NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11388 | 1rfr | 6042 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 1H5* G 1 -11.237 -21.146 7.417 2 2H5* G 1 2H5* G 1 -10.614 -22.083 6.047 3 H4* G 1 H4* G 1 -9.353 -22.139 8.660 4 H3* G 1 H3* G 1 -8.767 -20.412 6.260 5 H2* G 1 H2* G 1 -6.441 -20.489 6.899 6 2HO* G 1 2HO* G 1 -7.162 -20.448 9.234 7 H1* G 1 H1* G 1 -6.425 -23.165 7.393 8 H8 G 1 H8 G 1 -8.708 -22.683 4.401 9 H1 G 1 H1 G 1 -2.470 -22.099 2.962 10 1H2 G 1 1H2 G 1 -1.265 -21.962 4.894 11 2H2 G 1 2H2 G 1 -2.049 -22.080 6.465 12 1H5* G 2 1H5* G 2 -6.427 -18.731 9.432 13 2H5* G 2 2H5* G 2 -6.384 -16.968 9.290 14 H4* G 2 H4* G 2 -4.099 -18.080 9.177 15 H3* G 2 H3* G 2 -4.986 -16.512 6.746 16 H2* G 2 H2* G 2 -2.702 -16.804 6.065 17 2HO* G 2 2HO* G 2 -1.936 -16.517 8.312 18 H1* G 2 H1* G 2 -2.584 -19.460 6.834 19 H8 G 2 H8 G 2 -5.900 -19.005 5.102 20 H1 G 2 H1 G 2 -0.850 -18.682 1.105 21 1H2 G 2 1H2 G 2 1.034 -18.614 2.279 22 2H2 G 2 2H2 G 2 1.032 -18.704 4.036 23 1H5* C 3 1H5* C 3 -1.428 -14.890 8.557 24 2H5* C 3 2H5* C 3 -1.142 -13.184 8.246 25 H4* C 3 H4* C 3 0.561 -14.951 7.407 26 H3* C 3 H3* C 3 -0.549 -12.865 5.464 27 H2* C 3 H2* C 3 0.891 -13.787 3.776 28 2HO* C 3 2HO* C 3 2.559 -14.092 5.513 29 H1* C 3 H1* C 3 0.384 -16.393 4.398 30 1H4 C 3 1H4 C 3 -3.680 -15.525 -0.324 31 2H4 C 3 2H4 C 3 -4.932 -15.033 0.797 32 H5 C 3 H5 C 3 -4.448 -14.569 3.214 33 H6 C 3 H6 C 3 -2.735 -14.630 4.887 34 1H5* A 4 1H5* A 4 1.257 -8.726 5.489 35 2H5* A 4 2H5* A 4 -0.198 -9.091 4.559 36 H4* A 4 H4* A 4 2.509 -10.484 4.379 37 H3* A 4 H3* A 4 0.795 -8.793 2.527 38 H2* A 4 H2* A 4 1.653 -10.000 0.658 39 2HO* A 4 2HO* A 4 3.804 -9.969 1.867 40 H1* A 4 H1* A 4 1.577 -12.480 1.865 41 H8 A 4 H8 A 4 -1.594 -11.074 3.117 42 1H6 A 4 1H6 A 4 -4.195 -12.738 -2.222 43 2H6 A 4 2H6 A 4 -4.426 -12.208 -0.564 44 H2 A 4 H2 A 4 0.280 -12.813 -2.788 45 1H5* C 5 1H5* C 5 4.557 -7.874 0.647 46 2H5* C 5 2H5* C 5 4.501 -6.183 0.107 47 H4* C 5 H4* C 5 4.578 -7.839 -1.772 48 H3* C 5 H3* C 5 2.042 -6.180 -1.571 49 H2* C 5 H2* C 5 1.393 -7.228 -3.637 50 2HO* C 5 2HO* C 5 3.753 -7.119 -4.296 51 H1* C 5 H1* C 5 2.203 -9.751 -2.911 52 1H4 C 5 1H4 C 5 -4.082 -9.350 -1.900 53 2H4 C 5 2H4 C 5 -3.842 -8.592 -0.340 54 H5 C 5 H5 C 5 -1.566 -7.947 0.496 55 H6 C 5 H6 C 5 0.769 -7.922 -0.060 56 1H5* U 6 1H5* U 6 2.973 -5.780 -5.647 57 2H5* U 6 2H5* U 6 2.612 -4.171 -6.277 58 H4* U 6 H4* U 6 1.332 -6.082 -7.335 59 H3* U 6 H3* U 6 -0.241 -3.850 -6.036 60 H2* U 6 H2* U 6 -2.256 -4.951 -6.689 61 2HO* U 6 2HO* U 6 -1.150 -5.565 -8.751 62 H1* U 6 H1* U 6 -1.460 -7.458 -6.014 63 H3 U 6 H3 U 6 -4.687 -6.222 -3.026 64 H5 U 6 H5 U 6 -1.005 -5.125 -1.306 65 H6 U 6 H6 U 6 0.043 -5.503 -3.409 66 1H5* C 7 1H5* C 7 -0.909 -3.179 -10.401 67 2H5* C 7 2H5* C 7 -1.096 -1.474 -10.856 68 H4* C 7 H4* C 7 -3.312 -2.702 -10.492 69 H3* C 7 H3* C 7 -2.636 -0.404 -8.628 70 H2* C 7 H2* C 7 -4.807 -0.665 -7.740 71 2HO* C 7 2HO* C 7 -5.950 -0.749 -9.685 72 H1* C 7 H1* C 7 -4.860 -3.480 -8.193 73 1H4 C 7 1H4 C 7 -4.742 -2.857 -1.924 74 2H4 C 7 2H4 C 7 -2.996 -2.681 -1.858 75 H5 C 7 H5 C 7 -1.638 -2.509 -4.048 76 H6 C 7 H6 C 7 -1.861 -2.415 -6.428 77 1H5* U 8 1H5* U 8 -6.482 0.153 -11.381 78 2H5* U 8 2H5* U 8 -6.624 1.906 -11.614 79 H4* U 8 H4* U 8 -8.783 0.845 -10.964 80 H3* U 8 H3* U 8 -7.582 2.811 -8.988 81 H2* U 8 H2* U 8 -9.660 2.613 -7.784 82 2HO* U 8 2HO* U 8 -10.821 2.531 -9.890 83 H1* U 8 H1* U 8 -9.829 -0.126 -8.064 84 H3 U 8 H3 U 8 -9.038 0.479 -3.612 85 H5 U 8 H5 U 8 -5.266 0.854 -5.450 86 H6 U 8 H6 U 8 -6.363 0.930 -7.592 87 1H5* G 9 1H5* G 9 -11.640 4.378 -9.839 88 2H5* G 9 2H5* G 9 -11.602 6.140 -9.643 89 H4* G 9 H4* G 9 -13.154 4.946 -8.059 90 H3* G 9 H3* G 9 -10.860 6.507 -6.841 91 H2* G 9 H2* G 9 -11.845 5.980 -4.686 92 2HO* G 9 2HO* G 9 -14.035 6.190 -5.692 93 H1* G 9 H1* G 9 -12.244 3.342 -5.260 94 H8 G 9 H8 G 9 -8.932 4.488 -6.846 95 H1 G 9 H1 G 9 -8.597 3.188 -0.561 96 1H2 G 9 1H2 G 9 -10.694 3.127 0.306 97 2H2 G 9 2H2 G 9 -12.094 3.166 -0.758 98 1H5* G 10 1H5* G 10 -14.621 7.751 -4.835 99 2H5* G 10 2H5* G 10 -14.499 9.440 -4.321 100 H4* G 10 H4* G 10 -14.934 7.729 -2.483 101 H3* G 10 H3* G 10 -12.518 9.542 -2.285 102 H2* G 10 H2* G 10 -12.145 8.568 -0.098 103 2HO* G 10 2HO* G 10 -14.552 8.525 0.198 104 H1* G 10 H1* G 10 -12.614 5.987 -0.886 105 H8 G 10 H8 G 10 -10.662 7.570 -3.721 106 H1 G 10 H1 G 10 -7.057 6.034 1.376 107 1H2 G 10 1H2 G 10 -8.397 5.804 3.203 108 2H2 G 10 2H2 G 10 -10.149 5.801 3.032 109 1H5* U 11 1H5* U 11 -14.718 9.833 1.592 110 2H5* U 11 2H5* U 11 -14.540 11.477 2.229 111 H4* U 11 H4* U 11 -13.601 9.660 3.749 112 H3* U 11 H3* U 11 -11.649 11.746 2.784 113 H2* U 11 H2* U 11 -10.133 10.662 4.318 114 2HO* U 11 2HO* U 11 -11.810 10.310 5.912 115 H1* U 11 H1* U 11 -10.734 8.136 3.520 116 H3 U 11 H3 U 11 -6.558 9.220 2.038 117 H5 U 11 H5 U 11 -9.194 10.716 -0.898 118 H6 U 11 H6 U 11 -11.012 10.298 0.598 119 1H5* A 12 1H5* A 12 -13.027 12.898 7.032 120 2H5* A 12 2H5* A 12 -12.460 14.499 7.530 121 H4* A 12 H4* A 12 -11.064 12.501 8.293 122 H3* A 12 H3* A 12 -9.760 14.726 6.740 123 H2* A 12 H2* A 12 -7.679 13.617 7.187 124 2HO* A 12 2HO* A 12 -8.147 13.123 9.376 125 H1* A 12 H1* A 12 -8.675 11.058 6.654 126 H8 A 12 H8 A 12 -10.122 13.458 4.193 127 1H6 A 12 1H6 A 12 -5.035 12.638 0.797 128 2H6 A 12 2H6 A 12 -6.701 13.197 0.841 129 H2 A 12 H2 A 12 -4.117 11.285 4.984 130 1H5* U 13 1H5* U 13 -6.556 16.118 11.107 131 2H5* U 13 2H5* U 13 -6.580 16.734 9.457 132 H4* U 13 H4* U 13 -5.024 14.407 10.587 133 H3* U 13 H3* U 13 -4.592 16.818 8.803 134 H2* U 13 H2* U 13 -2.842 15.770 7.635 135 2HO* U 13 2HO* U 13 -2.229 14.737 9.815 136 H1* U 13 H1* U 13 -4.100 13.363 7.333 137 H3 U 13 H3 U 13 -4.582 15.090 3.162 138 H5 U 13 H5 U 13 -7.858 16.495 5.419 139 H6 U 13 H6 U 13 -6.668 15.891 7.411 140 1H5* C 14 1H5* C 14 -0.891 16.536 9.634 141 2H5* C 14 2H5* C 14 -0.212 18.080 10.188 142 H4* C 14 H4* C 14 0.920 17.507 8.174 143 H3* C 14 H3* C 14 -1.217 19.522 7.474 144 H2* C 14 H2* C 14 -0.030 19.592 5.303 145 2HO* C 14 2HO* C 14 1.818 18.333 4.980 146 H1* C 14 H1* C 14 -0.176 16.901 5.091 147 1H4 C 14 1H4 C 14 -5.715 19.061 2.749 148 2H4 C 14 2H4 C 14 -6.425 19.171 4.345 149 H5 C 14 H5 C 14 -5.098 18.657 6.412 150 H6 C 14 H6 C 14 -2.947 18.042 7.217 151 1H5* A 15 1H5* A 15 -0.090 22.851 5.974 152 2H5* A 15 2H5* A 15 1.013 21.464 5.856 153 H4* A 15 H4* A 15 1.461 24.365 5.242 154 H3* A 15 H3* A 15 1.114 22.203 3.629 155 H2* A 15 H2* A 15 2.705 20.772 4.658 156 2HO* A 15 2HO* A 15 3.708 22.192 2.481 157 H1* A 15 H1* A 15 4.685 23.021 4.633 158 H8 A 15 H8 A 15 3.351 20.070 6.745 159 1H6 A 15 1H6 A 15 9.055 19.943 9.160 160 2H6 A 15 2H6 A 15 7.486 19.145 9.084 161 H2 A 15 H2 A 15 8.780 23.498 6.473 162 1H5* C 16 1H5* C 16 1.626 21.836 0.589 163 2H5* C 16 2H5* C 16 1.593 23.228 -0.459 164 H4* C 16 H4* C 16 0.345 21.418 -1.386 165 H3* C 16 H3* C 16 -0.775 23.889 -1.559 166 H2* C 16 H2* C 16 -1.736 23.843 0.681 167 2HO* C 16 2HO* C 16 -4.081 23.278 0.227 168 H1* C 16 H1* C 16 -2.942 21.149 0.011 169 1H4 C 16 1H4 C 16 -4.302 22.105 6.274 170 2H4 C 16 2H4 C 16 -2.625 21.791 6.688 171 H5 C 16 H5 C 16 -0.936 21.345 4.924 172 H6 C 16 H6 C 16 -0.501 21.247 2.593 173 1H5* G 17 1H5* G 17 1.385 22.554 -4.079 174 2H5* G 17 2H5* G 17 0.989 21.311 -5.228 175 H4* G 17 H4* G 17 3.217 21.092 -4.482 176 H3* G 17 H3* G 17 1.514 18.934 -3.201 177 H2* G 17 H2* G 17 3.620 18.070 -2.484 178 2HO* G 17 2HO* G 17 4.353 18.608 -4.822 179 H1* G 17 H1* G 17 4.853 20.650 -2.368 180 H8 G 17 H8 G 17 5.891 19.924 -0.155 181 H1 G 17 H1 G 17 0.234 18.216 2.307 182 1H2 G 17 1H2 G 17 -1.293 18.022 0.685 183 2H2 G 17 2H2 G 17 -0.921 18.528 -0.950 184 1H5* G 18 1H5* G 18 3.702 16.630 -4.176 185 2H5* G 18 2H5* G 18 3.097 15.126 -4.766 186 H4* G 18 H4* G 18 4.174 15.386 -2.348 187 H3* G 18 H3* G 18 1.672 13.732 -2.763 188 H2* G 18 H2* G 18 1.873 13.215 -0.400 189 2HO* G 18 2HO* G 18 4.276 13.180 -0.638 190 H1* G 18 H1* G 18 2.417 15.789 0.370 191 H8 G 18 H8 G 18 -0.224 15.657 -2.414 192 H1 G 18 H1 G 18 -2.475 14.577 3.525 193 1H2 G 18 1H2 G 18 -0.755 14.242 4.928 194 2H2 G 18 2H2 G 18 0.909 14.398 4.388 195 1H5* U 19 1H5* U 19 4.646 11.477 -0.293 196 2H5* U 19 2H5* U 19 4.393 9.740 -0.453 197 H4* U 19 H4* U 19 4.153 10.791 1.878 198 H3* U 19 H3* U 19 1.941 9.020 0.790 199 H2* U 19 H2* U 19 0.953 9.235 2.988 200 2HO* U 19 2HO* U 19 3.074 9.145 4.021 201 H1* U 19 H1* U 19 1.309 11.922 3.173 202 H3 U 19 H3 U 19 -3.190 11.611 2.334 203 H5 U 19 H5 U 19 -1.334 11.376 -1.432 204 H6 U 19 H6 U 19 0.765 11.101 -0.338 205 1H5* A 20 1H5* A 20 3.551 7.074 4.409 206 2H5* A 20 2H5* A 20 3.282 5.319 4.366 207 H4* A 20 H4* A 20 2.079 6.514 6.198 208 H3* A 20 H3* A 20 0.283 5.065 4.189 209 H2* A 20 H2* A 20 -1.495 5.682 5.595 210 2HO* A 20 2HO* A 20 0.049 5.551 7.532 211 H1* A 20 H1* A 20 -0.886 8.158 5.863 212 H8 A 20 H8 A 20 0.309 7.211 2.311 213 1H6 A 20 1H6 A 20 -5.234 8.977 0.373 214 2H6 A 20 2H6 A 20 -3.627 8.427 -0.036 215 H2 A 20 H2 A 20 -5.373 8.745 4.898 216 1H5* C 21 1H5* C 21 -1.295 4.373 7.805 217 2H5* C 21 2H5* C 21 -1.741 2.761 8.087 218 H4* C 21 H4* C 21 -3.644 4.258 8.346 219 H3* C 21 H3* C 21 -3.960 2.452 5.907 220 H2* C 21 H2* C 21 -6.124 3.445 5.676 221 2HO* C 21 2HO* C 21 -6.309 3.519 8.088 222 H1* C 21 H1* C 21 -5.230 6.009 5.999 223 1H4 C 21 1H4 C 21 -5.020 5.546 -0.239 224 2H4 C 21 2H4 C 21 -3.357 4.993 -0.201 225 H5 C 21 H5 C 21 -2.224 4.370 1.961 226 H6 C 21 H6 C 21 -2.485 4.306 4.328 227 1H5* C 22 1H5* C 22 -7.520 1.949 8.242 228 2H5* C 22 2H5* C 22 -8.143 0.291 8.110 229 H4* C 22 H4* C 22 -9.698 2.075 7.214 230 H3* C 22 H3* C 22 -8.674 -0.039 5.288 231 H2* C 22 H2* C 22 -10.116 0.932 3.652 232 2HO* C 22 2HO* C 22 -11.712 1.316 5.487 233 H1* C 22 H1* C 22 -9.541 3.547 4.315 234 1H4 C 22 1H4 C 22 -6.068 2.508 -0.830 235 2H4 C 22 2H4 C 22 -4.731 1.868 0.101 236 H5 C 22 H5 C 22 -4.894 1.568 2.612 237 H6 C 22 H6 C 22 -6.361 1.737 4.491 238 1H5* U 23 1H5* U 23 -12.805 -0.048 4.431 239 2H5* U 23 2H5* U 23 -13.339 -1.710 4.134 240 H4* U 23 H4* U 23 -13.634 -0.209 2.171 241 H3* U 23 H3* U 23 -11.666 -2.490 1.825 242 H2* U 23 H2* U 23 -11.592 -1.842 -0.518 243 2HO* U 23 2HO* U 23 -13.911 -1.360 -0.526 244 H1* U 23 H1* U 23 -11.441 0.834 0.008 245 H3 U 23 H3 U 23 -7.326 -0.156 -1.597 246 H5 U 23 H5 U 23 -7.250 -1.569 2.372 247 H6 U 23 H6 U 23 -9.604 -1.098 2.533 248 1H5* U 24 1H5* U 24 -14.827 -2.636 -1.347 249 2H5* U 24 2H5* U 24 -15.059 -4.311 -1.871 250 H4* U 24 H4* U 24 -14.410 -2.701 -3.708 251 H3* U 24 H3* U 24 -12.537 -5.018 -3.133 252 H2* U 24 H2* U 24 -11.394 -4.338 -5.167 253 2HO* U 24 2HO* U 24 -13.566 -3.772 -6.104 254 H1* U 24 H1* U 24 -11.450 -1.660 -4.528 255 H3 U 24 H3 U 24 -7.076 -2.796 -4.106 256 H5 U 24 H5 U 24 -8.851 -4.325 -0.630 257 H6 U 24 H6 U 24 -11.032 -3.828 -1.562 258 1H5* U 25 1H5* U 25 -13.451 -5.264 -7.344 259 2H5* U 25 2H5* U 25 -13.526 -6.964 -7.832 260 H4* U 25 H4* U 25 -11.828 -5.656 -9.087 261 H3* U 25 H3* U 25 -10.709 -7.875 -7.327 262 H2* U 25 H2* U 25 -8.632 -7.445 -8.410 263 2HO* U 25 2HO* U 25 -9.819 -7.046 -10.474 264 H1* U 25 H1* U 25 -8.835 -4.715 -8.193 265 H3 U 25 H3 U 25 -5.597 -6.004 -5.222 266 H5 U 25 H5 U 25 -9.202 -6.673 -3.203 267 H6 U 25 H6 U 25 -10.393 -6.254 -5.264 268 1H5* G 26 1H5* G 26 -9.488 -8.874 -11.276 269 2H5* G 26 2H5* G 26 -9.404 -10.634 -11.495 270 H4* G 26 H4* G 26 -7.212 -9.427 -11.768 271 H3* G 26 H3* G 26 -7.417 -11.457 -9.523 272 H2* G 26 H2* G 26 -5.034 -11.115 -9.217 273 2HO* G 26 2HO* G 26 -4.827 -10.881 -11.624 274 H1* G 26 H1* G 26 -5.223 -8.370 -9.357 275 H8 G 26 H8 G 26 -8.287 -9.352 -7.417 276 H1 G 26 H1 G 26 -2.831 -9.911 -4.053 277 1H2 G 26 1H2 G 26 -1.053 -9.959 -5.509 278 2H2 G 26 2H2 G 26 -1.317 -9.720 -7.230 279 1H5* U 27 1H5* U 27 -3.919 -12.508 -11.980 280 2H5* U 27 2H5* U 27 -3.782 -14.271 -12.082 281 H4* U 27 H4* U 27 -1.733 -13.150 -11.218 282 H3* U 27 H3* U 27 -3.112 -14.995 -9.229 283 H2* U 27 H2* U 27 -1.123 -14.722 -7.933 284 2HO* U 27 2HO* U 27 0.355 -14.683 -9.702 285 H1* U 27 H1* U 27 -1.118 -12.016 -8.193 286 H3 U 27 H3 U 27 -2.486 -13.027 -3.924 287 H5 U 27 H5 U 27 -5.959 -13.292 -6.295 288 H6 U 27 H6 U 27 -4.590 -13.077 -8.253 289 1H5* G 28 1H5* G 28 0.968 -16.563 -10.124 290 2H5* G 28 2H5* G 28 1.132 -18.260 -9.638 291 H4* G 28 H4* G 28 2.611 -16.499 -8.468 292 H3* G 28 H3* G 28 1.001 -18.401 -6.791 293 H2* G 28 H2* G 28 2.139 -17.363 -4.899 294 2HO* G 28 2HO* G 28 3.758 -15.871 -5.161 295 H1* G 28 H1* G 28 1.607 -14.815 -5.734 296 H8 G 28 H8 G 28 -1.500 -16.538 -6.835 297 H1 G 28 H1 G 28 -1.176 -15.836 -0.459 298 1H2 G 28 1H2 G 28 0.990 -15.521 0.166 299 2H2 G 28 2H2 G 28 2.250 -15.315 -1.037 300 1H5* U 29 1H5* U 29 4.799 -18.509 -5.315 301 2H5* U 29 2H5* U 29 5.422 -20.132 -4.967 302 H4* U 29 H4* U 29 5.419 -18.730 -2.956 303 H3* U 29 H3* U 29 3.423 -21.026 -2.899 304 H2* U 29 H2* U 29 2.984 -20.463 -0.639 305 2HO* U 29 2HO* U 29 5.349 -19.869 -0.420 306 H1* U 29 H1* U 29 2.753 -17.789 -1.098 307 H3 U 29 H3 U 29 -1.601 -19.253 -0.595 308 H5 U 29 H5 U 29 -0.689 -19.565 -4.690 309 H6 U 29 H6 U 29 1.572 -19.200 -4.189 310 1H5* C 30 1H5* C 30 5.949 -21.502 0.363 311 2H5* C 30 2H5* C 30 6.342 -23.202 0.676 312 H4* C 30 H4* C 30 5.246 -22.099 2.590 313 H3* C 30 H3* C 30 3.604 -24.266 1.215 314 H2* C 30 H2* C 30 2.052 -24.074 3.025 315 2HO* C 30 2HO* C 30 4.126 -23.727 4.430 316 H1* C 30 H1* C 30 2.299 -21.290 3.208 317 1H4 C 30 1H4 C 30 -3.159 -22.010 0.161 318 2H4 C 30 2H4 C 30 -2.376 -22.162 -1.402 319 H5 C 30 H5 C 30 0.142 -22.505 -1.556 320 H6 C 30 H6 C 30 2.180 -22.484 -0.274 321 H3T C 30 HE C 30 4.531 -25.573 2.726 Start of MODEL 2 1 1H5* G 1 1H5* G 1 -11.179 -23.537 8.555 2 2H5* G 1 2H5* G 1 -11.431 -21.780 8.516 3 H4* G 1 H4* G 1 -9.149 -22.460 9.306 4 H3* G 1 H3* G 1 -9.214 -20.876 6.722 5 H2* G 1 H2* G 1 -6.814 -20.728 7.039 6 2HO* G 1 2HO* G 1 -7.138 -20.503 9.404 7 H1* G 1 H1* G 1 -6.567 -23.377 7.776 8 H8 G 1 H8 G 1 -9.003 -23.138 4.852 9 H1 G 1 H1 G 1 -2.851 -22.377 3.154 10 1H2 G 1 1H2 G 1 -1.585 -22.098 5.036 11 2H2 G 1 2H2 G 1 -2.309 -22.188 6.636 12 1H5* G 2 1H5* G 2 -6.700 -18.820 9.672 13 2H5* G 2 2H5* G 2 -6.737 -17.077 9.387 14 H4* G 2 H4* G 2 -4.428 -18.140 9.305 15 H3* G 2 H3* G 2 -5.379 -16.714 6.804 16 H2* G 2 H2* G 2 -3.115 -16.954 6.116 17 2HO* G 2 2HO* G 2 -2.354 -16.534 8.356 18 H1* G 2 H1* G 2 -2.890 -19.569 7.012 19 H8 G 2 H8 G 2 -6.223 -19.343 5.288 20 H1 G 2 H1 G 2 -1.239 -18.907 1.205 21 1H2 G 2 1H2 G 2 0.659 -18.782 2.356 22 2H2 G 2 2H2 G 2 0.679 -18.795 4.114 23 1H5* C 3 1H5* C 3 -1.902 -14.831 8.475 24 2H5* C 3 2H5* C 3 -1.680 -13.140 8.011 25 H4* C 3 H4* C 3 0.045 -14.923 7.256 26 H3* C 3 H3* C 3 -1.178 -12.966 5.257 27 H2* C 3 H2* C 3 0.372 -13.825 3.652 28 2HO* C 3 2HO* C 3 2.044 -13.984 5.387 29 H1* C 3 H1* C 3 -0.056 -16.445 4.340 30 1H4 C 3 1H4 C 3 -4.123 -15.802 -0.445 31 2H4 C 3 2H4 C 3 -5.378 -15.267 0.652 32 H5 C 3 H5 C 3 -4.925 -14.775 3.055 33 H6 C 3 H6 C 3 -3.247 -14.783 4.747 34 1H5* A 4 1H5* A 4 2.988 -12.053 5.133 35 2H5* A 4 2H5* A 4 3.248 -10.326 4.814 36 H4* A 4 H4* A 4 4.133 -11.867 3.038 37 H3* A 4 H3* A 4 1.937 -9.935 2.217 38 H2* A 4 H2* A 4 2.320 -10.697 -0.026 39 2HO* A 4 2HO* A 4 4.673 -10.788 0.390 40 H1* A 4 H1* A 4 2.457 -13.358 0.664 41 H8 A 4 H8 A 4 -0.304 -11.807 2.754 42 1H6 A 4 1H6 A 4 -3.960 -13.029 -2.112 43 2H6 A 4 2H6 A 4 -3.892 -12.593 -0.410 44 H2 A 4 H2 A 4 0.297 -13.390 -3.453 45 1H5* C 5 1H5* C 5 5.381 -8.834 -0.359 46 2H5* C 5 2H5* C 5 5.233 -7.129 -0.832 47 H4* C 5 H4* C 5 5.076 -8.808 -2.728 48 H3* C 5 H3* C 5 2.674 -7.012 -2.257 49 H2* C 5 H2* C 5 1.780 -8.002 -4.270 50 2HO* C 5 2HO* C 5 4.066 -8.051 -5.145 51 H1* C 5 H1* C 5 2.466 -10.573 -3.588 52 1H4 C 5 1H4 C 5 -3.654 -9.669 -2.050 53 2H4 C 5 2H4 C 5 -3.220 -8.968 -0.504 54 H5 C 5 H5 C 5 -0.834 -8.568 0.156 55 H6 C 5 H6 C 5 1.439 -8.703 -0.603 56 1H5* U 6 1H5* U 6 3.286 -6.681 -6.401 57 2H5* U 6 2H5* U 6 2.964 -5.065 -7.033 58 H4* U 6 H4* U 6 1.517 -6.939 -7.957 59 H3* U 6 H3* U 6 0.170 -4.588 -6.625 60 H2* U 6 H2* U 6 -1.940 -5.554 -7.121 61 2HO* U 6 2HO* U 6 -2.216 -7.272 -8.468 62 H1* U 6 H1* U 6 -1.252 -8.095 -6.395 63 H3 U 6 H3 U 6 -4.194 -6.595 -3.247 64 H5 U 6 H5 U 6 -0.338 -5.805 -1.770 65 H6 U 6 H6 U 6 0.544 -6.236 -3.944 66 1H5* C 7 1H5* C 7 -0.903 -3.859 -10.789 67 2H5* C 7 2H5* C 7 -0.926 -2.139 -11.236 68 H4* C 7 H4* C 7 -3.245 -3.126 -10.753 69 H3* C 7 H3* C 7 -2.231 -0.948 -8.891 70 H2* C 7 H2* C 7 -4.359 -1.031 -7.866 71 2HO* C 7 2HO* C 7 -5.631 -0.982 -9.737 72 H1* C 7 H1* C 7 -4.693 -3.814 -8.358 73 1H4 C 7 1H4 C 7 -4.001 -3.195 -2.105 74 2H4 C 7 2H4 C 7 -2.245 -3.229 -2.184 75 H5 C 7 H5 C 7 -1.063 -3.231 -4.478 76 H6 C 7 H6 C 7 -1.473 -3.122 -6.838 77 1H5* U 8 1H5* U 8 -6.146 -0.057 -11.445 78 2H5* U 8 2H5* U 8 -6.225 1.705 -11.628 79 H4* U 8 H4* U 8 -8.401 0.667 -10.947 80 H3* U 8 H3* U 8 -7.130 2.625 -9.011 81 H2* U 8 H2* U 8 -9.182 2.449 -7.751 82 2HO* U 8 2HO* U 8 -10.411 2.357 -9.808 83 H1* U 8 H1* U 8 -9.372 -0.285 -7.986 84 H3 U 8 H3 U 8 -8.436 0.582 -3.574 85 H5 U 8 H5 U 8 -4.711 0.591 -5.544 86 H6 U 8 H6 U 8 -5.865 0.576 -7.648 87 1H5* G 9 1H5* G 9 -11.255 4.136 -9.803 88 2H5* G 9 2H5* G 9 -11.262 5.896 -9.590 89 H4* G 9 H4* G 9 -12.776 4.610 -8.022 90 H3* G 9 H3* G 9 -10.585 6.303 -6.793 91 H2* G 9 H2* G 9 -11.557 5.721 -4.640 92 2HO* G 9 2HO* G 9 -13.747 5.784 -5.667 93 H1* G 9 H1* G 9 -11.759 3.065 -5.202 94 H8 G 9 H8 G 9 -8.534 4.334 -6.837 95 H1 G 9 H1 G 9 -8.109 3.402 -0.495 96 1H2 G 9 1H2 G 9 -10.202 3.299 0.389 97 2H2 G 9 2H2 G 9 -11.600 3.194 -0.672 98 1H5* G 10 1H5* G 10 -14.444 7.286 -4.813 99 2H5* G 10 2H5* G 10 -14.456 8.986 -4.321 100 H4* G 10 H4* G 10 -14.788 7.258 -2.468 101 H3* G 10 H3* G 10 -12.561 9.293 -2.263 102 H2* G 10 H2* G 10 -12.109 8.396 -0.059 103 2HO* G 10 2HO* G 10 -14.513 8.106 0.204 104 H1* G 10 H1* G 10 -12.305 5.770 -0.808 105 H8 G 10 H8 G 10 -10.519 7.401 -3.702 106 H1 G 10 H1 G 10 -6.789 6.458 1.447 107 1H2 G 10 1H2 G 10 -8.100 6.168 3.289 108 2H2 G 10 2H2 G 10 -9.848 6.041 3.129 109 1H5* U 11 1H5* U 11 -14.739 9.390 1.615 110 2H5* U 11 2H5* U 11 -14.804 11.071 2.181 111 H4* U 11 H4* U 11 -13.590 9.513 3.800 112 H3* U 11 H3* U 11 -11.970 11.754 2.618 113 H2* U 11 H2* U 11 -10.321 11.005 4.228 114 2HO* U 11 2HO* U 11 -11.819 10.570 5.920 115 H1* U 11 H1* U 11 -10.616 8.360 3.660 116 H3 U 11 H3 U 11 -6.565 9.719 2.083 117 H5 U 11 H5 U 11 -9.318 10.779 -0.932 118 H6 U 11 H6 U 11 -11.101 10.271 0.587 119 1H5* A 12 1H5* A 12 -13.113 12.869 6.875 120 2H5* A 12 2H5* A 12 -12.689 14.532 7.322 121 H4* A 12 H4* A 12 -11.177 12.643 8.198 122 H3* A 12 H3* A 12 -9.959 14.917 6.651 123 H2* A 12 H2* A 12 -7.837 13.911 7.140 124 2HO* A 12 2HO* A 12 -8.326 13.406 9.324 125 H1* A 12 H1* A 12 -8.712 11.292 6.583 126 H8 A 12 H8 A 12 -10.219 13.628 4.104 127 1H6 A 12 1H6 A 12 -5.052 13.076 0.788 128 2H6 A 12 2H6 A 12 -6.746 13.543 0.811 129 H2 A 12 H2 A 12 -4.126 11.770 4.993 130 1H5* U 13 1H5* U 13 -6.951 16.450 11.121 131 2H5* U 13 2H5* U 13 -6.940 17.064 9.469 132 H4* U 13 H4* U 13 -5.348 14.787 10.656 133 H3* U 13 H3* U 13 -4.927 17.227 8.914 134 H2* U 13 H2* U 13 -3.102 16.245 7.799 135 2HO* U 13 2HO* U 13 -2.554 15.201 10.002 136 H1* U 13 H1* U 13 -4.262 13.805 7.423 137 H3 U 13 H3 U 13 -4.659 15.581 3.257 138 H5 U 13 H5 U 13 -8.078 16.787 5.415 139 H6 U 13 H6 U 13 -6.922 16.216 7.434 140 1H5* C 14 1H5* C 14 -1.256 16.901 9.857 141 2H5* C 14 2H5* C 14 -0.563 18.420 10.461 142 H4* C 14 H4* C 14 0.624 17.821 8.474 143 H3* C 14 H3* C 14 -1.401 19.984 7.823 144 H2* C 14 H2* C 14 -0.257 20.064 5.646 145 2HO* C 14 2HO* C 14 1.793 19.488 6.938 146 H1* C 14 H1* C 14 -0.351 17.383 5.347 147 1H4 C 14 1H4 C 14 -5.817 19.504 2.812 148 2H4 C 14 2H4 C 14 -6.581 19.618 4.383 149 H5 C 14 H5 C 14 -5.330 19.119 6.496 150 H6 C 14 H6 C 14 -3.200 18.519 7.382 151 1H5* A 15 1H5* A 15 -0.134 23.254 6.430 152 2H5* A 15 2H5* A 15 0.920 21.843 6.154 153 H4* A 15 H4* A 15 1.416 24.778 5.775 154 H3* A 15 H3* A 15 0.667 22.908 3.991 155 H2* A 15 H2* A 15 2.233 21.249 4.461 156 2HO* A 15 2HO* A 15 3.056 22.993 2.467 157 H1* A 15 H1* A 15 4.520 23.193 4.595 158 H8 A 15 H8 A 15 3.560 19.739 5.151 159 1H6 A 15 1H6 A 15 8.055 19.278 9.358 160 2H6 A 15 2H6 A 15 6.883 18.415 8.366 161 H2 A 15 H2 A 15 7.448 23.620 8.496 162 1H5* C 16 1H5* C 16 1.064 22.535 0.953 163 2H5* C 16 2H5* C 16 0.951 23.954 -0.030 164 H4* C 16 H4* C 16 -0.268 22.151 -0.954 165 H3* C 16 H3* C 16 -1.511 24.572 -0.999 166 H2* C 16 H2* C 16 -2.338 24.438 1.289 167 2HO* C 16 2HO* C 16 -4.677 23.827 0.975 168 H1* C 16 H1* C 16 -3.499 21.724 0.639 169 1H4 C 16 1H4 C 16 -4.384 22.586 7.015 170 2H4 C 16 2H4 C 16 -2.677 22.279 7.283 171 H5 C 16 H5 C 16 -1.135 21.880 5.393 172 H6 C 16 H6 C 16 -0.888 21.791 3.026 173 1H5* G 17 1H5* G 17 0.509 23.434 -3.710 174 2H5* G 17 2H5* G 17 0.082 22.184 -4.835 175 H4* G 17 H4* G 17 2.369 22.097 -4.278 176 H3* G 17 H3* G 17 0.917 19.803 -2.922 177 H2* G 17 H2* G 17 3.146 19.067 -2.445 178 2HO* G 17 2HO* G 17 3.622 19.717 -4.812 179 H1* G 17 H1* G 17 4.185 21.723 -2.320 180 H8 G 17 H8 G 17 5.452 20.931 -0.310 181 H1 G 17 H1 G 17 0.218 18.750 2.627 182 1H2 G 17 1H2 G 17 -1.485 18.635 1.210 183 2H2 G 17 2H2 G 17 -1.351 19.301 -0.410 184 1H5* G 18 1H5* G 18 3.178 17.681 -4.150 185 2H5* G 18 2H5* G 18 2.625 16.143 -4.697 186 H4* G 18 H4* G 18 3.901 16.484 -2.371 187 H3* G 18 H3* G 18 1.551 14.600 -2.626 188 H2* G 18 H2* G 18 1.871 14.137 -0.275 189 2HO* G 18 2HO* G 18 4.281 14.355 -0.641 190 H1* G 18 H1* G 18 2.200 16.736 0.485 191 H8 G 18 H8 G 18 -0.454 16.471 -2.264 192 H1 G 18 H1 G 18 -2.577 15.071 3.653 193 1H2 G 18 1H2 G 18 -0.814 14.784 5.032 194 2H2 G 18 2H2 G 18 0.828 15.075 4.483 195 1H5* U 19 1H5* U 19 4.666 12.612 -0.143 196 2H5* U 19 2H5* U 19 4.563 10.863 -0.332 197 H4* U 19 H4* U 19 4.183 11.822 2.004 198 H3* U 19 H3* U 19 2.086 9.964 0.830 199 H2* U 19 H2* U 19 1.051 10.075 3.008 200 2HO* U 19 2HO* U 19 3.108 10.069 4.123 201 H1* U 19 H1* U 19 1.243 12.771 3.246 202 H3 U 19 H3 U 19 -3.197 12.091 2.308 203 H5 U 19 H5 U 19 -1.260 12.222 -1.425 204 H6 U 19 H6 U 19 0.834 12.095 -0.299 205 1H5* A 20 1H5* A 20 3.655 8.140 4.508 206 2H5* A 20 2H5* A 20 3.516 6.370 4.454 207 H4* A 20 H4* A 20 2.173 7.452 6.269 208 H3* A 20 H3* A 20 0.564 5.916 4.173 209 H2* A 20 H2* A 20 -1.303 6.362 5.499 210 2HO* A 20 2HO* A 20 -1.234 7.238 7.494 211 H1* A 20 H1* A 20 -0.877 8.869 5.855 212 H8 A 20 H8 A 20 0.447 8.119 2.305 213 1H6 A 20 1H6 A 20 -5.235 9.427 0.360 214 2H6 A 20 2H6 A 20 -3.585 9.036 -0.056 215 H2 A 20 H2 A 20 -5.367 9.112 4.875 216 1H5* C 21 1H5* C 21 -0.880 5.027 7.774 217 2H5* C 21 2H5* C 21 -1.228 3.405 8.059 218 H4* C 21 H4* C 21 -3.222 4.751 8.394 219 H3* C 21 H3* C 21 -3.467 2.961 5.938 220 H2* C 21 H2* C 21 -5.687 3.818 5.725 221 2HO* C 21 2HO* C 21 -5.871 3.860 8.134 222 H1* C 21 H1* C 21 -4.978 6.425 6.059 223 1H4 C 21 1H4 C 21 -4.770 5.961 -0.191 224 2H4 C 21 2H4 C 21 -3.082 5.490 -0.163 225 H5 C 21 H5 C 21 -1.897 4.954 1.988 226 H6 C 21 H6 C 21 -2.122 4.894 4.345 227 1H5* C 22 1H5* C 22 -6.991 2.226 8.319 228 2H5* C 22 2H5* C 22 -7.533 0.543 8.153 229 H4* C 22 H4* C 22 -9.175 2.282 7.306 230 H3* C 22 H3* C 22 -8.089 0.230 5.352 231 H2* C 22 H2* C 22 -9.576 1.169 3.729 232 2HO* C 22 2HO* C 22 -11.174 1.490 5.574 233 H1* C 22 H1* C 22 -9.077 3.793 4.399 234 1H4 C 22 1H4 C 22 -5.580 2.789 -0.750 235 2H4 C 22 2H4 C 22 -4.232 2.174 0.181 236 H5 C 22 H5 C 22 -4.379 1.918 2.698 237 H6 C 22 H6 C 22 -5.844 2.076 4.576 238 1H5* U 23 1H5* U 23 -12.211 0.119 4.486 239 2H5* U 23 2H5* U 23 -12.718 -1.552 4.192 240 H4* U 23 H4* U 23 -13.030 -0.037 2.225 241 H3* U 23 H3* U 23 -11.083 -2.337 1.892 242 H2* U 23 H2* U 23 -10.980 -1.701 -0.449 243 2HO* U 23 2HO* U 23 -13.281 -1.205 -0.518 244 H1* U 23 H1* U 23 -10.840 0.980 0.059 245 H3 U 23 H3 U 23 -6.733 0.032 -1.566 246 H5 U 23 H5 U 23 -6.601 -1.297 2.431 247 H6 U 23 H6 U 23 -8.967 -0.885 2.595 248 1H5* U 24 1H5* U 24 -14.257 -2.397 -1.289 249 2H5* U 24 2H5* U 24 -14.527 -4.062 -1.828 250 H4* U 24 H4* U 24 -13.819 -2.426 -3.650 251 H3* U 24 H3* U 24 -12.070 -4.836 -3.092 252 H2* U 24 H2* U 24 -10.884 -4.225 -5.099 253 2HO* U 24 2HO* U 24 -11.584 -2.593 -6.450 254 H1* U 24 H1* U 24 -10.832 -1.534 -4.443 255 H3 U 24 H3 U 24 -6.517 -2.864 -4.163 256 H5 U 24 H5 U 24 -8.240 -4.243 -0.600 257 H6 U 24 H6 U 24 -10.434 -3.697 -1.486 258 1H5* U 25 1H5* U 25 -12.973 -4.948 -7.214 259 2H5* U 25 2H5* U 25 -13.235 -6.612 -7.761 260 H4* U 25 H4* U 25 -11.423 -5.499 -9.021 261 H3* U 25 H3* U 25 -10.534 -7.801 -7.240 262 H2* U 25 H2* U 25 -8.413 -7.596 -8.294 263 2HO* U 25 2HO* U 25 -9.413 -7.203 -10.397 264 H1* U 25 H1* U 25 -8.365 -4.842 -8.187 265 H3 U 25 H3 U 25 -5.189 -6.211 -5.218 266 H5 U 25 H5 U 25 -8.807 -6.675 -3.150 267 H6 U 25 H6 U 25 -9.992 -6.224 -5.202 268 1H5* G 26 1H5* G 26 -9.624 -9.072 -11.228 269 2H5* G 26 2H5* G 26 -9.733 -10.838 -11.375 270 H4* G 26 H4* G 26 -7.430 -9.892 -11.751 271 H3* G 26 H3* G 26 -7.791 -11.764 -9.387 272 H2* G 26 H2* G 26 -5.376 -11.684 -9.189 273 2HO* G 26 2HO* G 26 -5.203 -11.643 -11.590 274 H1* G 26 H1* G 26 -5.259 -8.947 -9.538 275 H8 G 26 H8 G 26 -8.259 -9.522 -7.309 276 H1 G 26 H1 G 26 -2.610 -10.328 -4.329 277 1H2 G 26 1H2 G 26 -0.964 -10.596 -5.915 278 2H2 G 26 2H2 G 26 -1.347 -10.454 -7.622 279 1H5* U 27 1H5* U 27 -4.616 -13.348 -12.030 280 2H5* U 27 2H5* U 27 -4.623 -15.119 -11.989 281 H4* U 27 H4* U 27 -2.428 -14.062 -11.388 282 H3* U 27 H3* U 27 -3.735 -15.731 -9.206 283 H2* U 27 H2* U 27 -1.649 -15.486 -8.068 284 2HO* U 27 2HO* U 27 -0.362 -15.638 -10.016 285 H1* U 27 H1* U 27 -1.486 -12.804 -8.520 286 H3 U 27 H3 U 27 -2.453 -13.508 -4.089 287 H5 U 27 H5 U 27 -6.174 -13.554 -6.060 288 H6 U 27 H6 U 27 -5.008 -13.598 -8.164 289 1H5* G 28 1H5* G 28 0.270 -17.494 -10.180 290 2H5* G 28 2H5* G 28 0.375 -19.166 -9.603 291 H4* G 28 H4* G 28 1.966 -17.406 -8.585 292 H3* G 28 H3* G 28 0.370 -19.167 -6.756 293 H2* G 28 H2* G 28 1.600 -18.072 -4.956 294 2HO* G 28 2HO* G 28 3.242 -16.631 -5.347 295 H1* G 28 H1* G 28 1.099 -15.556 -5.877 296 H8 G 28 H8 G 28 -2.075 -17.202 -6.872 297 H1 G 28 H1 G 28 -1.658 -16.301 -0.531 298 1H2 G 28 1H2 G 28 0.521 -16.034 0.070 299 2H2 G 28 2H2 G 28 1.779 -15.934 -1.151 300 1H5* U 29 1H5* U 29 4.212 -19.282 -5.400 301 2H5* U 29 2H5* U 29 4.813 -20.899 -4.996 302 H4* U 29 H4* U 29 4.913 -19.399 -3.058 303 H3* U 29 H3* U 29 2.897 -21.660 -2.822 304 H2* U 29 H2* U 29 2.544 -20.988 -0.574 305 2HO* U 29 2HO* U 29 4.923 -20.423 -0.467 306 H1* U 29 H1* U 29 2.337 -18.332 -1.141 307 H3 U 29 H3 U 29 -2.018 -19.724 -0.415 308 H5 U 29 H5 U 29 -1.261 -20.177 -4.525 309 H6 U 29 H6 U 29 1.021 -19.844 -4.116 310 1H5* C 30 1H5* C 30 5.523 -22.029 0.381 311 2H5* C 30 2H5* C 30 5.898 -23.722 0.753 312 H4* C 30 H4* C 30 4.861 -22.543 2.652 313 H3* C 30 H3* C 30 3.132 -24.703 1.375 314 H2* C 30 H2* C 30 1.617 -24.403 3.199 315 2HO* C 30 2HO* C 30 3.733 -24.074 4.552 316 H1* C 30 H1* C 30 1.962 -21.622 3.295 317 1H4 C 30 1H4 C 30 -3.599 -22.414 0.409 318 2H4 C 30 2H4 C 30 -2.860 -22.698 -1.155 319 H5 C 30 H5 C 30 -0.353 -23.067 -1.351 320 H6 C 30 H6 C 30 1.722 -22.994 -0.125 321 H3T C 30 HE C 30 4.049 -25.989 2.902 Start of MODEL 3 1 1H5* G 1 1H5* G 1 -11.232 -22.517 8.036 2 2H5* G 1 2H5* G 1 -11.497 -20.776 8.237 3 H4* G 1 H4* G 1 -9.411 -21.362 9.304 4 H3* G 1 H3* G 1 -8.938 -19.918 6.686 5 H2* G 1 H2* G 1 -6.629 -19.837 7.349 6 2HO* G 1 2HO* G 1 -7.334 -19.561 9.660 7 H1* G 1 H1* G 1 -6.534 -22.447 8.087 8 H8 G 1 H8 G 1 -8.875 -22.378 5.114 9 H1 G 1 H1 G 1 -2.716 -21.531 3.481 10 1H2 G 1 1H2 G 1 -1.482 -21.167 5.369 11 2H2 G 1 2H2 G 1 -2.229 -21.209 6.961 12 1H5* G 2 1H5* G 2 -6.763 -17.819 9.627 13 2H5* G 2 2H5* G 2 -6.787 -16.082 9.305 14 H4* G 2 H4* G 2 -4.471 -17.106 9.384 15 H3* G 2 H3* G 2 -5.295 -15.818 6.763 16 H2* G 2 H2* G 2 -3.000 -16.048 6.222 17 2HO* G 2 2HO* G 2 -2.414 -15.534 8.523 18 H1* G 2 H1* G 2 -2.791 -18.619 7.206 19 H8 G 2 H8 G 2 -6.094 -18.478 5.418 20 H1 G 2 H1 G 2 -1.048 -18.090 1.409 21 1H2 G 2 1H2 G 2 0.826 -17.875 2.584 22 2H2 G 2 2H2 G 2 0.812 -17.828 4.343 23 1H5* C 3 1H5* C 3 -1.959 -13.851 8.408 24 2H5* C 3 2H5* C 3 -1.757 -12.171 7.905 25 H4* C 3 H4* C 3 0.008 -13.951 7.244 26 H3* C 3 H3* C 3 -1.201 -12.021 5.214 27 H2* C 3 H2* C 3 0.383 -12.853 3.623 28 2HO* C 3 2HO* C 3 2.041 -12.936 5.359 29 H1* C 3 H1* C 3 0.046 -15.486 4.340 30 1H4 C 3 1H4 C 3 -3.992 -15.308 -0.487 31 2H4 C 3 2H4 C 3 -5.278 -14.818 0.591 32 H5 C 3 H5 C 3 -4.871 -14.153 2.947 33 H6 C 3 H6 C 3 -3.210 -13.953 4.645 34 1H5* A 4 1H5* A 4 2.949 -10.868 5.279 35 2H5* A 4 2H5* A 4 3.103 -9.130 4.953 36 H4* A 4 H4* A 4 4.130 -10.618 3.210 37 H3* A 4 H3* A 4 1.827 -8.847 2.327 38 H2* A 4 H2* A 4 2.287 -9.595 0.104 39 2HO* A 4 2HO* A 4 4.628 -9.492 0.503 40 H1* A 4 H1* A 4 2.656 -12.230 0.807 41 H8 A 4 H8 A 4 -0.289 -10.779 2.774 42 1H6 A 4 1H6 A 4 -3.704 -12.611 -2.094 43 2H6 A 4 2H6 A 4 -3.724 -12.045 -0.433 44 H2 A 4 H2 A 4 0.618 -12.777 -3.270 45 1H5* C 5 1H5* C 5 5.224 -7.567 -0.248 46 2H5* C 5 2H5* C 5 4.961 -5.876 -0.723 47 H4* C 5 H4* C 5 4.915 -7.556 -2.632 48 H3* C 5 H3* C 5 2.383 -5.963 -2.121 49 H2* C 5 H2* C 5 1.527 -6.994 -4.098 50 2HO* C 5 2HO* C 5 2.747 -8.110 -5.530 51 H1* C 5 H1* C 5 2.491 -9.513 -3.462 52 1H4 C 5 1H4 C 5 -3.696 -9.211 -2.037 53 2H4 C 5 2H4 C 5 -3.388 -8.383 -0.522 54 H5 C 5 H5 C 5 -1.055 -7.751 0.190 55 H6 C 5 H6 C 5 1.238 -7.680 -0.527 56 1H5* U 6 1H5* U 6 3.087 -5.491 -6.202 57 2H5* U 6 2H5* U 6 2.668 -3.905 -6.856 58 H4* U 6 H4* U 6 1.418 -5.851 -7.866 59 H3* U 6 H3* U 6 -0.194 -3.677 -6.518 60 H2* U 6 H2* U 6 -2.189 -4.856 -7.095 61 2HO* U 6 2HO* U 6 -1.118 -5.439 -9.190 62 H1* U 6 H1* U 6 -1.282 -7.331 -6.443 63 H3 U 6 H3 U 6 -4.439 -6.192 -3.342 64 H5 U 6 H5 U 6 -0.740 -4.968 -1.756 65 H6 U 6 H6 U 6 0.243 -5.303 -3.890 66 1H5* C 7 1H5* C 7 -1.061 -3.017 -10.843 67 2H5* C 7 2H5* C 7 -1.310 -1.313 -11.272 68 H4* C 7 H4* C 7 -3.475 -2.599 -10.842 69 H3* C 7 H3* C 7 -2.786 -0.317 -8.961 70 H2* C 7 H2* C 7 -4.908 -0.652 -7.988 71 2HO* C 7 2HO* C 7 -6.123 -0.723 -9.893 72 H1* C 7 H1* C 7 -4.912 -3.461 -8.503 73 1H4 C 7 1H4 C 7 -4.580 -2.918 -2.231 74 2H4 C 7 2H4 C 7 -2.849 -2.617 -2.222 75 H5 C 7 H5 C 7 -1.576 -2.372 -4.457 76 H6 C 7 H6 C 7 -1.890 -2.280 -6.831 77 1H5* U 8 1H5* U 8 -6.741 0.176 -11.560 78 2H5* U 8 2H5* U 8 -6.945 1.927 -11.757 79 H4* U 8 H4* U 8 -9.045 0.778 -11.054 80 H3* U 8 H3* U 8 -7.844 2.767 -9.100 81 H2* U 8 H2* U 8 -9.870 2.486 -7.826 82 2HO* U 8 2HO* U 8 -11.110 2.407 -9.882 83 H1* U 8 H1* U 8 -9.974 -0.256 -8.156 84 H3 U 8 H3 U 8 -9.101 0.244 -3.712 85 H5 U 8 H5 U 8 -5.384 0.799 -5.619 86 H6 U 8 H6 U 8 -6.530 0.894 -7.737 87 1H5* G 9 1H5* G 9 -11.941 4.277 -9.846 88 2H5* G 9 2H5* G 9 -11.915 6.040 -9.643 89 H4* G 9 H4* G 9 -13.405 4.830 -8.018 90 H3* G 9 H3* G 9 -11.071 6.377 -6.854 91 H2* G 9 H2* G 9 -12.006 5.831 -4.681 92 2HO* G 9 2HO* G 9 -14.217 6.065 -5.610 93 H1* G 9 H1* G 9 -12.422 3.199 -5.276 94 H8 G 9 H8 G 9 -9.151 4.395 -6.917 95 H1 G 9 H1 G 9 -8.660 2.985 -0.668 96 1H2 G 9 1H2 G 9 -10.736 2.868 0.242 97 2H2 G 9 2H2 G 9 -12.157 2.878 -0.794 98 1H5* G 10 1H5* G 10 -14.806 7.645 -4.781 99 2H5* G 10 2H5* G 10 -14.648 9.322 -4.237 100 H4* G 10 H4* G 10 -15.086 7.575 -2.427 101 H3* G 10 H3* G 10 -12.655 9.366 -2.227 102 H2* G 10 H2* G 10 -12.263 8.351 -0.060 103 2HO* G 10 2HO* G 10 -14.678 8.303 0.245 104 H1* G 10 H1* G 10 -12.732 5.790 -0.894 105 H8 G 10 H8 G 10 -10.837 7.409 -3.743 106 H1 G 10 H1 G 10 -7.146 5.898 1.299 107 1H2 G 10 1H2 G 10 -8.457 5.636 3.138 108 2H2 G 10 2H2 G 10 -10.212 5.612 2.993 109 1H5* U 11 1H5* U 11 -14.776 9.603 1.659 110 2H5* U 11 2H5* U 11 -14.608 11.240 2.319 111 H4* U 11 H4* U 11 -13.636 9.413 3.799 112 H3* U 11 H3* U 11 -11.716 11.530 2.830 113 H2* U 11 H2* U 11 -10.162 10.453 4.323 114 2HO* U 11 2HO* U 11 -11.813 10.064 5.941 115 H1* U 11 H1* U 11 -10.749 7.924 3.519 116 H3 U 11 H3 U 11 -6.606 9.113 1.989 117 H5 U 11 H5 U 11 -9.316 10.546 -0.907 118 H6 U 11 H6 U 11 -11.102 10.074 0.605 119 1H5* A 12 1H5* A 12 -13.039 12.634 7.111 120 2H5* A 12 2H5* A 12 -12.469 14.230 7.617 121 H4* A 12 H4* A 12 -11.050 12.227 8.323 122 H3* A 12 H3* A 12 -9.783 14.482 6.790 123 H2* A 12 H2* A 12 -7.694 13.374 7.195 124 2HO* A 12 2HO* A 12 -8.129 12.829 9.379 125 H1* A 12 H1* A 12 -8.675 10.824 6.629 126 H8 A 12 H8 A 12 -10.159 13.266 4.216 127 1H6 A 12 1H6 A 12 -5.057 12.556 0.801 128 2H6 A 12 2H6 A 12 -6.723 13.113 0.851 129 H2 A 12 H2 A 12 -4.153 11.088 4.946 130 1H5* U 13 1H5* U 13 -6.487 15.753 11.130 131 2H5* U 13 2H5* U 13 -6.536 16.378 9.484 132 H4* U 13 H4* U 13 -5.002 13.998 10.554 133 H3* U 13 H3* U 13 -4.556 16.454 8.846 134 H2* U 13 H2* U 13 -2.837 15.448 7.623 135 2HO* U 13 2HO* U 13 -1.912 13.487 8.205 136 H1* U 13 H1* U 13 -4.126 13.061 7.256 137 H3 U 13 H3 U 13 -4.529 14.977 3.162 138 H5 U 13 H5 U 13 -7.863 16.225 5.429 139 H6 U 13 H6 U 13 -6.686 15.557 7.409 140 1H5* C 14 1H5* C 14 -0.907 16.008 9.585 141 2H5* C 14 2H5* C 14 -0.133 17.475 10.219 142 H4* C 14 H4* C 14 0.952 16.956 8.157 143 H3* C 14 H3* C 14 -1.089 19.124 7.622 144 H2* C 14 H2* C 14 0.074 19.321 5.462 145 2HO* C 14 2HO* C 14 1.850 18.016 4.995 146 H1* C 14 H1* C 14 -0.195 16.639 5.066 147 1H4 C 14 1H4 C 14 -5.679 19.014 2.864 148 2H4 C 14 2H4 C 14 -6.395 19.020 4.461 149 H5 C 14 H5 C 14 -5.072 18.385 6.494 150 H6 C 14 H6 C 14 -2.916 17.732 7.269 151 1H5* A 15 1H5* A 15 0.173 22.491 6.391 152 2H5* A 15 2H5* A 15 1.224 21.076 6.154 153 H4* A 15 H4* A 15 1.795 24.006 5.849 154 H3* A 15 H3* A 15 1.293 22.077 3.999 155 H2* A 15 H2* A 15 2.825 20.468 4.769 156 2HO* A 15 2HO* A 15 4.285 20.299 3.149 157 H1* A 15 H1* A 15 4.925 22.598 4.974 158 H8 A 15 H8 A 15 3.573 19.376 6.614 159 1H6 A 15 1H6 A 15 9.086 19.037 9.398 160 2H6 A 15 2H6 A 15 7.551 18.228 9.093 161 H2 A 15 H2 A 15 8.895 22.926 7.206 162 1H5* C 16 1H5* C 16 1.549 21.847 1.182 163 2H5* C 16 2H5* C 16 1.799 23.308 0.256 164 H4* C 16 H4* C 16 0.374 21.891 -0.953 165 H3* C 16 H3* C 16 -0.478 24.453 -0.620 166 H2* C 16 H2* C 16 -1.684 24.114 1.406 167 2HO* C 16 2HO* C 16 -3.254 23.883 -0.889 168 H1* C 16 H1* C 16 -2.972 21.638 0.319 169 1H4 C 16 1H4 C 16 -4.116 21.634 6.700 170 2H4 C 16 2H4 C 16 -2.412 21.383 7.034 171 H5 C 16 H5 C 16 -0.763 21.180 5.182 172 H6 C 16 H6 C 16 -0.398 21.391 2.854 173 1H5* G 17 1H5* G 17 0.003 21.094 -4.436 174 2H5* G 17 2H5* G 17 -0.060 20.849 -2.694 175 H4* G 17 H4* G 17 2.459 21.371 -4.356 176 H3* G 17 H3* G 17 1.371 18.922 -2.915 177 H2* G 17 H2* G 17 3.575 18.281 -2.464 178 2HO* G 17 2HO* G 17 3.977 18.966 -4.853 179 H1* G 17 H1* G 17 4.610 20.935 -2.348 180 H8 G 17 H8 G 17 5.860 20.027 -0.224 181 H1 G 17 H1 G 17 0.385 18.047 2.466 182 1H2 G 17 1H2 G 17 -1.283 18.165 1.032 183 2H2 G 17 2H2 G 17 -1.051 18.821 -0.579 184 1H5* G 18 1H5* G 18 3.559 16.686 -4.253 185 2H5* G 18 2H5* G 18 2.935 15.080 -4.650 186 H4* G 18 H4* G 18 4.195 15.579 -2.354 187 H3* G 18 H3* G 18 1.727 13.850 -2.599 188 H2* G 18 H2* G 18 1.953 13.436 -0.238 189 2HO* G 18 2HO* G 18 4.388 13.480 -0.556 190 H1* G 18 H1* G 18 2.456 16.036 0.451 191 H8 G 18 H8 G 18 -0.168 15.902 -2.319 192 H1 G 18 H1 G 18 -2.443 14.417 3.516 193 1H2 G 18 1H2 G 18 -0.716 14.005 4.903 194 2H2 G 18 2H2 G 18 0.946 14.263 4.397 195 1H5* U 19 1H5* U 19 4.675 11.740 -0.108 196 2H5* U 19 2H5* U 19 4.525 9.993 -0.302 197 H4* U 19 H4* U 19 4.165 10.941 2.038 198 H3* U 19 H3* U 19 2.013 9.188 0.807 199 H2* U 19 H2* U 19 0.956 9.297 2.977 200 2HO* U 19 2HO* U 19 2.992 9.180 4.119 201 H1* U 19 H1* U 19 1.267 11.979 3.279 202 H3 U 19 H3 U 19 -3.205 11.463 2.327 203 H5 U 19 H5 U 19 -1.256 11.640 -1.396 204 H6 U 19 H6 U 19 0.829 11.420 -0.276 205 1H5* A 20 1H5* A 20 3.544 7.124 4.402 206 2H5* A 20 2H5* A 20 3.291 5.371 4.294 207 H4* A 20 H4* A 20 2.030 6.505 6.142 208 H3* A 20 H3* A 20 0.285 5.117 4.047 209 H2* A 20 H2* A 20 -1.517 5.665 5.430 210 2HO* A 20 2HO* A 20 -1.318 6.560 7.433 211 H1* A 20 H1* A 20 -0.927 8.138 5.760 212 H8 A 20 H8 A 20 0.336 7.323 2.206 213 1H6 A 20 1H6 A 20 -5.280 8.895 0.282 214 2H6 A 20 2H6 A 20 -3.646 8.443 -0.140 215 H2 A 20 H2 A 20 -5.423 8.540 4.791 216 1H5* C 21 1H5* C 21 -1.230 4.284 7.609 217 2H5* C 21 2H5* C 21 -1.693 2.679 7.860 218 H4* C 21 H4* C 21 -3.586 4.176 8.192 219 H3* C 21 H3* C 21 -3.925 2.402 5.737 220 H2* C 21 H2* C 21 -6.114 3.360 5.557 221 2HO* C 21 2HO* C 21 -6.263 3.424 7.968 222 H1* C 21 H1* C 21 -5.247 5.929 5.862 223 1H4 C 21 1H4 C 21 -5.101 5.459 -0.372 224 2H4 C 21 2H4 C 21 -3.420 4.956 -0.357 225 H5 C 21 H5 C 21 -2.242 4.374 1.795 226 H6 C 21 H6 C 21 -2.474 4.300 4.163 227 1H5* C 22 1H5* C 22 -7.432 1.834 8.132 228 2H5* C 22 2H5* C 22 -8.021 0.161 8.033 229 H4* C 22 H4* C 22 -9.639 1.895 7.150 230 H3* C 22 H3* C 22 -8.589 -0.203 5.221 231 H2* C 22 H2* C 22 -10.080 0.721 3.599 232 2HO* C 22 2HO* C 22 -11.654 1.070 5.469 233 H1* C 22 H1* C 22 -9.572 3.354 4.247 234 1H4 C 22 1H4 C 22 -6.156 2.416 -0.950 235 2H4 C 22 2H4 C 22 -4.793 1.788 -0.051 236 H5 C 22 H5 C 22 -4.899 1.503 2.472 237 H6 C 22 H6 C 22 -6.340 1.629 4.374 238 1H5* U 23 1H5* U 23 -12.718 -0.340 4.386 239 2H5* U 23 2H5* U 23 -13.194 -2.024 4.117 240 H4* U 23 H4* U 23 -13.552 -0.573 2.129 241 H3* U 23 H3* U 23 -11.484 -2.770 1.813 242 H2* U 23 H2* U 23 -11.452 -2.162 -0.538 243 2HO* U 23 2HO* U 23 -13.779 -1.799 -0.567 244 H1* U 23 H1* U 23 -11.437 0.538 -0.053 245 H3 U 23 H3 U 23 -7.301 -0.292 -1.702 246 H5 U 23 H5 U 23 -7.122 -1.694 2.269 247 H6 U 23 H6 U 23 -9.488 -1.303 2.461 248 1H5* U 24 1H5* U 24 -14.664 -3.081 -1.335 249 2H5* U 24 2H5* U 24 -14.833 -4.772 -1.825 250 H4* U 24 H4* U 24 -14.280 -3.167 -3.701 251 H3* U 24 H3* U 24 -12.319 -5.406 -3.111 252 H2* U 24 H2* U 24 -11.235 -4.741 -5.177 253 2HO* U 24 2HO* U 24 -13.430 -4.304 -6.104 254 H1* U 24 H1* U 24 -11.403 -2.036 -4.610 255 H3 U 24 H3 U 24 -6.969 -2.919 -4.281 256 H5 U 24 H5 U 24 -8.568 -4.538 -0.763 257 H6 U 24 H6 U 24 -10.800 -4.155 -1.636 258 1H5* U 25 1H5* U 25 -13.413 -5.873 -7.281 259 2H5* U 25 2H5* U 25 -13.463 -7.598 -7.679 260 H4* U 25 H4* U 25 -11.862 -6.317 -9.082 261 H3* U 25 H3* U 25 -10.590 -8.394 -7.254 262 H2* U 25 H2* U 25 -8.574 -7.946 -8.447 263 2HO* U 25 2HO* U 25 -9.845 -7.733 -10.477 264 H1* U 25 H1* U 25 -8.887 -5.217 -8.387 265 H3 U 25 H3 U 25 -5.460 -6.112 -5.492 266 H5 U 25 H5 U 25 -8.923 -6.907 -3.283 267 H6 U 25 H6 U 25 -10.226 -6.681 -5.303 268 1H5* G 26 1H5* G 26 -9.553 -9.666 -11.222 269 2H5* G 26 2H5* G 26 -9.368 -11.429 -11.278 270 H4* G 26 H4* G 26 -7.285 -10.101 -11.792 271 H3* G 26 H3* G 26 -7.208 -11.975 -9.409 272 H2* G 26 H2* G 26 -4.848 -11.437 -9.268 273 2HO* G 26 2HO* G 26 -4.786 -11.381 -11.691 274 H1* G 26 H1* G 26 -5.225 -8.737 -9.597 275 H8 G 26 H8 G 26 -8.110 -9.780 -7.409 276 H1 G 26 H1 G 26 -2.459 -9.740 -4.340 277 1H2 G 26 1H2 G 26 -0.771 -9.798 -5.887 278 2H2 G 26 2H2 G 26 -1.128 -9.649 -7.603 279 1H5* U 27 1H5* U 27 -3.755 -13.005 -11.997 280 2H5* U 27 2H5* U 27 -3.432 -14.745 -11.910 281 H4* U 27 H4* U 27 -1.520 -13.197 -11.191 282 H3* U 27 H3* U 27 -2.549 -15.295 -9.256 283 H2* U 27 H2* U 27 -0.886 -14.574 -7.737 284 2HO* U 27 2HO* U 27 0.650 -14.371 -9.587 285 H1* U 27 H1* U 27 -1.132 -11.886 -8.217 286 H3 U 27 H3 U 27 -2.213 -12.936 -3.892 287 H5 U 27 H5 U 27 -5.770 -13.397 -6.098 288 H6 U 27 H6 U 27 -4.477 -13.234 -8.120 289 1H5* G 28 1H5* G 28 -0.068 -19.350 -9.235 290 2H5* G 28 2H5* G 28 -0.883 -18.977 -7.736 291 H4* G 28 H4* G 28 1.512 -17.750 -8.812 292 H3* G 28 H3* G 28 0.681 -19.044 -6.287 293 H2* G 28 H2* G 28 1.899 -17.554 -4.950 294 2HO* G 28 2HO* G 28 3.551 -17.563 -6.852 295 H1* G 28 H1* G 28 1.187 -15.236 -6.139 296 H8 G 28 H8 G 28 -1.977 -16.813 -6.912 297 H1 G 28 H1 G 28 -1.560 -15.653 -0.609 298 1H2 G 28 1H2 G 28 0.595 -15.298 -0.018 299 2H2 G 28 2H2 G 28 1.868 -15.268 -1.222 300 1H5* U 29 1H5* U 29 4.448 -18.702 -5.135 301 2H5* U 29 2H5* U 29 5.131 -20.268 -4.662 302 H4* U 29 H4* U 29 5.130 -18.739 -2.761 303 H3* U 29 H3* U 29 3.106 -20.995 -2.486 304 H2* U 29 H2* U 29 2.762 -20.243 -0.261 305 2HO* U 29 2HO* U 29 5.143 -19.661 -0.183 306 H1* U 29 H1* U 29 2.544 -17.612 -0.952 307 H3 U 29 H3 U 29 -1.789 -19.042 -0.134 308 H5 U 29 H5 U 29 -1.032 -19.930 -4.152 309 H6 U 29 H6 U 29 1.263 -19.384 -3.819 310 1H5* C 30 1H5* C 30 5.708 -21.261 0.754 311 2H5* C 30 2H5* C 30 6.030 -22.942 1.211 312 H4* C 30 H4* C 30 5.052 -21.608 3.032 313 H3* C 30 H3* C 30 3.282 -23.842 1.954 314 H2* C 30 H2* C 30 1.795 -23.389 3.771 315 2HO* C 30 2HO* C 30 3.720 -21.590 4.856 316 H1* C 30 H1* C 30 2.084 -20.614 3.609 317 1H4 C 30 1H4 C 30 -3.407 -21.768 0.744 318 2H4 C 30 2H4 C 30 -2.636 -22.098 -0.796 319 H5 C 30 H5 C 30 -0.119 -22.413 -0.944 320 H6 C 30 H6 C 30 1.935 -22.215 0.297 321 H3T C 30 HE C 30 4.424 -23.889 4.465 Start of MODEL 4 1 1H5* G 1 1H5* G 1 -11.267 -21.762 8.498 2 2H5* G 1 2H5* G 1 -11.353 -19.990 8.538 3 H4* G 1 H4* G 1 -9.161 -20.918 9.335 4 H3* G 1 H3* G 1 -9.049 -19.215 6.821 5 H2* G 1 H2* G 1 -6.653 -19.302 7.132 6 2HO* G 1 2HO* G 1 -6.910 -19.099 9.485 7 H1* G 1 H1* G 1 -6.646 -21.974 7.830 8 H8 G 1 H8 G 1 -8.941 -21.376 4.823 9 H1 G 1 H1 G 1 -2.684 -21.619 3.363 10 1H2 G 1 1H2 G 1 -1.462 -21.516 5.289 11 2H2 G 1 2H2 G 1 -2.250 -21.461 6.859 12 1H5* G 2 1H5* G 2 -6.361 -17.468 9.903 13 2H5* G 2 2H5* G 2 -6.212 -15.729 9.614 14 H4* G 2 H4* G 2 -4.010 -17.015 9.529 15 H3* G 2 H3* G 2 -4.840 -15.554 7.011 16 H2* G 2 H2* G 2 -2.604 -16.048 6.319 17 2HO* G 2 2HO* G 2 -1.772 -15.652 8.526 18 H1* G 2 H1* G 2 -2.650 -18.646 7.299 19 H8 G 2 H8 G 2 -5.911 -17.945 5.487 20 H1 G 2 H1 G 2 -0.833 -18.418 1.555 21 1H2 G 2 1H2 G 2 1.035 -18.424 2.729 22 2H2 G 2 2H2 G 2 1.022 -18.427 4.489 23 1H5* C 3 1H5* C 3 -1.098 -14.072 8.604 24 2H5* C 3 2H5* C 3 -0.715 -12.428 8.106 25 H4* C 3 H4* C 3 0.825 -14.430 7.394 26 H3* C 3 H3* C 3 -0.148 -12.347 5.393 27 H2* C 3 H2* C 3 1.078 -13.457 3.684 28 2HO* C 3 2HO* C 3 2.819 -13.844 5.350 29 H1* C 3 H1* C 3 0.437 -16.008 4.494 30 1H4 C 3 1H4 C 3 -3.656 -15.139 -0.217 31 2H4 C 3 2H4 C 3 -4.823 -14.432 0.880 32 H5 C 3 H5 C 3 -4.242 -13.829 3.245 33 H6 C 3 H6 C 3 -2.498 -13.914 4.893 34 1H5* A 4 1H5* A 4 1.928 -8.463 5.379 35 2H5* A 4 2H5* A 4 0.296 -8.631 4.726 36 H4* A 4 H4* A 4 2.690 -10.433 4.126 37 H3* A 4 H3* A 4 1.034 -8.466 2.489 38 H2* A 4 H2* A 4 1.623 -9.736 0.566 39 2HO* A 4 2HO* A 4 3.862 -9.876 1.556 40 H1* A 4 H1* A 4 1.542 -12.206 1.925 41 H8 A 4 H8 A 4 -1.658 -10.842 2.972 42 1H6 A 4 1H6 A 4 -4.053 -12.469 -2.480 43 2H6 A 4 2H6 A 4 -4.343 -11.942 -0.832 44 H2 A 4 H2 A 4 0.447 -12.549 -2.862 45 1H5* C 5 1H5* C 5 4.785 -7.564 0.499 46 2H5* C 5 2H5* C 5 4.697 -5.865 -0.001 47 H4* C 5 H4* C 5 4.665 -7.501 -1.898 48 H3* C 5 H3* C 5 2.135 -5.846 -1.567 49 H2* C 5 H2* C 5 1.455 -6.846 -3.645 50 2HO* C 5 2HO* C 5 3.801 -6.689 -4.351 51 H1* C 5 H1* C 5 2.336 -9.378 -2.990 52 1H4 C 5 1H4 C 5 -3.962 -9.060 -2.063 53 2H4 C 5 2H4 C 5 -3.770 -8.264 -0.515 54 H5 C 5 H5 C 5 -1.506 -7.602 0.371 55 H6 C 5 H6 C 5 0.849 -7.567 -0.143 56 1H5* U 6 1H5* U 6 3.126 -5.259 -5.621 57 2H5* U 6 2H5* U 6 2.723 -3.651 -6.227 58 H4* U 6 H4* U 6 1.562 -5.613 -7.346 59 H3* U 6 H3* U 6 -0.131 -3.424 -6.128 60 H2* U 6 H2* U 6 -2.083 -4.586 -6.854 61 2HO* U 6 2HO* U 6 -0.827 -5.188 -8.856 62 H1* U 6 H1* U 6 -1.248 -7.067 -6.132 63 H3 U 6 H3 U 6 -4.593 -5.920 -3.241 64 H5 U 6 H5 U 6 -0.981 -4.812 -1.388 65 H6 U 6 H6 U 6 0.133 -5.129 -3.459 66 1H5* C 7 1H5* C 7 -0.871 -2.766 -10.414 67 2H5* C 7 2H5* C 7 -1.016 -1.049 -10.842 68 H4* C 7 H4* C 7 -3.264 -2.265 -10.598 69 H3* C 7 H3* C 7 -2.652 -0.028 -8.636 70 H2* C 7 H2* C 7 -4.844 -0.332 -7.816 71 2HO* C 7 2HO* C 7 -5.935 -0.356 -9.793 72 H1* C 7 H1* C 7 -4.867 -3.127 -8.363 73 1H4 C 7 1H4 C 7 -4.845 -2.591 -2.060 74 2H4 C 7 2H4 C 7 -3.101 -2.419 -1.970 75 H5 C 7 H5 C 7 -1.703 -2.254 -4.139 76 H6 C 7 H6 C 7 -1.894 -2.137 -6.518 77 1H5* U 8 1H5* U 8 -6.442 0.686 -11.500 78 2H5* U 8 2H5* U 8 -6.609 2.450 -11.590 79 H4* U 8 H4* U 8 -8.756 1.267 -11.085 80 H3* U 8 H3* U 8 -7.697 3.156 -8.960 81 H2* U 8 H2* U 8 -9.797 2.782 -7.824 82 2HO* U 8 2HO* U 8 -10.904 2.778 -9.957 83 H1* U 8 H1* U 8 -9.824 0.065 -8.266 84 H3 U 8 H3 U 8 -9.147 0.423 -3.781 85 H5 U 8 H5 U 8 -5.361 1.114 -5.505 86 H6 U 8 H6 U 8 -6.421 1.266 -7.661 87 1H5* G 9 1H5* G 9 -11.861 4.591 -9.776 88 2H5* G 9 2H5* G 9 -11.894 6.334 -9.445 89 H4* G 9 H4* G 9 -13.421 4.941 -7.990 90 H3* G 9 H3* G 9 -11.250 6.542 -6.614 91 H2* G 9 H2* G 9 -12.220 5.792 -4.517 92 2HO* G 9 2HO* G 9 -14.409 5.948 -5.516 93 H1* G 9 H1* G 9 -12.438 3.187 -5.290 94 H8 G 9 H8 G 9 -9.187 4.601 -6.771 95 H1 G 9 H1 G 9 -8.843 3.030 -0.554 96 1H2 G 9 1H2 G 9 -10.947 2.872 0.294 97 2H2 G 9 2H2 G 9 -12.335 2.881 -0.786 98 1H5* G 10 1H5* G 10 -15.094 7.428 -4.493 99 2H5* G 10 2H5* G 10 -15.048 9.106 -3.929 100 H4* G 10 H4* G 10 -15.380 7.351 -2.126 101 H3* G 10 H3* G 10 -12.999 9.212 -1.933 102 H2* G 10 H2* G 10 -12.547 8.195 0.216 103 2HO* G 10 2HO* G 10 -14.932 8.084 0.595 104 H1* G 10 H1* G 10 -12.964 5.626 -0.640 105 H8 G 10 H8 G 10 -11.136 7.352 -3.480 106 H1 G 10 H1 G 10 -7.385 5.846 1.517 107 1H2 G 10 1H2 G 10 -8.689 5.529 3.362 108 2H2 G 10 2H2 G 10 -10.445 5.492 3.221 109 1H5* U 11 1H5* U 11 -14.973 9.378 2.071 110 2H5* U 11 2H5* U 11 -14.836 11.042 2.671 111 H4* U 11 H4* U 11 -13.721 9.316 4.180 112 H3* U 11 H3* U 11 -11.927 11.437 3.018 113 H2* U 11 H2* U 11 -10.288 10.466 4.505 114 2HO* U 11 2HO* U 11 -11.810 10.117 6.226 115 H1* U 11 H1* U 11 -10.861 7.887 3.846 116 H3 U 11 H3 U 11 -6.781 9.019 2.154 117 H5 U 11 H5 U 11 -9.565 10.353 -0.721 118 H6 U 11 H6 U 11 -11.319 9.915 0.852 119 1H5* A 12 1H5* A 12 -12.913 12.640 7.337 120 2H5* A 12 2H5* A 12 -12.320 14.254 7.763 121 H4* A 12 H4* A 12 -10.921 12.239 8.528 122 H3* A 12 H3* A 12 -9.625 14.428 6.914 123 H2* A 12 H2* A 12 -7.561 13.288 7.290 124 2HO* A 12 2HO* A 12 -7.940 12.806 9.495 125 H1* A 12 H1* A 12 -8.639 10.734 6.795 126 H8 A 12 H8 A 12 -10.109 13.167 4.381 127 1H6 A 12 1H6 A 12 -5.099 12.299 0.869 128 2H6 A 12 2H6 A 12 -6.761 12.863 0.938 129 H2 A 12 H2 A 12 -4.123 10.918 5.029 130 1H5* U 13 1H5* U 13 -6.271 15.777 11.206 131 2H5* U 13 2H5* U 13 -6.326 16.427 9.568 132 H4* U 13 H4* U 13 -4.730 14.096 10.625 133 H3* U 13 H3* U 13 -4.380 16.485 8.801 134 H2* U 13 H2* U 13 -2.660 15.442 7.597 135 2HO* U 13 2HO* U 13 -1.722 13.500 8.250 136 H1* U 13 H1* U 13 -3.948 13.036 7.350 137 H3 U 13 H3 U 13 -4.525 14.723 3.190 138 H5 U 13 H5 U 13 -7.737 16.154 5.522 139 H6 U 13 H6 U 13 -6.493 15.564 7.488 140 1H5* C 14 1H5* C 14 -0.657 16.135 9.512 141 2H5* C 14 2H5* C 14 0.106 17.651 10.038 142 H4* C 14 H4* C 14 1.163 16.994 7.989 143 H3* C 14 H3* C 14 -0.842 19.169 7.395 144 H2* C 14 H2* C 14 0.199 19.176 5.161 145 2HO* C 14 2HO* C 14 1.965 17.835 4.715 146 H1* C 14 H1* C 14 -0.074 16.491 4.939 147 1H4 C 14 1H4 C 14 -5.652 18.705 2.800 148 2H4 C 14 2H4 C 14 -6.297 18.840 4.422 149 H5 C 14 H5 C 14 -4.890 18.364 6.439 150 H6 C 14 H6 C 14 -2.707 17.752 7.168 151 1H5* A 15 1H5* A 15 0.497 22.474 6.003 152 2H5* A 15 2H5* A 15 1.436 20.987 5.751 153 H4* A 15 H4* A 15 2.129 23.839 5.171 154 H3* A 15 H3* A 15 1.476 21.743 3.574 155 H2* A 15 H2* A 15 2.989 20.149 4.398 156 2HO* A 15 2HO* A 15 3.991 21.587 2.249 157 H1* A 15 H1* A 15 5.200 22.134 4.411 158 H8 A 15 H8 A 15 3.375 19.654 6.756 159 1H6 A 15 1H6 A 15 9.053 18.169 8.737 160 2H6 A 15 2H6 A 15 7.327 17.835 8.864 161 H2 A 15 H2 A 15 9.457 21.428 5.704 162 1H5* C 16 1H5* C 16 1.706 21.275 0.462 163 2H5* C 16 2H5* C 16 1.649 22.713 -0.531 164 H4* C 16 H4* C 16 0.166 21.004 -1.304 165 H3* C 16 H3* C 16 -0.607 23.652 -1.167 166 H2* C 16 H2* C 16 -1.577 23.530 1.012 167 2HO* C 16 2HO* C 16 -3.431 23.107 -1.042 168 H1* C 16 H1* C 16 -2.982 20.963 0.257 169 1H4 C 16 1H4 C 16 -3.856 21.562 6.645 170 2H4 C 16 2H4 C 16 -2.129 21.385 6.922 171 H5 C 16 H5 C 16 -0.553 21.071 5.025 172 H6 C 16 H6 C 16 -0.296 21.062 2.677 173 1H5* G 17 1H5* G 17 0.882 21.687 -5.058 174 2H5* G 17 2H5* G 17 0.116 20.081 -5.075 175 H4* G 17 H4* G 17 2.739 20.459 -4.927 176 H3* G 17 H3* G 17 1.236 18.299 -3.416 177 H2* G 17 H2* G 17 3.409 17.533 -2.820 178 2HO* G 17 2HO* G 17 3.970 17.990 -5.209 179 H1* G 17 H1* G 17 4.555 20.154 -2.867 180 H8 G 17 H8 G 17 5.776 19.414 -0.710 181 H1 G 17 H1 G 17 0.337 17.667 2.178 182 1H2 G 17 1H2 G 17 -1.344 17.630 0.718 183 2H2 G 17 2H2 G 17 -1.118 18.136 -0.947 184 1H5* G 18 1H5* G 18 3.444 15.871 -4.560 185 2H5* G 18 2H5* G 18 2.765 14.291 -4.918 186 H4* G 18 H4* G 18 4.049 14.837 -2.637 187 H3* G 18 H3* G 18 1.566 13.112 -2.774 188 H2* G 18 H2* G 18 1.882 12.788 -0.397 189 2HO* G 18 2HO* G 18 4.299 12.822 -0.816 190 H1* G 18 H1* G 18 2.396 15.415 0.159 191 H8 G 18 H8 G 18 -0.320 15.124 -2.518 192 H1 G 18 H1 G 18 -2.397 14.211 3.509 193 1H2 G 18 1H2 G 18 -0.622 13.903 4.867 194 2H2 G 18 2H2 G 18 1.023 14.057 4.270 195 1H5* U 19 1H5* U 19 4.570 11.087 -0.258 196 2H5* U 19 2H5* U 19 4.385 9.337 -0.363 197 H4* U 19 H4* U 19 4.097 10.375 1.937 198 H3* U 19 H3* U 19 1.842 8.673 0.825 199 H2* U 19 H2* U 19 0.854 8.891 3.021 200 2HO* U 19 2HO* U 19 2.969 8.747 4.064 201 H1* U 19 H1* U 19 1.276 11.571 3.207 202 H3 U 19 H3 U 19 -3.222 11.294 2.384 203 H5 U 19 H5 U 19 -1.388 11.056 -1.394 204 H6 U 19 H6 U 19 0.718 10.777 -0.310 205 1H5* A 20 1H5* A 20 3.298 6.686 4.454 206 2H5* A 20 2H5* A 20 3.004 4.937 4.369 207 H4* A 20 H4* A 20 1.803 6.102 6.213 208 H3* A 20 H3* A 20 0.000 4.743 4.147 209 H2* A 20 H2* A 20 -1.775 5.336 5.575 210 2HO* A 20 2HO* A 20 -0.235 5.124 7.508 211 H1* A 20 H1* A 20 -1.126 7.784 5.920 212 H8 A 20 H8 A 20 0.078 6.987 2.338 213 1H6 A 20 1H6 A 20 -5.502 8.768 0.461 214 2H6 A 20 2H6 A 20 -3.875 8.306 0.026 215 H2 A 20 H2 A 20 -5.638 8.310 4.962 216 1H5* C 21 1H5* C 21 -1.550 3.942 7.738 217 2H5* C 21 2H5* C 21 -1.983 2.325 7.991 218 H4* C 21 H4* C 21 -3.897 3.797 8.316 219 H3* C 21 H3* C 21 -4.220 2.074 5.821 220 H2* C 21 H2* C 21 -6.396 3.066 5.632 221 2HO* C 21 2HO* C 21 -6.571 3.057 8.044 222 H1* C 21 H1* C 21 -5.497 5.618 6.043 223 1H4 C 21 1H4 C 21 -5.361 5.419 -0.199 224 2H4 C 21 2H4 C 21 -3.693 4.875 -0.211 225 H5 C 21 H5 C 21 -2.529 4.156 1.913 226 H6 C 21 H6 C 21 -2.768 3.981 4.279 227 1H5* C 22 1H5* C 22 -7.787 1.433 8.162 228 2H5* C 22 2H5* C 22 -8.382 -0.228 7.959 229 H4* C 22 H4* C 22 -9.971 1.563 7.141 230 H3* C 22 H3* C 22 -8.906 -0.437 5.117 231 H2* C 22 H2* C 22 -10.362 0.586 3.524 232 2HO* C 22 2HO* C 22 -11.965 0.862 5.376 233 H1* C 22 H1* C 22 -9.823 3.173 4.307 234 1H4 C 22 1H4 C 22 -6.296 2.413 -0.846 235 2H4 C 22 2H4 C 22 -4.959 1.740 0.066 236 H5 C 22 H5 C 22 -5.146 1.300 2.553 237 H6 C 22 H6 C 22 -6.632 1.366 4.424 238 1H5* U 23 1H5* U 23 -13.012 -0.463 4.180 239 2H5* U 23 2H5* U 23 -13.517 -2.122 3.818 240 H4* U 23 H4* U 23 -13.800 -0.557 1.901 241 H3* U 23 H3* U 23 -11.796 -2.801 1.513 242 H2* U 23 H2* U 23 -11.696 -2.073 -0.804 243 2HO* U 23 2HO* U 23 -13.993 -1.631 -0.900 244 H1* U 23 H1* U 23 -11.599 0.582 -0.185 245 H3 U 23 H3 U 23 -7.448 -0.221 -1.763 246 H5 U 23 H5 U 23 -7.389 -1.837 2.128 247 H6 U 23 H6 U 23 -9.756 -1.426 2.280 248 1H5* U 24 1H5* U 24 -14.937 -2.871 -1.713 249 2H5* U 24 2H5* U 24 -15.119 -4.529 -2.308 250 H4* U 24 H4* U 24 -14.492 -2.835 -4.076 251 H3* U 24 H3* U 24 -12.560 -5.116 -3.554 252 H2* U 24 H2* U 24 -11.406 -4.335 -5.540 253 2HO* U 24 2HO* U 24 -13.570 -3.798 -6.505 254 H1* U 24 H1* U 24 -11.544 -1.682 -4.807 255 H3 U 24 H3 U 24 -7.152 -2.687 -4.349 256 H5 U 24 H5 U 24 -8.937 -4.397 -0.959 257 H6 U 24 H6 U 24 -11.114 -3.949 -1.920 258 1H5* U 25 1H5* U 25 -13.318 -5.262 -7.784 259 2H5* U 25 2H5* U 25 -13.324 -6.954 -8.308 260 H4* U 25 H4* U 25 -11.605 -5.591 -9.470 261 H3* U 25 H3* U 25 -10.486 -7.757 -7.650 262 H2* U 25 H2* U 25 -8.403 -7.277 -8.662 263 2HO* U 25 2HO* U 25 -8.161 -6.050 -10.446 264 H1* U 25 H1* U 25 -8.720 -4.545 -8.456 265 H3 U 25 H3 U 25 -5.468 -5.800 -5.483 266 H5 U 25 H5 U 25 -9.069 -6.647 -3.520 267 H6 U 25 H6 U 25 -10.259 -6.191 -5.578 268 1H5* G 26 1H5* G 26 -9.113 -8.563 -11.533 269 2H5* G 26 2H5* G 26 -8.910 -10.296 -11.860 270 H4* G 26 H4* G 26 -6.800 -8.934 -12.050 271 H3* G 26 H3* G 26 -6.898 -11.130 -9.965 272 H2* G 26 H2* G 26 -4.569 -10.644 -9.516 273 2HO* G 26 2HO* G 26 -4.330 -10.200 -11.914 274 H1* G 26 H1* G 26 -4.914 -7.915 -9.488 275 H8 G 26 H8 G 26 -7.997 -9.141 -7.716 276 H1 G 26 H1 G 26 -2.628 -9.578 -4.200 277 1H2 G 26 1H2 G 26 -0.811 -9.588 -5.608 278 2H2 G 26 2H2 G 26 -1.030 -9.310 -7.330 279 1H5* U 27 1H5* U 27 -3.184 -11.704 -12.227 280 2H5* U 27 2H5* U 27 -2.937 -13.434 -12.515 281 H4* U 27 H4* U 27 -1.028 -12.311 -11.297 282 H3* U 27 H3* U 27 -2.523 -14.552 -9.914 283 H2* U 27 H2* U 27 -0.926 -14.367 -8.156 284 2HO* U 27 2HO* U 27 0.855 -14.138 -9.694 285 H1* U 27 H1* U 27 -0.743 -11.600 -8.209 286 H3 U 27 H3 U 27 -2.355 -12.685 -4.087 287 H5 U 27 H5 U 27 -5.688 -12.943 -6.659 288 H6 U 27 H6 U 27 -4.206 -12.688 -8.538 289 1H5* G 28 1H5* G 28 0.108 -18.526 -9.134 290 2H5* G 28 2H5* G 28 -0.731 -17.966 -7.702 291 H4* G 28 H4* G 28 1.842 -17.039 -8.666 292 H3* G 28 H3* G 28 0.808 -18.381 -6.253 293 H2* G 28 H2* G 28 2.112 -17.102 -4.791 294 2HO* G 28 2HO* G 28 3.722 -15.670 -5.478 295 H1* G 28 H1* G 28 1.557 -14.667 -5.819 296 H8 G 28 H8 G 28 -1.661 -16.014 -6.803 297 H1 G 28 H1 G 28 -1.238 -15.576 -0.406 298 1H2 G 28 1H2 G 28 0.939 -15.330 0.206 299 2H2 G 28 2H2 G 28 2.193 -15.149 -1.010 300 1H5* U 29 1H5* U 29 4.550 -18.414 -5.097 301 2H5* U 29 2H5* U 29 5.170 -20.027 -4.697 302 H4* U 29 H4* U 29 5.277 -18.527 -2.752 303 H3* U 29 H3* U 29 3.278 -20.807 -2.510 304 H2* U 29 H2* U 29 2.907 -20.138 -0.269 305 2HO* U 29 2HO* U 29 5.297 -19.523 -0.197 306 H1* U 29 H1* U 29 2.684 -17.482 -0.838 307 H3 U 29 H3 U 29 -1.647 -18.935 -0.094 308 H5 U 29 H5 U 29 -0.939 -19.386 -4.199 309 H6 U 29 H6 U 29 1.356 -18.920 -3.834 310 1H5* C 30 1H5* C 30 5.785 -21.118 0.766 311 2H5* C 30 2H5* C 30 6.219 -22.802 1.110 312 H4* C 30 H4* C 30 5.104 -21.703 3.010 313 H3* C 30 H3* C 30 3.500 -23.914 1.661 314 H2* C 30 H2* C 30 1.953 -23.737 3.474 315 2HO* C 30 2HO* C 30 4.023 -23.344 4.867 316 H1* C 30 H1* C 30 2.155 -20.947 3.637 317 1H4 C 30 1H4 C 30 -3.321 -21.659 0.640 318 2H4 C 30 2H4 C 30 -2.544 -21.807 -0.924 319 H5 C 30 H5 C 30 -0.030 -22.170 -1.101 320 H6 C 30 H6 C 30 2.017 -22.141 0.162 321 H3T C 30 HE C 30 4.478 -25.193 3.149 Start of MODEL 5 1 1H5* G 1 1H5* G 1 -11.436 -22.223 8.515 2 2H5* G 1 2H5* G 1 -11.468 -20.451 8.586 3 H4* G 1 H4* G 1 -9.401 -21.347 9.578 4 H3* G 1 H3* G 1 -9.026 -19.804 7.000 5 H2* G 1 H2* G 1 -6.659 -19.981 7.426 6 2HO* G 1 2HO* G 1 -7.132 -19.737 9.801 7 H1* G 1 H1* G 1 -6.734 -22.613 8.113 8 H8 G 1 H8 G 1 -9.228 -22.144 5.276 9 H1 G 1 H1 G 1 -3.093 -22.155 3.349 10 1H2 G 1 1H2 G 1 -1.736 -21.977 5.176 11 2H2 G 1 2H2 G 1 -2.408 -21.940 6.802 12 1H5* G 2 1H5* G 2 -6.304 -18.097 9.906 13 2H5* G 2 2H5* G 2 -6.170 -16.355 9.630 14 H4* G 2 H4* G 2 -3.968 -17.605 9.428 15 H3* G 2 H3* G 2 -4.950 -16.179 6.945 16 H2* G 2 H2* G 2 -2.752 -16.633 6.147 17 2HO* G 2 2HO* G 2 -1.853 -16.217 8.350 18 H1* G 2 H1* G 2 -2.698 -19.228 7.122 19 H8 G 2 H8 G 2 -6.090 -18.663 5.554 20 H1 G 2 H1 G 2 -1.293 -18.936 1.251 21 1H2 G 2 1H2 G 2 0.661 -18.873 2.301 22 2H2 G 2 2H2 G 2 0.762 -18.846 4.058 23 1H5* C 3 1H5* C 3 -1.244 -14.631 8.310 24 2H5* C 3 2H5* C 3 -0.906 -12.963 7.872 25 H4* C 3 H4* C 3 0.621 -14.851 6.977 26 H3* C 3 H3* C 3 -0.625 -12.805 5.077 27 H2* C 3 H2* C 3 0.581 -13.807 3.290 28 2HO* C 3 2HO* C 3 2.466 -14.023 4.780 29 H1* C 3 H1* C 3 0.189 -16.408 4.120 30 1H4 C 3 1H4 C 3 -4.141 -15.604 -0.429 31 2H4 C 3 2H4 C 3 -5.291 -14.957 0.720 32 H5 C 3 H5 C 3 -4.659 -14.462 3.096 33 H6 C 3 H6 C 3 -2.866 -14.542 4.685 34 1H5* A 4 1H5* A 4 1.598 -8.802 4.249 35 2H5* A 4 2H5* A 4 0.437 -9.413 3.073 36 H4* A 4 H4* A 4 3.188 -10.492 3.755 37 H3* A 4 H3* A 4 1.809 -9.281 1.391 38 H2* A 4 H2* A 4 2.530 -10.842 -0.190 39 2HO* A 4 2HO* A 4 4.675 -10.760 1.114 40 H1* A 4 H1* A 4 2.257 -13.103 1.268 41 H8 A 4 H8 A 4 -0.663 -11.518 2.753 42 1H6 A 4 1H6 A 4 -3.831 -13.037 -2.328 43 2H6 A 4 2H6 A 4 -3.889 -12.504 -0.659 44 H2 A 4 H2 A 4 0.555 -13.343 -3.302 45 1H5* C 5 1H5* C 5 5.373 -8.332 -0.333 46 2H5* C 5 2H5* C 5 5.308 -6.650 -0.895 47 H4* C 5 H4* C 5 5.078 -8.334 -2.729 48 H3* C 5 H3* C 5 2.634 -6.604 -2.222 49 H2* C 5 H2* C 5 1.724 -7.630 -4.203 50 2HO* C 5 2HO* C 5 3.992 -7.558 -5.130 51 H1* C 5 H1* C 5 2.582 -10.176 -3.568 52 1H4 C 5 1H4 C 5 -3.568 -9.569 -2.040 53 2H4 C 5 2H4 C 5 -3.203 -8.737 -0.541 54 H5 C 5 H5 C 5 -0.820 -8.253 0.154 55 H6 C 5 H6 C 5 1.465 -8.301 -0.607 56 1H5* U 6 1H5* U 6 3.290 -6.098 -6.329 57 2H5* U 6 2H5* U 6 2.948 -4.465 -6.908 58 H4* U 6 H4* U 6 1.552 -6.301 -7.939 59 H3* U 6 H3* U 6 0.125 -4.077 -6.467 60 H2* U 6 H2* U 6 -1.957 -5.110 -7.033 61 2HO* U 6 2HO* U 6 -0.983 -5.665 -9.179 62 H1* U 6 H1* U 6 -1.182 -7.658 -6.509 63 H3 U 6 H3 U 6 -4.205 -6.444 -3.295 64 H5 U 6 H5 U 6 -0.403 -5.506 -1.752 65 H6 U 6 H6 U 6 0.512 -5.823 -3.926 66 1H5* C 7 1H5* C 7 -0.739 -3.229 -10.777 67 2H5* C 7 2H5* C 7 -0.916 -1.506 -11.160 68 H4* C 7 H4* C 7 -3.129 -2.702 -10.720 69 H3* C 7 H3* C 7 -2.311 -0.494 -8.803 70 H2* C 7 H2* C 7 -4.450 -0.746 -7.827 71 2HO* C 7 2HO* C 7 -5.675 -0.742 -9.728 72 H1* C 7 H1* C 7 -4.574 -3.544 -8.376 73 1H4 C 7 1H4 C 7 -4.166 -3.191 -2.112 74 2H4 C 7 2H4 C 7 -2.415 -3.031 -2.115 75 H5 C 7 H5 C 7 -1.150 -2.793 -4.355 76 H6 C 7 H6 C 7 -1.481 -2.586 -6.717 77 1H5* U 8 1H5* U 8 -6.196 0.193 -11.448 78 2H5* U 8 2H5* U 8 -6.357 1.950 -11.625 79 H4* U 8 H4* U 8 -8.498 0.824 -10.997 80 H3* U 8 H3* U 8 -7.331 2.790 -8.999 81 H2* U 8 H2* U 8 -9.400 2.522 -7.786 82 2HO* U 8 2HO* U 8 -10.561 2.435 -9.895 83 H1* U 8 H1* U 8 -9.506 -0.214 -8.097 84 H3 U 8 H3 U 8 -8.701 0.398 -3.636 85 H5 U 8 H5 U 8 -4.943 0.782 -5.499 86 H6 U 8 H6 U 8 -6.048 0.846 -7.634 87 1H5* G 9 1H5* G 9 -11.445 4.228 -9.807 88 2H5* G 9 2H5* G 9 -11.470 5.988 -9.590 89 H4* G 9 H4* G 9 -12.972 4.716 -8.017 90 H3* G 9 H3* G 9 -10.735 6.351 -6.791 91 H2* G 9 H2* G 9 -11.696 5.768 -4.639 92 2HO* G 9 2HO* G 9 -13.894 5.906 -5.629 93 H1* G 9 H1* G 9 -11.989 3.122 -5.235 94 H8 G 9 H8 G 9 -8.730 4.374 -6.833 95 H1 G 9 H1 G 9 -8.321 3.151 -0.538 96 1H2 G 9 1H2 G 9 -10.416 3.047 0.345 97 2H2 G 9 2H2 G 9 -11.815 3.003 -0.718 98 1H5* G 10 1H5* G 10 -14.536 7.455 -4.780 99 2H5* G 10 2H5* G 10 -14.467 9.142 -4.253 100 H4* G 10 H4* G 10 -14.844 7.404 -2.428 101 H3* G 10 H3* G 10 -12.489 9.293 -2.223 102 H2* G 10 H2* G 10 -12.080 8.322 -0.041 103 2HO* G 10 2HO* G 10 -14.487 8.187 0.253 104 H1* G 10 H1* G 10 -12.446 5.733 -0.849 105 H8 G 10 H8 G 10 -10.570 7.363 -3.700 106 H1 G 10 H1 G 10 -6.907 6.091 1.428 107 1H2 G 10 1H2 G 10 -8.241 5.840 3.257 108 2H2 G 10 2H2 G 10 -9.992 5.766 3.084 109 1H5* U 11 1H5* U 11 -14.650 9.490 1.658 110 2H5* U 11 2H5* U 11 -14.555 11.148 2.279 111 H4* U 11 H4* U 11 -13.516 9.400 3.812 112 H3* U 11 H3* U 11 -11.683 11.573 2.796 113 H2* U 11 H2* U 11 -10.104 10.605 4.339 114 2HO* U 11 2HO* U 11 -11.749 10.193 5.952 115 H1* U 11 H1* U 11 -10.581 8.033 3.600 116 H3 U 11 H3 U 11 -6.459 9.305 2.104 117 H5 U 11 H5 U 11 -9.159 10.566 -0.879 118 H6 U 11 H6 U 11 -10.961 10.090 0.620 119 1H5* A 12 1H5* A 12 -13.048 12.736 7.042 120 2H5* A 12 2H5* A 12 -12.533 14.362 7.510 121 H4* A 12 H4* A 12 -11.075 12.415 8.299 122 H3* A 12 H3* A 12 -9.831 14.659 6.723 123 H2* A 12 H2* A 12 -7.725 13.612 7.199 124 2HO* A 12 2HO* A 12 -8.193 13.126 9.390 125 H1* A 12 H1* A 12 -8.643 11.026 6.681 126 H8 A 12 H8 A 12 -10.130 13.365 4.178 127 1H6 A 12 1H6 A 12 -4.940 12.674 0.884 128 2H6 A 12 2H6 A 12 -6.623 13.179 0.877 129 H2 A 12 H2 A 12 -4.086 11.372 5.093 130 1H5* U 13 1H5* U 13 -6.691 16.204 11.077 131 2H5* U 13 2H5* U 13 -6.719 16.771 9.410 132 H4* U 13 H4* U 13 -5.117 14.503 10.606 133 H3* U 13 H3* U 13 -4.735 16.900 8.802 134 H2* U 13 H2* U 13 -2.951 15.920 7.661 135 2HO* U 13 2HO* U 13 -1.965 14.011 8.348 136 H1* U 13 H1* U 13 -4.132 13.463 7.368 137 H3 U 13 H3 U 13 -4.538 15.172 3.185 138 H5 U 13 H5 U 13 -7.948 16.409 5.336 139 H6 U 13 H6 U 13 -6.790 15.860 7.364 140 1H5* C 14 1H5* C 14 -1.088 16.742 9.632 141 2H5* C 14 2H5* C 14 -0.434 18.286 10.215 142 H4* C 14 H4* C 14 0.718 17.790 8.194 143 H3* C 14 H3* C 14 -1.486 19.740 7.516 144 H2* C 14 H2* C 14 -0.313 19.892 5.357 145 2HO* C 14 2HO* C 14 1.585 18.812 4.982 146 H1* C 14 H1* C 14 -0.363 17.200 5.098 147 1H4 C 14 1H4 C 14 -5.994 19.170 2.813 148 2H4 C 14 2H4 C 14 -6.699 19.216 4.415 149 H5 C 14 H5 C 14 -5.349 18.701 6.461 150 H6 C 14 H6 C 14 -3.170 18.174 7.251 151 1H5* A 15 1H5* A 15 -0.521 23.144 6.137 152 2H5* A 15 2H5* A 15 0.646 21.818 5.959 153 H4* A 15 H4* A 15 0.941 24.748 5.427 154 H3* A 15 H3* A 15 0.808 22.616 3.740 155 H2* A 15 H2* A 15 2.400 21.241 4.774 156 2HO* A 15 2HO* A 15 3.381 21.294 2.761 157 H1* A 15 H1* A 15 4.298 23.501 5.017 158 H8 A 15 H8 A 15 2.635 20.678 7.072 159 1H6 A 15 1H6 A 15 8.067 20.280 10.010 160 2H6 A 15 2H6 A 15 6.451 19.603 9.827 161 H2 A 15 H2 A 15 8.311 23.684 7.125 162 1H5* C 16 1H5* C 16 1.150 22.380 0.791 163 2H5* C 16 2H5* C 16 1.172 23.824 -0.198 164 H4* C 16 H4* C 16 -0.162 22.146 -1.228 165 H3* C 16 H3* C 16 -1.202 24.662 -1.077 166 H2* C 16 H2* C 16 -2.253 24.365 1.044 167 2HO* C 16 2HO* C 16 -4.560 23.784 0.513 168 H1* C 16 H1* C 16 -3.378 21.717 0.156 169 1H4 C 16 1H4 C 16 -4.653 22.078 6.480 170 2H4 C 16 2H4 C 16 -2.954 21.861 6.854 171 H5 C 16 H5 C 16 -1.269 21.616 5.042 172 H6 C 16 H6 C 16 -0.835 21.778 2.731 173 1H5* G 17 1H5* G 17 -0.527 21.097 -4.690 174 2H5* G 17 2H5* G 17 -0.541 20.963 -2.930 175 H4* G 17 H4* G 17 1.895 21.602 -4.676 176 H3* G 17 H3* G 17 1.040 19.171 -3.066 177 H2* G 17 H2* G 17 3.274 18.774 -2.511 178 2HO* G 17 2HO* G 17 3.679 19.314 -4.944 179 H1* G 17 H1* G 17 4.084 21.500 -2.590 180 H8 G 17 H8 G 17 5.291 20.999 -0.321 181 H1 G 17 H1 G 17 -0.050 18.660 2.332 182 1H2 G 17 1H2 G 17 -1.653 18.426 0.810 183 2H2 G 17 2H2 G 17 -1.404 18.931 -0.849 184 1H5* G 18 1H5* G 18 3.543 17.076 -4.148 185 2H5* G 18 2H5* G 18 3.092 15.399 -4.478 186 H4* G 18 H4* G 18 4.247 16.085 -2.194 187 H3* G 18 H3* G 18 1.893 14.197 -2.376 188 H2* G 18 H2* G 18 2.111 13.915 0.006 189 2HO* G 18 2HO* G 18 4.544 14.102 -0.298 190 H1* G 18 H1* G 18 2.431 16.585 0.555 191 H8 G 18 H8 G 18 -0.121 16.119 -2.242 192 H1 G 18 H1 G 18 -2.420 14.735 3.609 193 1H2 G 18 1H2 G 18 -0.701 14.507 5.047 194 2H2 G 18 2H2 G 18 0.951 14.859 4.565 195 1H5* U 19 1H5* U 19 4.832 12.344 0.274 196 2H5* U 19 2H5* U 19 4.789 10.588 0.110 197 H4* U 19 H4* U 19 4.299 11.518 2.414 198 H3* U 19 H3* U 19 2.220 9.706 1.134 199 H2* U 19 H2* U 19 1.122 9.790 3.284 200 2HO* U 19 2HO* U 19 3.160 9.748 4.448 201 H1* U 19 H1* U 19 1.332 12.480 3.560 202 H3 U 19 H3 U 19 -3.081 11.715 2.468 203 H5 U 19 H5 U 19 -1.019 12.002 -1.191 204 H6 U 19 H6 U 19 1.034 11.912 -0.002 205 1H5* A 20 1H5* A 20 3.687 7.687 4.755 206 2H5* A 20 2H5* A 20 3.493 5.930 4.641 207 H4* A 20 H4* A 20 2.182 7.023 6.461 208 H3* A 20 H3* A 20 0.489 5.573 4.359 209 H2* A 20 H2* A 20 -1.336 6.079 5.760 210 2HO* A 20 2HO* A 20 0.189 5.965 7.722 211 H1* A 20 H1* A 20 -0.832 8.567 6.076 212 H8 A 20 H8 A 20 0.538 7.850 2.543 213 1H6 A 20 1H6 A 20 -5.105 9.050 0.448 214 2H6 A 20 2H6 A 20 -3.434 8.699 0.083 215 H2 A 20 H2 A 20 -5.353 8.746 4.960 216 1H5* C 21 1H5* C 21 -1.126 4.713 7.892 217 2H5* C 21 2H5* C 21 -1.518 3.079 8.128 218 H4* C 21 H4* C 21 -3.473 4.509 8.391 219 H3* C 21 H3* C 21 -3.690 2.731 5.922 220 H2* C 21 H2* C 21 -5.907 3.622 5.714 221 2HO* C 21 2HO* C 21 -6.110 3.677 8.115 222 H1* C 21 H1* C 21 -5.113 6.209 6.023 223 1H4 C 21 1H4 C 21 -4.841 5.617 -0.208 224 2H4 C 21 2H4 C 21 -3.141 5.188 -0.155 225 H5 C 21 H5 C 21 -1.971 4.723 2.036 226 H6 C 21 H6 C 21 -2.251 4.690 4.406 227 1H5* C 22 1H5* C 22 -7.218 2.050 8.305 228 2H5* C 22 2H5* C 22 -7.788 0.374 8.166 229 H4* C 22 H4* C 22 -9.415 2.122 7.317 230 H3* C 22 H3* C 22 -8.366 0.047 5.365 231 H2* C 22 H2* C 22 -9.871 0.985 3.754 232 2HO* C 22 2HO* C 22 -11.429 1.340 5.631 233 H1* C 22 H1* C 22 -9.321 3.605 4.389 234 1H4 C 22 1H4 C 22 -5.866 2.562 -0.763 235 2H4 C 22 2H4 C 22 -4.510 1.955 0.158 236 H5 C 22 H5 C 22 -4.636 1.733 2.690 237 H6 C 22 H6 C 22 -6.091 1.894 4.571 238 1H5* U 23 1H5* U 23 -12.460 -0.041 4.437 239 2H5* U 23 2H5* U 23 -12.959 -1.721 4.186 240 H4* U 23 H4* U 23 -13.260 -0.295 2.170 241 H3* U 23 H3* U 23 -11.226 -2.534 1.923 242 H2* U 23 H2* U 23 -11.159 -1.968 -0.440 243 2HO* U 23 2HO* U 23 -13.494 -1.544 -0.457 244 H1* U 23 H1* U 23 -11.100 0.736 0.003 245 H3 U 23 H3 U 23 -6.968 -0.190 -1.597 246 H5 U 23 H5 U 23 -6.835 -1.482 2.414 247 H6 U 23 H6 U 23 -9.198 -1.056 2.577 248 1H5* U 24 1H5* U 24 -14.358 -2.814 -1.251 249 2H5* U 24 2H5* U 24 -14.562 -4.498 -1.748 250 H4* U 24 H4* U 24 -13.945 -2.882 -3.603 251 H3* U 24 H3* U 24 -12.088 -5.211 -3.028 252 H2* U 24 H2* U 24 -10.962 -4.566 -5.080 253 2HO* U 24 2HO* U 24 -13.146 -4.021 -5.997 254 H1* U 24 H1* U 24 -11.029 -1.862 -4.495 255 H3 U 24 H3 U 24 -6.624 -2.928 -4.173 256 H5 U 24 H5 U 24 -8.295 -4.471 -0.650 257 H6 U 24 H6 U 24 -10.505 -3.999 -1.525 258 1H5* U 25 1H5* U 25 -13.161 -5.503 -7.213 259 2H5* U 25 2H5* U 25 -13.288 -7.210 -7.671 260 H4* U 25 H4* U 25 -11.610 -5.965 -9.013 261 H3* U 25 H3* U 25 -10.466 -8.154 -7.229 262 H2* U 25 H2* U 25 -8.418 -7.779 -8.388 263 2HO* U 25 2HO* U 25 -9.637 -7.459 -10.427 264 H1* U 25 H1* U 25 -8.599 -5.037 -8.268 265 H3 U 25 H3 U 25 -5.238 -6.147 -5.377 266 H5 U 25 H5 U 25 -8.749 -6.897 -3.219 267 H6 U 25 H6 U 25 -10.024 -6.545 -5.239 268 1H5* G 26 1H5* G 26 -9.482 -9.353 -11.226 269 2H5* G 26 2H5* G 26 -9.394 -11.121 -11.346 270 H4* G 26 H4* G 26 -7.237 -9.891 -11.807 271 H3* G 26 H3* G 26 -7.282 -11.850 -9.492 272 H2* G 26 H2* G 26 -4.895 -11.453 -9.327 273 2HO* G 26 2HO* G 26 -4.808 -11.323 -11.740 274 H1* G 26 H1* G 26 -5.117 -8.729 -9.563 275 H8 G 26 H8 G 26 -8.055 -9.663 -7.399 276 H1 G 26 H1 G 26 -2.401 -10.079 -4.359 277 1H2 G 26 1H2 G 26 -0.724 -10.192 -5.914 278 2H2 G 26 2H2 G 26 -1.073 -9.944 -7.619 279 1H5* U 27 1H5* U 27 -3.914 -12.992 -12.138 280 2H5* U 27 2H5* U 27 -3.689 -14.747 -12.122 281 H4* U 27 H4* U 27 -1.684 -13.369 -11.368 282 H3* U 27 H3* U 27 -2.832 -15.391 -9.412 283 H2* U 27 H2* U 27 -1.059 -14.791 -7.951 284 2HO* U 27 2HO* U 27 0.413 -14.649 -9.861 285 H1* U 27 H1* U 27 -1.213 -12.106 -8.352 286 H3 U 27 H3 U 27 -2.369 -13.273 -4.065 287 H5 U 27 H5 U 27 -5.922 -13.544 -6.328 288 H6 U 27 H6 U 27 -4.607 -13.327 -8.322 289 1H5* G 28 1H5* G 28 -0.799 -19.659 -9.540 290 2H5* G 28 2H5* G 28 -1.611 -19.244 -8.048 291 H4* G 28 H4* G 28 0.869 -18.152 -9.082 292 H3* G 28 H3* G 28 -0.067 -19.465 -6.593 293 H2* G 28 H2* G 28 1.315 -18.152 -5.228 294 2HO* G 28 2HO* G 28 2.907 -16.777 -6.029 295 H1* G 28 H1* G 28 0.747 -15.740 -6.325 296 H8 G 28 H8 G 28 -2.549 -17.030 -7.019 297 H1 G 28 H1 G 28 -1.715 -16.171 -0.703 298 1H2 G 28 1H2 G 28 0.498 -16.022 -0.231 299 2H2 G 28 2H2 G 28 1.694 -16.014 -1.515 300 1H5* U 29 1H5* U 29 3.748 -19.518 -5.656 301 2H5* U 29 2H5* U 29 4.358 -21.125 -5.220 302 H4* U 29 H4* U 29 4.575 -19.572 -3.332 303 H3* U 29 H3* U 29 2.501 -21.759 -2.922 304 H2* U 29 H2* U 29 2.276 -20.983 -0.691 305 2HO* U 29 2HO* U 29 4.678 -20.480 -0.730 306 H1* U 29 H1* U 29 2.131 -18.347 -1.365 307 H3 U 29 H3 U 29 -2.213 -19.542 -0.327 308 H5 U 29 H5 U 29 -1.729 -20.372 -4.403 309 H6 U 29 H6 U 29 0.602 -19.973 -4.188 310 1H5* C 30 1H5* C 30 5.247 -22.069 0.206 311 2H5* C 30 2H5* C 30 5.583 -23.756 0.632 312 H4* C 30 H4* C 30 4.655 -22.412 2.511 313 H3* C 30 H3* C 30 2.925 -24.695 1.475 314 H2* C 30 H2* C 30 1.436 -24.270 3.273 315 2HO* C 30 2HO* C 30 2.051 -22.948 5.030 316 H1* C 30 H1* C 30 1.789 -21.469 3.212 317 1H4 C 30 1H4 C 30 -3.911 -22.223 0.686 318 2H4 C 30 2H4 C 30 -3.252 -22.485 -0.916 319 H5 C 30 H5 C 30 -0.766 -22.933 -1.246 320 H6 C 30 H6 C 30 1.365 -22.911 -0.130 321 H3T C 30 HE C 30 4.237 -24.555 3.935 Start of MODEL 6 1 1H5* G 1 1H5* G 1 -11.184 -23.739 6.220 2 2H5* G 1 2H5* G 1 -11.619 -22.050 6.533 3 H4* G 1 H4* G 1 -9.610 -22.580 7.775 4 H3* G 1 H3* G 1 -9.013 -20.837 5.373 5 H2* G 1 H2* G 1 -6.797 -20.642 6.277 6 2HO* G 1 2HO* G 1 -7.749 -20.657 8.516 7 H1* G 1 H1* G 1 -6.538 -23.297 6.788 8 H8 G 1 H8 G 1 -8.552 -23.138 3.592 9 H1 G 1 H1 G 1 -2.361 -21.631 2.731 10 1H2 G 1 1H2 G 1 -1.369 -21.344 4.766 11 2H2 G 1 2H2 G 1 -2.270 -21.588 6.258 12 1H5* G 2 1H5* G 2 -7.326 -18.874 8.702 13 2H5* G 2 2H5* G 2 -7.485 -17.121 8.550 14 H4* G 2 H4* G 2 -5.090 -17.951 8.734 15 H3* G 2 H3* G 2 -5.844 -16.463 6.203 16 H2* G 2 H2* G 2 -3.498 -16.456 5.809 17 2HO* G 2 2HO* G 2 -3.079 -16.108 8.154 18 H1* G 2 H1* G 2 -3.126 -19.086 6.579 19 H8 G 2 H8 G 2 -6.260 -19.047 4.500 20 H1 G 2 H1 G 2 -0.911 -17.973 1.047 21 1H2 G 2 1H2 G 2 0.826 -17.740 2.415 22 2H2 G 2 2H2 G 2 0.649 -17.846 4.162 23 1H5* C 3 1H5* C 3 -2.788 -14.386 8.375 24 2H5* C 3 2H5* C 3 -2.673 -12.661 8.016 25 H4* C 3 H4* C 3 -0.718 -14.245 7.410 26 H3* C 3 H3* C 3 -1.859 -12.291 5.353 27 H2* C 3 H2* C 3 -0.071 -12.925 3.911 28 2HO* C 3 2HO* C 3 1.393 -13.022 5.832 29 H1* C 3 H1* C 3 -0.316 -15.604 4.427 30 1H4 C 3 1H4 C 3 -3.885 -15.158 -0.749 31 2H4 C 3 2H4 C 3 -5.304 -14.842 0.224 32 H5 C 3 H5 C 3 -5.170 -14.428 2.680 33 H6 C 3 H6 C 3 -3.689 -14.319 4.543 34 1H5* A 4 1H5* A 4 2.211 -11.051 5.705 35 2H5* A 4 2H5* A 4 2.342 -9.294 5.494 36 H4* A 4 H4* A 4 3.534 -10.659 3.745 37 H3* A 4 H3* A 4 1.272 -8.869 2.792 38 H2* A 4 H2* A 4 1.936 -9.468 0.570 39 2HO* A 4 2HO* A 4 4.234 -9.379 1.209 40 H1* A 4 H1* A 4 2.244 -12.147 1.153 41 H8 A 4 H8 A 4 -0.847 -10.990 3.003 42 1H6 A 4 1H6 A 4 -3.839 -12.311 -2.275 43 2H6 A 4 2H6 A 4 -3.991 -11.970 -0.558 44 H2 A 4 H2 A 4 0.542 -12.091 -3.181 45 1H5* C 5 1H5* C 5 4.821 -7.324 0.629 46 2H5* C 5 2H5* C 5 4.564 -5.607 0.260 47 H4* C 5 H4* C 5 4.723 -7.141 -1.753 48 H3* C 5 H3* C 5 2.123 -5.609 -1.390 49 H2* C 5 H2* C 5 1.500 -6.533 -3.519 50 2HO* C 5 2HO* C 5 3.841 -6.288 -4.198 51 H1* C 5 H1* C 5 2.404 -9.071 -2.960 52 1H4 C 5 1H4 C 5 -3.875 -8.983 -1.953 53 2H4 C 5 2H4 C 5 -3.676 -8.324 -0.341 54 H5 C 5 H5 C 5 -1.420 -7.665 0.554 55 H6 C 5 H6 C 5 0.912 -7.502 0.007 56 1H5* U 6 1H5* U 6 3.057 -4.899 -5.454 57 2H5* U 6 2H5* U 6 2.577 -3.294 -6.002 58 H4* U 6 H4* U 6 1.472 -5.262 -7.166 59 H3* U 6 H3* U 6 -0.283 -3.192 -5.838 60 H2* U 6 H2* U 6 -2.202 -4.420 -6.567 61 2HO* U 6 2HO* U 6 -0.987 -4.888 -8.616 62 H1* U 6 H1* U 6 -1.241 -6.887 -5.948 63 H3 U 6 H3 U 6 -4.604 -5.959 -2.991 64 H5 U 6 H5 U 6 -1.039 -4.674 -1.165 65 H6 U 6 H6 U 6 0.074 -4.920 -3.250 66 1H5* C 7 1H5* C 7 -0.908 -2.429 -10.199 67 2H5* C 7 2H5* C 7 -1.209 -0.726 -10.596 68 H4* C 7 H4* C 7 -3.334 -2.128 -10.328 69 H3* C 7 H3* C 7 -2.870 0.151 -8.377 70 H2* C 7 H2* C 7 -5.022 -0.304 -7.534 71 2HO* C 7 2HO* C 7 -6.124 -0.396 -9.505 72 H1* C 7 H1* C 7 -4.867 -3.099 -8.094 73 1H4 C 7 1H4 C 7 -4.922 -2.720 -1.805 74 2H4 C 7 2H4 C 7 -3.203 -2.390 -1.691 75 H5 C 7 H5 C 7 -1.814 -2.034 -3.842 76 H6 C 7 H6 C 7 -1.996 -1.869 -6.221 77 1H5* U 8 1H5* U 8 -6.722 0.533 -11.159 78 2H5* U 8 2H5* U 8 -6.993 2.280 -11.312 79 H4* U 8 H4* U 8 -9.067 1.035 -10.720 80 H3* U 8 H3* U 8 -8.015 2.992 -8.652 81 H2* U 8 H2* U 8 -10.075 2.584 -7.464 82 2HO* U 8 2HO* U 8 -11.213 2.510 -9.593 83 H1* U 8 H1* U 8 -10.043 -0.143 -7.878 84 H3 U 8 H3 U 8 -9.280 0.234 -3.397 85 H5 U 8 H5 U 8 -5.562 1.032 -5.199 86 H6 U 8 H6 U 8 -6.671 1.177 -7.334 87 1H5* G 9 1H5* G 9 -12.161 4.325 -9.381 88 2H5* G 9 2H5* G 9 -12.208 6.081 -9.132 89 H4* G 9 H4* G 9 -13.670 4.792 -7.555 90 H3* G 9 H3* G 9 -11.384 6.353 -6.319 91 H2* G 9 H2* G 9 -12.329 5.724 -4.171 92 2HO* G 9 2HO* G 9 -14.534 5.940 -5.125 93 H1* G 9 H1* G 9 -12.682 3.103 -4.854 94 H8 G 9 H8 G 9 -9.413 4.394 -6.425 95 H1 G 9 H1 G 9 -8.993 2.891 -0.192 96 1H2 G 9 1H2 G 9 -11.092 2.753 0.684 97 2H2 G 9 2H2 G 9 -12.492 2.770 -0.380 98 1H5* G 10 1H5* G 10 -15.126 7.497 -4.188 99 2H5* G 10 2H5* G 10 -14.993 9.185 -3.670 100 H4* G 10 H4* G 10 -15.402 7.510 -1.818 101 H3* G 10 H3* G 10 -12.902 9.217 -1.691 102 H2* G 10 H2* G 10 -12.549 8.255 0.506 103 2HO* G 10 2HO* G 10 -14.955 8.322 0.828 104 H1* G 10 H1* G 10 -13.133 5.688 -0.270 105 H8 G 10 H8 G 10 -11.156 7.207 -3.128 106 H1 G 10 H1 G 10 -7.560 5.666 1.972 107 1H2 G 10 1H2 G 10 -8.904 5.482 3.801 108 2H2 G 10 2H2 G 10 -10.658 5.526 3.641 109 1H5* U 11 1H5* U 11 -14.859 9.727 2.257 110 2H5* U 11 2H5* U 11 -14.611 11.407 2.769 111 H4* U 11 H4* U 11 -13.637 9.708 4.374 112 H3* U 11 H3* U 11 -11.652 11.591 3.095 113 H2* U 11 H2* U 11 -10.104 10.598 4.652 114 2HO* U 11 2HO* U 11 -11.686 10.493 6.364 115 H1* U 11 H1* U 11 -10.884 8.031 4.148 116 H3 U 11 H3 U 11 -6.718 8.836 2.454 117 H5 U 11 H5 U 11 -9.385 10.157 -0.537 118 H6 U 11 H6 U 11 -11.185 9.888 1.029 119 1H5* A 12 1H5* A 12 -12.795 13.263 7.272 120 2H5* A 12 2H5* A 12 -12.117 14.865 7.589 121 H4* A 12 H4* A 12 -10.832 12.869 8.526 122 H3* A 12 H3* A 12 -9.411 14.833 6.739 123 H2* A 12 H2* A 12 -7.407 13.639 7.282 124 2HO* A 12 2HO* A 12 -7.901 13.413 9.522 125 H1* A 12 H1* A 12 -8.574 11.115 7.020 126 H8 A 12 H8 A 12 -9.895 13.351 4.333 127 1H6 A 12 1H6 A 12 -4.809 11.991 1.078 128 2H6 A 12 2H6 A 12 -6.450 12.617 1.037 129 H2 A 12 H2 A 12 -4.029 10.937 5.371 130 1H5* U 13 1H5* U 13 -6.086 16.624 10.806 131 2H5* U 13 2H5* U 13 -6.120 16.995 9.085 132 H4* U 13 H4* U 13 -4.632 14.787 10.511 133 H3* U 13 H3* U 13 -4.129 16.945 8.449 134 H2* U 13 H2* U 13 -2.451 15.707 7.369 135 2HO* U 13 2HO* U 13 -1.847 14.917 9.670 136 H1* U 13 H1* U 13 -3.787 13.312 7.400 137 H3 U 13 H3 U 13 -4.202 14.603 3.057 138 H5 U 13 H5 U 13 -7.468 16.286 5.134 139 H6 U 13 H6 U 13 -6.292 15.872 7.187 140 1H5* C 14 1H5* C 14 -0.479 16.688 9.215 141 2H5* C 14 2H5* C 14 0.243 18.254 9.643 142 H4* C 14 H4* C 14 1.322 17.537 7.649 143 H3* C 14 H3* C 14 -0.852 19.473 6.834 144 H2* C 14 H2* C 14 0.271 19.388 4.644 145 2HO* C 14 2HO* C 14 2.137 18.107 4.372 146 H1* C 14 H1* C 14 0.154 16.664 4.673 147 1H4 C 14 1H4 C 14 -5.429 18.635 2.267 148 2H4 C 14 2H4 C 14 -6.118 18.835 3.864 149 H5 C 14 H5 C 14 -4.757 18.458 5.938 150 H6 C 14 H6 C 14 -2.585 17.934 6.749 151 1H5* A 15 1H5* A 15 0.253 22.632 4.953 152 2H5* A 15 2H5* A 15 1.374 21.257 4.948 153 H4* A 15 H4* A 15 1.796 24.117 4.124 154 H3* A 15 H3* A 15 1.384 21.878 2.646 155 H2* A 15 H2* A 15 2.986 20.473 3.668 156 2HO* A 15 2HO* A 15 3.967 21.820 1.436 157 H1* A 15 H1* A 15 5.031 22.643 3.553 158 H8 A 15 H8 A 15 3.388 20.226 6.093 159 1H6 A 15 1H6 A 15 9.113 19.580 8.368 160 2H6 A 15 2H6 A 15 7.433 19.062 8.479 161 H2 A 15 H2 A 15 9.283 22.543 5.031 162 1H5* C 16 1H5* C 16 1.665 21.155 -0.077 163 2H5* C 16 2H5* C 16 1.917 22.418 -1.259 164 H4* C 16 H4* C 16 0.527 20.791 -2.196 165 H3* C 16 H3* C 16 -0.369 23.356 -2.354 166 H2* C 16 H2* C 16 -1.583 23.391 -0.307 167 2HO* C 16 2HO* C 16 -3.137 22.702 -2.520 168 H1* C 16 H1* C 16 -2.838 20.742 -0.901 169 1H4 C 16 1H4 C 16 -3.960 21.821 5.382 170 2H4 C 16 2H4 C 16 -2.257 21.621 5.753 171 H5 C 16 H5 C 16 -0.616 21.101 3.954 172 H6 C 16 H6 C 16 -0.248 20.950 1.624 173 1H5* G 17 1H5* G 17 0.207 19.362 -5.479 174 2H5* G 17 2H5* G 17 0.122 19.444 -3.721 175 H4* G 17 H4* G 17 2.655 19.711 -5.422 176 H3* G 17 H3* G 17 1.607 17.546 -3.557 177 H2* G 17 H2* G 17 3.830 17.059 -2.988 178 2HO* G 17 2HO* G 17 4.235 17.305 -5.462 179 H1* G 17 H1* G 17 4.783 19.722 -3.370 180 H8 G 17 H8 G 17 6.067 19.197 -1.151 181 H1 G 17 H1 G 17 0.659 17.638 1.924 182 1H2 G 17 1H2 G 17 -1.024 17.489 0.517 183 2H2 G 17 2H2 G 17 -0.826 17.873 -1.184 184 1H5* G 18 1H5* G 18 3.993 15.184 -4.408 185 2H5* G 18 2H5* G 18 3.437 13.512 -4.557 186 H4* G 18 H4* G 18 4.662 14.330 -2.367 187 H3* G 18 H3* G 18 2.144 12.655 -2.327 188 H2* G 18 H2* G 18 2.373 12.611 0.073 189 2HO* G 18 2HO* G 18 4.811 12.544 -0.277 190 H1* G 18 H1* G 18 2.940 15.283 0.326 191 H8 G 18 H8 G 18 0.320 14.754 -2.399 192 H1 G 18 H1 G 18 -2.025 14.130 3.556 193 1H2 G 18 1H2 G 18 -0.318 13.958 5.020 194 2H2 G 18 2H2 G 18 1.350 14.135 4.502 195 1H5* U 19 1H5* U 19 4.896 10.820 0.506 196 2H5* U 19 2H5* U 19 4.713 9.065 0.476 197 H4* U 19 H4* U 19 4.302 10.170 2.701 198 H3* U 19 H3* U 19 2.028 8.525 1.528 199 H2* U 19 H2* U 19 0.966 8.850 3.675 200 2HO* U 19 2HO* U 19 3.025 8.663 4.811 201 H1* U 19 H1* U 19 1.463 11.519 3.773 202 H3 U 19 H3 U 19 -3.010 11.090 2.717 203 H5 U 19 H5 U 19 -0.944 10.924 -0.948 204 H6 U 19 H6 U 19 1.099 10.754 0.252 205 1H5* A 20 1H5* A 20 3.239 6.620 5.271 206 2H5* A 20 2H5* A 20 2.907 4.879 5.238 207 H4* A 20 H4* A 20 1.679 6.127 7.002 208 H3* A 20 H3* A 20 -0.121 4.771 4.926 209 H2* A 20 H2* A 20 -1.908 5.452 6.306 210 2HO* A 20 2HO* A 20 -0.379 5.248 8.269 211 H1* A 20 H1* A 20 -1.191 7.892 6.568 212 H8 A 20 H8 A 20 0.135 6.997 3.058 213 1H6 A 20 1H6 A 20 -5.390 8.589 0.905 214 2H6 A 20 2H6 A 20 -3.738 8.143 0.565 215 H2 A 20 H2 A 20 -5.691 8.351 5.425 216 1H5* C 21 1H5* C 21 -1.863 4.102 8.370 217 2H5* C 21 2H5* C 21 -2.301 2.489 8.659 218 H4* C 21 H4* C 21 -4.235 3.953 8.824 219 H3* C 21 H3* C 21 -4.425 2.170 6.350 220 H2* C 21 H2* C 21 -6.601 3.130 6.067 221 2HO* C 21 2HO* C 21 -6.894 3.167 8.457 222 H1* C 21 H1* C 21 -5.725 5.701 6.451 223 1H4 C 21 1H4 C 21 -5.393 5.244 0.231 224 2H4 C 21 2H4 C 21 -3.708 4.751 0.284 225 H5 C 21 H5 C 21 -2.589 4.166 2.484 226 H6 C 21 H6 C 21 -2.911 4.084 4.857 227 1H5* C 22 1H5* C 22 -8.042 1.457 8.591 228 2H5* C 22 2H5* C 22 -8.589 -0.221 8.388 229 H4* C 22 H4* C 22 -10.187 1.537 7.506 230 H3* C 22 H3* C 22 -9.050 -0.474 5.530 231 H2* C 22 H2* C 22 -10.487 0.513 3.900 232 2HO* C 22 2HO* C 22 -12.129 0.774 5.720 233 H1* C 22 H1* C 22 -10.007 3.119 4.683 234 1H4 C 22 1H4 C 22 -6.459 2.330 -0.452 235 2H4 C 22 2H4 C 22 -5.112 1.681 0.458 236 H5 C 22 H5 C 22 -5.276 1.333 2.978 237 H6 C 22 H6 C 22 -6.765 1.417 4.850 238 1H5* U 23 1H5* U 23 -13.154 -0.580 4.557 239 2H5* U 23 2H5* U 23 -13.629 -2.250 4.210 240 H4* U 23 H4* U 23 -13.930 -0.698 2.283 241 H3* U 23 H3* U 23 -11.918 -2.937 1.910 242 H2* U 23 H2* U 23 -11.814 -2.232 -0.409 243 2HO* U 23 2HO* U 23 -14.150 -1.809 -0.431 244 H1* U 23 H1* U 23 -11.760 0.442 0.179 245 H3 U 23 H3 U 23 -7.595 -0.306 -1.396 246 H5 U 23 H5 U 23 -7.509 -1.880 2.513 247 H6 U 23 H6 U 23 -9.882 -1.511 2.660 248 1H5* U 24 1H5* U 24 -15.010 -3.069 -1.377 249 2H5* U 24 2H5* U 24 -15.173 -4.744 -1.926 250 H4* U 24 H4* U 24 -14.514 -3.094 -3.732 251 H3* U 24 H3* U 24 -12.572 -5.334 -3.107 252 H2* U 24 H2* U 24 -11.400 -4.618 -5.087 253 2HO* U 24 2HO* U 24 -12.215 -3.138 -6.500 254 H1* U 24 H1* U 24 -11.613 -1.930 -4.440 255 H3 U 24 H3 U 24 -7.198 -2.846 -4.038 256 H5 U 24 H5 U 24 -8.890 -4.521 -0.587 257 H6 U 24 H6 U 24 -11.102 -4.116 -1.512 258 1H5* U 25 1H5* U 25 -13.390 -5.499 -7.301 259 2H5* U 25 2H5* U 25 -13.393 -7.173 -7.877 260 H4* U 25 H4* U 25 -11.746 -5.752 -9.074 261 H3* U 25 H3* U 25 -10.517 -7.957 -7.374 262 H2* U 25 H2* U 25 -8.477 -7.413 -8.428 263 2HO* U 25 2HO* U 25 -8.309 -6.122 -10.180 264 H1* U 25 H1* U 25 -8.821 -4.694 -8.128 265 H3 U 25 H3 U 25 -5.507 -5.826 -5.210 266 H5 U 25 H5 U 25 -9.043 -6.849 -3.219 267 H6 U 25 H6 U 25 -10.271 -6.458 -5.264 268 1H5* G 26 1H5* G 26 -9.279 -8.725 -11.308 269 2H5* G 26 2H5* G 26 -9.121 -10.463 -11.636 270 H4* G 26 H4* G 26 -6.978 -9.191 -11.878 271 H3* G 26 H3* G 26 -7.084 -11.268 -9.668 272 H2* G 26 H2* G 26 -4.720 -10.833 -9.359 273 2HO* G 26 2HO* G 26 -4.501 -10.564 -11.749 274 H1* G 26 H1* G 26 -5.025 -8.095 -9.454 275 H8 G 26 H8 G 26 -8.020 -9.323 -7.511 276 H1 G 26 H1 G 26 -2.514 -9.419 -4.182 277 1H2 G 26 1H2 G 26 -0.750 -9.325 -5.649 278 2H2 G 26 2H2 G 26 -1.036 -9.105 -7.369 279 1H5* U 27 1H5* U 27 -3.565 -12.228 -12.179 280 2H5* U 27 2H5* U 27 -3.342 -13.986 -12.215 281 H4* U 27 H4* U 27 -1.364 -12.688 -11.373 282 H3* U 27 H3* U 27 -2.607 -14.626 -9.384 283 H2* U 27 H2* U 27 -0.673 -14.165 -8.057 284 2HO* U 27 2HO* U 27 0.760 -14.035 -9.916 285 H1* U 27 H1* U 27 -0.859 -11.464 -8.376 286 H3 U 27 H3 U 27 -2.105 -12.535 -4.088 287 H5 U 27 H5 U 27 -5.578 -13.053 -6.407 288 H6 U 27 H6 U 27 -4.248 -12.783 -8.388 289 1H5* G 28 1H5* G 28 1.656 -15.837 -10.008 290 2H5* G 28 2H5* G 28 1.907 -17.509 -9.482 291 H4* G 28 H4* G 28 3.153 -15.611 -8.258 292 H3* G 28 H3* G 28 1.669 -17.668 -6.646 293 H2* G 28 H2* G 28 2.535 -16.490 -4.693 294 2HO* G 28 2HO* G 28 4.542 -16.024 -6.073 295 H1* G 28 H1* G 28 1.820 -14.014 -5.574 296 H8 G 28 H8 G 28 -1.018 -15.962 -6.965 297 H1 G 28 H1 G 28 -1.378 -15.339 -0.587 298 1H2 G 28 1H2 G 28 0.681 -14.860 0.260 299 2H2 G 28 2H2 G 28 2.037 -14.557 -0.815 300 1H5* U 29 1H5* U 29 5.347 -17.357 -4.791 301 2H5* U 29 2H5* U 29 6.053 -18.931 -4.393 302 H4* U 29 H4* U 29 5.709 -17.547 -2.394 303 H3* U 29 H3* U 29 3.951 -20.026 -2.532 304 H2* U 29 H2* U 29 3.264 -19.525 -0.319 305 2HO* U 29 2HO* U 29 5.528 -18.714 0.121 306 H1* U 29 H1* U 29 2.823 -16.879 -0.804 307 H3 U 29 H3 U 29 -1.404 -18.758 -0.692 308 H5 U 29 H5 U 29 -0.093 -18.961 -4.680 309 H6 U 29 H6 U 29 2.071 -18.387 -3.974 310 1H5* C 30 1H5* C 30 6.194 -20.297 0.964 311 2H5* C 30 2H5* C 30 6.688 -21.961 1.315 312 H4* C 30 H4* C 30 5.323 -20.960 3.111 313 H3* C 30 H3* C 30 3.997 -23.245 1.593 314 H2* C 30 H2* C 30 2.270 -23.176 3.249 315 2HO* C 30 2HO* C 30 4.165 -22.668 4.843 316 H1* C 30 H1* C 30 2.277 -20.381 3.431 317 1H4 C 30 1H4 C 30 -2.777 -21.642 -0.122 318 2H4 C 30 2H4 C 30 -1.834 -21.764 -1.596 319 H5 C 30 H5 C 30 0.715 -21.851 -1.499 320 H6 C 30 H6 C 30 2.600 -21.622 -0.025 321 H3T C 30 HE C 30 4.881 -24.480 3.182 Start of MODEL 7 1 1H5* G 1 1H5* G 1 -11.225 -21.492 7.758 2 2H5* G 1 2H5* G 1 -10.471 -22.495 6.507 3 H4* G 1 H4* G 1 -9.302 -22.223 9.149 4 H3* G 1 H3* G 1 -8.814 -20.587 6.670 5 H2* G 1 H2* G 1 -6.511 -20.392 7.384 6 2HO* G 1 2HO* G 1 -7.336 -20.328 9.697 7 H1* G 1 H1* G 1 -6.239 -23.020 8.003 8 H8 G 1 H8 G 1 -8.509 -22.949 4.969 9 H1 G 1 H1 G 1 -2.352 -21.758 3.558 10 1H2 G 1 1H2 G 1 -1.201 -21.370 5.493 11 2H2 G 1 2H2 G 1 -1.993 -21.497 7.058 12 1H5* G 2 1H5* G 2 -6.743 -18.545 9.776 13 2H5* G 2 2H5* G 2 -6.896 -16.797 9.563 14 H4* G 2 H4* G 2 -4.508 -17.625 9.548 15 H3* G 2 H3* G 2 -5.490 -16.318 6.993 16 H2* G 2 H2* G 2 -3.187 -16.334 6.406 17 2HO* G 2 2HO* G 2 -2.560 -15.809 8.659 18 H1* G 2 H1* G 2 -2.744 -18.907 7.337 19 H8 G 2 H8 G 2 -6.028 -18.989 5.504 20 H1 G 2 H1 G 2 -0.961 -18.179 1.582 21 1H2 G 2 1H2 G 2 0.879 -17.866 2.798 22 2H2 G 2 2H2 G 2 0.834 -17.855 4.557 23 1H5* C 3 1H5* C 3 -2.307 -14.067 8.750 24 2H5* C 3 2H5* C 3 -2.244 -12.370 8.261 25 H4* C 3 H4* C 3 -0.320 -13.972 7.618 26 H3* C 3 H3* C 3 -1.654 -12.202 5.511 27 H2* C 3 H2* C 3 0.036 -12.925 3.992 28 2HO* C 3 2HO* C 3 1.642 -12.846 5.788 29 H1* C 3 H1* C 3 -0.126 -15.560 4.732 30 1H4 C 3 1H4 C 3 -4.071 -15.439 -0.201 31 2H4 C 3 2H4 C 3 -5.416 -15.042 0.842 32 H5 C 3 H5 C 3 -5.108 -14.510 3.263 33 H6 C 3 H6 C 3 -3.500 -14.300 5.007 34 1H5* A 4 1H5* A 4 2.427 -10.902 5.484 35 2H5* A 4 2H5* A 4 2.530 -9.174 5.091 36 H4* A 4 H4* A 4 3.626 -10.725 3.431 37 H3* A 4 H3* A 4 1.346 -8.981 2.436 38 H2* A 4 H2* A 4 1.861 -9.792 0.248 39 2HO* A 4 2HO* A 4 4.195 -9.704 0.736 40 H1* A 4 H1* A 4 2.145 -12.412 1.037 41 H8 A 4 H8 A 4 -0.780 -11.022 2.999 42 1H6 A 4 1H6 A 4 -4.175 -12.655 -1.934 43 2H6 A 4 2H6 A 4 -4.198 -12.165 -0.245 44 H2 A 4 H2 A 4 0.132 -12.690 -3.147 45 1H5* C 5 1H5* C 5 4.831 -7.788 -0.039 46 2H5* C 5 2H5* C 5 4.618 -6.109 -0.579 47 H4* C 5 H4* C 5 4.633 -7.866 -2.416 48 H3* C 5 H3* C 5 2.137 -6.160 -2.125 49 H2* C 5 H2* C 5 1.370 -7.264 -4.127 50 2HO* C 5 2HO* C 5 3.692 -7.225 -4.903 51 H1* C 5 H1* C 5 2.162 -9.778 -3.322 52 1H4 C 5 1H4 C 5 -4.058 -9.247 -2.057 53 2H4 C 5 2H4 C 5 -3.739 -8.416 -0.552 54 H5 C 5 H5 C 5 -1.411 -7.843 0.193 55 H6 C 5 H6 C 5 0.892 -7.841 -0.475 56 1H5* U 6 1H5* U 6 2.963 -5.898 -6.251 57 2H5* U 6 2H5* U 6 2.605 -4.309 -6.928 58 H4* U 6 H4* U 6 1.291 -6.232 -7.906 59 H3* U 6 H3* U 6 -0.245 -3.963 -6.629 60 H2* U 6 H2* U 6 -2.280 -5.074 -7.198 61 2HO* U 6 2HO* U 6 -1.200 -5.731 -9.272 62 H1* U 6 H1* U 6 -1.471 -7.583 -6.500 63 H3 U 6 H3 U 6 -4.638 -6.230 -3.472 64 H5 U 6 H5 U 6 -0.914 -5.121 -1.858 65 H6 U 6 H6 U 6 0.083 -5.543 -3.979 66 1H5* C 7 1H5* C 7 -1.022 -3.322 -10.988 67 2H5* C 7 2H5* C 7 -1.181 -1.611 -11.433 68 H4* C 7 H4* C 7 -3.412 -2.783 -11.013 69 H3* C 7 H3* C 7 -2.631 -0.527 -9.138 70 H2* C 7 H2* C 7 -4.785 -0.751 -8.196 71 2HO* C 7 2HO* C 7 -5.980 -0.784 -10.109 72 H1* C 7 H1* C 7 -4.909 -3.562 -8.681 73 1H4 C 7 1H4 C 7 -4.605 -2.904 -2.407 74 2H4 C 7 2H4 C 7 -2.866 -2.670 -2.393 75 H5 C 7 H5 C 7 -1.567 -2.533 -4.619 76 H6 C 7 H6 C 7 -1.857 -2.485 -6.999 77 1H5* U 8 1H5* U 8 -6.516 0.159 -11.786 78 2H5* U 8 2H5* U 8 -6.641 1.917 -11.990 79 H4* U 8 H4* U 8 -8.794 0.855 -11.296 80 H3* U 8 H3* U 8 -7.535 2.812 -9.348 81 H2* U 8 H2* U 8 -9.578 2.609 -8.086 82 2HO* U 8 2HO* U 8 -10.817 2.554 -10.132 83 H1* U 8 H1* U 8 -9.768 -0.128 -8.378 84 H3 U 8 H3 U 8 -8.871 0.413 -3.941 85 H5 U 8 H5 U 8 -5.141 0.811 -5.862 86 H6 U 8 H6 U 8 -6.285 0.905 -7.978 87 1H5* G 9 1H5* G 9 -11.632 4.376 -10.117 88 2H5* G 9 2H5* G 9 -11.606 6.134 -9.886 89 H4* G 9 H4* G 9 -13.118 4.871 -8.303 90 H3* G 9 H3* G 9 -10.855 6.488 -7.101 91 H2* G 9 H2* G 9 -11.775 5.890 -4.936 92 2HO* G 9 2HO* G 9 -13.991 6.040 -5.917 93 H1* G 9 H1* G 9 -12.106 3.251 -5.536 94 H8 G 9 H8 G 9 -8.865 4.504 -7.181 95 H1 G 9 H1 G 9 -8.337 3.106 -0.932 96 1H2 G 9 1H2 G 9 -10.405 3.005 -0.006 97 2H2 G 9 2H2 G 9 -11.836 3.023 -1.027 98 1H5* G 10 1H5* G 10 -14.622 7.556 -4.984 99 2H5* G 10 2H5* G 10 -14.538 9.231 -4.421 100 H4* G 10 H4* G 10 -14.867 7.438 -2.633 101 H3* G 10 H3* G 10 -12.541 9.360 -2.430 102 H2* G 10 H2* G 10 -12.054 8.338 -0.288 103 2HO* G 10 2HO* G 10 -14.437 8.152 0.089 104 H1* G 10 H1* G 10 -12.400 5.768 -1.144 105 H8 G 10 H8 G 10 -10.626 7.497 -4.002 106 H1 G 10 H1 G 10 -6.806 6.051 0.963 107 1H2 G 10 1H2 G 10 -8.082 5.719 2.821 108 2H2 G 10 2H2 G 10 -9.835 5.640 2.698 109 1H5* U 11 1H5* U 11 -14.674 9.398 1.501 110 2H5* U 11 2H5* U 11 -14.566 11.025 2.196 111 H4* U 11 H4* U 11 -13.505 9.193 3.620 112 H3* U 11 H3* U 11 -11.708 11.440 2.713 113 H2* U 11 H2* U 11 -10.092 10.399 4.169 114 2HO* U 11 2HO* U 11 -11.701 9.870 5.782 115 H1* U 11 H1* U 11 -10.547 7.868 3.289 116 H3 U 11 H3 U 11 -6.472 9.295 1.788 117 H5 U 11 H5 U 11 -9.268 10.721 -1.034 118 H6 U 11 H6 U 11 -11.016 10.115 0.462 119 1H5* A 12 1H5* A 12 -13.000 12.287 7.049 120 2H5* A 12 2H5* A 12 -12.487 13.876 7.633 121 H4* A 12 H4* A 12 -11.005 11.877 8.243 122 H3* A 12 H3* A 12 -9.808 14.264 6.857 123 H2* A 12 H2* A 12 -7.687 13.211 7.200 124 2HO* A 12 2HO* A 12 -8.106 12.513 9.347 125 H1* A 12 H1* A 12 -8.571 10.665 6.469 126 H8 A 12 H8 A 12 -10.157 13.183 4.219 127 1H6 A 12 1H6 A 12 -5.106 12.828 0.698 128 2H6 A 12 2H6 A 12 -6.785 13.331 0.821 129 H2 A 12 H2 A 12 -4.062 11.198 4.760 130 1H5* U 13 1H5* U 13 -6.614 15.340 11.339 131 2H5* U 13 2H5* U 13 -6.658 16.093 9.747 132 H4* U 13 H4* U 13 -5.046 13.705 10.667 133 H3* U 13 H3* U 13 -4.685 16.266 9.090 134 H2* U 13 H2* U 13 -2.879 15.376 7.882 135 2HO* U 13 2HO* U 13 -1.932 13.403 8.400 136 H1* U 13 H1* U 13 -4.108 12.997 7.327 137 H3 U 13 H3 U 13 -4.553 15.173 3.358 138 H5 U 13 H5 U 13 -7.919 16.176 5.691 139 H6 U 13 H6 U 13 -6.726 15.418 7.624 140 1H5* C 14 1H5* C 14 -1.004 15.835 9.958 141 2H5* C 14 2H5* C 14 -0.263 17.289 10.657 142 H4* C 14 H4* C 14 0.905 16.774 8.626 143 H3* C 14 H3* C 14 -1.031 19.055 8.130 144 H2* C 14 H2* C 14 0.120 19.237 5.954 145 2HO* C 14 2HO* C 14 2.133 18.492 7.212 146 H1* C 14 H1* C 14 -0.104 16.579 5.482 147 1H4 C 14 1H4 C 14 -5.508 19.030 3.131 148 2H4 C 14 2H4 C 14 -6.263 19.043 4.710 149 H5 C 14 H5 C 14 -5.012 18.390 6.772 150 H6 C 14 H6 C 14 -2.887 17.686 7.606 151 1H5* A 15 1H5* A 15 0.405 22.350 6.902 152 2H5* A 15 2H5* A 15 1.384 20.910 6.520 153 H4* A 15 H4* A 15 2.047 23.838 6.362 154 H3* A 15 H3* A 15 1.199 22.132 4.443 155 H2* A 15 H2* A 15 2.712 20.384 4.791 156 2HO* A 15 2HO* A 15 3.567 22.231 2.902 157 H1* A 15 H1* A 15 5.013 22.316 5.015 158 H8 A 15 H8 A 15 3.934 18.798 5.485 159 1H6 A 15 1H6 A 15 9.045 18.007 8.873 160 2H6 A 15 2H6 A 15 7.711 17.222 8.033 161 H2 A 15 H2 A 15 8.437 22.400 8.346 162 1H5* C 16 1H5* C 16 1.460 21.922 1.468 163 2H5* C 16 2H5* C 16 1.519 23.401 0.574 164 H4* C 16 H4* C 16 0.128 21.850 -0.511 165 H3* C 16 H3* C 16 -0.881 24.364 -0.295 166 H2* C 16 H2* C 16 -1.765 24.079 1.975 167 2HO* C 16 2HO* C 16 -3.667 23.754 -0.056 168 H1* C 16 H1* C 16 -3.151 21.558 1.034 169 1H4 C 16 1H4 C 16 -3.947 21.587 7.451 170 2H4 C 16 2H4 C 16 -2.224 21.343 7.685 171 H5 C 16 H5 C 16 -0.683 21.152 5.747 172 H6 C 16 H6 C 16 -0.459 21.349 3.390 173 1H5* G 17 1H5* G 17 0.978 23.410 -2.850 174 2H5* G 17 2H5* G 17 0.569 22.557 -4.308 175 H4* G 17 H4* G 17 2.741 22.035 -3.752 176 H3* G 17 H3* G 17 1.109 19.723 -2.644 177 H2* G 17 H2* G 17 3.279 18.776 -2.283 178 2HO* G 17 2HO* G 17 3.775 19.674 -4.575 179 H1* G 17 H1* G 17 4.505 21.336 -1.906 180 H8 G 17 H8 G 17 5.779 20.280 -0.032 181 H1 G 17 H1 G 17 0.517 18.062 2.845 182 1H2 G 17 1H2 G 17 -1.231 18.219 1.492 183 2H2 G 17 2H2 G 17 -1.097 19.035 -0.059 184 1H5* G 18 1H5* G 18 3.174 17.599 -4.129 185 2H5* G 18 2H5* G 18 2.513 16.174 -4.824 186 H4* G 18 H4* G 18 3.814 16.193 -2.478 187 H3* G 18 H3* G 18 1.360 14.483 -2.905 188 H2* G 18 H2* G 18 1.705 13.745 -0.625 189 2HO* G 18 2HO* G 18 4.113 13.883 -1.022 190 H1* G 18 H1* G 18 2.200 16.234 0.398 191 H8 G 18 H8 G 18 -0.549 16.381 -2.264 192 H1 G 18 H1 G 18 -2.537 14.576 3.596 193 1H2 G 18 1H2 G 18 -0.755 14.064 4.863 194 2H2 G 18 2H2 G 18 0.884 14.308 4.277 195 1H5* U 19 1H5* U 19 4.521 12.129 -0.767 196 2H5* U 19 2H5* U 19 4.313 10.408 -1.076 197 H4* U 19 H4* U 19 4.126 11.261 1.345 198 H3* U 19 H3* U 19 1.955 9.467 0.211 199 H2* U 19 H2* U 19 1.055 9.479 2.456 200 2HO* U 19 2HO* U 19 3.188 9.417 3.428 201 H1* U 19 H1* U 19 1.269 12.154 2.820 202 H3 U 19 H3 U 19 -3.228 11.686 2.069 203 H5 U 19 H5 U 19 -1.454 11.835 -1.743 204 H6 U 19 H6 U 19 0.674 11.578 -0.724 205 1H5* A 20 1H5* A 20 3.790 7.441 3.661 206 2H5* A 20 2H5* A 20 3.618 5.678 3.567 207 H4* A 20 H4* A 20 2.439 6.744 5.495 208 H3* A 20 H3* A 20 0.627 5.261 3.522 209 H2* A 20 H2* A 20 -1.116 5.753 5.028 210 2HO* A 20 2HO* A 20 0.545 5.653 6.884 211 H1* A 20 H1* A 20 -0.624 8.249 5.332 212 H8 A 20 H8 A 20 0.467 7.510 1.701 213 1H6 A 20 1H6 A 20 -5.213 9.090 0.053 214 2H6 A 20 2H6 A 20 -3.602 8.622 -0.436 215 H2 A 20 H2 A 20 -5.181 8.628 4.560 216 1H5* C 21 1H5* C 21 -0.792 4.400 7.201 217 2H5* C 21 2H5* C 21 -1.202 2.765 7.420 218 H4* C 21 H4* C 21 -3.119 4.230 7.795 219 H3* C 21 H3* C 21 -3.463 2.454 5.340 220 H2* C 21 H2* C 21 -5.670 3.381 5.206 221 2HO* C 21 2HO* C 21 -5.760 3.423 7.628 222 H1* C 21 H1* C 21 -4.854 5.961 5.526 223 1H4 C 21 1H4 C 21 -4.835 5.612 -0.718 224 2H4 C 21 2H4 C 21 -3.150 5.128 -0.746 225 H5 C 21 H5 C 21 -1.922 4.507 1.368 226 H6 C 21 H6 C 21 -2.104 4.387 3.742 227 1H5* C 22 1H5* C 22 -6.924 1.855 7.823 228 2H5* C 22 2H5* C 22 -7.531 0.191 7.700 229 H4* C 22 H4* C 22 -9.143 1.977 6.895 230 H3* C 22 H3* C 22 -8.204 -0.141 4.935 231 H2* C 22 H2* C 22 -9.692 0.826 3.343 232 2HO* C 22 2HO* C 22 -11.225 1.216 5.234 233 H1* C 22 H1* C 22 -9.114 3.447 3.975 234 1H4 C 22 1H4 C 22 -5.813 2.506 -1.277 235 2H4 C 22 2H4 C 22 -4.431 1.872 -0.409 236 H5 C 22 H5 C 22 -4.499 1.565 2.115 237 H6 C 22 H6 C 22 -5.910 1.677 4.039 238 1H5* U 23 1H5* U 23 -12.374 -0.121 4.218 239 2H5* U 23 2H5* U 23 -12.925 -1.781 3.940 240 H4* U 23 H4* U 23 -13.262 -0.278 1.979 241 H3* U 23 H3* U 23 -11.330 -2.582 1.591 242 H2* U 23 H2* U 23 -11.304 -1.939 -0.754 243 2HO* U 23 2HO* U 23 -13.592 -1.442 -0.767 244 H1* U 23 H1* U 23 -11.118 0.737 -0.240 245 H3 U 23 H3 U 23 -7.049 -0.244 -1.945 246 H5 U 23 H5 U 23 -6.875 -1.665 2.020 247 H6 U 23 H6 U 23 -9.228 -1.212 2.233 248 1H5* U 24 1H5* U 24 -14.628 -2.634 -1.468 249 2H5* U 24 2H5* U 24 -14.909 -4.296 -2.008 250 H4* U 24 H4* U 24 -14.307 -2.663 -3.848 251 H3* U 24 H3* U 24 -12.487 -5.045 -3.377 252 H2* U 24 H2* U 24 -11.385 -4.377 -5.435 253 2HO* U 24 2HO* U 24 -13.586 -3.742 -6.275 254 H1* U 24 H1* U 24 -11.352 -1.694 -4.779 255 H3 U 24 H3 U 24 -6.986 -2.854 -4.490 256 H5 U 24 H5 U 24 -8.673 -4.393 -0.971 257 H6 U 24 H6 U 24 -10.873 -3.911 -1.856 258 1H5* U 25 1H5* U 25 -13.480 -5.255 -7.532 259 2H5* U 25 2H5* U 25 -13.707 -6.951 -7.987 260 H4* U 25 H4* U 25 -11.935 -5.861 -9.310 261 H3* U 25 H3* U 25 -10.927 -8.032 -7.421 262 H2* U 25 H2* U 25 -8.850 -7.801 -8.553 263 2HO* U 25 2HO* U 25 -10.050 -7.503 -10.625 264 H1* U 25 H1* U 25 -8.913 -5.043 -8.570 265 H3 U 25 H3 U 25 -5.607 -6.212 -5.635 266 H5 U 25 H5 U 25 -9.150 -6.660 -3.443 267 H6 U 25 H6 U 25 -10.412 -6.330 -5.481 268 1H5* G 26 1H5* G 26 -9.848 -9.438 -11.305 269 2H5* G 26 2H5* G 26 -9.864 -11.213 -11.343 270 H4* G 26 H4* G 26 -7.609 -10.168 -11.751 271 H3* G 26 H3* G 26 -7.894 -11.930 -9.295 272 H2* G 26 H2* G 26 -5.489 -11.689 -9.066 273 2HO* G 26 2HO* G 26 -5.253 -11.763 -11.448 274 H1* G 26 H1* G 26 -5.529 -8.976 -9.525 275 H8 G 26 H8 G 26 -8.563 -9.640 -7.364 276 H1 G 26 H1 G 26 -2.957 -9.900 -4.202 277 1H2 G 26 1H2 G 26 -1.243 -10.049 -5.725 278 2H2 G 26 2H2 G 26 -1.585 -9.974 -7.446 279 1H5* U 27 1H5* U 27 -4.554 -13.422 -11.865 280 2H5* U 27 2H5* U 27 -4.402 -15.178 -11.691 281 H4* U 27 H4* U 27 -2.322 -13.842 -11.161 282 H3* U 27 H3* U 27 -3.456 -15.567 -8.929 283 H2* U 27 H2* U 27 -1.430 -15.047 -7.776 284 2HO* U 27 2HO* U 27 -0.122 -15.115 -9.733 285 H1* U 27 H1* U 27 -1.560 -12.379 -8.315 286 H3 U 27 H3 U 27 -2.542 -13.083 -3.867 287 H5 U 27 H5 U 27 -6.187 -13.545 -5.920 288 H6 U 27 H6 U 27 -4.974 -13.533 -7.990 289 1H5* G 28 1H5* G 28 0.731 -16.884 -9.764 290 2H5* G 28 2H5* G 28 1.007 -18.527 -9.161 291 H4* G 28 H4* G 28 2.374 -16.600 -8.133 292 H3* G 28 H3* G 28 0.914 -18.475 -6.303 293 H2* G 28 H2* G 28 1.964 -17.226 -4.498 294 2HO* G 28 2HO* G 28 3.470 -15.643 -4.865 295 H1* G 28 H1* G 28 1.244 -14.792 -5.494 296 H8 G 28 H8 G 28 -1.722 -16.759 -6.537 297 H1 G 28 H1 G 28 -1.585 -15.688 -0.208 298 1H2 G 28 1H2 G 28 0.535 -15.183 0.446 299 2H2 G 28 2H2 G 28 1.813 -14.989 -0.741 300 1H5* U 29 1H5* U 29 4.721 -18.188 -4.848 301 2H5* U 29 2H5* U 29 5.464 -19.727 -4.380 302 H4* U 29 H4* U 29 5.355 -18.170 -2.485 303 H3* U 29 H3* U 29 3.568 -20.614 -2.229 304 H2* U 29 H2* U 29 3.085 -19.913 -0.014 305 2HO* U 29 2HO* U 29 5.395 -19.091 0.122 306 H1* U 29 H1* U 29 2.623 -17.311 -0.677 307 H3 U 29 H3 U 29 -1.589 -19.131 -0.029 308 H5 U 29 H5 U 29 -0.657 -19.619 -4.099 309 H6 U 29 H6 U 29 1.563 -19.040 -3.633 310 1H5* C 30 1H5* C 30 6.078 -20.604 1.090 311 2H5* C 30 2H5* C 30 6.595 -22.240 1.532 312 H4* C 30 H4* C 30 5.382 -21.087 3.347 313 H3* C 30 H3* C 30 3.936 -23.475 2.129 314 H2* C 30 H2* C 30 2.344 -23.261 3.906 315 2HO* C 30 2HO* C 30 4.358 -22.639 5.300 316 H1* C 30 H1* C 30 2.366 -20.461 3.858 317 1H4 C 30 1H4 C 30 -2.946 -21.953 0.795 318 2H4 C 30 2H4 C 30 -2.108 -22.214 -0.723 319 H5 C 30 H5 C 30 0.428 -22.317 -0.803 320 H6 C 30 H6 C 30 2.426 -21.983 0.500 321 H3T C 30 HE C 30 4.944 -24.588 3.729 Start of MODEL 8 1 1H5* G 1 1H5* G 1 -11.807 -20.397 7.938 2 2H5* G 1 2H5* G 1 -11.312 -21.460 6.607 3 H4* G 1 H4* G 1 -9.912 -21.425 9.149 4 H3* G 1 H3* G 1 -9.355 -19.880 6.622 5 H2* G 1 H2* G 1 -7.011 -20.042 7.184 6 2HO* G 1 2HO* G 1 -7.639 -19.813 9.533 7 H1* G 1 H1* G 1 -7.127 -22.678 7.868 8 H8 G 1 H8 G 1 -9.439 -22.275 4.886 9 H1 G 1 H1 G 1 -3.206 -22.134 3.320 10 1H2 G 1 1H2 G 1 -1.962 -21.935 5.223 11 2H2 G 1 2H2 G 1 -2.724 -21.907 6.809 12 1H5* G 2 1H5* G 2 -6.820 -18.150 9.651 13 2H5* G 2 2H5* G 2 -6.683 -16.405 9.393 14 H4* G 2 H4* G 2 -4.460 -17.648 9.305 15 H3* G 2 H3* G 2 -5.324 -16.191 6.798 16 H2* G 2 H2* G 2 -3.080 -16.642 6.099 17 2HO* G 2 2HO* G 2 -2.270 -16.246 8.325 18 H1* G 2 H1* G 2 -3.072 -19.246 7.043 19 H8 G 2 H8 G 2 -6.387 -18.713 5.324 20 H1 G 2 H1 G 2 -1.392 -18.946 1.245 21 1H2 G 2 1H2 G 2 0.512 -18.881 2.394 22 2H2 G 2 2H2 G 2 0.529 -18.850 4.154 23 1H5* C 3 1H5* C 3 -1.684 -14.628 8.430 24 2H5* C 3 2H5* C 3 -1.316 -12.959 8.004 25 H4* C 3 H4* C 3 0.269 -14.829 7.219 26 H3* C 3 H3* C 3 -0.904 -12.855 5.198 27 H2* C 3 H2* C 3 0.448 -13.876 3.516 28 2HO* C 3 2HO* C 3 2.228 -14.043 5.136 29 H1* C 3 H1* C 3 -0.002 -16.449 4.352 30 1H4 C 3 1H4 C 3 -4.092 -15.684 -0.408 31 2H4 C 3 2H4 C 3 -5.321 -15.082 0.681 32 H5 C 3 H5 C 3 -4.820 -14.582 3.098 33 H6 C 3 H6 C 3 -3.105 -14.632 4.769 34 1H5* A 4 1H5* A 4 1.248 -8.831 4.321 35 2H5* A 4 2H5* A 4 0.161 -9.509 3.113 36 H4* A 4 H4* A 4 2.912 -10.480 3.940 37 H3* A 4 H3* A 4 1.600 -9.365 1.498 38 H2* A 4 H2* A 4 2.384 -10.947 -0.025 39 2HO* A 4 2HO* A 4 4.490 -10.813 1.334 40 H1* A 4 H1* A 4 2.089 -13.185 1.467 41 H8 A 4 H8 A 4 -0.865 -11.727 2.924 42 1H6 A 4 1H6 A 4 -3.952 -13.001 -2.260 43 2H6 A 4 2H6 A 4 -4.029 -12.574 -0.558 44 H2 A 4 H2 A 4 0.450 -13.180 -3.205 45 1H5* C 5 1H5* C 5 5.222 -8.388 -0.145 46 2H5* C 5 2H5* C 5 5.151 -6.716 -0.733 47 H4* C 5 H4* C 5 5.026 -8.445 -2.541 48 H3* C 5 H3* C 5 2.558 -6.710 -2.195 49 H2* C 5 H2* C 5 1.754 -7.786 -4.203 50 2HO* C 5 2HO* C 5 4.070 -7.752 -5.004 51 H1* C 5 H1* C 5 2.541 -10.313 -3.449 52 1H4 C 5 1H4 C 5 -3.655 -9.596 -2.101 53 2H4 C 5 2H4 C 5 -3.296 -8.841 -0.561 54 H5 C 5 H5 C 5 -0.938 -8.372 0.169 55 H6 C 5 H6 C 5 1.362 -8.444 -0.533 56 1H5* U 6 1H5* U 6 3.281 -6.351 -6.284 57 2H5* U 6 2H5* U 6 2.990 -4.722 -6.905 58 H4* U 6 H4* U 6 1.545 -6.517 -7.923 59 H3* U 6 H3* U 6 0.170 -4.263 -6.449 60 H2* U 6 H2* U 6 -1.937 -5.250 -7.005 61 2HO* U 6 2HO* U 6 -1.005 -5.820 -9.158 62 H1* U 6 H1* U 6 -1.209 -7.824 -6.487 63 H3 U 6 H3 U 6 -4.219 -6.518 -3.287 64 H5 U 6 H5 U 6 -0.403 -5.645 -1.736 65 H6 U 6 H6 U 6 0.517 -6.017 -3.903 66 1H5* C 7 1H5* C 7 -0.662 -3.343 -10.774 67 2H5* C 7 2H5* C 7 -0.797 -1.609 -11.126 68 H4* C 7 H4* C 7 -3.039 -2.762 -10.698 69 H3* C 7 H3* C 7 -2.168 -0.598 -8.752 70 H2* C 7 H2* C 7 -4.319 -0.808 -7.793 71 2HO* C 7 2HO* C 7 -5.538 -0.758 -9.697 72 H1* C 7 H1* C 7 -4.499 -3.597 -8.361 73 1H4 C 7 1H4 C 7 -4.078 -3.223 -2.093 74 2H4 C 7 2H4 C 7 -2.325 -3.101 -2.097 75 H5 C 7 H5 C 7 -1.057 -2.902 -4.337 76 H6 C 7 H6 C 7 -1.384 -2.715 -6.705 77 1H5* U 8 1H5* U 8 -6.025 0.223 -11.407 78 2H5* U 8 2H5* U 8 -6.154 1.986 -11.555 79 H4* U 8 H4* U 8 -8.317 0.870 -10.962 80 H3* U 8 H3* U 8 -7.155 2.814 -8.944 81 H2* U 8 H2* U 8 -9.227 2.542 -7.738 82 2HO* U 8 2HO* U 8 -10.389 2.466 -9.846 83 H1* U 8 H1* U 8 -9.335 -0.189 -8.047 84 H3 U 8 H3 U 8 -8.509 0.533 -3.598 85 H5 U 8 H5 U 8 -4.750 0.783 -5.485 86 H6 U 8 H6 U 8 -5.865 0.802 -7.613 87 1H5* G 9 1H5* G 9 -11.297 4.240 -9.765 88 2H5* G 9 2H5* G 9 -11.348 5.994 -9.512 89 H4* G 9 H4* G 9 -12.842 4.640 -7.983 90 H3* G 9 H3* G 9 -10.694 6.354 -6.712 91 H2* G 9 H2* G 9 -11.640 5.697 -4.573 92 2HO* G 9 2HO* G 9 -13.837 5.734 -5.599 93 H1* G 9 H1* G 9 -11.798 3.050 -5.196 94 H8 G 9 H8 G 9 -8.597 4.432 -6.793 95 H1 G 9 H1 G 9 -8.129 3.177 -0.512 96 1H2 G 9 1H2 G 9 -10.210 3.031 0.381 97 2H2 G 9 2H2 G 9 -11.623 2.981 -0.666 98 1H5* G 10 1H5* G 10 -14.549 7.213 -4.669 99 2H5* G 10 2H5* G 10 -14.575 8.897 -4.128 100 H4* G 10 H4* G 10 -14.844 7.133 -2.312 101 H3* G 10 H3* G 10 -12.589 9.141 -2.113 102 H2* G 10 H2* G 10 -12.105 8.179 0.057 103 2HO* G 10 2HO* G 10 -14.502 7.907 0.370 104 H1* G 10 H1* G 10 -12.334 5.580 -0.766 105 H8 G 10 H8 G 10 -10.609 7.364 -3.625 106 H1 G 10 H1 G 10 -6.761 6.129 1.373 107 1H2 G 10 1H2 G 10 -8.027 5.768 3.228 108 2H2 G 10 2H2 G 10 -9.778 5.635 3.108 109 1H5* U 11 1H5* U 11 -14.665 9.179 1.809 110 2H5* U 11 2H5* U 11 -14.647 10.835 2.443 111 H4* U 11 H4* U 11 -13.466 9.147 3.939 112 H3* U 11 H3* U 11 -11.778 11.399 2.857 113 H2* U 11 H2* U 11 -10.122 10.511 4.380 114 2HO* U 11 2HO* U 11 -11.644 10.023 6.057 115 H1* U 11 H1* U 11 -10.494 7.920 3.650 116 H3 U 11 H3 U 11 -6.464 9.353 2.053 117 H5 U 11 H5 U 11 -9.286 10.554 -0.842 118 H6 U 11 H6 U 11 -11.033 9.981 0.695 119 1H5* A 12 1H5* A 12 -12.939 12.435 7.162 120 2H5* A 12 2H5* A 12 -12.447 14.063 7.659 121 H4* A 12 H4* A 12 -10.964 12.108 8.413 122 H3* A 12 H3* A 12 -9.755 14.410 6.896 123 H2* A 12 H2* A 12 -7.630 13.368 7.288 124 2HO* A 12 2HO* A 12 -8.044 12.795 9.468 125 H1* A 12 H1* A 12 -8.529 10.789 6.691 126 H8 A 12 H8 A 12 -10.105 13.203 4.317 127 1H6 A 12 1H6 A 12 -5.002 12.760 0.872 128 2H6 A 12 2H6 A 12 -6.693 13.231 0.945 129 H2 A 12 H2 A 12 -4.006 11.287 5.004 130 1H5* U 13 1H5* U 13 -6.490 15.808 11.189 131 2H5* U 13 2H5* U 13 -6.582 16.438 9.547 132 H4* U 13 H4* U 13 -4.938 14.126 10.596 133 H3* U 13 H3* U 13 -4.603 16.621 8.917 134 H2* U 13 H2* U 13 -2.868 15.697 7.645 135 2HO* U 13 2HO* U 13 -2.158 14.580 9.766 136 H1* U 13 H1* U 13 -4.032 13.250 7.276 137 H3 U 13 H3 U 13 -4.635 15.176 3.203 138 H5 U 13 H5 U 13 -7.961 16.269 5.555 139 H6 U 13 H6 U 13 -6.715 15.628 7.504 140 1H5* C 14 1H5* C 14 -0.928 16.446 9.597 141 2H5* C 14 2H5* C 14 -0.284 17.964 10.255 142 H4* C 14 H4* C 14 0.792 17.612 8.161 143 H3* C 14 H3* C 14 -1.477 19.555 7.697 144 H2* C 14 H2* C 14 -0.385 19.887 5.509 145 2HO* C 14 2HO* C 14 1.497 18.736 4.996 146 H1* C 14 H1* C 14 -0.382 17.193 5.093 147 1H4 C 14 1H4 C 14 -6.099 19.152 3.058 148 2H4 C 14 2H4 C 14 -6.775 19.078 4.671 149 H5 C 14 H5 C 14 -5.359 18.484 6.660 150 H6 C 14 H6 C 14 -3.144 17.981 7.369 151 1H5* A 15 1H5* A 15 -0.530 23.020 6.334 152 2H5* A 15 2H5* A 15 0.639 21.700 6.092 153 H4* A 15 H4* A 15 0.960 24.671 5.784 154 H3* A 15 H3* A 15 0.529 22.742 3.918 155 H2* A 15 H2* A 15 2.208 21.249 4.612 156 2HO* A 15 2HO* A 15 3.681 21.242 2.958 157 H1* A 15 H1* A 15 4.131 23.562 4.749 158 H8 A 15 H8 A 15 3.458 19.991 5.877 159 1H6 A 15 1H6 A 15 8.735 20.407 9.075 160 2H6 A 15 2H6 A 15 7.441 19.347 8.523 161 H2 A 15 H2 A 15 7.765 24.477 7.519 162 1H5* C 16 1H5* C 16 0.725 22.500 1.125 163 2H5* C 16 2H5* C 16 0.872 23.965 0.187 164 H4* C 16 H4* C 16 -0.465 22.466 -1.001 165 H3* C 16 H3* C 16 -1.508 24.955 -0.675 166 H2* C 16 H2* C 16 -2.631 24.539 1.395 167 2HO* C 16 2HO* C 16 -4.241 24.198 -0.858 168 H1* C 16 H1* C 16 -3.781 21.983 0.338 169 1H4 C 16 1H4 C 16 -4.734 21.903 6.748 170 2H4 C 16 2H4 C 16 -3.008 21.764 7.033 171 H5 C 16 H5 C 16 -1.402 21.668 5.132 172 H6 C 16 H6 C 16 -1.126 21.895 2.792 173 1H5* G 17 1H5* G 17 -0.857 21.586 -4.459 174 2H5* G 17 2H5* G 17 -0.880 21.369 -2.711 175 H4* G 17 H4* G 17 1.564 22.093 -4.407 176 H3* G 17 H3* G 17 0.736 19.566 -2.926 177 H2* G 17 H2* G 17 3.008 19.150 -2.530 178 2HO* G 17 2HO* G 17 3.283 19.859 -4.933 179 H1* G 17 H1* G 17 3.770 21.896 -2.454 180 H8 G 17 H8 G 17 5.189 21.048 -0.423 181 H1 G 17 H1 G 17 0.024 18.631 2.508 182 1H2 G 17 1H2 G 17 -1.713 18.639 1.170 183 2H2 G 17 2H2 G 17 -1.618 19.327 -0.442 184 1H5* G 18 1H5* G 18 3.175 17.570 -4.274 185 2H5* G 18 2H5* G 18 2.730 15.906 -4.672 186 H4* G 18 H4* G 18 3.977 16.485 -2.407 187 H3* G 18 H3* G 18 1.634 14.584 -2.594 188 H2* G 18 H2* G 18 1.931 14.192 -0.238 189 2HO* G 18 2HO* G 18 4.352 14.405 -0.603 190 H1* G 18 H1* G 18 2.259 16.819 0.444 191 H8 G 18 H8 G 18 -0.386 16.511 -2.286 192 H1 G 18 H1 G 18 -2.467 14.780 3.549 193 1H2 G 18 1H2 G 18 -0.699 14.494 4.918 194 2H2 G 18 2H2 G 18 0.929 14.888 4.395 195 1H5* U 19 1H5* U 19 4.714 12.651 -0.142 196 2H5* U 19 2H5* U 19 4.680 10.903 -0.377 197 H4* U 19 H4* U 19 4.264 11.743 1.983 198 H3* U 19 H3* U 19 2.178 9.945 0.701 199 H2* U 19 H2* U 19 1.145 9.926 2.884 200 2HO* U 19 2HO* U 19 3.133 9.845 4.052 201 H1* U 19 H1* U 19 1.325 12.607 3.264 202 H3 U 19 H3 U 19 -3.109 11.779 2.309 203 H5 U 19 H5 U 19 -1.200 12.271 -1.411 204 H6 U 19 H6 U 19 0.902 12.188 -0.303 205 1H5* A 20 1H5* A 20 3.855 7.857 4.221 206 2H5* A 20 2H5* A 20 3.675 6.097 4.079 207 H4* A 20 H4* A 20 2.409 7.157 5.982 208 H3* A 20 H3* A 20 0.718 5.669 3.916 209 H2* A 20 H2* A 20 -1.101 6.115 5.321 210 2HO* A 20 2HO* A 20 -0.932 7.014 7.322 211 H1* A 20 H1* A 20 -0.646 8.613 5.671 212 H8 A 20 H8 A 20 0.594 7.980 2.076 213 1H6 A 20 1H6 A 20 -5.165 9.118 0.282 214 2H6 A 20 2H6 A 20 -3.504 8.820 -0.170 215 H2 A 20 H2 A 20 -5.198 8.663 4.788 216 1H5* C 21 1H5* C 21 -0.650 4.749 7.517 217 2H5* C 21 2H5* C 21 -0.998 3.124 7.805 218 H4* C 21 H4* C 21 -2.982 4.479 8.175 219 H3* C 21 H3* C 21 -3.263 2.691 5.723 220 H2* C 21 H2* C 21 -5.502 3.522 5.579 221 2HO* C 21 2HO* C 21 -5.630 3.567 7.988 222 H1* C 21 H1* C 21 -4.797 6.133 5.887 223 1H4 C 21 1H4 C 21 -4.772 5.705 -0.353 224 2H4 C 21 2H4 C 21 -3.068 5.291 -0.383 225 H5 C 21 H5 C 21 -1.804 4.768 1.737 226 H6 C 21 H6 C 21 -1.973 4.667 4.108 227 1H5* C 22 1H5* C 22 -6.720 1.915 8.195 228 2H5* C 22 2H5* C 22 -7.259 0.231 8.032 229 H4* C 22 H4* C 22 -8.923 1.986 7.246 230 H3* C 22 H3* C 22 -7.928 -0.080 5.258 231 H2* C 22 H2* C 22 -9.450 0.870 3.683 232 2HO* C 22 2HO* C 22 -10.978 1.217 5.589 233 H1* C 22 H1* C 22 -8.901 3.489 4.321 234 1H4 C 22 1H4 C 22 -5.523 2.549 -0.889 235 2H4 C 22 2H4 C 22 -4.132 1.975 0.010 236 H5 C 22 H5 C 22 -4.235 1.665 2.528 237 H6 C 22 H6 C 22 -5.668 1.784 4.432 238 1H5* U 23 1H5* U 23 -12.087 -0.155 4.527 239 2H5* U 23 2H5* U 23 -12.601 -1.826 4.248 240 H4* U 23 H4* U 23 -12.979 -0.331 2.293 241 H3* U 23 H3* U 23 -10.988 -2.583 1.887 242 H2* U 23 H2* U 23 -10.991 -1.932 -0.455 243 2HO* U 23 2HO* U 23 -13.331 -1.469 -0.345 244 H1* U 23 H1* U 23 -10.863 0.743 0.068 245 H3 U 23 H3 U 23 -6.777 -0.183 -1.642 246 H5 U 23 H5 U 23 -6.573 -1.571 2.330 247 H6 U 23 H6 U 23 -8.928 -1.143 2.548 248 1H5* U 24 1H5* U 24 -14.207 -2.732 -1.202 249 2H5* U 24 2H5* U 24 -14.433 -4.394 -1.761 250 H4* U 24 H4* U 24 -13.826 -2.705 -3.558 251 H3* U 24 H3* U 24 -11.995 -5.082 -3.120 252 H2* U 24 H2* U 24 -10.875 -4.350 -5.150 253 2HO* U 24 2HO* U 24 -13.068 -3.705 -6.002 254 H1* U 24 H1* U 24 -10.871 -1.691 -4.425 255 H3 U 24 H3 U 24 -6.499 -2.885 -4.124 256 H5 U 24 H5 U 24 -8.225 -4.511 -0.669 257 H6 U 24 H6 U 24 -10.417 -3.965 -1.543 258 1H5* U 25 1H5* U 25 -13.030 -5.142 -7.309 259 2H5* U 25 2H5* U 25 -13.212 -6.821 -7.841 260 H4* U 25 H4* U 25 -11.490 -5.594 -9.127 261 H3* U 25 H3* U 25 -10.414 -7.872 -7.412 262 H2* U 25 H2* U 25 -8.356 -7.532 -8.554 263 2HO* U 25 2HO* U 25 -9.601 -7.070 -10.577 264 H1* U 25 H1* U 25 -8.433 -4.796 -8.317 265 H3 U 25 H3 U 25 -5.188 -6.184 -5.411 266 H5 U 25 H5 U 25 -8.772 -6.745 -3.324 267 H6 U 25 H6 U 25 -9.986 -6.306 -5.362 268 1H5* G 26 1H5* G 26 -9.385 -8.975 -11.372 269 2H5* G 26 2H5* G 26 -9.439 -10.738 -11.568 270 H4* G 26 H4* G 26 -7.165 -9.731 -11.912 271 H3* G 26 H3* G 26 -7.466 -11.636 -9.566 272 H2* G 26 H2* G 26 -5.049 -11.484 -9.378 273 2HO* G 26 2HO* G 26 -4.923 -11.377 -11.794 274 H1* G 26 H1* G 26 -5.045 -8.733 -9.637 275 H8 G 26 H8 G 26 -8.059 -9.446 -7.509 276 H1 G 26 H1 G 26 -2.479 -10.211 -4.395 277 1H2 G 26 1H2 G 26 -0.783 -10.393 -5.929 278 2H2 G 26 2H2 G 26 -1.114 -10.206 -7.645 279 1H5* U 27 1H5* U 27 -4.214 -13.125 -12.107 280 2H5* U 27 2H5* U 27 -4.227 -14.897 -12.106 281 H4* U 27 H4* U 27 -2.052 -13.901 -11.399 282 H3* U 27 H3* U 27 -3.494 -15.517 -9.264 283 H2* U 27 H2* U 27 -1.434 -15.338 -8.053 284 2HO* U 27 2HO* U 27 -0.056 -15.533 -9.902 285 H1* U 27 H1* U 27 -1.197 -12.657 -8.492 286 H3 U 27 H3 U 27 -2.387 -13.395 -4.098 287 H5 U 27 H5 U 27 -6.006 -13.407 -6.257 288 H6 U 27 H6 U 27 -4.745 -13.391 -8.297 289 1H5* G 28 1H5* G 28 0.429 -17.456 -10.139 290 2H5* G 28 2H5* G 28 0.449 -19.133 -9.567 291 H4* G 28 H4* G 28 2.097 -17.467 -8.504 292 H3* G 28 H3* G 28 0.341 -19.107 -6.706 293 H2* G 28 H2* G 28 1.598 -18.072 -4.886 294 2HO* G 28 2HO* G 28 3.338 -16.749 -5.250 295 H1* G 28 H1* G 28 1.277 -15.543 -5.843 296 H8 G 28 H8 G 28 -1.973 -17.049 -6.872 297 H1 G 28 H1 G 28 -1.588 -16.132 -0.530 298 1H2 G 28 1H2 G 28 0.592 -15.938 0.085 299 2H2 G 28 2H2 G 28 1.862 -15.852 -1.126 300 1H5* U 29 1H5* U 29 4.148 -19.456 -5.277 301 2H5* U 29 2H5* U 29 4.641 -21.099 -4.832 302 H4* U 29 H4* U 29 4.793 -19.561 -2.921 303 H3* U 29 H3* U 29 2.650 -21.704 -2.681 304 H2* U 29 H2* U 29 2.292 -20.972 -0.453 305 2HO* U 29 2HO* U 29 4.696 -20.516 -0.311 306 H1* U 29 H1* U 29 2.223 -18.323 -1.080 307 H3 U 29 H3 U 29 -2.209 -19.512 -0.430 308 H5 U 29 H5 U 29 -1.385 -20.032 -4.520 309 H6 U 29 H6 U 29 0.898 -19.794 -4.067 310 1H5* C 30 1H5* C 30 5.191 -22.136 0.582 311 2H5* C 30 2H5* C 30 5.472 -23.836 0.999 312 H4* C 30 H4* C 30 4.476 -22.534 2.849 313 H3* C 30 H3* C 30 2.690 -24.687 1.640 314 H2* C 30 H2* C 30 1.184 -24.284 3.455 315 2HO* C 30 2HO* C 30 3.291 -23.964 4.808 316 H1* C 30 H1* C 30 1.582 -21.514 3.432 317 1H4 C 30 1H4 C 30 -3.949 -22.159 0.516 318 2H4 C 30 2H4 C 30 -3.202 -22.436 -1.048 319 H5 C 30 H5 C 30 -0.700 -22.902 -1.219 320 H6 C 30 H6 C 30 1.355 -22.909 0.035 321 H3T C 30 HE C 30 3.567 -25.946 3.215 Start of MODEL 9 1 1H5* G 1 1H5* G 1 -11.149 -19.850 6.497 2 2H5* G 1 2H5* G 1 -10.549 -21.000 5.296 3 H4* G 1 H4* G 1 -9.798 -21.110 8.098 4 H3* G 1 H3* G 1 -8.405 -19.861 5.735 5 H2* G 1 H2* G 1 -6.298 -20.428 6.810 6 2HO* G 1 2HO* G 1 -7.261 -20.050 8.976 7 H1* G 1 H1* G 1 -6.992 -22.994 7.205 8 H8 G 1 H8 G 1 -8.957 -22.256 4.112 9 H1 G 1 H1 G 1 -2.643 -22.128 2.925 10 1H2 G 1 1H2 G 1 -1.501 -22.218 4.891 11 2H2 G 1 2H2 G 1 -2.344 -22.427 6.422 12 1H5* G 2 1H5* G 2 -6.380 -18.407 9.206 13 2H5* G 2 2H5* G 2 -5.870 -16.732 9.000 14 H4* G 2 H4* G 2 -4.061 -18.485 9.540 15 H3* G 2 H3* G 2 -3.738 -16.645 7.187 16 H2* G 2 H2* G 2 -1.618 -17.641 6.743 17 2HO* G 2 2HO* G 2 -1.314 -17.912 9.126 18 H1* G 2 H1* G 2 -2.522 -20.193 6.897 19 H8 G 2 H8 G 2 -5.609 -19.025 5.384 20 H1 G 2 H1 G 2 -0.701 -18.261 1.326 21 1H2 G 2 1H2 G 2 1.239 -18.343 2.447 22 2H2 G 2 2H2 G 2 1.284 -18.532 4.198 23 1H5* C 3 1H5* C 3 -3.258 -12.582 7.952 24 2H5* C 3 2H5* C 3 -4.023 -13.327 6.556 25 H4* C 3 H4* C 3 -1.282 -14.026 7.723 26 H3* C 3 H3* C 3 -2.318 -12.549 5.290 27 H2* C 3 H2* C 3 -0.342 -13.188 4.104 28 2HO* C 3 2HO* C 3 0.888 -12.995 6.202 29 H1* C 3 H1* C 3 -0.513 -15.801 4.833 30 1H4 C 3 1H4 C 3 -4.116 -15.546 -0.438 31 2H4 C 3 2H4 C 3 -5.539 -15.337 0.552 32 H5 C 3 H5 C 3 -5.425 -15.042 3.012 33 H6 C 3 H6 C 3 -3.935 -14.895 4.893 34 1H5* A 4 1H5* A 4 1.575 -10.891 5.904 35 2H5* A 4 2H5* A 4 1.639 -9.157 5.526 36 H4* A 4 H4* A 4 3.082 -10.610 4.065 37 H3* A 4 H3* A 4 0.869 -9.000 2.762 38 H2* A 4 H2* A 4 1.655 -9.791 0.649 39 2HO* A 4 2HO* A 4 3.914 -9.579 1.504 40 H1* A 4 H1* A 4 2.016 -12.385 1.422 41 H8 A 4 H8 A 4 -1.153 -11.247 3.168 42 1H6 A 4 1H6 A 4 -4.105 -12.781 -2.034 43 2H6 A 4 2H6 A 4 -4.237 -12.365 -0.333 44 H2 A 4 H2 A 4 0.299 -12.639 -2.938 45 1H5* C 5 1H5* C 5 4.510 -7.824 0.600 46 2H5* C 5 2H5* C 5 4.368 -6.140 0.056 47 H4* C 5 H4* C 5 4.513 -7.852 -1.804 48 H3* C 5 H3* C 5 1.999 -6.159 -1.650 49 H2* C 5 H2* C 5 1.351 -7.230 -3.714 50 2HO* C 5 2HO* C 5 3.727 -7.174 -4.331 51 H1* C 5 H1* C 5 2.088 -9.754 -2.923 52 1H4 C 5 1H4 C 5 -4.177 -9.297 -1.915 53 2H4 C 5 2H4 C 5 -3.929 -8.525 -0.364 54 H5 C 5 H5 C 5 -1.644 -7.927 0.479 55 H6 C 5 H6 C 5 0.679 -7.885 -0.094 56 1H5* U 6 1H5* U 6 3.010 -5.807 -5.695 57 2H5* U 6 2H5* U 6 2.717 -4.191 -6.343 58 H4* U 6 H4* U 6 1.393 -6.031 -7.438 59 H3* U 6 H3* U 6 -0.143 -3.798 -6.093 60 H2* U 6 H2* U 6 -2.179 -4.848 -6.770 61 2HO* U 6 2HO* U 6 -1.061 -5.425 -8.845 62 H1* U 6 H1* U 6 -1.431 -7.391 -6.169 63 H3 U 6 H3 U 6 -4.653 -6.147 -3.168 64 H5 U 6 H5 U 6 -0.964 -5.157 -1.404 65 H6 U 6 H6 U 6 0.085 -5.494 -3.515 66 1H5* C 7 1H5* C 7 -0.718 -2.977 -10.467 67 2H5* C 7 2H5* C 7 -0.880 -1.254 -10.853 68 H4* C 7 H4* C 7 -3.109 -2.470 -10.552 69 H3* C 7 H3* C 7 -2.431 -0.248 -8.597 70 H2* C 7 H2* C 7 -4.632 -0.515 -7.769 71 2HO* C 7 2HO* C 7 -5.742 -0.535 -9.725 72 H1* C 7 H1* C 7 -4.692 -3.314 -8.300 73 1H4 C 7 1H4 C 7 -4.678 -2.890 -2.016 74 2H4 C 7 2H4 C 7 -2.937 -2.697 -1.917 75 H5 C 7 H5 C 7 -1.541 -2.464 -4.074 76 H6 C 7 H6 C 7 -1.722 -2.300 -6.457 77 1H5* U 8 1H5* U 8 -6.170 0.440 -11.444 78 2H5* U 8 2H5* U 8 -6.348 2.198 -11.599 79 H4* U 8 H4* U 8 -8.492 1.025 -11.051 80 H3* U 8 H3* U 8 -7.419 2.995 -9.007 81 H2* U 8 H2* U 8 -9.502 2.671 -7.838 82 2HO* U 8 2HO* U 8 -10.609 2.585 -9.983 83 H1* U 8 H1* U 8 -9.559 -0.061 -8.184 84 H3 U 8 H3 U 8 -8.840 0.431 -3.704 85 H5 U 8 H5 U 8 -5.073 1.056 -5.482 86 H6 U 8 H6 U 8 -6.148 1.151 -7.632 87 1H5* G 9 1H5* G 9 -11.538 4.396 -9.838 88 2H5* G 9 2H5* G 9 -11.568 6.154 -9.605 89 H4* G 9 H4* G 9 -13.067 4.867 -8.044 90 H3* G 9 H3* G 9 -10.833 6.492 -6.799 91 H2* G 9 H2* G 9 -11.787 5.877 -4.652 92 2HO* G 9 2HO* G 9 -13.986 6.026 -5.643 93 H1* G 9 H1* G 9 -12.083 3.240 -5.281 94 H8 G 9 H8 G 9 -8.822 4.509 -6.866 95 H1 G 9 H1 G 9 -8.409 3.135 -0.604 96 1H2 G 9 1H2 G 9 -10.497 3.055 0.285 97 2H2 G 9 2H2 G 9 -11.908 3.066 -0.765 98 1H5* G 10 1H5* G 10 -14.640 7.550 -4.745 99 2H5* G 10 2H5* G 10 -14.569 9.231 -4.198 100 H4* G 10 H4* G 10 -14.942 7.472 -2.393 101 H3* G 10 H3* G 10 -12.591 9.364 -2.172 102 H2* G 10 H2* G 10 -12.155 8.364 -0.012 103 2HO* G 10 2HO* G 10 -14.559 8.224 0.308 104 H1* G 10 H1* G 10 -12.530 5.784 -0.838 105 H8 G 10 H8 G 10 -10.698 7.487 -3.680 106 H1 G 10 H1 G 10 -6.940 6.002 1.320 107 1H2 G 10 1H2 G 10 -8.228 5.695 3.165 108 2H2 G 10 2H2 G 10 -9.983 5.648 3.041 109 1H5* U 11 1H5* U 11 -14.729 9.521 1.742 110 2H5* U 11 2H5* U 11 -14.595 11.165 2.391 111 H4* U 11 H4* U 11 -13.551 9.361 3.860 112 H3* U 11 H3* U 11 -11.719 11.549 2.874 113 H2* U 11 H2* U 11 -10.110 10.517 4.345 114 2HO* U 11 2HO* U 11 -11.718 10.073 5.984 115 H1* U 11 H1* U 11 -10.626 7.972 3.546 116 H3 U 11 H3 U 11 -6.533 9.202 1.959 117 H5 U 11 H5 U 11 -9.297 10.664 -0.869 118 H6 U 11 H6 U 11 -11.055 10.170 0.664 119 1H5* A 12 1H5* A 12 -12.968 12.565 7.204 120 2H5* A 12 2H5* A 12 -12.414 14.161 7.730 121 H4* A 12 H4* A 12 -10.974 12.159 8.408 122 H3* A 12 H3* A 12 -9.739 14.457 6.904 123 H2* A 12 H2* A 12 -7.630 13.366 7.255 124 2HO* A 12 2HO* A 12 -8.025 12.774 9.435 125 H1* A 12 H1* A 12 -8.582 10.821 6.649 126 H8 A 12 H8 A 12 -10.143 13.286 4.313 127 1H6 A 12 1H6 A 12 -5.155 12.607 0.744 128 2H6 A 12 2H6 A 12 -6.822 13.153 0.854 129 H2 A 12 H2 A 12 -4.101 11.154 4.865 130 1H5* U 13 1H5* U 13 -6.414 15.730 11.216 131 2H5* U 13 2H5* U 13 -6.495 16.398 9.589 132 H4* U 13 H4* U 13 -4.879 14.055 10.596 133 H3* U 13 H3* U 13 -4.524 16.533 8.889 134 H2* U 13 H2* U 13 -2.793 15.543 7.624 135 2HO* U 13 2HO* U 13 -2.122 14.427 9.753 136 H1* U 13 H1* U 13 -4.044 13.149 7.262 137 H3 U 13 H3 U 13 -4.707 15.046 3.187 138 H5 U 13 H5 U 13 -7.904 16.317 5.621 139 H6 U 13 H6 U 13 -6.639 15.636 7.540 140 1H5* C 14 1H5* C 14 -0.776 16.180 9.526 141 2H5* C 14 2H5* C 14 -0.049 17.688 10.115 142 H4* C 14 H4* C 14 0.991 17.169 8.031 143 H3* C 14 H3* C 14 -1.106 19.285 7.521 144 H2* C 14 H2* C 14 -0.027 19.416 5.301 145 2HO* C 14 2HO* C 14 1.785 18.119 4.847 146 H1* C 14 H1* C 14 -0.232 16.730 4.984 147 1H4 C 14 1H4 C 14 -5.826 19.024 2.928 148 2H4 C 14 2H4 C 14 -6.477 19.057 4.553 149 H5 C 14 H5 C 14 -5.086 18.453 6.541 150 H6 C 14 H6 C 14 -2.904 17.815 7.249 151 1H5* A 15 1H5* A 15 0.130 22.684 6.217 152 2H5* A 15 2H5* A 15 1.133 21.246 5.963 153 H4* A 15 H4* A 15 1.737 24.140 5.478 154 H3* A 15 H3* A 15 1.189 22.070 3.804 155 H2* A 15 H2* A 15 2.732 20.504 4.669 156 2HO* A 15 2HO* A 15 3.720 21.979 2.531 157 H1* A 15 H1* A 15 4.880 22.578 4.713 158 H8 A 15 H8 A 15 3.204 19.871 6.913 159 1H6 A 15 1H6 A 15 8.952 18.794 8.975 160 2H6 A 15 2H6 A 15 7.266 18.289 9.039 161 H2 A 15 H2 A 15 9.124 22.247 6.157 162 1H5* C 16 1H5* C 16 1.518 21.747 0.737 163 2H5* C 16 2H5* C 16 1.517 23.180 -0.249 164 H4* C 16 H4* C 16 0.143 21.492 -1.189 165 H3* C 16 H3* C 16 -0.854 24.020 -1.177 166 H2* C 16 H2* C 16 -1.755 23.895 1.100 167 2HO* C 16 2HO* C 16 -3.660 23.398 -0.904 168 H1* C 16 H1* C 16 -3.108 21.298 0.305 169 1H4 C 16 1H4 C 16 -4.161 21.751 6.669 170 2H4 C 16 2H4 C 16 -2.443 21.550 6.977 171 H5 C 16 H5 C 16 -0.833 21.278 5.127 172 H6 C 16 H6 C 16 -0.504 21.342 2.776 173 1H5* G 17 1H5* G 17 1.049 22.769 -3.951 174 2H5* G 17 2H5* G 17 0.566 21.514 -5.059 175 H4* G 17 H4* G 17 2.845 21.338 -4.426 176 H3* G 17 H3* G 17 1.232 19.089 -3.188 177 H2* G 17 H2* G 17 3.390 18.225 -2.630 178 2HO* G 17 2HO* G 17 3.981 18.942 -4.969 179 H1* G 17 H1* G 17 4.581 20.817 -2.406 180 H8 G 17 H8 G 17 5.725 19.876 -0.315 181 H1 G 17 H1 G 17 0.159 18.040 2.267 182 1H2 G 17 1H2 G 17 -1.456 18.048 0.701 183 2H2 G 17 2H2 G 17 -1.129 18.679 -0.901 184 1H5* G 18 1H5* G 18 3.332 16.872 -4.405 185 2H5* G 18 2H5* G 18 2.701 15.374 -4.999 186 H4* G 18 H4* G 18 3.845 15.626 -2.587 187 H3* G 18 H3* G 18 1.391 13.906 -2.999 188 H2* G 18 H2* G 18 1.648 13.353 -0.649 189 2HO* G 18 2HO* G 18 4.029 13.357 -0.891 190 H1* G 18 H1* G 18 2.142 15.924 0.162 191 H8 G 18 H8 G 18 -0.564 15.839 -2.551 192 H1 G 18 H1 G 18 -2.632 14.520 3.407 193 1H2 G 18 1H2 G 18 -0.872 14.118 4.740 194 2H2 G 18 2H2 G 18 0.775 14.308 4.158 195 1H5* U 19 1H5* U 19 4.526 11.705 -0.621 196 2H5* U 19 2H5* U 19 4.305 9.966 -0.809 197 H4* U 19 H4* U 19 4.102 10.993 1.548 198 H3* U 19 H3* U 19 1.948 9.121 0.504 199 H2* U 19 H2* U 19 1.006 9.278 2.721 200 2HO* U 19 2HO* U 19 3.155 9.282 3.701 201 H1* U 19 H1* U 19 1.240 11.976 2.926 202 H3 U 19 H3 U 19 -3.247 11.583 2.189 203 H5 U 19 H5 U 19 -1.479 11.410 -1.623 204 H6 U 19 H6 U 19 0.651 11.146 -0.581 205 1H5* A 20 1H5* A 20 3.642 7.313 4.143 206 2H5* A 20 2H5* A 20 3.492 5.545 4.098 207 H4* A 20 H4* A 20 2.207 6.627 5.943 208 H3* A 20 H3* A 20 0.477 5.154 3.890 209 H2* A 20 H2* A 20 -1.306 5.635 5.322 210 2HO* A 20 2HO* A 20 -1.087 6.530 7.321 211 H1* A 20 H1* A 20 -0.817 8.139 5.623 212 H8 A 20 H8 A 20 0.375 7.279 2.050 213 1H6 A 20 1H6 A 20 -5.248 8.951 0.228 214 2H6 A 20 2H6 A 20 -3.633 8.460 -0.220 215 H2 A 20 H2 A 20 -5.311 8.604 4.745 216 1H5* C 21 1H5* C 21 -0.928 4.290 7.515 217 2H5* C 21 2H5* C 21 -1.364 2.673 7.772 218 H4* C 21 H4* C 21 -3.267 4.142 8.157 219 H3* C 21 H3* C 21 -3.633 2.367 5.706 220 H2* C 21 H2* C 21 -5.828 3.308 5.552 221 2HO* C 21 2HO* C 21 -5.939 3.361 7.968 222 H1* C 21 H1* C 21 -5.007 5.884 5.865 223 1H4 C 21 1H4 C 21 -4.962 5.524 -0.374 224 2H4 C 21 2H4 C 21 -3.284 5.016 -0.399 225 H5 C 21 H5 C 21 -2.071 4.380 1.718 226 H6 C 21 H6 C 21 -2.254 4.271 4.086 227 1H5* C 22 1H5* C 22 -7.155 1.771 8.127 228 2H5* C 22 2H5* C 22 -7.745 0.103 7.972 229 H4* C 22 H4* C 22 -9.346 1.885 7.140 230 H3* C 22 H3* C 22 -8.352 -0.202 5.171 231 H2* C 22 H2* C 22 -9.812 0.783 3.568 232 2HO* C 22 2HO* C 22 -11.378 1.139 5.440 233 H1* C 22 H1* C 22 -9.251 3.395 4.246 234 1H4 C 22 1H4 C 22 -5.848 2.468 -0.948 235 2H4 C 22 2H4 C 22 -4.482 1.831 -0.055 236 H5 C 22 H5 C 22 -4.609 1.485 2.463 237 H6 C 22 H6 C 22 -6.058 1.604 4.359 238 1H5* U 23 1H5* U 23 -12.534 -0.167 4.402 239 2H5* U 23 2H5* U 23 -13.081 -1.816 4.066 240 H4* U 23 H4* U 23 -13.385 -0.223 2.160 241 H3* U 23 H3* U 23 -11.532 -2.579 1.711 242 H2* U 23 H2* U 23 -11.452 -1.870 -0.610 243 2HO* U 23 2HO* U 23 -13.761 -1.292 -0.536 244 H1* U 23 H1* U 23 -11.199 0.788 -0.026 245 H3 U 23 H3 U 23 -7.127 -0.210 -1.695 246 H5 U 23 H5 U 23 -7.032 -1.731 2.234 247 H6 U 23 H6 U 23 -9.381 -1.257 2.420 248 1H5* U 24 1H5* U 24 -14.716 -2.480 -1.464 249 2H5* U 24 2H5* U 24 -15.026 -4.137 -2.005 250 H4* U 24 H4* U 24 -14.293 -2.564 -3.841 251 H3* U 24 H3* U 24 -12.506 -4.931 -3.219 252 H2* U 24 H2* U 24 -11.317 -4.338 -5.228 253 2HO* U 24 2HO* U 24 -12.041 -2.794 -6.640 254 H1* U 24 H1* U 24 -11.310 -1.634 -4.627 255 H3 U 24 H3 U 24 -6.969 -2.830 -4.207 256 H5 U 24 H5 U 24 -8.771 -4.339 -0.732 257 H6 U 24 H6 U 24 -10.945 -3.816 -1.670 258 1H5* U 25 1H5* U 25 -13.421 -5.136 -7.363 259 2H5* U 25 2H5* U 25 -13.593 -6.818 -7.892 260 H4* U 25 H4* U 25 -11.848 -5.612 -9.160 261 H3* U 25 H3* U 25 -10.790 -7.847 -7.377 262 H2* U 25 H2* U 25 -8.710 -7.504 -8.472 263 2HO* U 25 2HO* U 25 -9.885 -7.123 -10.537 264 H1* U 25 H1* U 25 -8.830 -4.760 -8.327 265 H3 U 25 H3 U 25 -5.569 -5.986 -5.370 266 H5 U 25 H5 U 25 -9.142 -6.688 -3.309 267 H6 U 25 H6 U 25 -10.366 -6.279 -5.356 268 1H5* G 26 1H5* G 26 -9.609 -9.015 -11.316 269 2H5* G 26 2H5* G 26 -9.570 -10.785 -11.438 270 H4* G 26 H4* G 26 -7.352 -9.645 -11.773 271 H3* G 26 H3* G 26 -7.589 -11.555 -9.427 272 H2* G 26 H2* G 26 -5.194 -11.244 -9.158 273 2HO* G 26 2HO* G 26 -4.974 -11.139 -11.559 274 H1* G 26 H1* G 26 -5.329 -8.519 -9.414 275 H8 G 26 H8 G 26 -8.413 -9.416 -7.428 276 H1 G 26 H1 G 26 -2.936 -9.825 -4.075 277 1H2 G 26 1H2 G 26 -1.165 -9.878 -5.535 278 2H2 G 26 2H2 G 26 -1.433 -9.666 -7.257 279 1H5* U 27 1H5* U 27 -4.124 -12.759 -11.917 280 2H5* U 27 2H5* U 27 -3.939 -14.518 -11.870 281 H4* U 27 H4* U 27 -1.915 -13.210 -11.154 282 H3* U 27 H3* U 27 -3.112 -15.080 -9.073 283 H2* U 27 H2* U 27 -1.146 -14.625 -7.826 284 2HO* U 27 2HO* U 27 0.238 -14.553 -9.737 285 H1* U 27 H1* U 27 -1.286 -11.934 -8.177 286 H3 U 27 H3 U 27 -2.471 -12.995 -3.847 287 H5 U 27 H5 U 27 -6.008 -13.319 -6.117 288 H6 U 27 H6 U 27 -4.693 -13.116 -8.110 289 1H5* G 28 1H5* G 28 1.049 -16.298 -9.839 290 2H5* G 28 2H5* G 28 1.331 -17.984 -9.376 291 H4* G 28 H4* G 28 2.632 -16.157 -8.135 292 H3* G 28 H3* G 28 1.117 -18.190 -6.520 293 H2* G 28 H2* G 28 2.105 -17.086 -4.580 294 2HO* G 28 2HO* G 28 4.083 -16.702 -5.998 295 H1* G 28 H1* G 28 1.444 -14.572 -5.395 296 H8 G 28 H8 G 28 -1.474 -16.429 -6.729 297 H1 G 28 H1 G 28 -1.725 -15.871 -0.343 298 1H2 G 28 1H2 G 28 0.309 -15.368 0.488 299 2H2 G 28 2H2 G 28 1.685 -15.134 -0.564 300 1H5* U 29 1H5* U 29 5.009 -18.228 -5.032 301 2H5* U 29 2H5* U 29 5.606 -19.860 -4.676 302 H4* U 29 H4* U 29 5.537 -18.435 -2.669 303 H3* U 29 H3* U 29 3.574 -20.761 -2.644 304 H2* U 29 H2* U 29 3.109 -20.185 -0.386 305 2HO* U 29 2HO* U 29 5.475 -19.543 -0.176 306 H1* U 29 H1* U 29 2.852 -17.512 -0.883 307 H3 U 29 H3 U 29 -1.468 -19.059 -0.339 308 H5 U 29 H5 U 29 -0.559 -19.421 -4.429 309 H6 U 29 H6 U 29 1.697 -18.992 -3.945 310 1H5* C 30 1H5* C 30 5.975 -21.167 0.736 311 2H5* C 30 2H5* C 30 6.369 -22.861 1.065 312 H4* C 30 H4* C 30 5.175 -21.728 2.930 313 H3* C 30 H3* C 30 3.713 -24.019 1.556 314 H2* C 30 H2* C 30 2.031 -23.833 3.221 315 2HO* C 30 2HO* C 30 2.381 -22.618 5.122 316 H1* C 30 H1* C 30 2.180 -21.022 3.399 317 1H4 C 30 1H4 C 30 -3.148 -21.901 0.205 318 2H4 C 30 2H4 C 30 -2.304 -21.979 -1.328 319 H5 C 30 H5 C 30 0.230 -22.240 -1.414 320 H6 C 30 H6 C 30 2.218 -22.188 -0.069 321 H3T C 30 HE C 30 4.769 -23.994 4.140 Start of MODEL 10 1 1H5* G 1 1H5* G 1 -10.848 -21.954 7.915 2 2H5* G 1 2H5* G 1 -10.436 -22.659 6.339 3 H4* G 1 H4* G 1 -8.678 -22.756 8.647 4 H3* G 1 H3* G 1 -8.595 -20.996 6.196 5 H2* G 1 H2* G 1 -6.198 -20.928 6.550 6 2HO* G 1 2HO* G 1 -6.556 -20.853 8.924 7 H1* G 1 H1* G 1 -6.020 -23.616 7.123 8 H8 G 1 H8 G 1 -8.409 -23.193 4.187 9 H1 G 1 H1 G 1 -2.213 -22.510 2.605 10 1H2 G 1 1H2 G 1 -0.968 -22.352 4.519 11 2H2 G 1 2H2 G 1 -1.725 -22.487 6.101 12 1H5* G 2 1H5* G 2 -6.091 -19.177 9.297 13 2H5* G 2 2H5* G 2 -6.092 -17.418 9.123 14 H4* G 2 H4* G 2 -3.791 -18.514 8.974 15 H3* G 2 H3* G 2 -4.730 -16.938 6.565 16 H2* G 2 H2* G 2 -2.456 -17.191 5.855 17 2HO* G 2 2HO* G 2 -1.631 -16.902 8.062 18 H1* G 2 H1* G 2 -2.300 -19.853 6.607 19 H8 G 2 H8 G 2 -5.633 -19.415 4.910 20 H1 G 2 H1 G 2 -0.641 -19.048 0.844 21 1H2 G 2 1H2 G 2 1.258 -18.956 1.998 22 2H2 G 2 2H2 G 2 1.280 -19.048 3.755 23 1H5* C 3 1H5* C 3 -1.144 -15.285 8.355 24 2H5* C 3 2H5* C 3 -0.877 -13.581 8.016 25 H4* C 3 H4* C 3 0.837 -15.353 7.181 26 H3* C 3 H3* C 3 -0.288 -13.270 5.253 27 H2* C 3 H2* C 3 1.144 -14.187 3.549 28 2HO* C 3 2HO* C 3 2.815 -14.516 5.278 29 H1* C 3 H1* C 3 0.615 -16.792 4.151 30 1H4 C 3 1H4 C 3 -3.502 -15.890 -0.511 31 2H4 C 3 2H4 C 3 -4.733 -15.412 0.637 32 H5 C 3 H5 C 3 -4.218 -14.965 3.045 33 H6 C 3 H6 C 3 -2.482 -15.032 4.691 34 1H5* A 4 1H5* A 4 1.501 -9.160 5.341 35 2H5* A 4 2H5* A 4 -0.004 -9.497 4.482 36 H4* A 4 H4* A 4 2.656 -10.960 4.164 37 H3* A 4 H3* A 4 0.937 -9.177 2.402 38 H2* A 4 H2* A 4 1.746 -10.364 0.494 39 2HO* A 4 2HO* A 4 3.916 -10.394 1.659 40 H1* A 4 H1* A 4 1.656 -12.865 1.682 41 H8 A 4 H8 A 4 -1.510 -11.497 2.945 42 1H6 A 4 1H6 A 4 -4.116 -13.047 -2.419 43 2H6 A 4 2H6 A 4 -4.341 -12.561 -0.747 44 H2 A 4 H2 A 4 0.355 -13.057 -3.015 45 1H5* C 5 1H5* C 5 4.694 -8.254 0.503 46 2H5* C 5 2H5* C 5 4.651 -6.550 0.007 47 H4* C 5 H4* C 5 4.691 -8.147 -1.917 48 H3* C 5 H3* C 5 2.156 -6.496 -1.636 49 H2* C 5 H2* C 5 1.487 -7.481 -3.732 50 2HO* C 5 2HO* C 5 3.855 -7.355 -4.389 51 H1* C 5 H1* C 5 2.303 -10.025 -3.078 52 1H4 C 5 1H4 C 5 -3.966 -9.624 -1.977 53 2H4 C 5 2H4 C 5 -3.706 -8.915 -0.398 54 H5 C 5 H5 C 5 -1.418 -8.310 0.428 55 H6 C 5 H6 C 5 0.910 -8.271 -0.160 56 1H5* U 6 1H5* U 6 3.004 -5.956 -5.689 57 2H5* U 6 2H5* U 6 2.667 -4.314 -6.244 58 H4* U 6 H4* U 6 1.333 -6.140 -7.368 59 H3* U 6 H3* U 6 -0.178 -3.953 -5.926 60 H2* U 6 H2* U 6 -2.222 -4.982 -6.595 61 2HO* U 6 2HO* U 6 -1.138 -5.503 -8.705 62 H1* U 6 H1* U 6 -1.457 -7.541 -6.083 63 H3 U 6 H3 U 6 -4.608 -6.408 -2.962 64 H5 U 6 H5 U 6 -0.873 -5.493 -1.256 65 H6 U 6 H6 U 6 0.129 -5.767 -3.399 66 1H5* C 7 1H5* C 7 -0.992 -3.012 -10.196 67 2H5* C 7 2H5* C 7 -1.120 -1.275 -10.538 68 H4* C 7 H4* C 7 -3.376 -2.475 -10.229 69 H3* C 7 H3* C 7 -2.629 -0.285 -8.263 70 H2* C 7 H2* C 7 -4.788 -0.556 -7.344 71 2HO* C 7 2HO* C 7 -5.960 -0.531 -9.282 72 H1* C 7 H1* C 7 -4.898 -3.343 -7.941 73 1H4 C 7 1H4 C 7 -4.633 -3.116 -1.665 74 2H4 C 7 2H4 C 7 -2.876 -3.040 -1.630 75 H5 C 7 H5 C 7 -1.562 -2.764 -3.831 76 H6 C 7 H6 C 7 -1.833 -2.500 -6.197 77 1H5* U 8 1H5* U 8 -6.489 0.346 -10.989 78 2H5* U 8 2H5* U 8 -6.649 2.101 -11.183 79 H4* U 8 H4* U 8 -8.806 0.972 -10.618 80 H3* U 8 H3* U 8 -7.705 2.964 -8.615 81 H2* U 8 H2* U 8 -9.807 2.718 -7.455 82 2HO* U 8 2HO* U 8 -10.909 2.603 -9.597 83 H1* U 8 H1* U 8 -9.908 -0.027 -7.737 84 H3 U 8 H3 U 8 -9.240 0.662 -3.265 85 H5 U 8 H5 U 8 -5.419 0.929 -5.015 86 H6 U 8 H6 U 8 -6.458 0.984 -7.184 87 1H5* G 9 1H5* G 9 -11.777 4.436 -9.570 88 2H5* G 9 2H5* G 9 -11.764 6.203 -9.411 89 H4* G 9 H4* G 9 -13.340 5.047 -7.836 90 H3* G 9 H3* G 9 -11.054 6.601 -6.591 91 H2* G 9 H2* G 9 -12.103 6.124 -4.455 92 2HO* G 9 2HO* G 9 -14.260 6.357 -5.519 93 H1* G 9 H1* G 9 -12.531 3.481 -5.009 94 H8 G 9 H8 G 9 -9.155 4.617 -6.484 95 H1 G 9 H1 G 9 -9.049 3.299 -0.195 96 1H2 G 9 1H2 G 9 -11.185 3.189 0.583 97 2H2 G 9 2H2 G 9 -12.536 3.198 -0.543 98 1H5* G 10 1H5* G 10 -14.828 7.962 -4.690 99 2H5* G 10 2H5* G 10 -14.665 9.662 -4.225 100 H4* G 10 H4* G 10 -15.192 8.051 -2.339 101 H3* G 10 H3* G 10 -12.673 9.723 -2.166 102 H2* G 10 H2* G 10 -12.425 8.831 0.073 103 2HO* G 10 2HO* G 10 -14.830 8.956 0.314 104 H1* G 10 H1* G 10 -13.034 6.251 -0.630 105 H8 G 10 H8 G 10 -10.887 7.636 -3.437 106 H1 G 10 H1 G 10 -7.578 6.162 1.876 107 1H2 G 10 1H2 G 10 -9.018 6.020 3.638 108 2H2 G 10 2H2 G 10 -10.759 6.074 3.382 109 1H5* U 11 1H5* U 11 -14.880 10.404 1.628 110 2H5* U 11 2H5* U 11 -14.603 12.078 2.142 111 H4* U 11 H4* U 11 -13.798 10.341 3.807 112 H3* U 11 H3* U 11 -11.687 12.185 2.677 113 H2* U 11 H2* U 11 -10.255 11.146 4.312 114 2HO* U 11 2HO* U 11 -11.965 11.065 5.911 115 H1* U 11 H1* U 11 -11.050 8.599 3.739 116 H3 U 11 H3 U 11 -6.779 9.356 2.298 117 H5 U 11 H5 U 11 -9.257 10.723 -0.835 118 H6 U 11 H6 U 11 -11.139 10.482 0.623 119 1H5* A 12 1H5* A 12 -13.178 13.848 6.773 120 2H5* A 12 2H5* A 12 -12.537 15.452 7.143 121 H4* A 12 H4* A 12 -11.269 13.485 8.130 122 H3* A 12 H3* A 12 -9.781 15.447 6.399 123 H2* A 12 H2* A 12 -7.801 14.284 7.070 124 2HO* A 12 2HO* A 12 -8.426 14.083 9.285 125 H1* A 12 H1* A 12 -8.920 11.748 6.778 126 H8 A 12 H8 A 12 -10.115 13.935 3.988 127 1H6 A 12 1H6 A 12 -4.861 12.574 1.027 128 2H6 A 12 2H6 A 12 -6.497 13.201 0.900 129 H2 A 12 H2 A 12 -4.301 11.561 5.368 130 1H5* U 13 1H5* U 13 -6.747 17.347 10.616 131 2H5* U 13 2H5* U 13 -6.684 17.661 8.884 132 H4* U 13 H4* U 13 -5.277 15.497 10.459 133 H3* U 13 H3* U 13 -4.664 17.602 8.367 134 H2* U 13 H2* U 13 -2.873 16.360 7.499 135 2HO* U 13 2HO* U 13 -2.457 15.644 9.858 136 H1* U 13 H1* U 13 -4.204 13.965 7.458 137 H3 U 13 H3 U 13 -4.236 15.238 3.069 138 H5 U 13 H5 U 13 -7.718 16.831 4.854 139 H6 U 13 H6 U 13 -6.695 16.478 6.995 140 1H5* C 14 1H5* C 14 -1.105 17.403 9.533 141 2H5* C 14 2H5* C 14 -0.414 18.989 9.933 142 H4* C 14 H4* C 14 0.864 18.085 8.149 143 H3* C 14 H3* C 14 -1.095 20.054 6.947 144 H2* C 14 H2* C 14 0.326 19.781 4.929 145 2HO* C 14 2HO* C 14 2.145 19.217 6.625 146 H1* C 14 H1* C 14 0.050 17.084 5.080 147 1H4 C 14 1H4 C 14 -5.176 19.000 1.941 148 2H4 C 14 2H4 C 14 -6.032 19.327 3.433 149 H5 C 14 H5 C 14 -4.917 19.075 5.665 150 H6 C 14 H6 C 14 -2.854 18.569 6.747 151 1H5* A 15 1H5* A 15 0.057 23.014 5.081 152 2H5* A 15 2H5* A 15 1.273 21.723 5.129 153 H4* A 15 H4* A 15 1.483 24.575 4.207 154 H3* A 15 H3* A 15 1.451 22.263 2.778 155 H2* A 15 H2* A 15 3.039 21.059 4.023 156 2HO* A 15 2HO* A 15 4.135 20.774 2.157 157 H1* A 15 H1* A 15 4.890 23.372 4.008 158 H8 A 15 H8 A 15 3.354 20.630 6.229 159 1H6 A 15 1H6 A 15 8.307 21.373 9.860 160 2H6 A 15 2H6 A 15 6.848 20.434 9.560 161 H2 A 15 H2 A 15 8.496 24.456 6.638 162 1H5* C 16 1H5* C 16 1.923 21.637 -0.050 163 2H5* C 16 2H5* C 16 2.052 22.953 -1.194 164 H4* C 16 H4* C 16 0.773 21.177 -2.122 165 H3* C 16 H3* C 16 -0.227 23.695 -2.366 166 H2* C 16 H2* C 16 -1.419 23.723 -0.317 167 2HO* C 16 2HO* C 16 -3.688 23.137 -0.868 168 H1* C 16 H1* C 16 -2.565 21.007 -0.848 169 1H4 C 16 1H4 C 16 -3.965 22.370 5.313 170 2H4 C 16 2H4 C 16 -2.309 22.056 5.788 171 H5 C 16 H5 C 16 -0.618 21.355 4.078 172 H6 C 16 H6 C 16 -0.106 21.214 1.782 173 1H5* G 17 1H5* G 17 0.448 19.583 -5.354 174 2H5* G 17 2H5* G 17 0.360 19.738 -3.601 175 H4* G 17 H4* G 17 2.900 19.926 -5.301 176 H3* G 17 H3* G 17 1.811 17.837 -3.380 177 H2* G 17 H2* G 17 3.989 17.387 -2.663 178 2HO* G 17 2HO* G 17 4.497 17.530 -5.153 179 H1* G 17 H1* G 17 4.993 20.016 -3.186 180 H8 G 17 H8 G 17 6.131 19.936 -0.835 181 H1 G 17 H1 G 17 0.682 18.279 2.103 182 1H2 G 17 1H2 G 17 -0.917 17.851 0.623 183 2H2 G 17 2H2 G 17 -0.637 18.040 -1.097 184 1H5* G 18 1H5* G 18 4.176 15.440 -4.071 185 2H5* G 18 2H5* G 18 3.619 13.769 -4.231 186 H4* G 18 H4* G 18 4.740 14.599 -1.993 187 H3* G 18 H3* G 18 2.199 12.960 -2.060 188 H2* G 18 H2* G 18 2.319 12.929 0.348 189 2HO* G 18 2HO* G 18 4.767 12.821 0.114 190 H1* G 18 H1* G 18 2.919 15.605 0.599 191 H8 G 18 H8 G 18 0.403 15.083 -2.217 192 H1 G 18 H1 G 18 -2.216 14.672 3.651 193 1H2 G 18 1H2 G 18 -0.585 14.432 5.181 194 2H2 G 18 2H2 G 18 1.111 14.531 4.736 195 1H5* U 19 1H5* U 19 4.801 11.091 0.868 196 2H5* U 19 2H5* U 19 4.594 9.338 0.849 197 H4* U 19 H4* U 19 4.112 10.484 3.042 198 H3* U 19 H3* U 19 1.872 8.834 1.813 199 H2* U 19 H2* U 19 0.724 9.217 3.902 200 2HO* U 19 2HO* U 19 2.731 9.028 5.129 201 H1* U 19 H1* U 19 1.254 11.881 3.983 202 H3 U 19 H3 U 19 -3.174 11.607 2.745 203 H5 U 19 H5 U 19 -0.966 11.276 -0.825 204 H6 U 19 H6 U 19 1.013 11.031 0.464 205 1H5* A 20 1H5* A 20 2.965 7.020 5.628 206 2H5* A 20 2H5* A 20 2.640 5.276 5.648 207 H4* A 20 H4* A 20 1.344 6.568 7.320 208 H3* A 20 H3* A 20 -0.374 5.159 5.211 209 H2* A 20 H2* A 20 -2.212 5.882 6.492 210 2HO* A 20 2HO* A 20 -0.754 5.734 8.521 211 H1* A 20 H1* A 20 -1.503 8.325 6.724 212 H8 A 20 H8 A 20 -0.051 7.295 3.297 213 1H6 A 20 1H6 A 20 -5.375 9.121 0.859 214 2H6 A 20 2H6 A 20 -3.743 8.556 0.609 215 H2 A 20 H2 A 20 -5.900 9.005 5.364 216 1H5* C 21 1H5* C 21 -2.232 4.592 8.656 217 2H5* C 21 2H5* C 21 -2.735 2.998 8.943 218 H4* C 21 H4* C 21 -4.621 4.534 9.029 219 H3* C 21 H3* C 21 -4.783 2.685 6.607 220 H2* C 21 H2* C 21 -6.922 3.695 6.210 221 2HO* C 21 2HO* C 21 -7.249 3.820 8.614 222 H1* C 21 H1* C 21 -5.996 6.256 6.552 223 1H4 C 21 1H4 C 21 -5.380 5.706 0.360 224 2H4 C 21 2H4 C 21 -3.717 5.168 0.513 225 H5 C 21 H5 C 21 -2.737 4.560 2.761 226 H6 C 21 H6 C 21 -3.172 4.510 5.110 227 1H5* C 22 1H5* C 22 -8.508 2.196 8.655 228 2H5* C 22 2H5* C 22 -9.075 0.516 8.535 229 H4* C 22 H4* C 22 -10.609 2.200 7.457 230 H3* C 22 H3* C 22 -9.331 0.115 5.648 231 H2* C 22 H2* C 22 -10.670 1.000 3.894 232 2HO* C 22 2HO* C 22 -12.438 1.294 5.579 233 H1* C 22 H1* C 22 -10.302 3.651 4.603 234 1H4 C 22 1H4 C 22 -6.475 2.753 -0.313 235 2H4 C 22 2H4 C 22 -5.174 2.141 0.683 236 H5 C 22 H5 C 22 -5.469 1.852 3.197 237 H6 C 22 H6 C 22 -7.055 1.977 4.989 238 1H5* U 23 1H5* U 23 -13.410 -0.146 4.540 239 2H5* U 23 2H5* U 23 -13.819 -1.836 4.210 240 H4* U 23 H4* U 23 -14.089 -0.333 2.243 241 H3* U 23 H3* U 23 -11.991 -2.508 1.988 242 H2* U 23 H2* U 23 -11.837 -1.845 -0.345 243 2HO* U 23 2HO* U 23 -14.198 -1.475 -0.410 244 H1* U 23 H1* U 23 -11.857 0.839 0.200 245 H3 U 23 H3 U 23 -7.624 0.051 -1.204 246 H5 U 23 H5 U 23 -7.679 -1.393 2.754 247 H6 U 23 H6 U 23 -10.053 -1.020 2.805 248 1H5* U 24 1H5* U 24 -14.952 -2.771 -1.360 249 2H5* U 24 2H5* U 24 -15.073 -4.443 -1.923 250 H4* U 24 H4* U 24 -14.400 -2.721 -3.674 251 H3* U 24 H3* U 24 -12.534 -5.048 -3.125 252 H2* U 24 H2* U 24 -11.302 -4.264 -5.067 253 2HO* U 24 2HO* U 24 -13.445 -3.688 -6.072 254 H1* U 24 H1* U 24 -11.451 -1.604 -4.339 255 H3 U 24 H3 U 24 -7.060 -2.701 -3.861 256 H5 U 24 H5 U 24 -8.892 -4.364 -0.478 257 H6 U 24 H6 U 24 -11.062 -3.850 -1.436 258 1H5* U 25 1H5* U 25 -13.279 -5.024 -7.408 259 2H5* U 25 2H5* U 25 -13.340 -6.687 -8.007 260 H4* U 25 H4* U 25 -11.597 -5.284 -9.112 261 H3* U 25 H3* U 25 -10.572 -7.668 -7.517 262 H2* U 25 H2* U 25 -8.443 -7.184 -8.457 263 2HO* U 25 2HO* U 25 -9.557 -6.609 -10.532 264 H1* U 25 H1* U 25 -8.632 -4.463 -8.065 265 H3 U 25 H3 U 25 -5.510 -5.866 -5.042 266 H5 U 25 H5 U 25 -9.185 -6.730 -3.228 267 H6 U 25 H6 U 25 -10.291 -6.211 -5.305 268 1H5* G 26 1H5* G 26 -9.239 -8.491 -11.480 269 2H5* G 26 2H5* G 26 -9.261 -10.240 -11.783 270 H4* G 26 H4* G 26 -6.968 -9.205 -11.876 271 H3* G 26 H3* G 26 -7.463 -11.240 -9.684 272 H2* G 26 H2* G 26 -5.105 -11.115 -9.247 273 2HO* G 26 2HO* G 26 -3.701 -10.481 -10.673 274 H1* G 26 H1* G 26 -5.057 -8.344 -9.416 275 H8 G 26 H8 G 26 -8.185 -9.160 -7.497 276 H1 G 26 H1 G 26 -2.759 -10.082 -4.158 277 1H2 G 26 1H2 G 26 -0.978 -10.114 -5.615 278 2H2 G 26 2H2 G 26 -1.231 -9.799 -7.322 279 1H5* U 27 1H5* U 27 -4.026 -12.459 -12.162 280 2H5* U 27 2H5* U 27 -3.925 -14.224 -12.276 281 H4* U 27 H4* U 27 -1.827 -13.138 -11.473 282 H3* U 27 H3* U 27 -3.153 -14.992 -9.459 283 H2* U 27 H2* U 27 -1.130 -14.754 -8.221 284 2HO* U 27 2HO* U 27 0.273 -14.686 -10.074 285 H1* U 27 H1* U 27 -1.119 -12.045 -8.422 286 H3 U 27 H3 U 27 -2.425 -13.222 -4.158 287 H5 U 27 H5 U 27 -5.936 -13.341 -6.491 288 H6 U 27 H6 U 27 -4.592 -13.072 -8.450 289 1H5* G 28 1H5* G 28 0.903 -16.603 -10.430 290 2H5* G 28 2H5* G 28 1.053 -18.299 -9.940 291 H4* G 28 H4* G 28 2.553 -16.514 -8.820 292 H3* G 28 H3* G 28 1.077 -18.479 -7.092 293 H2* G 28 H2* G 28 2.238 -17.405 -5.233 294 2HO* G 28 2HO* G 28 4.126 -17.080 -6.789 295 H1* G 28 H1* G 28 1.616 -14.865 -6.027 296 H8 G 28 H8 G 28 -1.491 -16.565 -7.096 297 H1 G 28 H1 G 28 -1.043 -16.180 -0.702 298 1H2 G 28 1H2 G 28 1.113 -15.830 -0.096 299 2H2 G 28 2H2 G 28 2.352 -15.541 -1.302 300 1H5* U 29 1H5* U 29 4.946 -18.521 -5.649 301 2H5* U 29 2H5* U 29 5.561 -20.155 -5.349 302 H4* U 29 H4* U 29 5.548 -18.776 -3.309 303 H3* U 29 H3* U 29 3.619 -21.128 -3.282 304 H2* U 29 H2* U 29 3.203 -20.619 -1.004 305 2HO* U 29 2HO* U 29 5.545 -19.969 -0.789 306 H1* U 29 H1* U 29 2.888 -17.943 -1.411 307 H3 U 29 H3 U 29 -1.406 -19.605 -0.869 308 H5 U 29 H5 U 29 -0.557 -19.711 -4.987 309 H6 U 29 H6 U 29 1.696 -19.272 -4.513 310 1H5* C 30 1H5* C 30 6.250 -21.569 -0.046 311 2H5* C 30 2H5* C 30 6.662 -23.264 0.273 312 H4* C 30 H4* C 30 5.564 -22.084 2.187 313 H3* C 30 H3* C 30 4.086 -24.438 0.942 314 H2* C 30 H2* C 30 2.470 -24.239 2.670 315 2HO* C 30 2HO* C 30 2.872 -22.974 4.528 316 H1* C 30 H1* C 30 2.585 -21.422 2.784 317 1H4 C 30 1H4 C 30 -2.891 -22.450 -0.107 318 2H4 C 30 2H4 C 30 -2.130 -22.547 -1.683 319 H5 C 30 H5 C 30 0.403 -22.752 -1.900 320 H6 C 30 H6 C 30 2.460 -22.652 -0.661 321 H3T C 30 HE C 30 5.250 -24.323 3.478 Start of MODEL 11 1 1H5* G 1 1H5* G 1 -11.021 -22.849 6.576 2 2H5* G 1 2H5* G 1 -10.161 -23.690 5.276 3 H4* G 1 H4* G 1 -9.081 -23.463 7.961 4 H3* G 1 H3* G 1 -8.611 -21.739 5.544 5 H2* G 1 H2* G 1 -6.355 -21.420 6.371 6 2HO* G 1 2HO* G 1 -7.239 -21.465 8.640 7 H1* G 1 H1* G 1 -5.940 -24.051 6.886 8 H8 G 1 H8 G 1 -8.128 -24.025 3.796 9 H1 G 1 H1 G 1 -2.084 -22.190 2.604 10 1H2 G 1 1H2 G 1 -0.999 -21.847 4.584 11 2H2 G 1 2H2 G 1 -1.803 -22.143 6.121 12 1H5* G 2 1H5* G 2 -6.833 -19.678 8.826 13 2H5* G 2 2H5* G 2 -7.080 -17.935 8.672 14 H4* G 2 H4* G 2 -4.647 -18.645 8.769 15 H3* G 2 H3* G 2 -5.569 -17.214 6.261 16 H2* G 2 H2* G 2 -3.244 -17.080 5.782 17 2HO* G 2 2HO* G 2 -2.751 -16.709 8.106 18 H1* G 2 H1* G 2 -2.711 -19.687 6.524 19 H8 G 2 H8 G 2 -5.933 -19.826 4.597 20 H1 G 2 H1 G 2 -0.831 -18.421 0.888 21 1H2 G 2 1H2 G 2 0.961 -18.113 2.175 22 2H2 G 2 2H2 G 2 0.873 -18.231 3.928 23 1H5* C 3 1H5* C 3 -2.558 -14.981 8.325 24 2H5* C 3 2H5* C 3 -2.547 -13.250 7.976 25 H4* C 3 H4* C 3 -0.530 -14.714 7.289 26 H3* C 3 H3* C 3 -1.868 -12.838 5.284 27 H2* C 3 H2* C 3 -0.092 -13.366 3.773 28 2HO* C 3 2HO* C 3 1.462 -13.364 5.605 29 H1* C 3 H1* C 3 -0.164 -16.049 4.288 30 1H4 C 3 1H4 C 3 -3.948 -15.684 -0.763 31 2H4 C 3 2H4 C 3 -5.342 -15.463 0.269 32 H5 C 3 H5 C 3 -5.137 -15.122 2.728 33 H6 C 3 H6 C 3 -3.596 -14.980 4.540 34 1H5* A 4 1H5* A 4 2.165 -11.414 5.595 35 2H5* A 4 2H5* A 4 2.249 -9.661 5.337 36 H4* A 4 H4* A 4 3.478 -11.068 3.639 37 H3* A 4 H3* A 4 1.234 -9.280 2.645 38 H2* A 4 H2* A 4 1.882 -9.922 0.431 39 2HO* A 4 2HO* A 4 4.185 -9.847 1.083 40 H1* A 4 H1* A 4 2.165 -12.588 1.028 41 H8 A 4 H8 A 4 -0.877 -11.387 2.942 42 1H6 A 4 1H6 A 4 -4.016 -12.760 -2.231 43 2H6 A 4 2H6 A 4 -4.118 -12.402 -0.514 44 H2 A 4 H2 A 4 0.339 -12.575 -3.262 45 1H5* C 5 1H5* C 5 4.810 -7.921 0.422 46 2H5* C 5 2H5* C 5 4.629 -6.203 0.009 47 H4* C 5 H4* C 5 4.711 -7.783 -1.972 48 H3* C 5 H3* C 5 2.183 -6.141 -1.608 49 H2* C 5 H2* C 5 1.485 -7.075 -3.716 50 2HO* C 5 2HO* C 5 3.824 -6.953 -4.429 51 H1* C 5 H1* C 5 2.273 -9.638 -3.116 52 1H4 C 5 1H4 C 5 -3.953 -9.367 -1.901 53 2H4 C 5 2H4 C 5 -3.677 -8.708 -0.301 54 H5 C 5 H5 C 5 -1.383 -8.070 0.493 55 H6 C 5 H6 C 5 0.927 -7.957 -0.143 56 1H5* U 6 1H5* U 6 3.016 -5.569 -5.678 57 2H5* U 6 2H5* U 6 2.639 -3.941 -6.240 58 H4* U 6 H4* U 6 1.348 -5.800 -7.358 59 H3* U 6 H3* U 6 -0.211 -3.657 -5.907 60 H2* U 6 H2* U 6 -2.236 -4.751 -6.577 61 2HO* U 6 2HO* U 6 -1.171 -5.234 -8.690 62 H1* U 6 H1* U 6 -1.401 -7.280 -6.051 63 H3 U 6 H3 U 6 -4.578 -6.199 -2.935 64 H5 U 6 H5 U 6 -0.872 -5.150 -1.247 65 H6 U 6 H6 U 6 0.132 -5.410 -3.393 66 1H5* C 7 1H5* C 7 -0.864 -2.738 -10.275 67 2H5* C 7 2H5* C 7 -1.125 -1.017 -10.614 68 H4* C 7 H4* C 7 -3.278 -2.350 -10.284 69 H3* C 7 H3* C 7 -2.656 -0.135 -8.302 70 H2* C 7 H2* C 7 -4.821 -0.514 -7.425 71 2HO* C 7 2HO* C 7 -5.980 -0.556 -9.355 72 H1* C 7 H1* C 7 -4.774 -3.302 -8.018 73 1H4 C 7 1H4 C 7 -4.663 -2.957 -1.728 74 2H4 C 7 2H4 C 7 -2.925 -2.711 -1.655 75 H5 C 7 H5 C 7 -1.578 -2.401 -3.838 76 H6 C 7 H6 C 7 -1.818 -2.203 -6.212 77 1H5* U 8 1H5* U 8 -6.479 0.318 -11.015 78 2H5* U 8 2H5* U 8 -6.742 2.060 -11.220 79 H4* U 8 H4* U 8 -8.827 0.824 -10.612 80 H3* U 8 H3* U 8 -7.781 2.880 -8.640 81 H2* U 8 H2* U 8 -9.840 2.548 -7.439 82 2HO* U 8 2HO* U 8 -10.959 2.369 -9.584 83 H1* U 8 H1* U 8 -9.842 -0.201 -7.724 84 H3 U 8 H3 U 8 -9.146 0.416 -3.255 85 H5 U 8 H5 U 8 -5.370 0.939 -5.045 86 H6 U 8 H6 U 8 -6.440 1.008 -7.197 87 1H5* G 9 1H5* G 9 -11.866 4.189 -9.483 88 2H5* G 9 2H5* G 9 -11.913 5.958 -9.367 89 H4* G 9 H4* G 9 -13.378 4.817 -7.697 90 H3* G 9 H3* G 9 -11.046 6.397 -6.571 91 H2* G 9 H2* G 9 -12.015 5.952 -4.393 92 2HO* G 9 2HO* G 9 -14.213 6.162 -5.354 93 H1* G 9 H1* G 9 -12.450 3.298 -4.897 94 H8 G 9 H8 G 9 -9.134 4.435 -6.498 95 H1 G 9 H1 G 9 -8.807 3.188 -0.199 96 1H2 G 9 1H2 G 9 -10.914 3.100 0.657 97 2H2 G 9 2H2 G 9 -12.304 3.104 -0.422 98 1H5* G 10 1H5* G 10 -14.770 7.763 -4.627 99 2H5* G 10 2H5* G 10 -14.624 9.464 -4.165 100 H4* G 10 H4* G 10 -15.099 7.840 -2.270 101 H3* G 10 H3* G 10 -12.614 9.567 -2.145 102 H2* G 10 H2* G 10 -12.314 8.695 0.095 103 2HO* G 10 2HO* G 10 -14.726 8.756 0.355 104 H1* G 10 H1* G 10 -12.872 6.100 -0.584 105 H8 G 10 H8 G 10 -10.794 7.515 -3.428 106 H1 G 10 H1 G 10 -7.381 6.062 1.827 107 1H2 G 10 1H2 G 10 -8.784 5.912 3.613 108 2H2 G 10 2H2 G 10 -10.530 5.959 3.393 109 1H5* U 11 1H5* U 11 -14.785 10.191 1.644 110 2H5* U 11 2H5* U 11 -14.549 11.865 2.178 111 H4* U 11 H4* U 11 -13.691 10.135 3.816 112 H3* U 11 H3* U 11 -11.630 12.036 2.688 113 H2* U 11 H2* U 11 -10.165 11.019 4.308 114 2HO* U 11 2HO* U 11 -11.841 10.889 5.927 115 H1* U 11 H1* U 11 -10.910 8.459 3.729 116 H3 U 11 H3 U 11 -6.662 9.279 2.251 117 H5 U 11 H5 U 11 -9.185 10.644 -0.841 118 H6 U 11 H6 U 11 -11.049 10.374 0.631 119 1H5* A 12 1H5* A 12 -13.078 13.646 6.802 120 2H5* A 12 2H5* A 12 -12.443 15.252 7.174 121 H4* A 12 H4* A 12 -11.167 13.275 8.142 122 H3* A 12 H3* A 12 -9.700 15.282 6.444 123 H2* A 12 H2* A 12 -7.705 14.121 7.068 124 2HO* A 12 2HO* A 12 -8.296 13.857 9.281 125 H1* A 12 H1* A 12 -8.793 11.583 6.732 126 H8 A 12 H8 A 12 -10.053 13.817 4.006 127 1H6 A 12 1H6 A 12 -4.822 12.565 0.955 128 2H6 A 12 2H6 A 12 -6.463 13.186 0.858 129 H2 A 12 H2 A 12 -4.205 11.466 5.264 130 1H5* U 13 1H5* U 13 -6.611 17.015 10.715 131 2H5* U 13 2H5* U 13 -6.563 17.401 8.997 132 H4* U 13 H4* U 13 -5.150 15.170 10.469 133 H3* U 13 H3* U 13 -4.549 17.365 8.468 134 H2* U 13 H2* U 13 -2.783 16.161 7.497 135 2HO* U 13 2HO* U 13 -2.336 15.337 9.825 136 H1* U 13 H1* U 13 -4.112 13.765 7.392 137 H3 U 13 H3 U 13 -4.195 15.212 3.061 138 H5 U 13 H5 U 13 -7.656 16.737 4.946 139 H6 U 13 H6 U 13 -6.608 16.303 7.062 140 1H5* C 14 1H5* C 14 -0.969 17.108 9.544 141 2H5* C 14 2H5* C 14 -0.285 18.676 10.018 142 H4* C 14 H4* C 14 0.964 17.921 8.142 143 H3* C 14 H3* C 14 -1.129 19.871 7.128 144 H2* C 14 H2* C 14 0.154 19.753 5.030 145 2HO* C 14 2HO* C 14 2.150 19.440 6.457 146 H1* C 14 H1* C 14 0.129 17.025 5.095 147 1H4 C 14 1H4 C 14 -5.134 19.016 2.023 148 2H4 C 14 2H4 C 14 -5.987 19.278 3.528 149 H5 C 14 H5 C 14 -4.881 18.901 5.753 150 H6 C 14 H6 C 14 -2.814 18.336 6.808 151 1H5* A 15 1H5* A 15 0.144 22.801 5.061 152 2H5* A 15 2H5* A 15 1.340 21.483 5.147 153 H4* A 15 H4* A 15 1.670 24.371 4.350 154 H3* A 15 H3* A 15 1.192 22.251 2.757 155 H2* A 15 H2* A 15 2.785 20.756 3.620 156 2HO* A 15 2HO* A 15 3.732 22.253 1.474 157 H1* A 15 H1* A 15 4.915 22.866 3.627 158 H8 A 15 H8 A 15 4.004 19.490 4.812 159 1H6 A 15 1H6 A 15 8.352 20.046 9.170 160 2H6 A 15 2H6 A 15 7.237 18.960 8.347 161 H2 A 15 H2 A 15 7.731 24.078 7.355 162 1H5* C 16 1H5* C 16 1.602 21.518 0.105 163 2H5* C 16 2H5* C 16 1.948 22.793 -1.023 164 H4* C 16 H4* C 16 0.685 21.184 -2.112 165 H3* C 16 H3* C 16 -0.340 23.695 -2.325 166 H2* C 16 H2* C 16 -1.608 23.678 -0.333 167 2HO* C 16 2HO* C 16 -3.846 23.161 -0.950 168 H1* C 16 H1* C 16 -2.778 21.010 -0.944 169 1H4 C 16 1H4 C 16 -3.975 22.459 5.276 170 2H4 C 16 2H4 C 16 -2.323 22.066 5.710 171 H5 C 16 H5 C 16 -0.691 21.322 3.959 172 H6 C 16 H6 C 16 -0.301 21.047 1.641 173 1H5* G 17 1H5* G 17 0.433 19.666 -5.351 174 2H5* G 17 2H5* G 17 0.276 19.797 -3.602 175 H4* G 17 H4* G 17 2.880 20.042 -5.191 176 H3* G 17 H3* G 17 1.759 17.880 -3.360 177 H2* G 17 H2* G 17 3.960 17.411 -2.707 178 2HO* G 17 2HO* G 17 4.448 17.629 -5.172 179 H1* G 17 H1* G 17 4.906 20.085 -3.136 180 H8 G 17 H8 G 17 6.215 19.577 -0.972 181 H1 G 17 H1 G 17 0.891 18.029 2.263 182 1H2 G 17 1H2 G 17 -0.831 17.921 0.911 183 2H2 G 17 2H2 G 17 -0.688 18.355 -0.787 184 1H5* G 18 1H5* G 18 4.134 15.542 -4.143 185 2H5* G 18 2H5* G 18 3.604 13.865 -4.324 186 H4* G 18 H4* G 18 4.721 14.663 -2.081 187 H3* G 18 H3* G 18 2.188 13.014 -2.174 188 H2* G 18 H2* G 18 2.295 12.952 0.227 189 2HO* G 18 2HO* G 18 4.749 12.851 -0.006 190 H1* G 18 H1* G 18 2.911 15.609 0.541 191 H8 G 18 H8 G 18 0.380 15.197 -2.270 192 H1 G 18 H1 G 18 -2.189 14.589 3.599 193 1H2 G 18 1H2 G 18 -0.544 14.335 5.113 194 2H2 G 18 2H2 G 18 1.147 14.452 4.652 195 1H5* U 19 1H5* U 19 4.871 11.143 0.697 196 2H5* U 19 2H5* U 19 4.673 9.390 0.691 197 H4* U 19 H4* U 19 4.204 10.570 2.886 198 H3* U 19 H3* U 19 2.022 8.833 1.679 199 H2* U 19 H2* U 19 0.853 9.199 3.762 200 2HO* U 19 2HO* U 19 2.859 9.077 4.995 201 H1* U 19 H1* U 19 1.318 11.879 3.837 202 H3 U 19 H3 U 19 -3.108 11.573 2.663 203 H5 U 19 H5 U 19 -0.955 11.240 -0.938 204 H6 U 19 H6 U 19 1.047 10.991 0.324 205 1H5* A 20 1H5* A 20 3.162 7.098 5.526 206 2H5* A 20 2H5* A 20 2.885 5.345 5.555 207 H4* A 20 H4* A 20 1.511 6.612 7.207 208 H3* A 20 H3* A 20 -0.123 5.176 5.050 209 H2* A 20 H2* A 20 -1.993 5.836 6.278 210 2HO* A 20 2HO* A 20 -1.906 6.817 8.248 211 H1* A 20 H1* A 20 -1.335 8.301 6.539 212 H8 A 20 H8 A 20 0.121 7.237 3.126 213 1H6 A 20 1H6 A 20 -5.256 9.024 0.732 214 2H6 A 20 2H6 A 20 -3.624 8.469 0.453 215 H2 A 20 H2 A 20 -5.717 8.920 5.238 216 1H5* C 21 1H5* C 21 -1.861 4.534 8.507 217 2H5* C 21 2H5* C 21 -2.374 2.956 8.812 218 H4* C 21 H4* C 21 -4.257 4.491 8.958 219 H3* C 21 H3* C 21 -4.450 2.615 6.564 220 H2* C 21 H2* C 21 -6.591 3.585 6.159 221 2HO* C 21 2HO* C 21 -6.924 3.730 8.558 222 H1* C 21 H1* C 21 -5.738 6.168 6.484 223 1H4 C 21 1H4 C 21 -5.220 5.606 0.281 224 2H4 C 21 2H4 C 21 -3.554 5.069 0.402 225 H5 C 21 H5 C 21 -2.524 4.477 2.630 226 H6 C 21 H6 C 21 -2.904 4.437 4.987 227 1H5* C 22 1H5* C 22 -8.123 2.081 8.723 228 2H5* C 22 2H5* C 22 -8.670 0.394 8.620 229 H4* C 22 H4* C 22 -10.235 2.065 7.529 230 H3* C 22 H3* C 22 -8.932 -0.030 5.760 231 H2* C 22 H2* C 22 -10.244 0.785 3.991 232 2HO* C 22 2HO* C 22 -11.985 2.081 4.230 233 H1* C 22 H1* C 22 -9.970 3.475 4.705 234 1H4 C 22 1H4 C 22 -6.328 2.627 -0.372 235 2H4 C 22 2H4 C 22 -4.999 2.000 0.573 236 H5 C 22 H5 C 22 -5.186 1.726 3.098 237 H6 C 22 H6 C 22 -6.702 1.834 4.952 238 1H5* U 23 1H5* U 23 -13.016 -0.284 4.776 239 2H5* U 23 2H5* U 23 -13.472 -1.956 4.418 240 H4* U 23 H4* U 23 -13.793 -0.400 2.498 241 H3* U 23 H3* U 23 -11.755 -2.614 2.128 242 H2* U 23 H2* U 23 -11.668 -1.921 -0.199 243 2HO* U 23 2HO* U 23 -14.023 -1.490 -0.165 244 H1* U 23 H1* U 23 -11.600 0.754 0.381 245 H3 U 23 H3 U 23 -7.433 -0.084 -1.173 246 H5 U 23 H5 U 23 -7.381 -1.572 2.770 247 H6 U 23 H6 U 23 -9.750 -1.190 2.894 248 1H5* U 24 1H5* U 24 -14.809 -2.756 -1.101 249 2H5* U 24 2H5* U 24 -15.035 -4.430 -1.625 250 H4* U 24 H4* U 24 -14.362 -2.835 -3.460 251 H3* U 24 H3* U 24 -12.498 -5.146 -2.826 252 H2* U 24 H2* U 24 -11.337 -4.507 -4.854 253 2HO* U 24 2HO* U 24 -13.492 -3.995 -5.840 254 H1* U 24 H1* U 24 -11.444 -1.798 -4.290 255 H3 U 24 H3 U 24 -7.036 -2.824 -3.882 256 H5 U 24 H5 U 24 -8.752 -4.325 -0.366 257 H6 U 24 H6 U 24 -10.955 -3.891 -1.289 258 1H5* U 25 1H5* U 25 -13.503 -5.516 -7.018 259 2H5* U 25 2H5* U 25 -13.564 -7.229 -7.463 260 H4* U 25 H4* U 25 -11.896 -5.921 -8.770 261 H3* U 25 H3* U 25 -10.729 -8.096 -6.986 262 H2* U 25 H2* U 25 -8.674 -7.653 -8.101 263 2HO* U 25 2HO* U 25 -9.676 -7.379 -10.188 264 H1* U 25 H1* U 25 -8.931 -4.921 -7.962 265 H3 U 25 H3 U 25 -5.580 -5.950 -5.037 266 H5 U 25 H5 U 25 -9.094 -6.802 -2.925 267 H6 U 25 H6 U 25 -10.357 -6.476 -4.961 268 1H5* G 26 1H5* G 26 -9.773 -9.130 -11.028 269 2H5* G 26 2H5* G 26 -9.607 -10.884 -11.239 270 H4* G 26 H4* G 26 -7.515 -9.540 -11.681 271 H3* G 26 H3* G 26 -7.455 -11.610 -9.465 272 H2* G 26 H2* G 26 -5.081 -11.150 -9.298 273 2HO* G 26 2HO* G 26 -5.055 -10.865 -11.719 274 H1* G 26 H1* G 26 -5.391 -8.424 -9.381 275 H8 G 26 H8 G 26 -8.314 -9.598 -7.288 276 H1 G 26 H1 G 26 -2.677 -9.799 -4.198 277 1H2 G 26 1H2 G 26 -0.975 -9.737 -5.731 278 2H2 G 26 2H2 G 26 -1.321 -9.499 -7.437 279 1H5* U 27 1H5* U 27 -4.095 -12.493 -12.114 280 2H5* U 27 2H5* U 27 -3.854 -14.244 -12.217 281 H4* U 27 H4* U 27 -1.856 -12.972 -11.406 282 H3* U 27 H3* U 27 -3.046 -14.948 -9.423 283 H2* U 27 H2* U 27 -1.070 -14.528 -8.145 284 2HO* U 27 2HO* U 27 0.319 -14.369 -10.028 285 H1* U 27 H1* U 27 -1.243 -11.820 -8.403 286 H3 U 27 H3 U 27 -2.358 -12.966 -4.097 287 H5 U 27 H5 U 27 -5.914 -13.371 -6.313 288 H6 U 27 H6 U 27 -4.639 -13.092 -8.331 289 1H5* G 28 1H5* G 28 1.170 -16.188 -10.257 290 2H5* G 28 2H5* G 28 1.430 -17.872 -9.772 291 H4* G 28 H4* G 28 2.742 -16.008 -8.572 292 H3* G 28 H3* G 28 1.311 -18.075 -6.925 293 H2* G 28 H2* G 28 2.293 -16.934 -5.001 294 2HO* G 28 2HO* G 28 4.229 -16.470 -6.477 295 H1* G 28 H1* G 28 1.549 -14.446 -5.801 296 H8 G 28 H8 G 28 -1.352 -16.371 -7.100 297 H1 G 28 H1 G 28 -1.454 -15.846 -0.704 298 1H2 G 28 1H2 G 28 0.629 -15.338 0.065 299 2H2 G 28 2H2 G 28 1.940 -15.022 -1.058 300 1H5* U 29 1H5* U 29 5.109 -17.811 -5.310 301 2H5* U 29 2H5* U 29 5.830 -19.387 -4.945 302 H4* U 29 H4* U 29 5.615 -17.972 -2.941 303 H3* U 29 H3* U 29 3.886 -20.470 -2.956 304 H2* U 29 H2* U 29 3.315 -19.962 -0.708 305 2HO* U 29 2HO* U 29 5.592 -19.115 -0.411 306 H1* U 29 H1* U 29 2.813 -17.325 -1.176 307 H3 U 29 H3 U 29 -1.364 -19.314 -0.806 308 H5 U 29 H5 U 29 -0.310 -19.412 -4.874 309 H6 U 29 H6 U 29 1.884 -18.818 -4.292 310 1H5* C 30 1H5* C 30 6.354 -20.652 0.410 311 2H5* C 30 2H5* C 30 6.875 -22.305 0.777 312 H4* C 30 H4* C 30 5.604 -21.242 2.617 313 H3* C 30 H3* C 30 4.246 -23.608 1.263 314 H2* C 30 H2* C 30 2.603 -23.507 3.002 315 2HO* C 30 2HO* C 30 4.569 -22.884 4.472 316 H1* C 30 H1* C 30 2.549 -20.711 3.069 317 1H4 C 30 1H4 C 30 -2.630 -22.225 -0.201 318 2H4 C 30 2H4 C 30 -1.748 -22.359 -1.711 319 H5 C 30 H5 C 30 0.790 -22.374 -1.729 320 H6 C 30 H6 C 30 2.743 -22.058 -0.356 321 H3T C 30 HE C 30 5.217 -24.756 2.881 Start of MODEL 12 1 1H5* G 1 1H5* G 1 -10.134 -22.066 9.052 2 2H5* G 1 2H5* G 1 -10.241 -20.320 9.333 3 H4* G 1 H4* G 1 -8.096 -21.120 10.133 4 H3* G 1 H3* G 1 -7.835 -19.552 7.555 5 H2* G 1 H2* G 1 -5.468 -19.669 7.912 6 2HO* G 1 2HO* G 1 -5.869 -19.454 10.306 7 H1* G 1 H1* G 1 -5.469 -22.309 8.573 8 H8 G 1 H8 G 1 -8.062 -21.921 5.829 9 H1 G 1 H1 G 1 -2.005 -21.692 3.682 10 1H2 G 1 1H2 G 1 -0.592 -21.482 5.460 11 2H2 G 1 2H2 G 1 -1.202 -21.458 7.109 12 1H5* G 2 1H5* G 2 -5.146 -17.741 10.301 13 2H5* G 2 2H5* G 2 -5.078 -15.995 10.033 14 H4* G 2 H4* G 2 -2.853 -17.184 9.742 15 H3* G 2 H3* G 2 -3.967 -15.775 7.302 16 H2* G 2 H2* G 2 -1.779 -16.166 6.416 17 2HO* G 2 2HO* G 2 -0.756 -15.724 8.520 18 H1* G 2 H1* G 2 -1.630 -18.762 7.372 19 H8 G 2 H8 G 2 -5.097 -18.307 5.950 20 H1 G 2 H1 G 2 -0.484 -18.502 1.447 21 1H2 G 2 1H2 G 2 1.515 -18.425 2.421 22 2H2 G 2 2H2 G 2 1.692 -18.387 4.171 23 1H5* C 3 1H5* C 3 -0.198 -14.090 8.589 24 2H5* C 3 2H5* C 3 0.067 -12.433 8.059 25 H4* C 3 H4* C 3 1.649 -14.344 7.234 26 H3* C 3 H3* C 3 0.384 -12.371 5.284 27 H2* C 3 H2* C 3 1.565 -13.431 3.504 28 2HO* C 3 2HO* C 3 3.435 -13.685 5.054 29 H1* C 3 H1* C 3 1.115 -15.995 4.384 30 1H4 C 3 1H4 C 3 -3.385 -15.374 0.023 31 2H4 C 3 2H4 C 3 -4.500 -14.741 1.213 32 H5 C 3 H5 C 3 -3.768 -14.115 3.530 33 H6 C 3 H6 C 3 -1.894 -14.095 5.028 34 1H5* A 4 1H5* A 4 2.078 -8.353 4.982 35 2H5* A 4 2H5* A 4 0.440 -8.731 4.440 36 H4* A 4 H4* A 4 2.982 -10.281 3.744 37 H3* A 4 H3* A 4 1.053 -8.516 2.185 38 H2* A 4 H2* A 4 1.641 -9.763 0.239 39 2HO* A 4 2HO* A 4 3.938 -9.712 1.122 40 H1* A 4 H1* A 4 1.808 -12.215 1.593 41 H8 A 4 H8 A 4 -1.350 -10.971 2.920 42 1H6 A 4 1H6 A 4 -4.176 -12.757 -2.259 43 2H6 A 4 2H6 A 4 -4.328 -12.199 -0.603 44 H2 A 4 H2 A 4 0.272 -12.756 -3.049 45 1H5* C 5 1H5* C 5 4.601 -7.858 -0.181 46 2H5* C 5 2H5* C 5 4.553 -6.192 -0.794 47 H4* C 5 H4* C 5 4.410 -7.926 -2.601 48 H3* C 5 H3* C 5 1.937 -6.209 -2.226 49 H2* C 5 H2* C 5 1.097 -7.276 -4.190 50 2HO* C 5 2HO* C 5 2.314 -8.462 -5.557 51 H1* C 5 H1* C 5 1.963 -9.802 -3.444 52 1H4 C 5 1H4 C 5 -4.258 -9.273 -2.209 53 2H4 C 5 2H4 C 5 -3.962 -8.419 -0.711 54 H5 C 5 H5 C 5 -1.638 -7.814 0.039 55 H6 C 5 H6 C 5 0.681 -7.836 -0.612 56 1H5* U 6 1H5* U 6 2.715 -5.896 -6.300 57 2H5* U 6 2H5* U 6 2.379 -4.307 -6.993 58 H4* U 6 H4* U 6 1.054 -6.213 -7.982 59 H3* U 6 H3* U 6 -0.480 -3.942 -6.702 60 H2* U 6 H2* U 6 -2.515 -5.042 -7.284 61 2HO* U 6 2HO* U 6 -1.450 -5.709 -9.354 62 H1* U 6 H1* U 6 -1.722 -7.546 -6.579 63 H3 U 6 H3 U 6 -4.888 -6.214 -3.562 64 H5 U 6 H5 U 6 -1.167 -5.155 -1.910 65 H6 U 6 H6 U 6 -0.157 -5.550 -4.031 66 1H5* C 7 1H5* C 7 -1.295 -3.269 -11.038 67 2H5* C 7 2H5* C 7 -1.429 -1.552 -11.469 68 H4* C 7 H4* C 7 -3.676 -2.704 -11.060 69 H3* C 7 H3* C 7 -2.875 -0.462 -9.174 70 H2* C 7 H2* C 7 -5.027 -0.671 -8.228 71 2HO* C 7 2HO* C 7 -6.237 -0.686 -10.129 72 H1* C 7 H1* C 7 -5.179 -3.476 -8.729 73 1H4 C 7 1H4 C 7 -4.913 -2.883 -2.467 74 2H4 C 7 2H4 C 7 -3.162 -2.732 -2.430 75 H5 C 7 H5 C 7 -1.840 -2.577 -4.648 76 H6 C 7 H6 C 7 -2.111 -2.493 -7.031 77 1H5* U 8 1H5* U 8 -6.785 0.245 -11.788 78 2H5* U 8 2H5* U 8 -6.904 2.004 -11.976 79 H4* U 8 H4* U 8 -9.059 0.952 -11.287 80 H3* U 8 H3* U 8 -7.782 2.871 -9.310 81 H2* U 8 H2* U 8 -9.841 2.680 -8.068 82 2HO* U 8 2HO* U 8 -11.051 2.652 -10.140 83 H1* U 8 H1* U 8 -10.050 -0.052 -8.398 84 H3 U 8 H3 U 8 -9.208 0.479 -3.942 85 H5 U 8 H5 U 8 -5.447 0.788 -5.817 86 H6 U 8 H6 U 8 -6.563 0.917 -7.947 87 1H5* G 9 1H5* G 9 -11.842 4.495 -10.056 88 2H5* G 9 2H5* G 9 -11.773 6.251 -9.823 89 H4* G 9 H4* G 9 -13.323 5.056 -8.245 90 H3* G 9 H3* G 9 -10.971 6.518 -7.010 91 H2* G 9 H2* G 9 -11.991 5.988 -4.867 92 2HO* G 9 2HO* G 9 -14.168 6.285 -5.860 93 H1* G 9 H1* G 9 -12.455 3.374 -5.504 94 H8 G 9 H8 G 9 -9.104 4.461 -7.044 95 H1 G 9 H1 G 9 -8.871 3.170 -0.751 96 1H2 G 9 1H2 G 9 -10.992 3.133 0.083 97 2H2 G 9 2H2 G 9 -12.367 3.177 -1.010 98 1H5* G 10 1H5* G 10 -14.706 7.839 -5.031 99 2H5* G 10 2H5* G 10 -14.545 9.515 -4.491 100 H4* G 10 H4* G 10 -15.089 7.805 -2.689 101 H3* G 10 H3* G 10 -12.601 9.510 -2.402 102 H2* G 10 H2* G 10 -12.383 8.530 -0.193 103 2HO* G 10 2HO* G 10 -14.810 8.576 -0.032 104 H1* G 10 H1* G 10 -12.893 5.975 -1.026 105 H8 G 10 H8 G 10 -10.783 7.467 -3.784 106 H1 G 10 H1 G 10 -7.447 5.961 1.504 107 1H2 G 10 1H2 G 10 -8.883 5.749 3.258 108 2H2 G 10 2H2 G 10 -10.626 5.789 3.007 109 1H5* U 11 1H5* U 11 -14.848 9.923 1.375 110 2H5* U 11 2H5* U 11 -14.664 11.584 1.966 111 H4* U 11 H4* U 11 -13.812 9.833 3.584 112 H3* U 11 H3* U 11 -11.759 11.791 2.546 113 H2* U 11 H2* U 11 -10.328 10.772 4.193 114 2HO* U 11 2HO* U 11 -12.045 10.575 5.762 115 H1* U 11 H1* U 11 -11.005 8.213 3.538 116 H3 U 11 H3 U 11 -6.729 9.174 2.213 117 H5 U 11 H5 U 11 -9.197 10.514 -0.939 118 H6 U 11 H6 U 11 -11.097 10.161 0.469 119 1H5* A 12 1H5* A 12 -13.253 13.280 6.664 120 2H5* A 12 2H5* A 12 -12.622 14.874 7.098 121 H4* A 12 H4* A 12 -11.389 12.847 8.045 122 H3* A 12 H3* A 12 -9.864 14.918 6.485 123 H2* A 12 H2* A 12 -7.894 13.732 7.121 124 2HO* A 12 2HO* A 12 -8.544 13.371 9.299 125 H1* A 12 H1* A 12 -8.973 11.206 6.635 126 H8 A 12 H8 A 12 -10.149 13.555 3.979 127 1H6 A 12 1H6 A 12 -4.814 12.502 1.044 128 2H6 A 12 2H6 A 12 -6.456 13.115 0.931 129 H2 A 12 H2 A 12 -4.316 11.205 5.318 130 1H5* U 13 1H5* U 13 -6.940 16.427 10.968 131 2H5* U 13 2H5* U 13 -6.828 16.939 9.287 132 H4* U 13 H4* U 13 -5.428 14.637 10.658 133 H3* U 13 H3* U 13 -4.819 16.925 8.770 134 H2* U 13 H2* U 13 -2.989 15.811 7.830 135 2HO* U 13 2HO* U 13 -2.169 13.892 8.685 136 H1* U 13 H1* U 13 -4.295 13.411 7.546 137 H3 U 13 H3 U 13 -4.212 15.102 3.308 138 H5 U 13 H5 U 13 -7.777 16.452 5.130 139 H6 U 13 H6 U 13 -6.805 15.916 7.258 140 1H5* C 14 1H5* C 14 -1.289 16.590 10.004 141 2H5* C 14 2H5* C 14 -0.589 18.118 10.572 142 H4* C 14 H4* C 14 0.752 17.364 8.749 143 H3* C 14 H3* C 14 -1.168 19.479 7.719 144 H2* C 14 H2* C 14 0.221 19.397 5.692 145 2HO* C 14 2HO* C 14 2.118 18.906 7.200 146 H1* C 14 H1* C 14 0.048 16.686 5.595 147 1H4 C 14 1H4 C 14 -5.011 18.894 2.375 148 2H4 C 14 2H4 C 14 -5.930 19.123 3.845 149 H5 C 14 H5 C 14 -4.931 18.672 6.107 150 H6 C 14 H6 C 14 -2.922 18.035 7.236 151 1H5* A 15 1H5* A 15 0.257 22.497 6.020 152 2H5* A 15 2H5* A 15 1.398 21.127 6.018 153 H4* A 15 H4* A 15 1.841 24.052 5.462 154 H3* A 15 H3* A 15 1.370 22.058 3.706 155 H2* A 15 H2* A 15 2.905 20.475 4.488 156 2HO* A 15 2HO* A 15 3.952 22.111 2.502 157 H1* A 15 H1* A 15 5.076 22.520 4.749 158 H8 A 15 H8 A 15 4.071 19.081 5.585 159 1H6 A 15 1H6 A 15 8.330 19.153 10.067 160 2H6 A 15 2H6 A 15 7.241 18.158 9.104 161 H2 A 15 H2 A 15 7.701 23.362 8.738 162 1H5* C 16 1H5* C 16 1.822 21.530 0.985 163 2H5* C 16 2H5* C 16 2.182 22.888 -0.044 164 H4* C 16 H4* C 16 0.876 21.376 -1.241 165 H3* C 16 H3* C 16 -0.075 23.925 -1.259 166 H2* C 16 H2* C 16 -1.355 23.778 0.725 167 2HO* C 16 2HO* C 16 -3.606 23.361 0.048 168 H1* C 16 H1* C 16 -2.573 21.187 -0.116 169 1H4 C 16 1H4 C 16 -3.906 22.135 6.165 170 2H4 C 16 2H4 C 16 -2.263 21.717 6.605 171 H5 C 16 H5 C 16 -0.593 21.100 4.840 172 H6 C 16 H6 C 16 -0.144 21.021 2.517 173 1H5* G 17 1H5* G 17 0.626 20.132 -4.598 174 2H5* G 17 2H5* G 17 0.476 20.121 -2.843 175 H4* G 17 H4* G 17 3.080 20.437 -4.419 176 H3* G 17 H3* G 17 1.911 18.158 -2.772 177 H2* G 17 H2* G 17 4.092 17.594 -2.139 178 2HO* G 17 2HO* G 17 4.610 17.990 -4.576 179 H1* G 17 H1* G 17 5.111 20.262 -2.338 180 H8 G 17 H8 G 17 6.357 19.589 -0.163 181 H1 G 17 H1 G 17 0.922 17.895 2.798 182 1H2 G 17 1H2 G 17 -0.762 17.881 1.384 183 2H2 G 17 2H2 G 17 -0.565 18.410 -0.279 184 1H5* G 18 1H5* G 18 4.212 15.816 -3.725 185 2H5* G 18 2H5* G 18 3.623 14.173 -4.003 186 H4* G 18 H4* G 18 4.744 14.853 -1.702 187 H3* G 18 H3* G 18 2.231 13.187 -1.920 188 H2* G 18 H2* G 18 2.314 12.993 0.477 189 2HO* G 18 2HO* G 18 4.770 12.932 0.277 190 H1* G 18 H1* G 18 2.883 15.632 0.948 191 H8 G 18 H8 G 18 0.411 15.343 -1.928 192 H1 G 18 H1 G 18 -2.253 14.421 3.860 193 1H2 G 18 1H2 G 18 -0.621 14.073 5.380 194 2H2 G 18 2H2 G 18 1.075 14.233 4.951 195 1H5* U 19 1H5* U 19 4.869 11.197 0.925 196 2H5* U 19 2H5* U 19 4.679 9.446 0.830 197 H4* U 19 H4* U 19 4.161 10.510 3.067 198 H3* U 19 H3* U 19 1.994 8.843 1.738 199 H2* U 19 H2* U 19 0.797 9.102 3.822 200 2HO* U 19 2HO* U 19 2.792 8.928 5.073 201 H1* U 19 H1* U 19 1.245 11.774 4.023 202 H3 U 19 H3 U 19 -3.156 11.418 2.728 203 H5 U 19 H5 U 19 -0.909 11.333 -0.829 204 H6 U 19 H6 U 19 1.068 11.085 0.469 205 1H5* A 20 1H5* A 20 3.089 6.853 5.469 206 2H5* A 20 2H5* A 20 2.801 5.105 5.374 207 H4* A 20 H4* A 20 1.440 6.272 7.095 208 H3* A 20 H3* A 20 -0.201 4.958 4.862 209 H2* A 20 H2* A 20 -2.077 5.556 6.152 210 2HO* A 20 2HO* A 20 -0.697 5.294 8.204 211 H1* A 20 H1* A 20 -1.427 7.996 6.560 212 H8 A 20 H8 A 20 0.082 7.186 3.102 213 1H6 A 20 1H6 A 20 -5.297 8.933 0.705 214 2H6 A 20 2H6 A 20 -3.644 8.440 0.436 215 H2 A 20 H2 A 20 -5.829 8.599 5.200 216 1H5* C 21 1H5* C 21 -2.122 4.126 8.197 217 2H5* C 21 2H5* C 21 -2.593 2.503 8.367 218 H4* C 21 H4* C 21 -4.519 3.989 8.488 219 H3* C 21 H3* C 21 -4.567 2.293 5.948 220 H2* C 21 H2* C 21 -6.717 3.271 5.568 221 2HO* C 21 2HO* C 21 -7.177 3.217 7.920 222 H1* C 21 H1* C 21 -5.882 5.824 6.104 223 1H4 C 21 1H4 C 21 -5.205 5.533 -0.115 224 2H4 C 21 2H4 C 21 -3.531 5.015 0.016 225 H5 C 21 H5 C 21 -2.534 4.380 2.259 226 H6 C 21 H6 C 21 -2.977 4.254 4.606 227 1H5* C 22 1H5* C 22 -8.247 1.507 8.057 228 2H5* C 22 2H5* C 22 -8.824 -0.148 7.772 229 H4* C 22 H4* C 22 -10.350 1.692 6.908 230 H3* C 22 H3* C 22 -9.210 -0.306 4.924 231 H2* C 22 H2* C 22 -10.548 0.765 3.264 232 2HO* C 22 2HO* C 22 -12.256 1.026 5.022 233 H1* C 22 H1* C 22 -10.043 3.339 4.137 234 1H4 C 22 1H4 C 22 -6.370 2.554 -0.925 235 2H4 C 22 2H4 C 22 -5.079 1.824 0.000 236 H5 C 22 H5 C 22 -5.308 1.475 2.520 237 H6 C 22 H6 C 22 -6.846 1.557 4.349 238 1H5* U 23 1H5* U 23 -13.306 -0.258 3.883 239 2H5* U 23 2H5* U 23 -13.831 -1.898 3.471 240 H4* U 23 H4* U 23 -14.029 -0.275 1.584 241 H3* U 23 H3* U 23 -12.099 -2.583 1.213 242 H2* U 23 H2* U 23 -11.890 -1.834 -1.083 243 2HO* U 23 2HO* U 23 -14.192 -1.321 -1.199 244 H1* U 23 H1* U 23 -11.746 0.823 -0.435 245 H3 U 23 H3 U 23 -7.569 -0.080 -1.910 246 H5 U 23 H5 U 23 -7.653 -1.657 1.999 247 H6 U 23 H6 U 23 -10.017 -1.227 2.070 248 1H5* U 24 1H5* U 24 -15.124 -2.515 -2.100 249 2H5* U 24 2H5* U 24 -15.388 -4.168 -2.676 250 H4* U 24 H4* U 24 -14.595 -2.548 -4.454 251 H3* U 24 H3* U 24 -12.813 -4.911 -3.802 252 H2* U 24 H2* U 24 -11.553 -4.272 -5.752 253 2HO* U 24 2HO* U 24 -12.237 -2.707 -7.164 254 H1* U 24 H1* U 24 -11.608 -1.572 -5.096 255 H3 U 24 H3 U 24 -7.278 -2.748 -4.629 256 H5 U 24 H5 U 24 -9.109 -4.230 -1.161 257 H6 U 24 H6 U 24 -11.281 -3.755 -2.145 258 1H5* U 25 1H5* U 25 -13.558 -5.080 -7.971 259 2H5* U 25 2H5* U 25 -13.725 -6.756 -8.522 260 H4* U 25 H4* U 25 -11.930 -5.544 -9.719 261 H3* U 25 H3* U 25 -10.965 -7.824 -7.943 262 H2* U 25 H2* U 25 -8.831 -7.483 -8.926 263 2HO* U 25 2HO* U 25 -9.953 -7.046 -11.034 264 H1* U 25 H1* U 25 -8.936 -4.733 -8.769 265 H3 U 25 H3 U 25 -5.799 -5.963 -5.694 266 H5 U 25 H5 U 25 -9.453 -6.594 -3.756 267 H6 U 25 H6 U 25 -10.592 -6.226 -5.855 268 1H5* G 26 1H5* G 26 -9.609 -9.007 -11.816 269 2H5* G 26 2H5* G 26 -9.652 -10.778 -11.952 270 H4* G 26 H4* G 26 -7.337 -9.790 -12.100 271 H3* G 26 H3* G 26 -7.911 -11.592 -9.731 272 H2* G 26 H2* G 26 -5.577 -11.438 -9.224 273 2HO* G 26 2HO* G 26 -4.405 -11.501 -10.984 274 H1* G 26 H1* G 26 -5.454 -8.711 -9.759 275 H8 G 26 H8 G 26 -8.568 -9.323 -7.701 276 H1 G 26 H1 G 26 -3.069 -9.899 -4.400 277 1H2 G 26 1H2 G 26 -1.324 -10.075 -5.892 278 2H2 G 26 2H2 G 26 -1.622 -9.923 -7.618 279 1H5* U 27 1H5* U 27 -4.429 -13.075 -12.102 280 2H5* U 27 2H5* U 27 -4.348 -14.839 -12.001 281 H4* U 27 H4* U 27 -2.232 -13.668 -11.344 282 H3* U 27 H3* U 27 -3.560 -15.312 -9.153 283 H2* U 27 H2* U 27 -1.510 -14.995 -7.975 284 2HO* U 27 2HO* U 27 -0.110 -15.132 -9.794 285 H1* U 27 H1* U 27 -1.458 -12.313 -8.456 286 H3 U 27 H3 U 27 -2.614 -13.036 -4.050 287 H5 U 27 H5 U 27 -6.214 -13.322 -6.228 288 H6 U 27 H6 U 27 -4.946 -13.284 -8.256 289 1H5* G 28 1H5* G 28 0.409 -17.102 -10.122 290 2H5* G 28 2H5* G 28 0.543 -18.753 -9.493 291 H4* G 28 H4* G 28 2.123 -16.917 -8.571 292 H3* G 28 H3* G 28 0.624 -18.668 -6.649 293 H2* G 28 H2* G 28 1.910 -17.510 -4.934 294 2HO* G 28 2HO* G 28 3.532 -16.088 -5.415 295 H1* G 28 H1* G 28 1.353 -15.016 -5.943 296 H8 G 28 H8 G 28 -1.868 -16.692 -6.644 297 H1 G 28 H1 G 28 -0.958 -15.672 -0.364 298 1H2 G 28 1H2 G 28 1.259 -15.384 0.049 299 2H2 G 28 2H2 G 28 2.410 -15.270 -1.270 300 1H5* U 29 1H5* U 29 4.519 -18.748 -5.484 301 2H5* U 29 2H5* U 29 5.146 -20.361 -5.102 302 H4* U 29 H4* U 29 5.347 -18.859 -3.179 303 H3* U 29 H3* U 29 3.313 -21.094 -2.814 304 H2* U 29 H2* U 29 3.106 -20.398 -0.558 305 2HO* U 29 2HO* U 29 5.496 -19.857 -0.594 306 H1* U 29 H1* U 29 2.896 -17.744 -1.146 307 H3 U 29 H3 U 29 -1.429 -19.048 -0.162 308 H5 U 29 H5 U 29 -0.901 -19.602 -4.301 309 H6 U 29 H6 U 29 1.403 -19.289 -4.028 310 1H5* C 30 1H5* C 30 6.119 -21.511 0.222 311 2H5* C 30 2H5* C 30 6.499 -23.210 0.554 312 H4* C 30 H4* C 30 5.602 -22.023 2.524 313 H3* C 30 H3* C 30 3.781 -24.178 1.371 314 H2* C 30 H2* C 30 2.406 -23.876 3.302 315 2HO* C 30 2HO* C 30 4.620 -23.554 4.496 316 H1* C 30 H1* C 30 2.777 -21.095 3.379 317 1H4 C 30 1H4 C 30 -3.000 -21.711 0.965 318 2H4 C 30 2H4 C 30 -2.404 -21.933 -0.670 319 H5 C 30 H5 C 30 0.092 -22.345 -1.093 320 H6 C 30 H6 C 30 2.248 -22.368 -0.031 321 H3T C 30 HE C 30 4.804 -25.468 2.830 Start of MODEL 13 1 1H5* G 1 1H5* G 1 -12.073 -20.635 7.281 2 2H5* G 1 2H5* G 1 -11.486 -21.695 5.989 3 H4* G 1 H4* G 1 -10.201 -21.578 8.588 4 H3* G 1 H3* G 1 -9.567 -20.056 6.070 5 H2* G 1 H2* G 1 -7.250 -20.130 6.773 6 2HO* G 1 2HO* G 1 -8.002 -19.920 9.082 7 H1* G 1 H1* G 1 -7.316 -22.770 7.418 8 H8 G 1 H8 G 1 -9.559 -22.427 4.380 9 H1 G 1 H1 G 1 -3.308 -21.919 2.973 10 1H2 G 1 1H2 G 1 -2.119 -21.716 4.914 11 2H2 G 1 2H2 G 1 -2.923 -21.777 6.479 12 1H5* G 2 1H5* G 2 -7.290 -18.238 9.210 13 2H5* G 2 2H5* G 2 -7.200 -16.489 8.969 14 H4* G 2 H4* G 2 -4.946 -17.654 9.049 15 H3* G 2 H3* G 2 -5.656 -16.195 6.489 16 H2* G 2 H2* G 2 -3.360 -16.532 5.963 17 2HO* G 2 2HO* G 2 -2.742 -16.137 8.251 18 H1* G 2 H1* G 2 -3.312 -19.154 6.845 19 H8 G 2 H8 G 2 -6.543 -18.755 4.966 20 H1 G 2 H1 G 2 -1.356 -18.478 1.123 21 1H2 G 2 1H2 G 2 0.494 -18.476 2.379 22 2H2 G 2 2H2 G 2 0.415 -18.496 4.137 23 1H5* C 3 1H5* C 3 -2.265 -14.467 8.382 24 2H5* C 3 2H5* C 3 -1.954 -12.777 7.969 25 H4* C 3 H4* C 3 -0.243 -14.586 7.296 26 H3* C 3 H3* C 3 -1.319 -12.590 5.246 27 H2* C 3 H2* C 3 0.280 -13.462 3.698 28 2HO* C 3 2HO* C 3 1.872 -13.615 5.503 29 H1* C 3 H1* C 3 -0.184 -16.084 4.366 30 1H4 C 3 1H4 C 3 -4.010 -15.450 -0.616 31 2H4 C 3 2H4 C 3 -5.324 -14.953 0.426 32 H5 C 3 H5 C 3 -4.989 -14.448 2.845 33 H6 C 3 H6 C 3 -3.393 -14.436 4.615 34 1H5* A 4 1H5* A 4 2.839 -11.490 5.440 35 2H5* A 4 2H5* A 4 3.001 -9.743 5.177 36 H4* A 4 H4* A 4 4.067 -11.174 3.411 37 H3* A 4 H3* A 4 1.791 -9.371 2.511 38 H2* A 4 H2* A 4 2.338 -10.046 0.284 39 2HO* A 4 2HO* A 4 4.664 -9.969 0.816 40 H1* A 4 H1* A 4 2.639 -12.706 0.917 41 H8 A 4 H8 A 4 -0.317 -11.326 2.880 42 1H6 A 4 1H6 A 4 -3.668 -12.740 -2.155 43 2H6 A 4 2H6 A 4 -3.704 -12.284 -0.458 44 H2 A 4 H2 A 4 0.666 -12.949 -3.267 45 1H5* C 5 1H5* C 5 5.295 -7.997 0.143 46 2H5* C 5 2H5* C 5 5.057 -6.292 -0.295 47 H4* C 5 H4* C 5 5.106 -7.925 -2.241 48 H3* C 5 H3* C 5 2.578 -6.293 -1.838 49 H2* C 5 H2* C 5 1.821 -7.281 -3.905 50 2HO* C 5 2HO* C 5 4.144 -7.147 -4.683 51 H1* C 5 H1* C 5 2.668 -9.826 -3.272 52 1H4 C 5 1H4 C 5 -3.565 -9.412 -1.975 53 2H4 C 5 2H4 C 5 -3.248 -8.671 -0.420 54 H5 C 5 H5 C 5 -0.927 -8.098 0.341 55 H6 C 5 H6 C 5 1.373 -8.055 -0.324 56 1H5* U 6 1H5* U 6 3.347 -5.744 -5.936 57 2H5* U 6 2H5* U 6 2.957 -4.118 -6.501 58 H4* U 6 H4* U 6 1.656 -5.998 -7.584 59 H3* U 6 H3* U 6 0.117 -3.827 -6.149 60 H2* U 6 H2* U 6 -1.914 -4.921 -6.779 61 2HO* U 6 2HO* U 6 -0.850 -5.437 -8.897 62 H1* U 6 H1* U 6 -1.076 -7.457 -6.239 63 H3 U 6 H3 U 6 -4.213 -6.342 -3.094 64 H5 U 6 H5 U 6 -0.482 -5.281 -1.460 65 H6 U 6 H6 U 6 0.497 -5.581 -3.608 66 1H5* C 7 1H5* C 7 -0.685 -2.966 -10.467 67 2H5* C 7 2H5* C 7 -0.897 -1.241 -10.829 68 H4* C 7 H4* C 7 -3.090 -2.521 -10.464 69 H3* C 7 H3* C 7 -2.395 -0.283 -8.533 70 H2* C 7 H2* C 7 -4.546 -0.606 -7.610 71 2HO* C 7 2HO* C 7 -5.736 -0.642 -9.523 72 H1* C 7 H1* C 7 -4.566 -3.406 -8.154 73 1H4 C 7 1H4 C 7 -4.282 -3.028 -1.882 74 2H4 C 7 2H4 C 7 -2.534 -2.848 -1.857 75 H5 C 7 H5 C 7 -1.237 -2.578 -4.073 76 H6 C 7 H6 C 7 -1.530 -2.390 -6.444 77 1H5* U 8 1H5* U 8 -6.264 0.240 -11.234 78 2H5* U 8 2H5* U 8 -6.482 1.989 -11.436 79 H4* U 8 H4* U 8 -8.592 0.804 -10.804 80 H3* U 8 H3* U 8 -7.487 2.833 -8.838 81 H2* U 8 H2* U 8 -9.532 2.523 -7.606 82 2HO* U 8 2HO* U 8 -10.709 2.383 -9.706 83 H1* U 8 H1* U 8 -9.577 -0.221 -7.892 84 H3 U 8 H3 U 8 -8.761 0.359 -3.443 85 H5 U 8 H5 U 8 -5.032 0.921 -5.320 86 H6 U 8 H6 U 8 -6.156 0.990 -7.445 87 1H5* G 9 1H5* G 9 -11.620 4.223 -9.642 88 2H5* G 9 2H5* G 9 -11.641 5.987 -9.447 89 H4* G 9 H4* G 9 -13.112 4.748 -7.828 90 H3* G 9 H3* G 9 -10.830 6.359 -6.650 91 H2* G 9 H2* G 9 -11.761 5.790 -4.482 92 2HO* G 9 2HO* G 9 -13.976 5.950 -5.423 93 H1* G 9 H1* G 9 -12.090 3.148 -5.067 94 H8 G 9 H8 G 9 -8.855 4.450 -6.708 95 H1 G 9 H1 G 9 -8.330 3.027 -0.464 96 1H2 G 9 1H2 G 9 -10.403 2.873 0.448 97 2H2 G 9 2H2 G 9 -11.826 2.858 -0.584 98 1H5* G 10 1H5* G 10 -14.597 7.485 -4.573 99 2H5* G 10 2H5* G 10 -14.502 9.162 -4.016 100 H4* G 10 H4* G 10 -14.875 7.387 -2.220 101 H3* G 10 H3* G 10 -12.516 9.269 -2.008 102 H2* G 10 H2* G 10 -12.072 8.255 0.145 103 2HO* G 10 2HO* G 10 -14.473 8.125 0.481 104 H1* G 10 H1* G 10 -12.464 5.678 -0.696 105 H8 G 10 H8 G 10 -10.633 7.395 -3.535 106 H1 G 10 H1 G 10 -6.865 5.941 1.463 107 1H2 G 10 1H2 G 10 -8.154 5.633 3.311 108 2H2 G 10 2H2 G 10 -9.908 5.563 3.184 109 1H5* U 11 1H5* U 11 -14.628 9.419 1.901 110 2H5* U 11 2H5* U 11 -14.506 11.062 2.557 111 H4* U 11 H4* U 11 -13.440 9.270 4.020 112 H3* U 11 H3* U 11 -11.616 11.454 3.015 113 H2* U 11 H2* U 11 -10.000 10.427 4.482 114 2HO* U 11 2HO* U 11 -11.612 9.982 6.125 115 H1* U 11 H1* U 11 -10.517 7.881 3.681 116 H3 U 11 H3 U 11 -6.438 9.173 2.089 117 H5 U 11 H5 U 11 -9.221 10.539 -0.767 118 H6 U 11 H6 U 11 -10.978 10.027 0.775 119 1H5* A 12 1H5* A 12 -12.887 12.492 7.319 120 2H5* A 12 2H5* A 12 -12.363 14.103 7.825 121 H4* A 12 H4* A 12 -10.868 12.144 8.500 122 H3* A 12 H3* A 12 -9.689 14.438 6.945 123 H2* A 12 H2* A 12 -7.567 13.407 7.329 124 2HO* A 12 2HO* A 12 -7.953 12.858 9.521 125 H1* A 12 H1* A 12 -8.479 10.822 6.778 126 H8 A 12 H8 A 12 -10.066 13.205 4.382 127 1H6 A 12 1H6 A 12 -5.010 12.620 0.879 128 2H6 A 12 2H6 A 12 -6.695 13.112 0.959 129 H2 A 12 H2 A 12 -3.974 11.245 5.031 130 1H5* U 13 1H5* U 13 -6.420 15.928 11.194 131 2H5* U 13 2H5* U 13 -6.526 16.519 9.539 132 H4* U 13 H4* U 13 -4.847 14.248 10.627 133 H3* U 13 H3* U 13 -4.579 16.683 8.848 134 H2* U 13 H2* U 13 -2.799 15.755 7.661 135 2HO* U 13 2HO* U 13 -1.763 13.859 8.305 136 H1* U 13 H1* U 13 -3.957 13.287 7.355 137 H3 U 13 H3 U 13 -4.455 15.134 3.219 138 H5 U 13 H5 U 13 -7.869 16.183 5.465 139 H6 U 13 H6 U 13 -6.649 15.627 7.455 140 1H5* C 14 1H5* C 14 -0.920 16.497 9.641 141 2H5* C 14 2H5* C 14 -0.241 18.034 10.211 142 H4* C 14 H4* C 14 0.890 17.460 8.194 143 H3* C 14 H3* C 14 -1.240 19.524 7.539 144 H2* C 14 H2* C 14 -0.066 19.654 5.366 145 2HO* C 14 2HO* C 14 1.955 19.013 6.732 146 H1* C 14 H1* C 14 -0.167 16.949 5.100 147 1H4 C 14 1H4 C 14 -5.745 18.941 2.713 148 2H4 C 14 2H4 C 14 -6.470 19.035 4.302 149 H5 C 14 H5 C 14 -5.152 18.534 6.379 150 H6 C 14 H6 C 14 -2.981 18.012 7.207 151 1H5* A 15 1H5* A 15 -0.345 22.768 6.068 152 2H5* A 15 2H5* A 15 0.889 21.519 5.777 153 H4* A 15 H4* A 15 0.987 24.500 5.367 154 H3* A 15 H3* A 15 0.610 22.488 3.580 155 H2* A 15 H2* A 15 2.420 21.121 4.223 156 2HO* A 15 2HO* A 15 3.814 21.165 2.526 157 H1* A 15 H1* A 15 4.221 23.511 4.238 158 H8 A 15 H8 A 15 3.442 20.132 5.896 159 1H6 A 15 1H6 A 15 8.853 20.739 8.824 160 2H6 A 15 2H6 A 15 7.454 19.708 8.539 161 H2 A 15 H2 A 15 8.167 24.453 6.440 162 1H5* C 16 1H5* C 16 0.770 22.174 0.790 163 2H5* C 16 2H5* C 16 0.809 23.628 -0.177 164 H4* C 16 H4* C 16 -0.433 21.988 -1.302 165 H3* C 16 H3* C 16 -1.588 24.435 -1.071 166 H2* C 16 H2* C 16 -2.690 24.107 0.992 167 2HO* C 16 2HO* C 16 -4.270 23.527 -1.228 168 H1* C 16 H1* C 16 -3.729 21.443 0.171 169 1H4 C 16 1H4 C 16 -4.373 21.896 6.613 170 2H4 C 16 2H4 C 16 -2.653 21.655 6.833 171 H5 C 16 H5 C 16 -1.161 21.326 4.855 172 H6 C 16 H6 C 16 -0.983 21.426 2.495 173 1H5* G 17 1H5* G 17 -0.892 20.928 -4.708 174 2H5* G 17 2H5* G 17 -0.838 20.793 -2.953 175 H4* G 17 H4* G 17 1.521 21.483 -4.781 176 H3* G 17 H3* G 17 0.794 19.007 -3.168 177 H2* G 17 H2* G 17 3.070 18.644 -2.792 178 2HO* G 17 2HO* G 17 3.277 19.234 -5.245 179 H1* G 17 H1* G 17 3.797 21.412 -2.924 180 H8 G 17 H8 G 17 5.299 20.826 -0.876 181 H1 G 17 H1 G 17 0.367 18.370 2.415 182 1H2 G 17 1H2 G 17 -1.426 18.253 1.150 183 2H2 G 17 2H2 G 17 -1.421 18.835 -0.509 184 1H5* G 18 1H5* G 18 3.145 16.961 -4.513 185 2H5* G 18 2H5* G 18 2.680 15.292 -4.869 186 H4* G 18 H4* G 18 3.968 15.900 -2.639 187 H3* G 18 H3* G 18 1.583 14.043 -2.729 188 H2* G 18 H2* G 18 1.920 13.711 -0.371 189 2HO* G 18 2HO* G 18 4.339 13.863 -0.795 190 H1* G 18 H1* G 18 2.323 16.356 0.227 191 H8 G 18 H8 G 18 -0.394 16.024 -2.424 192 H1 G 18 H1 G 18 -2.398 14.611 3.530 193 1H2 G 18 1H2 G 18 -0.599 14.317 4.866 194 2H2 G 18 2H2 G 18 1.029 14.627 4.283 195 1H5* U 19 1H5* U 19 4.690 12.112 -0.290 196 2H5* U 19 2H5* U 19 4.603 10.359 -0.457 197 H4* U 19 H4* U 19 4.267 11.320 1.877 198 H3* U 19 H3* U 19 2.130 9.480 0.747 199 H2* U 19 H2* U 19 1.150 9.594 2.952 200 2HO* U 19 2HO* U 19 3.268 9.577 3.983 201 H1* U 19 H1* U 19 1.372 12.290 3.186 202 H3 U 19 H3 U 19 -3.102 11.614 2.352 203 H5 U 19 H5 U 19 -1.246 11.777 -1.421 204 H6 U 19 H6 U 19 0.870 11.645 -0.346 205 1H5* A 20 1H5* A 20 3.784 7.567 4.345 206 2H5* A 20 2H5* A 20 3.618 5.803 4.263 207 H4* A 20 H4* A 20 2.364 6.889 6.126 208 H3* A 20 H3* A 20 0.610 5.400 4.105 209 H2* A 20 H2* A 20 -1.168 5.903 5.582 210 2HO* A 20 2HO* A 20 0.430 5.804 7.478 211 H1* A 20 H1* A 20 -0.674 8.395 5.855 212 H8 A 20 H8 A 20 0.540 7.633 2.271 213 1H6 A 20 1H6 A 20 -5.151 8.951 0.406 214 2H6 A 20 2H6 A 20 -3.501 8.568 -0.019 215 H2 A 20 H2 A 20 -5.234 8.603 4.928 216 1H5* C 21 1H5* C 21 -0.876 4.553 7.702 217 2H5* C 21 2H5* C 21 -1.242 2.923 7.982 218 H4* C 21 H4* C 21 -3.210 4.319 8.282 219 H3* C 21 H3* C 21 -3.476 2.527 5.828 220 H2* C 21 H2* C 21 -5.704 3.407 5.667 221 2HO* C 21 2HO* C 21 -5.842 3.454 8.077 222 H1* C 21 H1* C 21 -4.930 6.002 5.976 223 1H4 C 21 1H4 C 21 -4.819 5.542 -0.260 224 2H4 C 21 2H4 C 21 -3.119 5.111 -0.264 225 H5 C 21 H5 C 21 -1.896 4.583 1.884 226 H6 C 21 H6 C 21 -2.114 4.492 4.260 227 1H5* C 22 1H5* C 22 -6.948 1.834 8.295 228 2H5* C 22 2H5* C 22 -7.504 0.152 8.167 229 H4* C 22 H4* C 22 -9.161 1.896 7.348 230 H3* C 22 H3* C 22 -8.152 -0.202 5.398 231 H2* C 22 H2* C 22 -9.648 0.718 3.793 232 2HO* C 22 2HO* C 22 -11.209 1.064 5.672 233 H1* C 22 H1* C 22 -9.152 3.357 4.426 234 1H4 C 22 1H4 C 22 -5.772 2.472 -0.799 235 2H4 C 22 2H4 C 22 -4.374 1.926 0.103 236 H5 C 22 H5 C 22 -4.470 1.595 2.611 237 H6 C 22 H6 C 22 -5.898 1.682 4.522 238 1H5* U 23 1H5* U 23 -12.332 -0.334 4.661 239 2H5* U 23 2H5* U 23 -12.806 -2.017 4.380 240 H4* U 23 H4* U 23 -13.189 -0.524 2.416 241 H3* U 23 H3* U 23 -11.167 -2.752 2.042 242 H2* U 23 H2* U 23 -11.143 -2.108 -0.300 243 2HO* U 23 2HO* U 23 -13.449 -1.704 -0.339 244 H1* U 23 H1* U 23 -11.064 0.576 0.216 245 H3 U 23 H3 U 23 -6.947 -0.284 -1.448 246 H5 U 23 H5 U 23 -6.771 -1.706 2.515 247 H6 U 23 H6 U 23 -9.135 -1.314 2.708 248 1H5* U 24 1H5* U 24 -14.401 -2.969 -1.065 249 2H5* U 24 2H5* U 24 -14.587 -4.643 -1.606 250 H4* U 24 H4* U 24 -14.027 -2.976 -3.431 251 H3* U 24 H3* U 24 -12.109 -5.273 -2.940 252 H2* U 24 H2* U 24 -11.010 -4.539 -4.976 253 2HO* U 24 2HO* U 24 -13.216 -3.993 -5.858 254 H1* U 24 H1* U 24 -11.111 -1.867 -4.307 255 H3 U 24 H3 U 24 -6.697 -2.882 -3.989 256 H5 U 24 H5 U 24 -8.361 -4.528 -0.511 257 H6 U 24 H6 U 24 -10.573 -4.076 -1.392 258 1H5* U 25 1H5* U 25 -13.119 -5.393 -7.140 259 2H5* U 25 2H5* U 25 -13.185 -7.076 -7.681 260 H4* U 25 H4* U 25 -11.531 -5.698 -8.932 261 H3* U 25 H3* U 25 -10.371 -7.982 -7.286 262 H2* U 25 H2* U 25 -8.311 -7.508 -8.375 263 2HO* U 25 2HO* U 25 -9.563 -7.054 -10.402 264 H1* U 25 H1* U 25 -8.534 -4.776 -8.096 265 H3 U 25 H3 U 25 -5.197 -6.017 -5.230 266 H5 U 25 H5 U 25 -8.730 -6.866 -3.149 267 H6 U 25 H6 U 25 -9.982 -6.447 -5.171 268 1H5* G 26 1H5* G 26 -9.244 -8.929 -11.278 269 2H5* G 26 2H5* G 26 -9.219 -10.689 -11.512 270 H4* G 26 H4* G 26 -6.984 -9.572 -11.791 271 H3* G 26 H3* G 26 -7.243 -11.562 -9.512 272 H2* G 26 H2* G 26 -4.844 -11.298 -9.252 273 2HO* G 26 2HO* G 26 -4.655 -11.137 -11.655 274 H1* G 26 H1* G 26 -4.949 -8.542 -9.470 275 H8 G 26 H8 G 26 -7.959 -9.455 -7.396 276 H1 G 26 H1 G 26 -2.387 -9.940 -4.211 277 1H2 G 26 1H2 G 26 -0.663 -10.010 -5.725 278 2H2 G 26 2H2 G 26 -0.983 -9.814 -7.442 279 1H5* U 27 1H5* U 27 -3.851 -12.800 -12.075 280 2H5* U 27 2H5* U 27 -3.773 -14.569 -12.117 281 H4* U 27 H4* U 27 -1.658 -13.473 -11.363 282 H3* U 27 H3* U 27 -3.025 -15.239 -9.298 283 H2* U 27 H2* U 27 -0.997 -14.984 -8.052 284 2HO* U 27 2HO* U 27 0.375 -15.053 -9.944 285 H1* U 27 H1* U 27 -0.892 -12.278 -8.425 286 H3 U 27 H3 U 27 -2.056 -13.100 -4.057 287 H5 U 27 H5 U 27 -5.662 -13.330 -6.211 288 H6 U 27 H6 U 27 -4.403 -13.230 -8.255 289 1H5* G 28 1H5* G 28 0.991 -16.979 -10.104 290 2H5* G 28 2H5* G 28 1.024 -18.684 -9.616 291 H4* G 28 H4* G 28 2.583 -17.067 -8.390 292 H3* G 28 H3* G 28 0.742 -18.763 -6.731 293 H2* G 28 H2* G 28 1.908 -17.792 -4.829 294 2HO* G 28 2HO* G 28 3.671 -16.476 -5.060 295 H1* G 28 H1* G 28 1.632 -15.233 -5.721 296 H8 G 28 H8 G 28 -1.550 -16.753 -6.958 297 H1 G 28 H1 G 28 -1.517 -15.878 -0.597 298 1H2 G 28 1H2 G 28 0.630 -15.659 0.136 299 2H2 G 28 2H2 G 28 1.963 -15.599 -1.006 300 1H5* U 29 1H5* U 29 4.467 -19.200 -5.136 301 2H5* U 29 2H5* U 29 4.912 -20.869 -4.745 302 H4* U 29 H4* U 29 5.007 -19.449 -2.760 303 H3* U 29 H3* U 29 2.771 -21.504 -2.710 304 H2* U 29 H2* U 29 2.366 -20.855 -0.463 305 2HO* U 29 2HO* U 29 4.765 -20.520 -0.186 306 H1* U 29 H1* U 29 2.421 -18.179 -0.975 307 H3 U 29 H3 U 29 -2.080 -19.265 -0.556 308 H5 U 29 H5 U 29 -1.087 -19.693 -4.616 309 H6 U 29 H6 U 29 1.180 -19.524 -4.056 310 1H5* C 30 1H5* C 30 5.234 -22.227 0.602 311 2H5* C 30 2H5* C 30 5.380 -23.954 0.966 312 H4* C 30 H4* C 30 4.409 -22.612 2.829 313 H3* C 30 H3* C 30 2.575 -24.673 1.535 314 H2* C 30 H2* C 30 0.981 -24.181 3.227 315 2HO* C 30 2HO* C 30 1.565 -22.977 5.083 316 H1* C 30 H1* C 30 1.571 -21.424 3.307 317 1H4 C 30 1H4 C 30 -3.916 -21.840 0.208 318 2H4 C 30 2H4 C 30 -3.125 -22.169 -1.322 319 H5 C 30 H5 C 30 -0.645 -22.728 -1.407 320 H6 C 30 H6 C 30 1.366 -22.814 -0.093 321 H3T C 30 HE C 30 3.671 -24.757 4.102 Start of MODEL 14 1 1H5* G 1 1H5* G 1 -11.067 -22.054 7.548 2 2H5* G 1 2H5* G 1 -10.840 -20.302 7.394 3 H4* G 1 H4* G 1 -8.983 -21.489 8.593 4 H3* G 1 H3* G 1 -8.227 -20.104 5.999 5 H2* G 1 H2* G 1 -5.938 -20.496 6.751 6 2HO* G 1 2HO* G 1 -6.473 -20.142 9.009 7 H1* G 1 H1* G 1 -6.430 -23.114 7.316 8 H8 G 1 H8 G 1 -8.561 -22.411 4.282 9 H1 G 1 H1 G 1 -2.292 -22.204 2.896 10 1H2 G 1 1H2 G 1 -1.088 -22.264 4.828 11 2H2 G 1 2H2 G 1 -1.879 -22.480 6.384 12 1H5* G 2 1H5* G 2 -5.914 -18.411 9.336 13 2H5* G 2 2H5* G 2 -5.445 -16.747 8.994 14 H4* G 2 H4* G 2 -3.598 -18.494 9.526 15 H3* G 2 H3* G 2 -3.358 -16.685 7.138 16 H2* G 2 H2* G 2 -1.249 -17.704 6.660 17 2HO* G 2 2HO* G 2 -0.898 -17.946 9.041 18 H1* G 2 H1* G 2 -2.161 -20.248 6.869 19 H8 G 2 H8 G 2 -5.271 -19.061 5.401 20 H1 G 2 H1 G 2 -0.426 -18.377 1.251 21 1H2 G 2 1H2 G 2 1.525 -18.415 2.340 22 2H2 G 2 2H2 G 2 1.599 -18.592 4.090 23 1H5* C 3 1H5* C 3 -2.594 -12.603 7.845 24 2H5* C 3 2H5* C 3 -3.400 -13.286 6.441 25 H4* C 3 H4* C 3 -0.707 -14.142 7.613 26 H3* C 3 H3* C 3 -1.681 -12.649 5.166 27 H2* C 3 H2* C 3 0.231 -13.417 3.956 28 2HO* C 3 2HO* C 3 1.468 -13.306 6.091 29 H1* C 3 H1* C 3 -0.099 -16.005 4.697 30 1H4 C 3 1H4 C 3 -3.872 -15.613 -0.427 31 2H4 C 3 2H4 C 3 -5.242 -15.333 0.617 32 H5 C 3 H5 C 3 -5.021 -15.006 3.063 33 H6 C 3 H6 C 3 -3.454 -14.900 4.884 34 1H5* A 4 1H5* A 4 2.309 -11.405 5.450 35 2H5* A 4 2H5* A 4 2.497 -9.664 5.151 36 H4* A 4 H4* A 4 3.716 -11.096 3.504 37 H3* A 4 H3* A 4 1.461 -9.368 2.445 38 H2* A 4 H2* A 4 2.055 -10.104 0.251 39 2HO* A 4 2HO* A 4 4.381 -10.008 0.899 40 H1* A 4 H1* A 4 2.358 -12.737 0.923 41 H8 A 4 H8 A 4 -0.619 -11.511 2.922 42 1H6 A 4 1H6 A 4 -3.959 -12.887 -2.103 43 2H6 A 4 2H6 A 4 -3.977 -12.507 -0.388 44 H2 A 4 H2 A 4 0.368 -12.806 -3.300 45 1H5* C 5 1H5* C 5 4.918 -8.134 0.036 46 2H5* C 5 2H5* C 5 4.733 -6.428 -0.419 47 H4* C 5 H4* C 5 4.708 -8.061 -2.352 48 H3* C 5 H3* C 5 2.204 -6.394 -1.924 49 H2* C 5 H2* C 5 1.418 -7.379 -3.977 50 2HO* C 5 2HO* C 5 3.728 -7.288 -4.786 51 H1* C 5 H1* C 5 2.221 -9.930 -3.341 52 1H4 C 5 1H4 C 5 -3.974 -9.398 -1.973 53 2H4 C 5 2H4 C 5 -3.637 -8.686 -0.409 54 H5 C 5 H5 C 5 -1.285 -8.197 0.347 55 H6 C 5 H6 C 5 1.009 -8.190 -0.349 56 1H5* U 6 1H5* U 6 2.900 -5.942 -6.041 57 2H5* U 6 2H5* U 6 2.518 -4.325 -6.629 58 H4* U 6 H4* U 6 1.183 -6.222 -7.653 59 H3* U 6 H3* U 6 -0.306 -3.989 -6.264 60 H2* U 6 H2* U 6 -2.363 -5.069 -6.836 61 2HO* U 6 2HO* U 6 -1.347 -5.665 -8.952 62 H1* U 6 H1* U 6 -1.553 -7.599 -6.237 63 H3 U 6 H3 U 6 -4.675 -6.331 -3.130 64 H5 U 6 H5 U 6 -0.918 -5.317 -1.521 65 H6 U 6 H6 U 6 0.058 -5.694 -3.659 66 1H5* C 7 1H5* C 7 -1.103 -3.247 -10.619 67 2H5* C 7 2H5* C 7 -1.280 -1.534 -11.044 68 H4* C 7 H4* C 7 -3.496 -2.718 -10.602 69 H3* C 7 H3* C 7 -2.696 -0.477 -8.715 70 H2* C 7 H2* C 7 -4.844 -0.705 -7.757 71 2HO* C 7 2HO* C 7 -6.044 -0.727 -9.675 72 H1* C 7 H1* C 7 -4.969 -3.514 -8.262 73 1H4 C 7 1H4 C 7 -4.674 -3.005 -2.006 74 2H4 C 7 2H4 C 7 -2.922 -2.856 -1.976 75 H5 C 7 H5 C 7 -1.614 -2.665 -4.198 76 H6 C 7 H6 C 7 -1.901 -2.523 -6.574 77 1H5* U 8 1H5* U 8 -6.577 0.162 -11.372 78 2H5* U 8 2H5* U 8 -6.702 1.915 -11.606 79 H4* U 8 H4* U 8 -8.870 0.874 -10.957 80 H3* U 8 H3* U 8 -7.647 2.836 -8.989 81 H2* U 8 H2* U 8 -9.729 2.668 -7.786 82 2HO* U 8 2HO* U 8 -10.885 2.592 -9.896 83 H1* U 8 H1* U 8 -9.935 -0.071 -8.061 84 H3 U 8 H3 U 8 -9.171 0.585 -3.602 85 H5 U 8 H5 U 8 -5.376 0.815 -5.416 86 H6 U 8 H6 U 8 -6.449 0.879 -7.568 87 1H5* G 9 1H5* G 9 -11.673 4.465 -9.889 88 2H5* G 9 2H5* G 9 -11.610 6.227 -9.695 89 H4* G 9 H4* G 9 -13.196 5.054 -8.128 90 H3* G 9 H3* G 9 -10.895 6.580 -6.877 91 H2* G 9 H2* G 9 -11.934 6.070 -4.739 92 2HO* G 9 2HO* G 9 -14.101 6.314 -5.756 93 H1* G 9 H1* G 9 -12.345 3.437 -5.322 94 H8 G 9 H8 G 9 -8.995 4.544 -6.852 95 H1 G 9 H1 G 9 -8.797 3.321 -0.546 96 1H2 G 9 1H2 G 9 -10.918 3.273 0.276 97 2H2 G 9 2H2 G 9 -12.288 3.288 -0.826 98 1H5* G 10 1H5* G 10 -14.709 7.878 -4.978 99 2H5* G 10 2H5* G 10 -14.579 9.564 -4.458 100 H4* G 10 H4* G 10 -15.108 7.854 -2.638 101 H3* G 10 H3* G 10 -12.687 9.649 -2.360 102 H2* G 10 H2* G 10 -12.395 8.686 -0.155 103 2HO* G 10 2HO* G 10 -14.830 8.642 0.025 104 H1* G 10 H1* G 10 -12.835 6.105 -0.952 105 H8 G 10 H8 G 10 -10.796 7.647 -3.743 106 H1 G 10 H1 G 10 -7.364 6.187 1.493 107 1H2 G 10 1H2 G 10 -8.765 5.989 3.276 108 2H2 G 10 2H2 G 10 -10.512 6.005 3.053 109 1H5* U 11 1H5* U 11 -14.889 9.985 1.457 110 2H5* U 11 2H5* U 11 -14.747 11.650 2.046 111 H4* U 11 H4* U 11 -13.802 9.917 3.634 112 H3* U 11 H3* U 11 -11.846 11.962 2.583 113 H2* U 11 H2* U 11 -10.338 10.967 4.177 114 2HO* U 11 2HO* U 11 -11.982 10.700 5.799 115 H1* U 11 H1* U 11 -10.951 8.392 3.525 116 H3 U 11 H3 U 11 -6.737 9.394 2.081 117 H5 U 11 H5 U 11 -9.304 10.773 -0.972 118 H6 U 11 H6 U 11 -11.160 10.400 0.490 119 1H5* A 12 1H5* A 12 -13.226 13.355 6.776 120 2H5* A 12 2H5* A 12 -12.619 14.965 7.190 121 H4* A 12 H4* A 12 -11.314 12.950 8.090 122 H3* A 12 H3* A 12 -9.891 15.079 6.509 123 H2* A 12 H2* A 12 -7.868 13.921 7.042 124 2HO* A 12 2HO* A 12 -8.402 13.496 9.231 125 H1* A 12 H1* A 12 -8.908 11.381 6.553 126 H8 A 12 H8 A 12 -10.240 13.755 3.988 127 1H6 A 12 1H6 A 12 -5.069 12.715 0.771 128 2H6 A 12 2H6 A 12 -6.716 13.327 0.742 129 H2 A 12 H2 A 12 -4.339 11.416 5.004 130 1H5* U 13 1H5* U 13 -6.733 16.449 10.921 131 2H5* U 13 2H5* U 13 -6.689 17.011 9.253 132 H4* U 13 H4* U 13 -5.275 14.644 10.490 133 H3* U 13 H3* U 13 -4.670 17.002 8.692 134 H2* U 13 H2* U 13 -2.940 15.859 7.577 135 2HO* U 13 2HO* U 13 -2.471 14.814 9.809 136 H1* U 13 H1* U 13 -4.300 13.503 7.276 137 H3 U 13 H3 U 13 -4.562 15.195 3.074 138 H5 U 13 H5 U 13 -7.870 16.727 5.195 139 H6 U 13 H6 U 13 -6.764 16.119 7.235 140 1H5* C 14 1H5* C 14 -1.026 16.513 9.577 141 2H5* C 14 2H5* C 14 -0.266 18.006 10.163 142 H4* C 14 H4* C 14 0.872 17.367 8.163 143 H3* C 14 H3* C 14 -1.096 19.555 7.466 144 H2* C 14 H2* C 14 0.086 19.572 5.309 145 2HO* C 14 2HO* C 14 1.872 18.232 4.966 146 H1* C 14 H1* C 14 -0.183 16.878 5.065 147 1H4 C 14 1H4 C 14 -5.555 19.258 2.577 148 2H4 C 14 2H4 C 14 -6.309 19.364 4.153 149 H5 C 14 H5 C 14 -5.058 18.803 6.249 150 H6 C 14 H6 C 14 -2.936 18.143 7.115 151 1H5* A 15 1H5* A 15 0.389 22.844 6.125 152 2H5* A 15 2H5* A 15 1.322 21.339 5.966 153 H4* A 15 H4* A 15 2.124 24.184 5.476 154 H3* A 15 H3* A 15 1.511 22.137 3.789 155 H2* A 15 H2* A 15 2.924 20.500 4.671 156 2HO* A 15 2HO* A 15 4.370 20.141 3.086 157 H1* A 15 H1* A 15 5.185 22.427 4.851 158 H8 A 15 H8 A 15 3.159 20.024 7.112 159 1H6 A 15 1H6 A 15 8.689 18.044 9.085 160 2H6 A 15 2H6 A 15 6.943 17.848 9.205 161 H2 A 15 H2 A 15 9.373 21.294 6.098 162 1H5* C 16 1H5* C 16 1.992 21.718 0.685 163 2H5* C 16 2H5* C 16 1.979 23.181 -0.272 164 H4* C 16 H4* C 16 0.596 21.432 -1.186 165 H3* C 16 H3* C 16 -0.204 24.070 -1.128 166 H2* C 16 H2* C 16 -1.346 23.957 0.968 167 2HO* C 16 2HO* C 16 -3.023 23.515 -1.229 168 H1* C 16 H1* C 16 -2.680 21.381 0.124 169 1H4 C 16 1H4 C 16 -4.012 22.066 6.430 170 2H4 C 16 2H4 C 16 -2.315 21.846 6.830 171 H5 C 16 H5 C 16 -0.614 21.486 5.055 172 H6 C 16 H6 C 16 -0.189 21.447 2.731 173 1H5* G 17 1H5* G 17 1.653 22.143 -4.853 174 2H5* G 17 2H5* G 17 0.825 20.570 -4.967 175 H4* G 17 H4* G 17 3.430 20.788 -4.625 176 H3* G 17 H3* G 17 1.714 18.746 -3.180 177 H2* G 17 H2* G 17 3.816 17.861 -2.463 178 2HO* G 17 2HO* G 17 4.533 18.275 -4.814 179 H1* G 17 H1* G 17 5.091 20.416 -2.433 180 H8 G 17 H8 G 17 6.104 19.707 -0.180 181 H1 G 17 H1 G 17 0.407 18.138 2.304 182 1H2 G 17 1H2 G 17 -1.149 18.066 0.689 183 2H2 G 17 2H2 G 17 -0.765 18.547 -0.953 184 1H5* G 18 1H5* G 18 3.874 16.238 -4.160 185 2H5* G 18 2H5* G 18 3.194 14.673 -4.567 186 H4* G 18 H4* G 18 4.345 15.185 -2.206 187 H3* G 18 H3* G 18 1.841 13.512 -2.511 188 H2* G 18 H2* G 18 1.995 13.167 -0.122 189 2HO* G 18 2HO* G 18 4.443 13.176 -0.395 190 H1* G 18 H1* G 18 2.526 15.782 0.486 191 H8 G 18 H8 G 18 -0.028 15.553 -2.359 192 H1 G 18 H1 G 18 -2.474 14.620 3.526 193 1H2 G 18 1H2 G 18 -0.793 14.276 4.988 194 2H2 G 18 2H2 G 18 0.886 14.414 4.496 195 1H5* U 19 1H5* U 19 4.642 11.438 0.183 196 2H5* U 19 2H5* U 19 4.427 9.693 0.084 197 H4* U 19 H4* U 19 4.045 10.794 2.349 198 H3* U 19 H3* U 19 1.857 9.039 1.183 199 H2* U 19 H2* U 19 0.776 9.313 3.332 200 2HO* U 19 2HO* U 19 2.834 9.218 4.473 201 H1* U 19 H1* U 19 1.153 11.996 3.461 202 H3 U 19 H3 U 19 -3.296 11.662 2.412 203 H5 U 19 H5 U 19 -1.252 11.432 -1.256 204 H6 U 19 H6 U 19 0.789 11.159 -0.060 205 1H5* A 20 1H5* A 20 3.228 7.197 4.908 206 2H5* A 20 2H5* A 20 2.970 5.442 4.903 207 H4* A 20 H4* A 20 1.677 6.658 6.644 208 H3* A 20 H3* A 20 -0.056 5.224 4.563 209 H2* A 20 H2* A 20 -1.873 5.869 5.912 210 2HO* A 20 2HO* A 20 -0.378 5.729 7.900 211 H1* A 20 H1* A 20 -1.237 8.337 6.171 212 H8 A 20 H8 A 20 0.087 7.345 2.683 213 1H6 A 20 1H6 A 20 -5.385 9.081 0.503 214 2H6 A 20 2H6 A 20 -3.756 8.553 0.165 215 H2 A 20 H2 A 20 -5.700 8.872 5.024 216 1H5* C 21 1H5* C 21 -1.798 4.554 8.067 217 2H5* C 21 2H5* C 21 -2.284 2.948 8.329 218 H4* C 21 H4* C 21 -4.172 4.478 8.494 219 H3* C 21 H3* C 21 -4.384 2.646 6.065 220 H2* C 21 H2* C 21 -6.539 3.637 5.734 221 2HO* C 21 2HO* C 21 -6.824 3.739 8.136 222 H1* C 21 H1* C 21 -5.654 6.202 6.068 223 1H4 C 21 1H4 C 21 -5.213 5.682 -0.140 224 2H4 C 21 2H4 C 21 -3.543 5.151 -0.046 225 H5 C 21 H5 C 21 -2.482 4.553 2.171 226 H6 C 21 H6 C 21 -2.840 4.504 4.533 227 1H5* C 22 1H5* C 22 -8.024 2.122 8.300 228 2H5* C 22 2H5* C 22 -8.629 0.458 8.157 229 H4* C 22 H4* C 22 -10.161 2.229 7.192 230 H3* C 22 H3* C 22 -9.060 0.107 5.318 231 H2* C 22 H2* C 22 -10.434 1.067 3.622 232 2HO* C 22 2HO* C 22 -12.104 1.446 5.395 233 H1* C 22 H1* C 22 -9.908 3.691 4.307 234 1H4 C 22 1H4 C 22 -6.275 2.668 -0.727 235 2H4 C 22 2H4 C 22 -4.972 2.001 0.231 236 H5 C 22 H5 C 22 -5.204 1.714 2.748 237 H6 C 22 H6 C 22 -6.729 1.882 4.582 238 1H5* U 23 1H5* U 23 -13.165 0.089 4.311 239 2H5* U 23 2H5* U 23 -13.678 -1.576 4.000 240 H4* U 23 H4* U 23 -13.905 -0.083 2.022 241 H3* U 23 H3* U 23 -11.916 -2.358 1.760 242 H2* U 23 H2* U 23 -11.766 -1.728 -0.583 243 2HO* U 23 2HO* U 23 -14.108 -1.244 -0.616 244 H1* U 23 H1* U 23 -11.650 0.958 -0.066 245 H3 U 23 H3 U 23 -7.480 -0.005 -1.525 246 H5 U 23 H5 U 23 -7.530 -1.411 2.449 247 H6 U 23 H6 U 23 -9.891 -0.961 2.525 248 1H5* U 24 1H5* U 24 -14.917 -2.522 -1.520 249 2H5* U 24 2H5* U 24 -15.150 -4.200 -2.029 250 H4* U 24 H4* U 24 -14.414 -2.619 -3.860 251 H3* U 24 H3* U 24 -12.610 -4.965 -3.188 252 H2* U 24 H2* U 24 -11.392 -4.350 -5.194 253 2HO* U 24 2HO* U 24 -13.537 -3.782 -6.202 254 H1* U 24 H1* U 24 -11.465 -1.637 -4.631 255 H3 U 24 H3 U 24 -7.089 -2.754 -4.162 256 H5 U 24 H5 U 24 -8.880 -4.218 -0.669 257 H6 U 24 H6 U 24 -11.063 -3.739 -1.621 258 1H5* U 25 1H5* U 25 -13.475 -5.288 -7.409 259 2H5* U 25 2H5* U 25 -13.607 -6.998 -7.849 260 H4* U 25 H4* U 25 -11.855 -5.794 -9.128 261 H3* U 25 H3* U 25 -10.821 -7.990 -7.284 262 H2* U 25 H2* U 25 -8.726 -7.663 -8.370 263 2HO* U 25 2HO* U 25 -9.888 -7.323 -10.453 264 H1* U 25 H1* U 25 -8.859 -4.916 -8.276 265 H3 U 25 H3 U 25 -5.645 -6.036 -5.224 266 H5 U 25 H5 U 25 -9.258 -6.678 -3.210 267 H6 U 25 H6 U 25 -10.439 -6.346 -5.290 268 1H5* G 26 1H5* G 26 -9.781 -9.269 -11.227 269 2H5* G 26 2H5* G 26 -9.772 -11.041 -11.340 270 H4* G 26 H4* G 26 -7.540 -9.942 -11.732 271 H3* G 26 H3* G 26 -7.760 -11.810 -9.350 272 H2* G 26 H2* G 26 -5.357 -11.533 -9.141 273 2HO* G 26 2HO* G 26 -5.187 -11.504 -11.542 274 H1* G 26 H1* G 26 -5.451 -8.802 -9.503 275 H8 G 26 H8 G 26 -8.438 -9.562 -7.325 276 H1 G 26 H1 G 26 -2.798 -9.981 -4.246 277 1H2 G 26 1H2 G 26 -1.104 -10.078 -5.800 278 2H2 G 26 2H2 G 26 -1.464 -9.915 -7.511 279 1H5* U 27 1H5* U 27 -4.417 -13.156 -11.989 280 2H5* U 27 2H5* U 27 -4.251 -14.915 -11.889 281 H4* U 27 H4* U 27 -2.182 -13.596 -11.317 282 H3* U 27 H3* U 27 -3.274 -15.402 -9.125 283 H2* U 27 H2* U 27 -1.256 -14.903 -7.984 284 2HO* U 27 2HO* U 27 -0.005 -14.884 -10.011 285 H1* U 27 H1* U 27 -1.416 -12.222 -8.413 286 H3 U 27 H3 U 27 -2.412 -13.129 -4.006 287 H5 U 27 H5 U 27 -6.045 -13.527 -6.098 288 H6 U 27 H6 U 27 -4.818 -13.417 -8.155 289 1H5* G 28 1H5* G 28 0.877 -16.604 -10.014 290 2H5* G 28 2H5* G 28 1.192 -18.267 -9.497 291 H4* G 28 H4* G 28 2.510 -16.361 -8.383 292 H3* G 28 H3* G 28 1.128 -18.399 -6.657 293 H2* G 28 H2* G 28 2.152 -17.224 -4.779 294 2HO* G 28 2HO* G 28 4.063 -16.812 -6.289 295 H1* G 28 H1* G 28 1.400 -14.743 -5.625 296 H8 G 28 H8 G 28 -1.537 -16.648 -6.803 297 H1 G 28 H1 G 28 -1.533 -15.993 -0.421 298 1H2 G 28 1H2 G 28 0.533 -15.505 0.324 299 2H2 G 28 2H2 G 28 1.866 -15.275 -0.781 300 1H5* U 29 1H5* U 29 5.048 -18.270 -5.282 301 2H5* U 29 2H5* U 29 5.718 -19.873 -4.930 302 H4* U 29 H4* U 29 5.662 -18.433 -2.936 303 H3* U 29 H3* U 29 3.773 -20.817 -2.818 304 H2* U 29 H2* U 29 3.359 -20.220 -0.556 305 2HO* U 29 2HO* U 29 5.716 -19.501 -0.444 306 H1* U 29 H1* U 29 3.011 -17.562 -1.079 307 H3 U 29 H3 U 29 -1.243 -19.190 -0.380 308 H5 U 29 H5 U 29 -0.464 -19.607 -4.488 309 H6 U 29 H6 U 29 1.804 -19.130 -4.084 310 1H5* C 30 1H5* C 30 6.257 -21.080 0.514 311 2H5* C 30 2H5* C 30 6.721 -22.754 0.864 312 H4* C 30 H4* C 30 5.519 -21.639 2.736 313 H3* C 30 H3* C 30 4.115 -23.994 1.409 314 H2* C 30 H2* C 30 2.449 -23.841 3.092 315 2HO* C 30 2HO* C 30 2.786 -22.587 4.976 316 H1* C 30 H1* C 30 2.529 -21.023 3.249 317 1H4 C 30 1H4 C 30 -2.864 -22.039 0.218 318 2H4 C 30 2H4 C 30 -2.063 -22.099 -1.339 319 H5 C 30 H5 C 30 0.474 -22.323 -1.496 320 H6 C 30 H6 C 30 2.499 -22.213 -0.209 321 H3T C 30 HE C 30 5.195 -23.916 3.980 Start of MODEL 15 1 1H5* G 1 1H5* G 1 -11.780 -21.977 7.046 2 2H5* G 1 2H5* G 1 -11.395 -20.246 7.003 3 H4* G 1 H4* G 1 -9.654 -21.668 8.120 4 H3* G 1 H3* G 1 -8.772 -20.200 5.614 5 H2* G 1 H2* G 1 -6.529 -20.839 6.333 6 2HO* G 1 2HO* G 1 -7.047 -20.575 8.612 7 H1* G 1 H1* G 1 -7.257 -23.431 6.743 8 H8 G 1 H8 G 1 -9.290 -22.335 3.750 9 H1 G 1 H1 G 1 -3.019 -22.653 2.403 10 1H2 G 1 1H2 G 1 -1.845 -22.950 4.331 11 2H2 G 1 2H2 G 1 -2.667 -23.193 5.868 12 1H5* G 2 1H5* G 2 -6.305 -18.922 9.015 13 2H5* G 2 2H5* G 2 -5.695 -17.288 8.766 14 H4* G 2 H4* G 2 -4.003 -19.215 9.175 15 H3* G 2 H3* G 2 -3.627 -17.300 6.889 16 H2* G 2 H2* G 2 -1.616 -18.455 6.330 17 2HO* G 2 2HO* G 2 -1.257 -18.865 8.686 18 H1* G 2 H1* G 2 -2.736 -20.927 6.410 19 H8 G 2 H8 G 2 -5.744 -19.402 5.040 20 H1 G 2 H1 G 2 -0.871 -18.931 0.892 21 1H2 G 2 1H2 G 2 1.069 -19.233 1.953 22 2H2 G 2 2H2 G 2 1.136 -19.515 3.691 23 1H5* C 3 1H5* C 3 -2.671 -13.325 7.818 24 2H5* C 3 2H5* C 3 -3.525 -13.912 6.398 25 H4* C 3 H4* C 3 -0.852 -14.930 7.483 26 H3* C 3 H3* C 3 -1.788 -13.262 5.133 27 H2* C 3 H2* C 3 0.090 -14.029 3.874 28 2HO* C 3 2HO* C 3 1.350 -14.056 5.985 29 H1* C 3 H1* C 3 -0.314 -16.645 4.493 30 1H4 C 3 1H4 C 3 -4.043 -15.897 -0.632 31 2H4 C 3 2H4 C 3 -5.406 -15.619 0.424 32 H5 C 3 H5 C 3 -5.188 -15.401 2.871 33 H6 C 3 H6 C 3 -3.636 -15.425 4.704 34 1H5* A 4 1H5* A 4 2.234 -12.056 5.578 35 2H5* A 4 2H5* A 4 2.438 -10.308 5.340 36 H4* A 4 H4* A 4 3.673 -11.707 3.672 37 H3* A 4 H3* A 4 1.465 -9.913 2.623 38 H2* A 4 H2* A 4 2.107 -10.585 0.420 39 2HO* A 4 2HO* A 4 4.418 -10.542 1.145 40 H1* A 4 H1* A 4 2.367 -13.241 1.011 41 H8 A 4 H8 A 4 -0.645 -12.004 2.964 42 1H6 A 4 1H6 A 4 -3.895 -13.145 -2.173 43 2H6 A 4 2H6 A 4 -3.942 -12.790 -0.454 44 H2 A 4 H2 A 4 0.467 -13.223 -3.252 45 1H5* C 5 1H5* C 5 5.017 -8.688 0.326 46 2H5* C 5 2H5* C 5 4.875 -6.971 -0.105 47 H4* C 5 H4* C 5 4.881 -8.577 -2.065 48 H3* C 5 H3* C 5 2.414 -6.850 -1.688 49 H2* C 5 H2* C 5 1.649 -7.793 -3.771 50 2HO* C 5 2HO* C 5 3.991 -7.767 -4.511 51 H1* C 5 H1* C 5 2.359 -10.372 -3.151 52 1H4 C 5 1H4 C 5 -3.852 -9.709 -1.868 53 2H4 C 5 2H4 C 5 -3.510 -9.050 -0.284 54 H5 C 5 H5 C 5 -1.169 -8.611 0.502 55 H6 C 5 H6 C 5 1.133 -8.650 -0.154 56 1H5* U 6 1H5* U 6 3.155 -6.405 -5.779 57 2H5* U 6 2H5* U 6 2.851 -4.770 -6.365 58 H4* U 6 H4* U 6 1.426 -6.585 -7.403 59 H3* U 6 H3* U 6 0.038 -4.312 -5.975 60 H2* U 6 H2* U 6 -2.065 -5.290 -6.555 61 2HO* U 6 2HO* U 6 -1.093 -5.905 -8.682 62 H1* U 6 H1* U 6 -1.371 -7.853 -5.983 63 H3 U 6 H3 U 6 -4.399 -6.514 -2.830 64 H5 U 6 H5 U 6 -0.591 -5.672 -1.246 65 H6 U 6 H6 U 6 0.347 -6.056 -3.402 66 1H5* C 7 1H5* C 7 -0.714 -3.509 -10.334 67 2H5* C 7 2H5* C 7 -0.854 -1.791 -10.750 68 H4* C 7 H4* C 7 -3.092 -2.934 -10.298 69 H3* C 7 H3* C 7 -2.244 -0.697 -8.425 70 H2* C 7 H2* C 7 -4.408 -0.871 -7.482 71 2HO* C 7 2HO* C 7 -5.618 -0.905 -9.384 72 H1* C 7 H1* C 7 -4.581 -3.677 -7.950 73 1H4 C 7 1H4 C 7 -4.277 -3.203 -1.701 74 2H4 C 7 2H4 C 7 -2.520 -3.146 -1.674 75 H5 C 7 H5 C 7 -1.212 -2.962 -3.891 76 H6 C 7 H6 C 7 -1.491 -2.787 -6.265 77 1H5* U 8 1H5* U 8 -6.086 -0.026 -11.092 78 2H5* U 8 2H5* U 8 -6.233 1.726 -11.326 79 H4* U 8 H4* U 8 -8.385 0.640 -10.668 80 H3* U 8 H3* U 8 -7.199 2.650 -8.728 81 H2* U 8 H2* U 8 -9.277 2.451 -7.522 82 2HO* U 8 2HO* U 8 -10.438 2.304 -9.629 83 H1* U 8 H1* U 8 -9.407 -0.293 -7.736 84 H3 U 8 H3 U 8 -8.611 0.533 -3.300 85 H5 U 8 H5 U 8 -4.840 0.731 -5.164 86 H6 U 8 H6 U 8 -5.938 0.721 -7.302 87 1H5* G 9 1H5* G 9 -11.261 4.137 -9.616 88 2H5* G 9 2H5* G 9 -11.262 5.903 -9.450 89 H4* G 9 H4* G 9 -12.795 4.700 -7.854 90 H3* G 9 H3* G 9 -10.543 6.330 -6.648 91 H2* G 9 H2* G 9 -11.555 5.826 -4.495 92 2HO* G 9 2HO* G 9 -13.733 5.969 -5.502 93 H1* G 9 H1* G 9 -11.868 3.169 -5.022 94 H8 G 9 H8 G 9 -8.566 4.318 -6.606 95 H1 G 9 H1 G 9 -8.288 3.341 -0.259 96 1H2 G 9 1H2 G 9 -10.403 3.270 0.580 97 2H2 G 9 2H2 G 9 -11.782 3.225 -0.510 98 1H5* G 10 1H5* G 10 -14.411 7.533 -4.791 99 2H5* G 10 2H5* G 10 -14.346 9.230 -4.294 100 H4* G 10 H4* G 10 -14.829 7.525 -2.457 101 H3* G 10 H3* G 10 -12.485 9.417 -2.178 102 H2* G 10 H2* G 10 -12.180 8.497 0.043 103 2HO* G 10 2HO* G 10 -14.612 8.354 0.201 104 H1* G 10 H1* G 10 -12.498 5.888 -0.725 105 H8 G 10 H8 G 10 -10.523 7.460 -3.537 106 H1 G 10 H1 G 10 -7.023 6.276 1.720 107 1H2 G 10 1H2 G 10 -8.407 6.061 3.514 108 2H2 G 10 2H2 G 10 -10.154 6.013 3.303 109 1H5* U 11 1H5* U 11 -14.735 9.718 1.608 110 2H5* U 11 2H5* U 11 -14.683 11.402 2.163 111 H4* U 11 H4* U 11 -13.645 9.762 3.799 112 H3* U 11 H3* U 11 -11.803 11.869 2.675 113 H2* U 11 H2* U 11 -10.253 11.000 4.307 114 2HO* U 11 2HO* U 11 -11.880 10.692 5.936 115 H1* U 11 H1* U 11 -10.730 8.383 3.725 116 H3 U 11 H3 U 11 -6.564 9.529 2.261 117 H5 U 11 H5 U 11 -9.176 10.684 -0.844 118 H6 U 11 H6 U 11 -11.024 10.287 0.632 119 1H5* A 12 1H5* A 12 -13.156 13.264 6.846 120 2H5* A 12 2H5* A 12 -12.613 14.902 7.242 121 H4* A 12 H4* A 12 -11.234 12.951 8.178 122 H3* A 12 H3* A 12 -9.886 15.101 6.560 123 H2* A 12 H2* A 12 -7.821 14.016 7.121 124 2HO* A 12 2HO* A 12 -8.373 13.617 9.320 125 H1* A 12 H1* A 12 -8.788 11.435 6.669 126 H8 A 12 H8 A 12 -10.171 13.727 4.060 127 1H6 A 12 1H6 A 12 -4.953 12.802 0.883 128 2H6 A 12 2H6 A 12 -6.619 13.359 0.840 129 H2 A 12 H2 A 12 -4.200 11.605 5.148 130 1H5* U 13 1H5* U 13 -6.764 16.753 10.858 131 2H5* U 13 2H5* U 13 -6.768 17.240 9.167 132 H4* U 13 H4* U 13 -5.230 14.993 10.482 133 H3* U 13 H3* U 13 -4.759 17.319 8.603 134 H2* U 13 H2* U 13 -3.001 16.233 7.488 135 2HO* U 13 2HO* U 13 -2.434 15.291 9.744 136 H1* U 13 H1* U 13 -4.226 13.792 7.298 137 H3 U 13 H3 U 13 -4.580 15.386 3.051 138 H5 U 13 H5 U 13 -7.968 16.777 5.146 139 H6 U 13 H6 U 13 -6.836 16.252 7.194 140 1H5* C 14 1H5* C 14 -1.100 17.067 9.421 141 2H5* C 14 2H5* C 14 -0.421 18.615 9.967 142 H4* C 14 H4* C 14 0.715 18.043 7.952 143 H3* C 14 H3* C 14 -1.468 20.008 7.238 144 H2* C 14 H2* C 14 -0.308 20.104 5.072 145 2HO* C 14 2HO* C 14 1.584 18.919 4.727 146 H1* C 14 H1* C 14 -0.376 17.390 4.893 147 1H4 C 14 1H4 C 14 -5.936 19.439 2.507 148 2H4 C 14 2H4 C 14 -6.662 19.525 4.098 149 H5 C 14 H5 C 14 -5.341 19.014 6.172 150 H6 C 14 H6 C 14 -3.180 18.460 6.992 151 1H5* A 15 1H5* A 15 -0.446 23.305 5.648 152 2H5* A 15 2H5* A 15 0.720 21.968 5.537 153 H4* A 15 H4* A 15 1.046 24.896 4.962 154 H3* A 15 H3* A 15 0.716 22.786 3.285 155 H2* A 15 H2* A 15 2.362 21.363 4.211 156 2HO* A 15 2HO* A 15 3.882 21.185 2.639 157 H1* A 15 H1* A 15 4.312 23.620 4.247 158 H8 A 15 H8 A 15 2.823 20.895 6.560 159 1H6 A 15 1H6 A 15 8.608 20.266 8.690 160 2H6 A 15 2H6 A 15 6.954 19.664 8.766 161 H2 A 15 H2 A 15 8.597 23.565 5.681 162 1H5* C 16 1H5* C 16 1.068 22.354 0.480 163 2H5* C 16 2H5* C 16 1.203 23.740 -0.574 164 H4* C 16 H4* C 16 -0.085 22.069 -1.632 165 H3* C 16 H3* C 16 -1.131 24.578 -1.648 166 H2* C 16 H2* C 16 -2.279 24.409 0.426 167 2HO* C 16 2HO* C 16 -4.553 23.867 -0.127 168 H1* C 16 H1* C 16 -3.419 21.744 -0.326 169 1H4 C 16 1H4 C 16 -4.600 22.562 5.995 170 2H4 C 16 2H4 C 16 -2.914 22.250 6.367 171 H5 C 16 H5 C 16 -1.265 21.821 4.548 172 H6 C 16 H6 C 16 -0.884 21.794 2.213 173 1H5* G 17 1H5* G 17 -0.365 20.798 -5.000 174 2H5* G 17 2H5* G 17 -0.412 20.772 -3.239 175 H4* G 17 H4* G 17 2.067 21.270 -4.968 176 H3* G 17 H3* G 17 1.145 18.936 -3.251 177 H2* G 17 H2* G 17 3.381 18.515 -2.710 178 2HO* G 17 2HO* G 17 3.767 18.952 -5.168 179 H1* G 17 H1* G 17 4.230 21.227 -2.906 180 H8 G 17 H8 G 17 5.506 20.647 -0.682 181 H1 G 17 H1 G 17 0.125 18.659 2.180 182 1H2 G 17 1H2 G 17 -1.524 18.488 0.727 183 2H2 G 17 2H2 G 17 -1.311 18.975 -0.945 184 1H5* G 18 1H5* G 18 3.572 16.745 -4.290 185 2H5* G 18 2H5* G 18 3.091 15.061 -4.533 186 H4* G 18 H4* G 18 4.283 15.832 -2.297 187 H3* G 18 H3* G 18 1.890 13.989 -2.379 188 H2* G 18 H2* G 18 2.093 13.821 0.012 189 2HO* G 18 2HO* G 18 4.539 13.946 -0.310 190 H1* G 18 H1* G 18 2.483 16.495 0.448 191 H8 G 18 H8 G 18 -0.076 15.989 -2.336 192 H1 G 18 H1 G 18 -2.432 14.915 3.550 193 1H2 G 18 1H2 G 18 -0.725 14.708 5.012 194 2H2 G 18 2H2 G 18 0.936 14.995 4.523 195 1H5* U 19 1H5* U 19 4.780 12.213 0.365 196 2H5* U 19 2H5* U 19 4.711 10.453 0.282 197 H4* U 19 H4* U 19 4.214 11.490 2.535 198 H3* U 19 H3* U 19 2.098 9.676 1.323 199 H2* U 19 H2* U 19 0.997 9.885 3.465 200 2HO* U 19 2HO* U 19 2.985 9.839 4.673 201 H1* U 19 H1* U 19 1.265 12.578 3.608 202 H3 U 19 H3 U 19 -3.154 11.868 2.511 203 H5 U 19 H5 U 19 -1.058 11.918 -1.139 204 H6 U 19 H6 U 19 0.984 11.838 0.074 205 1H5* A 20 1H5* A 20 3.539 7.851 5.037 206 2H5* A 20 2H5* A 20 3.329 6.090 5.034 207 H4* A 20 H4* A 20 2.030 7.291 6.794 208 H3* A 20 H3* A 20 0.339 5.743 4.764 209 H2* A 20 H2* A 20 -1.500 6.331 6.117 210 2HO* A 20 2HO* A 20 0.038 6.297 8.087 211 H1* A 20 H1* A 20 -0.973 8.825 6.327 212 H8 A 20 H8 A 20 0.389 7.923 2.831 213 1H6 A 20 1H6 A 20 -5.211 9.170 0.674 214 2H6 A 20 2H6 A 20 -3.542 8.782 0.339 215 H2 A 20 H2 A 20 -5.494 8.996 5.198 216 1H5* C 21 1H5* C 21 -1.356 5.057 8.280 217 2H5* C 21 2H5* C 21 -1.728 3.429 8.587 218 H4* C 21 H4* C 21 -3.720 4.825 8.723 219 H3* C 21 H3* C 21 -3.825 2.951 6.316 220 H2* C 21 H2* C 21 -6.035 3.806 5.990 221 2HO* C 21 2HO* C 21 -6.352 3.913 8.373 222 H1* C 21 H1* C 21 -5.300 6.421 6.282 223 1H4 C 21 1H4 C 21 -4.876 5.773 0.076 224 2H4 C 21 2H4 C 21 -3.176 5.346 0.170 225 H5 C 21 H5 C 21 -2.064 4.884 2.391 226 H6 C 21 H6 C 21 -2.400 4.876 4.758 227 1H5* C 22 1H5* C 22 -7.414 2.242 8.592 228 2H5* C 22 2H5* C 22 -7.954 0.557 8.443 229 H4* C 22 H4* C 22 -9.559 2.296 7.515 230 H3* C 22 H3* C 22 -8.450 0.192 5.627 231 H2* C 22 H2* C 22 -9.871 1.124 3.948 232 2HO* C 22 2HO* C 22 -11.508 1.500 5.763 233 H1* C 22 H1* C 22 -9.366 3.755 4.598 234 1H4 C 22 1H4 C 22 -5.765 2.693 -0.457 235 2H4 C 22 2H4 C 22 -4.435 2.088 0.505 236 H5 C 22 H5 C 22 -4.636 1.858 3.028 237 H6 C 22 H6 C 22 -6.142 2.038 4.873 238 1H5* U 23 1H5* U 23 -12.559 0.134 4.668 239 2H5* U 23 2H5* U 23 -13.079 -1.530 4.370 240 H4* U 23 H4* U 23 -13.333 -0.030 2.391 241 H3* U 23 H3* U 23 -11.386 -2.337 2.111 242 H2* U 23 H2* U 23 -11.243 -1.717 -0.233 243 2HO* U 23 2HO* U 23 -13.553 -1.214 -0.314 244 H1* U 23 H1* U 23 -11.097 0.968 0.261 245 H3 U 23 H3 U 23 -6.954 -0.027 -1.258 246 H5 U 23 H5 U 23 -6.940 -1.357 2.741 247 H6 U 23 H6 U 23 -9.302 -0.911 2.847 248 1H5* U 24 1H5* U 24 -14.484 -2.431 -1.126 249 2H5* U 24 2H5* U 24 -14.749 -4.101 -1.646 250 H4* U 24 H4* U 24 -14.004 -2.501 -3.479 251 H3* U 24 H3* U 24 -12.248 -4.887 -2.848 252 H2* U 24 H2* U 24 -11.034 -4.294 -4.845 253 2HO* U 24 2HO* U 24 -11.734 -2.733 -6.254 254 H1* U 24 H1* U 24 -11.019 -1.590 -4.231 255 H3 U 24 H3 U 24 -6.689 -2.873 -3.856 256 H5 U 24 H5 U 24 -8.472 -4.260 -0.325 257 H6 U 24 H6 U 24 -10.654 -3.724 -1.250 258 1H5* U 25 1H5* U 25 -13.162 -5.027 -6.993 259 2H5* U 25 2H5* U 25 -13.362 -6.692 -7.562 260 H4* U 25 H4* U 25 -11.605 -5.474 -8.807 261 H3* U 25 H3* U 25 -10.591 -7.785 -7.104 262 H2* U 25 H2* U 25 -8.496 -7.451 -8.195 263 2HO* U 25 2HO* U 25 -9.663 -6.959 -10.247 264 H1* U 25 H1* U 25 -8.551 -4.717 -7.940 265 H3 U 25 H3 U 25 -5.360 -6.071 -4.968 266 H5 U 25 H5 U 25 -8.978 -6.721 -2.972 267 H6 U 25 H6 U 25 -10.156 -6.280 -5.030 268 1H5* G 26 1H5* G 26 -9.557 -8.860 -11.106 269 2H5* G 26 2H5* G 26 -9.585 -10.622 -11.318 270 H4* G 26 H4* G 26 -7.331 -9.545 -11.649 271 H3* G 26 H3* G 26 -7.592 -11.557 -9.392 272 H2* G 26 H2* G 26 -5.184 -11.352 -9.162 273 2HO* G 26 2HO* G 26 -5.019 -11.146 -11.565 274 H1* G 26 H1* G 26 -5.218 -8.603 -9.317 275 H8 G 26 H8 G 26 -8.256 -9.402 -7.249 276 H1 G 26 H1 G 26 -2.699 -10.247 -4.115 277 1H2 G 26 1H2 G 26 -0.983 -10.350 -5.649 278 2H2 G 26 2H2 G 26 -1.311 -10.086 -7.354 279 1H5* U 27 1H5* U 27 -4.240 -12.799 -12.026 280 2H5* U 27 2H5* U 27 -4.155 -14.566 -12.073 281 H4* U 27 H4* U 27 -2.038 -13.418 -11.354 282 H3* U 27 H3* U 27 -3.291 -15.297 -9.313 283 H2* U 27 H2* U 27 -1.267 -15.016 -8.110 284 2HO* U 27 2HO* U 27 0.069 -14.953 -10.048 285 H1* U 27 H1* U 27 -1.256 -12.304 -8.361 286 H3 U 27 H3 U 27 -2.357 -13.397 -4.035 287 H5 U 27 H5 U 27 -5.983 -13.488 -6.179 288 H6 U 27 H6 U 27 -4.729 -13.315 -8.218 289 1H5* G 28 1H5* G 28 0.762 -16.749 -10.242 290 2H5* G 28 2H5* G 28 0.945 -18.464 -9.835 291 H4* G 28 H4* G 28 2.389 -16.759 -8.575 292 H3* G 28 H3* G 28 0.785 -18.748 -6.991 293 H2* G 28 H2* G 28 1.901 -17.779 -5.041 294 2HO* G 28 2HO* G 28 3.860 -17.463 -6.515 295 H1* G 28 H1* G 28 1.388 -15.198 -5.759 296 H8 G 28 H8 G 28 -1.685 -16.821 -7.042 297 H1 G 28 H1 G 28 -1.697 -16.393 -0.640 298 1H2 G 28 1H2 G 28 0.389 -16.069 0.136 299 2H2 G 28 2H2 G 28 1.748 -15.908 -0.949 300 1H5* U 29 1H5* U 29 4.673 -19.053 -5.577 301 2H5* U 29 2H5* U 29 5.188 -20.727 -5.295 302 H4* U 29 H4* U 29 5.239 -19.387 -3.231 303 H3* U 29 H3* U 29 3.132 -21.584 -3.262 304 H2* U 29 H2* U 29 2.737 -21.076 -0.980 305 2HO* U 29 2HO* U 29 5.144 -20.605 -0.780 306 H1* U 29 H1* U 29 2.663 -18.367 -1.359 307 H3 U 29 H3 U 29 -1.743 -19.589 -0.777 308 H5 U 29 H5 U 29 -0.951 -19.899 -4.896 309 H6 U 29 H6 U 29 1.344 -19.661 -4.449 310 1H5* C 30 1H5* C 30 5.520 -22.312 0.035 311 2H5* C 30 2H5* C 30 5.830 -24.041 0.259 312 H4* C 30 H4* C 30 4.734 -23.019 2.211 313 H3* C 30 H3* C 30 3.008 -24.993 0.658 314 H2* C 30 H2* C 30 1.433 -24.830 2.452 315 2HO* C 30 2HO* C 30 3.489 -24.693 3.915 316 H1* C 30 H1* C 30 1.829 -22.082 2.817 317 1H4 C 30 1H4 C 30 -3.607 -22.300 -0.341 318 2H4 C 30 2H4 C 30 -2.807 -22.386 -1.898 319 H5 C 30 H5 C 30 -0.299 -22.859 -2.045 320 H6 C 30 H6 C 30 1.711 -23.023 -0.736 321 H3T C 30 HE C 30 3.838 -26.450 2.077 Start of MODEL 16 1 1H5* G 1 1H5* G 1 -11.730 -20.908 7.499 2 2H5* G 1 2H5* G 1 -11.340 -19.178 7.490 3 H4* G 1 H4* G 1 -9.707 -20.442 8.805 4 H3* G 1 H3* G 1 -8.606 -19.306 6.219 5 H2* G 1 H2* G 1 -6.432 -19.945 7.095 6 2HO* G 1 2HO* G 1 -7.104 -19.434 9.323 7 H1* G 1 H1* G 1 -7.238 -22.459 7.696 8 H8 G 1 H8 G 1 -9.323 -21.713 4.677 9 H1 G 1 H1 G 1 -3.083 -22.035 3.181 10 1H2 G 1 1H2 G 1 -1.852 -22.137 5.092 11 2H2 G 1 2H2 G 1 -2.628 -22.239 6.668 12 1H5* G 2 1H5* G 2 -6.223 -17.812 9.496 13 2H5* G 2 2H5* G 2 -5.604 -16.198 9.156 14 H4* G 2 H4* G 2 -3.913 -18.076 9.702 15 H3* G 2 H3* G 2 -3.554 -16.354 7.269 16 H2* G 2 H2* G 2 -1.541 -17.540 6.783 17 2HO* G 2 2HO* G 2 -1.165 -17.758 9.162 18 H1* G 2 H1* G 2 -2.648 -20.001 7.065 19 H8 G 2 H8 G 2 -5.686 -18.630 5.625 20 H1 G 2 H1 G 2 -0.892 -18.424 1.361 21 1H2 G 2 1H2 G 2 1.076 -18.588 2.418 22 2H2 G 2 2H2 G 2 1.170 -18.708 4.174 23 1H5* C 3 1H5* C 3 -2.661 -12.332 7.846 24 2H5* C 3 2H5* C 3 -3.545 -13.051 6.510 25 H4* C 3 H4* C 3 -0.844 -13.970 7.616 26 H3* C 3 H3* C 3 -1.818 -12.490 5.158 27 H2* C 3 H2* C 3 0.049 -13.351 3.942 28 2HO* C 3 2HO* C 3 1.321 -13.234 6.057 29 H1* C 3 H1* C 3 -0.358 -15.908 4.760 30 1H4 C 3 1H4 C 3 -4.129 -15.452 -0.379 31 2H4 C 3 2H4 C 3 -5.482 -15.088 0.660 32 H5 C 3 H5 C 3 -5.244 -14.738 3.102 33 H6 C 3 H6 C 3 -3.674 -14.675 4.920 34 1H5* A 4 1H5* A 4 2.217 -11.372 5.407 35 2H5* A 4 2H5* A 4 2.462 -9.651 5.040 36 H4* A 4 H4* A 4 3.633 -11.201 3.453 37 H3* A 4 H3* A 4 1.458 -9.405 2.336 38 H2* A 4 H2* A 4 2.015 -10.238 0.167 39 2HO* A 4 2HO* A 4 4.343 -10.214 0.830 40 H1* A 4 H1* A 4 2.219 -12.863 0.927 41 H8 A 4 H8 A 4 -0.721 -11.450 2.857 42 1H6 A 4 1H6 A 4 -4.090 -12.812 -2.155 43 2H6 A 4 2H6 A 4 -4.101 -12.370 -0.455 44 H2 A 4 H2 A 4 0.246 -12.992 -3.312 45 1H5* C 5 1H5* C 5 4.965 -8.411 -0.099 46 2H5* C 5 2H5* C 5 4.864 -6.705 -0.583 47 H4* C 5 H4* C 5 4.743 -8.353 -2.502 48 H3* C 5 H3* C 5 2.312 -6.599 -2.035 49 H2* C 5 H2* C 5 1.454 -7.532 -4.063 50 2HO* C 5 2HO* C 5 2.643 -8.736 -5.459 51 H1* C 5 H1* C 5 2.192 -10.120 -3.433 52 1H4 C 5 1H4 C 5 -3.983 -9.389 -2.099 53 2H4 C 5 2H4 C 5 -3.631 -8.655 -0.548 54 H5 C 5 H5 C 5 -1.272 -8.230 0.216 55 H6 C 5 H6 C 5 1.030 -8.301 -0.468 56 1H5* U 6 1H5* U 6 3.095 -6.148 -6.083 57 2H5* U 6 2H5* U 6 2.810 -4.525 -6.717 58 H4* U 6 H4* U 6 1.425 -6.341 -7.786 59 H3* U 6 H3* U 6 -0.025 -4.086 -6.393 60 H2* U 6 H2* U 6 -2.103 -5.095 -7.018 61 2HO* U 6 2HO* U 6 -1.067 -5.686 -9.123 62 H1* U 6 H1* U 6 -1.388 -7.657 -6.441 63 H3 U 6 H3 U 6 -4.515 -6.329 -3.362 64 H5 U 6 H5 U 6 -0.763 -5.433 -1.684 65 H6 U 6 H6 U 6 0.236 -5.804 -3.814 66 1H5* C 7 1H5* C 7 -0.687 -3.225 -10.754 67 2H5* C 7 2H5* C 7 -0.820 -1.496 -11.128 68 H4* C 7 H4* C 7 -3.066 -2.641 -10.759 69 H3* C 7 H3* C 7 -2.252 -0.473 -8.795 70 H2* C 7 H2* C 7 -4.421 -0.676 -7.887 71 2HO* C 7 2HO* C 7 -5.601 -0.614 -9.809 72 H1* C 7 H1* C 7 -4.607 -3.465 -8.475 73 1H4 C 7 1H4 C 7 -4.417 -3.065 -2.185 74 2H4 C 7 2H4 C 7 -2.672 -2.885 -2.124 75 H5 C 7 H5 C 7 -1.321 -2.697 -4.319 76 H6 C 7 H6 C 7 -1.561 -2.536 -6.701 77 1H5* U 8 1H5* U 8 -6.041 0.351 -11.525 78 2H5* U 8 2H5* U 8 -6.144 2.115 -11.692 79 H4* U 8 H4* U 8 -8.331 1.053 -11.106 80 H3* U 8 H3* U 8 -7.131 2.962 -9.075 81 H2* U 8 H2* U 8 -9.213 2.745 -7.886 82 2HO* U 8 2HO* U 8 -10.365 2.727 -9.998 83 H1* U 8 H1* U 8 -9.412 0.018 -8.233 84 H3 U 8 H3 U 8 -8.642 0.488 -3.759 85 H5 U 8 H5 U 8 -4.853 0.858 -5.566 86 H6 U 8 H6 U 8 -5.934 1.003 -7.711 87 1H5* G 9 1H5* G 9 -11.179 4.586 -9.932 88 2H5* G 9 2H5* G 9 -11.137 6.338 -9.659 89 H4* G 9 H4* G 9 -12.703 5.061 -8.146 90 H3* G 9 H3* G 9 -10.447 6.604 -6.839 91 H2* G 9 H2* G 9 -11.453 5.970 -4.719 92 2HO* G 9 2HO* G 9 -13.634 6.179 -5.736 93 H1* G 9 H1* G 9 -11.780 3.354 -5.396 94 H8 G 9 H8 G 9 -8.486 4.602 -6.933 95 H1 G 9 H1 G 9 -8.136 3.114 -0.693 96 1H2 G 9 1H2 G 9 -10.233 3.046 0.181 97 2H2 G 9 2H2 G 9 -11.637 3.103 -0.874 98 1H5* G 10 1H5* G 10 -14.287 7.679 -4.858 99 2H5* G 10 2H5* G 10 -14.210 9.336 -4.243 100 H4* G 10 H4* G 10 -14.655 7.497 -2.525 101 H3* G 10 H3* G 10 -12.324 9.388 -2.155 102 H2* G 10 H2* G 10 -11.948 8.304 -0.022 103 2HO* G 10 2HO* G 10 -14.373 8.133 0.191 104 H1* G 10 H1* G 10 -12.276 5.755 -0.962 105 H8 G 10 H8 G 10 -10.377 7.543 -3.700 106 H1 G 10 H1 G 10 -6.739 5.941 1.348 107 1H2 G 10 1H2 G 10 -8.068 5.619 3.162 108 2H2 G 10 2H2 G 10 -9.821 5.577 2.998 109 1H5* U 11 1H5* U 11 -14.551 9.377 1.685 110 2H5* U 11 2H5* U 11 -14.481 11.003 2.389 111 H4* U 11 H4* U 11 -13.431 9.200 3.844 112 H3* U 11 H3* U 11 -11.602 11.421 2.937 113 H2* U 11 H2* U 11 -10.023 10.377 4.432 114 2HO* U 11 2HO* U 11 -11.672 9.890 6.022 115 H1* U 11 H1* U 11 -10.495 7.846 3.572 116 H3 U 11 H3 U 11 -6.375 9.136 2.104 117 H5 U 11 H5 U 11 -9.080 10.575 -0.794 118 H6 U 11 H6 U 11 -10.878 10.062 0.703 119 1H5* A 12 1H5* A 12 -12.928 12.387 7.237 120 2H5* A 12 2H5* A 12 -12.409 13.993 7.768 121 H4* A 12 H4* A 12 -10.942 12.017 8.465 122 H3* A 12 H3* A 12 -9.718 14.323 6.965 123 H2* A 12 H2* A 12 -7.603 13.260 7.347 124 2HO* A 12 2HO* A 12 -8.023 12.679 9.525 125 H1* A 12 H1* A 12 -8.529 10.696 6.737 126 H8 A 12 H8 A 12 -10.076 13.145 4.375 127 1H6 A 12 1H6 A 12 -4.984 12.586 0.919 128 2H6 A 12 2H6 A 12 -6.663 13.099 0.986 129 H2 A 12 H2 A 12 -4.014 11.105 5.045 130 1H5* U 13 1H5* U 13 -6.447 15.731 11.236 131 2H5* U 13 2H5* U 13 -6.542 16.342 9.587 132 H4* U 13 H4* U 13 -4.898 14.040 10.657 133 H3* U 13 H3* U 13 -4.563 16.519 8.952 134 H2* U 13 H2* U 13 -2.831 15.573 7.684 135 2HO* U 13 2HO* U 13 -2.134 14.480 9.827 136 H1* U 13 H1* U 13 -4.000 13.123 7.353 137 H3 U 13 H3 U 13 -4.594 14.984 3.248 138 H5 U 13 H5 U 13 -7.913 16.140 5.579 139 H6 U 13 H6 U 13 -6.676 15.515 7.541 140 1H5* C 14 1H5* C 14 -0.874 16.329 9.603 141 2H5* C 14 2H5* C 14 -0.222 17.858 10.228 142 H4* C 14 H4* C 14 0.838 17.472 8.138 143 H3* C 14 H3* C 14 -1.442 19.393 7.631 144 H2* C 14 H2* C 14 -0.334 19.683 5.443 145 2HO* C 14 2HO* C 14 1.569 18.560 4.973 146 H1* C 14 H1* C 14 -0.342 16.983 5.084 147 1H4 C 14 1H4 C 14 -6.053 18.967 3.026 148 2H4 C 14 2H4 C 14 -6.722 18.923 4.643 149 H5 C 14 H5 C 14 -5.308 18.349 6.635 150 H6 C 14 H6 C 14 -3.099 17.834 7.347 151 1H5* A 15 1H5* A 15 -0.584 22.828 6.229 152 2H5* A 15 2H5* A 15 0.633 21.554 6.009 153 H4* A 15 H4* A 15 0.825 24.529 5.614 154 H3* A 15 H3* A 15 0.546 22.512 3.816 155 H2* A 15 H2* A 15 2.254 21.106 4.626 156 2HO* A 15 2HO* A 15 3.725 21.051 3.012 157 H1* A 15 H1* A 15 4.121 23.444 4.748 158 H8 A 15 H8 A 15 2.979 20.278 6.648 159 1H6 A 15 1H6 A 15 8.566 20.429 9.299 160 2H6 A 15 2H6 A 15 7.067 19.525 9.106 161 H2 A 15 H2 A 15 8.151 24.085 6.769 162 1H5* C 16 1H5* C 16 0.829 22.233 1.000 163 2H5* C 16 2H5* C 16 0.928 23.690 0.038 164 H4* C 16 H4* C 16 -0.331 22.090 -1.133 165 H3* C 16 H3* C 16 -1.432 24.563 -0.903 166 H2* C 16 H2* C 16 -2.606 24.203 1.134 167 2HO* C 16 2HO* C 16 -4.136 23.710 -1.147 168 H1* C 16 H1* C 16 -3.655 21.573 0.176 169 1H4 C 16 1H4 C 16 -4.708 21.768 6.568 170 2H4 C 16 2H4 C 16 -2.989 21.596 6.883 171 H5 C 16 H5 C 16 -1.366 21.403 5.010 172 H6 C 16 H6 C 16 -1.040 21.578 2.673 173 1H5* G 17 1H5* G 17 -0.646 21.087 -4.571 174 2H5* G 17 2H5* G 17 -0.683 20.922 -2.817 175 H4* G 17 H4* G 17 1.775 21.598 -4.516 176 H3* G 17 H3* G 17 0.918 19.119 -2.977 177 H2* G 17 H2* G 17 3.166 18.704 -2.495 178 2HO* G 17 2HO* G 17 3.513 19.326 -4.916 179 H1* G 17 H1* G 17 3.959 21.447 -2.509 180 H8 G 17 H8 G 17 5.303 20.743 -0.365 181 H1 G 17 H1 G 17 0.048 18.414 2.478 182 1H2 G 17 1H2 G 17 -1.629 18.301 1.059 183 2H2 G 17 2H2 G 17 -1.472 18.889 -0.586 184 1H5* G 18 1H5* G 18 3.352 17.061 -4.222 185 2H5* G 18 2H5* G 18 2.892 15.397 -4.606 186 H4* G 18 H4* G 18 4.099 15.995 -2.325 187 H3* G 18 H3* G 18 1.730 14.124 -2.519 188 H2* G 18 H2* G 18 1.995 13.768 -0.149 189 2HO* G 18 2HO* G 18 4.421 13.943 -0.493 190 H1* G 18 H1* G 18 2.351 16.405 0.486 191 H8 G 18 H8 G 18 -0.272 16.064 -2.269 192 H1 G 18 H1 G 18 -2.439 14.552 3.598 193 1H2 G 18 1H2 G 18 -0.685 14.283 4.994 194 2H2 G 18 2H2 G 18 0.956 14.625 4.472 195 1H5* U 19 1H5* U 19 4.773 12.201 0.001 196 2H5* U 19 2H5* U 19 4.714 10.449 -0.192 197 H4* U 19 H4* U 19 4.303 11.361 2.145 198 H3* U 19 H3* U 19 2.211 9.536 0.911 199 H2* U 19 H2* U 19 1.176 9.585 3.097 200 2HO* U 19 2HO* U 19 3.241 9.549 4.201 201 H1* U 19 H1* U 19 1.370 12.275 3.398 202 H3 U 19 H3 U 19 -3.076 11.575 2.446 203 H5 U 19 H5 U 19 -1.139 11.829 -1.280 204 H6 U 19 H6 U 19 0.957 11.698 -0.159 205 1H5* A 20 1H5* A 20 3.841 7.508 4.462 206 2H5* A 20 2H5* A 20 3.679 5.745 4.336 207 H4* A 20 H4* A 20 2.393 6.789 6.206 208 H3* A 20 H3* A 20 0.684 5.333 4.127 209 H2* A 20 H2* A 20 -1.125 5.799 5.569 210 2HO* A 20 2HO* A 20 0.436 5.665 7.495 211 H1* A 20 H1* A 20 -0.649 8.287 5.924 212 H8 A 20 H8 A 20 0.622 7.616 2.342 213 1H6 A 20 1H6 A 20 -5.054 8.912 0.420 214 2H6 A 20 2H6 A 20 -3.396 8.551 0.012 215 H2 A 20 H2 A 20 -5.196 8.495 4.937 216 1H5* C 21 1H5* C 21 -0.875 4.401 7.682 217 2H5* C 21 2H5* C 21 -1.244 2.761 7.899 218 H4* C 21 H4* C 21 -3.219 4.151 8.194 219 H3* C 21 H3* C 21 -3.431 2.414 5.694 220 H2* C 21 H2* C 21 -5.646 3.295 5.501 221 2HO* C 21 2HO* C 21 -5.852 3.288 7.906 222 H1* C 21 H1* C 21 -4.894 5.885 5.891 223 1H4 C 21 1H4 C 21 -4.665 5.527 -0.354 224 2H4 C 21 2H4 C 21 -2.965 5.094 -0.333 225 H5 C 21 H5 C 21 -1.782 4.538 1.828 226 H6 C 21 H6 C 21 -2.040 4.418 4.198 227 1H5* C 22 1H5* C 22 -6.953 1.684 8.070 228 2H5* C 22 2H5* C 22 -7.540 0.019 7.875 229 H4* C 22 H4* C 22 -9.136 1.837 7.079 230 H3* C 22 H3* C 22 -8.160 -0.248 5.100 231 H2* C 22 H2* C 22 -9.598 0.761 3.493 232 2HO* C 22 2HO* C 22 -11.176 1.127 5.355 233 H1* C 22 H1* C 22 -9.021 3.365 4.184 234 1H4 C 22 1H4 C 22 -5.608 2.439 -1.006 235 2H4 C 22 2H4 C 22 -4.246 1.799 -0.111 236 H5 C 22 H5 C 22 -4.370 1.483 2.412 237 H6 C 22 H6 C 22 -5.819 1.601 4.305 238 1H5* U 23 1H5* U 23 -12.335 -0.159 4.333 239 2H5* U 23 2H5* U 23 -12.905 -1.799 3.986 240 H4* U 23 H4* U 23 -13.186 -0.196 2.086 241 H3* U 23 H3* U 23 -11.343 -2.561 1.628 242 H2* U 23 H2* U 23 -11.262 -1.836 -0.692 243 2HO* U 23 2HO* U 23 -13.589 -1.207 -0.531 244 H1* U 23 H1* U 23 -10.969 0.811 -0.083 245 H3 U 23 H3 U 23 -6.898 -0.247 -1.733 246 H5 U 23 H5 U 23 -6.850 -1.761 2.199 247 H6 U 23 H6 U 23 -9.196 -1.268 2.366 248 1H5* U 24 1H5* U 24 -14.477 -2.391 -1.524 249 2H5* U 24 2H5* U 24 -14.839 -4.031 -2.081 250 H4* U 24 H4* U 24 -14.080 -2.472 -3.899 251 H3* U 24 H3* U 24 -12.336 -4.887 -3.312 252 H2* U 24 H2* U 24 -11.161 -4.288 -5.349 253 2HO* U 24 2HO* U 24 -13.316 -3.630 -6.278 254 H1* U 24 H1* U 24 -11.097 -1.590 -4.737 255 H3 U 24 H3 U 24 -6.760 -2.846 -4.311 256 H5 U 24 H5 U 24 -8.583 -4.373 -0.860 257 H6 U 24 H6 U 24 -10.752 -3.807 -1.792 258 1H5* U 25 1H5* U 25 -13.330 -5.158 -7.482 259 2H5* U 25 2H5* U 25 -13.546 -6.861 -7.923 260 H4* U 25 H4* U 25 -11.778 -5.744 -9.252 261 H3* U 25 H3* U 25 -10.776 -7.942 -7.395 262 H2* U 25 H2* U 25 -8.698 -7.704 -8.534 263 2HO* U 25 2HO* U 25 -9.890 -7.367 -10.596 264 H1* U 25 H1* U 25 -8.740 -4.953 -8.483 265 H3 U 25 H3 U 25 -5.479 -6.169 -5.512 266 H5 U 25 H5 U 25 -9.055 -6.653 -3.387 267 H6 U 25 H6 U 25 -10.283 -6.293 -5.436 268 1H5* G 26 1H5* G 26 -9.802 -9.294 -11.330 269 2H5* G 26 2H5* G 26 -9.820 -11.068 -11.403 270 H4* G 26 H4* G 26 -7.580 -10.012 -11.854 271 H3* G 26 H3* G 26 -7.794 -11.834 -9.438 272 H2* G 26 H2* G 26 -5.384 -11.595 -9.264 273 2HO* G 26 2HO* G 26 -5.253 -11.592 -11.674 274 H1* G 26 H1* G 26 -5.436 -8.871 -9.643 275 H8 G 26 H8 G 26 -8.444 -9.591 -7.464 276 H1 G 26 H1 G 26 -2.821 -9.991 -4.360 277 1H2 G 26 1H2 G 26 -1.127 -10.157 -5.900 278 2H2 G 26 2H2 G 26 -1.473 -10.021 -7.618 279 1H5* U 27 1H5* U 27 -4.494 -13.267 -12.019 280 2H5* U 27 2H5* U 27 -4.381 -15.031 -11.920 281 H4* U 27 H4* U 27 -2.275 -13.806 -11.323 282 H3* U 27 H3* U 27 -3.486 -15.502 -9.105 283 H2* U 27 H2* U 27 -1.447 -15.090 -7.956 284 2HO* U 27 2HO* U 27 -0.153 -15.187 -9.930 285 H1* U 27 H1* U 27 -1.478 -12.412 -8.447 286 H3 U 27 H3 U 27 -2.549 -13.185 -4.033 287 H5 U 27 H5 U 27 -6.180 -13.502 -6.144 288 H6 U 27 H6 U 27 -4.937 -13.463 -8.195 289 1H5* G 28 1H5* G 28 0.546 -17.008 -9.946 290 2H5* G 28 2H5* G 28 0.734 -18.686 -9.413 291 H4* G 28 H4* G 28 2.193 -16.895 -8.302 292 H3* G 28 H3* G 28 0.594 -18.746 -6.551 293 H2* G 28 H2* G 28 1.736 -17.639 -4.694 294 2HO* G 28 2HO* G 28 3.683 -17.462 -6.189 295 H1* G 28 H1* G 28 1.221 -15.119 -5.606 296 H8 G 28 H8 G 28 -1.873 -16.800 -6.743 297 H1 G 28 H1 G 28 -1.820 -15.974 -0.380 298 1H2 G 28 1H2 G 28 0.275 -15.622 0.356 299 2H2 G 28 2H2 G 28 1.627 -15.543 -0.749 300 1H5* U 29 1H5* U 29 4.513 -19.066 -5.207 301 2H5* U 29 2H5* U 29 4.988 -20.733 -4.828 302 H4* U 29 H4* U 29 5.123 -19.263 -2.860 303 H3* U 29 H3* U 29 2.951 -21.389 -2.688 304 H2* U 29 H2* U 29 2.635 -20.707 -0.435 305 2HO* U 29 2HO* U 29 5.051 -20.293 -0.317 306 H1* U 29 H1* U 29 2.610 -18.036 -1.009 307 H3 U 29 H3 U 29 -1.805 -19.192 -0.248 308 H5 U 29 H5 U 29 -1.109 -19.739 -4.357 309 H6 U 29 H6 U 29 1.199 -19.488 -3.978 310 1H5* C 30 1H5* C 30 5.467 -21.929 0.595 311 2H5* C 30 2H5* C 30 5.705 -23.643 0.975 312 H4* C 30 H4* C 30 4.719 -22.325 2.842 313 H3* C 30 H3* C 30 2.973 -24.507 1.626 314 H2* C 30 H2* C 30 1.408 -24.095 3.365 315 2HO* C 30 2HO* C 30 1.974 -22.833 5.188 316 H1* C 30 H1* C 30 1.828 -21.309 3.404 317 1H4 C 30 1H4 C 30 -3.704 -21.837 0.485 318 2H4 C 30 2H4 C 30 -2.942 -22.035 -1.081 319 H5 C 30 H5 C 30 -0.448 -22.532 -1.264 320 H6 C 30 H6 C 30 1.600 -22.608 -0.008 321 H3T C 30 HE C 30 4.149 -24.503 4.159 Start of MODEL 17 1 1H5* G 1 1H5* G 1 -11.734 -23.314 6.850 2 2H5* G 1 2H5* G 1 -11.852 -21.553 7.033 3 H4* G 1 H4* G 1 -9.869 -22.436 8.189 4 H3* G 1 H3* G 1 -9.277 -20.708 5.779 5 H2* G 1 H2* G 1 -6.968 -20.825 6.476 6 2HO* G 1 2HO* G 1 -7.743 -20.791 8.791 7 H1* G 1 H1* G 1 -7.001 -23.505 6.946 8 H8 G 1 H8 G 1 -9.207 -22.997 3.905 9 H1 G 1 H1 G 1 -2.936 -22.385 2.629 10 1H2 G 1 1H2 G 1 -1.783 -22.241 4.596 11 2H2 G 1 2H2 G 1 -2.610 -22.380 6.143 12 1H5* G 2 1H5* G 2 -6.988 -19.113 9.031 13 2H5* G 2 2H5* G 2 -6.929 -17.350 8.920 14 H4* G 2 H4* G 2 -4.658 -18.475 8.859 15 H3* G 2 H3* G 2 -5.435 -16.864 6.413 16 H2* G 2 H2* G 2 -3.145 -17.135 5.833 17 2HO* G 2 2HO* G 2 -2.495 -16.878 8.132 18 H1* G 2 H1* G 2 -3.050 -19.806 6.562 19 H8 G 2 H8 G 2 -6.292 -19.343 4.715 20 H1 G 2 H1 G 2 -1.114 -18.861 0.888 21 1H2 G 2 1H2 G 2 0.734 -18.847 2.134 22 2H2 G 2 2H2 G 2 0.665 -18.954 3.889 23 1H5* C 3 1H5* C 3 -2.015 -15.210 8.364 24 2H5* C 3 2H5* C 3 -1.724 -13.498 8.035 25 H4* C 3 H4* C 3 -0.008 -15.252 7.249 26 H3* C 3 H3* C 3 -1.128 -13.177 5.301 27 H2* C 3 H2* C 3 0.471 -13.963 3.706 28 2HO* C 3 2HO* C 3 2.067 -14.208 5.510 29 H1* C 3 H1* C 3 0.016 -16.613 4.245 30 1H4 C 3 1H4 C 3 -3.892 -15.822 -0.623 31 2H4 C 3 2H4 C 3 -5.197 -15.389 0.458 32 H5 C 3 H5 C 3 -4.829 -14.985 2.893 33 H6 C 3 H6 C 3 -3.197 -15.012 4.631 34 1H5* A 4 1H5* A 4 3.034 -12.199 5.340 35 2H5* A 4 2H5* A 4 3.248 -10.448 5.140 36 H4* A 4 H4* A 4 4.204 -11.832 3.279 37 H3* A 4 H3* A 4 1.947 -9.935 2.540 38 H2* A 4 H2* A 4 2.395 -10.533 0.268 39 2HO* A 4 2HO* A 4 4.738 -10.552 0.701 40 H1* A 4 H1* A 4 2.622 -13.222 0.785 41 H8 A 4 H8 A 4 -0.220 -11.884 2.922 42 1H6 A 4 1H6 A 4 -3.764 -12.967 -2.056 43 2H6 A 4 2H6 A 4 -3.737 -12.604 -0.335 44 H2 A 4 H2 A 4 0.520 -13.142 -3.343 45 1H5* C 5 1H5* C 5 5.391 -8.578 0.074 46 2H5* C 5 2H5* C 5 5.178 -6.858 -0.312 47 H4* C 5 H4* C 5 5.121 -8.454 -2.294 48 H3* C 5 H3* C 5 2.650 -6.760 -1.794 49 H2* C 5 H2* C 5 1.834 -7.681 -3.872 50 2HO* C 5 2HO* C 5 4.140 -7.611 -4.692 51 H1* C 5 H1* C 5 2.591 -10.260 -3.283 52 1H4 C 5 1H4 C 5 -3.582 -9.587 -1.859 53 2H4 C 5 2H4 C 5 -3.212 -8.913 -0.289 54 H5 C 5 H5 C 5 -0.842 -8.514 0.465 55 H6 C 5 H6 C 5 1.445 -8.550 -0.249 56 1H5* U 6 1H5* U 6 3.315 -6.205 -5.896 57 2H5* U 6 2H5* U 6 2.962 -4.565 -6.441 58 H4* U 6 H4* U 6 1.594 -6.414 -7.506 59 H3* U 6 H3* U 6 0.151 -4.177 -6.077 60 H2* U 6 H2* U 6 -1.927 -5.198 -6.664 61 2HO* U 6 2HO* U 6 -0.905 -5.779 -8.790 62 H1* U 6 H1* U 6 -1.181 -7.759 -6.113 63 H3 U 6 H3 U 6 -4.234 -6.479 -2.933 64 H5 U 6 H5 U 6 -0.429 -5.647 -1.343 65 H6 U 6 H6 U 6 0.509 -5.987 -3.503 66 1H5* C 7 1H5* C 7 -0.770 -3.317 -10.329 67 2H5* C 7 2H5* C 7 -0.867 -1.585 -10.707 68 H4* C 7 H4* C 7 -3.138 -2.699 -10.298 69 H3* C 7 H3* C 7 -2.259 -0.528 -8.364 70 H2* C 7 H2* C 7 -4.408 -0.716 -7.397 71 2HO* C 7 2HO* C 7 -5.623 -0.669 -9.306 72 H1* C 7 H1* C 7 -4.621 -3.505 -7.964 73 1H4 C 7 1H4 C 7 -4.192 -3.172 -1.695 74 2H4 C 7 2H4 C 7 -2.434 -3.129 -1.701 75 H5 C 7 H5 C 7 -1.165 -2.945 -3.943 76 H6 C 7 H6 C 7 -1.489 -2.725 -6.306 77 1H5* U 8 1H5* U 8 -6.101 0.223 -11.047 78 2H5* U 8 2H5* U 8 -6.232 1.982 -11.243 79 H4* U 8 H4* U 8 -8.404 0.889 -10.655 80 H3* U 8 H3* U 8 -7.253 2.864 -8.661 81 H2* U 8 H2* U 8 -9.343 2.642 -7.480 82 2HO* U 8 2HO* U 8 -10.468 2.544 -9.611 83 H1* U 8 H1* U 8 -9.488 -0.098 -7.764 84 H3 U 8 H3 U 8 -8.764 0.602 -3.292 85 H5 U 8 H5 U 8 -4.962 0.851 -5.087 86 H6 U 8 H6 U 8 -6.021 0.887 -7.242 87 1H5* G 9 1H5* G 9 -11.321 4.378 -9.601 88 2H5* G 9 2H5* G 9 -11.314 6.141 -9.407 89 H4* G 9 H4* G 9 -12.880 4.912 -7.856 90 H3* G 9 H3* G 9 -10.654 6.540 -6.600 91 H2* G 9 H2* G 9 -11.674 6.000 -4.463 92 2HO* G 9 2HO* G 9 -13.846 6.157 -5.484 93 H1* G 9 H1* G 9 -11.993 3.350 -5.030 94 H8 G 9 H8 G 9 -8.670 4.534 -6.554 95 H1 G 9 H1 G 9 -8.459 3.336 -0.245 96 1H2 G 9 1H2 G 9 -10.577 3.242 0.573 97 2H2 G 9 2H2 G 9 -11.949 3.226 -0.527 98 1H5* G 10 1H5* G 10 -14.533 7.712 -4.726 99 2H5* G 10 2H5* G 10 -14.468 9.413 -4.241 100 H4* G 10 H4* G 10 -14.936 7.738 -2.381 101 H3* G 10 H3* G 10 -12.559 9.597 -2.153 102 H2* G 10 H2* G 10 -12.213 8.678 0.057 103 2HO* G 10 2HO* G 10 -14.635 8.590 0.289 104 H1* G 10 H1* G 10 -12.613 6.071 -0.678 105 H8 G 10 H8 G 10 -10.639 7.658 -3.506 106 H1 G 10 H1 G 10 -7.106 6.253 1.674 107 1H2 G 10 1H2 G 10 -8.473 6.027 3.478 108 2H2 G 10 2H2 G 10 -10.223 5.993 3.283 109 1H5* U 11 1H5* U 11 -14.775 9.945 1.697 110 2H5* U 11 2H5* U 11 -14.626 11.613 2.277 111 H4* U 11 H4* U 11 -13.650 9.867 3.851 112 H3* U 11 H3* U 11 -11.738 11.954 2.806 113 H2* U 11 H2* U 11 -10.194 10.956 4.364 114 2HO* U 11 2HO* U 11 -11.833 10.636 5.991 115 H1* U 11 H1* U 11 -10.764 8.386 3.672 116 H3 U 11 H3 U 11 -6.600 9.485 2.161 117 H5 U 11 H5 U 11 -9.248 10.857 -0.822 118 H6 U 11 H6 U 11 -11.066 10.446 0.676 119 1H5* A 12 1H5* A 12 -13.116 13.241 7.032 120 2H5* A 12 2H5* A 12 -12.554 14.859 7.476 121 H4* A 12 H4* A 12 -11.167 12.886 8.320 122 H3* A 12 H3* A 12 -9.836 15.060 6.718 123 H2* A 12 H2* A 12 -7.769 13.961 7.211 124 2HO* A 12 2HO* A 12 -8.254 13.524 9.411 125 H1* A 12 H1* A 12 -8.755 11.392 6.736 126 H8 A 12 H8 A 12 -10.186 13.733 4.198 127 1H6 A 12 1H6 A 12 -5.048 12.837 0.888 128 2H6 A 12 2H6 A 12 -6.716 13.391 0.889 129 H2 A 12 H2 A 12 -4.200 11.579 5.116 130 1H5* U 13 1H5* U 13 -6.655 16.605 11.031 131 2H5* U 13 2H5* U 13 -6.671 17.140 9.353 132 H4* U 13 H4* U 13 -5.127 14.859 10.594 133 H3* U 13 H3* U 13 -4.674 17.219 8.756 134 H2* U 13 H2* U 13 -2.935 16.152 7.595 135 2HO* U 13 2HO* U 13 -2.334 15.165 9.822 136 H1* U 13 H1* U 13 -4.170 13.717 7.380 137 H3 U 13 H3 U 13 -4.592 15.335 3.155 138 H5 U 13 H5 U 13 -7.926 16.753 5.315 139 H6 U 13 H6 U 13 -6.768 16.202 7.344 140 1H5* C 14 1H5* C 14 -0.992 16.929 9.501 141 2H5* C 14 2H5* C 14 -0.293 18.468 10.046 142 H4* C 14 H4* C 14 0.790 17.904 8.003 143 H3* C 14 H3* C 14 -1.382 19.912 7.365 144 H2* C 14 H2* C 14 -0.249 20.022 5.167 145 2HO* C 14 2HO* C 14 1.610 18.809 4.793 146 H1* C 14 H1* C 14 -0.359 17.312 4.955 147 1H4 C 14 1H4 C 14 -5.989 19.377 2.735 148 2H4 C 14 2H4 C 14 -6.657 19.490 4.350 149 H5 C 14 H5 C 14 -5.276 18.979 6.382 150 H6 C 14 H6 C 14 -3.095 18.416 7.136 151 1H5* A 15 1H5* A 15 -0.340 23.225 5.839 152 2H5* A 15 2H5* A 15 0.781 21.845 5.668 153 H4* A 15 H4* A 15 1.179 24.767 5.157 154 H3* A 15 H3* A 15 0.641 22.697 3.463 155 H2* A 15 H2* A 15 2.394 21.275 4.147 156 2HO* A 15 2HO* A 15 3.741 21.203 2.378 157 H1* A 15 H1* A 15 4.218 23.663 4.035 158 H8 A 15 H8 A 15 3.429 20.493 6.111 159 1H6 A 15 1H6 A 15 9.555 20.222 7.023 160 2H6 A 15 2H6 A 15 8.006 19.428 7.294 161 H2 A 15 H2 A 15 8.669 23.936 4.710 162 1H5* C 16 1H5* C 16 1.081 22.295 0.444 163 2H5* C 16 2H5* C 16 0.851 23.727 -0.529 164 H4* C 16 H4* C 16 -0.221 21.747 -1.395 165 H3* C 16 H3* C 16 -1.428 24.222 -1.479 166 H2* C 16 H2* C 16 -2.502 24.088 0.618 167 2HO* C 16 2HO* C 16 -4.762 23.394 0.157 168 H1* C 16 H1* C 16 -3.492 21.316 0.029 169 1H4 C 16 1H4 C 16 -4.566 22.570 6.340 170 2H4 C 16 2H4 C 16 -2.868 22.266 6.665 171 H5 C 16 H5 C 16 -1.275 21.777 4.845 172 H6 C 16 H6 C 16 -0.968 21.549 2.508 173 1H5* G 17 1H5* G 17 0.716 22.303 -5.124 174 2H5* G 17 2H5* G 17 0.040 20.653 -5.114 175 H4* G 17 H4* G 17 2.626 21.166 -4.893 176 H3* G 17 H3* G 17 1.181 19.011 -3.325 177 H2* G 17 H2* G 17 3.374 18.392 -2.614 178 2HO* G 17 2HO* G 17 4.005 18.780 -4.997 179 H1* G 17 H1* G 17 4.375 21.067 -2.719 180 H8 G 17 H8 G 17 5.459 20.581 -0.458 181 H1 G 17 H1 G 17 -0.037 18.571 2.153 182 1H2 G 17 1H2 G 17 -1.595 18.293 0.541 183 2H2 G 17 2H2 G 17 -1.252 18.767 -1.112 184 1H5* G 18 1H5* G 18 3.615 16.698 -4.235 185 2H5* G 18 2H5* G 18 3.086 15.065 -4.600 186 H4* G 18 H4* G 18 4.213 15.684 -2.270 187 H3* G 18 H3* G 18 1.783 13.892 -2.498 188 H2* G 18 H2* G 18 1.995 13.598 -0.104 189 2HO* G 18 2HO* G 18 4.416 13.678 -0.395 190 H1* G 18 H1* G 18 2.417 16.251 0.440 191 H8 G 18 H8 G 18 -0.175 15.832 -2.353 192 H1 G 18 H1 G 18 -2.477 14.849 3.579 193 1H2 G 18 1H2 G 18 -0.760 14.628 5.023 194 2H2 G 18 2H2 G 18 0.903 14.850 4.505 195 1H5* U 19 1H5* U 19 4.705 11.953 0.162 196 2H5* U 19 2H5* U 19 4.563 10.198 0.062 197 H4* U 19 H4* U 19 4.155 11.269 2.338 198 H3* U 19 H3* U 19 2.022 9.450 1.167 199 H2* U 19 H2* U 19 0.938 9.675 3.319 200 2HO* U 19 2HO* U 19 3.000 9.635 4.454 201 H1* U 19 H1* U 19 1.239 12.371 3.471 202 H3 U 19 H3 U 19 -3.214 11.838 2.478 203 H5 U 19 H5 U 19 -1.208 11.777 -1.221 204 H6 U 19 H6 U 19 0.858 11.594 -0.058 205 1H5* A 20 1H5* A 20 3.462 7.638 4.926 206 2H5* A 20 2H5* A 20 3.238 5.877 4.917 207 H4* A 20 H4* A 20 1.915 7.078 6.672 208 H3* A 20 H3* A 20 0.248 5.580 4.591 209 H2* A 20 H2* A 20 -1.602 6.161 5.903 210 2HO* A 20 2HO* A 20 -1.456 7.177 7.865 211 H1* A 20 H1* A 20 -1.043 8.653 6.145 212 H8 A 20 H8 A 20 0.303 7.696 2.656 213 1H6 A 20 1H6 A 20 -5.264 9.203 0.544 214 2H6 A 20 2H6 A 20 -3.620 8.739 0.183 215 H2 A 20 H2 A 20 -5.514 9.001 5.063 216 1H5* C 21 1H5* C 21 -1.346 4.870 8.127 217 2H5* C 21 2H5* C 21 -1.782 3.271 8.446 218 H4* C 21 H4* C 21 -3.714 4.733 8.671 219 H3* C 21 H3* C 21 -3.956 2.865 6.276 220 H2* C 21 H2* C 21 -6.147 3.789 5.983 221 2HO* C 21 2HO* C 21 -6.375 3.926 8.388 222 H1* C 21 H1* C 21 -5.337 6.379 6.244 223 1H4 C 21 1H4 C 21 -4.997 5.777 0.036 224 2H4 C 21 2H4 C 21 -3.313 5.289 0.107 225 H5 C 21 H5 C 21 -2.196 4.752 2.305 226 H6 C 21 H6 C 21 -2.499 4.725 4.666 227 1H5* C 22 1H5* C 22 -7.562 2.302 8.579 228 2H5* C 22 2H5* C 22 -8.124 0.620 8.471 229 H4* C 22 H4* C 22 -9.718 2.335 7.501 230 H3* C 22 H3* C 22 -8.594 0.207 5.648 231 H2* C 22 H2* C 22 -10.014 1.102 3.954 232 2HO* C 22 2HO* C 22 -11.669 1.481 5.740 233 H1* C 22 H1* C 22 -9.531 3.746 4.570 234 1H4 C 22 1H4 C 22 -5.897 2.698 -0.450 235 2H4 C 22 2H4 C 22 -4.571 2.086 0.517 236 H5 C 22 H5 C 22 -4.791 1.838 3.037 237 H6 C 22 H6 C 22 -6.316 2.009 4.872 238 1H5* U 23 1H5* U 23 -12.716 0.076 4.683 239 2H5* U 23 2H5* U 23 -13.188 -1.605 4.395 240 H4* U 23 H4* U 23 -13.469 -0.127 2.406 241 H3* U 23 H3* U 23 -11.454 -2.378 2.143 242 H2* U 23 H2* U 23 -11.333 -1.767 -0.204 243 2HO* U 23 2HO* U 23 -13.676 -1.324 -0.239 244 H1* U 23 H1* U 23 -11.258 0.929 0.283 245 H3 U 23 H3 U 23 -7.092 0.003 -1.225 246 H5 U 23 H5 U 23 -7.074 -1.374 2.759 247 H6 U 23 H6 U 23 -9.437 -0.938 2.867 248 1H5* U 24 1H5* U 24 -14.495 -2.611 -1.119 249 2H5* U 24 2H5* U 24 -14.694 -4.292 -1.632 250 H4* U 24 H4* U 24 -13.975 -2.672 -3.458 251 H3* U 24 H3* U 24 -12.165 -5.009 -2.797 252 H2* U 24 H2* U 24 -10.934 -4.387 -4.773 253 2HO* U 24 2HO* U 24 -11.659 -2.894 -6.222 254 H1* U 24 H1* U 24 -11.038 -1.670 -4.192 255 H3 U 24 H3 U 24 -6.654 -2.796 -3.807 256 H5 U 24 H5 U 24 -8.393 -4.307 -0.308 257 H6 U 24 H6 U 24 -10.592 -3.800 -1.213 258 1H5* U 25 1H5* U 25 -13.077 -5.144 -6.972 259 2H5* U 25 2H5* U 25 -13.220 -6.810 -7.554 260 H4* U 25 H4* U 25 -11.495 -5.493 -8.777 261 H3* U 25 H3* U 25 -10.482 -7.862 -7.159 262 H2* U 25 H2* U 25 -8.367 -7.477 -8.183 263 2HO* U 25 2HO* U 25 -9.559 -6.936 -10.231 264 H1* U 25 H1* U 25 -8.462 -4.733 -7.906 265 H3 U 25 H3 U 25 -5.226 -6.007 -4.955 266 H5 U 25 H5 U 25 -8.819 -6.810 -2.962 267 H6 U 25 H6 U 25 -10.014 -6.379 -5.011 268 1H5* G 26 1H5* G 26 -9.372 -8.891 -11.148 269 2H5* G 26 2H5* G 26 -9.477 -10.649 -11.380 270 H4* G 26 H4* G 26 -7.152 -9.718 -11.598 271 H3* G 26 H3* G 26 -7.631 -11.632 -9.289 272 H2* G 26 H2* G 26 -5.239 -11.543 -8.957 273 2HO* G 26 2HO* G 26 -4.717 -11.588 -11.198 274 H1* G 26 H1* G 26 -5.107 -8.795 -9.327 275 H8 G 26 H8 G 26 -8.133 -9.435 -7.159 276 H1 G 26 H1 G 26 -2.517 -10.134 -4.087 277 1H2 G 26 1H2 G 26 -0.829 -10.282 -5.643 278 2H2 G 26 2H2 G 26 -1.188 -10.104 -7.351 279 1H5* U 27 1H5* U 27 -4.352 -13.156 -12.030 280 2H5* U 27 2H5* U 27 -4.293 -14.924 -11.940 281 H4* U 27 H4* U 27 -2.128 -13.713 -11.401 282 H3* U 27 H3* U 27 -3.287 -15.519 -9.246 283 H2* U 27 H2* U 27 -1.205 -15.161 -8.121 284 2HO* U 27 2HO* U 27 0.019 -15.166 -10.146 285 H1* U 27 H1* U 27 -1.232 -12.465 -8.492 286 H3 U 27 H3 U 27 -2.164 -13.266 -4.066 287 H5 U 27 H5 U 27 -5.857 -13.580 -6.057 288 H6 U 27 H6 U 27 -4.690 -13.524 -8.151 289 1H5* G 28 1H5* G 28 0.781 -17.000 -10.282 290 2H5* G 28 2H5* G 28 0.976 -18.696 -9.810 291 H4* G 28 H4* G 28 2.471 -16.946 -8.675 292 H3* G 28 H3* G 28 0.914 -18.857 -6.956 293 H2* G 28 H2* G 28 2.044 -17.794 -5.071 294 2HO* G 28 2HO* G 28 3.976 -17.531 -6.602 295 H1* G 28 H1* G 28 1.530 -15.248 -5.898 296 H8 G 28 H8 G 28 -1.594 -16.930 -7.036 297 H1 G 28 H1 G 28 -1.390 -16.201 -0.665 298 1H2 G 28 1H2 G 28 0.763 -15.929 0.014 299 2H2 G 28 2H2 G 28 2.059 -15.775 -1.161 300 1H5* U 29 1H5* U 29 4.739 -18.978 -5.388 301 2H5* U 29 2H5* U 29 5.279 -20.629 -5.040 302 H4* U 29 H4* U 29 5.243 -19.235 -3.019 303 H3* U 29 H3* U 29 3.176 -21.468 -3.034 304 H2* U 29 H2* U 29 2.732 -20.901 -0.771 305 2HO* U 29 2HO* U 29 5.117 -20.367 -0.535 306 H1* U 29 H1* U 29 2.580 -18.221 -1.237 307 H3 U 29 H3 U 29 -1.819 -19.601 -0.802 308 H5 U 29 H5 U 29 -0.839 -19.968 -4.870 309 H6 U 29 H6 U 29 1.425 -19.637 -4.332 310 1H5* C 30 1H5* C 30 5.619 -22.003 0.304 311 2H5* C 30 2H5* C 30 5.906 -23.713 0.669 312 H4* C 30 H4* C 30 4.830 -22.468 2.522 313 H3* C 30 H3* C 30 3.143 -24.642 1.216 314 H2* C 30 H2* C 30 1.565 -24.313 2.988 315 2HO* C 30 2HO* C 30 3.623 -23.941 4.413 316 H1* C 30 H1* C 30 1.867 -21.537 3.020 317 1H4 C 30 1H4 C 30 -3.507 -22.342 -0.157 318 2H4 C 30 2H4 C 30 -2.677 -22.567 -1.685 319 H5 C 30 H5 C 30 -0.152 -22.924 -1.749 320 H6 C 30 H6 C 30 1.838 -22.880 -0.406 321 H3T C 30 HE C 30 3.976 -25.894 2.838 Start of MODEL 18 1 1H5* G 1 1H5* G 1 -11.993 -22.915 6.702 2 2H5* G 1 2H5* G 1 -12.166 -21.153 6.815 3 H4* G 1 H4* G 1 -10.243 -21.947 8.129 4 H3* G 1 H3* G 1 -9.539 -20.281 5.702 5 H2* G 1 H2* G 1 -7.276 -20.313 6.537 6 2HO* G 1 2HO* G 1 -8.172 -20.212 8.798 7 H1* G 1 H1* G 1 -7.270 -22.975 7.097 8 H8 G 1 H8 G 1 -9.298 -22.610 3.916 9 H1 G 1 H1 G 1 -2.976 -21.891 2.994 10 1H2 G 1 1H2 G 1 -1.943 -21.687 5.016 11 2H2 G 1 2H2 G 1 -2.853 -21.801 6.517 12 1H5* G 2 1H5* G 2 -7.495 -18.517 9.057 13 2H5* G 2 2H5* G 2 -7.462 -16.758 8.878 14 H4* G 2 H4* G 2 -5.161 -17.842 9.006 15 H3* G 2 H3* G 2 -5.833 -16.307 6.485 16 H2* G 2 H2* G 2 -3.511 -16.565 6.024 17 2HO* G 2 2HO* G 2 -2.990 -16.244 8.351 18 H1* G 2 H1* G 2 -3.408 -19.212 6.821 19 H8 G 2 H8 G 2 -6.570 -18.809 4.810 20 H1 G 2 H1 G 2 -1.221 -18.397 1.229 21 1H2 G 2 1H2 G 2 0.566 -18.306 2.559 22 2H2 G 2 2H2 G 2 0.413 -18.380 4.310 23 1H5* C 3 1H5* C 3 -2.519 -14.584 8.551 24 2H5* C 3 2H5* C 3 -2.235 -12.875 8.207 25 H4* C 3 H4* C 3 -0.469 -14.612 7.522 26 H3* C 3 H3* C 3 -1.550 -12.600 5.482 27 H2* C 3 H2* C 3 0.110 -13.384 3.963 28 2HO* C 3 2HO* C 3 1.649 -13.562 5.826 29 H1* C 3 H1* C 3 -0.300 -16.031 4.542 30 1H4 C 3 1H4 C 3 -4.063 -15.441 -0.467 31 2H4 C 3 2H4 C 3 -5.413 -15.014 0.560 32 H5 C 3 H5 C 3 -5.134 -14.543 2.998 33 H6 C 3 H6 C 3 -3.560 -14.493 4.787 34 1H5* A 4 1H5* A 4 2.602 -11.616 5.519 35 2H5* A 4 2H5* A 4 2.806 -9.870 5.270 36 H4* A 4 H4* A 4 3.785 -11.313 3.458 37 H3* A 4 H3* A 4 1.541 -9.434 2.637 38 H2* A 4 H2* A 4 2.033 -10.094 0.390 39 2HO* A 4 2HO* A 4 4.358 -10.100 0.821 40 H1* A 4 H1* A 4 2.251 -12.775 1.008 41 H8 A 4 H8 A 4 -0.666 -11.451 3.013 42 1H6 A 4 1H6 A 4 -4.008 -12.624 -2.099 43 2H6 A 4 2H6 A 4 -4.062 -12.266 -0.378 44 H2 A 4 H2 A 4 0.315 -12.665 -3.228 45 1H5* C 5 1H5* C 5 5.075 -8.133 0.257 46 2H5* C 5 2H5* C 5 4.890 -6.422 -0.183 47 H4* C 5 H4* C 5 4.899 -8.080 -2.121 48 H3* C 5 H3* C 5 2.440 -6.334 -1.763 49 H2* C 5 H2* C 5 1.677 -7.308 -3.830 50 2HO* C 5 2HO* C 5 4.004 -7.285 -4.583 51 H1* C 5 H1* C 5 2.390 -9.880 -3.153 52 1H4 C 5 1H4 C 5 -3.819 -9.258 -1.970 53 2H4 C 5 2H4 C 5 -3.516 -8.574 -0.385 54 H5 C 5 H5 C 5 -1.184 -8.085 0.423 55 H6 C 5 H6 C 5 1.130 -8.098 -0.211 56 1H5* U 6 1H5* U 6 3.265 -5.879 -5.884 57 2H5* U 6 2H5* U 6 2.897 -4.259 -6.482 58 H4* U 6 H4* U 6 1.593 -6.167 -7.524 59 H3* U 6 H3* U 6 0.054 -3.920 -6.212 60 H2* U 6 H2* U 6 -1.977 -5.018 -6.831 61 2HO* U 6 2HO* U 6 -0.881 -5.651 -8.901 62 H1* U 6 H1* U 6 -1.187 -7.526 -6.146 63 H3 U 6 H3 U 6 -4.337 -6.250 -3.093 64 H5 U 6 H5 U 6 -0.605 -5.213 -1.448 65 H6 U 6 H6 U 6 0.390 -5.585 -3.577 66 1H5* C 7 1H5* C 7 -0.797 -3.216 -10.513 67 2H5* C 7 2H5* C 7 -0.945 -1.497 -10.930 68 H4* C 7 H4* C 7 -3.187 -2.699 -10.563 69 H3* C 7 H3* C 7 -2.457 -0.438 -8.669 70 H2* C 7 H2* C 7 -4.617 -0.705 -7.749 71 2HO* C 7 2HO* C 7 -5.814 -0.762 -9.652 72 H1* C 7 H1* C 7 -4.688 -3.507 -8.241 73 1H4 C 7 1H4 C 7 -4.393 -2.915 -1.969 74 2H4 C 7 2H4 C 7 -2.641 -2.789 -1.945 75 H5 C 7 H5 C 7 -1.333 -2.643 -4.175 76 H6 C 7 H6 C 7 -1.625 -2.532 -6.550 77 1H5* U 8 1H5* U 8 -6.351 0.168 -11.355 78 2H5* U 8 2H5* U 8 -6.539 1.923 -11.527 79 H4* U 8 H4* U 8 -8.655 0.753 -10.878 80 H3* U 8 H3* U 8 -7.518 2.753 -8.898 81 H2* U 8 H2* U 8 -9.567 2.440 -7.666 82 2HO* U 8 2HO* U 8 -10.751 2.313 -9.760 83 H1* U 8 H1* U 8 -9.602 -0.297 -7.949 84 H3 U 8 H3 U 8 -8.746 0.389 -3.518 85 H5 U 8 H5 U 8 -5.028 0.874 -5.443 86 H6 U 8 H6 U 8 -6.172 0.883 -7.559 87 1H5* G 9 1H5* G 9 -11.687 4.145 -9.624 88 2H5* G 9 2H5* G 9 -11.720 5.898 -9.361 89 H4* G 9 H4* G 9 -13.174 4.552 -7.796 90 H3* G 9 H3* G 9 -10.966 6.213 -6.551 91 H2* G 9 H2* G 9 -11.897 5.538 -4.407 92 2HO* G 9 2HO* G 9 -14.105 5.626 -5.377 93 H1* G 9 H1* G 9 -12.086 2.906 -5.068 94 H8 G 9 H8 G 9 -8.905 4.290 -6.700 95 H1 G 9 H1 G 9 -8.357 3.057 -0.419 96 1H2 G 9 1H2 G 9 -10.429 2.896 0.497 97 2H2 G 9 2H2 G 9 -11.851 2.820 -0.536 98 1H5* G 10 1H5* G 10 -14.802 7.073 -4.462 99 2H5* G 10 2H5* G 10 -14.809 8.731 -3.847 100 H4* G 10 H4* G 10 -15.107 6.839 -2.134 101 H3* G 10 H3* G 10 -12.967 8.943 -1.785 102 H2* G 10 H2* G 10 -12.413 7.903 0.323 103 2HO* G 10 2HO* G 10 -14.828 7.482 0.568 104 H1* G 10 H1* G 10 -12.543 5.323 -0.603 105 H8 G 10 H8 G 10 -10.854 7.143 -3.425 106 H1 G 10 H1 G 10 -7.021 6.034 1.612 107 1H2 G 10 1H2 G 10 -8.298 5.667 3.463 108 2H2 G 10 2H2 G 10 -10.052 5.567 3.342 109 1H5* U 11 1H5* U 11 -14.815 8.699 2.217 110 2H5* U 11 2H5* U 11 -15.027 10.373 2.775 111 H4* U 11 H4* U 11 -13.509 9.062 4.330 112 H3* U 11 H3* U 11 -12.163 11.288 2.812 113 H2* U 11 H2* U 11 -10.366 10.781 4.369 114 2HO* U 11 2HO* U 11 -11.445 10.370 6.253 115 H1* U 11 H1* U 11 -10.589 8.069 4.051 116 H3 U 11 H3 U 11 -6.643 9.333 2.189 117 H5 U 11 H5 U 11 -9.549 10.249 -0.734 118 H6 U 11 H6 U 11 -11.257 9.775 0.887 119 1H5* A 12 1H5* A 12 -12.741 12.397 7.178 120 2H5* A 12 2H5* A 12 -12.316 14.073 7.584 121 H4* A 12 H4* A 12 -10.784 12.185 8.471 122 H3* A 12 H3* A 12 -9.561 14.427 6.879 123 H2* A 12 H2* A 12 -7.447 13.372 7.289 124 2HO* A 12 2HO* A 12 -7.845 12.853 9.480 125 H1* A 12 H1* A 12 -8.411 10.771 6.743 126 H8 A 12 H8 A 12 -9.926 13.180 4.324 127 1H6 A 12 1H6 A 12 -4.858 12.546 0.870 128 2H6 A 12 2H6 A 12 -6.538 13.049 0.941 129 H2 A 12 H2 A 12 -3.871 11.141 5.029 130 1H5* U 13 1H5* U 13 -6.247 15.946 11.085 131 2H5* U 13 2H5* U 13 -6.340 16.498 9.415 132 H4* U 13 H4* U 13 -4.711 14.218 10.558 133 H3* U 13 H3* U 13 -4.363 16.645 8.793 134 H2* U 13 H2* U 13 -2.648 15.676 7.543 135 2HO* U 13 2HO* U 13 -1.639 13.747 8.144 136 H1* U 13 H1* U 13 -3.841 13.227 7.255 137 H3 U 13 H3 U 13 -4.397 15.050 3.130 138 H5 U 13 H5 U 13 -7.740 16.193 5.438 139 H6 U 13 H6 U 13 -6.500 15.600 7.403 140 1H5* C 14 1H5* C 14 -0.699 16.320 9.409 141 2H5* C 14 2H5* C 14 0.055 17.807 10.018 142 H4* C 14 H4* C 14 1.085 17.334 7.918 143 H3* C 14 H3* C 14 -1.052 19.428 7.466 144 H2* C 14 H2* C 14 -0.028 19.649 5.253 145 2HO* C 14 2HO* C 14 1.815 18.473 4.704 146 H1* C 14 H1* C 14 -0.167 16.961 4.871 147 1H4 C 14 1H4 C 14 -5.844 19.071 2.894 148 2H4 C 14 2H4 C 14 -6.478 19.082 4.526 149 H5 C 14 H5 C 14 -5.044 18.520 6.499 150 H6 C 14 H6 C 14 -2.838 17.954 7.182 151 1H5* A 15 1H5* A 15 0.011 22.826 6.189 152 2H5* A 15 2H5* A 15 1.100 21.460 5.854 153 H4* A 15 H4* A 15 1.519 24.417 5.558 154 H3* A 15 H3* A 15 0.915 22.513 3.724 155 H2* A 15 H2* A 15 2.565 20.947 4.264 156 2HO* A 15 2HO* A 15 4.010 20.958 2.578 157 H1* A 15 H1* A 15 4.685 23.034 4.430 158 H8 A 15 H8 A 15 3.049 20.395 6.747 159 1H6 A 15 1H6 A 15 8.828 18.405 7.726 160 2H6 A 15 2H6 A 15 7.121 18.169 8.090 161 H2 A 15 H2 A 15 9.020 21.859 4.896 162 1H5* C 16 1H5* C 16 1.105 22.308 0.855 163 2H5* C 16 2H5* C 16 1.114 23.781 -0.084 164 H4* C 16 H4* C 16 -0.195 22.150 -1.173 165 H3* C 16 H3* C 16 -1.324 24.612 -0.902 166 H2* C 16 H2* C 16 -2.309 24.221 1.224 167 2HO* C 16 2HO* C 16 -4.602 23.629 0.775 168 H1* C 16 H1* C 16 -3.409 21.584 0.316 169 1H4 C 16 1H4 C 16 -4.194 21.914 6.757 170 2H4 C 16 2H4 C 16 -2.471 21.674 6.986 171 H5 C 16 H5 C 16 -0.937 21.466 5.046 172 H6 C 16 H6 C 16 -0.722 21.572 2.690 173 1H5* G 17 1H5* G 17 -0.760 21.097 -4.585 174 2H5* G 17 2H5* G 17 -0.622 20.940 -2.836 175 H4* G 17 H4* G 17 1.663 21.598 -4.770 176 H3* G 17 H3* G 17 0.907 19.116 -3.188 177 H2* G 17 H2* G 17 3.167 18.667 -2.843 178 2HO* G 17 2HO* G 17 3.378 19.297 -5.281 179 H1* G 17 H1* G 17 4.023 21.378 -2.883 180 H8 G 17 H8 G 17 5.437 20.594 -0.818 181 H1 G 17 H1 G 17 0.221 18.452 2.238 182 1H2 G 17 1H2 G 17 -1.506 18.360 0.863 183 2H2 G 17 2H2 G 17 -1.385 18.958 -0.782 184 1H5* G 18 1H5* G 18 3.295 17.026 -4.534 185 2H5* G 18 2H5* G 18 2.785 15.366 -4.873 186 H4* G 18 H4* G 18 4.118 15.964 -2.663 187 H3* G 18 H3* G 18 1.719 14.127 -2.725 188 H2* G 18 H2* G 18 2.080 13.788 -0.369 189 2HO* G 18 2HO* G 18 4.492 13.932 -0.826 190 H1* G 18 H1* G 18 2.485 16.429 0.226 191 H8 G 18 H8 G 18 -0.225 16.091 -2.440 192 H1 G 18 H1 G 18 -2.252 14.586 3.477 193 1H2 G 18 1H2 G 18 -0.459 14.301 4.824 194 2H2 G 18 2H2 G 18 1.170 14.645 4.267 195 1H5* U 19 1H5* U 19 4.778 12.131 -0.310 196 2H5* U 19 2H5* U 19 4.667 10.381 -0.506 197 H4* U 19 H4* U 19 4.351 11.274 1.837 198 H3* U 19 H3* U 19 2.113 9.567 0.680 199 H2* U 19 H2* U 19 1.184 9.654 2.909 200 2HO* U 19 2HO* U 19 3.336 9.556 3.889 201 H1* U 19 H1* U 19 1.478 12.331 3.177 202 H3 U 19 H3 U 19 -2.998 11.566 2.298 203 H5 U 19 H5 U 19 -1.122 11.933 -1.455 204 H6 U 19 H6 U 19 0.984 11.856 -0.367 205 1H5* A 20 1H5* A 20 3.634 7.633 4.263 206 2H5* A 20 2H5* A 20 3.447 5.872 4.190 207 H4* A 20 H4* A 20 2.226 6.975 6.065 208 H3* A 20 H3* A 20 0.469 5.466 4.065 209 H2* A 20 H2* A 20 -1.314 5.955 5.533 210 2HO* A 20 2HO* A 20 0.311 5.887 7.422 211 H1* A 20 H1* A 20 -0.831 8.449 5.829 212 H8 A 20 H8 A 20 0.384 7.861 2.221 213 1H6 A 20 1H6 A 20 -5.394 8.961 0.440 214 2H6 A 20 2H6 A 20 -3.725 8.727 -0.014 215 H2 A 20 H2 A 20 -5.424 8.419 4.935 216 1H5* C 21 1H5* C 21 -0.967 4.607 7.666 217 2H5* C 21 2H5* C 21 -1.248 2.964 7.963 218 H4* C 21 H4* C 21 -3.280 4.261 8.287 219 H3* C 21 H3* C 21 -3.503 2.475 5.821 220 H2* C 21 H2* C 21 -5.747 3.285 5.663 221 2HO* C 21 2HO* C 21 -5.914 3.299 8.063 222 H1* C 21 H1* C 21 -5.061 5.905 6.008 223 1H4 C 21 1H4 C 21 -4.979 5.583 -0.222 224 2H4 C 21 2H4 C 21 -3.271 5.182 -0.252 225 H5 C 21 H5 C 21 -2.022 4.624 1.876 226 H6 C 21 H6 C 21 -2.223 4.485 4.250 227 1H5* C 22 1H5* C 22 -6.950 1.570 8.278 228 2H5* C 22 2H5* C 22 -7.445 -0.124 8.077 229 H4* C 22 H4* C 22 -9.152 1.598 7.319 230 H3* C 22 H3* C 22 -8.083 -0.385 5.285 231 H2* C 22 H2* C 22 -9.600 0.572 3.718 232 2HO* C 22 2HO* C 22 -11.169 0.797 5.608 233 H1* C 22 H1* C 22 -9.168 3.191 4.465 234 1H4 C 22 1H4 C 22 -5.778 2.487 -0.796 235 2H4 C 22 2H4 C 22 -4.384 1.885 0.077 236 H5 C 22 H5 C 22 -4.468 1.500 2.583 237 H6 C 22 H6 C 22 -5.888 1.549 4.500 238 1H5* U 23 1H5* U 23 -12.285 -0.540 4.593 239 2H5* U 23 2H5* U 23 -12.762 -2.203 4.215 240 H4* U 23 H4* U 23 -13.165 -0.552 2.365 241 H3* U 23 H3* U 23 -11.255 -2.838 1.812 242 H2* U 23 H2* U 23 -11.220 -2.054 -0.485 243 2HO* U 23 2HO* U 23 -13.539 -1.544 -0.379 244 H1* U 23 H1* U 23 -11.033 0.590 0.178 245 H3 U 23 H3 U 23 -6.956 -0.245 -1.569 246 H5 U 23 H5 U 23 -6.759 -1.834 2.327 247 H6 U 23 H6 U 23 -9.120 -1.454 2.548 248 1H5* U 24 1H5* U 24 -14.498 -2.731 -1.308 249 2H5* U 24 2H5* U 24 -14.780 -4.378 -1.892 250 H4* U 24 H4* U 24 -14.120 -2.728 -3.683 251 H3* U 24 H3* U 24 -12.284 -5.096 -3.200 252 H2* U 24 H2* U 24 -11.136 -4.374 -5.213 253 2HO* U 24 2HO* U 24 -13.315 -3.743 -6.109 254 H1* U 24 H1* U 24 -11.156 -1.713 -4.504 255 H3 U 24 H3 U 24 -6.792 -2.853 -4.140 256 H5 U 24 H5 U 24 -8.539 -4.433 -0.671 257 H6 U 24 H6 U 24 -10.728 -3.959 -1.598 258 1H5* U 25 1H5* U 25 -13.126 -5.164 -7.417 259 2H5* U 25 2H5* U 25 -13.263 -6.847 -7.949 260 H4* U 25 H4* U 25 -11.499 -5.596 -9.156 261 H3* U 25 H3* U 25 -10.487 -7.869 -7.398 262 H2* U 25 H2* U 25 -8.382 -7.510 -8.451 263 2HO* U 25 2HO* U 25 -9.504 -7.106 -10.532 264 H1* U 25 H1* U 25 -8.516 -4.761 -8.268 265 H3 U 25 H3 U 25 -5.283 -6.015 -5.296 266 H5 U 25 H5 U 25 -8.879 -6.713 -3.270 267 H6 U 25 H6 U 25 -10.080 -6.294 -5.328 268 1H5* G 26 1H5* G 26 -9.390 -9.043 -11.362 269 2H5* G 26 2H5* G 26 -9.399 -10.812 -11.507 270 H4* G 26 H4* G 26 -7.148 -9.735 -11.837 271 H3* G 26 H3* G 26 -7.436 -11.639 -9.492 272 H2* G 26 H2* G 26 -5.035 -11.400 -9.235 273 2HO* G 26 2HO* G 26 -4.811 -11.338 -11.629 274 H1* G 26 H1* G 26 -5.087 -8.662 -9.551 275 H8 G 26 H8 G 26 -8.121 -9.453 -7.448 276 H1 G 26 H1 G 26 -2.550 -9.856 -4.248 277 1H2 G 26 1H2 G 26 -0.829 -9.980 -5.759 278 2H2 G 26 2H2 G 26 -1.142 -9.831 -7.481 279 1H5* U 27 1H5* U 27 -4.071 -13.019 -12.052 280 2H5* U 27 2H5* U 27 -3.944 -14.783 -11.972 281 H4* U 27 H4* U 27 -1.869 -13.518 -11.294 282 H3* U 27 H3* U 27 -3.113 -15.317 -9.181 283 H2* U 27 H2* U 27 -1.122 -14.877 -7.932 284 2HO* U 27 2HO* U 27 0.274 -14.890 -9.809 285 H1* U 27 H1* U 27 -1.197 -12.190 -8.365 286 H3 U 27 H3 U 27 -2.342 -13.018 -3.994 287 H5 U 27 H5 U 27 -5.921 -13.371 -6.178 288 H6 U 27 H6 U 27 -4.638 -13.312 -8.206 289 1H5* G 28 1H5* G 28 1.084 -16.677 -9.922 290 2H5* G 28 2H5* G 28 1.303 -18.349 -9.378 291 H4* G 28 H4* G 28 2.672 -16.501 -8.215 292 H3* G 28 H3* G 28 1.083 -18.414 -6.534 293 H2* G 28 H2* G 28 2.065 -17.270 -4.628 294 2HO* G 28 2HO* G 28 3.633 -15.718 -4.846 295 H1* G 28 H1* G 28 1.478 -14.773 -5.561 296 H8 G 28 H8 G 28 -1.504 -16.627 -6.784 297 H1 G 28 H1 G 28 -1.578 -15.725 -0.429 298 1H2 G 28 1H2 G 28 0.539 -15.363 0.322 299 2H2 G 28 2H2 G 28 1.866 -15.162 -0.811 300 1H5* U 29 1H5* U 29 4.816 -18.294 -4.846 301 2H5* U 29 2H5* U 29 5.474 -19.876 -4.395 302 H4* U 29 H4* U 29 5.286 -18.388 -2.449 303 H3* U 29 H3* U 29 3.406 -20.779 -2.397 304 H2* U 29 H2* U 29 2.804 -20.134 -0.194 305 2HO* U 29 2HO* U 29 5.133 -19.387 0.104 306 H1* U 29 H1* U 29 2.474 -17.500 -0.796 307 H3 U 29 H3 U 29 -1.839 -19.116 -0.486 308 H5 U 29 H5 U 29 -0.659 -19.596 -4.489 309 H6 U 29 H6 U 29 1.552 -19.118 -3.871 310 1H5* C 30 1H5* C 30 5.629 -20.961 1.101 311 2H5* C 30 2H5* C 30 6.084 -22.626 1.498 312 H4* C 30 H4* C 30 4.759 -21.552 3.275 313 H3* C 30 H3* C 30 3.358 -23.830 1.815 314 H2* C 30 H2* C 30 1.651 -23.683 3.483 315 2HO* C 30 2HO* C 30 3.575 -23.206 5.049 316 H1* C 30 H1* C 30 1.745 -20.886 3.622 317 1H4 C 30 1H4 C 30 -3.406 -21.930 0.165 318 2H4 C 30 2H4 C 30 -2.492 -22.080 -1.324 319 H5 C 30 H5 C 30 0.052 -22.305 -1.267 320 H6 C 30 H6 C 30 1.969 -22.159 0.177 321 H3T C 30 HE C 30 4.235 -25.062 3.401 Start of MODEL 19 1 1H5* G 1 1H5* G 1 -11.093 -23.504 7.253 2 2H5* G 1 2H5* G 1 -11.383 -21.761 7.414 3 H4* G 1 H4* G 1 -9.327 -22.432 8.587 4 H3* G 1 H3* G 1 -8.901 -20.685 6.154 5 H2* G 1 H2* G 1 -6.592 -20.569 6.843 6 2HO* G 1 2HO* G 1 -7.359 -20.559 9.158 7 H1* G 1 H1* G 1 -6.370 -23.227 7.387 8 H8 G 1 H8 G 1 -8.570 -22.973 4.302 9 H1 G 1 H1 G 1 -2.338 -21.921 3.119 10 1H2 G 1 1H2 G 1 -1.246 -21.612 5.103 11 2H2 G 1 2H2 G 1 -2.093 -21.778 6.636 12 1H5* G 2 1H5* G 2 -6.777 -18.829 9.407 13 2H5* G 2 2H5* G 2 -6.886 -17.072 9.257 14 H4* G 2 H4* G 2 -4.517 -17.969 9.229 15 H3* G 2 H3* G 2 -5.436 -16.513 6.734 16 H2* G 2 H2* G 2 -3.124 -16.568 6.175 17 2HO* G 2 2HO* G 2 -2.499 -16.154 8.440 18 H1* G 2 H1* G 2 -2.764 -19.191 7.011 19 H8 G 2 H8 G 2 -5.992 -19.115 5.083 20 H1 G 2 H1 G 2 -0.804 -18.260 1.342 21 1H2 G 2 1H2 G 2 1.002 -17.989 2.619 22 2H2 G 2 2H2 G 2 0.903 -18.030 4.376 23 1H5* C 3 1H5* C 3 -2.224 -14.435 8.669 24 2H5* C 3 2H5* C 3 -2.110 -12.716 8.273 25 H4* C 3 H4* C 3 -0.210 -14.317 7.579 26 H3* C 3 H3* C 3 -1.494 -12.439 5.534 27 H2* C 3 H2* C 3 0.198 -13.126 3.995 28 2HO* C 3 2HO* C 3 1.785 -13.144 5.819 29 H1* C 3 H1* C 3 -0.004 -15.782 4.631 30 1H4 C 3 1H4 C 3 -3.888 -15.589 -0.313 31 2H4 C 3 2H4 C 3 -5.248 -15.254 0.735 32 H5 C 3 H5 C 3 -4.962 -14.702 3.153 33 H6 C 3 H6 C 3 -3.366 -14.491 4.910 34 1H5* A 4 1H5* A 4 2.584 -11.121 5.550 35 2H5* A 4 2H5* A 4 2.656 -9.375 5.240 36 H4* A 4 H4* A 4 3.756 -10.814 3.494 37 H3* A 4 H3* A 4 1.416 -9.100 2.591 38 H2* A 4 H2* A 4 1.944 -9.807 0.370 39 2HO* A 4 2HO* A 4 4.277 -9.676 0.845 40 H1* A 4 H1* A 4 2.296 -12.443 1.053 41 H8 A 4 H8 A 4 -0.646 -11.210 3.092 42 1H6 A 4 1H6 A 4 -4.030 -12.717 -1.892 43 2H6 A 4 2H6 A 4 -4.058 -12.303 -0.183 44 H2 A 4 H2 A 4 0.267 -12.570 -3.128 45 1H5* C 5 1H5* C 5 4.837 -7.714 0.110 46 2H5* C 5 2H5* C 5 4.548 -6.033 -0.381 47 H4* C 5 H4* C 5 4.617 -7.750 -2.259 48 H3* C 5 H3* C 5 2.061 -6.141 -1.931 49 H2* C 5 H2* C 5 1.359 -7.219 -3.980 50 2HO* C 5 2HO* C 5 3.686 -7.103 -4.724 51 H1* C 5 H1* C 5 2.186 -9.721 -3.194 52 1H4 C 5 1H4 C 5 -4.038 -9.269 -1.931 53 2H4 C 5 2H4 C 5 -3.726 -8.500 -0.391 54 H5 C 5 H5 C 5 -1.395 -7.953 0.381 55 H6 C 5 H6 C 5 0.904 -7.907 -0.291 56 1H5* U 6 1H5* U 6 2.858 -5.812 -6.022 57 2H5* U 6 2H5* U 6 2.488 -4.223 -6.689 58 H4* U 6 H4* U 6 1.215 -6.154 -7.705 59 H3* U 6 H3* U 6 -0.364 -3.913 -6.430 60 H2* U 6 H2* U 6 -2.380 -5.044 -7.030 61 2HO* U 6 2HO* U 6 -1.261 -5.676 -9.096 62 H1* U 6 H1* U 6 -1.552 -7.547 -6.348 63 H3 U 6 H3 U 6 -4.756 -6.255 -3.325 64 H5 U 6 H5 U 6 -1.049 -5.169 -1.663 65 H6 U 6 H6 U 6 -0.030 -5.567 -3.774 66 1H5* C 7 1H5* C 7 -1.129 -3.234 -10.765 67 2H5* C 7 2H5* C 7 -1.284 -1.518 -11.188 68 H4* C 7 H4* C 7 -3.519 -2.680 -10.798 69 H3* C 7 H3* C 7 -2.744 -0.480 -8.852 70 H2* C 7 H2* C 7 -4.917 -0.712 -7.957 71 2HO* C 7 2HO* C 7 -6.068 -0.696 -9.906 72 H1* C 7 H1* C 7 -5.036 -3.511 -8.498 73 1H4 C 7 1H4 C 7 -4.799 -2.953 -2.212 74 2H4 C 7 2H4 C 7 -3.060 -2.707 -2.176 75 H5 C 7 H5 C 7 -1.737 -2.541 -4.382 76 H6 C 7 H6 C 7 -1.998 -2.461 -6.765 77 1H5* U 8 1H5* U 8 -6.540 0.302 -11.607 78 2H5* U 8 2H5* U 8 -6.657 2.066 -11.764 79 H4* U 8 H4* U 8 -8.838 0.978 -11.197 80 H3* U 8 H3* U 8 -7.671 2.900 -9.160 81 H2* U 8 H2* U 8 -9.754 2.654 -7.972 82 2HO* U 8 2HO* U 8 -10.904 2.633 -10.083 83 H1* U 8 H1* U 8 -9.922 -0.074 -8.329 84 H3 U 8 H3 U 8 -9.167 0.400 -3.851 85 H5 U 8 H5 U 8 -5.378 0.808 -5.648 86 H6 U 8 H6 U 8 -6.454 0.940 -7.795 87 1H5* G 9 1H5* G 9 -11.736 4.505 -10.014 88 2H5* G 9 2H5* G 9 -11.690 6.260 -9.757 89 H4* G 9 H4* G 9 -13.249 5.003 -8.220 90 H3* G 9 H3* G 9 -10.975 6.547 -6.946 91 H2* G 9 H2* G 9 -11.954 5.931 -4.809 92 2HO* G 9 2HO* G 9 -14.147 6.142 -5.812 93 H1* G 9 H1* G 9 -12.304 3.311 -5.466 94 H8 G 9 H8 G 9 -9.019 4.507 -7.055 95 H1 G 9 H1 G 9 -8.618 3.153 -0.791 96 1H2 G 9 1H2 G 9 -10.704 3.133 0.109 97 2H2 G 9 2H2 G 9 -12.117 3.161 -0.939 98 1H5* G 10 1H5* G 10 -14.755 7.656 -4.882 99 2H5* G 10 2H5* G 10 -14.661 9.331 -4.320 100 H4* G 10 H4* G 10 -15.062 7.557 -2.531 101 H3* G 10 H3* G 10 -12.697 9.429 -2.293 102 H2* G 10 H2* G 10 -12.269 8.412 -0.138 103 2HO* G 10 2HO* G 10 -14.682 8.279 0.164 104 H1* G 10 H1* G 10 -12.660 5.839 -0.987 105 H8 G 10 H8 G 10 -10.807 7.487 -3.836 106 H1 G 10 H1 G 10 -7.085 6.078 1.212 107 1H2 G 10 1H2 G 10 -8.391 5.810 3.057 108 2H2 G 10 2H2 G 10 -10.147 5.789 2.918 109 1H5* U 11 1H5* U 11 -14.789 9.533 1.632 110 2H5* U 11 2H5* U 11 -14.710 11.190 2.261 111 H4* U 11 H4* U 11 -13.597 9.466 3.779 112 H3* U 11 H3* U 11 -11.834 11.644 2.674 113 H2* U 11 H2* U 11 -10.208 10.707 4.200 114 2HO* U 11 2HO* U 11 -11.709 10.299 5.902 115 H1* U 11 H1* U 11 -10.703 8.117 3.522 116 H3 U 11 H3 U 11 -6.592 9.286 1.937 117 H5 U 11 H5 U 11 -9.318 10.638 -0.985 118 H6 U 11 H6 U 11 -11.105 10.178 0.540 119 1H5* A 12 1H5* A 12 -12.867 12.693 6.998 120 2H5* A 12 2H5* A 12 -12.301 14.296 7.500 121 H4* A 12 H4* A 12 -10.921 12.259 8.255 122 H3* A 12 H3* A 12 -9.578 14.505 6.768 123 H2* A 12 H2* A 12 -7.521 13.344 7.168 124 2HO* A 12 2HO* A 12 -7.974 12.768 9.335 125 H1* A 12 H1* A 12 -8.569 10.820 6.531 126 H8 A 12 H8 A 12 -9.967 13.349 4.170 127 1H6 A 12 1H6 A 12 -4.874 12.595 0.760 128 2H6 A 12 2H6 A 12 -6.532 13.173 0.818 129 H2 A 12 H2 A 12 -4.006 11.050 4.891 130 1H5* U 13 1H5* U 13 -6.289 15.645 11.143 131 2H5* U 13 2H5* U 13 -6.313 16.308 9.511 132 H4* U 13 H4* U 13 -4.819 13.890 10.546 133 H3* U 13 H3* U 13 -4.333 16.369 8.884 134 H2* U 13 H2* U 13 -2.631 15.370 7.641 135 2HO* U 13 2HO* U 13 -1.736 13.369 8.186 136 H1* U 13 H1* U 13 -3.941 12.996 7.232 137 H3 U 13 H3 U 13 -4.334 14.971 3.166 138 H5 U 13 H5 U 13 -7.637 16.245 5.458 139 H6 U 13 H6 U 13 -6.471 15.522 7.425 140 1H5* C 14 1H5* C 14 -0.681 15.922 9.600 141 2H5* C 14 2H5* C 14 0.082 17.382 10.262 142 H4* C 14 H4* C 14 1.158 16.931 8.180 143 H3* C 14 H3* C 14 -0.929 19.069 7.703 144 H2* C 14 H2* C 14 0.187 19.320 5.528 145 2HO* C 14 2HO* C 14 1.983 18.037 5.010 146 H1* C 14 H1* C 14 -0.017 16.637 5.094 147 1H4 C 14 1H4 C 14 -5.534 19.069 3.008 148 2H4 C 14 2H4 C 14 -6.224 19.049 4.617 149 H5 C 14 H5 C 14 -4.888 18.333 6.614 150 H6 C 14 H6 C 14 -2.733 17.648 7.346 151 1H5* A 15 1H5* A 15 0.250 22.442 6.418 152 2H5* A 15 2H5* A 15 1.336 21.059 6.149 153 H4* A 15 H4* A 15 1.827 24.011 5.864 154 H3* A 15 H3* A 15 1.259 22.119 3.997 155 H2* A 15 H2* A 15 2.868 20.516 4.626 156 2HO* A 15 2HO* A 15 3.754 22.264 2.648 157 H1* A 15 H1* A 15 4.942 22.681 4.814 158 H8 A 15 H8 A 15 4.025 19.153 5.834 159 1H6 A 15 1H6 A 15 9.141 19.183 9.302 160 2H6 A 15 2H6 A 15 7.805 18.220 8.677 161 H2 A 15 H2 A 15 8.519 23.327 7.767 162 1H5* C 16 1H5* C 16 1.441 21.891 1.178 163 2H5* C 16 2H5* C 16 1.680 23.351 0.248 164 H4* C 16 H4* C 16 0.253 21.940 -0.939 165 H3* C 16 H3* C 16 -0.624 24.492 -0.604 166 H2* C 16 H2* C 16 -1.771 24.158 1.458 167 2HO* C 16 2HO* C 16 -3.402 23.916 -0.792 168 H1* C 16 H1* C 16 -3.090 21.682 0.423 169 1H4 C 16 1H4 C 16 -3.984 21.683 6.842 170 2H4 C 16 2H4 C 16 -2.276 21.389 7.110 171 H5 C 16 H5 C 16 -0.705 21.160 5.190 172 H6 C 16 H6 C 16 -0.428 21.387 2.850 173 1H5* G 17 1H5* G 17 -0.167 21.160 -4.427 174 2H5* G 17 2H5* G 17 -0.219 20.915 -2.683 175 H4* G 17 H4* G 17 2.278 21.524 -4.347 176 H3* G 17 H3* G 17 1.290 19.024 -2.916 177 H2* G 17 H2* G 17 3.530 18.469 -2.509 178 2HO* G 17 2HO* G 17 3.866 19.191 -4.900 179 H1* G 17 H1* G 17 4.448 21.171 -2.402 180 H8 G 17 H8 G 17 5.827 20.196 -0.415 181 H1 G 17 H1 G 17 0.553 18.057 2.542 182 1H2 G 17 1H2 G 17 -1.193 18.206 1.219 183 2H2 G 17 2H2 G 17 -1.069 18.918 -0.380 184 1H5* G 18 1H5* G 18 3.634 16.901 -4.254 185 2H5* G 18 2H5* G 18 3.087 15.273 -4.675 186 H4* G 18 H4* G 18 4.340 15.749 -2.389 187 H3* G 18 H3* G 18 1.883 14.001 -2.620 188 H2* G 18 H2* G 18 2.142 13.562 -0.267 189 2HO* G 18 2HO* G 18 4.575 13.633 -0.626 190 H1* G 18 H1* G 18 2.635 16.159 0.444 191 H8 G 18 H8 G 18 -0.017 16.044 -2.292 192 H1 G 18 H1 G 18 -2.234 14.396 3.519 193 1H2 G 18 1H2 G 18 -0.487 13.983 4.890 194 2H2 G 18 2H2 G 18 1.166 14.280 4.379 195 1H5* U 19 1H5* U 19 4.816 11.844 -0.180 196 2H5* U 19 2H5* U 19 4.662 10.103 -0.422 197 H4* U 19 H4* U 19 4.304 10.967 1.937 198 H3* U 19 H3* U 19 2.095 9.303 0.671 199 H2* U 19 H2* U 19 1.086 9.358 2.865 200 2HO* U 19 2HO* U 19 3.171 9.192 3.940 201 H1* U 19 H1* U 19 1.418 12.022 3.219 202 H3 U 19 H3 U 19 -3.054 11.466 2.232 203 H5 U 19 H5 U 19 -1.088 11.835 -1.472 204 H6 U 19 H6 U 19 0.993 11.620 -0.348 205 1H5* A 20 1H5* A 20 3.566 7.192 4.214 206 2H5* A 20 2H5* A 20 3.316 5.441 4.086 207 H4* A 20 H4* A 20 2.092 6.546 5.963 208 H3* A 20 H3* A 20 0.318 5.157 3.892 209 H2* A 20 H2* A 20 -1.470 5.695 5.330 210 2HO* A 20 2HO* A 20 0.092 5.512 7.257 211 H1* A 20 H1* A 20 -0.894 8.157 5.689 212 H8 A 20 H8 A 20 0.359 7.512 2.099 213 1H6 A 20 1H6 A 20 -5.296 8.972 0.209 214 2H6 A 20 2H6 A 20 -3.644 8.593 -0.215 215 H2 A 20 H2 A 20 -5.440 8.464 4.708 216 1H5* C 21 1H5* C 21 -1.219 4.290 7.483 217 2H5* C 21 2H5* C 21 -1.646 2.665 7.708 218 H4* C 21 H4* C 21 -3.561 4.130 8.043 219 H3* C 21 H3* C 21 -3.887 2.403 5.549 220 H2* C 21 H2* C 21 -6.071 3.373 5.395 221 2HO* C 21 2HO* C 21 -6.232 3.383 7.802 222 H1* C 21 H1* C 21 -5.202 5.927 5.754 223 1H4 C 21 1H4 C 21 -5.089 5.537 -0.491 224 2H4 C 21 2H4 C 21 -3.408 5.034 -0.493 225 H5 C 21 H5 C 21 -2.213 4.437 1.649 226 H6 C 21 H6 C 21 -2.437 4.336 4.021 227 1H5* C 22 1H5* C 22 -7.402 1.827 7.986 228 2H5* C 22 2H5* C 22 -8.063 0.190 7.807 229 H4* C 22 H4* C 22 -9.597 2.069 7.040 230 H3* C 22 H3* C 22 -8.746 -0.056 5.049 231 H2* C 22 H2* C 22 -10.186 1.009 3.462 232 2HO* C 22 2HO* C 22 -11.690 1.454 5.372 233 H1* C 22 H1* C 22 -9.463 3.582 4.121 234 1H4 C 22 1H4 C 22 -6.136 2.465 -1.088 235 2H4 C 22 2H4 C 22 -4.799 1.774 -0.195 236 H5 C 22 H5 C 22 -4.914 1.492 2.330 237 H6 C 22 H6 C 22 -6.341 1.680 4.229 238 1H5* U 23 1H5* U 23 -12.865 0.155 4.221 239 2H5* U 23 2H5* U 23 -13.483 -1.486 3.970 240 H4* U 23 H4* U 23 -13.721 -0.050 1.959 241 H3* U 23 H3* U 23 -11.812 -2.393 1.689 242 H2* U 23 H2* U 23 -11.712 -1.821 -0.669 243 2HO* U 23 2HO* U 23 -14.039 -1.270 -0.644 244 H1* U 23 H1* U 23 -11.506 0.870 -0.223 245 H3 U 23 H3 U 23 -7.415 -0.245 -1.791 246 H5 U 23 H5 U 23 -7.375 -1.568 2.210 247 H6 U 23 H6 U 23 -9.718 -1.042 2.353 248 1H5* U 24 1H5* U 24 -14.913 -2.542 -1.512 249 2H5* U 24 2H5* U 24 -15.198 -4.227 -1.968 250 H4* U 24 H4* U 24 -14.479 -2.731 -3.867 251 H3* U 24 H3* U 24 -12.677 -5.067 -3.152 252 H2* U 24 H2* U 24 -11.504 -4.535 -5.207 253 2HO* U 24 2HO* U 24 -13.666 -4.001 -6.187 254 H1* U 24 H1* U 24 -11.546 -1.800 -4.741 255 H3 U 24 H3 U 24 -7.163 -2.898 -4.317 256 H5 U 24 H5 U 24 -8.897 -4.350 -0.788 257 H6 U 24 H6 U 24 -11.094 -3.858 -1.699 258 1H5* U 25 1H5* U 25 -13.649 -5.587 -7.342 259 2H5* U 25 2H5* U 25 -13.789 -7.319 -7.684 260 H4* U 25 H4* U 25 -12.071 -6.193 -9.071 261 H3* U 25 H3* U 25 -10.965 -8.254 -7.116 262 H2* U 25 H2* U 25 -8.907 -7.971 -8.283 263 2HO* U 25 2HO* U 25 -10.076 -7.803 -10.356 264 H1* U 25 H1* U 25 -9.078 -5.227 -8.356 265 H3 U 25 H3 U 25 -5.740 -6.201 -5.381 266 H5 U 25 H5 U 25 -9.271 -6.803 -3.207 267 H6 U 25 H6 U 25 -10.534 -6.523 -5.246 268 1H5* G 26 1H5* G 26 -9.968 -9.732 -11.022 269 2H5* G 26 2H5* G 26 -9.862 -11.503 -11.019 270 H4* G 26 H4* G 26 -7.719 -10.275 -11.566 271 H3* G 26 H3* G 26 -7.745 -12.106 -9.151 272 H2* G 26 H2* G 26 -5.364 -11.675 -8.986 273 2HO* G 26 2HO* G 26 -5.242 -11.672 -11.394 274 H1* G 26 H1* G 26 -5.608 -8.968 -9.377 275 H8 G 26 H8 G 26 -8.567 -9.811 -7.189 276 H1 G 26 H1 G 26 -2.928 -9.884 -4.084 277 1H2 G 26 1H2 G 26 -1.226 -9.976 -5.622 278 2H2 G 26 2H2 G 26 -1.583 -9.901 -7.340 279 1H5* U 27 1H5* U 27 -4.349 -13.251 -11.820 280 2H5* U 27 2H5* U 27 -4.088 -15.000 -11.733 281 H4* U 27 H4* U 27 -2.085 -13.576 -11.147 282 H3* U 27 H3* U 27 -3.111 -15.459 -8.993 283 H2* U 27 H2* U 27 -1.128 -14.867 -7.802 284 2HO* U 27 2HO* U 27 0.217 -14.787 -9.709 285 H1* U 27 H1* U 27 -1.406 -12.193 -8.238 286 H3 U 27 H3 U 27 -2.371 -13.032 -3.833 287 H5 U 27 H5 U 27 -5.975 -13.665 -5.910 288 H6 U 27 H6 U 27 -4.753 -13.554 -7.973 289 1H5* G 28 1H5* G 28 1.147 -16.520 -9.852 290 2H5* G 28 2H5* G 28 1.482 -18.180 -9.330 291 H4* G 28 H4* G 28 2.761 -16.275 -8.173 292 H3* G 28 H3* G 28 1.294 -18.260 -6.465 293 H2* G 28 H2* G 28 2.272 -17.066 -4.583 294 2HO* G 28 2HO* G 28 3.762 -15.450 -4.841 295 H1* G 28 H1* G 28 1.532 -14.608 -5.502 296 H8 G 28 H8 G 28 -1.358 -16.650 -6.663 297 H1 G 28 H1 G 28 -1.380 -15.698 -0.315 298 1H2 G 28 1H2 G 28 0.723 -15.182 0.392 299 2H2 G 28 2H2 G 28 2.015 -14.918 -0.768 300 1H5* U 29 1H5* U 29 5.069 -17.987 -4.888 301 2H5* U 29 2H5* U 29 5.801 -19.540 -4.447 302 H4* U 29 H4* U 29 5.609 -18.052 -2.502 303 H3* U 29 H3* U 29 3.812 -20.501 -2.394 304 H2* U 29 H2* U 29 3.253 -19.862 -0.175 305 2HO* U 29 2HO* U 29 5.550 -19.039 0.076 306 H1* U 29 H1* U 29 2.802 -17.250 -0.786 307 H3 U 29 H3 U 29 -1.410 -19.115 -0.332 308 H5 U 29 H5 U 29 -0.333 -19.523 -4.371 309 H6 U 29 H6 U 29 1.864 -18.922 -3.824 310 1H5* C 30 1H5* C 30 6.208 -20.545 1.037 311 2H5* C 30 2H5* C 30 6.691 -22.186 1.496 312 H4* C 30 H4* C 30 5.392 -20.979 3.252 313 H3* C 30 H3* C 30 4.103 -23.460 2.041 314 H2* C 30 H2* C 30 2.375 -23.244 3.658 315 2HO* C 30 2HO* C 30 2.603 -21.841 5.447 316 H1* C 30 H1* C 30 2.333 -20.429 3.581 317 1H4 C 30 1H4 C 30 -2.819 -22.031 0.366 318 2H4 C 30 2H4 C 30 -1.929 -22.194 -1.136 319 H5 C 30 H5 C 30 0.618 -22.252 -1.142 320 H6 C 30 H6 C 30 2.561 -21.909 0.233 321 H3T C 30 HE C 30 5.085 -23.165 4.637 Start of MODEL 20 1 1H5* G 1 1H5* G 1 -11.542 -22.323 6.057 2 2H5* G 1 2H5* G 1 -11.243 -20.590 6.287 3 H4* G 1 H4* G 1 -9.646 -21.934 7.564 4 H3* G 1 H3* G 1 -8.423 -20.439 5.225 5 H2* G 1 H2* G 1 -6.285 -21.090 6.181 6 2HO* G 1 2HO* G 1 -7.144 -20.889 8.396 7 H1* G 1 H1* G 1 -6.994 -23.686 6.410 8 H8 G 1 H8 G 1 -8.917 -22.680 3.358 9 H1 G 1 H1 G 1 -2.584 -22.505 2.283 10 1H2 G 1 1H2 G 1 -1.475 -22.782 4.252 11 2H2 G 1 2H2 G 1 -2.346 -23.121 5.742 12 1H5* G 2 1H5* G 2 -6.347 -19.270 8.824 13 2H5* G 2 2H5* G 2 -5.805 -17.594 8.739 14 H4* G 2 H4* G 2 -4.039 -19.435 9.158 15 H3* G 2 H3* G 2 -3.644 -17.402 6.976 16 H2* G 2 H2* G 2 -1.541 -18.404 6.480 17 2HO* G 2 2HO* G 2 -1.282 -18.899 8.833 18 H1* G 2 H1* G 2 -2.508 -20.938 6.391 19 H8 G 2 H8 G 2 -5.543 -19.577 4.939 20 H1 G 2 H1 G 2 -0.539 -18.545 1.057 21 1H2 G 2 1H2 G 2 1.370 -18.721 2.210 22 2H2 G 2 2H2 G 2 1.374 -19.063 3.938 23 1H5* C 3 1H5* C 3 -3.085 -13.417 8.124 24 2H5* C 3 2H5* C 3 -3.833 -14.008 6.648 25 H4* C 3 H4* C 3 -1.120 -14.839 7.789 26 H3* C 3 H3* C 3 -2.105 -13.158 5.462 27 H2* C 3 H2* C 3 -0.113 -13.707 4.271 28 2HO* C 3 2HO* C 3 1.036 -13.732 6.456 29 H1* C 3 H1* C 3 -0.321 -16.370 4.761 30 1H4 C 3 1H4 C 3 -3.866 -15.671 -0.500 31 2H4 C 3 2H4 C 3 -5.295 -15.545 0.496 32 H5 C 3 H5 C 3 -5.207 -15.431 2.963 33 H6 C 3 H6 C 3 -3.746 -15.441 4.866 34 1H5* A 4 1H5* A 4 1.797 -11.720 6.030 35 2H5* A 4 2H5* A 4 1.880 -9.954 5.866 36 H4* A 4 H4* A 4 3.257 -11.191 4.179 37 H3* A 4 H3* A 4 0.948 -9.522 3.134 38 H2* A 4 H2* A 4 1.716 -10.049 0.931 39 2HO* A 4 2HO* A 4 3.988 -9.867 1.703 40 H1* A 4 H1* A 4 2.129 -12.703 1.432 41 H8 A 4 H8 A 4 -1.024 -11.756 3.311 42 1H6 A 4 1H6 A 4 -3.982 -12.851 -2.017 43 2H6 A 4 2H6 A 4 -4.125 -12.580 -0.287 44 H2 A 4 H2 A 4 0.415 -12.603 -2.901 45 1H5* C 5 1H5* C 5 4.515 -7.946 1.056 46 2H5* C 5 2H5* C 5 4.261 -6.239 0.645 47 H4* C 5 H4* C 5 4.510 -7.830 -1.326 48 H3* C 5 H3* C 5 1.945 -6.226 -1.105 49 H2* C 5 H2* C 5 1.368 -7.180 -3.245 50 2HO* C 5 2HO* C 5 3.753 -7.036 -3.813 51 H1* C 5 H1* C 5 2.147 -9.731 -2.600 52 1H4 C 5 1H4 C 5 -4.152 -9.370 -1.705 53 2H4 C 5 2H4 C 5 -3.937 -8.762 -0.079 54 H5 C 5 H5 C 5 -1.661 -8.272 0.875 55 H6 C 5 H6 C 5 0.667 -8.163 0.352 56 1H5* U 6 1H5* U 6 2.975 -5.699 -5.138 57 2H5* U 6 2H5* U 6 2.640 -4.071 -5.730 58 H4* U 6 H4* U 6 1.386 -5.937 -6.890 59 H3* U 6 H3* U 6 -0.211 -3.743 -5.558 60 H2* U 6 H2* U 6 -2.219 -4.812 -6.287 61 2HO* U 6 2HO* U 6 -1.054 -5.358 -8.344 62 H1* U 6 H1* U 6 -1.447 -7.349 -5.696 63 H3 U 6 H3 U 6 -4.753 -6.181 -2.755 64 H5 U 6 H5 U 6 -1.109 -5.203 -0.892 65 H6 U 6 H6 U 6 -0.009 -5.505 -2.979 66 1H5* C 7 1H5* C 7 -0.725 -2.922 -9.928 67 2H5* C 7 2H5* C 7 -0.886 -1.202 -10.331 68 H4* C 7 H4* C 7 -3.115 -2.416 -10.053 69 H3* C 7 H3* C 7 -2.461 -0.186 -8.099 70 H2* C 7 H2* C 7 -4.662 -0.446 -7.285 71 2HO* C 7 2HO* C 7 -5.733 -0.459 -9.284 72 H1* C 7 H1* C 7 -4.733 -3.248 -7.826 73 1H4 C 7 1H4 C 7 -4.841 -2.873 -1.546 74 2H4 C 7 2H4 C 7 -3.097 -2.712 -1.411 75 H5 C 7 H5 C 7 -1.659 -2.467 -3.535 76 H6 C 7 H6 C 7 -1.790 -2.274 -5.920 77 1H5* U 8 1H5* U 8 -6.124 0.446 -11.071 78 2H5* U 8 2H5* U 8 -6.279 2.201 -11.283 79 H4* U 8 H4* U 8 -8.463 1.081 -10.821 80 H3* U 8 H3* U 8 -7.459 3.058 -8.750 81 H2* U 8 H2* U 8 -9.594 2.783 -7.672 82 2HO* U 8 2HO* U 8 -10.598 2.676 -9.875 83 H1* U 8 H1* U 8 -9.678 0.048 -7.972 84 H3 U 8 H3 U 8 -9.116 0.651 -3.478 85 H5 U 8 H5 U 8 -5.267 1.073 -5.132 86 H6 U 8 H6 U 8 -6.259 1.152 -7.319 87 1H5* G 9 1H5* G 9 -11.499 4.546 -9.740 88 2H5* G 9 2H5* G 9 -11.489 6.306 -9.524 89 H4* G 9 H4* G 9 -13.068 5.080 -7.999 90 H3* G 9 H3* G 9 -10.824 6.634 -6.682 91 H2* G 9 H2* G 9 -11.882 6.056 -4.571 92 2HO* G 9 2HO* G 9 -14.038 6.266 -5.629 93 H1* G 9 H1* G 9 -12.213 3.428 -5.203 94 H8 G 9 H8 G 9 -8.877 4.629 -6.687 95 H1 G 9 H1 G 9 -8.703 3.309 -0.402 96 1H2 G 9 1H2 G 9 -10.821 3.251 0.412 97 2H2 G 9 2H2 G 9 -12.193 3.262 -0.690 98 1H5* G 10 1H5* G 10 -14.685 7.808 -4.793 99 2H5* G 10 2H5* G 10 -14.596 9.483 -4.231 100 H4* G 10 H4* G 10 -15.101 7.712 -2.461 101 H3* G 10 H3* G 10 -12.749 9.581 -2.112 102 H2* G 10 H2* G 10 -12.402 8.558 0.054 103 2HO* G 10 2HO* G 10 -14.839 8.421 0.235 104 H1* G 10 H1* G 10 -12.761 5.983 -0.808 105 H8 G 10 H8 G 10 -10.809 7.639 -3.591 106 H1 G 10 H1 G 10 -7.258 6.196 1.565 107 1H2 G 10 1H2 G 10 -8.619 5.942 3.369 108 2H2 G 10 2H2 G 10 -10.371 5.945 3.185 109 1H5* U 11 1H5* U 11 -14.879 9.683 1.771 110 2H5* U 11 2H5* U 11 -14.853 11.358 2.356 111 H4* U 11 H4* U 11 -13.685 9.743 3.941 112 H3* U 11 H3* U 11 -11.959 11.877 2.707 113 H2* U 11 H2* U 11 -10.321 11.030 4.280 114 2HO* U 11 2HO* U 11 -11.773 10.702 6.018 115 H1* U 11 H1* U 11 -10.814 8.404 3.745 116 H3 U 11 H3 U 11 -6.699 9.429 2.101 117 H5 U 11 H5 U 11 -9.399 10.710 -0.876 118 H6 U 11 H6 U 11 -11.199 10.340 0.669 119 1H5* A 12 1H5* A 12 -12.920 13.049 7.000 120 2H5* A 12 2H5* A 12 -12.376 14.675 7.454 121 H4* A 12 H4* A 12 -10.986 12.684 8.302 122 H3* A 12 H3* A 12 -9.626 14.862 6.724 123 H2* A 12 H2* A 12 -7.578 13.716 7.177 124 2HO* A 12 2HO* A 12 -8.054 13.244 9.372 125 H1* A 12 H1* A 12 -8.647 11.164 6.643 126 H8 A 12 H8 A 12 -10.020 13.603 4.178 127 1H6 A 12 1H6 A 12 -4.956 12.635 0.786 128 2H6 A 12 2H6 A 12 -6.611 13.224 0.824 129 H2 A 12 H2 A 12 -4.076 11.286 4.983 130 1H5* U 13 1H5* U 13 -6.399 16.357 10.990 131 2H5* U 13 2H5* U 13 -6.430 16.886 9.311 132 H4* U 13 H4* U 13 -4.893 14.595 10.541 133 H3* U 13 H3* U 13 -4.435 16.951 8.694 134 H2* U 13 H2* U 13 -2.696 15.865 7.545 135 2HO* U 13 2HO* U 13 -2.105 14.881 9.769 136 H1* U 13 H1* U 13 -3.966 13.452 7.315 137 H3 U 13 H3 U 13 -4.406 15.092 3.101 138 H5 U 13 H5 U 13 -7.710 16.524 5.298 139 H6 U 13 H6 U 13 -6.530 15.969 7.312 140 1H5* C 14 1H5* C 14 -0.768 16.627 9.523 141 2H5* C 14 2H5* C 14 -0.048 18.153 10.074 142 H4* C 14 H4* C 14 1.070 17.535 8.063 143 H3* C 14 H3* C 14 -1.014 19.636 7.384 144 H2* C 14 H2* C 14 0.094 19.644 5.172 145 2HO* C 14 2HO* C 14 2.167 19.169 6.451 146 H1* C 14 H1* C 14 0.012 16.935 5.005 147 1H4 C 14 1H4 C 14 -5.507 19.026 2.536 148 2H4 C 14 2H4 C 14 -6.232 19.184 4.120 149 H5 C 14 H5 C 14 -4.935 18.718 6.215 150 H6 C 14 H6 C 14 -2.787 18.141 7.067 151 1H5* A 15 1H5* A 15 0.295 22.804 5.638 152 2H5* A 15 2H5* A 15 1.321 21.357 5.446 153 H4* A 15 H4* A 15 1.900 24.255 4.905 154 H3* A 15 H3* A 15 1.037 22.310 3.236 155 H2* A 15 H2* A 15 2.632 20.664 3.734 156 2HO* A 15 2HO* A 15 3.342 22.299 1.596 157 H1* A 15 H1* A 15 4.824 22.737 3.610 158 H8 A 15 H8 A 15 3.905 19.250 4.683 159 1H6 A 15 1H6 A 15 9.400 19.047 7.498 160 2H6 A 15 2H6 A 15 7.984 18.135 6.979 161 H2 A 15 H2 A 15 8.655 23.281 6.282 162 1H5* C 16 1H5* C 16 1.374 21.643 0.375 163 2H5* C 16 2H5* C 16 1.387 22.952 -0.758 164 H4* C 16 H4* C 16 0.136 21.139 -1.596 165 H3* C 16 H3* C 16 -1.030 23.571 -1.891 166 H2* C 16 H2* C 16 -1.969 23.681 0.368 167 2HO* C 16 2HO* C 16 -3.780 22.837 -1.594 168 H1* C 16 H1* C 16 -3.192 20.953 -0.062 169 1H4 C 16 1H4 C 16 -4.043 22.202 6.234 170 2H4 C 16 2H4 C 16 -2.324 21.968 6.515 171 H5 C 16 H5 C 16 -0.782 21.462 4.657 172 H6 C 16 H6 C 16 -0.539 21.224 2.302 173 1H5* G 17 1H5* G 17 0.958 22.308 -4.078 174 2H5* G 17 2H5* G 17 0.646 21.285 -5.447 175 H4* G 17 H4* G 17 2.815 20.902 -4.814 176 H3* G 17 H3* G 17 1.276 18.732 -3.342 177 H2* G 17 H2* G 17 3.484 17.957 -2.813 178 2HO* G 17 2HO* G 17 3.977 18.480 -5.214 179 H1* G 17 H1* G 17 4.589 20.594 -2.839 180 H8 G 17 H8 G 17 5.841 19.935 -0.786 181 H1 G 17 H1 G 17 0.608 17.983 2.302 182 1H2 G 17 1H2 G 17 -1.117 17.872 0.922 183 2H2 G 17 2H2 G 17 -0.983 18.422 -0.740 184 1H5* G 18 1H5* G 18 3.500 16.493 -4.433 185 2H5* G 18 2H5* G 18 2.917 14.956 -4.934 186 H4* G 18 H4* G 18 4.202 15.292 -2.630 187 H3* G 18 H3* G 18 1.728 13.557 -2.773 188 H2* G 18 H2* G 18 2.073 13.162 -0.411 189 2HO* G 18 2HO* G 18 4.484 13.225 -0.846 190 H1* G 18 H1* G 18 2.558 15.770 0.232 191 H8 G 18 H8 G 18 -0.130 15.506 -2.492 192 H1 G 18 H1 G 18 -2.289 14.568 3.501 193 1H2 G 18 1H2 G 18 -0.534 14.276 4.894 194 2H2 G 18 2H2 G 18 1.118 14.441 4.321 195 1H5* U 19 1H5* U 19 4.697 11.444 -0.251 196 2H5* U 19 2H5* U 19 4.466 9.703 -0.396 197 H4* U 19 H4* U 19 4.184 10.724 1.916 198 H3* U 19 H3* U 19 1.914 9.040 0.800 199 H2* U 19 H2* U 19 0.935 9.273 2.999 200 2HO* U 19 2HO* U 19 3.020 9.110 4.061 201 H1* U 19 H1* U 19 1.352 11.946 3.176 202 H3 U 19 H3 U 19 -3.146 11.576 2.289 203 H5 U 19 H5 U 19 -1.235 11.487 -1.460 204 H6 U 19 H6 U 19 0.852 11.233 -0.349 205 1H5* A 20 1H5* A 20 3.371 7.132 4.474 206 2H5* A 20 2H5* A 20 3.089 5.381 4.453 207 H4* A 20 H4* A 20 1.899 6.609 6.272 208 H3* A 20 H3* A 20 0.083 5.154 4.284 209 H2* A 20 H2* A 20 -1.691 5.807 5.699 210 2HO* A 20 2HO* A 20 -0.110 5.687 7.622 211 H1* A 20 H1* A 20 -1.050 8.274 5.927 212 H8 A 20 H8 A 20 0.160 7.392 2.372 213 1H6 A 20 1H6 A 20 -5.419 9.045 0.430 214 2H6 A 20 2H6 A 20 -3.785 8.587 0.028 215 H2 A 20 H2 A 20 -5.585 8.691 4.949 216 1H5* C 21 1H5* C 21 -1.507 4.519 7.894 217 2H5* C 21 2H5* C 21 -1.943 2.910 8.212 218 H4* C 21 H4* C 21 -3.859 4.396 8.440 219 H3* C 21 H3* C 21 -4.154 2.546 6.033 220 H2* C 21 H2* C 21 -6.324 3.527 5.771 221 2HO* C 21 2HO* C 21 -6.533 3.641 8.176 222 H1* C 21 H1* C 21 -5.441 6.097 6.060 223 1H4 C 21 1H4 C 21 -5.191 5.631 -0.152 224 2H4 C 21 2H4 C 21 -3.520 5.096 -0.116 225 H5 C 21 H5 C 21 -2.394 4.467 2.060 226 H6 C 21 H6 C 21 -2.682 4.390 4.429 227 1H5* C 22 1H5* C 22 -7.754 2.026 8.374 228 2H5* C 22 2H5* C 22 -8.360 0.362 8.233 229 H4* C 22 H4* C 22 -9.916 2.145 7.324 230 H3* C 22 H3* C 22 -8.884 0.025 5.410 231 H2* C 22 H2* C 22 -10.284 1.007 3.750 232 2HO* C 22 2HO* C 22 -11.909 1.396 5.564 233 H1* C 22 H1* C 22 -9.717 3.621 4.422 234 1H4 C 22 1H4 C 22 -6.156 2.594 -0.654 235 2H4 C 22 2H4 C 22 -4.837 1.935 0.291 236 H5 C 22 H5 C 22 -5.054 1.603 2.798 237 H6 C 22 H6 C 22 -6.556 1.773 4.648 238 1H5* U 23 1H5* U 23 -13.033 0.060 4.499 239 2H5* U 23 2H5* U 23 -13.569 -1.594 4.168 240 H4* U 23 H4* U 23 -13.809 -0.038 2.227 241 H3* U 23 H3* U 23 -11.911 -2.375 1.869 242 H2* U 23 H2* U 23 -11.763 -1.686 -0.456 243 2HO* U 23 2HO* U 23 -14.086 -1.126 -0.448 244 H1* U 23 H1* U 23 -11.545 0.977 0.117 245 H3 U 23 H3 U 23 -7.423 -0.079 -1.402 246 H5 U 23 H5 U 23 -7.476 -1.562 2.542 247 H6 U 23 H6 U 23 -9.821 -1.050 2.648 248 1H5* U 24 1H5* U 24 -14.960 -2.366 -1.416 249 2H5* U 24 2H5* U 24 -15.229 -4.030 -1.957 250 H4* U 24 H4* U 24 -14.451 -2.445 -3.761 251 H3* U 24 H3* U 24 -12.673 -4.818 -3.109 252 H2* U 24 H2* U 24 -11.415 -4.170 -5.080 253 2HO* U 24 2HO* U 24 -13.530 -3.549 -6.115 254 H1* U 24 H1* U 24 -11.446 -1.486 -4.459 255 H3 U 24 H3 U 24 -7.110 -2.704 -3.850 256 H5 U 24 H5 U 24 -9.066 -4.241 -0.474 257 H6 U 24 H6 U 24 -11.194 -3.676 -1.488 258 1H5* U 25 1H5* U 25 -13.361 -5.002 -7.372 259 2H5* U 25 2H5* U 25 -13.456 -6.696 -7.874 260 H4* U 25 H4* U 25 -11.656 -5.420 -9.024 261 H3* U 25 H3* U 25 -10.696 -7.695 -7.239 262 H2* U 25 H2* U 25 -8.556 -7.310 -8.212 263 2HO* U 25 2HO* U 25 -9.578 -6.895 -10.332 264 H1* U 25 H1* U 25 -8.708 -4.570 -7.994 265 H3 U 25 H3 U 25 -5.606 -5.922 -4.912 266 H5 U 25 H5 U 25 -9.295 -6.600 -3.048 267 H6 U 25 H6 U 25 -10.401 -6.119 -5.141 268 1H5* G 26 1H5* G 26 -9.418 -8.763 -11.192 269 2H5* G 26 2H5* G 26 -9.350 -10.526 -11.374 270 H4* G 26 H4* G 26 -7.144 -9.323 -11.616 271 H3* G 26 H3* G 26 -7.400 -11.361 -9.385 272 H2* G 26 H2* G 26 -5.024 -11.021 -9.024 273 2HO* G 26 2HO* G 26 -4.731 -10.798 -11.406 274 H1* G 26 H1* G 26 -5.191 -8.284 -9.166 275 H8 G 26 H8 G 26 -8.308 -9.258 -7.280 276 H1 G 26 H1 G 26 -2.897 -9.822 -3.838 277 1H2 G 26 1H2 G 26 -1.096 -9.811 -5.267 278 2H2 G 26 2H2 G 26 -1.339 -9.548 -6.986 279 1H5* U 27 1H5* U 27 -3.838 -12.369 -11.883 280 2H5* U 27 2H5* U 27 -3.632 -14.125 -11.929 281 H4* U 27 H4* U 27 -1.635 -12.833 -11.112 282 H3* U 27 H3* U 27 -2.824 -14.829 -9.145 283 H2* U 27 H2* U 27 -0.884 -14.410 -7.854 284 2HO* U 27 2HO* U 27 0.522 -14.211 -9.737 285 H1* U 27 H1* U 27 -1.074 -11.708 -8.060 286 H3 U 27 H3 U 27 -2.319 -12.965 -3.817 287 H5 U 27 H5 U 27 -5.808 -13.271 -6.160 288 H6 U 27 H6 U 27 -4.459 -12.971 -8.120 289 1H5* G 28 1H5* G 28 1.365 -15.931 -9.917 290 2H5* G 28 2H5* G 28 1.672 -17.633 -9.532 291 H4* G 28 H4* G 28 2.922 -15.836 -8.188 292 H3* G 28 H3* G 28 1.423 -17.987 -6.708 293 H2* G 28 H2* G 28 2.374 -16.978 -4.693 294 2HO* G 28 2HO* G 28 4.362 -16.484 -6.062 295 H1* G 28 H1* G 28 1.680 -14.429 -5.388 296 H8 G 28 H8 G 28 -1.197 -16.255 -6.827 297 H1 G 28 H1 G 28 -1.503 -16.025 -0.423 298 1H2 G 28 1H2 G 28 0.507 -15.562 0.455 299 2H2 G 28 2H2 G 28 1.899 -15.267 -0.556 300 1H5* U 29 1H5* U 29 5.274 -18.091 -5.145 301 2H5* U 29 2H5* U 29 5.874 -19.743 -4.893 302 H4* U 29 H4* U 29 5.754 -18.477 -2.786 303 H3* U 29 H3* U 29 3.779 -20.783 -2.985 304 H2* U 29 H2* U 29 3.252 -20.370 -0.706 305 2HO* U 29 2HO* U 29 5.607 -19.779 -0.362 306 H1* U 29 H1* U 29 3.034 -17.662 -1.013 307 H3 U 29 H3 U 29 -1.302 -19.202 -0.670 308 H5 U 29 H5 U 29 -0.316 -19.336 -4.753 309 H6 U 29 H6 U 29 1.936 -18.923 -4.197 310 1H5* C 30 1H5* C 30 6.103 -21.478 0.398 311 2H5* C 30 2H5* C 30 6.488 -23.196 0.593 312 H4* C 30 H4* C 30 5.257 -22.229 2.522 313 H3* C 30 H3* C 30 3.800 -24.366 0.912 314 H2* C 30 H2* C 30 2.083 -24.307 2.547 315 2HO* C 30 2HO* C 30 2.402 -23.275 4.561 316 H1* C 30 H1* C 30 2.272 -21.526 2.989 317 1H4 C 30 1H4 C 30 -3.011 -22.045 -0.370 318 2H4 C 30 2H4 C 30 -2.136 -21.998 -1.886 319 H5 C 30 H5 C 30 0.391 -22.304 -1.947 320 H6 C 30 H6 C 30 2.357 -22.390 -0.567 321 H3T C 30 HE C 30 4.793 -24.597 3.510
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