34 16.906 -17.355 2.280 361 H2* C 34 H2* C 34 14.622 -17.626 2.928 362 2HO* C 34 2HO* C 34 14.113 -17.966 5.167 363 H1* C 34 H1* C 34 14.793 -15.789 5.023 364 1H4 C 34 1H4 C 34 12.367 -12.661 0.001 365 2H4 C 34 2H4 C 34 13.983 -12.226 -0.511 366 H5 C 34 H5 C 34 16.011 -13.097 0.580 367 H6 C 34 H6 C 34 16.826 -14.524 2.350 Start of MODEL 17 1 1H5* G 1 1H5* G 1 -2.115 -9.883 2.385 2 2H5* G 1 2H5* G 1 -0.867 -10.076 1.153 3 H4* G 1 H4* G 1 -1.894 -12.277 2.959 4 H3* G 1 H3* G 1 0.650 -10.641 3.077 5 H2* G 1 H2* G 1 1.755 -12.561 3.974 6 2HO* G 1 2HO* G 1 0.610 -14.373 4.627 7 H1* G 1 H1* G 1 0.664 -14.292 2.169 8 H8 G 1 H8 G 1 1.240 -11.113 0.267 9 H1 G 1 H1 G 1 6.658 -14.337 1.327 10 1H2 G 1 1H2 G 1 6.316 -15.946 2.800 11 2H2 G 1 2H2 G 1 4.747 -16.237 3.517 12 1H5* G 2 1H5* G 2 0.440 -12.469 7.013 13 2H5* G 2 2H5* G 2 1.123 -11.309 8.182 14 H4* G 2 H4* G 2 2.254 -13.595 8.034 15 H3* G 2 H3* G 2 3.900 -11.095 7.560 16 H2* G 2 H2* G 2 5.833 -12.500 7.499 17 2HO* G 2 2HO* G 2 5.680 -14.702 8.088 18 H1* G 2 H1* G 2 4.572 -14.484 6.012 19 H8 G 2 H8 G 2 3.384 -11.458 4.296 20 H1 G 2 H1 G 2 9.632 -12.352 3.299 21 1H2 G 2 1H2 G 2 10.440 -13.829 4.726 22 2H2 G 2 2H2 G 2 9.436 -14.611 5.927 23 1H5* A 3 1H5* A 3 6.064 -13.128 10.927 24 2H5* A 3 2H5* A 3 6.295 -11.797 12.093 25 H4* A 3 H4* A 3 8.405 -12.965 11.708 26 H3* A 3 H3* A 3 8.311 -10.226 10.416 27 H2* A 3 H2* A 3 10.653 -10.506 9.908 28 2HO* A 3 2HO* A 3 11.729 -12.413 10.639 29 H1* A 3 H1* A 3 10.282 -13.028 8.913 30 H8 A 3 H8 A 3 7.131 -11.199 8.020 31 1H6 A 3 1H6 A 3 10.245 -8.650 3.326 32 2H6 A 3 2H6 A 3 8.666 -8.896 4.038 33 H2 A 3 H2 A 3 13.176 -10.718 6.024 34 1H5* G 4 1H5* G 4 11.745 -10.114 12.759 35 2H5* G 4 2H5* G 4 11.883 -8.580 13.654 36 H4* G 4 H4* G 4 13.920 -9.064 12.364 37 H3* G 4 H3* G 4 12.300 -6.743 11.283 38 H2* G 4 H2* G 4 14.110 -6.328 9.758 39 2HO* G 4 2HO* G 4 15.870 -6.835 11.166 40 H1* G 4 H1* G 4 14.325 -8.963 9.044 41 H8 G 4 H8 G 4 10.672 -8.480 9.661 42 H1 G 4 H1 G 4 12.605 -5.822 4.182 43 1H2 G 4 1H2 G 4 14.813 -5.753 4.101 44 2H2 G 4 2H2 G 4 15.811 -6.377 5.394 45 1H5* G 5 1H5* G 5 16.199 -4.805 11.866 46 2H5* G 5 2H5* G 5 15.809 -3.233 12.615 47 H4* G 5 H4* G 5 17.191 -3.067 10.527 48 H3* G 5 H3* G 5 14.431 -1.818 10.458 49 H2* G 5 H2* G 5 14.993 -0.916 8.303 50 2HO* G 5 2HO* G 5 17.125 -1.216 7.477 51 H1* G 5 H1* G 5 16.047 -3.284 7.394 52 H8 G 5 H8 G 5 13.205 -4.399 9.546 53 H1 G 5 H1 G 5 11.196 -1.840 4.044 54 1H2 G 5 1H2 G 5 12.868 -0.819 3.012 55 2H2 G 5 2H2 G 5 14.480 -0.761 3.690 56 1H5* A 6 1H5* A 6 17.460 1.282 9.325 57 2H5* A 6 2H5* A 6 16.812 2.860 9.848 58 H4* A 6 H4* A 6 17.443 2.566 7.360 59 H3* A 6 H3* A 6 14.685 3.534 8.150 60 H2* A 6 H2* A 6 14.279 3.927 5.822 61 2HO* A 6 2HO* A 6 15.965 3.707 4.306 62 H1* A 6 H1* A 6 15.390 1.539 5.039 63 H8 A 6 H8 A 6 13.511 0.874 8.248 64 1H6 A 6 1H6 A 6 8.359 0.596 4.846 65 2H6 A 6 2H6 A 6 9.059 0.297 6.420 66 H2 A 6 H2 A 6 11.662 2.165 2.255 67 1H5* C 7 1H5* C 7 16.227 6.175 5.223 68 2H5* C 7 2H5* C 7 15.604 7.827 5.473 69 H4* C 7 H4* C 7 15.068 6.743 3.232 70 H3* C 7 H3* C 7 12.767 7.628 4.979 71 H2* C 7 H2* C 7 11.335 7.183 3.094 72 2HO* C 7 2HO* C 7 13.768 6.667 1.665 73 H1* C 7 H1* C 7 12.554 4.768 2.570 74 1H4 C 7 1H4 C 7 7.624 3.571 6.474 75 2H4 C 7 2H4 C 7 8.698 3.695 7.850 76 H5 C 7 H5 C 7 11.046 4.405 7.656 77 H6 C 7 H6 C 7 12.753 5.124 6.102 78 1H5* A 8 1H5* A 8 11.937 9.410 1.377 79 2H5* A 8 2H5* A 8 11.345 11.077 1.610 80 H4* A 8 H4* A 8 9.748 9.661 0.347 81 H3* A 8 H3* A 8 8.835 10.559 3.091 82 H2* A 8 H2* A 8 6.683 9.593 2.586 83 2HO* A 8 2HO* A 8 6.376 8.606 0.509 84 H1* A 8 H1* A 8 7.742 7.266 1.729 85 H8 A 8 H8 A 8 10.259 7.983 4.275 86 1H6 A 8 1H6 A 8 6.130 6.631 8.674 87 2H6 A 8 2H6 A 8 7.823 6.906 8.332 88 H2 A 8 H2 A 8 3.947 7.130 4.799 89 1H5* U 9 1H5* U 9 5.922 10.963 0.998 90 2H5* U 9 2H5* U 9 5.243 12.576 0.692 91 H4* U 9 H4* U 9 3.476 10.974 1.173 92 H3* U 9 H3* U 9 3.971 13.137 3.182 93 H2* U 9 H2* U 9 2.531 12.202 4.716 94 2HO* U 9 2HO* U 9 0.736 12.061 3.297 95 H1* U 9 H1* U 9 2.780 9.481 4.029 96 H3 U 9 H3 U 9 3.846 10.026 8.474 97 H5 U 9 H5 U 9 7.345 10.858 6.304 98 H6 U 9 H6 U 9 6.029 10.817 4.283 99 1H5* U 10 1H5* U 10 0.494 16.497 2.428 100 2H5* U 10 2H5* U 10 1.532 15.260 3.169 101 H4* U 10 H4* U 10 -0.485 14.054 1.477 102 H3* U 10 H3* U 10 -1.541 16.225 3.197 103 H2* U 10 H2* U 10 -1.810 14.748 5.021 104 2HO* U 10 2HO* U 10 -3.980 14.812 4.244 105 H1* U 10 H1* U 10 -1.728 12.473 3.024 106 H3 U 10 H3 U 10 -2.263 9.549 6.466 107 H5 U 10 H5 U 10 0.988 11.936 7.642 108 H6 U 10 H6 U 10 0.608 13.329 5.690 109 1H5* C 11 1H5* C 11 -5.832 14.795 0.254 110 2H5* C 11 2H5* C 11 -7.019 15.330 1.475 111 H4* C 11 H4* C 11 -7.591 13.096 0.844 112 H3* C 11 H3* C 11 -6.715 13.552 3.588 113 H2* C 11 H2* C 11 -5.131 11.838 3.574 114 2HO* C 11 2HO* C 11 -6.063 9.710 3.727 115 H1* C 11 H1* C 11 -6.507 10.493 1.249 116 1H4 C 11 1H4 C 11 -0.858 7.584 0.793 117 2H4 C 11 2H4 C 11 -0.003 9.050 1.215 118 H5 C 11 H5 C 11 -1.153 11.158 1.754 119 H6 C 11 H6 C 11 -3.317 12.209 1.975 120 1H5* C 12 1H5* C 12 -10.755 10.872 2.636 121 2H5* C 12 2H5* C 12 -11.630 12.246 1.900 122 H4* C 12 H4* C 12 -13.412 11.095 2.704 123 H3* C 12 H3* C 12 -13.047 13.252 4.283 124 H2* C 12 H2* C 12 -11.593 12.194 5.849 125 2HO* C 12 2HO* C 12 -12.901 11.595 7.709 126 H1* C 12 H1* C 12 -13.350 9.741 6.010 127 1H4 C 12 1H4 C 12 -7.960 7.684 8.748 128 2H4 C 12 2H4 C 12 -7.048 8.059 7.305 129 H5 C 12 H5 C 12 -8.039 9.165 5.343 130 H6 C 12 H6 C 12 -10.087 10.081 4.443 131 1H5* U 13 1H5* U 13 -16.692 10.754 1.946 132 2H5* U 13 2H5* U 13 -15.051 10.254 2.428 133 H4* U 13 H4* U 13 -14.559 11.455 0.032 134 H3* U 13 H3* U 13 -17.187 11.454 -0.328 135 H2* U 13 H2* U 13 -17.459 9.239 0.585 136 2HO* U 13 2HO* U 13 -17.422 8.990 -2.245 137 H1* U 13 H1* U 13 -15.377 8.267 -1.372 138 H3 U 13 H3 U 13 -14.883 4.170 0.728 139 H5 U 13 H5 U 13 -16.935 6.611 3.522 140 H6 U 13 H6 U 13 -16.715 8.398 2.021 141 1H5* C 14 1H5* C 14 -12.524 12.288 -0.602 142 2H5* C 14 2H5* C 14 -12.079 12.553 -2.309 143 H4* C 14 H4* C 14 -10.260 11.308 -1.859 144 H3* C 14 H3* C 14 -12.264 9.041 -1.608 145 H2* C 14 H2* C 14 -10.412 7.647 -1.061 146 2HO* C 14 2HO* C 14 -8.282 8.326 -1.442 147 H1* C 14 H1* C 14 -9.090 9.705 0.350 148 1H4 C 14 1H4 C 14 -11.305 6.056 5.026 149 2H4 C 14 2H4 C 14 -12.960 6.265 4.496 150 H5 C 14 H5 C 14 -13.568 7.574 2.491 151 H6 C 14 H6 C 14 -12.664 8.876 0.661 152 1H5* A 15 1H5* A 15 -8.755 8.173 -4.071 153 2H5* A 15 2H5* A 15 -9.163 7.084 -5.419 154 H4* A 15 H4* A 15 -7.159 6.300 -4.271 155 H3* A 15 H3* A 15 -9.590 4.576 -3.755 156 H2* A 15 H2* A 15 -8.176 3.049 -2.545 157 2HO* A 15 2HO* A 15 -5.908 3.367 -2.542 158 H1* A 15 H1* A 15 -6.877 5.042 -1.171 159 H8 A 15 H8 A 15 -10.536 5.770 -1.897 160 1H6 A 15 1H6 A 15 -11.662 2.963 3.562 161 2H6 A 15 2H6 A 15 -12.389 3.876 2.258 162 H2 A 15 H2 A 15 -7.299 2.514 2.519 163 1H5* C 16 1H5* C 16 -6.534 2.134 -5.448 164 2H5* C 16 2H5* C 16 -7.178 0.857 -6.514 165 H4* C 16 H4* C 16 -5.699 0.063 -4.629 166 H3* C 16 H3* C 16 -8.559 -0.918 -4.744 167 H2* C 16 H2* C 16 -8.023 -2.403 -2.942 168 2HO* C 16 2HO* C 16 -5.846 -2.580 -2.221 169 H1* C 16 H1* C 16 -6.590 -0.480 -1.554 170 1H4 C 16 1H4 C 16 -12.542 -0.454 0.791 171 2H4 C 16 2H4 C 16 -12.931 0.884 -0.268 172 H5 C 16 H5 C 16 -11.385 1.718 -1.985 173 H6 C 16 H6 C 16 -9.211 1.404 -2.989 174 1H5* G 17 1H5* G 17 -5.881 -4.180 -4.535 175 2H5* G 17 2H5* G 17 -6.291 -5.427 -5.740 176 H4* G 17 H4* G 17 -5.893 -6.451 -3.569 177 H3* G 17 H3* G 17 -8.813 -6.404 -4.360 178 H2* G 17 H2* G 17 -9.276 -7.746 -2.419 179 2HO* G 17 2HO* G 17 -7.529 -8.503 -1.132 180 H1* G 17 H1* G 17 -7.727 -6.187 -0.772 181 H8 G 17 H8 G 17 -9.270 -3.878 -3.334 182 H1 G 17 H1 G 17 -13.325 -5.521 1.336 183 1H2 G 17 1H2 G 17 -12.479 -7.173 2.541 184 2H2 G 17 2H2 G 17 -10.907 -7.861 2.199 185 1H5* G 18 1H5* G 18 -8.006 -10.423 -3.629 186 2H5* G 18 2H5* G 18 -8.796 -11.499 -4.812 187 H4* G 18 H4* G 18 -9.393 -12.036 -2.465 188 H3* G 18 H3* G 18 -11.655 -10.947 -4.161 189 H2* G 18 H2* G 18 -13.127 -11.480 -2.346 190 2HO* G 18 2HO* G 18 -12.334 -12.666 -0.545 191 H1* G 18 H1* G 18 -11.341 -10.542 -0.420 192 H8 G 18 H8 G 18 -11.226 -8.097 -3.273 193 H1 G 18 H1 G 18 -16.491 -7.472 0.318 194 1H2 G 18 1H2 G 18 -16.682 -9.192 1.696 195 2H2 G 18 2H2 G 18 -15.516 -10.494 1.729 196 1H5* G 19 1H5* G 19 -12.909 -14.463 -2.698 197 2H5* G 19 2H5* G 19 -13.664 -15.577 -3.865 198 H4* G 19 H4* G 19 -14.983 -15.095 -1.741 199 H3* G 19 H3* G 19 -16.247 -14.439 -4.414 200 H2* G 19 H2* G 19 -18.282 -14.022 -3.209 201 2HO* G 19 2HO* G 19 -18.290 -14.418 -0.900 202 H1* G 19 H1* G 19 -16.971 -12.614 -1.205 203 H8 G 19 H8 G 19 -16.016 -12.319 -4.979 204 H1 G 19 H1 G 19 -19.820 -7.680 -2.735 205 1H2 G 19 1H2 G 19 -20.339 -8.069 -0.634 206 2H2 G 19 2H2 G 19 -19.755 -9.472 0.232 207 1H5* U 20 1H5* U 20 -17.695 -15.191 -6.695 208 2H5* U 20 2H5* U 20 -18.301 -15.222 -5.017 209 H4* U 20 H4* U 20 -19.586 -16.293 -7.525 210 H3* U 20 H3* U 20 -20.483 -14.480 -5.282 211 H2* U 20 H2* U 20 -22.737 -15.181 -5.613 212 2HO* U 20 2HO* U 20 -22.672 -15.139 -7.949 213 H1* U 20 H1* U 20 -22.098 -17.847 -6.065 214 H3 U 20 H3 U 20 -23.889 -18.502 -2.021 215 H5 U 20 H5 U 20 -20.790 -15.777 -1.211 216 H6 U 20 H6 U 20 -20.327 -15.695 -3.599 217 1H5* G 21 1H5* G 21 -21.924 -11.024 -5.327 218 2H5* G 21 2H5* G 21 -21.140 -12.432 -4.560 219 H4* G 21 H4* G 21 -24.107 -11.980 -4.314 220 H3* G 21 H3* G 21 -21.942 -10.752 -2.602 221 H2* G 21 H2* G 21 -23.394 -10.994 -0.722 222 2HO* G 21 2HO* G 21 -25.373 -10.426 -1.794 223 H1* G 21 H1* G 21 -24.178 -13.536 -1.399 224 H8 G 21 H8 G 21 -20.506 -12.496 -2.005 225 H1 G 21 H1 G 21 -21.601 -15.471 3.539 226 1H2 G 21 1H2 G 21 -23.770 -15.817 3.808 227 2H2 G 21 2H2 G 21 -24.946 -15.312 2.619 228 1H5* A 22 1H5* A 22 -25.060 -6.435 -0.502 229 2H5* A 22 2H5* A 22 -23.598 -7.357 -0.067 230 H4* A 22 H4* A 22 -26.499 -8.152 0.317 231 H3* A 22 H3* A 22 -24.187 -7.654 2.184 232 H2* A 22 H2* A 22 -24.982 -9.340 3.689 233 2HO* A 22 2HO* A 22 -27.262 -9.479 1.952 234 H1* A 22 H1* A 22 -25.411 -11.175 1.752 235 H8 A 22 H8 A 22 -22.569 -9.347 0.300 236 1H6 A 22 1H6 A 22 -18.786 -12.316 4.135 237 2H6 A 22 2H6 A 22 -18.888 -11.299 2.717 238 H2 A 22 H2 A 22 -22.964 -13.024 5.507 239 1H5* C 23 1H5* C 23 -23.570 -5.605 5.077 240 2H5* C 23 2H5* C 23 -23.583 -6.224 3.413 241 H4* C 23 H4* C 23 -22.882 -8.178 5.518 242 H3* C 23 H3* C 23 -21.075 -5.847 4.849 243 H2* C 23 H2* C 23 -19.199 -7.332 4.970 244 2HO* C 23 2HO* C 23 -21.094 -9.308 5.822 245 H1* C 23 H1* C 23 -20.388 -9.267 3.464 246 1H4 C 23 1H4 C 23 -17.421 -5.403 -0.669 247 2H4 C 23 2H4 C 23 -18.862 -4.418 -0.796 248 H5 C 23 H5 C 23 -20.853 -4.779 0.600 249 H6 C 23 H6 C 23 -21.813 -6.153 2.356 250 1H5* C 24 1H5* C 24 -19.280 -7.951 7.930 251 2H5* C 24 2H5* C 24 -18.446 -6.895 9.099 252 H4* C 24 H4* C 24 -16.984 -8.641 8.033 253 H3* C 24 H3* C 24 -16.283 -5.750 7.467 254 H2* C 24 H2* C 24 -14.267 -6.570 6.456 255 2HO* C 24 2HO* C 24 -13.722 -8.789 6.630 256 H1* C 24 H1* C 24 -15.583 -8.688 5.194 257 1H4 C 24 1H4 C 24 -15.080 -4.066 0.817 258 2H4 C 24 2H4 C 24 -16.491 -3.264 1.470 259 H5 C 24 H5 C 24 -17.639 -4.032 3.503 260 H6 C 24 H6 C 24 -17.636 -5.693 5.254 261 1H5* G 25 1H5* G 25 -12.859 -7.587 8.776 262 2H5* G 25 2H5* G 25 -12.176 -6.707 10.166 263 H4* G 25 H4* G 25 -10.423 -7.238 8.568 264 H3* G 25 H3* G 25 -11.184 -4.309 8.535 265 H2* G 25 H2* G 25 -9.323 -3.952 7.065 266 2HO* G 25 2HO* G 25 -8.687 -6.708 7.534 267 H1* G 25 H1* G 25 -9.902 -6.167 5.519 268 H8 G 25 H8 G 25 -13.216 -4.655 6.474 269 H1 G 25 H1 G 25 -10.243 -1.385 1.835 270 1H2 G 25 1H2 G 25 -8.150 -2.069 1.643 271 2H2 G 25 2H2 G 25 -7.486 -3.339 2.647 272 1H5* U 26 1H5* U 26 -7.104 -4.489 9.054 273 2H5* U 26 2H5* U 26 -6.478 -3.222 10.142 274 H4* U 26 H4* U 26 -5.498 -3.278 7.796 275 H3* U 26 H3* U 26 -6.884 -0.759 8.739 276 H2* U 26 H2* U 26 -6.139 0.293 6.724 277 2HO* U 26 2HO* U 26 -4.564 -0.676 5.418 278 H1* U 26 H1* U 26 -6.555 -2.010 5.156 279 H3 U 26 H3 U 26 -9.316 1.398 3.722 280 H5 U 26 H5 U 26 -11.400 -0.566 6.819 281 H6 U 26 H6 U 26 -9.371 -1.790 7.320 282 1H5* G 27 1H5* G 27 -2.747 -0.415 7.586 283 2H5* G 27 2H5* G 27 -1.834 0.926 8.325 284 H4* G 27 H4* G 27 -2.067 0.600 5.683 285 H3* G 27 H3* G 27 -1.116 2.709 7.210 286 H2* G 27 H2* G 27 -3.160 3.863 7.356 287 2HO* G 27 2HO* G 27 -1.765 5.309 6.278 288 H1* G 27 H1* G 27 -3.820 3.181 4.492 289 H8 G 27 H8 G 27 -5.551 2.572 7.884 290 H1 G 27 H1 G 27 -8.755 6.320 3.816 291 1H2 G 27 1H2 G 27 -7.535 6.699 2.017 292 2H2 G 27 2H2 G 27 -5.939 6.017 1.807 293 1H5* G 28 1H5* G 28 -1.539 3.928 2.034 294 2H5* G 28 2H5* G 28 -1.632 2.413 1.102 295 H4* G 28 H4* G 28 -0.429 3.908 -0.250 296 H3* G 28 H3* G 28 1.398 2.034 1.238 297 H2* G 28 H2* G 28 3.319 3.081 0.316 298 2HO* G 28 2HO* G 28 3.088 4.707 -1.295 299 H1* G 28 H1* G 28 2.510 5.607 0.761 300 H8 G 28 H8 G 28 0.968 3.854 3.688 301 H1 G 28 H1 G 28 7.322 4.445 4.227 302 1H2 G 28 1H2 G 28 8.201 5.064 2.297 303 2H2 G 28 2H2 G 28 7.221 5.334 0.874 304 1H5* U 29 1H5* U 29 2.544 1.723 -2.926 305 2H5* U 29 2H5* U 29 3.021 0.052 -3.337 306 H4* U 29 H4* U 29 4.762 1.805 -3.811 307 H3* U 29 H3* U 29 5.451 -0.330 -1.778 308 H2* U 29 H2* U 29 7.649 0.556 -1.752 309 2HO* U 29 2HO* U 29 8.348 2.022 -3.336 310 H1* U 29 H1* U 29 6.787 3.212 -2.012 311 H3 U 29 H3 U 29 9.037 2.435 2.031 312 H5 U 29 H5 U 29 4.988 1.463 2.702 313 H6 U 29 H6 U 29 4.612 1.678 0.334 314 1H5* C 30 1H5* C 30 8.580 -0.193 -4.716 315 2H5* C 30 2H5* C 30 9.408 -1.770 -4.804 316 H4* C 30 H4* C 30 10.727 0.358 -4.020 317 H3* C 30 H3* C 30 10.815 -2.299 -2.584 318 H2* C 30 H2* C 30 12.386 -1.381 -1.046 319 2HO* C 30 2HO* C 30 13.378 0.627 -1.448 320 H1* C 30 H1* C 30 11.132 1.096 -0.877 321 1H4 C 30 1H4 C 30 9.258 -2.483 4.131 322 2H4 C 30 2H4 C 30 7.735 -2.721 3.311 323 H5 C 30 H5 C 30 7.326 -1.988 1.013 324 H6 C 30 H6 C 30 8.310 -0.910 -0.905 325 1H5* C 31 1H5* C 31 14.781 -1.277 -2.780 326 2H5* C 31 2H5* C 31 15.716 -2.581 -3.559 327 H4* C 31 H4* C 31 16.799 -2.018 -1.483 328 H3* C 31 H3* C 31 15.218 -4.591 -1.274 329 H2* C 31 H2* C 31 16.084 -4.874 0.941 330 2HO* C 31 2HO* C 31 17.686 -3.457 1.737 331 H1* C 31 H1* C 31 15.645 -2.261 1.658 332 1H4 C 31 1H4 C 31 10.328 -5.376 3.317 333 2H4 C 31 2H4 C 31 9.658 -5.095 1.727 334 H5 C 31 H5 C 31 10.940 -4.069 -0.095 335 H6 C 31 H6 C 31 13.084 -3.135 -0.694 336 1H5* U 32 1H5* U 32 18.389 -5.966 0.626 337 2H5* U 32 2H5* U 32 19.165 -7.157 -0.447 338 H4* U 32 H4* U 32 19.022 -8.244 1.624 339 H3* U 32 H3* U 32 16.618 -9.059 -0.013 340 H2* U 32 H2* U 32 16.042 -10.565 1.734 341 2HO* U 32 2HO* U 32 17.456 -10.873 3.504 342 H1* U 32 H1* U 32 16.457 -8.783 3.718 343 H3 U 32 H3 U 32 11.998 -9.299 3.279 344 H5 U 32 H5 U 32 13.006 -6.444 0.377 345 H6 U 32 H6 U 32 15.366 -6.902 0.843 346 1H5* C 33 1H5* C 33 18.452 -12.548 1.646 347 2H5* C 33 2H5* C 33 18.230 -13.950 0.569 348 H4* C 33 H4* C 33 17.341 -14.273 2.897 349 H3* C 33 H3* C 33 15.310 -14.340 0.652 350 H2* C 33 H2* C 33 13.719 -15.064 2.281 351 2HO* C 33 2HO* C 33 15.951 -15.207 4.066 352 H1* C 33 H1* C 33 14.528 -13.221 4.161 353 1H4 C 33 1H4 C 33 9.670 -10.538 1.003 354 2H4 C 33 2H4 C 33 10.771 -9.947 -0.224 355 H5 C 33 H5 C 33 13.165 -10.523 -0.262 356 H6 C 33 H6 C 33 14.895 -11.775 0.867 357 1H5* C 34 1H5* C 34 14.812 -17.803 3.163 358 2H5* C 34 2H5* C 34 14.382 -19.186 2.130 359 H4* C 34 H4* C 34 12.788 -18.720 4.031 360 H3* C 34 H3* C 34 11.721 -18.591 1.201 361 H2* C 34 H2* C 34 9.531 -18.335 2.121 362 2HO* C 34 2HO* C 34 9.239 -18.556 4.419 363 H1* C 34 H1* C 34 10.366 -16.602 4.143 364 1H4 C 34 1H4 C 34 8.128 -12.954 -0.605 365 2H4 C 34 2H4 C 34 9.722 -12.910 -1.326 366 H5 C 34 H5 C 34 11.613 -14.239 -0.476 367 H6 C 34 H6 C 34 12.290 -15.829 1.211 Start of MODEL 18 1 1H5* G 1 1H5* G 1 1.052 -13.250 1.906 2 2H5* G 1 2H5* G 1 2.422 -13.157 0.800 3 H4* G 1 H4* G 1 1.836 -15.468 2.665 4 H3* G 1 H3* G 1 3.836 -13.205 2.879 5 H2* G 1 H2* G 1 5.315 -14.712 3.994 6 2HO* G 1 2HO* G 1 4.632 -16.740 4.670 7 H1* G 1 H1* G 1 4.900 -16.757 2.233 8 H8 G 1 H8 G 1 4.807 -13.617 0.179 9 H1 G 1 H1 G 1 10.749 -15.270 1.864 10 1H2 G 1 1H2 G 1 10.696 -16.852 3.405 11 2H2 G 1 2H2 G 1 9.193 -17.509 4.013 12 1H5* G 2 1H5* G 2 3.699 -14.847 6.944 13 2H5* G 2 2H5* G 2 3.991 -13.483 8.059 14 H4* G 2 H4* G 2 5.640 -15.453 8.137 15 H3* G 2 H3* G 2 6.661 -12.640 7.669 16 H2* G 2 H2* G 2 8.877 -13.519 7.840 17 2HO* G 2 2HO* G 2 9.215 -15.674 8.522 18 H1* G 2 H1* G 2 8.288 -15.798 6.354 19 H8 G 2 H8 G 2 6.551 -13.217 4.387 20 H1 G 2 H1 G 2 12.891 -12.525 3.963 21 1H2 G 2 1H2 G 2 13.904 -13.714 5.528 22 2H2 G 2 2H2 G 2 13.015 -14.694 6.673 23 1H5* A 3 1H5* A 3 8.943 -13.932 11.328 24 2H5* A 3 2H5* A 3 8.693 -12.547 12.426 25 H4* A 3 H4* A 3 11.061 -13.115 12.320 26 H3* A 3 H3* A 3 10.397 -10.564 10.830 27 H2* A 3 H2* A 3 12.774 -10.233 10.559 28 2HO* A 3 2HO* A 3 14.222 -11.750 11.520 29 H1* A 3 H1* A 3 13.182 -12.800 9.714 30 H8 A 3 H8 A 3 9.772 -11.939 8.414 31 1H6 A 3 1H6 A 3 12.567 -8.837 3.856 32 2H6 A 3 2H6 A 3 11.048 -9.479 4.436 33 H2 A 3 H2 A 3 15.644 -9.902 6.946 34 1H5* G 4 1H5* G 4 13.383 -9.392 13.508 35 2H5* G 4 2H5* G 4 13.005 -7.824 14.268 36 H4* G 4 H4* G 4 15.234 -7.823 13.218 37 H3* G 4 H3* G 4 13.192 -6.082 11.811 38 H2* G 4 H2* G 4 14.986 -5.280 10.426 39 2HO* G 4 2HO* G 4 16.651 -5.236 12.035 40 H1* G 4 H1* G 4 15.945 -7.793 9.938 41 H8 G 4 H8 G 4 12.254 -8.289 10.210 42 H1 G 4 H1 G 4 13.945 -5.463 4.735 43 1H2 G 4 1H2 G 4 16.051 -4.798 4.835 44 2H2 G 4 2H2 G 4 17.044 -5.068 6.248 45 1H5* G 5 1H5* G 5 16.366 -3.179 12.483 46 2H5* G 5 2H5* G 5 15.534 -1.714 13.069 47 H4* G 5 H4* G 5 16.998 -1.351 11.058 48 H3* G 5 H3* G 5 14.031 -0.831 10.730 49 H2* G 5 H2* G 5 14.517 0.037 8.544 50 2HO* G 5 2HO* G 5 16.724 0.206 7.869 51 H1* G 5 H1* G 5 16.189 -2.045 7.897 52 H8 G 5 H8 G 5 13.554 -3.718 9.937 53 H1 G 5 H1 G 5 11.396 -2.016 4.161 54 1H2 G 5 1H2 G 5 12.833 -0.655 3.170 55 2H2 G 5 2H2 G 5 14.323 -0.159 3.942 56 1H5* A 6 1H5* A 6 16.277 2.765 9.455 57 2H5* A 6 2H5* A 6 15.265 4.195 9.800 58 H4* A 6 H4* A 6 16.088 3.800 7.367 59 H3* A 6 H3* A 6 13.163 4.289 7.984 60 H2* A 6 H2* A 6 12.782 4.362 5.626 61 2HO* A 6 2HO* A 6 14.550 4.346 4.174 62 H1* A 6 H1* A 6 14.431 2.210 5.103 63 H8 A 6 H8 A 6 12.500 1.394 8.238 64 1H6 A 6 1H6 A 6 7.802 -0.234 4.571 65 2H6 A 6 2H6 A 6 8.426 -0.261 6.204 66 H2 A 6 H2 A 6 10.886 1.843 2.060 67 1H5* C 7 1H5* C 7 14.328 6.849 4.829 68 2H5* C 7 2H5* C 7 13.422 8.382 4.887 69 H4* C 7 H4* C 7 13.184 6.986 2.760 70 H3* C 7 H3* C 7 10.713 7.714 4.335 71 H2* C 7 H2* C 7 9.409 6.798 2.547 72 2HO* C 7 2HO* C 7 10.618 7.597 0.770 73 H1* C 7 H1* C 7 11.117 4.621 2.193 74 1H4 C 7 1H4 C 7 6.285 2.617 5.866 75 2H4 C 7 2H4 C 7 7.191 3.070 7.294 76 H5 C 7 H5 C 7 9.336 4.272 7.193 77 H6 C 7 H6 C 7 10.970 5.247 5.697 78 1H5* A 8 1H5* A 8 8.366 10.688 0.334 79 2H5* A 8 2H5* A 8 7.575 10.166 1.847 80 H4* A 8 H4* A 8 7.583 8.902 -0.858 81 H3* A 8 H3* A 8 5.585 9.288 1.366 82 H2* A 8 H2* A 8 4.397 7.306 0.725 83 2HO* A 8 2HO* A 8 5.115 6.123 -1.141 84 H1* A 8 H1* A 8 6.548 5.742 0.584 85 H8 A 8 H8 A 8 7.914 8.010 3.106 86 1H6 A 8 1H6 A 8 4.100 5.525 7.306 87 2H6 A 8 2H6 A 8 5.508 6.534 7.070 88 H2 A 8 H2 A 8 2.744 4.255 3.227 89 1H5* U 9 1H5* U 9 3.514 8.064 -1.220 90 2H5* U 9 2H5* U 9 2.236 9.030 -1.992 91 H4* U 9 H4* U 9 1.442 6.799 -1.385 92 H3* U 9 H3* U 9 0.200 9.211 -0.303 93 H2* U 9 H2* U 9 -0.371 8.354 1.759 94 2HO* U 9 2HO* U 9 -1.326 6.140 0.287 95 H1* U 9 H1* U 9 0.713 5.688 1.557 96 H3 U 9 H3 U 9 0.892 6.769 5.989 97 H5 U 9 H5 U 9 3.836 9.142 4.140 98 H6 U 9 H6 U 9 3.017 8.395 2.012 99 1H5* U 10 1H5* U 10 -2.026 9.295 1.055 100 2H5* U 10 2H5* U 10 -3.499 9.989 0.337 101 H4* U 10 H4* U 10 -2.531 12.172 0.316 102 H3* U 10 H3* U 10 -0.018 11.178 0.108 103 H2* U 10 H2* U 10 -0.032 10.276 2.319 104 2HO* U 10 2HO* U 10 1.144 12.849 2.395 105 H1* U 10 H1* U 10 -1.204 12.947 3.158 106 H3 U 10 H3 U 10 -2.551 11.755 7.427 107 H5 U 10 H5 U 10 -0.394 8.426 5.986 108 H6 U 10 H6 U 10 -0.311 9.503 3.833 109 1H5* C 11 1H5* C 11 -2.639 15.650 1.448 110 2H5* C 11 2H5* C 11 -2.214 13.989 1.929 111 H4* C 11 H4* C 11 -4.904 15.093 1.114 112 H3* C 11 H3* C 11 -3.799 14.190 3.677 113 H2* C 11 H2* C 11 -4.619 12.032 3.475 114 2HO* C 11 2HO* C 11 -6.276 13.060 4.783 115 H1* C 11 H1* C 11 -6.629 12.920 1.403 116 1H4 C 11 1H4 C 11 -6.384 6.869 -0.673 117 2H4 C 11 2H4 C 11 -5.470 6.404 0.742 118 H5 C 11 H5 C 11 -4.670 8.023 2.408 119 H6 C 11 H6 C 11 -4.612 10.359 2.985 120 1H5* C 12 1H5* C 12 -8.192 14.275 4.056 121 2H5* C 12 2H5* C 12 -8.459 15.942 4.646 122 H4* C 12 H4* C 12 -10.239 14.622 5.448 123 H3* C 12 H3* C 12 -8.613 15.875 7.363 124 H2* C 12 H2* C 12 -7.597 13.850 8.101 125 2HO* C 12 2HO* C 12 -8.999 12.943 9.840 126 H1* C 12 H1* C 12 -10.239 12.409 7.659 127 1H4 C 12 1H4 C 12 -6.366 7.492 8.998 128 2H4 C 12 2H4 C 12 -5.489 7.784 7.514 129 H5 C 12 H5 C 12 -5.931 9.723 6.063 130 H6 C 12 H6 C 12 -7.287 11.690 5.799 131 1H5* U 13 1H5* U 13 -14.248 14.565 6.713 132 2H5* U 13 2H5* U 13 -12.733 14.152 7.554 133 H4* U 13 H4* U 13 -12.035 14.981 4.944 134 H3* U 13 H3* U 13 -14.628 13.953 4.679 135 H2* U 13 H2* U 13 -14.115 11.822 5.545 136 2HO* U 13 2HO* U 13 -14.773 11.479 3.354 137 H1* U 13 H1* U 13 -11.456 11.887 4.120 138 H3 U 13 H3 U 13 -9.517 8.462 6.423 139 H5 U 13 H5 U 13 -13.115 9.213 8.471 140 H6 U 13 H6 U 13 -13.481 11.072 7.045 141 1H5* C 14 1H5* C 14 -12.871 12.547 -0.107 142 2H5* C 14 2H5* C 14 -12.750 12.067 1.604 143 H4* C 14 H4* C 14 -10.359 12.012 -0.243 144 H3* C 14 H3* C 14 -12.345 9.772 0.263 145 H2* C 14 H2* C 14 -10.523 8.246 0.011 146 2HO* C 14 2HO* C 14 -8.848 10.446 -0.684 147 H1* C 14 H1* C 14 -8.744 9.870 1.427 148 1H4 C 14 1H4 C 14 -10.744 5.549 5.649 149 2H4 C 14 2H4 C 14 -12.242 6.427 5.882 150 H5 C 14 H5 C 14 -12.855 8.415 4.562 151 H6 C 14 H6 C 14 -12.112 9.881 2.795 152 1H5* A 15 1H5* A 15 -9.834 8.856 -3.088 153 2H5* A 15 2H5* A 15 -10.636 7.779 -4.254 154 H4* A 15 H4* A 15 -8.431 6.961 -3.265 155 H3* A 15 H3* A 15 -10.926 5.277 -2.974 156 H2* A 15 H2* A 15 -9.581 3.559 -1.960 157 2HO* A 15 2HO* A 15 -7.294 3.805 -1.899 158 H1* A 15 H1* A 15 -8.203 5.310 -0.358 159 H8 A 15 H8 A 15 -11.830 6.272 -0.940 160 1H6 A 15 1H6 A 15 -13.020 2.781 4.107 161 2H6 A 15 2H6 A 15 -13.726 3.889 2.950 162 H2 A 15 H2 A 15 -8.676 2.338 2.945 163 1H5* C 16 1H5* C 16 -7.860 2.923 -4.797 164 2H5* C 16 2H5* C 16 -8.509 1.677 -5.898 165 H4* C 16 H4* C 16 -7.089 0.796 -4.016 166 H3* C 16 H3* C 16 -9.986 -0.078 -4.129 167 H2* C 16 H2* C 16 -9.507 -1.584 -2.324 168 2HO* C 16 2HO* C 16 -7.344 -1.861 -1.611 169 H1* C 16 H1* C 16 -8.000 0.279 -0.935 170 1H4 C 16 1H4 C 16 -13.874 0.693 1.513 171 2H4 C 16 2H4 C 16 -14.335 1.818 0.254 172 H5 C 16 H5 C 16 -12.863 2.392 -1.621 173 H6 C 16 H6 C 16 -10.701 1.992 -2.615 174 1H5* G 17 1H5* G 17 -7.358 -3.437 -4.018 175 2H5* G 17 2H5* G 17 -7.879 -4.728 -5.132 176 H4* G 17 H4* G 17 -7.358 -5.540 -2.836 177 H3* G 17 H3* G 17 -10.222 -5.800 -3.772 178 H2* G 17 H2* G 17 -10.721 -6.983 -1.738 179 2HO* G 17 2HO* G 17 -7.894 -6.839 -1.260 180 H1* G 17 H1* G 17 -9.422 -5.180 -0.147 181 H8 G 17 H8 G 17 -10.765 -2.983 -2.830 182 H1 G 17 H1 G 17 -15.388 -5.078 1.059 183 1H2 G 17 1H2 G 17 -14.641 -6.733 2.317 184 2H2 G 17 2H2 G 17 -12.996 -7.320 2.208 185 1H5* G 18 1H5* G 18 -9.238 -9.541 -2.367 186 2H5* G 18 2H5* G 18 -9.826 -10.844 -3.433 187 H4* G 18 H4* G 18 -10.594 -11.025 -1.052 188 H3* G 18 H3* G 18 -12.720 -10.615 -3.166 189 H2* G 18 H2* G 18 -14.364 -10.953 -1.463 190 2HO* G 18 2HO* G 18 -13.171 -12.697 -0.395 191 H1* G 18 H1* G 18 -12.986 -9.430 0.416 192 H8 G 18 H8 G 18 -12.625 -7.487 -2.739 193 H1 G 18 H1 G 18 -18.558 -7.128 -0.356 194 1H2 G 18 1H2 G 18 -18.840 -8.652 1.220 195 2H2 G 18 2H2 G 18 -17.568 -9.757 1.687 196 1H5* G 19 1H5* G 19 -15.044 -12.102 -5.342 197 2H5* G 19 2H5* G 19 -14.452 -11.325 -3.853 198 H4* G 19 H4* G 19 -16.048 -13.322 -2.863 199 H3* G 19 H3* G 19 -17.326 -12.291 -5.405 200 H2* G 19 H2* G 19 -19.452 -12.368 -4.288 201 2HO* G 19 2HO* G 19 -19.522 -13.157 -2.101 202 H1* G 19 H1* G 19 -18.528 -11.087 -2.077 203 H8 G 19 H8 G 19 -16.928 -10.250 -5.510 204 H1 G 19 H1 G 19 -21.674 -6.371 -3.705 205 1H2 G 19 1H2 G 19 -22.568 -7.080 -1.827 206 2H2 G 19 2H2 G 19 -21.997 -8.512 -1.003 207 1H5* U 20 1H5* U 20 -18.869 -13.072 -8.148 208 2H5* U 20 2H5* U 20 -19.003 -13.122 -6.375 209 H4* U 20 H4* U 20 -20.766 -14.338 -8.462 210 H3* U 20 H3* U 20 -21.219 -13.070 -5.750 211 H2* U 20 H2* U 20 -23.331 -14.159 -5.664 212 2HO* U 20 2HO* U 20 -23.884 -13.692 -7.906 213 H1* U 20 H1* U 20 -22.388 -16.513 -6.886 214 H3 U 20 H3 U 20 -22.427 -18.686 -2.980 215 H5 U 20 H5 U 20 -21.061 -14.863 -1.876 216 H6 U 20 H6 U 20 -21.166 -14.222 -4.208 217 1H5* G 21 1H5* G 21 -24.450 -11.152 -7.102 218 2H5* G 21 2H5* G 21 -24.414 -9.418 -6.693 219 H4* G 21 H4* G 21 -26.245 -10.711 -5.566 220 H3* G 21 H3* G 21 -24.146 -9.411 -3.824 221 H2* G 21 H2* G 21 -25.397 -10.101 -1.908 222 2HO* G 21 2HO* G 21 -27.510 -9.694 -2.673 223 H1* G 21 H1* G 21 -25.908 -12.613 -2.855 224 H8 G 21 H8 G 21 -22.418 -11.126 -3.626 225 H1 G 21 H1 G 21 -22.736 -14.660 1.687 226 1H2 G 21 1H2 G 21 -24.825 -15.251 2.094 227 2H2 G 21 2H2 G 21 -26.148 -14.771 1.057 228 1H5* A 22 1H5* A 22 -27.934 -7.346 -2.629 229 2H5* A 22 2H5* A 22 -27.512 -5.882 -1.700 230 H4* A 22 H4* A 22 -28.716 -7.728 -0.423 231 H3* A 22 H3* A 22 -25.989 -6.842 0.541 232 H2* A 22 H2* A 22 -26.400 -8.188 2.502 233 2HO* A 22 2HO* A 22 -28.715 -7.730 2.611 234 H1* A 22 H1* A 22 -27.242 -10.320 0.986 235 H8 A 22 H8 A 22 -24.573 -8.612 -1.030 236 1H6 A 22 1H6 A 22 -20.359 -11.533 2.380 237 2H6 A 22 2H6 A 22 -20.634 -10.560 0.953 238 H2 A 22 H2 A 22 -24.331 -12.118 4.313 239 1H5* C 23 1H5* C 23 -26.897 -6.094 3.388 240 2H5* C 23 2H5* C 23 -26.077 -4.833 4.339 241 H4* C 23 H4* C 23 -25.173 -7.282 4.372 242 H3* C 23 H3* C 23 -23.370 -4.905 3.873 243 H2* C 23 H2* C 23 -21.521 -6.429 3.990 244 2HO* C 23 2HO* C 23 -21.845 -8.585 4.630 245 H1* C 23 H1* C 23 -22.787 -8.343 2.439 246 1H4 C 23 1H4 C 23 -19.213 -4.812 -1.508 247 2H4 C 23 2H4 C 23 -20.575 -3.744 -1.780 248 H5 C 23 H5 C 23 -22.688 -3.933 -0.536 249 H6 C 23 H6 C 23 -23.872 -5.187 1.164 250 1H5* C 24 1H5* C 24 -21.845 -7.162 7.095 251 2H5* C 24 2H5* C 24 -20.986 -6.161 8.296 252 H4* C 24 H4* C 24 -19.614 -8.019 7.299 253 H3* C 24 H3* C 24 -18.678 -5.186 6.774 254 H2* C 24 H2* C 24 -16.684 -6.154 5.849 255 2HO* C 24 2HO* C 24 -16.365 -8.433 5.985 256 H1* C 24 H1* C 24 -18.091 -8.117 4.474 257 1H4 C 24 1H4 C 24 -17.137 -3.360 0.323 258 2H4 C 24 2H4 C 24 -18.569 -2.542 0.909 259 H5 C 24 H5 C 24 -19.866 -3.344 2.832 260 H6 C 24 H6 C 24 -20.023 -5.062 4.516 261 1H5* G 25 1H5* G 25 -15.632 -7.499 8.437 262 2H5* G 25 2H5* G 25 -14.600 -6.608 9.582 263 H4* G 25 H4* G 25 -13.369 -7.807 7.738 264 H3* G 25 H3* G 25 -13.116 -4.800 7.919 265 H2* G 25 H2* G 25 -11.471 -4.915 6.180 266 2HO* G 25 2HO* G 25 -10.782 -6.973 5.404 267 H1* G 25 H1* G 25 -12.951 -6.634 4.633 268 H8 G 25 H8 G 25 -15.603 -4.480 6.094 269 H1 G 25 H1 G 25 -12.099 -1.299 1.778 270 1H2 G 25 1H2 G 25 -10.263 -2.432 1.302 271 2H2 G 25 2H2 G 25 -9.904 -3.980 2.031 272 1H5* U 26 1H5* U 26 -9.290 -6.079 7.706 273 2H5* U 26 2H5* U 26 -8.195 -5.198 8.806 274 H4* U 26 H4* U 26 -7.593 -5.113 6.347 275 H3* U 26 H3* U 26 -8.149 -2.514 7.794 276 H2* U 26 H2* U 26 -7.460 -1.360 5.816 277 2HO* U 26 2HO* U 26 -6.627 -3.915 4.818 278 H1* U 26 H1* U 26 -8.701 -3.181 4.088 279 H3 U 26 H3 U 26 -10.659 1.012 3.845 280 H5 U 26 H5 U 26 -12.763 -1.128 6.807 281 H6 U 26 H6 U 26 -11.047 -2.833 6.701 282 1H5* G 27 1H5* G 27 -4.271 -3.065 5.956 283 2H5* G 27 2H5* G 27 -2.933 -2.093 6.622 284 H4* G 27 H4* G 27 -3.712 -2.055 4.028 285 H3* G 27 H3* G 27 -1.827 -0.608 5.428 286 H2* G 27 H2* G 27 -3.306 1.107 6.115 287 2HO* G 27 2HO* G 27 -2.477 1.958 3.534 288 H1* G 27 H1* G 27 -4.634 1.097 3.394 289 H8 G 27 H8 G 27 -5.846 0.602 7.032 290 H1 G 27 H1 G 27 -8.306 5.688 4.039 291 1H2 G 27 1H2 G 27 -7.381 5.924 2.050 292 2H2 G 27 2H2 G 27 -6.167 4.816 1.446 293 1H5* G 28 1H5* G 28 -2.099 -0.030 0.447 294 2H5* G 28 2H5* G 28 -1.758 -1.627 -0.260 295 H4* G 28 H4* G 28 -0.701 -0.064 -1.671 296 H3* G 28 H3* G 28 1.274 -1.292 0.253 297 H2* G 28 H2* G 28 3.022 0.000 -0.723 298 2HO* G 28 2HO* G 28 2.612 1.286 -2.573 299 H1* G 28 H1* G 28 1.659 2.317 -0.704 300 H8 G 28 H8 G 28 0.350 0.540 2.344 301 H1 G 28 H1 G 28 6.227 2.939 3.177 302 1H2 G 28 1H2 G 28 7.065 3.604 1.244 303 2H2 G 28 2H2 G 28 6.180 3.452 -0.257 304 1H5* U 29 1H5* U 29 2.969 -2.133 -3.876 305 2H5* U 29 2H5* U 29 4.047 -3.545 -3.700 306 H4* U 29 H4* U 29 5.047 -1.284 -4.503 307 H3* U 29 H3* U 29 6.260 -2.820 -2.194 308 H2* U 29 H2* U 29 8.015 -1.217 -2.187 309 2HO* U 29 2HO* U 29 8.256 0.267 -3.895 310 H1* U 29 H1* U 29 6.314 0.934 -2.745 311 H3 U 29 H3 U 29 8.330 1.187 1.505 312 H5 U 29 H5 U 29 4.724 -0.947 1.979 313 H6 U 29 H6 U 29 4.536 -1.036 -0.417 314 1H5* C 30 1H5* C 30 9.426 -1.882 -4.894 315 2H5* C 30 2H5* C 30 10.726 -3.095 -4.754 316 H4* C 30 H4* C 30 11.210 -0.604 -4.111 317 H3* C 30 H3* C 30 11.975 -2.959 -2.381 318 H2* C 30 H2* C 30 12.980 -1.461 -0.825 319 2HO* C 30 2HO* C 30 12.605 0.543 -2.835 320 H1* C 30 H1* C 30 10.996 0.472 -1.025 321 1H4 C 30 1H4 C 30 9.760 -3.181 4.129 322 2H4 C 30 2H4 C 30 8.488 -3.941 3.203 323 H5 C 30 H5 C 30 8.145 -3.532 0.817 324 H6 C 30 H6 C 30 8.963 -2.327 -1.101 325 1H5* C 31 1H5* C 31 15.431 -0.735 -2.245 326 2H5* C 31 2H5* C 31 16.762 -1.724 -2.903 327 H4* C 31 H4* C 31 17.503 -0.830 -0.808 328 H3* C 31 H3* C 31 16.650 -3.720 -0.527 329 H2* C 31 H2* C 31 17.387 -3.661 1.752 330 2HO* C 31 2HO* C 31 18.420 -1.735 2.543 331 H1* C 31 H1* C 31 16.206 -1.246 2.279 332 1H4 C 31 1H4 C 31 11.803 -5.639 3.711 333 2H4 C 31 2H4 C 31 11.207 -5.586 2.069 334 H5 C 31 H5 C 31 12.309 -4.297 0.297 335 H6 C 31 H6 C 31 14.167 -2.837 -0.194 336 1H5* U 32 1H5* U 32 19.890 -4.097 1.647 337 2H5* U 32 2H5* U 32 21.044 -5.091 0.725 338 H4* U 32 H4* U 32 21.005 -6.056 2.866 339 H3* U 32 H3* U 32 19.070 -7.589 1.121 340 H2* U 32 H2* U 32 18.775 -9.103 2.936 341 2HO* U 32 2HO* U 32 20.055 -8.918 4.813 342 H1* U 32 H1* U 32 18.491 -7.161 4.791 343 H3 U 32 H3 U 32 14.427 -8.971 4.015 344 H5 U 32 H5 U 32 14.852 -6.032 1.057 345 H6 U 32 H6 U 32 17.196 -5.781 1.734 346 1H5* C 33 1H5* C 33 21.562 -10.375 3.169 347 2H5* C 33 2H5* C 33 21.843 -11.816 2.160 348 H4* C 33 H4* C 33 20.825 -12.305 4.403 349 H3* C 33 H3* C 33 19.132 -12.974 1.981 350 H2* C 33 H2* C 33 17.630 -14.057 3.490 351 2HO* C 33 2HO* C 33 18.176 -14.280 5.700 352 H1* C 33 H1* C 33 17.721 -12.014 5.336 353 1H4 C 33 1H4 C 33 12.683 -10.846 1.586 354 2H4 C 33 2H4 C 33 13.707 -9.997 0.448 355 H5 C 33 H5 C 33 16.159 -9.889 0.677 356 H6 C 33 H6 C 33 18.032 -10.593 2.032 357 1H5* C 34 1H5* C 34 19.323 -16.378 4.622 358 2H5* C 34 2H5* C 34 19.375 -17.852 3.629 359 H4* C 34 H4* C 34 17.536 -17.774 5.361 360 H3* C 34 H3* C 34 16.757 -18.028 2.445 361 H2* C 34 H2* C 34 14.499 -18.348 3.159 362 2HO* C 34 2HO* C 34 14.036 -18.615 5.400 363 H1* C 34 H1* C 34 14.638 -16.387 5.138 364 1H4 C 34 1H4 C 34 11.992 -13.648 0.004 365 2H4 C 34 2H4 C 34 13.580 -13.188 -0.572 366 H5 C 34 H5 C 34 15.661 -13.920 0.519 367 H6 C 34 H6 C 34 16.567 -15.209 2.350 Start of MODEL 19 1 1H5* G 1 1H5* G 1 -0.575 -6.408 2.578 2 2H5* G 1 2H5* G 1 0.733 -6.586 1.409 3 H4* G 1 H4* G 1 -0.714 -8.870 2.771 4 H3* G 1 H3* G 1 2.001 -7.643 3.305 5 H2* G 1 H2* G 1 2.778 -9.810 3.943 6 2HO* G 1 2HO* G 1 1.376 -11.510 4.274 7 H1* G 1 H1* G 1 1.616 -11.082 1.824 8 H8 G 1 H8 G 1 2.737 -7.801 0.436 9 H1 G 1 H1 G 1 7.626 -11.799 1.429 10 1H2 G 1 1H2 G 1 6.974 -13.520 2.652 11 2H2 G 1 2H2 G 1 5.326 -13.691 3.215 12 1H5* G 2 1H5* G 2 1.300 -10.088 6.706 13 2H5* G 2 2H5* G 2 1.907 -9.253 8.161 14 H4* G 2 H4* G 2 2.890 -11.548 7.714 15 H3* G 2 H3* G 2 4.769 -9.175 7.806 16 H2* G 2 H2* G 2 6.579 -10.726 7.667 17 2HO* G 2 2HO* G 2 6.205 -12.968 7.894 18 H1* G 2 H1* G 2 5.280 -12.356 5.801 19 H8 G 2 H8 G 2 4.592 -9.040 4.395 20 H1 G 2 H1 G 2 10.815 -10.442 3.950 21 1H2 G 2 1H2 G 2 11.308 -12.164 5.246 22 2H2 G 2 2H2 G 2 10.101 -12.978 6.216 23 1H5* A 3 1H5* A 3 6.506 -11.791 10.959 24 2H5* A 3 2H5* A 3 6.475 -10.711 12.380 25 H4* A 3 H4* A 3 8.655 -11.658 12.322 26 H3* A 3 H3* A 3 8.740 -8.911 11.049 27 H2* A 3 H2* A 3 11.146 -9.145 10.990 28 2HO* A 3 2HO* A 3 12.149 -10.880 11.990 29 H1* A 3 H1* A 3 11.003 -11.650 9.896 30 H8 A 3 H8 A 3 8.021 -9.808 8.536 31 1H6 A 3 1H6 A 3 11.863 -7.194 4.464 32 2H6 A 3 2H6 A 3 10.188 -7.440 4.902 33 H2 A 3 H2 A 3 14.317 -9.335 7.542 34 1H5* G 4 1H5* G 4 11.654 -8.566 13.969 35 2H5* G 4 2H5* G 4 11.480 -7.039 14.874 36 H4* G 4 H4* G 4 13.750 -7.271 14.004 37 H3* G 4 H3* G 4 12.143 -5.187 12.498 38 H2* G 4 H2* G 4 14.210 -4.585 11.413 39 2HO* G 4 2HO* G 4 15.617 -4.919 13.241 40 H1* G 4 H1* G 4 14.818 -7.199 10.856 41 H8 G 4 H8 G 4 11.100 -7.099 10.639 42 H1 G 4 H1 G 4 13.929 -4.237 5.675 43 1H2 G 4 1H2 G 4 16.078 -3.933 6.095 44 2H2 G 4 2H2 G 4 16.814 -4.452 7.592 45 1H5* G 5 1H5* G 5 15.439 -2.462 13.722 46 2H5* G 5 2H5* G 5 14.510 -1.040 14.263 47 H4* G 5 H4* G 5 16.225 -0.593 12.457 48 H3* G 5 H3* G 5 13.322 -0.017 11.794 49 H2* G 5 H2* G 5 14.116 1.005 9.771 50 2HO* G 5 2HO* G 5 16.371 1.246 9.431 51 H1* G 5 H1* G 5 15.878 -1.055 9.241 52 H8 G 5 H8 G 5 12.890 -2.776 10.675 53 H1 G 5 H1 G 5 11.855 -0.647 4.725 54 1H2 G 5 1H2 G 5 13.478 0.732 4.114 55 2H2 G 5 2H2 G 5 14.812 1.123 5.174 56 1H5* A 6 1H5* A 6 15.585 3.935 11.091 57 2H5* A 6 2H5* A 6 14.307 5.152 11.356 58 H4* A 6 H4* A 6 15.530 5.056 9.048 59 H3* A 6 H3* A 6 12.507 5.114 9.256 60 H2* A 6 H2* A 6 12.454 5.315 6.875 61 2HO* A 6 2HO* A 6 14.465 5.571 5.725 62 H1* A 6 H1* A 6 14.474 3.459 6.484 63 H8 A 6 H8 A 6 12.342 1.952 9.153 64 1H6 A 6 1H6 A 6 8.316 0.369 4.744 65 2H6 A 6 2H6 A 6 8.772 0.153 6.416 66 H2 A 6 H2 A 6 11.285 3.246 2.983 67 1H5* C 7 1H5* C 7 13.735 8.176 6.465 68 2H5* C 7 2H5* C 7 12.559 9.515 6.523 69 H4* C 7 H4* C 7 12.897 8.328 4.269 70 H3* C 7 H3* C 7 10.128 8.518 5.462 71 H2* C 7 H2* C 7 9.288 7.626 3.402 72 2HO* C 7 2HO* C 7 10.660 7.407 1.600 73 H1* C 7 H1* C 7 11.344 5.764 3.188 74 1H4 C 7 1H4 C 7 6.349 2.764 5.823 75 2H4 C 7 2H4 C 7 6.980 3.139 7.413 76 H5 C 7 H5 C 7 8.934 4.594 7.769 77 H6 C 7 H6 C 7 10.608 5.937 6.650 78 1H5* A 8 1H5* A 8 8.049 11.590 1.376 79 2H5* A 8 2H5* A 8 7.055 10.879 2.676 80 H4* A 8 H4* A 8 7.558 9.927 -0.082 81 H3* A 8 H3* A 8 5.340 9.670 1.945 82 H2* A 8 H2* A 8 4.562 7.649 0.915 83 2HO* A 8 2HO* A 8 5.565 6.898 -1.013 84 H1* A 8 H1* A 8 6.957 6.477 0.784 85 H8 A 8 H8 A 8 7.596 8.565 3.746 86 1H6 A 8 1H6 A 8 4.072 4.709 7.075 87 2H6 A 8 2H6 A 8 5.234 6.014 7.152 88 H2 A 8 H2 A 8 3.405 3.846 2.725 89 1H5* U 9 1H5* U 9 3.773 8.667 -1.163 90 2H5* U 9 2H5* U 9 2.390 9.516 -1.894 91 H4* U 9 H4* U 9 2.025 7.099 -1.811 92 H3* U 9 H3* U 9 0.220 8.963 -0.470 93 H2* U 9 H2* U 9 -0.329 7.620 1.321 94 2HO* U 9 2HO* U 9 -1.630 6.447 -0.321 95 H1* U 9 H1* U 9 1.302 5.298 0.787 96 H3 U 9 H3 U 9 1.002 5.439 5.322 97 H5 U 9 H5 U 9 3.348 8.773 4.284 98 H6 U 9 H6 U 9 2.856 8.322 1.970 99 1H5* U 10 1H5* U 10 -2.124 8.321 0.648 100 2H5* U 10 2H5* U 10 -3.649 8.810 -0.127 101 H4* U 10 H4* U 10 -3.230 11.105 0.343 102 H3* U 10 H3* U 10 -0.543 10.749 0.228 103 H2* U 10 H2* U 10 -0.460 9.488 2.246 104 2HO* U 10 2HO* U 10 0.021 12.204 2.872 105 H1* U 10 H1* U 10 -2.307 11.594 3.419 106 H3 U 10 H3 U 10 -3.594 9.278 7.216 107 H5 U 10 H5 U 10 -0.569 6.923 5.453 108 H6 U 10 H6 U 10 -0.626 8.401 3.554 109 1H5* C 11 1H5* C 11 -4.198 14.199 1.996 110 2H5* C 11 2H5* C 11 -3.442 12.602 2.220 111 H4* C 11 H4* C 11 -6.249 13.247 1.302 112 H3* C 11 H3* C 11 -5.155 12.175 3.810 113 H2* C 11 H2* C 11 -5.503 9.959 3.221 114 2HO* C 11 2HO* C 11 -7.446 10.421 4.452 115 H1* C 11 H1* C 11 -7.463 10.766 1.067 116 1H4 C 11 1H4 C 11 -5.827 5.265 -1.753 117 2H4 C 11 2H4 C 11 -4.836 4.823 -0.383 118 H5 C 11 H5 C 11 -4.446 6.325 1.521 119 H6 C 11 H6 C 11 -4.938 8.502 2.423 120 1H5* C 12 1H5* C 12 -9.459 11.374 3.802 121 2H5* C 12 2H5* C 12 -10.132 12.811 4.631 122 H4* C 12 H4* C 12 -11.576 10.964 5.018 123 H3* C 12 H3* C 12 -10.554 12.321 7.227 124 H2* C 12 H2* C 12 -8.948 10.614 7.738 125 2HO* C 12 2HO* C 12 -10.050 9.132 9.308 126 H1* C 12 H1* C 12 -11.074 8.556 7.013 127 1H4 C 12 1H4 C 12 -6.088 4.700 8.107 128 2H4 C 12 2H4 C 12 -5.282 5.355 6.701 129 H5 C 12 H5 C 12 -6.178 7.250 5.414 130 H6 C 12 H6 C 12 -7.992 8.823 5.263 131 1H5* U 13 1H5* U 13 -15.644 9.713 5.932 132 2H5* U 13 2H5* U 13 -14.217 9.397 6.949 133 H4* U 13 H4* U 13 -13.441 11.017 4.722 134 H3* U 13 H3* U 13 -15.501 9.494 3.720 135 H2* U 13 H2* U 13 -14.551 7.437 4.541 136 2HO* U 13 2HO* U 13 -14.849 7.406 2.164 137 H1* U 13 H1* U 13 -11.911 8.450 3.459 138 H3 U 13 H3 U 13 -9.265 5.195 5.272 139 H5 U 13 H5 U 13 -13.045 4.601 7.038 140 H6 U 13 H6 U 13 -13.807 6.550 5.943 141 1H5* C 14 1H5* C 14 -13.846 8.080 -1.300 142 2H5* C 14 2H5* C 14 -13.546 7.480 0.350 143 H4* C 14 H4* C 14 -11.400 8.743 -1.375 144 H3* C 14 H3* C 14 -12.124 5.819 -1.071 145 H2* C 14 H2* C 14 -9.797 5.284 -1.263 146 2HO* C 14 2HO* C 14 -9.304 8.058 -1.737 147 H1* C 14 H1* C 14 -8.978 7.322 0.407 148 1H4 C 14 1H4 C 14 -9.683 2.151 4.104 149 2H4 C 14 2H4 C 14 -11.329 2.640 4.449 150 H5 C 14 H5 C 14 -12.427 4.543 3.339 151 H6 C 14 H6 C 14 -12.113 6.285 1.704 152 1H5* A 15 1H5* A 15 -9.312 5.888 -3.975 153 2H5* A 15 2H5* A 15 -9.750 4.908 -5.395 154 H4* A 15 H4* A 15 -7.541 4.293 -4.463 155 H3* A 15 H3* A 15 -9.718 2.207 -4.215 156 H2* A 15 H2* A 15 -8.100 0.683 -3.298 157 2HO* A 15 2HO* A 15 -6.326 1.286 -4.684 158 H1* A 15 H1* A 15 -6.990 2.558 -1.625 159 H8 A 15 H8 A 15 -10.727 2.963 -2.150 160 1H6 A 15 1H6 A 15 -11.285 -0.817 2.796 161 2H6 A 15 2H6 A 15 -12.177 0.189 1.674 162 H2 A 15 H2 A 15 -6.945 -0.511 1.590 163 1H5* C 16 1H5* C 16 -6.686 0.151 -6.293 164 2H5* C 16 2H5* C 16 -7.367 -0.883 -7.580 165 H4* C 16 H4* C 16 -6.019 -2.178 -5.979 166 H3* C 16 H3* C 16 -8.995 -2.727 -5.841 167 H2* C 16 H2* C 16 -8.475 -4.532 -4.346 168 2HO* C 16 2HO* C 16 -6.300 -5.108 -3.962 169 H1* C 16 H1* C 16 -6.663 -3.017 -2.907 170 1H4 C 16 1H4 C 16 -12.164 -2.398 0.243 171 2H4 C 16 2H4 C 16 -12.685 -1.142 -0.860 172 H5 C 16 H5 C 16 -11.392 -0.492 -2.842 173 H6 C 16 H6 C 16 -9.384 -0.930 -4.109 174 1H5* G 17 1H5* G 17 -7.274 -6.477 -6.585 175 2H5* G 17 2H5* G 17 -8.158 -7.341 -7.871 176 H4* G 17 H4* G 17 -7.967 -8.800 -5.968 177 H3* G 17 H3* G 17 -10.747 -7.615 -6.165 178 H2* G 17 H2* G 17 -11.391 -9.057 -4.352 179 2HO* G 17 2HO* G 17 -9.911 -10.601 -3.549 180 H1* G 17 H1* G 17 -9.177 -8.434 -2.860 181 H8 G 17 H8 G 17 -10.167 -5.358 -4.839 182 H1 G 17 H1 G 17 -13.718 -6.270 0.403 183 1H2 G 17 1H2 G 17 -13.318 -8.269 1.264 184 2H2 G 17 2H2 G 17 -12.166 -9.374 0.548 185 1H5* G 18 1H5* G 18 -11.430 -11.727 -6.041 186 2H5* G 18 2H5* G 18 -12.769 -12.212 -7.117 187 H4* G 18 H4* G 18 -13.105 -12.862 -4.727 188 H3* G 18 H3* G 18 -15.055 -10.836 -5.855 189 H2* G 18 H2* G 18 -16.294 -11.034 -3.818 190 2HO* G 18 2HO* G 18 -16.057 -13.362 -3.629 191 H1* G 18 H1* G 18 -13.996 -11.104 -2.226 192 H8 G 18 H8 G 18 -13.462 -8.459 -4.848 193 H1 G 18 H1 G 18 -17.349 -6.547 -0.134 194 1H2 G 18 1H2 G 18 -17.936 -8.274 1.116 195 2H2 G 18 2H2 G 18 -17.370 -9.897 0.792 196 1H5* G 19 1H5* G 19 -17.500 -13.940 -4.218 197 2H5* G 19 2H5* G 19 -18.788 -14.302 -5.398 198 H4* G 19 H4* G 19 -19.666 -13.817 -3.124 199 H3* G 19 H3* G 19 -20.361 -11.781 -5.255 200 H2* G 19 H2* G 19 -21.819 -10.748 -3.643 201 2HO* G 19 2HO* G 19 -21.987 -11.743 -1.534 202 H1* G 19 H1* G 19 -19.928 -10.825 -1.666 203 H8 G 19 H8 G 19 -18.653 -10.306 -5.272 204 H1 G 19 H1 G 19 -19.937 -4.921 -2.070 205 1H2 G 19 1H2 G 19 -20.857 -5.391 -0.124 206 2H2 G 19 2H2 G 19 -21.152 -7.034 0.395 207 1H5* U 20 1H5* U 20 -22.370 -10.837 -7.596 208 2H5* U 20 2H5* U 20 -22.192 -11.035 -5.838 209 H4* U 20 H4* U 20 -24.551 -10.217 -7.438 210 H3* U 20 H3* U 20 -23.499 -9.670 -4.661 211 H2* U 20 H2* U 20 -25.671 -9.107 -3.905 212 2HO* U 20 2HO* U 20 -26.271 -7.936 -5.859 213 H1* U 20 H1* U 20 -26.958 -11.168 -5.172 214 H3 U 20 H3 U 20 -26.215 -11.503 -0.481 215 H5 U 20 H5 U 20 -23.780 -14.284 -2.489 216 H6 U 20 H6 U 20 -24.309 -13.134 -4.581 217 1H5* G 21 1H5* G 21 -25.677 -6.516 -4.674 218 2H5* G 21 2H5* G 21 -24.778 -5.071 -4.147 219 H4* G 21 H4* G 21 -26.665 -5.644 -2.638 220 H3* G 21 H3* G 21 -23.896 -5.921 -1.458 221 H2* G 21 H2* G 21 -24.945 -6.345 0.654 222 2HO* G 21 2HO* G 21 -27.166 -6.082 0.921 223 H1* G 21 H1* G 21 -26.776 -8.081 -0.379 224 H8 G 21 H8 G 21 -23.351 -8.319 -2.103 225 H1 G 21 H1 G 21 -23.954 -11.993 3.088 226 1H2 G 21 1H2 G 21 -25.857 -11.550 4.127 227 2H2 G 21 2H2 G 21 -26.977 -10.342 3.544 228 1H5* A 22 1H5* A 22 -26.276 -3.402 0.813 229 2H5* A 22 2H5* A 22 -25.478 -2.086 1.715 230 H4* A 22 H4* A 22 -26.764 -3.539 3.216 231 H3* A 22 H3* A 22 -23.759 -3.729 3.510 232 H2* A 22 H2* A 22 -24.082 -5.225 5.365 233 2HO* A 22 2HO* A 22 -25.949 -4.147 6.271 234 H1* A 22 H1* A 22 -25.967 -6.719 4.098 235 H8 A 22 H8 A 22 -23.462 -5.535 1.516 236 1H6 A 22 1H6 A 22 -20.043 -10.432 3.027 237 2H6 A 22 2H6 A 22 -20.240 -9.108 1.902 238 H2 A 22 H2 A 22 -23.366 -10.096 5.984 239 1H5* C 23 1H5* C 23 -21.466 -2.712 6.344 240 2H5* C 23 2H5* C 23 -22.236 -3.036 4.773 241 H4* C 23 H4* C 23 -22.042 -5.404 6.467 242 H3* C 23 H3* C 23 -19.506 -3.963 5.685 243 H2* C 23 H2* C 23 -18.500 -6.070 5.168 244 2HO* C 23 2HO* C 23 -19.594 -8.014 5.642 245 H1* C 23 H1* C 23 -20.639 -7.003 3.780 246 1H4 C 23 1H4 C 23 -17.109 -3.941 -0.552 247 2H4 C 23 2H4 C 23 -17.926 -2.438 -0.178 248 H5 C 23 H5 C 23 -19.544 -2.225 1.658 249 H6 C 23 H6 C 23 -20.680 -3.412 3.442 250 1H5* C 24 1H5* C 24 -18.574 -7.304 8.078 251 2H5* C 24 2H5* C 24 -17.139 -7.051 9.108 252 H4* C 24 H4* C 24 -16.972 -9.022 7.562 253 H3* C 24 H3* C 24 -15.000 -6.764 7.142 254 H2* C 24 H2* C 24 -13.883 -8.170 5.557 255 2HO* C 24 2HO* C 24 -14.550 -10.364 5.314 256 H1* C 24 H1* C 24 -16.257 -9.082 4.427 257 1H4 C 24 1H4 C 24 -14.364 -4.289 0.663 258 2H4 C 24 2H4 C 24 -15.034 -3.120 1.777 259 H5 C 24 H5 C 24 -15.994 -3.740 3.944 260 H6 C 24 H6 C 24 -16.493 -5.587 5.417 261 1H5* G 25 1H5* G 25 -12.609 -10.075 7.456 262 2H5* G 25 2H5* G 25 -11.380 -9.832 8.725 263 H4* G 25 H4* G 25 -10.221 -10.607 6.799 264 H3* G 25 H3* G 25 -9.975 -7.595 6.993 265 H2* G 25 H2* G 25 -8.487 -7.676 5.120 266 2HO* G 25 2HO* G 25 -7.854 -9.728 4.266 267 H1* G 25 H1* G 25 -10.072 -9.407 3.693 268 H8 G 25 H8 G 25 -12.305 -7.052 5.667 269 H1 G 25 H1 G 25 -10.005 -4.467 0.281 270 1H2 G 25 1H2 G 25 -8.448 -5.776 -0.586 271 2H2 G 25 2H2 G 25 -7.977 -7.287 0.158 272 1H5* U 26 1H5* U 26 -6.137 -8.703 6.465 273 2H5* U 26 2H5* U 26 -5.001 -7.751 7.459 274 H4* U 26 H4* U 26 -4.615 -7.579 4.983 275 H3* U 26 H3* U 26 -5.385 -5.036 6.434 276 H2* U 26 H2* U 26 -4.964 -3.856 4.395 277 2HO* U 26 2HO* U 26 -3.944 -4.896 2.644 278 H1* U 26 H1* U 26 -6.119 -5.837 2.796 279 H3 U 26 H3 U 26 -8.819 -2.188 2.413 280 H5 U 26 H5 U 26 -9.864 -3.903 6.117 281 H6 U 26 H6 U 26 -7.987 -5.414 5.871 282 1H5* G 27 1H5* G 27 -1.699 -4.943 4.266 283 2H5* G 27 2H5* G 27 -0.462 -3.831 4.904 284 H4* G 27 H4* G 27 -1.330 -3.715 2.388 285 H3* G 27 H3* G 27 0.177 -1.944 3.890 286 H2* G 27 H2* G 27 -1.676 -0.693 4.684 287 2HO* G 27 2HO* G 27 -1.892 1.188 3.363 288 H1* G 27 H1* G 27 -2.962 -0.865 1.945 289 H8 G 27 H8 G 27 -4.145 -1.925 5.456 290 H1 G 27 H1 G 27 -7.442 2.926 2.896 291 1H2 G 27 1H2 G 27 -6.518 3.568 0.996 292 2H2 G 27 2H2 G 27 -5.087 2.793 0.347 293 1H5* G 28 1H5* G 28 -0.161 -1.052 -1.079 294 2H5* G 28 2H5* G 28 0.554 -2.412 -1.973 295 H4* G 28 H4* G 28 1.404 -0.483 -3.014 296 H3* G 28 H3* G 28 3.400 -1.578 -1.036 297 H2* G 28 H2* G 28 4.907 0.191 -1.540 298 2HO* G 28 2HO* G 28 4.554 0.295 -3.814 299 H1* G 28 H1* G 28 3.072 2.156 -1.434 300 H8 G 28 H8 G 28 1.854 -0.289 1.140 301 H1 G 28 H1 G 28 6.879 3.121 3.145 302 1H2 G 28 1H2 G 28 7.779 4.226 1.453 303 2H2 G 28 2H2 G 28 7.148 4.116 -0.174 304 1H5* U 29 1H5* U 29 5.847 -1.414 -4.903 305 2H5* U 29 2H5* U 29 7.159 -2.596 -4.636 306 H4* U 29 H4* U 29 7.716 -0.048 -4.940 307 H3* U 29 H3* U 29 8.885 -1.731 -2.711 308 H2* U 29 H2* U 29 10.199 0.165 -2.096 309 2HO* U 29 2HO* U 29 10.398 1.950 -3.472 310 H1* U 29 H1* U 29 8.141 2.006 -2.653 311 H3 U 29 H3 U 29 9.333 1.837 1.902 312 H5 U 29 H5 U 29 6.231 -0.959 1.322 313 H6 U 29 H6 U 29 6.482 -0.646 -1.050 314 1H5* C 30 1H5* C 30 12.190 0.178 -4.375 315 2H5* C 30 2H5* C 30 13.599 -0.917 -4.391 316 H4* C 30 H4* C 30 13.937 1.203 -3.079 317 H3* C 30 H3* C 30 14.083 -1.430 -1.602 318 H2* C 30 H2* C 30 14.685 -0.251 0.374 319 2HO* C 30 2HO* C 30 15.209 2.004 0.248 320 H1* C 30 H1* C 30 12.959 1.900 -0.115 321 1H4 C 30 1H4 C 30 10.015 -1.843 4.154 322 2H4 C 30 2H4 C 30 9.289 -2.749 2.846 323 H5 C 30 H5 C 30 9.862 -2.390 0.490 324 H6 C 30 H6 C 30 11.229 -1.096 -1.024 325 1H5* C 31 1H5* C 31 17.917 0.289 -0.369 326 2H5* C 31 2H5* C 31 19.089 -0.944 -0.910 327 H4* C 31 H4* C 31 19.607 -0.501 1.369 328 H3* C 31 H3* C 31 17.901 -3.000 1.207 329 H2* C 31 H2* C 31 18.303 -3.292 3.558 330 2HO* C 31 2HO* C 31 19.688 -1.765 4.638 331 H1* C 31 H1* C 31 17.754 -0.659 4.132 332 1H4 C 31 1H4 C 31 12.090 -3.542 4.580 333 2H4 C 31 2H4 C 31 11.916 -3.537 2.841 334 H5 C 31 H5 C 31 13.676 -2.759 1.325 335 H6 C 31 H6 C 31 15.913 -1.855 1.224 336 1H5* U 32 1H5* U 32 20.925 -5.185 3.459 337 2H5* U 32 2H5* U 32 21.505 -6.220 2.133 338 H4* U 32 H4* U 32 21.055 -7.699 3.905 339 H3* U 32 H3* U 32 18.614 -7.657 2.116 340 H2* U 32 H2* U 32 17.751 -9.427 3.451 341 2HO* U 32 2HO* U 32 19.036 -10.370 5.088 342 H1* U 32 H1* U 32 18.392 -8.233 5.792 343 H3 U 32 H3 U 32 13.902 -8.184 4.706 344 H5 U 32 H5 U 32 15.488 -4.474 3.600 345 H6 U 32 H6 U 32 17.714 -5.388 3.946 346 1H5* C 33 1H5* C 33 19.687 -11.754 2.852 347 2H5* C 33 2H5* C 33 19.167 -12.768 1.484 348 H4* C 33 H4* C 33 18.194 -13.324 3.794 349 H3* C 33 H3* C 33 16.309 -12.737 1.496 350 H2* C 33 H2* C 33 14.535 -13.424 2.942 351 2HO* C 33 2HO* C 33 15.001 -14.291 5.008 352 H1* C 33 H1* C 33 15.487 -12.006 5.098 353 1H4 C 33 1H4 C 33 11.329 -8.215 2.062 354 2H4 C 33 2H4 C 33 12.649 -7.503 1.157 355 H5 C 33 H5 C 33 14.961 -8.350 1.274 356 H6 C 33 H6 C 33 16.379 -10.029 2.275 357 1H5* C 34 1H5* C 34 15.185 -16.408 3.479 358 2H5* C 34 2H5* C 34 14.581 -17.548 2.255 359 H4* C 34 H4* C 34 13.033 -17.066 4.220 360 H3* C 34 H3* C 34 12.068 -16.546 1.396 361 H2* C 34 H2* C 34 9.903 -16.088 2.306 362 2HO* C 34 2HO* C 34 10.041 -17.841 3.917 363 H1* C 34 H1* C 34 10.894 -14.622 4.452 364 1H4 C 34 1H4 C 34 9.367 -10.474 -0.189 365 2H4 C 34 2H4 C 34 11.032 -10.489 -0.728 366 H5 C 34 H5 C 34 12.721 -12.023 0.194 367 H6 C 34 H6 C 34 13.095 -13.793 1.790 Start of MODEL 20 1 1H5* G 1 1H5* G 1 -2.686 -7.955 2.356 2 2H5* G 1 2H5* G 1 -1.456 -8.379 1.166 3 H4* G 1 H4* G 1 -2.793 -10.322 3.063 4 H3* G 1 H3* G 1 -0.056 -9.031 3.152 5 H2* G 1 H2* G 1 0.771 -11.025 4.174 6 2HO* G 1 2HO* G 1 -0.623 -12.641 4.884 7 H1* G 1 H1* G 1 -0.521 -12.699 2.446 8 H8 G 1 H8 G 1 0.515 -9.753 0.377 9 H1 G 1 H1 G 1 5.427 -13.605 1.762 10 1H2 G 1 1H2 G 1 4.845 -15.056 3.322 11 2H2 G 1 2H2 G 1 3.238 -15.088 4.015 12 1H5* G 2 1H5* G 2 -0.566 -10.591 7.192 13 2H5* G 2 2H5* G 2 0.276 -9.471 8.297 14 H4* G 2 H4* G 2 1.061 -11.915 8.272 15 H3* G 2 H3* G 2 3.045 -9.686 7.743 16 H2* G 2 H2* G 2 4.767 -11.341 7.769 17 2HO* G 2 2HO* G 2 4.306 -13.479 8.439 18 H1* G 2 H1* G 2 3.260 -13.206 6.348 19 H8 G 2 H8 G 2 2.540 -10.165 4.425 20 H1 G 2 H1 G 2 8.650 -11.900 3.703 21 1H2 G 2 1H2 G 2 9.218 -13.380 5.244 22 2H2 G 2 2H2 G 2 8.086 -13.951 6.451 23 1H5* A 3 1H5* A 3 4.867 -11.791 11.270 24 2H5* A 3 2H5* A 3 5.147 -10.439 12.400 25 H4* A 3 H4* A 3 7.168 -11.757 12.247 26 H3* A 3 H3* A 3 7.398 -9.178 10.676 27 H2* A 3 H2* A 3 9.728 -9.713 10.344 28 2HO* A 3 2HO* A 3 10.577 -11.622 11.326 29 H1* A 3 H1* A 3 9.178 -12.278 9.578 30 H8 A 3 H8 A 3 6.245 -10.284 8.353 31 1H6 A 3 1H6 A 3 9.770 -8.512 3.597 32 2H6 A 3 2H6 A 3 8.147 -8.552 4.246 33 H2 A 3 H2 A 3 12.389 -10.543 6.624 34 1H5* G 4 1H5* G 4 10.695 -9.051 13.215 35 2H5* G 4 2H5* G 4 10.903 -7.439 13.941 36 H4* G 4 H4* G 4 12.962 -8.201 12.837 37 H3* G 4 H3* G 4 11.572 -5.926 11.396 38 H2* G 4 H2* G 4 13.496 -5.814 9.956 39 2HO* G 4 2HO* G 4 15.125 -6.274 11.533 40 H1* G 4 H1* G 4 13.544 -8.522 9.558 41 H8 G 4 H8 G 4 9.911 -7.707 9.898 42 H1 G 4 H1 G 4 12.326 -5.878 4.273 43 1H2 G 4 1H2 G 4 14.535 -5.983 4.318 44 2H2 G 4 2H2 G 4 15.410 -6.517 5.734 45 1H5* G 5 1H5* G 5 15.553 -4.055 11.982 46 2H5* G 5 2H5* G 5 15.139 -2.399 12.499 47 H4* G 5 H4* G 5 16.644 -2.536 10.482 48 H3* G 5 H3* G 5 13.935 -1.225 10.127 49 H2* G 5 H2* G 5 14.623 -0.610 7.910 50 2HO* G 5 2HO* G 5 16.777 -1.037 7.234 51 H1* G 5 H1* G 5 15.654 -3.095 7.349 52 H8 G 5 H8 G 5 12.672 -3.897 9.439 53 H1 G 5 H1 G 5 11.032 -1.880 3.595 54 1H2 G 5 1H2 G 5 12.785 -1.011 2.560 55 2H2 G 5 2H2 G 5 14.358 -0.919 3.319 56 1H5* A 6 1H5* A 6 17.051 1.707 8.725 57 2H5* A 6 2H5* A 6 16.359 3.324 9.027 58 H4* A 6 H4* A 6 17.063 2.678 6.602 59 H3* A 6 H3* A 6 14.330 3.830 7.222 60 H2* A 6 H2* A 6 13.931 3.901 4.867 61 2HO* A 6 2HO* A 6 15.630 3.423 3.401 62 H1* A 6 H1* A 6 15.043 1.421 4.404 63 H8 A 6 H8 A 6 13.071 1.095 7.589 64 1H6 A 6 1H6 A 6 8.011 0.570 4.081 65 2H6 A 6 2H6 A 6 8.662 0.403 5.693 66 H2 A 6 H2 A 6 11.405 1.891 1.463 67 1H5* C 7 1H5* C 7 15.910 5.958 3.946 68 2H5* C 7 2H5* C 7 15.386 7.661 3.994 69 H4* C 7 H4* C 7 14.734 6.341 1.917 70 H3* C 7 H3* C 7 12.556 7.589 3.596 71 H2* C 7 H2* C 7 10.993 6.962 1.888 72 2HO* C 7 2HO* C 7 11.749 6.140 -0.106 73 H1* C 7 H1* C 7 12.161 4.462 1.514 74 1H4 C 7 1H4 C 7 7.257 3.624 5.518 75 2H4 C 7 2H4 C 7 8.329 3.882 6.878 76 H5 C 7 H5 C 7 10.674 4.584 6.617 77 H6 C 7 H6 C 7 12.382 5.153 4.999 78 1H5* A 8 1H5* A 8 10.230 11.324 1.096 79 2H5* A 8 2H5* A 8 9.676 10.132 2.302 80 H4* A 8 H4* A 8 9.337 10.031 -0.705 81 H3* A 8 H3* A 8 7.462 10.460 1.593 82 H2* A 8 H2* A 8 5.810 8.968 0.762 83 2HO* A 8 2HO* A 8 6.016 8.078 -1.354 84 H1* A 8 H1* A 8 7.436 6.971 0.082 85 H8 A 8 H8 A 8 9.587 7.906 2.792 86 1H6 A 8 1H6 A 8 5.301 6.165 6.902 87 2H6 A 8 2H6 A 8 6.984 6.582 6.674 88 H2 A 8 H2 A 8 3.343 6.519 2.892 89 1H5* U 9 1H5* U 9 4.856 10.159 -0.650 90 2H5* U 9 2H5* U 9 4.097 11.662 -1.239 91 H4* U 9 H4* U 9 2.352 10.130 -0.709 92 H3* U 9 H3* U 9 2.676 12.475 1.047 93 H2* U 9 H2* U 9 1.819 11.591 2.922 94 2HO* U 9 2HO* U 9 -0.071 10.175 1.348 95 H1* U 9 H1* U 9 1.633 8.793 2.277 96 H3 U 9 H3 U 9 2.869 9.125 6.635 97 H5 U 9 H5 U 9 6.322 10.041 4.439 98 H6 U 9 H6 U 9 5.021 10.036 2.454 99 1H5* U 10 1H5* U 10 0.460 15.552 1.770 100 2H5* U 10 2H5* U 10 0.560 14.714 3.336 101 H4* U 10 H4* U 10 -2.009 15.279 1.827 102 H3* U 10 H3* U 10 -0.863 17.357 2.939 103 H2* U 10 H2* U 10 -0.040 16.321 4.917 104 2HO* U 10 2HO* U 10 -1.354 18.064 5.648 105 H1* U 10 H1* U 10 -2.489 14.828 5.680 106 H3 U 10 H3 U 10 1.518 13.467 7.977 107 H5 U 10 H5 U 10 0.950 11.210 4.454 108 H6 U 10 H6 U 10 -0.734 12.693 3.838 109 1H5* C 11 1H5* C 11 -6.035 18.205 3.640 110 2H5* C 11 2H5* C 11 -5.220 16.627 3.825 111 H4* C 11 H4* C 11 -7.744 17.300 2.314 112 H3* C 11 H3* C 11 -7.526 16.141 4.795 113 H2* C 11 H2* C 11 -6.176 14.318 4.048 114 2HO* C 11 2HO* C 11 -8.841 13.391 3.741 115 H1* C 11 H1* C 11 -8.020 14.027 1.663 116 1H4 C 11 1H4 C 11 -3.508 10.162 -0.602 117 2H4 C 11 2H4 C 11 -2.324 10.778 0.527 118 H5 C 11 H5 C 11 -2.824 12.565 2.128 119 H6 C 11 H6 C 11 -4.523 14.081 2.926 120 1H5* C 12 1H5* C 12 -10.608 12.662 3.772 121 2H5* C 12 2H5* C 12 -11.816 13.969 3.634 122 H4* C 12 H4* C 12 -12.910 12.037 4.554 123 H3* C 12 H3* C 12 -13.161 14.392 5.877 124 H2* C 12 H2* C 12 -11.259 14.050 7.299 125 2HO* C 12 2HO* C 12 -13.444 12.958 8.754 126 H1* C 12 H1* C 12 -12.179 11.224 7.877 127 1H4 C 12 1H4 C 12 -6.349 11.152 10.480 128 2H4 C 12 2H4 C 12 -5.624 11.546 8.941 129 H5 C 12 H5 C 12 -6.949 12.045 6.929 130 H6 C 12 H6 C 12 -9.193 12.250 6.059 131 1H5* U 13 1H5* U 13 -15.983 9.403 5.630 132 2H5* U 13 2H5* U 13 -14.569 10.355 6.144 133 H4* U 13 H4* U 13 -14.754 11.092 3.556 134 H3* U 13 H3* U 13 -16.536 9.172 3.211 135 H2* U 13 H2* U 13 -15.320 7.646 4.690 136 2HO* U 13 2HO* U 13 -14.665 6.867 2.030 137 H1* U 13 H1* U 13 -12.920 8.062 2.904 138 H3 U 13 H3 U 13 -11.046 4.808 5.602 139 H5 U 13 H5 U 13 -11.956 8.043 8.158 140 H6 U 13 H6 U 13 -13.110 9.074 6.341 141 1H5* C 14 1H5* C 14 -12.768 10.597 1.888 142 2H5* C 14 2H5* C 14 -12.709 12.259 1.253 143 H4* C 14 H4* C 14 -11.393 11.505 -0.669 144 H3* C 14 H3* C 14 -11.749 8.744 0.509 145 H2* C 14 H2* C 14 -9.533 8.147 -0.135 146 2HO* C 14 2HO* C 14 -8.289 9.744 -1.381 147 H1* C 14 H1* C 14 -8.371 10.487 0.630 148 1H4 C 14 1H4 C 14 -8.059 6.458 5.596 149 2H4 C 14 2H4 C 14 -9.389 7.323 6.317 150 H5 C 14 H5 C 14 -10.616 9.084 5.144 151 H6 C 14 H6 C 14 -10.808 10.299 3.073 152 1H5* A 15 1H5* A 15 -9.537 7.922 -2.935 153 2H5* A 15 2H5* A 15 -10.275 6.504 -3.714 154 H4* A 15 H4* A 15 -7.779 6.411 -2.877 155 H3* A 15 H3* A 15 -9.833 4.242 -2.455 156 H2* A 15 H2* A 15 -8.239 2.915 -1.241 157 2HO* A 15 2HO* A 15 -6.049 3.571 -1.143 158 H1* A 15 H1* A 15 -7.324 4.962 0.290 159 H8 A 15 H8 A 15 -10.962 5.183 -0.762 160 1H6 A 15 1H6 A 15 -12.189 2.328 4.641 161 2H6 A 15 2H6 A 15 -12.920 3.102 3.251 162 H2 A 15 H2 A 15 -7.734 2.526 4.017 163 1H5* C 16 1H5* C 16 -6.430 2.289 -4.058 164 2H5* C 16 2H5* C 16 -6.868 0.979 -5.189 165 H4* C 16 H4* C 16 -5.447 0.307 -3.197 166 H3* C 16 H3* C 16 -8.144 -1.000 -3.613 167 H2* C 16 H2* C 16 -7.631 -2.462 -1.784 168 2HO* C 16 2HO* C 16 -5.036 -1.248 -1.844 169 H1* C 16 H1* C 16 -6.663 -0.435 -0.195 170 1H4 C 16 1H4 C 16 -12.899 -1.125 1.114 171 2H4 C 16 2H4 C 16 -13.222 0.286 0.131 172 H5 C 16 H5 C 16 -11.498 1.384 -1.226 173 H6 C 16 H6 C 16 -9.175 1.321 -1.875 174 1H5* G 17 1H5* G 17 -5.166 -3.936 -3.105 175 2H5* G 17 2H5* G 17 -5.335 -5.267 -4.277 176 H4* G 17 H4* G 17 -5.077 -6.092 -1.969 177 H3* G 17 H3* G 17 -7.796 -6.553 -3.212 178 H2* G 17 H2* G 17 -8.397 -7.825 -1.262 179 2HO* G 17 2HO* G 17 -6.835 -8.299 0.321 180 H1* G 17 H1* G 17 -7.392 -5.965 0.484 181 H8 G 17 H8 G 17 -8.737 -3.979 -2.410 182 H1 G 17 H1 G 17 -13.343 -6.148 1.460 183 1H2 G 17 1H2 G 17 -12.522 -7.645 2.867 184 2H2 G 17 2H2 G 17 -10.833 -8.099 2.858 185 1H5* G 18 1H5* G 18 -6.713 -10.212 -1.780 186 2H5* G 18 2H5* G 18 -7.035 -11.526 -2.942 187 H4* G 18 H4* G 18 -8.092 -11.894 -0.719 188 H3* G 18 H3* G 18 -9.985 -11.455 -3.040 189 H2* G 18 H2* G 18 -11.788 -11.977 -1.566 190 2HO* G 18 2HO* G 18 -10.745 -13.770 -0.505 191 H1* G 18 H1* G 18 -10.648 -10.604 0.602 192 H8 G 18 H8 G 18 -10.311 -8.514 -2.531 193 H1 G 18 H1 G 18 -16.126 -8.177 0.132 194 1H2 G 18 1H2 G 18 -16.332 -9.715 1.706 195 2H2 G 18 2H2 G 18 -15.040 -10.827 2.100 196 1H5* G 19 1H5* G 19 -12.229 -15.595 -4.802 197 2H5* G 19 2H5* G 19 -12.449 -13.848 -5.093 198 H4* G 19 H4* G 19 -13.820 -15.525 -2.968 199 H3* G 19 H3* G 19 -14.843 -14.192 -5.487 200 H2* G 19 H2* G 19 -16.961 -13.920 -4.403 201 2HO* G 19 2HO* G 19 -17.185 -14.798 -2.222 202 H1* G 19 H1* G 19 -15.844 -13.040 -2.047 203 H8 G 19 H8 G 19 -14.263 -12.083 -5.467 204 H1 G 19 H1 G 19 -18.237 -7.741 -2.961 205 1H2 G 19 1H2 G 19 -19.159 -8.525 -1.124 206 2H2 G 19 2H2 G 19 -18.795 -10.118 -0.502 207 1H5* U 20 1H5* U 20 -16.496 -14.688 -8.145 208 2H5* U 20 2H5* U 20 -16.798 -14.987 -6.417 209 H4* U 20 H4* U 20 -18.309 -16.125 -8.782 210 H3* U 20 H3* U 20 -19.119 -14.365 -6.452 211 H2* U 20 H2* U 20 -21.318 -15.253 -6.631 212 2HO* U 20 2HO* U 20 -21.882 -16.548 -8.473 213 H1* U 20 H1* U 20 -20.424 -17.850 -7.268 214 H3 U 20 H3 U 20 -22.131 -18.882 -3.262 215 H5 U 20 H5 U 20 -19.282 -15.937 -2.318 216 H6 U 20 H6 U 20 -18.852 -15.681 -4.698 217 1H5* G 21 1H5* G 21 -20.729 -10.233 -6.230 218 2H5* G 21 2H5* G 21 -19.797 -11.454 -5.320 219 H4* G 21 H4* G 21 -22.813 -11.446 -5.635 220 H3* G 21 H3* G 21 -21.065 -10.490 -3.364 221 H2* G 21 H2* G 21 -22.686 -11.300 -1.808 222 2HO* G 21 2HO* G 21 -24.584 -10.702 -2.990 223 H1* G 21 H1* G 21 -23.033 -13.682 -3.028 224 H8 G 21 H8 G 21 -19.438 -12.390 -3.368 225 H1 G 21 H1 G 21 -20.541 -15.784 1.933 226 1H2 G 21 1H2 G 21 -22.701 -16.221 2.129 227 2H2 G 21 2H2 G 21 -23.872 -15.672 0.953 228 1H5* A 22 1H5* A 22 -24.864 -8.439 -2.619 229 2H5* A 22 2H5* A 22 -24.636 -7.082 -1.483 230 H4* A 22 H4* A 22 -25.978 -9.066 -0.617 231 H3* A 22 H3* A 22 -23.467 -8.249 0.856 232 H2* A 22 H2* A 22 -24.101 -9.827 2.569 233 2HO* A 22 2HO* A 22 -26.420 -9.466 2.391 234 H1* A 22 H1* A 22 -24.589 -11.796 0.727 235 H8 A 22 H8 A 22 -21.787 -9.898 -0.821 236 1H6 A 22 1H6 A 22 -17.900 -12.745 3.020 237 2H6 A 22 2H6 A 22 -18.036 -11.745 1.592 238 H2 A 22 H2 A 22 -22.060 -13.532 4.427 239 1H5* C 23 1H5* C 23 -24.591 -7.886 3.511 240 2H5* C 23 2H5* C 23 -24.069 -6.645 4.675 241 H4* C 23 H4* C 23 -22.832 -8.878 4.722 242 H3* C 23 H3* C 23 -21.265 -6.332 4.264 243 H2* C 23 H2* C 23 -19.276 -7.655 4.485 244 2HO* C 23 2HO* C 23 -19.403 -9.823 5.150 245 H1* C 23 H1* C 23 -20.275 -9.707 2.909 246 1H4 C 23 1H4 C 23 -16.906 -5.909 -0.963 247 2H4 C 23 2H4 C 23 -18.336 -4.945 -1.269 248 H5 C 23 H5 C 23 -20.459 -5.296 -0.079 249 H6 C 23 H6 C 23 -21.590 -6.641 1.590 250 1H5* C 24 1H5* C 24 -19.686 -8.342 7.659 251 2H5* C 24 2H5* C 24 -19.044 -7.208 8.877 252 H4* C 24 H4* C 24 -17.381 -8.904 8.110 253 H3* C 24 H3* C 24 -16.758 -6.029 7.385 254 H2* C 24 H2* C 24 -14.608 -6.814 6.666 255 2HO* C 24 2HO* C 24 -15.383 -9.350 7.747 256 H1* C 24 H1* C 24 -15.676 -9.067 5.423 257 1H4 C 24 1H4 C 24 -15.009 -4.734 0.788 258 2H4 C 24 2H4 C 24 -16.464 -3.912 1.304 259 H5 C 24 H5 C 24 -17.725 -4.568 3.306 260 H6 C 24 H6 C 24 -17.815 -6.118 5.152 261 1H5* G 25 1H5* G 25 -13.603 -7.758 9.649 262 2H5* G 25 2H5* G 25 -12.718 -6.582 10.653 263 H4* G 25 H4* G 25 -11.301 -7.943 9.062 264 H3* G 25 H3* G 25 -11.325 -4.932 8.750 265 H2* G 25 H2* G 25 -9.594 -5.186 7.110 266 2HO* G 25 2HO* G 25 -8.711 -7.274 6.708 267 H1* G 25 H1* G 25 -10.864 -7.242 5.824 268 H8 G 25 H8 G 25 -13.716 -5.096 6.884 269 H1 G 25 H1 G 25 -10.350 -2.429 2.131 270 1H2 G 25 1H2 G 25 -8.434 -3.504 1.866 271 2H2 G 25 2H2 G 25 -7.986 -4.875 2.854 272 1H5* U 26 1H5* U 26 -7.429 -5.776 8.684 273 2H5* U 26 2H5* U 26 -6.431 -4.590 9.566 274 H4* U 26 H4* U 26 -6.005 -4.880 7.043 275 H3* U 26 H3* U 26 -6.563 -2.160 8.239 276 H2* U 26 H2* U 26 -6.192 -1.185 6.097 277 2HO* U 26 2HO* U 26 -5.277 -2.384 4.408 278 H1* U 26 H1* U 26 -7.503 -3.203 4.697 279 H3 U 26 H3 U 26 -9.613 0.994 4.664 280 H5 U 26 H5 U 26 -11.527 -1.417 7.546 281 H6 U 26 H6 U 26 -9.714 -3.004 7.328 282 1H5* G 27 1H5* G 27 -2.922 -2.642 5.932 283 2H5* G 27 2H5* G 27 -1.638 -1.442 6.231 284 H4* G 27 H4* G 27 -3.099 -1.828 3.864 285 H3* G 27 H3* G 27 -0.792 -0.486 4.428 286 H2* G 27 H2* G 27 -1.891 1.367 5.472 287 2HO* G 27 2HO* G 27 -0.588 2.288 3.884 288 H1* G 27 H1* G 27 -3.876 1.385 3.185 289 H8 G 27 H8 G 27 -4.076 1.312 7.049 290 H1 G 27 H1 G 27 -6.846 6.359 4.269 291 1H2 G 27 1H2 G 27 -6.506 6.320 2.084 292 2H2 G 27 2H2 G 27 -5.609 5.032 1.309 293 1H5* G 28 1H5* G 28 -1.763 2.699 0.201 294 2H5* G 28 2H5* G 28 -1.502 1.053 -0.428 295 H4* G 28 H4* G 28 -0.355 2.659 -1.834 296 H3* G 28 H3* G 28 1.484 1.007 -0.104 297 H2* G 28 H2* G 28 3.359 2.086 -1.101 298 2HO* G 28 2HO* G 28 3.074 3.518 -2.847 299 H1* G 28 H1* G 28 2.359 4.576 -0.849 300 H8 G 28 H8 G 28 0.967 2.804 2.149 301 H1 G 28 H1 G 28 7.161 4.244 2.766 302 1H2 G 28 1H2 G 28 7.996 4.878 0.824 303 2H2 G 28 2H2 G 28 7.025 4.950 -0.629 304 1H5* U 29 1H5* U 29 2.836 0.523 -4.182 305 2H5* U 29 2H5* U 29 3.449 -1.130 -4.468 306 H4* U 29 H4* U 29 5.084 0.684 -5.019 307 H3* U 29 H3* U 29 5.834 -1.191 -2.762 308 H2* U 29 H2* U 29 7.961 -0.136 -2.729 309 2HO* U 29 2HO* U 29 7.156 1.111 -5.173 310 H1* U 29 H1* U 29 6.920 2.412 -3.235 311 H3 U 29 H3 U 29 8.926 2.170 0.987 312 H5 U 29 H5 U 29 4.966 0.810 1.483 313 H6 U 29 H6 U 29 4.731 0.824 -0.914 314 1H5* C 30 1H5* C 30 9.131 -1.125 -5.442 315 2H5* C 30 2H5* C 30 10.017 -2.672 -5.363 316 H4* C 30 H4* C 30 11.232 -0.482 -4.647 317 H3* C 30 H3* C 30 11.209 -2.977 -2.943 318 H2* C 30 H2* C 30 12.632 -1.880 -1.378 319 2HO* C 30 2HO* C 30 13.611 0.121 -1.903 320 H1* C 30 H1* C 30 11.344 0.576 -1.572 321 1H4 C 30 1H4 C 30 9.059 -2.502 3.589 322 2H4 C 30 2H4 C 30 7.631 -2.887 2.657 323 H5 C 30 H5 C 30 7.434 -2.423 0.263 324 H6 C 30 H6 C 30 8.574 -1.520 -1.661 325 1H5* C 31 1H5* C 31 15.239 -2.022 -2.790 326 2H5* C 31 2H5* C 31 16.136 -3.398 -3.487 327 H4* C 31 H4* C 31 17.184 -2.895 -1.408 328 H3* C 31 H3* C 31 15.296 -5.239 -1.077 329 H2* C 31 H2* C 31 16.091 -5.469 1.173 330 2HO* C 31 2HO* C 31 17.798 -4.080 1.903 331 H1* C 31 H1* C 31 15.910 -2.788 1.704 332 1H4 C 31 1H4 C 31 10.232 -5.207 3.314 333 2H4 C 31 2H4 C 31 9.658 -4.974 1.680 334 H5 C 31 H5 C 31 11.112 -4.217 -0.146 335 H6 C 31 H6 C 31 13.364 -3.551 -0.706 336 1H5* U 32 1H5* U 32 18.236 -6.893 0.989 337 2H5* U 32 2H5* U 32 18.871 -8.221 -0.012 338 H4* U 32 H4* U 32 18.569 -9.184 2.105 339 H3* U 32 H3* U 32 16.086 -9.762 0.479 340 H2* U 32 H2* U 32 15.329 -11.108 2.284 341 2HO* U 32 2HO* U 32 16.694 -11.499 4.080 342 H1* U 32 H1* U 32 15.953 -9.301 4.187 343 H3 U 32 H3 U 32 11.466 -9.391 3.676 344 H5 U 32 H5 U 32 12.801 -6.662 0.793 345 H6 U 32 H6 U 32 15.100 -7.364 1.286 346 1H5* C 33 1H5* C 33 17.407 -13.388 2.318 347 2H5* C 33 2H5* C 33 16.963 -14.791 1.313 348 H4* C 33 H4* C 33 16.035 -14.809 3.665 349 H3* C 33 H3* C 33 14.039 -14.778 1.386 350 H2* C 33 H2* C 33 12.349 -15.153 3.033 351 2HO* C 33 2HO* C 33 14.514 -15.432 4.883 352 H1* C 33 H1* C 33 13.371 -13.288 4.778 353 1H4 C 33 1H4 C 33 8.964 -10.266 1.277 354 2H4 C 33 2H4 C 33 10.167 -9.892 0.061 355 H5 C 33 H5 C 33 12.473 -10.755 0.152 356 H6 C 33 H6 C 33 13.999 -12.134 1.420 357 1H5* C 34 1H5* C 34 13.032 -17.923 4.144 358 2H5* C 34 2H5* C 34 12.435 -19.313 3.211 359 H4* C 34 H4* C 34 10.888 -18.485 5.029 360 H3* C 34 H3* C 34 9.892 -18.446 2.169 361 H2* C 34 H2* C 34 7.740 -17.835 3.014 362 2HO* C 34 2HO* C 34 7.363 -17.852 5.292 363 H1* C 34 H1* C 34 8.771 -16.061 4.904 364 1H4 C 34 1H4 C 34 7.104 -12.588 -0.200 365 2H4 C 34 2H4 C 34 8.715 -12.784 -0.858 366 H5 C 34 H5 C 34 10.409 -14.248 0.167 367 H6 C 34 H6 C 34 10.842 -15.763 1.996
Contact the webmaster for help, if required. Friday, July 5, 2024 1:29:14 AM GMT (wattos1)