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= -0.341 (180deg=-0.341) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.591 (180deg=-0.591) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -1.1 (180deg=-1.1) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.795 (180deg=-0.795) 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 5.219 4.723 -8.411 1.00 0.00 P ATOM 2 OP1 DT A 1 5.399 5.303 -9.753 1.00 0.00 O ATOM 3 OP2 DT A 1 3.991 3.958 -8.098 1.00 0.00 O ATOM 4 O5' DT A 1 6.430 3.719 -8.164 1.00 0.00 O ATOM 5 C5' DT A 1 6.447 2.438 -8.759 1.00 0.00 C ATOM 6 C4' DT A 1 7.842 1.818 -8.597 1.00 0.00 C ATOM 7 O4' DT A 1 8.703 2.396 -9.573 1.00 0.00 O ATOM 8 C3' DT A 1 8.493 2.060 -7.221 1.00 0.00 C ATOM 9 O3' DT A 1 9.262 0.919 -6.899 1.00 0.00 O ATOM 10 C2' DT A 1 9.369 3.269 -7.492 1.00 0.00 C ATOM 11 C1' DT A 1 9.800 3.019 -8.929 1.00 0.00 C ATOM 12 N1 DT A 1 10.129 4.291 -9.615 1.00 0.00 N ATOM 13 C2 DT A 1 11.457 4.537 -9.929 1.00 0.00 C ATOM 14 O2 DT A 1 12.378 3.774 -9.669 1.00 0.00 O ATOM 15 N3 DT A 1 11.732 5.712 -10.579 1.00 0.00 N ATOM 16 C4 DT A 1 10.813 6.665 -10.943 1.00 0.00 C ATOM 17 O4 DT A 1 11.210 7.667 -11.525 1.00 0.00 O ATOM 18 C5 DT A 1 9.438 6.357 -10.582 1.00 0.00 C ATOM 19 C7 DT A 1 8.307 7.325 -10.905 1.00 0.00 C ATOM 20 C6 DT A 1 9.147 5.200 -9.938 1.00 0.00 C ATOM 0 H5' DT A 1 6.191 2.513 -9.816 1.00 0.00 H new ATOM 0 H5'' DT A 1 5.697 1.799 -8.293 1.00 0.00 H new ATOM 0 H4' DT A 1 7.710 0.742 -8.710 1.00 0.00 H new ATOM 0 H3' DT A 1 7.805 2.225 -6.391 1.00 0.00 H new ATOM 0 H2' DT A 1 8.820 4.205 -7.386 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.219 3.319 -6.812 1.00 0.00 H new ATOM 0 H1' DT A 1 10.694 2.396 -8.958 1.00 0.00 H new ATOM 0 H3 DT A 1 12.708 5.895 -10.814 1.00 0.00 H new ATOM 0 H71 DT A 1 7.385 6.767 -11.065 1.00 0.00 H new ATOM 0 H72 DT A 1 8.172 8.017 -10.074 1.00 0.00 H new ATOM 0 H73 DT A 1 8.554 7.885 -11.807 1.00 0.00 H new ATOM 0 H6 DT A 1 8.122 4.987 -9.673 1.00 0.00 H new ATOM 33 P DG A 2 9.904 0.731 -5.445 1.00 0.00 P ATOM 34 OP1 DG A 2 11.002 1.695 -5.259 1.00 0.00 O ATOM 35 OP2 DG A 2 10.155 -0.717 -5.234 1.00 0.00 O ATOM 36 O5' DG A 2 8.673 1.144 -4.497 1.00 0.00 O ATOM 37 C5' DG A 2 8.843 1.900 -3.311 1.00 0.00 C ATOM 38 C4' DG A 2 8.323 1.137 -2.094 1.00 0.00 C ATOM 39 O4' DG A 2 6.940 1.403 -2.045 1.00 0.00 O ATOM 40 C3' DG A 2 8.559 -0.369 -2.194 1.00 0.00 C ATOM 41 O3' DG A 2 8.996 -0.887 -0.958 1.00 0.00 O ATOM 42 C2' DG A 2 7.202 -0.880 -2.674 1.00 0.00 C ATOM 43 C1' DG A 2 6.217 0.237 -2.322 1.00 0.00 C ATOM 44 N9 DG A 2 5.255 0.505 -3.403 1.00 0.00 N ATOM 45 C8 DG A 2 5.453 0.606 -4.758 1.00 0.00 C ATOM 46 N7 DG A 2 4.370 0.907 -5.429 1.00 0.00 N ATOM 47 C5 DG A 2 3.398 1.034 -4.431 1.00 0.00 C ATOM 48 C6 DG A 2 2.026 1.409 -4.501 1.00 0.00 C ATOM 49 O6 DG A 2 1.409 1.744 -5.510 1.00 0.00 O ATOM 50 N1 DG A 2 1.394 1.437 -3.282 1.00 0.00 N ATOM 51 C2 DG A 2 2.020 1.154 -2.110 1.00 0.00 C ATOM 52 N2 DG A 2 1.303 1.211 -1.017 1.00 0.00 N ATOM 53 N3 DG A 2 3.304 0.843 -2.001 1.00 0.00 N ATOM 54 C4 DG A 2 3.937 0.801 -3.197 1.00 0.00 C ATOM 0 H5' DG A 2 8.315 2.849 -3.402 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.899 2.134 -3.174 1.00 0.00 H new ATOM 0 H4' DG A 2 8.851 1.460 -1.197 1.00 0.00 H new ATOM 0 H3' DG A 2 9.353 -0.676 -2.874 1.00 0.00 H new ATOM 0 H2' DG A 2 7.210 -1.077 -3.746 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.934 -1.814 -2.180 1.00 0.00 H new ATOM 0 H1' DG A 2 5.643 -0.086 -1.453 1.00 0.00 H new ATOM 0 H8 DG A 2 6.414 0.451 -5.227 1.00 0.00 H new ATOM 0 H1 DG A 2 0.404 1.683 -3.255 1.00 0.00 H new ATOM 0 H21 DG A 2 1.732 1.006 -0.114 1.00 0.00 H new ATOM 0 H22 DG A 2 0.315 1.460 -1.068 1.00 0.00 H new ATOM 66 P DC A 3 9.334 -2.438 -0.796 1.00 0.00 P ATOM 67 OP1 DC A 3 10.165 -2.663 0.410 1.00 0.00 O ATOM 68 OP2 DC A 3 9.771 -2.971 -2.109 1.00 0.00 O ATOM 69 O5' DC A 3 7.898 -3.015 -0.441 1.00 0.00 O ATOM 70 C5' DC A 3 7.185 -2.447 0.639 1.00 0.00 C ATOM 71 C4' DC A 3 5.751 -2.936 0.738 1.00 0.00 C ATOM 72 O4' DC A 3 5.069 -2.277 -0.300 1.00 0.00 O ATOM 73 C3' DC A 3 5.579 -4.441 0.500 1.00 0.00 C ATOM 74 O3' DC A 3 5.313 -5.200 1.656 1.00 0.00 O ATOM 75 C2' DC A 3 4.351 -4.489 -0.387 1.00 0.00 C ATOM 76 C1' DC A 3 3.936 -3.033 -0.574 1.00 0.00 C ATOM 77 N1 DC A 3 3.563 -2.736 -1.960 1.00 0.00 N ATOM 78 C2 DC A 3 2.356 -2.124 -2.198 1.00 0.00 C ATOM 79 O2 DC A 3 1.661 -1.757 -1.261 1.00 0.00 O ATOM 80 N3 DC A 3 1.935 -1.925 -3.471 1.00 0.00 N ATOM 81 C4 DC A 3 2.721 -2.309 -4.463 1.00 0.00 C ATOM 82 N4 DC A 3 2.255 -2.110 -5.672 1.00 0.00 N ATOM 83 C5 DC A 3 4.010 -2.879 -4.257 1.00 0.00 C ATOM 84 C6 DC A 3 4.392 -3.059 -2.985 1.00 0.00 C ATOM 0 H5' DC A 3 7.185 -1.362 0.534 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.705 -2.677 1.569 1.00 0.00 H new ATOM 0 H4' DC A 3 5.386 -2.736 1.745 1.00 0.00 H new ATOM 0 H3' DC A 3 6.497 -4.866 0.095 1.00 0.00 H new ATOM 0 H2' DC A 3 4.575 -4.961 -1.344 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.553 -5.070 0.076 1.00 0.00 H new ATOM 0 H1' DC A 3 3.081 -2.820 0.068 1.00 0.00 H new ATOM 0 H41 DC A 3 2.809 -2.383 -6.484 1.00 0.00 H new ATOM 0 H42 DC A 3 1.338 -1.683 -5.801 1.00 0.00 H new ATOM 0 H5 DC A 3 4.648 -3.153 -5.085 1.00 0.00 H new ATOM 0 H6 DC A 3 5.370 -3.465 -2.773 1.00 0.00 H new ATOM 96 P DT A 4 6.481 -5.692 2.631 1.00 0.00 P ATOM 97 OP1 DT A 4 7.712 -4.889 2.469 1.00 0.00 O ATOM 98 OP2 DT A 4 6.596 -7.167 2.628 1.00 0.00 O ATOM 99 O5' DT A 4 5.894 -5.396 4.075 1.00 0.00 O ATOM 100 C5' DT A 4 6.003 -4.139 4.700 1.00 0.00 C ATOM 101 C4' DT A 4 5.228 -4.152 6.021 1.00 0.00 C ATOM 102 O4' DT A 4 3.967 -3.566 5.775 1.00 0.00 O ATOM 103 C3' DT A 4 5.013 -5.537 6.668 1.00 0.00 C ATOM 104 O3' DT A 4 5.668 -5.706 7.907 1.00 0.00 O ATOM 105 C2' DT A 4 3.514 -5.591 6.902 1.00 0.00 C ATOM 106 C1' DT A 4 2.940 -4.259 6.442 1.00 0.00 C ATOM 107 N1 DT A 4 1.806 -4.482 5.515 1.00 0.00 N ATOM 108 C2 DT A 4 0.576 -4.753 6.092 1.00 0.00 C ATOM 109 O2 DT A 4 0.394 -4.790 7.302 1.00 0.00 O ATOM 110 N3 DT A 4 -0.463 -5.018 5.240 1.00 0.00 N ATOM 111 C4 DT A 4 -0.403 -4.993 3.871 1.00 0.00 C ATOM 112 O4 DT A 4 -1.423 -5.221 3.233 1.00 0.00 O ATOM 113 C5 DT A 4 0.907 -4.687 3.321 1.00 0.00 C ATOM 114 C7 DT A 4 1.096 -4.578 1.816 1.00 0.00 C ATOM 115 C6 DT A 4 1.961 -4.459 4.146 1.00 0.00 C ATOM 0 H5' DT A 4 5.611 -3.361 4.045 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.051 -3.903 4.884 1.00 0.00 H new ATOM 0 H4' DT A 4 5.839 -3.602 6.737 1.00 0.00 H new ATOM 0 H3' DT A 4 5.417 -6.318 6.023 1.00 0.00 H new ATOM 0 H2' DT A 4 3.067 -6.415 6.346 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.295 -5.761 7.956 1.00 0.00 H new ATOM 0 H1' DT A 4 2.574 -3.688 7.295 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.361 -5.255 5.662 1.00 0.00 H new ATOM 0 H71 DT A 4 1.897 -3.871 1.600 1.00 0.00 H new ATOM 0 H72 DT A 4 1.356 -5.556 1.410 1.00 0.00 H new ATOM 0 H73 DT A 4 0.171 -4.230 1.357 1.00 0.00 H new ATOM 0 H6 DT A 4 2.934 -4.257 3.723 1.00 0.00 H new ATOM 128 P DC A 5 7.112 -6.396 7.992 1.00 0.00 P ATOM 129 OP1 DC A 5 7.359 -7.140 6.731 1.00 0.00 O ATOM 130 OP2 DC A 5 7.204 -7.109 9.289 1.00 0.00 O ATOM 131 O5' DC A 5 8.115 -5.162 8.052 1.00 0.00 O ATOM 132 C5' DC A 5 8.034 -4.202 9.091 1.00 0.00 C ATOM 133 C4' DC A 5 9.244 -3.267 9.022 1.00 0.00 C ATOM 134 O4' DC A 5 10.407 -3.993 9.405 1.00 0.00 O ATOM 135 C3' DC A 5 9.456 -2.760 7.590 1.00 0.00 C ATOM 136 O3' DC A 5 9.621 -1.361 7.524 1.00 0.00 O ATOM 137 C2' DC A 5 10.740 -3.453 7.172 1.00 0.00 C ATOM 138 C1' DC A 5 11.444 -3.683 8.498 1.00 0.00 C ATOM 139 N1 DC A 5 12.366 -4.830 8.352 1.00 0.00 N ATOM 140 C2 DC A 5 13.717 -4.575 8.169 1.00 0.00 C ATOM 141 O2 DC A 5 14.151 -3.432 8.225 1.00 0.00 O ATOM 142 N3 DC A 5 14.557 -5.608 7.913 1.00 0.00 N ATOM 143 C4 DC A 5 14.078 -6.832 7.827 1.00 0.00 C ATOM 144 N4 DC A 5 14.947 -7.774 7.537 1.00 0.00 N ATOM 145 C5 DC A 5 12.698 -7.137 7.971 1.00 0.00 C ATOM 146 C6 DC A 5 11.875 -6.100 8.233 1.00 0.00 C ATOM 0 H5' DC A 5 8.002 -4.701 10.059 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.112 -3.628 8.998 1.00 0.00 H new ATOM 0 H4' DC A 5 9.068 -2.420 9.686 1.00 0.00 H new ATOM 0 H3' DC A 5 8.597 -2.973 6.953 1.00 0.00 H new ATOM 0 H2' DC A 5 10.543 -4.390 6.651 1.00 0.00 H new ATOM 0 H2'' DC A 5 11.334 -2.833 6.500 1.00 0.00 H new ATOM 0 H1' DC A 5 12.028 -2.826 8.833 1.00 0.00 H new ATOM 0 H41 DC A 5 14.640 -8.743 7.456 1.00 0.00 H new ATOM 0 H42 DC A 5 15.928 -7.536 7.393 1.00 0.00 H new ATOM 0 H5 DC A 5 12.327 -8.147 7.876 1.00 0.00 H new ATOM 0 H6 DC A 5 10.816 -6.276 8.350 1.00 0.00 H new ATOM 158 P DG A 6 8.359 -0.431 7.201 1.00 0.00 P ATOM 159 OP1 DG A 6 8.793 0.964 6.929 1.00 0.00 O ATOM 160 OP2 DG A 6 7.271 -0.698 8.180 1.00 0.00 O ATOM 161 O5' DG A 6 7.821 -1.040 5.824 1.00 0.00 O ATOM 162 C5' DG A 6 8.661 -1.346 4.727 1.00 0.00 C ATOM 163 C4' DG A 6 8.130 -0.682 3.458 1.00 0.00 C ATOM 164 O4' DG A 6 6.798 -1.133 3.316 1.00 0.00 O ATOM 165 C3' DG A 6 8.157 0.836 3.601 1.00 0.00 C ATOM 166 O3' DG A 6 8.728 1.475 2.481 1.00 0.00 O ATOM 167 C2' DG A 6 6.696 1.183 3.877 1.00 0.00 C ATOM 168 C1' DG A 6 5.910 -0.049 3.424 1.00 0.00 C ATOM 169 N9 DG A 6 4.823 -0.360 4.364 1.00 0.00 N ATOM 170 C8 DG A 6 4.822 -0.335 5.728 1.00 0.00 C ATOM 171 N7 DG A 6 3.682 -0.633 6.290 1.00 0.00 N ATOM 172 C5 DG A 6 2.849 -0.868 5.181 1.00 0.00 C ATOM 173 C6 DG A 6 1.469 -1.237 5.068 1.00 0.00 C ATOM 174 O6 DG A 6 0.659 -1.473 5.959 1.00 0.00 O ATOM 175 N1 DG A 6 1.045 -1.369 3.763 1.00 0.00 N ATOM 176 C2 DG A 6 1.845 -1.189 2.681 1.00 0.00 C ATOM 177 N2 DG A 6 1.322 -1.358 1.493 1.00 0.00 N ATOM 178 N3 DG A 6 3.124 -0.869 2.744 1.00 0.00 N ATOM 179 C4 DG A 6 3.557 -0.721 4.014 1.00 0.00 C ATOM 0 H5' DG A 6 8.712 -2.426 4.588 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.676 -1.003 4.929 1.00 0.00 H new ATOM 0 H4' DG A 6 8.738 -0.937 2.590 1.00 0.00 H new ATOM 0 H3' DG A 6 8.803 1.193 4.403 1.00 0.00 H new ATOM 0 H2' DG A 6 6.532 1.390 4.934 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.390 2.072 3.326 1.00 0.00 H new ATOM 0 H1' DG A 6 5.452 0.151 2.456 1.00 0.00 H new ATOM 0 H8 DG A 6 5.702 -0.086 6.302 1.00 0.00 H new ATOM 0 H1 DG A 6 0.069 -1.617 3.600 1.00 0.00 H new ATOM 0 H21 DG A 6 1.897 -1.230 0.660 1.00 0.00 H new ATOM 0 H22 DG A 6 0.340 -1.617 1.400 1.00 0.00 H new ATOM 191 P DC A 7 8.826 3.069 2.435 1.00 0.00 P ATOM 192 OP1 DC A 7 9.798 3.525 1.411 1.00 0.00 O ATOM 193 OP2 DC A 7 8.918 3.548 3.840 1.00 0.00 O ATOM 194 O5' DC A 7 7.403 3.430 1.825 1.00 0.00 O ATOM 195 C5' DC A 7 6.980 2.785 0.634 1.00 0.00 C ATOM 196 C4' DC A 7 5.525 3.070 0.313 1.00 0.00 C ATOM 197 O4' DC A 7 4.786 2.363 1.275 1.00 0.00 O ATOM 198 C3' DC A 7 5.144 4.545 0.445 1.00 0.00 C ATOM 199 O3' DC A 7 4.892 5.134 -0.805 1.00 0.00 O ATOM 200 C2' DC A 7 3.836 4.485 1.197 1.00 0.00 C ATOM 201 C1' DC A 7 3.552 2.995 1.341 1.00 0.00 C ATOM 202 N1 DC A 7 2.996 2.696 2.662 1.00 0.00 N ATOM 203 C2 DC A 7 1.790 2.048 2.739 1.00 0.00 C ATOM 204 O2 DC A 7 1.256 1.638 1.719 1.00 0.00 O ATOM 205 N3 DC A 7 1.198 1.857 3.942 1.00 0.00 N ATOM 206 C4 DC A 7 1.820 2.283 5.030 1.00 0.00 C ATOM 207 N4 DC A 7 1.205 2.066 6.167 1.00 0.00 N ATOM 208 C5 DC A 7 3.099 2.912 4.993 1.00 0.00 C ATOM 209 C6 DC A 7 3.648 3.088 3.784 1.00 0.00 C ATOM 0 H5' DC A 7 7.124 1.709 0.735 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.605 3.114 -0.197 1.00 0.00 H new ATOM 0 H4' DC A 7 5.332 2.783 -0.721 1.00 0.00 H new ATOM 0 H3' DC A 7 5.935 5.126 0.920 1.00 0.00 H new ATOM 0 H2' DC A 7 3.914 4.971 2.170 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.040 4.991 0.651 1.00 0.00 H new ATOM 0 H1' DC A 7 2.849 2.673 0.573 1.00 0.00 H new ATOM 0 H41 DC A 7 1.630 2.370 7.043 1.00 0.00 H new ATOM 0 H42 DC A 7 0.301 1.594 6.176 1.00 0.00 H new ATOM 0 H5 DC A 7 3.600 3.231 5.895 1.00 0.00 H new ATOM 0 H6 DC A 7 4.622 3.548 3.702 1.00 0.00 H new ATOM 221 P DT A 8 6.044 5.869 -1.626 1.00 0.00 P ATOM 222 OP1 DT A 8 7.336 5.173 -1.390 1.00 0.00 O ATOM 223 OP2 DT A 8 5.950 7.313 -1.346 1.00 0.00 O ATOM 224 O5' DT A 8 5.549 5.596 -3.127 1.00 0.00 O ATOM 225 C5' DT A 8 5.889 4.421 -3.839 1.00 0.00 C ATOM 226 C4' DT A 8 5.190 4.411 -5.216 1.00 0.00 C ATOM 227 O4' DT A 8 3.823 4.014 -5.101 1.00 0.00 O ATOM 228 C3' DT A 8 5.216 5.791 -5.907 1.00 0.00 C ATOM 229 O3' DT A 8 5.461 5.877 -7.308 1.00 0.00 O ATOM 230 C2' DT A 8 3.837 6.336 -5.568 1.00 0.00 C ATOM 231 C1' DT A 8 2.975 5.086 -5.498 1.00 0.00 C ATOM 232 N1 DT A 8 1.823 5.240 -4.583 1.00 0.00 N ATOM 233 C2 DT A 8 0.636 5.709 -5.127 1.00 0.00 C ATOM 234 O2 DT A 8 0.501 6.035 -6.298 1.00 0.00 O ATOM 235 N3 DT A 8 -0.444 5.790 -4.287 1.00 0.00 N ATOM 236 C4 DT A 8 -0.454 5.433 -2.964 1.00 0.00 C ATOM 237 O4 DT A 8 -1.501 5.537 -2.337 1.00 0.00 O ATOM 238 C5 DT A 8 0.817 4.945 -2.454 1.00 0.00 C ATOM 239 C7 DT A 8 0.924 4.482 -1.013 1.00 0.00 C ATOM 240 C6 DT A 8 1.904 4.877 -3.263 1.00 0.00 C ATOM 0 H5' DT A 8 5.593 3.542 -3.267 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.970 4.367 -3.971 1.00 0.00 H new ATOM 0 H4' DT A 8 5.750 3.696 -5.818 1.00 0.00 H new ATOM 0 H3' DT A 8 6.085 6.341 -5.545 1.00 0.00 H new ATOM 0 H2' DT A 8 3.840 6.876 -4.621 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.480 7.029 -6.330 1.00 0.00 H new ATOM 0 H1' DT A 8 2.534 4.887 -6.475 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.315 6.147 -4.680 1.00 0.00 H new ATOM 0 H71 DT A 8 1.685 3.705 -0.936 1.00 0.00 H new ATOM 0 H72 DT A 8 1.200 5.325 -0.380 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.036 4.083 -0.687 1.00 0.00 H new ATOM 0 H6 DT A 8 2.846 4.532 -2.862 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -3.957 -3.858 -9.554 1.00 0.00 P ATOM 255 OP1 DT B 1 -3.871 -4.356 -10.938 1.00 0.00 O ATOM 256 OP2 DT B 1 -2.839 -3.068 -8.988 1.00 0.00 O ATOM 257 O5' DT B 1 -5.246 -2.924 -9.462 1.00 0.00 O ATOM 258 C5' DT B 1 -5.260 -1.669 -10.109 1.00 0.00 C ATOM 259 C4' DT B 1 -6.637 -1.004 -9.979 1.00 0.00 C ATOM 260 O4' DT B 1 -7.522 -1.596 -10.927 1.00 0.00 O ATOM 261 C3' DT B 1 -7.302 -1.139 -8.598 1.00 0.00 C ATOM 262 O3' DT B 1 -8.024 0.059 -8.364 1.00 0.00 O ATOM 263 C2' DT B 1 -8.231 -2.322 -8.813 1.00 0.00 C ATOM 264 C1' DT B 1 -8.657 -2.110 -10.256 1.00 0.00 C ATOM 265 N1 DT B 1 -9.071 -3.398 -10.858 1.00 0.00 N ATOM 266 C2 DT B 1 -10.425 -3.613 -11.065 1.00 0.00 C ATOM 267 O2 DT B 1 -11.296 -2.788 -10.825 1.00 0.00 O ATOM 268 N3 DT B 1 -10.786 -4.832 -11.573 1.00 0.00 N ATOM 269 C4 DT B 1 -9.932 -5.860 -11.884 1.00 0.00 C ATOM 270 O4 DT B 1 -10.407 -6.900 -12.326 1.00 0.00 O ATOM 271 C5 DT B 1 -8.524 -5.580 -11.639 1.00 0.00 C ATOM 272 C7 DT B 1 -7.451 -6.625 -11.912 1.00 0.00 C ATOM 273 C6 DT B 1 -8.147 -4.377 -11.142 1.00 0.00 C ATOM 0 H5' DT B 1 -5.010 -1.795 -11.162 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.497 -1.023 -9.675 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.460 0.058 -10.147 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.634 -1.288 -7.750 1.00 0.00 H new ATOM 0 H2' DT B 1 -7.722 -3.275 -8.671 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.079 -2.308 -8.128 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.504 -1.428 -10.329 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.780 -4.990 -11.735 1.00 0.00 H new ATOM 0 H71 DT B 1 -6.520 -6.128 -12.186 1.00 0.00 H new ATOM 0 H72 DT B 1 -7.292 -7.226 -11.017 1.00 0.00 H new ATOM 0 H73 DT B 1 -7.771 -7.271 -12.730 1.00 0.00 H new ATOM 0 H6 DT B 1 -7.099 -4.183 -10.965 1.00 0.00 H new ATOM 286 P DG B 2 -8.792 0.315 -6.988 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.045 -0.459 -6.948 1.00 0.00 O ATOM 288 OP2 DG B 2 -8.833 1.771 -6.688 1.00 0.00 O ATOM 289 O5' DG B 2 -7.744 -0.329 -5.967 1.00 0.00 O ATOM 290 C5' DG B 2 -8.099 -1.309 -5.018 1.00 0.00 C ATOM 291 C4' DG B 2 -7.769 -0.786 -3.627 1.00 0.00 C ATOM 292 O4' DG B 2 -6.410 -1.058 -3.388 1.00 0.00 O ATOM 293 C3' DG B 2 -8.012 0.709 -3.504 1.00 0.00 C ATOM 294 O3' DG B 2 -8.615 0.936 -2.258 1.00 0.00 O ATOM 295 C2' DG B 2 -6.614 1.295 -3.679 1.00 0.00 C ATOM 296 C1' DG B 2 -5.674 0.135 -3.341 1.00 0.00 C ATOM 297 N9 DG B 2 -4.544 0.013 -4.276 1.00 0.00 N ATOM 298 C8 DG B 2 -4.522 0.056 -5.650 1.00 0.00 C ATOM 299 N7 DG B 2 -3.355 -0.216 -6.170 1.00 0.00 N ATOM 300 C5 DG B 2 -2.555 -0.472 -5.052 1.00 0.00 C ATOM 301 C6 DG B 2 -1.199 -0.896 -4.948 1.00 0.00 C ATOM 302 O6 DG B 2 -0.445 -1.176 -5.877 1.00 0.00 O ATOM 303 N1 DG B 2 -0.764 -1.043 -3.652 1.00 0.00 N ATOM 304 C2 DG B 2 -1.564 -0.859 -2.569 1.00 0.00 C ATOM 305 N2 DG B 2 -1.025 -1.030 -1.389 1.00 0.00 N ATOM 306 N3 DG B 2 -2.846 -0.526 -2.630 1.00 0.00 N ATOM 307 C4 DG B 2 -3.278 -0.342 -3.899 1.00 0.00 C ATOM 0 H5' DG B 2 -7.558 -2.235 -5.211 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.162 -1.539 -5.092 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.416 -1.276 -2.900 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.687 1.166 -4.227 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.456 1.651 -4.697 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.453 2.144 -3.015 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.261 0.331 -2.351 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.391 0.293 -6.246 1.00 0.00 H new ATOM 0 H1 DG B 2 0.210 -1.304 -3.495 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.588 -0.902 -0.548 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.042 -1.291 -1.310 1.00 0.00 H new ATOM 319 P DC B 3 -9.098 2.385 -1.848 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.027 2.159 -0.709 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.530 3.113 -3.063 1.00 0.00 O ATOM 322 O5' DC B 3 -7.778 3.012 -1.243 1.00 0.00 O ATOM 323 C5' DC B 3 -7.160 2.338 -0.166 1.00 0.00 C ATOM 324 C4' DC B 3 -5.763 2.812 0.166 1.00 0.00 C ATOM 325 O4' DC B 3 -4.939 2.298 -0.845 1.00 0.00 O ATOM 326 C3' DC B 3 -5.589 4.330 0.143 1.00 0.00 C ATOM 327 O3' DC B 3 -5.500 4.888 1.430 1.00 0.00 O ATOM 328 C2' DC B 3 -4.239 4.493 -0.523 1.00 0.00 C ATOM 329 C1' DC B 3 -3.783 3.069 -0.817 1.00 0.00 C ATOM 330 N1 DC B 3 -3.168 2.961 -2.144 1.00 0.00 N ATOM 331 C2 DC B 3 -1.925 2.386 -2.247 1.00 0.00 C ATOM 332 O2 DC B 3 -1.385 1.915 -1.256 1.00 0.00 O ATOM 333 N3 DC B 3 -1.294 2.343 -3.446 1.00 0.00 N ATOM 334 C4 DC B 3 -1.910 2.849 -4.503 1.00 0.00 C ATOM 335 N4 DC B 3 -1.249 2.788 -5.633 1.00 0.00 N ATOM 336 C5 DC B 3 -3.218 3.409 -4.445 1.00 0.00 C ATOM 337 C6 DC B 3 -3.812 3.429 -3.244 1.00 0.00 C ATOM 0 H5' DC B 3 -7.121 1.274 -0.397 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.785 2.449 0.720 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.528 2.481 1.177 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.430 4.819 -0.348 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.316 5.082 -1.437 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.534 5.008 0.130 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.055 2.756 -0.068 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.664 3.159 -6.487 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.319 2.369 -5.658 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.707 3.798 -5.326 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.814 3.822 -3.150 1.00 0.00 H new ATOM 349 P DT B 4 -6.793 5.444 2.175 1.00 0.00 P ATOM 350 OP1 DT B 4 -7.998 4.694 1.741 1.00 0.00 O ATOM 351 OP2 DT B 4 -6.727 6.912 1.992 1.00 0.00 O ATOM 352 O5' DT B 4 -6.448 5.112 3.696 1.00 0.00 O ATOM 353 C5' DT B 4 -6.646 3.820 4.232 1.00 0.00 C ATOM 354 C4' DT B 4 -6.116 3.717 5.667 1.00 0.00 C ATOM 355 O4' DT B 4 -4.762 3.302 5.585 1.00 0.00 O ATOM 356 C3' DT B 4 -6.147 5.026 6.473 1.00 0.00 C ATOM 357 O3' DT B 4 -6.271 4.804 7.862 1.00 0.00 O ATOM 358 C2' DT B 4 -4.730 5.539 6.289 1.00 0.00 C ATOM 359 C1' DT B 4 -3.945 4.229 6.267 1.00 0.00 C ATOM 360 N1 DT B 4 -2.651 4.377 5.560 1.00 0.00 N ATOM 361 C2 DT B 4 -1.530 4.651 6.329 1.00 0.00 C ATOM 362 O2 DT B 4 -1.547 4.748 7.548 1.00 0.00 O ATOM 363 N3 DT B 4 -0.351 4.847 5.657 1.00 0.00 N ATOM 364 C4 DT B 4 -0.187 4.800 4.298 1.00 0.00 C ATOM 365 O4 DT B 4 0.926 5.016 3.832 1.00 0.00 O ATOM 366 C5 DT B 4 -1.391 4.490 3.545 1.00 0.00 C ATOM 367 C7 DT B 4 -1.326 4.411 2.029 1.00 0.00 C ATOM 368 C6 DT B 4 -2.568 4.286 4.190 1.00 0.00 C ATOM 0 H5' DT B 4 -6.144 3.084 3.604 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.709 3.579 4.218 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.771 3.020 6.190 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.970 5.664 6.151 1.00 0.00 H new ATOM 0 H2' DT B 4 -4.613 6.105 5.365 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.419 6.192 7.104 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.709 3.907 7.281 1.00 0.00 H new ATOM 0 H3 DT B 4 0.477 5.045 6.219 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.069 3.699 1.670 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.530 5.394 1.604 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.332 4.083 1.724 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.453 4.049 3.618 1.00 0.00 H new ATOM 381 P DC B 5 -7.694 4.741 8.576 1.00 0.00 P ATOM 382 OP1 DC B 5 -8.562 5.793 8.006 1.00 0.00 O ATOM 383 OP2 DC B 5 -7.514 4.896 10.034 1.00 0.00 O ATOM 384 O5' DC B 5 -8.354 3.319 8.292 1.00 0.00 O ATOM 385 C5' DC B 5 -9.745 3.151 8.442 1.00 0.00 C ATOM 386 C4' DC B 5 -10.128 1.679 8.336 1.00 0.00 C ATOM 387 O4' DC B 5 -11.493 1.511 8.689 1.00 0.00 O ATOM 388 C3' DC B 5 -10.056 1.215 6.888 1.00 0.00 C ATOM 389 O3' DC B 5 -10.019 -0.203 6.852 1.00 0.00 O ATOM 390 C2' DC B 5 -11.383 1.749 6.339 1.00 0.00 C ATOM 391 C1' DC B 5 -12.273 1.917 7.578 1.00 0.00 C ATOM 392 N1 DC B 5 -13.508 1.104 7.492 1.00 0.00 N ATOM 393 C2 DC B 5 -14.741 1.728 7.622 1.00 0.00 C ATOM 394 O2 DC B 5 -14.821 2.939 7.797 1.00 0.00 O ATOM 395 N3 DC B 5 -15.872 0.988 7.545 1.00 0.00 N ATOM 396 C4 DC B 5 -15.787 -0.313 7.353 1.00 0.00 C ATOM 397 N4 DC B 5 -16.925 -0.963 7.281 1.00 0.00 N ATOM 398 C5 DC B 5 -14.550 -0.997 7.212 1.00 0.00 C ATOM 399 C6 DC B 5 -13.433 -0.242 7.291 1.00 0.00 C ATOM 0 H5' DC B 5 -10.269 3.724 7.677 1.00 0.00 H new ATOM 0 H5'' DC B 5 -10.061 3.545 9.408 1.00 0.00 H new ATOM 0 H4' DC B 5 -9.450 1.124 8.984 1.00 0.00 H new ATOM 0 H3' DC B 5 -9.184 1.555 6.330 1.00 0.00 H new ATOM 0 H2' DC B 5 -11.244 2.697 5.819 1.00 0.00 H new ATOM 0 H2'' DC B 5 -11.825 1.055 5.624 1.00 0.00 H new ATOM 0 H1' DC B 5 -12.598 2.954 7.667 1.00 0.00 H new ATOM 0 H41 DC B 5 -16.927 -1.972 7.133 1.00 0.00 H new ATOM 0 H42 DC B 5 -17.807 -0.459 7.373 1.00 0.00 H new ATOM 0 H5 DC B 5 -14.505 -2.064 7.050 1.00 0.00 H new ATOM 0 H6 DC B 5 -12.466 -0.712 7.193 1.00 0.00 H new ATOM 411 P DG B 6 -9.771 -0.962 5.473 1.00 0.00 P ATOM 412 OP1 DG B 6 -11.016 -1.118 4.693 1.00 0.00 O ATOM 413 OP2 DG B 6 -9.017 -2.220 5.642 1.00 0.00 O ATOM 414 O5' DG B 6 -8.816 0.068 4.713 1.00 0.00 O ATOM 415 C5' DG B 6 -9.280 0.946 3.707 1.00 0.00 C ATOM 416 C4' DG B 6 -8.525 0.582 2.433 1.00 0.00 C ATOM 417 O4' DG B 6 -7.193 1.017 2.588 1.00 0.00 O ATOM 418 C3' DG B 6 -8.533 -0.922 2.244 1.00 0.00 C ATOM 419 O3' DG B 6 -8.853 -1.220 0.916 1.00 0.00 O ATOM 420 C2' DG B 6 -7.153 -1.364 2.722 1.00 0.00 C ATOM 421 C1' DG B 6 -6.321 -0.088 2.613 1.00 0.00 C ATOM 422 N9 DG B 6 -5.364 0.070 3.723 1.00 0.00 N ATOM 423 C8 DG B 6 -5.548 -0.073 5.076 1.00 0.00 C ATOM 424 N7 DG B 6 -4.471 0.151 5.780 1.00 0.00 N ATOM 425 C5 DG B 6 -3.516 0.514 4.826 1.00 0.00 C ATOM 426 C6 DG B 6 -2.149 0.914 4.945 1.00 0.00 C ATOM 427 O6 DG B 6 -1.473 1.079 5.955 1.00 0.00 O ATOM 428 N1 DG B 6 -1.548 1.156 3.730 1.00 0.00 N ATOM 429 C2 DG B 6 -2.186 1.054 2.537 1.00 0.00 C ATOM 430 N2 DG B 6 -1.484 1.286 1.457 1.00 0.00 N ATOM 431 N3 DG B 6 -3.460 0.729 2.389 1.00 0.00 N ATOM 432 C4 DG B 6 -4.064 0.467 3.572 1.00 0.00 C ATOM 0 H5' DG B 6 -9.097 1.984 3.983 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.355 0.839 3.565 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.994 1.051 1.568 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.288 -1.465 2.812 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.182 -1.739 3.745 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.748 -2.163 2.101 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.735 -0.152 1.696 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.495 -0.345 5.517 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.565 1.428 3.727 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.924 1.220 0.539 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.497 1.532 1.533 1.00 0.00 H new ATOM 444 P DC B 7 -9.118 -2.724 0.504 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.833 -2.631 -0.796 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.699 -3.432 1.672 1.00 0.00 O ATOM 447 O5' DC B 7 -7.648 -3.211 0.180 1.00 0.00 O ATOM 448 C5' DC B 7 -6.901 -2.469 -0.765 1.00 0.00 C ATOM 449 C4' DC B 7 -5.432 -2.826 -0.848 1.00 0.00 C ATOM 450 O4' DC B 7 -4.842 -2.247 0.283 1.00 0.00 O ATOM 451 C3' DC B 7 -5.137 -4.324 -0.792 1.00 0.00 C ATOM 452 O3' DC B 7 -4.727 -4.823 -2.038 1.00 0.00 O ATOM 453 C2' DC B 7 -3.943 -4.387 0.134 1.00 0.00 C ATOM 454 C1' DC B 7 -3.645 -2.930 0.460 1.00 0.00 C ATOM 455 N1 DC B 7 -3.280 -2.771 1.871 1.00 0.00 N ATOM 456 C2 DC B 7 -2.098 -2.149 2.178 1.00 0.00 C ATOM 457 O2 DC B 7 -1.421 -1.666 1.283 1.00 0.00 O ATOM 458 N3 DC B 7 -1.693 -2.058 3.467 1.00 0.00 N ATOM 459 C4 DC B 7 -2.475 -2.554 4.415 1.00 0.00 C ATOM 460 N4 DC B 7 -2.059 -2.395 5.649 1.00 0.00 N ATOM 461 C5 DC B 7 -3.726 -3.177 4.135 1.00 0.00 C ATOM 462 C6 DC B 7 -4.089 -3.249 2.848 1.00 0.00 C ATOM 0 H5' DC B 7 -6.988 -1.410 -0.523 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.349 -2.609 -1.749 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.052 -2.473 -1.807 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.011 -4.898 -0.485 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.167 -4.959 1.035 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.092 -4.870 -0.346 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.829 -2.570 -0.167 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.615 -2.754 6.425 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.179 -1.912 5.832 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.351 -3.572 4.923 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.038 -3.693 2.585 1.00 0.00 H new ATOM 474 P DT B 8 -5.772 -5.419 -3.086 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.037 -4.640 -3.012 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.823 -6.879 -2.899 1.00 0.00 O ATOM 477 O5' DT B 8 -5.017 -5.086 -4.460 1.00 0.00 O ATOM 478 C5' DT B 8 -5.208 -3.859 -5.138 1.00 0.00 C ATOM 479 C4' DT B 8 -4.309 -3.763 -6.384 1.00 0.00 C ATOM 480 O4' DT B 8 -2.976 -3.400 -6.028 1.00 0.00 O ATOM 481 C3' DT B 8 -4.248 -5.097 -7.160 1.00 0.00 C ATOM 482 O3' DT B 8 -4.314 -5.090 -8.582 1.00 0.00 O ATOM 483 C2' DT B 8 -2.923 -5.674 -6.688 1.00 0.00 C ATOM 484 C1' DT B 8 -2.083 -4.437 -6.407 1.00 0.00 C ATOM 485 N1 DT B 8 -1.061 -4.667 -5.364 1.00 0.00 N ATOM 486 C2 DT B 8 0.200 -5.066 -5.787 1.00 0.00 C ATOM 487 O2 DT B 8 0.497 -5.263 -6.956 1.00 0.00 O ATOM 488 N3 DT B 8 1.157 -5.226 -4.821 1.00 0.00 N ATOM 489 C4 DT B 8 0.980 -5.015 -3.480 1.00 0.00 C ATOM 490 O4 DT B 8 1.935 -5.179 -2.731 1.00 0.00 O ATOM 491 C5 DT B 8 -0.358 -4.590 -3.097 1.00 0.00 C ATOM 492 C7 DT B 8 -0.666 -4.294 -1.641 1.00 0.00 C ATOM 493 C6 DT B 8 -1.327 -4.442 -4.035 1.00 0.00 C ATOM 0 H5' DT B 8 -4.989 -3.031 -4.464 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.253 -3.763 -5.433 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.754 -2.997 -7.019 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.155 -5.662 -6.945 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.047 -6.288 -5.796 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.466 -6.306 -7.449 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.526 -4.166 -7.304 1.00 0.00 H new ATOM 0 H3 DT B 8 2.082 -5.529 -5.127 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.444 -3.532 -1.581 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.011 -5.204 -1.150 1.00 0.00 H new ATOM 0 H73 DT B 8 0.235 -3.933 -1.145 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.320 -4.144 -3.733 1.00 0.00 H new TER 506 DT B 8