USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 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 Set 1.1: A 4 DT C7 :methyl 150:sc= -0.496 (180deg=-0.496) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.413 (180deg=-0.413) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.897 (180deg=-0.879) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.918 (180deg=-0.899) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.364 4.794 -8.355 1.00 0.00 P ATOM 2 OP1 DT A 1 5.549 5.397 -9.686 1.00 0.00 O ATOM 3 OP2 DT A 1 4.125 4.042 -8.053 1.00 0.00 O ATOM 4 O5' DT A 1 6.558 3.761 -8.134 1.00 0.00 O ATOM 5 C5' DT A 1 6.526 2.486 -8.747 1.00 0.00 C ATOM 6 C4' DT A 1 7.900 1.812 -8.634 1.00 0.00 C ATOM 7 O4' DT A 1 8.761 2.386 -9.613 1.00 0.00 O ATOM 8 C3' DT A 1 8.590 1.974 -7.267 1.00 0.00 C ATOM 9 O3' DT A 1 9.305 0.779 -7.001 1.00 0.00 O ATOM 10 C2' DT A 1 9.526 3.142 -7.523 1.00 0.00 C ATOM 11 C1' DT A 1 9.905 2.929 -8.980 1.00 0.00 C ATOM 12 N1 DT A 1 10.273 4.213 -9.622 1.00 0.00 N ATOM 13 C2 DT A 1 11.610 4.432 -9.915 1.00 0.00 C ATOM 14 O2 DT A 1 12.507 3.637 -9.670 1.00 0.00 O ATOM 15 N3 DT A 1 11.925 5.623 -10.518 1.00 0.00 N ATOM 16 C4 DT A 1 11.037 6.617 -10.851 1.00 0.00 C ATOM 17 O4 DT A 1 11.468 7.629 -11.389 1.00 0.00 O ATOM 18 C5 DT A 1 9.650 6.335 -10.510 1.00 0.00 C ATOM 19 C7 DT A 1 8.542 7.338 -10.801 1.00 0.00 C ATOM 20 C6 DT A 1 9.322 5.163 -9.916 1.00 0.00 C ATOM 0 H5' DT A 1 6.246 2.585 -9.796 1.00 0.00 H new ATOM 0 H5'' DT A 1 5.767 1.864 -8.272 1.00 0.00 H new ATOM 0 H4' DT A 1 7.723 0.746 -8.777 1.00 0.00 H new ATOM 0 H3' DT A 1 7.931 2.149 -6.416 1.00 0.00 H new ATOM 0 H2' DT A 1 9.034 4.102 -7.365 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.396 3.119 -6.867 1.00 0.00 H new ATOM 0 H1' DT A 1 10.766 2.266 -9.063 1.00 0.00 H new ATOM 0 H3 DT A 1 12.907 5.785 -10.739 1.00 0.00 H new ATOM 0 H71 DT A 1 7.609 6.806 -10.985 1.00 0.00 H new ATOM 0 H72 DT A 1 8.418 8.002 -9.946 1.00 0.00 H new ATOM 0 H73 DT A 1 8.805 7.925 -11.681 1.00 0.00 H new ATOM 0 H6 DT A 1 8.289 4.969 -9.667 1.00 0.00 H new ATOM 33 P DG A 2 9.952 0.500 -5.565 1.00 0.00 P ATOM 34 OP1 DG A 2 11.108 1.386 -5.343 1.00 0.00 O ATOM 35 OP2 DG A 2 10.098 -0.964 -5.340 1.00 0.00 O ATOM 36 O5' DG A 2 8.745 0.973 -4.631 1.00 0.00 O ATOM 37 C5' DG A 2 8.913 1.882 -3.567 1.00 0.00 C ATOM 38 C4' DG A 2 8.377 1.250 -2.291 1.00 0.00 C ATOM 39 O4' DG A 2 6.992 1.498 -2.235 1.00 0.00 O ATOM 40 C3' DG A 2 8.616 -0.250 -2.248 1.00 0.00 C ATOM 41 O3' DG A 2 9.004 -0.581 -0.939 1.00 0.00 O ATOM 42 C2' DG A 2 7.273 -0.818 -2.703 1.00 0.00 C ATOM 43 C1' DG A 2 6.277 0.301 -2.390 1.00 0.00 C ATOM 44 N9 DG A 2 5.288 0.508 -3.460 1.00 0.00 N ATOM 45 C8 DG A 2 5.474 0.612 -4.818 1.00 0.00 C ATOM 46 N7 DG A 2 4.389 0.928 -5.478 1.00 0.00 N ATOM 47 C5 DG A 2 3.427 1.059 -4.471 1.00 0.00 C ATOM 48 C6 DG A 2 2.059 1.455 -4.528 1.00 0.00 C ATOM 49 O6 DG A 2 1.442 1.817 -5.528 1.00 0.00 O ATOM 50 N1 DG A 2 1.435 1.471 -3.305 1.00 0.00 N ATOM 51 C2 DG A 2 2.072 1.194 -2.136 1.00 0.00 C ATOM 52 N2 DG A 2 1.362 1.248 -1.037 1.00 0.00 N ATOM 53 N3 DG A 2 3.357 0.880 -2.039 1.00 0.00 N ATOM 54 C4 DG A 2 3.975 0.821 -3.241 1.00 0.00 C ATOM 0 H5' DG A 2 8.385 2.812 -3.778 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.967 2.134 -3.449 1.00 0.00 H new ATOM 0 H4' DG A 2 8.900 1.687 -1.440 1.00 0.00 H new ATOM 0 H3' DG A 2 9.410 -0.647 -2.881 1.00 0.00 H new ATOM 0 H2' DG A 2 7.281 -1.061 -3.766 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.025 -1.735 -2.169 1.00 0.00 H new ATOM 0 H1' DG A 2 5.740 0.012 -1.487 1.00 0.00 H new ATOM 0 H8 DG A 2 6.428 0.448 -5.296 1.00 0.00 H new ATOM 0 H1 DG A 2 0.442 1.703 -3.272 1.00 0.00 H new ATOM 0 H21 DG A 2 1.799 1.048 -0.137 1.00 0.00 H new ATOM 0 H22 DG A 2 0.372 1.490 -1.081 1.00 0.00 H new ATOM 66 P DC A 3 9.409 -2.066 -0.581 1.00 0.00 P ATOM 67 OP1 DC A 3 10.146 -1.958 0.705 1.00 0.00 O ATOM 68 OP2 DC A 3 10.026 -2.694 -1.772 1.00 0.00 O ATOM 69 O5' DC A 3 8.009 -2.719 -0.247 1.00 0.00 O ATOM 70 C5' DC A 3 7.191 -2.103 0.732 1.00 0.00 C ATOM 71 C4' DC A 3 5.774 -2.639 0.792 1.00 0.00 C ATOM 72 O4' DC A 3 5.088 -2.028 -0.271 1.00 0.00 O ATOM 73 C3' DC A 3 5.642 -4.147 0.574 1.00 0.00 C ATOM 74 O3' DC A 3 5.379 -4.846 1.758 1.00 0.00 O ATOM 75 C2' DC A 3 4.405 -4.247 -0.293 1.00 0.00 C ATOM 76 C1' DC A 3 3.957 -2.807 -0.495 1.00 0.00 C ATOM 77 N1 DC A 3 3.541 -2.568 -1.883 1.00 0.00 N ATOM 78 C2 DC A 3 2.300 -2.026 -2.113 1.00 0.00 C ATOM 79 O2 DC A 3 1.597 -1.695 -1.171 1.00 0.00 O ATOM 80 N3 DC A 3 1.859 -1.852 -3.384 1.00 0.00 N ATOM 81 C4 DC A 3 2.647 -2.218 -4.384 1.00 0.00 C ATOM 82 N4 DC A 3 2.175 -2.026 -5.592 1.00 0.00 N ATOM 83 C5 DC A 3 3.947 -2.764 -4.185 1.00 0.00 C ATOM 84 C6 DC A 3 4.355 -2.905 -2.915 1.00 0.00 C ATOM 0 H5' DC A 3 7.153 -1.032 0.534 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.656 -2.231 1.709 1.00 0.00 H new ATOM 0 H4' DC A 3 5.391 -2.429 1.791 1.00 0.00 H new ATOM 0 H3' DC A 3 6.559 -4.567 0.159 1.00 0.00 H new ATOM 0 H2' DC A 3 4.627 -4.730 -1.245 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.629 -4.839 0.192 1.00 0.00 H new ATOM 0 H1' DC A 3 3.121 -2.580 0.166 1.00 0.00 H new ATOM 0 H41 DC A 3 2.733 -2.287 -6.405 1.00 0.00 H new ATOM 0 H42 DC A 3 1.250 -1.616 -5.719 1.00 0.00 H new ATOM 0 H5 DC A 3 4.574 -3.051 -5.016 1.00 0.00 H new ATOM 0 H6 DC A 3 5.343 -3.291 -2.711 1.00 0.00 H new ATOM 96 P DT A 4 6.567 -5.457 2.625 1.00 0.00 P ATOM 97 OP1 DT A 4 7.734 -4.539 2.568 1.00 0.00 O ATOM 98 OP2 DT A 4 6.744 -6.869 2.245 1.00 0.00 O ATOM 99 O5' DT A 4 5.923 -5.369 4.078 1.00 0.00 O ATOM 100 C5' DT A 4 5.958 -4.165 4.817 1.00 0.00 C ATOM 101 C4' DT A 4 5.153 -4.289 6.108 1.00 0.00 C ATOM 102 O4' DT A 4 3.817 -3.910 5.853 1.00 0.00 O ATOM 103 C3' DT A 4 5.167 -5.711 6.697 1.00 0.00 C ATOM 104 O3' DT A 4 5.310 -5.704 8.098 1.00 0.00 O ATOM 105 C2' DT A 4 3.772 -6.202 6.351 1.00 0.00 C ATOM 106 C1' DT A 4 2.953 -4.915 6.323 1.00 0.00 C ATOM 107 N1 DT A 4 1.808 -5.009 5.390 1.00 0.00 N ATOM 108 C2 DT A 4 0.588 -5.404 5.912 1.00 0.00 C ATOM 109 O2 DT A 4 0.412 -5.692 7.088 1.00 0.00 O ATOM 110 N3 DT A 4 -0.464 -5.484 5.035 1.00 0.00 N ATOM 111 C4 DT A 4 -0.411 -5.201 3.694 1.00 0.00 C ATOM 112 O4 DT A 4 -1.432 -5.325 3.027 1.00 0.00 O ATOM 113 C5 DT A 4 0.892 -4.777 3.208 1.00 0.00 C ATOM 114 C7 DT A 4 1.081 -4.421 1.742 1.00 0.00 C ATOM 115 C6 DT A 4 1.947 -4.700 4.055 1.00 0.00 C ATOM 0 H5' DT A 4 5.558 -3.352 4.212 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.991 -3.909 5.052 1.00 0.00 H new ATOM 0 H4' DT A 4 5.621 -3.634 6.843 1.00 0.00 H new ATOM 0 H3' DT A 4 5.990 -6.314 6.314 1.00 0.00 H new ATOM 0 H2' DT A 4 3.751 -6.715 5.389 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.395 -6.904 7.095 1.00 0.00 H new ATOM 0 H1' DT A 4 2.556 -4.713 7.318 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.364 -5.780 5.413 1.00 0.00 H new ATOM 0 H71 DT A 4 1.864 -3.668 1.648 1.00 0.00 H new ATOM 0 H72 DT A 4 1.367 -5.313 1.185 1.00 0.00 H new ATOM 0 H73 DT A 4 0.148 -4.026 1.340 1.00 0.00 H new ATOM 0 H6 DT A 4 2.911 -4.392 3.678 1.00 0.00 H new ATOM 128 P DC A 5 6.766 -5.825 8.756 1.00 0.00 P ATOM 129 OP1 DC A 5 7.723 -5.044 7.938 1.00 0.00 O ATOM 130 OP2 DC A 5 7.054 -7.248 9.014 1.00 0.00 O ATOM 131 O5' DC A 5 6.611 -5.077 10.165 1.00 0.00 O ATOM 132 C5' DC A 5 6.086 -3.767 10.262 1.00 0.00 C ATOM 133 C4' DC A 5 7.169 -2.671 10.291 1.00 0.00 C ATOM 134 O4' DC A 5 6.607 -1.603 11.040 1.00 0.00 O ATOM 135 C3' DC A 5 7.431 -2.018 8.925 1.00 0.00 C ATOM 136 O3' DC A 5 8.532 -1.144 9.024 1.00 0.00 O ATOM 137 C2' DC A 5 6.265 -1.049 8.807 1.00 0.00 C ATOM 138 C1' DC A 5 5.638 -1.000 10.202 1.00 0.00 C ATOM 139 N1 DC A 5 5.394 0.392 10.640 1.00 0.00 N ATOM 140 C2 DC A 5 4.109 0.767 11.007 1.00 0.00 C ATOM 141 O2 DC A 5 3.185 -0.038 10.999 1.00 0.00 O ATOM 142 N3 DC A 5 3.873 2.046 11.386 1.00 0.00 N ATOM 143 C4 DC A 5 4.866 2.910 11.413 1.00 0.00 C ATOM 144 N4 DC A 5 4.552 4.130 11.781 1.00 0.00 N ATOM 145 C5 DC A 5 6.202 2.569 11.073 1.00 0.00 C ATOM 146 C6 DC A 5 6.423 1.291 10.692 1.00 0.00 C ATOM 0 H5' DC A 5 5.481 -3.693 11.166 1.00 0.00 H new ATOM 0 H5'' DC A 5 5.421 -3.587 9.417 1.00 0.00 H new ATOM 0 H4' DC A 5 8.084 -3.130 10.666 1.00 0.00 H new ATOM 0 H3' DC A 5 7.570 -2.760 8.139 1.00 0.00 H new ATOM 0 H2' DC A 5 6.604 -0.062 8.493 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.544 -1.389 8.064 1.00 0.00 H new ATOM 0 H1' DC A 5 4.671 -1.503 10.227 1.00 0.00 H new ATOM 0 H41 DC A 5 5.272 4.851 11.824 1.00 0.00 H new ATOM 0 H42 DC A 5 3.588 4.357 12.024 1.00 0.00 H new ATOM 0 H5 DC A 5 7.001 3.294 11.117 1.00 0.00 H new ATOM 0 H6 DC A 5 7.422 0.977 10.426 1.00 0.00 H new ATOM 158 P DG A 6 9.515 -0.936 7.785 1.00 0.00 P ATOM 159 OP1 DG A 6 10.114 -2.267 7.507 1.00 0.00 O ATOM 160 OP2 DG A 6 10.389 0.217 8.059 1.00 0.00 O ATOM 161 O5' DG A 6 8.561 -0.572 6.536 1.00 0.00 O ATOM 162 C5' DG A 6 8.720 -1.282 5.325 1.00 0.00 C ATOM 163 C4' DG A 6 8.075 -0.650 4.088 1.00 0.00 C ATOM 164 O4' DG A 6 6.732 -1.066 4.020 1.00 0.00 O ATOM 165 C3' DG A 6 8.172 0.875 4.005 1.00 0.00 C ATOM 166 O3' DG A 6 8.733 1.179 2.740 1.00 0.00 O ATOM 167 C2' DG A 6 6.708 1.270 4.157 1.00 0.00 C ATOM 168 C1' DG A 6 5.909 0.032 3.734 1.00 0.00 C ATOM 169 N9 DG A 6 4.720 -0.166 4.567 1.00 0.00 N ATOM 170 C8 DG A 6 4.685 -0.241 5.926 1.00 0.00 C ATOM 171 N7 DG A 6 3.521 -0.555 6.419 1.00 0.00 N ATOM 172 C5 DG A 6 2.737 -0.765 5.280 1.00 0.00 C ATOM 173 C6 DG A 6 1.385 -1.197 5.130 1.00 0.00 C ATOM 174 O6 DG A 6 0.566 -1.482 5.996 1.00 0.00 O ATOM 175 N1 DG A 6 0.994 -1.315 3.816 1.00 0.00 N ATOM 176 C2 DG A 6 1.810 -1.065 2.759 1.00 0.00 C ATOM 177 N2 DG A 6 1.293 -1.198 1.563 1.00 0.00 N ATOM 178 N3 DG A 6 3.076 -0.681 2.857 1.00 0.00 N ATOM 179 C4 DG A 6 3.477 -0.552 4.144 1.00 0.00 C ATOM 0 H5' DG A 6 8.306 -2.282 5.456 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.786 -1.401 5.134 1.00 0.00 H new ATOM 0 H4' DG A 6 8.647 -1.001 3.229 1.00 0.00 H new ATOM 0 H3' DG A 6 8.793 1.392 4.736 1.00 0.00 H new ATOM 0 H2' DG A 6 6.481 1.552 5.185 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.465 2.128 3.530 1.00 0.00 H new ATOM 0 H1' DG A 6 5.614 0.142 2.691 1.00 0.00 H new ATOM 0 H8 DG A 6 5.551 -0.055 6.544 1.00 0.00 H new ATOM 0 H1 DG A 6 0.036 -1.607 3.624 1.00 0.00 H new ATOM 0 H21 DG A 6 1.865 -1.021 0.737 1.00 0.00 H new ATOM 0 H22 DG A 6 0.318 -1.478 1.457 1.00 0.00 H new ATOM 191 P DC A 7 9.000 2.681 2.261 1.00 0.00 P ATOM 192 OP1 DC A 7 9.836 2.545 1.035 1.00 0.00 O ATOM 193 OP2 DC A 7 9.460 3.516 3.374 1.00 0.00 O ATOM 194 O5' DC A 7 7.593 3.183 1.741 1.00 0.00 O ATOM 195 C5' DC A 7 7.010 2.513 0.646 1.00 0.00 C ATOM 196 C4' DC A 7 5.580 2.913 0.361 1.00 0.00 C ATOM 197 O4' DC A 7 4.814 2.267 1.343 1.00 0.00 O ATOM 198 C3' DC A 7 5.297 4.411 0.496 1.00 0.00 C ATOM 199 O3' DC A 7 5.085 5.029 -0.747 1.00 0.00 O ATOM 200 C2' DC A 7 3.974 4.434 1.224 1.00 0.00 C ATOM 201 C1' DC A 7 3.613 2.963 1.377 1.00 0.00 C ATOM 202 N1 DC A 7 3.009 2.718 2.688 1.00 0.00 N ATOM 203 C2 DC A 7 1.762 2.151 2.736 1.00 0.00 C ATOM 204 O2 DC A 7 1.234 1.778 1.700 1.00 0.00 O ATOM 205 N3 DC A 7 1.128 2.000 3.925 1.00 0.00 N ATOM 206 C4 DC A 7 1.745 2.398 5.028 1.00 0.00 C ATOM 207 N4 DC A 7 1.106 2.206 6.157 1.00 0.00 N ATOM 208 C5 DC A 7 3.050 2.971 5.016 1.00 0.00 C ATOM 209 C6 DC A 7 3.646 3.096 3.823 1.00 0.00 C ATOM 0 H5' DC A 7 7.044 1.440 0.832 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.612 2.702 -0.243 1.00 0.00 H new ATOM 0 H4' DC A 7 5.353 2.645 -0.671 1.00 0.00 H new ATOM 0 H3' DC A 7 6.126 4.927 0.980 1.00 0.00 H new ATOM 0 H2' DC A 7 4.060 4.927 2.192 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.216 4.974 0.657 1.00 0.00 H new ATOM 0 H1' DC A 7 2.914 2.661 0.596 1.00 0.00 H new ATOM 0 H41 DC A 7 1.531 2.492 7.039 1.00 0.00 H new ATOM 0 H42 DC A 7 0.184 1.771 6.153 1.00 0.00 H new ATOM 0 H5 DC A 7 3.536 3.290 5.926 1.00 0.00 H new ATOM 0 H6 DC A 7 4.645 3.502 3.765 1.00 0.00 H new ATOM 221 P DT A 8 6.270 5.725 -1.543 1.00 0.00 P ATOM 222 OP1 DT A 8 7.524 4.952 -1.350 1.00 0.00 O ATOM 223 OP2 DT A 8 6.252 7.164 -1.192 1.00 0.00 O ATOM 224 O5' DT A 8 5.739 5.572 -3.045 1.00 0.00 O ATOM 225 C5' DT A 8 6.016 4.421 -3.816 1.00 0.00 C ATOM 226 C4' DT A 8 5.291 4.448 -5.173 1.00 0.00 C ATOM 227 O4' DT A 8 3.924 4.061 -5.048 1.00 0.00 O ATOM 228 C3' DT A 8 5.332 5.835 -5.842 1.00 0.00 C ATOM 229 O3' DT A 8 5.618 5.929 -7.235 1.00 0.00 O ATOM 230 C2' DT A 8 3.949 6.379 -5.517 1.00 0.00 C ATOM 231 C1' DT A 8 3.084 5.130 -5.461 1.00 0.00 C ATOM 232 N1 DT A 8 1.924 5.273 -4.556 1.00 0.00 N ATOM 233 C2 DT A 8 0.730 5.708 -5.114 1.00 0.00 C ATOM 234 O2 DT A 8 0.603 6.040 -6.284 1.00 0.00 O ATOM 235 N3 DT A 8 -0.364 5.747 -4.291 1.00 0.00 N ATOM 236 C4 DT A 8 -0.382 5.378 -2.971 1.00 0.00 C ATOM 237 O4 DT A 8 -1.441 5.440 -2.360 1.00 0.00 O ATOM 238 C5 DT A 8 0.897 4.932 -2.444 1.00 0.00 C ATOM 239 C7 DT A 8 0.995 4.460 -1.006 1.00 0.00 C ATOM 240 C6 DT A 8 1.999 4.901 -3.237 1.00 0.00 C ATOM 0 H5' DT A 8 5.715 3.532 -3.262 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.091 4.345 -3.981 1.00 0.00 H new ATOM 0 H4' DT A 8 5.829 3.734 -5.798 1.00 0.00 H new ATOM 0 H3' DT A 8 6.188 6.390 -5.458 1.00 0.00 H new ATOM 0 H2' DT A 8 3.941 6.916 -4.569 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.601 7.075 -6.280 1.00 0.00 H new ATOM 0 H1' DT A 8 2.657 4.941 -6.446 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.240 6.079 -4.695 1.00 0.00 H new ATOM 0 H71 DT A 8 1.782 3.711 -0.922 1.00 0.00 H new ATOM 0 H72 DT A 8 1.229 5.306 -0.360 1.00 0.00 H new ATOM 0 H73 DT A 8 0.044 4.023 -0.701 1.00 0.00 H new ATOM 0 H6 DT A 8 2.945 4.580 -2.825 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -3.624 -3.653 -9.398 1.00 0.00 P ATOM 255 OP1 DT B 1 -2.676 -4.446 -10.202 1.00 0.00 O ATOM 256 OP2 DT B 1 -3.096 -2.552 -8.560 1.00 0.00 O ATOM 257 O5' DT B 1 -4.703 -2.970 -10.388 1.00 0.00 O ATOM 258 C5' DT B 1 -5.569 -1.912 -9.974 1.00 0.00 C ATOM 259 C4' DT B 1 -6.845 -2.410 -9.280 1.00 0.00 C ATOM 260 O4' DT B 1 -7.854 -2.985 -10.100 1.00 0.00 O ATOM 261 C3' DT B 1 -7.466 -1.777 -8.035 1.00 0.00 C ATOM 262 O3' DT B 1 -8.108 -0.529 -8.216 1.00 0.00 O ATOM 263 C2' DT B 1 -8.586 -2.823 -7.872 1.00 0.00 C ATOM 264 C1' DT B 1 -8.899 -3.430 -9.252 1.00 0.00 C ATOM 265 N1 DT B 1 -10.213 -2.980 -9.783 1.00 0.00 N ATOM 266 C2 DT B 1 -11.191 -3.932 -10.042 1.00 0.00 C ATOM 267 O2 DT B 1 -11.061 -5.131 -9.833 1.00 0.00 O ATOM 268 N3 DT B 1 -12.375 -3.480 -10.563 1.00 0.00 N ATOM 269 C4 DT B 1 -12.687 -2.172 -10.839 1.00 0.00 C ATOM 270 O4 DT B 1 -13.790 -1.920 -11.310 1.00 0.00 O ATOM 271 C5 DT B 1 -11.632 -1.218 -10.531 1.00 0.00 C ATOM 272 C7 DT B 1 -11.824 0.276 -10.758 1.00 0.00 C ATOM 273 C6 DT B 1 -10.454 -1.653 -10.024 1.00 0.00 C ATOM 0 H5' DT B 1 -5.845 -1.316 -10.844 1.00 0.00 H new ATOM 0 H5'' DT B 1 -5.028 -1.253 -9.295 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.209 -3.155 -8.802 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.738 -1.579 -7.248 1.00 0.00 H new ATOM 0 H2' DT B 1 -8.276 -3.604 -7.177 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.478 -2.359 -7.452 1.00 0.00 H new ATOM 0 H1' DT B 1 -8.960 -4.516 -9.188 1.00 0.00 H new ATOM 0 H3 DT B 1 -13.090 -4.179 -10.764 1.00 0.00 H new ATOM 0 H71 DT B 1 -11.230 0.833 -10.034 1.00 0.00 H new ATOM 0 H72 DT B 1 -11.503 0.535 -11.767 1.00 0.00 H new ATOM 0 H73 DT B 1 -12.877 0.530 -10.636 1.00 0.00 H new ATOM 0 H6 DT B 1 -9.681 -0.932 -9.803 1.00 0.00 H new ATOM 286 P DG B 2 -8.747 0.239 -6.950 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.134 -0.208 -6.730 1.00 0.00 O ATOM 288 OP2 DG B 2 -8.479 1.699 -7.022 1.00 0.00 O ATOM 289 O5' DG B 2 -7.831 -0.293 -5.749 1.00 0.00 O ATOM 290 C5' DG B 2 -8.226 -1.285 -4.816 1.00 0.00 C ATOM 291 C4' DG B 2 -7.942 -0.749 -3.411 1.00 0.00 C ATOM 292 O4' DG B 2 -6.601 -1.096 -3.143 1.00 0.00 O ATOM 293 C3' DG B 2 -8.099 0.772 -3.368 1.00 0.00 C ATOM 294 O3' DG B 2 -8.722 1.230 -2.193 1.00 0.00 O ATOM 295 C2' DG B 2 -6.660 1.249 -3.577 1.00 0.00 C ATOM 296 C1' DG B 2 -5.784 0.042 -3.231 1.00 0.00 C ATOM 297 N9 DG B 2 -4.686 -0.154 -4.196 1.00 0.00 N ATOM 298 C8 DG B 2 -4.664 -0.048 -5.570 1.00 0.00 C ATOM 299 N7 DG B 2 -3.475 -0.214 -6.089 1.00 0.00 N ATOM 300 C5 DG B 2 -2.668 -0.497 -4.981 1.00 0.00 C ATOM 301 C6 DG B 2 -1.289 -0.838 -4.884 1.00 0.00 C ATOM 302 O6 DG B 2 -0.497 -0.979 -5.815 1.00 0.00 O ATOM 303 N1 DG B 2 -0.859 -1.049 -3.595 1.00 0.00 N ATOM 304 C2 DG B 2 -1.672 -0.951 -2.511 1.00 0.00 C ATOM 305 N2 DG B 2 -1.126 -1.133 -1.337 1.00 0.00 N ATOM 306 N3 DG B 2 -2.965 -0.672 -2.566 1.00 0.00 N ATOM 307 C4 DG B 2 -3.405 -0.466 -3.831 1.00 0.00 C ATOM 0 H5' DG B 2 -7.678 -2.211 -4.989 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.285 -1.515 -4.930 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.634 -1.165 -2.679 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.775 1.174 -4.123 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.497 1.572 -4.605 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.430 2.100 -2.936 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.303 0.224 -2.270 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.545 0.153 -6.162 1.00 0.00 H new ATOM 0 H1 DG B 2 0.120 -1.291 -3.445 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.696 -1.069 -0.494 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.130 -1.339 -1.264 1.00 0.00 H new ATOM 319 P DC B 3 -8.971 2.795 -1.991 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.008 3.038 -0.959 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.063 3.433 -3.330 1.00 0.00 O ATOM 322 O5' DC B 3 -7.597 3.201 -1.308 1.00 0.00 O ATOM 323 C5' DC B 3 -7.140 2.460 -0.193 1.00 0.00 C ATOM 324 C4' DC B 3 -5.716 2.815 0.187 1.00 0.00 C ATOM 325 O4' DC B 3 -4.899 2.277 -0.819 1.00 0.00 O ATOM 326 C3' DC B 3 -5.457 4.321 0.225 1.00 0.00 C ATOM 327 O3' DC B 3 -5.327 4.803 1.541 1.00 0.00 O ATOM 328 C2' DC B 3 -4.118 4.443 -0.469 1.00 0.00 C ATOM 329 C1' DC B 3 -3.716 3.007 -0.791 1.00 0.00 C ATOM 330 N1 DC B 3 -3.130 2.896 -2.130 1.00 0.00 N ATOM 331 C2 DC B 3 -1.897 2.305 -2.259 1.00 0.00 C ATOM 332 O2 DC B 3 -1.349 1.815 -1.283 1.00 0.00 O ATOM 333 N3 DC B 3 -1.288 2.266 -3.468 1.00 0.00 N ATOM 334 C4 DC B 3 -1.921 2.777 -4.511 1.00 0.00 C ATOM 335 N4 DC B 3 -1.269 2.736 -5.647 1.00 0.00 N ATOM 336 C5 DC B 3 -3.230 3.334 -4.430 1.00 0.00 C ATOM 337 C6 DC B 3 -3.798 3.360 -3.215 1.00 0.00 C ATOM 0 H5' DC B 3 -7.199 1.395 -0.418 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.797 2.643 0.657 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.517 2.426 1.185 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.270 4.887 -0.229 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.195 5.045 -1.374 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.382 4.926 0.173 1.00 0.00 H new ATOM 0 H1' DC B 3 -2.989 2.661 -0.056 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.696 3.112 -6.494 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.335 2.328 -5.684 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.739 3.716 -5.303 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.797 3.754 -3.100 1.00 0.00 H new ATOM 349 P DT B 4 -6.576 5.401 2.333 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.825 4.721 1.917 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.483 6.876 2.208 1.00 0.00 O ATOM 352 O5' DT B 4 -6.241 5.024 3.848 1.00 0.00 O ATOM 353 C5' DT B 4 -6.352 3.701 4.340 1.00 0.00 C ATOM 354 C4' DT B 4 -5.749 3.590 5.756 1.00 0.00 C ATOM 355 O4' DT B 4 -4.366 3.318 5.622 1.00 0.00 O ATOM 356 C3' DT B 4 -5.872 4.853 6.634 1.00 0.00 C ATOM 357 O3' DT B 4 -5.749 4.694 8.039 1.00 0.00 O ATOM 358 C2' DT B 4 -4.569 5.565 6.290 1.00 0.00 C ATOM 359 C1' DT B 4 -3.630 4.359 6.233 1.00 0.00 C ATOM 360 N1 DT B 4 -2.404 4.629 5.449 1.00 0.00 N ATOM 361 C2 DT B 4 -1.284 5.057 6.144 1.00 0.00 C ATOM 362 O2 DT B 4 -1.273 5.290 7.345 1.00 0.00 O ATOM 363 N3 DT B 4 -0.139 5.252 5.413 1.00 0.00 N ATOM 364 C4 DT B 4 -0.004 5.041 4.064 1.00 0.00 C ATOM 365 O4 DT B 4 1.087 5.236 3.542 1.00 0.00 O ATOM 366 C5 DT B 4 -1.216 4.604 3.391 1.00 0.00 C ATOM 367 C7 DT B 4 -1.209 4.349 1.893 1.00 0.00 C ATOM 368 C6 DT B 4 -2.361 4.415 4.094 1.00 0.00 C ATOM 0 H5' DT B 4 -5.839 3.014 3.667 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.400 3.403 4.362 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.318 2.805 6.254 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.850 5.297 6.447 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.622 6.100 5.342 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.275 6.290 7.049 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.297 4.104 7.239 1.00 0.00 H new ATOM 0 H3 DT B 4 0.684 5.583 5.917 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.938 3.575 1.652 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.467 5.268 1.366 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.216 4.021 1.584 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.253 4.091 3.579 1.00 0.00 H new ATOM 381 P DC B 5 -6.548 3.618 8.922 1.00 0.00 P ATOM 382 OP1 DC B 5 -6.548 4.071 10.325 1.00 0.00 O ATOM 383 OP2 DC B 5 -6.024 2.272 8.595 1.00 0.00 O ATOM 384 O5' DC B 5 -8.057 3.644 8.403 1.00 0.00 O ATOM 385 C5' DC B 5 -9.000 2.757 8.979 1.00 0.00 C ATOM 386 C4' DC B 5 -10.246 2.626 8.102 1.00 0.00 C ATOM 387 O4' DC B 5 -10.997 3.829 8.098 1.00 0.00 O ATOM 388 C3' DC B 5 -9.875 2.312 6.647 1.00 0.00 C ATOM 389 O3' DC B 5 -10.365 1.050 6.238 1.00 0.00 O ATOM 390 C2' DC B 5 -10.552 3.436 5.873 1.00 0.00 C ATOM 391 C1' DC B 5 -11.622 3.921 6.839 1.00 0.00 C ATOM 392 N1 DC B 5 -11.980 5.326 6.550 1.00 0.00 N ATOM 393 C2 DC B 5 -13.189 5.591 5.925 1.00 0.00 C ATOM 394 O2 DC B 5 -13.939 4.679 5.599 1.00 0.00 O ATOM 395 N3 DC B 5 -13.534 6.876 5.665 1.00 0.00 N ATOM 396 C4 DC B 5 -12.712 7.851 5.996 1.00 0.00 C ATOM 397 N4 DC B 5 -13.113 9.069 5.716 1.00 0.00 N ATOM 398 C5 DC B 5 -11.444 7.625 6.596 1.00 0.00 C ATOM 399 C6 DC B 5 -11.119 6.341 6.858 1.00 0.00 C ATOM 0 H5' DC B 5 -9.285 3.117 9.968 1.00 0.00 H new ATOM 0 H5'' DC B 5 -8.544 1.776 9.116 1.00 0.00 H new ATOM 0 H4' DC B 5 -10.835 1.811 8.524 1.00 0.00 H new ATOM 0 H3' DC B 5 -8.798 2.260 6.489 1.00 0.00 H new ATOM 0 H2' DC B 5 -9.850 4.229 5.617 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.984 3.079 4.938 1.00 0.00 H new ATOM 0 H1' DC B 5 -12.544 3.344 6.775 1.00 0.00 H new ATOM 0 H41 DC B 5 -12.521 9.867 5.948 1.00 0.00 H new ATOM 0 H42 DC B 5 -14.017 9.218 5.267 1.00 0.00 H new ATOM 0 H5 DC B 5 -10.774 8.439 6.831 1.00 0.00 H new ATOM 0 H6 DC B 5 -10.168 6.114 7.316 1.00 0.00 H new ATOM 411 P DG B 6 -9.318 -0.115 5.903 1.00 0.00 P ATOM 412 OP1 DG B 6 -9.999 -1.325 5.366 1.00 0.00 O ATOM 413 OP2 DG B 6 -8.342 -0.238 7.017 1.00 0.00 O ATOM 414 O5' DG B 6 -8.508 0.553 4.701 1.00 0.00 O ATOM 415 C5' DG B 6 -9.135 1.089 3.554 1.00 0.00 C ATOM 416 C4' DG B 6 -8.477 0.512 2.301 1.00 0.00 C ATOM 417 O4' DG B 6 -7.123 0.911 2.365 1.00 0.00 O ATOM 418 C3' DG B 6 -8.560 -1.011 2.285 1.00 0.00 C ATOM 419 O3' DG B 6 -8.969 -1.515 1.032 1.00 0.00 O ATOM 420 C2' DG B 6 -7.169 -1.447 2.743 1.00 0.00 C ATOM 421 C1' DG B 6 -6.294 -0.211 2.533 1.00 0.00 C ATOM 422 N9 DG B 6 -5.363 -0.007 3.655 1.00 0.00 N ATOM 423 C8 DG B 6 -5.565 -0.166 4.995 1.00 0.00 C ATOM 424 N7 DG B 6 -4.537 0.119 5.744 1.00 0.00 N ATOM 425 C5 DG B 6 -3.559 0.488 4.804 1.00 0.00 C ATOM 426 C6 DG B 6 -2.200 0.917 4.941 1.00 0.00 C ATOM 427 O6 DG B 6 -1.552 1.129 5.960 1.00 0.00 O ATOM 428 N1 DG B 6 -1.570 1.120 3.730 1.00 0.00 N ATOM 429 C2 DG B 6 -2.172 0.959 2.525 1.00 0.00 C ATOM 430 N2 DG B 6 -1.452 1.148 1.450 1.00 0.00 N ATOM 431 N3 DG B 6 -3.436 0.614 2.359 1.00 0.00 N ATOM 432 C4 DG B 6 -4.066 0.394 3.534 1.00 0.00 C ATOM 0 H5' DG B 6 -9.052 2.176 3.555 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.199 0.851 3.562 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.976 0.869 1.400 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.329 -1.416 2.943 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.174 -1.757 3.788 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.806 -2.294 2.161 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.687 -0.358 1.640 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.506 -0.503 5.404 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.592 1.409 3.742 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.873 1.035 0.528 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.469 1.408 1.534 1.00 0.00 H new ATOM 444 P DC B 7 -9.103 -3.090 0.811 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.906 -3.397 -0.398 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.448 -3.693 2.127 1.00 0.00 O ATOM 447 O5' DC B 7 -7.609 -3.456 0.402 1.00 0.00 O ATOM 448 C5' DC B 7 -6.981 -2.713 -0.632 1.00 0.00 C ATOM 449 C4' DC B 7 -5.496 -2.995 -0.742 1.00 0.00 C ATOM 450 O4' DC B 7 -4.902 -2.406 0.382 1.00 0.00 O ATOM 451 C3' DC B 7 -5.138 -4.481 -0.708 1.00 0.00 C ATOM 452 O3' DC B 7 -4.722 -4.957 -1.961 1.00 0.00 O ATOM 453 C2' DC B 7 -3.932 -4.508 0.206 1.00 0.00 C ATOM 454 C1' DC B 7 -3.678 -3.043 0.537 1.00 0.00 C ATOM 455 N1 DC B 7 -3.304 -2.883 1.943 1.00 0.00 N ATOM 456 C2 DC B 7 -2.108 -2.282 2.244 1.00 0.00 C ATOM 457 O2 DC B 7 -1.417 -1.818 1.347 1.00 0.00 O ATOM 458 N3 DC B 7 -1.697 -2.200 3.532 1.00 0.00 N ATOM 459 C4 DC B 7 -2.471 -2.712 4.477 1.00 0.00 C ATOM 460 N4 DC B 7 -2.035 -2.601 5.706 1.00 0.00 N ATOM 461 C5 DC B 7 -3.726 -3.329 4.202 1.00 0.00 C ATOM 462 C6 DC B 7 -4.106 -3.374 2.919 1.00 0.00 C ATOM 0 H5' DC B 7 -7.131 -1.649 -0.451 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.461 -2.945 -1.583 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.152 -2.605 -1.700 1.00 0.00 H new ATOM 0 H3' DC B 7 -5.988 -5.090 -0.400 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.128 -5.091 1.106 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.070 -4.960 -0.285 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.883 -2.648 -0.096 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.586 -2.975 6.478 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.144 -2.140 5.891 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.340 -3.740 4.990 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.061 -3.806 2.659 1.00 0.00 H new ATOM 474 P DT B 8 -5.742 -5.629 -2.979 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.081 -5.000 -2.848 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.611 -7.096 -2.807 1.00 0.00 O ATOM 477 O5' DT B 8 -5.073 -5.232 -4.374 1.00 0.00 O ATOM 478 C5' DT B 8 -5.303 -3.975 -4.982 1.00 0.00 C ATOM 479 C4' DT B 8 -4.348 -3.765 -6.166 1.00 0.00 C ATOM 480 O4' DT B 8 -3.055 -3.411 -5.704 1.00 0.00 O ATOM 481 C3' DT B 8 -4.226 -4.970 -7.102 1.00 0.00 C ATOM 482 O3' DT B 8 -4.474 -4.678 -8.475 1.00 0.00 O ATOM 483 C2' DT B 8 -2.835 -5.489 -6.781 1.00 0.00 C ATOM 484 C1' DT B 8 -2.086 -4.260 -6.288 1.00 0.00 C ATOM 485 N1 DT B 8 -1.063 -4.596 -5.277 1.00 0.00 N ATOM 486 C2 DT B 8 0.217 -4.869 -5.734 1.00 0.00 C ATOM 487 O2 DT B 8 0.521 -4.928 -6.917 1.00 0.00 O ATOM 488 N3 DT B 8 1.184 -5.065 -4.783 1.00 0.00 N ATOM 489 C4 DT B 8 1.007 -4.945 -3.429 1.00 0.00 C ATOM 490 O4 DT B 8 1.978 -5.090 -2.697 1.00 0.00 O ATOM 491 C5 DT B 8 -0.351 -4.636 -3.013 1.00 0.00 C ATOM 492 C7 DT B 8 -0.658 -4.372 -1.550 1.00 0.00 C ATOM 493 C6 DT B 8 -1.336 -4.496 -3.935 1.00 0.00 C ATOM 0 H5' DT B 8 -5.164 -3.180 -4.250 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.336 -3.915 -5.325 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.791 -2.957 -6.748 1.00 0.00 H new ATOM 0 H3' DT B 8 -4.995 -5.725 -6.939 1.00 0.00 H new ATOM 0 H2' DT B 8 -2.866 -6.269 -6.020 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.358 -5.921 -7.661 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.563 -3.791 -7.122 1.00 0.00 H new ATOM 0 H3 DT B 8 2.115 -5.322 -5.111 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.496 -3.679 -1.473 1.00 0.00 H new ATOM 0 H72 DT B 8 -0.916 -5.310 -1.057 1.00 0.00 H new ATOM 0 H73 DT B 8 0.217 -3.937 -1.067 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.348 -4.303 -3.610 1.00 0.00 H new TER 506 DT B 8