USER MOD reduce.3.24.130724 H: found=0, std=0, add=189, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 190 hydrogens (52 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 13 HEH H18 : A 13 HEH C18 : A 4 DG N7 :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= -0.0782 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0143 (180deg=-0.0143) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot -158:sc= -0.839! USER MOD Single : A 13 HEH O3E : rot -100:sc= -0.241 USER MOD Single : A 13 HEH O3F : rot 28:sc= -0.219 USER MOD Single : B 7 DA O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.16 (180deg=-1.16) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 10.038 -11.141 -2.180 1.00 0.00 O ATOM 2 C5' DA A 1 10.928 -10.539 -3.110 1.00 0.00 C ATOM 3 C4' DA A 1 11.132 -9.040 -2.834 1.00 0.00 C ATOM 4 O4' DA A 1 10.313 -8.329 -3.741 1.00 0.00 O ATOM 5 C3' DA A 1 10.741 -8.557 -1.425 1.00 0.00 C ATOM 6 O3' DA A 1 11.821 -7.778 -0.907 1.00 0.00 O ATOM 7 C2' DA A 1 9.482 -7.728 -1.681 1.00 0.00 C ATOM 8 C1' DA A 1 9.665 -7.246 -3.119 1.00 0.00 C ATOM 9 N9 DA A 1 8.410 -6.991 -3.848 1.00 0.00 N ATOM 10 C8 DA A 1 7.307 -7.759 -3.950 1.00 0.00 C ATOM 11 N7 DA A 1 6.336 -7.216 -4.710 1.00 0.00 N ATOM 12 C5 DA A 1 6.849 -6.004 -5.141 1.00 0.00 C ATOM 13 C6 DA A 1 6.385 -4.985 -5.919 1.00 0.00 C ATOM 14 N6 DA A 1 5.134 -5.018 -6.412 1.00 0.00 N ATOM 15 N1 DA A 1 7.136 -3.898 -6.170 1.00 0.00 N ATOM 16 C2 DA A 1 8.365 -3.837 -5.625 1.00 0.00 C ATOM 17 N3 DA A 1 8.898 -4.781 -4.851 1.00 0.00 N ATOM 18 C4 DA A 1 8.143 -5.863 -4.608 1.00 0.00 C ATOM 0 H5' DA A 1 10.539 -10.671 -4.120 1.00 0.00 H new ATOM 0 H5'' DA A 1 11.891 -11.048 -3.070 1.00 0.00 H new ATOM 0 H4' DA A 1 12.203 -8.865 -2.938 1.00 0.00 H new ATOM 0 H3' DA A 1 10.552 -9.343 -0.694 1.00 0.00 H new ATOM 0 H2' DA A 1 8.577 -8.326 -1.569 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.401 -6.894 -0.984 1.00 0.00 H new ATOM 0 HO5' DA A 1 9.936 -12.092 -2.393 1.00 0.00 H new ATOM 0 H1' DA A 1 10.198 -6.295 -3.124 1.00 0.00 H new ATOM 0 H8 DA A 1 7.211 -8.720 -3.467 1.00 0.00 H new ATOM 0 H61 DA A 1 4.795 -4.252 -6.993 1.00 0.00 H new ATOM 0 H62 DA A 1 4.525 -5.809 -6.205 1.00 0.00 H new ATOM 0 H2 DA A 1 8.962 -2.960 -5.830 1.00 0.00 H new ATOM 31 P DC A 2 11.616 -6.795 0.293 1.00 0.00 P ATOM 32 OP1 DC A 2 12.980 -6.611 1.005 1.00 0.00 O ATOM 33 OP2 DC A 2 10.552 -7.367 1.265 1.00 0.00 O ATOM 34 O5' DC A 2 11.140 -5.401 -0.201 1.00 0.00 O ATOM 35 C5' DC A 2 11.941 -4.732 -1.167 1.00 0.00 C ATOM 36 C4' DC A 2 11.292 -3.402 -1.513 1.00 0.00 C ATOM 37 O4' DC A 2 10.065 -3.626 -2.173 1.00 0.00 O ATOM 38 C3' DC A 2 10.957 -2.566 -0.274 1.00 0.00 C ATOM 39 O3' DC A 2 11.684 -1.344 -0.401 1.00 0.00 O ATOM 40 C2' DC A 2 9.431 -2.426 -0.351 1.00 0.00 C ATOM 41 C1' DC A 2 9.157 -2.600 -1.844 1.00 0.00 C ATOM 42 N1 DC A 2 7.810 -3.079 -2.235 1.00 0.00 N ATOM 43 C2 DC A 2 7.038 -2.317 -3.102 1.00 0.00 C ATOM 44 O2 DC A 2 7.348 -1.206 -3.516 1.00 0.00 O ATOM 45 N3 DC A 2 5.816 -2.860 -3.447 1.00 0.00 N ATOM 46 C4 DC A 2 5.382 -4.020 -2.982 1.00 0.00 C ATOM 47 N4 DC A 2 4.154 -4.423 -3.334 1.00 0.00 N ATOM 48 C5 DC A 2 6.149 -4.772 -2.116 1.00 0.00 C ATOM 49 C6 DC A 2 7.388 -4.255 -1.762 1.00 0.00 C ATOM 0 H5' DC A 2 12.042 -5.346 -2.062 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.946 -4.570 -0.776 1.00 0.00 H new ATOM 0 H4' DC A 2 12.013 -2.870 -2.133 1.00 0.00 H new ATOM 0 H3' DC A 2 11.230 -2.977 0.698 1.00 0.00 H new ATOM 0 H2' DC A 2 8.923 -3.184 0.246 1.00 0.00 H new ATOM 0 H2'' DC A 2 9.094 -1.455 0.013 1.00 0.00 H new ATOM 0 H1' DC A 2 9.245 -1.633 -2.339 1.00 0.00 H new ATOM 0 H41 DC A 2 3.792 -5.313 -2.991 1.00 0.00 H new ATOM 0 H42 DC A 2 3.581 -3.840 -3.945 1.00 0.00 H new ATOM 0 H5 DC A 2 5.802 -5.719 -1.731 1.00 0.00 H new ATOM 0 H6 DC A 2 8.023 -4.814 -1.091 1.00 0.00 H new ATOM 61 P DC A 3 11.211 -0.020 0.263 1.00 0.00 P ATOM 62 OP1 DC A 3 12.377 0.995 0.141 1.00 0.00 O ATOM 63 OP2 DC A 3 10.881 -0.316 1.747 1.00 0.00 O ATOM 64 O5' DC A 3 9.927 0.534 -0.447 1.00 0.00 O ATOM 65 C5' DC A 3 9.765 1.918 -0.726 1.00 0.00 C ATOM 66 C4' DC A 3 8.412 2.396 -0.203 1.00 0.00 C ATOM 67 O4' DC A 3 7.380 1.856 -0.994 1.00 0.00 O ATOM 68 C3' DC A 3 8.042 1.946 1.212 1.00 0.00 C ATOM 69 O3' DC A 3 8.531 2.875 2.174 1.00 0.00 O ATOM 70 C2' DC A 3 6.518 1.921 1.186 1.00 0.00 C ATOM 71 C1' DC A 3 6.156 1.988 -0.304 1.00 0.00 C ATOM 72 N1 DC A 3 5.284 0.882 -0.735 1.00 0.00 N ATOM 73 C2 DC A 3 3.974 1.131 -1.118 1.00 0.00 C ATOM 74 O2 DC A 3 3.477 2.244 -1.156 1.00 0.00 O ATOM 75 N3 DC A 3 3.221 0.030 -1.466 1.00 0.00 N ATOM 76 C4 DC A 3 3.701 -1.198 -1.427 1.00 0.00 C ATOM 77 N4 DC A 3 2.900 -2.214 -1.761 1.00 0.00 N ATOM 78 C5 DC A 3 5.004 -1.431 -1.036 1.00 0.00 C ATOM 79 C6 DC A 3 5.790 -0.345 -0.700 1.00 0.00 C ATOM 0 H5' DC A 3 9.832 2.092 -1.800 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.568 2.489 -0.260 1.00 0.00 H new ATOM 0 H4' DC A 3 8.509 3.481 -0.225 1.00 0.00 H new ATOM 0 H3' DC A 3 8.471 0.983 1.488 1.00 0.00 H new ATOM 0 H2' DC A 3 6.128 1.014 1.648 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.098 2.764 1.734 1.00 0.00 H new ATOM 0 H1' DC A 3 5.621 2.917 -0.502 1.00 0.00 H new ATOM 0 H41 DC A 3 3.253 -3.171 -1.737 1.00 0.00 H new ATOM 0 H42 DC A 3 1.936 -2.033 -2.040 1.00 0.00 H new ATOM 0 H5 DC A 3 5.399 -2.435 -0.994 1.00 0.00 H new ATOM 0 H6 DC A 3 6.819 -0.495 -0.408 1.00 0.00 H new ATOM 91 P DG A 4 8.602 2.486 3.695 1.00 0.00 P ATOM 92 OP1 DG A 4 9.547 3.499 4.390 1.00 0.00 O ATOM 93 OP2 DG A 4 9.123 1.036 3.858 1.00 0.00 O ATOM 94 O5' DG A 4 7.213 2.584 4.404 1.00 0.00 O ATOM 95 C5' DG A 4 6.423 3.748 4.192 1.00 0.00 C ATOM 96 C4' DG A 4 4.939 3.417 4.371 1.00 0.00 C ATOM 97 O4' DG A 4 4.591 2.115 3.916 1.00 0.00 O ATOM 98 C3' DG A 4 4.507 3.454 5.847 1.00 0.00 C ATOM 99 O3' DG A 4 3.789 4.664 6.101 1.00 0.00 O ATOM 100 C2' DG A 4 3.685 2.183 6.008 1.00 0.00 C ATOM 101 C1' DG A 4 3.382 1.799 4.580 1.00 0.00 C ATOM 102 N9 DG A 4 3.043 0.374 4.555 1.00 0.00 N ATOM 103 C8 DG A 4 3.804 -0.682 4.864 1.00 0.00 C ATOM 104 N7 DG A 4 3.179 -1.867 4.741 1.00 0.00 N ATOM 105 C5 DG A 4 1.879 -1.542 4.310 1.00 0.00 C ATOM 106 C6 DG A 4 0.711 -2.307 3.950 1.00 0.00 C ATOM 107 O6 DG A 4 0.549 -3.520 3.968 1.00 0.00 O ATOM 108 N1 DG A 4 -0.351 -1.507 3.515 1.00 0.00 N ATOM 109 C2 DG A 4 -0.323 -0.179 3.445 1.00 0.00 C ATOM 110 N2 DG A 4 -1.396 0.502 3.003 1.00 0.00 N ATOM 111 N3 DG A 4 0.727 0.550 3.781 1.00 0.00 N ATOM 112 C4 DG A 4 1.807 -0.130 4.198 1.00 0.00 C ATOM 0 H5' DG A 4 6.598 4.138 3.189 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.717 4.529 4.894 1.00 0.00 H new ATOM 0 H4' DG A 4 4.436 4.182 3.779 1.00 0.00 H new ATOM 0 H3' DG A 4 5.322 3.468 6.571 1.00 0.00 H new ATOM 0 H2' DG A 4 4.243 1.403 6.527 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.775 2.360 6.581 1.00 0.00 H new ATOM 0 H1' DG A 4 2.539 2.305 4.110 1.00 0.00 H new ATOM 0 H8 DG A 4 4.831 -0.591 5.185 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.210 -1.977 3.230 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.368 1.520 2.952 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.237 -0.000 2.719 1.00 0.00 H new ATOM 124 P DG A 5 2.488 4.700 6.976 1.00 0.00 P ATOM 125 OP1 DG A 5 2.134 6.184 7.243 1.00 0.00 O ATOM 126 OP2 DG A 5 2.762 3.949 8.306 1.00 0.00 O ATOM 127 O5' DG A 5 1.279 4.007 6.252 1.00 0.00 O ATOM 128 C5' DG A 5 0.880 4.479 4.966 1.00 0.00 C ATOM 129 C4' DG A 5 -0.608 4.813 4.958 1.00 0.00 C ATOM 130 O4' DG A 5 -1.316 3.628 4.642 1.00 0.00 O ATOM 131 C3' DG A 5 -1.138 5.307 6.303 1.00 0.00 C ATOM 132 O3' DG A 5 -1.993 6.418 6.059 1.00 0.00 O ATOM 133 C2' DG A 5 -1.882 4.096 6.868 1.00 0.00 C ATOM 134 C1' DG A 5 -2.217 3.225 5.653 1.00 0.00 C ATOM 135 N9 DG A 5 -2.012 1.783 5.906 1.00 0.00 N ATOM 136 C8 DG A 5 -0.919 1.166 6.404 1.00 0.00 C ATOM 137 N7 DG A 5 -1.032 -0.174 6.474 1.00 0.00 N ATOM 138 C5 DG A 5 -2.292 -0.456 5.974 1.00 0.00 C ATOM 139 C6 DG A 5 -2.985 -1.688 5.732 1.00 0.00 C ATOM 140 O6 DG A 5 -2.597 -2.835 5.920 1.00 0.00 O ATOM 141 N1 DG A 5 -4.235 -1.514 5.162 1.00 0.00 N ATOM 142 C2 DG A 5 -4.763 -0.339 4.854 1.00 0.00 C ATOM 143 N2 DG A 5 -5.961 -0.316 4.241 1.00 0.00 N ATOM 144 N3 DG A 5 -4.151 0.824 5.068 1.00 0.00 N ATOM 145 C4 DG A 5 -2.920 0.763 5.620 1.00 0.00 C ATOM 0 H5' DG A 5 1.093 3.721 4.212 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.459 5.364 4.701 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.749 5.615 4.233 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.377 5.651 7.004 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.264 3.553 7.583 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.786 4.401 7.395 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.267 3.353 5.391 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.034 1.699 6.718 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.787 -2.349 4.966 1.00 0.00 H new ATOM 0 H21 DG A 5 -6.390 0.576 3.993 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.440 -1.190 4.025 1.00 0.00 H new ATOM 157 P DT A 6 -2.869 7.002 7.207 1.00 0.00 P ATOM 158 OP1 DT A 6 -3.146 8.497 6.904 1.00 0.00 O ATOM 159 OP2 DT A 6 -2.146 6.824 8.567 1.00 0.00 O ATOM 160 O5' DT A 6 -4.225 6.248 7.267 1.00 0.00 O ATOM 161 C5' DT A 6 -5.019 6.211 6.089 1.00 0.00 C ATOM 162 C4' DT A 6 -6.404 5.639 6.399 1.00 0.00 C ATOM 163 O4' DT A 6 -6.331 4.237 6.305 1.00 0.00 O ATOM 164 C3' DT A 6 -6.922 5.883 7.829 1.00 0.00 C ATOM 165 O3' DT A 6 -7.587 7.114 8.035 1.00 0.00 O ATOM 166 C2' DT A 6 -7.766 4.649 8.129 1.00 0.00 C ATOM 167 C1' DT A 6 -7.357 3.626 7.059 1.00 0.00 C ATOM 168 N1 DT A 6 -6.764 2.393 7.626 1.00 0.00 N ATOM 169 C2 DT A 6 -7.510 1.224 7.675 1.00 0.00 C ATOM 170 O2 DT A 6 -8.654 1.204 7.241 1.00 0.00 O ATOM 171 N3 DT A 6 -6.926 0.136 8.205 1.00 0.00 N ATOM 172 C4 DT A 6 -5.675 0.088 8.691 1.00 0.00 C ATOM 173 O4 DT A 6 -5.225 -0.945 9.165 1.00 0.00 O ATOM 174 C5 DT A 6 -4.905 1.332 8.626 1.00 0.00 C ATOM 175 C7 DT A 6 -3.495 1.361 9.145 1.00 0.00 C ATOM 176 C6 DT A 6 -5.512 2.449 8.080 1.00 0.00 C ATOM 0 H5' DT A 6 -4.528 5.601 5.330 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.117 7.215 5.677 1.00 0.00 H new ATOM 0 H4' DT A 6 -7.069 6.136 5.693 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.097 6.000 8.532 1.00 0.00 H new ATOM 0 H2' DT A 6 -7.572 4.271 9.133 1.00 0.00 H new ATOM 0 H2'' DT A 6 -8.831 4.875 8.074 1.00 0.00 H new ATOM 0 HO3' DT A 6 -7.879 7.176 8.968 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.248 3.350 6.494 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.477 -0.722 8.241 1.00 0.00 H new ATOM 0 H71 DT A 6 -2.916 2.096 8.585 1.00 0.00 H new ATOM 0 H72 DT A 6 -3.501 1.632 10.201 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.043 0.376 9.026 1.00 0.00 H new ATOM 0 H6 DT A 6 -4.964 3.378 8.021 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.204 -1.378 0.358 1.00 0.00 C HETATM 192 O1 HEH A 13 1.446 -1.527 0.894 1.00 0.00 O HETATM 193 C2 HEH A 13 2.065 -2.765 1.092 1.00 0.00 C HETATM 194 C3 HEH A 13 1.393 -3.921 0.733 1.00 0.00 C HETATM 195 C4 HEH A 13 0.053 -3.845 0.155 1.00 0.00 C HETATM 196 O4 HEH A 13 -0.573 -4.853 -0.152 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.546 -2.542 -0.047 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.820 -2.370 -0.664 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.626 -3.551 -1.158 1.00 0.00 C HETATM 200 C6 HEH A 13 -2.314 -1.084 -0.872 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.600 0.071 -0.484 1.00 0.00 C HETATM 202 C7 HEH A 13 -2.138 1.370 -0.784 1.00 0.00 C HETATM 203 O7C HEH A 13 -3.230 1.424 -1.339 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.406 2.580 -0.445 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.876 3.892 -0.760 1.00 0.00 C HETATM 206 C9 HEH A 13 -1.137 5.010 -0.369 1.00 0.00 C HETATM 207 C10 HEH A 13 0.081 4.918 0.306 1.00 0.00 C HETATM 208 C11 HEH A 13 0.579 3.637 0.589 1.00 0.00 C HETATM 209 O11 HEH A 13 1.790 3.550 1.252 1.00 0.00 O HETATM 210 CBA HEH A 13 -0.132 2.460 0.219 1.00 0.00 C HETATM 211 CCA HEH A 13 -0.317 -0.049 0.142 1.00 0.00 C HETATM 212 C12 HEH A 13 0.411 1.148 0.498 1.00 0.00 C HETATM 213 OCC HEH A 13 1.526 1.058 1.005 1.00 0.00 O HETATM 214 C6E HEH A 13 -3.056 4.120 -1.688 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.950 5.396 -2.292 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.756 5.603 -3.434 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.421 7.005 -3.960 1.00 0.00 C HETATM 218 C3E HEH A 13 -5.234 5.441 -3.025 1.00 0.00 C HETATM 219 O3E HEH A 13 -6.134 5.400 -4.117 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.446 4.132 -2.249 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.871 3.863 -1.983 1.00 0.00 N HETATM 222 C2X HEH A 13 -7.060 2.715 -1.087 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.684 5.011 -1.556 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.456 4.050 -1.069 1.00 0.00 C HETATM 225 C6F HEH A 13 0.794 6.206 0.723 1.00 0.00 C HETATM 226 O1F HEH A 13 0.249 7.349 0.077 1.00 0.00 O HETATM 227 C2F HEH A 13 0.587 7.534 -1.286 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.250 8.675 -1.875 1.00 0.00 C HETATM 229 C3F HEH A 13 2.115 7.693 -1.440 1.00 0.00 C HETATM 230 O3F HEH A 13 2.672 8.773 -0.709 1.00 0.00 O HETATM 231 C4F HEH A 13 2.852 6.463 -0.885 1.00 0.00 C HETATM 232 N4F HEH A 13 4.310 6.745 -0.816 1.00 0.00 N HETATM 233 C5X HEH A 13 5.137 5.580 -0.438 1.00 0.00 C HETATM 234 C1B HEH A 13 4.918 7.344 -2.020 1.00 0.00 C HETATM 235 C1C HEH A 13 2.582 5.216 -1.737 1.00 0.00 C HETATM 236 C5F HEH A 13 2.332 6.277 0.566 1.00 0.00 C HETATM 237 C14 HEH A 13 3.454 -2.742 1.658 1.00 0.00 C HETATM 238 O14 HEH A 13 4.405 -3.736 1.220 1.00 0.00 O HETATM 239 C15 HEH A 13 4.024 -1.342 1.891 1.00 0.00 C HETATM 240 C16 HEH A 13 3.812 -3.880 2.532 1.00 0.00 C HETATM 241 C17 HEH A 13 4.661 -3.643 3.770 1.00 0.00 C HETATM 242 O17 HEH A 13 5.252 -4.910 4.004 1.00 0.00 O HETATM 243 C18 HEH A 13 3.775 -3.206 4.963 1.00 0.00 C HETATM 244 C19 HEH A 13 4.609 -3.129 6.254 1.00 0.00 C HETATM 0 HMC3 HEH A 13 5.036 -4.108 6.470 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.412 -2.404 6.126 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.970 -2.821 7.082 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.060 -0.802 0.945 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.388 -0.803 2.593 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.031 -1.423 2.301 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -2.055 -4.090 -1.914 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.843 -4.218 -0.324 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -3.561 -3.197 -1.592 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.309 8.428 -1.796 1.00 0.00 H new HETATM 0 HM72 HEH A 13 -0.050 9.595 -1.325 1.00 0.00 H new HETATM 0 HM71 HEH A 13 0.012 8.815 -2.924 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.513 5.004 -1.743 1.00 0.00 H new HETATM 0 HM42 HEH A 13 2.923 5.392 -2.757 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.118 4.365 -1.317 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.641 7.745 -3.190 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.363 7.054 -4.218 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -4.020 7.214 -4.846 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.783 6.673 -2.868 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.438 8.299 -2.233 1.00 0.00 H new HETATM 0 HK61 HEH A 13 5.983 7.503 -1.849 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.834 5.223 0.546 1.00 0.00 H new HETATM 0 HK52 HEH A 13 5.001 4.784 -1.170 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.187 5.872 -0.411 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.279 5.419 -0.630 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.664 5.779 -2.330 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.712 4.688 -1.391 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -6.626 1.824 -1.541 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.569 2.913 -0.134 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -8.125 2.555 -0.920 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.607 6.195 1.797 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.703 7.102 1.174 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.244 7.848 -2.511 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.335 6.652 -1.875 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.983 3.285 -2.385 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.590 3.124 -0.511 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -5.185 3.271 -2.864 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.444 6.323 -2.421 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.571 4.882 -4.230 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.195 2.674 1.080 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.321 7.445 -0.074 1.00 0.00 H new HETATM 0 HNE HEH A 13 -7.236 3.630 -2.906 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.529 6.000 -0.602 1.00 0.00 H new HETATM 0 H6 HEH A 13 -3.286 -0.965 -1.351 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.763 5.362 0.973 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.615 4.870 -0.369 1.00 0.00 H new HETATM 0 H3F HEH A 13 2.119 8.954 0.080 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.555 6.278 -4.227 1.00 0.00 H new HETATM 0 H3 HEH A 13 1.865 -4.892 0.882 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.398 -2.850 3.645 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.258 -4.661 3.053 1.00 0.00 H new ATOM 297 O5' DA B 7 -9.670 -10.186 7.497 1.00 0.00 O ATOM 298 C5' DA B 7 -10.174 -8.907 7.835 1.00 0.00 C ATOM 299 C4' DA B 7 -10.908 -8.159 6.701 1.00 0.00 C ATOM 300 O4' DA B 7 -10.477 -6.818 6.720 1.00 0.00 O ATOM 301 C3' DA B 7 -10.644 -8.594 5.258 1.00 0.00 C ATOM 302 O3' DA B 7 -11.725 -8.102 4.471 1.00 0.00 O ATOM 303 C2' DA B 7 -9.405 -7.814 4.860 1.00 0.00 C ATOM 304 C1' DA B 7 -9.495 -6.561 5.734 1.00 0.00 C ATOM 305 N9 DA B 7 -8.245 -6.194 6.425 1.00 0.00 N ATOM 306 C8 DA B 7 -7.320 -6.939 7.067 1.00 0.00 C ATOM 307 N7 DA B 7 -6.336 -6.212 7.632 1.00 0.00 N ATOM 308 C5 DA B 7 -6.646 -4.895 7.334 1.00 0.00 C ATOM 309 C6 DA B 7 -6.080 -3.682 7.589 1.00 0.00 C ATOM 310 N6 DA B 7 -4.940 -3.581 8.295 1.00 0.00 N ATOM 311 N1 DA B 7 -6.640 -2.544 7.135 1.00 0.00 N ATOM 312 C2 DA B 7 -7.771 -2.632 6.416 1.00 0.00 C ATOM 313 N3 DA B 7 -8.396 -3.766 6.123 1.00 0.00 N ATOM 314 C4 DA B 7 -7.832 -4.889 6.581 1.00 0.00 C ATOM 0 H5' DA B 7 -9.345 -8.288 8.177 1.00 0.00 H new ATOM 0 H5'' DA B 7 -10.858 -9.016 8.676 1.00 0.00 H new ATOM 0 H4' DA B 7 -11.957 -8.361 6.916 1.00 0.00 H new ATOM 0 H3' DA B 7 -10.536 -9.672 5.137 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.493 -8.378 5.055 1.00 0.00 H new ATOM 0 H2'' DA B 7 -9.407 -7.567 3.798 1.00 0.00 H new ATOM 0 HO5' DA B 7 -9.223 -10.578 8.276 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.731 -5.726 5.074 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.365 -8.017 7.123 1.00 0.00 H new ATOM 0 H61 DA B 7 -4.532 -2.664 8.476 1.00 0.00 H new ATOM 0 H62 DA B 7 -4.484 -4.421 8.650 1.00 0.00 H new ATOM 0 H2 DA B 7 -8.204 -1.713 6.049 1.00 0.00 H new ATOM 327 P DC B 8 -12.093 -8.733 3.085 1.00 0.00 P ATOM 328 OP1 DC B 8 -13.589 -9.133 3.137 1.00 0.00 O ATOM 329 OP2 DC B 8 -11.204 -9.976 2.802 1.00 0.00 O ATOM 330 O5' DC B 8 -11.927 -7.698 1.917 1.00 0.00 O ATOM 331 C5' DC B 8 -10.775 -7.710 1.077 1.00 0.00 C ATOM 332 C4' DC B 8 -10.241 -6.289 0.874 1.00 0.00 C ATOM 333 O4' DC B 8 -9.499 -5.876 2.011 1.00 0.00 O ATOM 334 C3' DC B 8 -9.282 -6.201 -0.319 1.00 0.00 C ATOM 335 O3' DC B 8 -9.892 -5.396 -1.336 1.00 0.00 O ATOM 336 C2' DC B 8 -7.995 -5.645 0.298 1.00 0.00 C ATOM 337 C1' DC B 8 -8.451 -5.009 1.624 1.00 0.00 C ATOM 338 N1 DC B 8 -7.396 -4.993 2.675 1.00 0.00 N ATOM 339 C2 DC B 8 -6.975 -3.794 3.255 1.00 0.00 C ATOM 340 O2 DC B 8 -7.470 -2.695 3.033 1.00 0.00 O ATOM 341 N3 DC B 8 -5.904 -3.893 4.132 1.00 0.00 N ATOM 342 C4 DC B 8 -5.314 -5.044 4.414 1.00 0.00 C ATOM 343 N4 DC B 8 -4.264 -5.054 5.247 1.00 0.00 N ATOM 344 C5 DC B 8 -5.744 -6.226 3.854 1.00 0.00 C ATOM 345 C6 DC B 8 -6.811 -6.154 2.975 1.00 0.00 C ATOM 0 H5' DC B 8 -11.026 -8.151 0.112 1.00 0.00 H new ATOM 0 H5'' DC B 8 -10.001 -8.335 1.521 1.00 0.00 H new ATOM 0 H4' DC B 8 -11.113 -5.657 0.704 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.054 -7.138 -0.828 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.262 -6.434 0.467 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.526 -4.909 -0.355 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.723 -3.961 1.502 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.800 -5.934 5.473 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.929 -4.182 5.655 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.270 -7.167 4.090 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.180 -7.062 2.520 1.00 0.00 H new ATOM 357 P DC B 9 -9.129 -4.263 -2.095 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.097 -3.632 -3.130 1.00 0.00 O ATOM 359 OP2 DC B 9 -7.906 -4.901 -2.802 1.00 0.00 O ATOM 360 O5' DC B 9 -8.598 -3.178 -1.099 1.00 0.00 O ATOM 361 C5' DC B 9 -9.269 -1.941 -0.889 1.00 0.00 C ATOM 362 C4' DC B 9 -8.215 -0.841 -0.941 1.00 0.00 C ATOM 363 O4' DC B 9 -7.369 -1.027 0.176 1.00 0.00 O ATOM 364 C3' DC B 9 -7.309 -0.938 -2.177 1.00 0.00 C ATOM 365 O3' DC B 9 -7.411 0.245 -2.970 1.00 0.00 O ATOM 366 C2' DC B 9 -5.903 -1.053 -1.619 1.00 0.00 C ATOM 367 C1' DC B 9 -6.032 -0.698 -0.130 1.00 0.00 C ATOM 368 N1 DC B 9 -5.147 -1.492 0.758 1.00 0.00 N ATOM 369 C2 DC B 9 -4.180 -0.864 1.532 1.00 0.00 C ATOM 370 O2 DC B 9 -4.018 0.348 1.576 1.00 0.00 O ATOM 371 N3 DC B 9 -3.353 -1.698 2.269 1.00 0.00 N ATOM 372 C4 DC B 9 -3.467 -3.015 2.246 1.00 0.00 C ATOM 373 N4 DC B 9 -2.617 -3.756 2.979 1.00 0.00 N ATOM 374 C5 DC B 9 -4.434 -3.633 1.480 1.00 0.00 C ATOM 375 C6 DC B 9 -5.275 -2.817 0.739 1.00 0.00 C ATOM 0 H5' DC B 9 -9.780 -1.939 0.074 1.00 0.00 H new ATOM 0 H5'' DC B 9 -10.030 -1.781 -1.653 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.735 0.117 -0.961 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.583 -1.779 -2.814 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.508 -2.060 -1.751 1.00 0.00 H new ATOM 0 H2'' DC B 9 -5.220 -0.373 -2.128 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.753 0.343 0.030 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.691 -4.773 2.973 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.898 -3.301 3.541 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.532 -4.708 1.459 1.00 0.00 H new ATOM 0 H6 DC B 9 -6.049 -3.265 0.134 1.00 0.00 H new ATOM 387 P DG B 10 -7.662 0.192 -4.526 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.983 0.962 -4.789 1.00 0.00 O ATOM 389 OP2 DG B 10 -7.770 -1.271 -5.029 1.00 0.00 O ATOM 390 O5' DG B 10 -6.486 0.843 -5.334 1.00 0.00 O ATOM 391 C5' DG B 10 -6.708 1.902 -6.264 1.00 0.00 C ATOM 392 C4' DG B 10 -5.477 2.812 -6.278 1.00 0.00 C ATOM 393 O4' DG B 10 -4.676 2.449 -5.164 1.00 0.00 O ATOM 394 C3' DG B 10 -4.615 2.665 -7.541 1.00 0.00 C ATOM 395 O3' DG B 10 -4.260 3.971 -8.008 1.00 0.00 O ATOM 396 C2' DG B 10 -3.444 1.829 -7.050 1.00 0.00 C ATOM 397 C1' DG B 10 -3.354 2.145 -5.554 1.00 0.00 C ATOM 398 N9 DG B 10 -2.836 0.961 -4.842 1.00 0.00 N ATOM 399 C8 DG B 10 -3.262 -0.320 -4.886 1.00 0.00 C ATOM 400 N7 DG B 10 -2.428 -1.195 -4.294 1.00 0.00 N ATOM 401 C5 DG B 10 -1.381 -0.423 -3.820 1.00 0.00 C ATOM 402 C6 DG B 10 -0.168 -0.742 -3.122 1.00 0.00 C ATOM 403 O6 DG B 10 0.267 -1.839 -2.796 1.00 0.00 O ATOM 404 N1 DG B 10 0.596 0.376 -2.812 1.00 0.00 N ATOM 405 C2 DG B 10 0.271 1.620 -3.130 1.00 0.00 C ATOM 406 N2 DG B 10 1.093 2.620 -2.791 1.00 0.00 N ATOM 407 N3 DG B 10 -0.832 1.944 -3.789 1.00 0.00 N ATOM 408 C4 DG B 10 -1.646 0.929 -4.134 1.00 0.00 C ATOM 0 H5' DG B 10 -7.595 2.471 -5.984 1.00 0.00 H new ATOM 0 H5'' DG B 10 -6.890 1.498 -7.260 1.00 0.00 H new ATOM 0 H4' DG B 10 -5.828 3.844 -6.247 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.092 2.187 -8.396 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.614 0.766 -7.222 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.522 2.093 -7.568 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.682 2.973 -5.327 1.00 0.00 H new ATOM 0 H8 DG B 10 -4.189 -0.616 -5.354 1.00 0.00 H new ATOM 0 H1 DG B 10 1.468 0.229 -2.304 1.00 0.00 H new ATOM 0 H21 DG B 10 0.852 3.582 -3.031 1.00 0.00 H new ATOM 0 H22 DG B 10 1.960 2.421 -2.293 1.00 0.00 H new ATOM 420 P DG B 11 -2.862 4.288 -8.638 1.00 0.00 P ATOM 421 OP1 DG B 11 -2.912 5.719 -9.232 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.567 3.244 -9.745 1.00 0.00 O ATOM 423 O5' DG B 11 -1.722 4.200 -7.572 1.00 0.00 O ATOM 424 C5' DG B 11 -1.447 5.290 -6.699 1.00 0.00 C ATOM 425 C4' DG B 11 0.046 5.278 -6.395 1.00 0.00 C ATOM 426 O4' DG B 11 0.361 4.094 -5.678 1.00 0.00 O ATOM 427 C3' DG B 11 0.884 5.235 -7.678 1.00 0.00 C ATOM 428 O3' DG B 11 1.911 6.217 -7.579 1.00 0.00 O ATOM 429 C2' DG B 11 1.461 3.828 -7.672 1.00 0.00 C ATOM 430 C1' DG B 11 1.538 3.505 -6.191 1.00 0.00 C ATOM 431 N9 DG B 11 1.549 2.050 -5.963 1.00 0.00 N ATOM 432 C8 DG B 11 0.624 1.132 -6.305 1.00 0.00 C ATOM 433 N7 DG B 11 0.957 -0.126 -5.965 1.00 0.00 N ATOM 434 C5 DG B 11 2.196 -0.024 -5.359 1.00 0.00 C ATOM 435 C6 DG B 11 3.090 -0.999 -4.809 1.00 0.00 C ATOM 436 O6 DG B 11 2.938 -2.212 -4.730 1.00 0.00 O ATOM 437 N1 DG B 11 4.267 -0.444 -4.329 1.00 0.00 N ATOM 438 C2 DG B 11 4.558 0.852 -4.352 1.00 0.00 C ATOM 439 N2 DG B 11 5.743 1.264 -3.874 1.00 0.00 N ATOM 440 N3 DG B 11 3.744 1.778 -4.845 1.00 0.00 N ATOM 441 C4 DG B 11 2.575 1.339 -5.351 1.00 0.00 C ATOM 0 H5' DG B 11 -2.025 5.198 -5.779 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.735 6.233 -7.163 1.00 0.00 H new ATOM 0 H4' DG B 11 0.270 6.184 -5.832 1.00 0.00 H new ATOM 0 H3' DG B 11 0.328 5.444 -8.592 1.00 0.00 H new ATOM 0 H2' DG B 11 0.821 3.126 -8.207 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.442 3.791 -8.146 1.00 0.00 H new ATOM 0 H1' DG B 11 2.446 3.876 -5.717 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.299 1.383 -6.806 1.00 0.00 H new ATOM 0 H1 DG B 11 4.960 -1.077 -3.929 1.00 0.00 H new ATOM 0 H21 DG B 11 5.980 2.256 -3.885 1.00 0.00 H new ATOM 0 H22 DG B 11 6.406 0.585 -3.500 1.00 0.00 H new ATOM 453 P DT B 12 2.997 6.322 -8.697 1.00 0.00 P ATOM 454 OP1 DT B 12 3.600 7.750 -8.661 1.00 0.00 O ATOM 455 OP2 DT B 12 2.357 6.017 -10.076 1.00 0.00 O ATOM 456 O5' DT B 12 4.150 5.300 -8.463 1.00 0.00 O ATOM 457 C5' DT B 12 4.868 5.346 -7.237 1.00 0.00 C ATOM 458 C4' DT B 12 6.023 4.342 -7.261 1.00 0.00 C ATOM 459 O4' DT B 12 5.532 3.072 -6.908 1.00 0.00 O ATOM 460 C3' DT B 12 6.691 4.112 -8.631 1.00 0.00 C ATOM 461 O3' DT B 12 7.906 4.820 -8.772 1.00 0.00 O ATOM 462 C2' DT B 12 6.949 2.610 -8.672 1.00 0.00 C ATOM 463 C1' DT B 12 6.463 2.096 -7.318 1.00 0.00 C ATOM 464 N1 DT B 12 5.762 0.798 -7.416 1.00 0.00 N ATOM 465 C2 DT B 12 6.375 -0.355 -6.949 1.00 0.00 C ATOM 466 O2 DT B 12 7.498 -0.304 -6.469 1.00 0.00 O ATOM 467 N3 DT B 12 5.696 -1.504 -7.059 1.00 0.00 N ATOM 468 C4 DT B 12 4.470 -1.637 -7.591 1.00 0.00 C ATOM 469 O4 DT B 12 3.938 -2.736 -7.655 1.00 0.00 O ATOM 470 C5 DT B 12 3.840 -0.401 -8.080 1.00 0.00 C ATOM 471 C7 DT B 12 2.459 -0.440 -8.673 1.00 0.00 C ATOM 472 C6 DT B 12 4.547 0.782 -7.958 1.00 0.00 C ATOM 0 H5' DT B 12 4.199 5.121 -6.407 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.254 6.352 -7.071 1.00 0.00 H new ATOM 0 H4' DT B 12 6.756 4.775 -6.581 1.00 0.00 H new ATOM 0 H3' DT B 12 6.057 4.469 -9.443 1.00 0.00 H new ATOM 0 H2' DT B 12 6.408 2.138 -9.492 1.00 0.00 H new ATOM 0 H2'' DT B 12 8.007 2.394 -8.821 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.289 4.639 -9.656 1.00 0.00 H new ATOM 0 H1' DT B 12 7.301 1.941 -6.639 1.00 0.00 H new ATOM 0 H3 DT B 12 6.148 -2.349 -6.709 1.00 0.00 H new ATOM 0 H71 DT B 12 1.957 0.510 -8.489 1.00 0.00 H new ATOM 0 H72 DT B 12 2.529 -0.612 -9.747 1.00 0.00 H new ATOM 0 H73 DT B 12 1.888 -1.247 -8.213 1.00 0.00 H new ATOM 0 H6 DT B 12 4.107 1.704 -8.307 1.00 0.00 H new TER 486 DT B 12