USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 0 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 Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.303 (180deg=-0.303) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot -15:sc= 0.185 USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT C7 :methyl -30:sc= -0.21 (180deg=-0.464) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.247 (180deg=-0.247) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.904 -10.464 -7.200 1.00 0.00 O ATOM 2 C5' DG A 1 8.929 -9.460 -7.386 1.00 0.00 C ATOM 3 C4' DG A 1 9.576 -8.067 -7.295 1.00 0.00 C ATOM 4 O4' DG A 1 8.790 -7.080 -7.951 1.00 0.00 O ATOM 5 C3' DG A 1 9.819 -7.596 -5.867 1.00 0.00 C ATOM 6 O3' DG A 1 11.122 -7.050 -5.767 1.00 0.00 O ATOM 7 C2' DG A 1 8.742 -6.536 -5.700 1.00 0.00 C ATOM 8 C1' DG A 1 8.625 -5.955 -7.100 1.00 0.00 C ATOM 9 N9 DG A 1 7.286 -5.390 -7.324 1.00 0.00 N ATOM 10 C8 DG A 1 6.110 -6.072 -7.297 1.00 0.00 C ATOM 11 N7 DG A 1 5.065 -5.366 -7.629 1.00 0.00 N ATOM 12 C5 DG A 1 5.598 -4.102 -7.877 1.00 0.00 C ATOM 13 C6 DG A 1 4.961 -2.889 -8.273 1.00 0.00 C ATOM 14 O6 DG A 1 3.777 -2.708 -8.546 1.00 0.00 O ATOM 15 N1 DG A 1 5.840 -1.819 -8.339 1.00 0.00 N ATOM 16 C2 DG A 1 7.188 -1.909 -8.091 1.00 0.00 C ATOM 17 N2 DG A 1 7.913 -0.798 -8.109 1.00 0.00 N ATOM 18 N3 DG A 1 7.802 -3.047 -7.766 1.00 0.00 N ATOM 19 C4 DG A 1 6.956 -4.103 -7.668 1.00 0.00 C ATOM 0 H5' DG A 1 8.149 -9.556 -6.631 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.450 -9.584 -8.357 1.00 0.00 H new ATOM 0 H4' DG A 1 10.540 -8.183 -7.789 1.00 0.00 H new ATOM 0 H3' DG A 1 9.767 -8.374 -5.105 1.00 0.00 H new ATOM 0 H2' DG A 1 7.800 -6.966 -5.360 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.029 -5.779 -4.970 1.00 0.00 H new ATOM 0 HO5' DG A 1 9.481 -11.346 -7.258 1.00 0.00 H new ATOM 0 H1' DG A 1 9.349 -5.158 -7.271 1.00 0.00 H new ATOM 0 H8 DG A 1 6.046 -7.115 -7.023 1.00 0.00 H new ATOM 0 H1 DG A 1 5.461 -0.905 -8.588 1.00 0.00 H new ATOM 0 H21 DG A 1 8.916 -0.840 -7.928 1.00 0.00 H new ATOM 0 H22 DG A 1 7.467 0.099 -8.304 1.00 0.00 H new ATOM 20 P DT A 2 11.737 -6.569 -4.357 1.00 0.00 P ATOM 21 OP1 DT A 2 13.208 -6.487 -4.490 1.00 0.00 O ATOM 22 OP2 DT A 2 11.143 -7.400 -3.288 1.00 0.00 O ATOM 23 O5' DT A 2 11.163 -5.072 -4.203 1.00 0.00 O ATOM 24 C5' DT A 2 11.668 -4.012 -4.991 1.00 0.00 C ATOM 25 C4' DT A 2 10.970 -2.680 -4.682 1.00 0.00 C ATOM 26 O4' DT A 2 9.644 -2.623 -5.186 1.00 0.00 O ATOM 27 C3' DT A 2 10.892 -2.347 -3.187 1.00 0.00 C ATOM 28 O3' DT A 2 11.612 -1.144 -2.964 1.00 0.00 O ATOM 29 C2' DT A 2 9.393 -2.228 -2.939 1.00 0.00 C ATOM 30 C1' DT A 2 8.891 -1.802 -4.310 1.00 0.00 C ATOM 31 N1 DT A 2 7.441 -2.030 -4.496 1.00 0.00 N ATOM 32 C2 DT A 2 6.634 -0.995 -4.965 1.00 0.00 C ATOM 33 O2 DT A 2 7.033 0.147 -5.168 1.00 0.00 O ATOM 34 N3 DT A 2 5.317 -1.318 -5.218 1.00 0.00 N ATOM 35 C4 DT A 2 4.724 -2.538 -4.981 1.00 0.00 C ATOM 36 O4 DT A 2 3.530 -2.685 -5.224 1.00 0.00 O ATOM 37 C5 DT A 2 5.622 -3.561 -4.474 1.00 0.00 C ATOM 38 C7 DT A 2 5.092 -4.950 -4.174 1.00 0.00 C ATOM 39 C6 DT A 2 6.930 -3.275 -4.261 1.00 0.00 C ATOM 0 H5' DT A 2 11.539 -4.252 -6.046 1.00 0.00 H new ATOM 0 H5'' DT A 2 12.739 -3.909 -4.816 1.00 0.00 H new ATOM 0 H4' DT A 2 11.605 -1.949 -5.183 1.00 0.00 H new ATOM 0 H3' DT A 2 11.332 -3.079 -2.510 1.00 0.00 H new ATOM 0 H2' DT A 2 8.954 -3.172 -2.617 1.00 0.00 H new ATOM 0 H2'' DT A 2 9.162 -1.491 -2.170 1.00 0.00 H new ATOM 0 H1' DT A 2 9.016 -0.732 -4.476 1.00 0.00 H new ATOM 0 H3 DT A 2 4.729 -0.586 -5.617 1.00 0.00 H new ATOM 0 H71 DT A 2 5.885 -5.683 -4.326 1.00 0.00 H new ATOM 0 H72 DT A 2 4.751 -4.994 -3.140 1.00 0.00 H new ATOM 0 H73 DT A 2 4.259 -5.173 -4.840 1.00 0.00 H new ATOM 0 H6 DT A 2 7.585 -4.052 -3.896 1.00 0.00 H new ATOM 40 P DA A 3 11.661 -0.398 -1.539 1.00 0.00 P ATOM 41 OP1 DA A 3 12.974 0.274 -1.416 1.00 0.00 O ATOM 42 OP2 DA A 3 11.218 -1.342 -0.490 1.00 0.00 O ATOM 43 O5' DA A 3 10.526 0.730 -1.716 1.00 0.00 O ATOM 44 C5' DA A 3 10.767 1.873 -2.518 1.00 0.00 C ATOM 45 C4' DA A 3 9.672 2.935 -2.370 1.00 0.00 C ATOM 46 O4' DA A 3 8.438 2.456 -2.887 1.00 0.00 O ATOM 47 C3' DA A 3 9.451 3.302 -0.896 1.00 0.00 C ATOM 48 O3' DA A 3 9.726 4.638 -0.476 1.00 0.00 O ATOM 49 C2' DA A 3 8.031 2.810 -0.622 1.00 0.00 C ATOM 50 C1' DA A 3 7.381 2.803 -2.008 1.00 0.00 C ATOM 51 N9 DA A 3 6.320 1.777 -2.134 1.00 0.00 N ATOM 52 C8 DA A 3 6.431 0.447 -1.838 1.00 0.00 C ATOM 53 N7 DA A 3 5.385 -0.277 -2.129 1.00 0.00 N ATOM 54 C5 DA A 3 4.507 0.656 -2.671 1.00 0.00 C ATOM 55 C6 DA A 3 3.207 0.549 -3.198 1.00 0.00 C ATOM 56 N6 DA A 3 2.562 -0.612 -3.275 1.00 0.00 N ATOM 57 N1 DA A 3 2.587 1.652 -3.643 1.00 0.00 N ATOM 58 C2 DA A 3 3.236 2.810 -3.580 1.00 0.00 C ATOM 59 N3 DA A 3 4.463 3.044 -3.129 1.00 0.00 N ATOM 60 C4 DA A 3 5.061 1.911 -2.680 1.00 0.00 C ATOM 0 H5' DA A 3 10.837 1.571 -3.563 1.00 0.00 H new ATOM 0 H5'' DA A 3 11.729 2.307 -2.246 1.00 0.00 H new ATOM 0 H4' DA A 3 10.003 3.813 -2.925 1.00 0.00 H new ATOM 0 H3' DA A 3 10.208 2.823 -0.275 1.00 0.00 H new ATOM 0 H2' DA A 3 8.030 1.817 -0.173 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.503 3.471 0.066 1.00 0.00 H new ATOM 0 H1' DA A 3 6.913 3.765 -2.215 1.00 0.00 H new ATOM 0 H8 DA A 3 7.321 0.025 -1.395 1.00 0.00 H new ATOM 0 H61 DA A 3 1.620 -0.647 -3.664 1.00 0.00 H new ATOM 0 H62 DA A 3 3.010 -1.467 -2.945 1.00 0.00 H new ATOM 0 H2 DA A 3 2.696 3.672 -3.942 1.00 0.00 H new ATOM 61 P DT A 4 9.166 6.008 -1.137 1.00 0.00 P ATOM 62 OP1 DT A 4 9.456 6.004 -2.586 1.00 0.00 O ATOM 63 OP2 DT A 4 9.696 7.122 -0.322 1.00 0.00 O ATOM 64 O5' DT A 4 7.570 6.004 -0.946 1.00 0.00 O ATOM 65 C5' DT A 4 6.775 6.830 -1.776 1.00 0.00 C ATOM 66 C4' DT A 4 5.312 6.895 -1.333 1.00 0.00 C ATOM 67 O4' DT A 4 4.702 5.624 -1.370 1.00 0.00 O ATOM 68 C3' DT A 4 5.049 7.517 0.043 1.00 0.00 C ATOM 69 O3' DT A 4 4.252 8.678 -0.143 1.00 0.00 O ATOM 70 C2' DT A 4 4.342 6.382 0.752 1.00 0.00 C ATOM 71 C1' DT A 4 3.687 5.622 -0.394 1.00 0.00 C ATOM 72 N1 DT A 4 3.343 4.209 -0.117 1.00 0.00 N ATOM 73 C2 DT A 4 2.209 3.691 -0.728 1.00 0.00 C ATOM 74 O2 DT A 4 1.388 4.375 -1.331 1.00 0.00 O ATOM 75 N3 DT A 4 2.033 2.330 -0.638 1.00 0.00 N ATOM 76 C4 DT A 4 2.815 1.454 0.072 1.00 0.00 C ATOM 77 O4 DT A 4 2.467 0.278 0.167 1.00 0.00 O ATOM 78 C5 DT A 4 4.021 2.044 0.620 1.00 0.00 C ATOM 79 C7 DT A 4 5.030 1.171 1.340 1.00 0.00 C ATOM 80 C6 DT A 4 4.242 3.378 0.501 1.00 0.00 C ATOM 0 H5' DT A 4 6.822 6.459 -2.800 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.192 7.837 -1.782 1.00 0.00 H new ATOM 0 H4' DT A 4 4.869 7.571 -2.064 1.00 0.00 H new ATOM 0 H3' DT A 4 5.915 7.859 0.609 1.00 0.00 H new ATOM 0 H2' DT A 4 5.040 5.755 1.306 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.606 6.748 1.467 1.00 0.00 H new ATOM 0 H1' DT A 4 2.737 6.092 -0.649 1.00 0.00 H new ATOM 0 H3 DT A 4 1.244 1.933 -1.149 1.00 0.00 H new ATOM 0 H71 DT A 4 6.029 1.589 1.213 1.00 0.00 H new ATOM 0 H72 DT A 4 4.785 1.131 2.401 1.00 0.00 H new ATOM 0 H73 DT A 4 5.003 0.164 0.924 1.00 0.00 H new ATOM 0 H6 DT A 4 5.152 3.797 0.905 1.00 0.00 H new ATOM 81 P DA A 5 3.523 9.460 1.059 1.00 0.00 P ATOM 82 OP1 DA A 5 3.282 10.850 0.612 1.00 0.00 O ATOM 83 OP2 DA A 5 4.278 9.222 2.308 1.00 0.00 O ATOM 84 O5' DA A 5 2.100 8.704 1.162 1.00 0.00 O ATOM 85 C5' DA A 5 1.102 8.902 0.175 1.00 0.00 C ATOM 86 C4' DA A 5 -0.204 8.156 0.491 1.00 0.00 C ATOM 87 O4' DA A 5 -0.093 6.750 0.328 1.00 0.00 O ATOM 88 C3' DA A 5 -0.731 8.409 1.909 1.00 0.00 C ATOM 89 O3' DA A 5 -1.862 9.267 1.830 1.00 0.00 O ATOM 90 C2' DA A 5 -1.019 7.006 2.411 1.00 0.00 C ATOM 91 C1' DA A 5 -1.043 6.122 1.175 1.00 0.00 C ATOM 92 N9 DA A 5 -0.588 4.754 1.487 1.00 0.00 N ATOM 93 C8 DA A 5 0.626 4.400 1.998 1.00 0.00 C ATOM 94 N7 DA A 5 0.844 3.114 2.045 1.00 0.00 N ATOM 95 C5 DA A 5 -0.342 2.578 1.551 1.00 0.00 C ATOM 96 C6 DA A 5 -0.788 1.261 1.337 1.00 0.00 C ATOM 97 N6 DA A 5 -0.012 0.190 1.485 1.00 0.00 N ATOM 98 N1 DA A 5 -2.060 1.060 0.967 1.00 0.00 N ATOM 99 C2 DA A 5 -2.853 2.108 0.781 1.00 0.00 C ATOM 100 N3 DA A 5 -2.543 3.394 0.888 1.00 0.00 N ATOM 101 C4 DA A 5 -1.250 3.568 1.270 1.00 0.00 C ATOM 0 H5' DA A 5 1.481 8.568 -0.791 1.00 0.00 H new ATOM 0 H5'' DA A 5 0.893 9.968 0.084 1.00 0.00 H new ATOM 0 H4' DA A 5 -0.907 8.565 -0.235 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.055 8.921 2.593 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.253 6.677 3.113 1.00 0.00 H new ATOM 0 H2'' DA A 5 -1.972 6.967 2.938 1.00 0.00 H new ATOM 0 H1' DA A 5 -2.040 6.025 0.745 1.00 0.00 H new ATOM 0 H8 DA A 5 1.350 5.126 2.337 1.00 0.00 H new ATOM 0 H61 DA A 5 -0.391 -0.742 1.316 1.00 0.00 H new ATOM 0 H62 DA A 5 0.962 0.301 1.768 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.875 1.887 0.510 1.00 0.00 H new ATOM 102 P DT A 6 -2.763 9.671 3.104 1.00 0.00 P ATOM 103 OP1 DT A 6 -3.565 10.862 2.746 1.00 0.00 O ATOM 104 OP2 DT A 6 -1.905 9.704 4.309 1.00 0.00 O ATOM 105 O5' DT A 6 -3.759 8.416 3.234 1.00 0.00 O ATOM 106 C5' DT A 6 -4.553 7.996 2.140 1.00 0.00 C ATOM 107 C4' DT A 6 -5.332 6.724 2.490 1.00 0.00 C ATOM 108 O4' DT A 6 -4.488 5.595 2.568 1.00 0.00 O ATOM 109 C3' DT A 6 -6.100 6.835 3.811 1.00 0.00 C ATOM 110 O3' DT A 6 -7.481 6.649 3.550 1.00 0.00 O ATOM 111 C2' DT A 6 -5.471 5.712 4.632 1.00 0.00 C ATOM 112 C1' DT A 6 -5.005 4.732 3.560 1.00 0.00 C ATOM 113 N1 DT A 6 -3.901 3.842 3.991 1.00 0.00 N ATOM 114 C2 DT A 6 -4.016 2.466 3.811 1.00 0.00 C ATOM 115 O2 DT A 6 -5.057 1.907 3.485 1.00 0.00 O ATOM 116 N3 DT A 6 -2.875 1.723 4.035 1.00 0.00 N ATOM 117 C4 DT A 6 -1.673 2.210 4.503 1.00 0.00 C ATOM 118 O4 DT A 6 -0.738 1.440 4.695 1.00 0.00 O ATOM 119 C5 DT A 6 -1.630 3.649 4.677 1.00 0.00 C ATOM 120 C7 DT A 6 -0.371 4.302 5.216 1.00 0.00 C ATOM 121 C6 DT A 6 -2.722 4.402 4.399 1.00 0.00 C ATOM 0 H5' DT A 6 -3.918 7.812 1.273 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.248 8.789 1.864 1.00 0.00 H new ATOM 0 H4' DT A 6 -6.047 6.602 1.676 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.038 7.792 4.329 1.00 0.00 H new ATOM 0 H2' DT A 6 -4.641 6.071 5.240 1.00 0.00 H new ATOM 0 H2'' DT A 6 -6.190 5.256 5.312 1.00 0.00 H new ATOM 0 H1' DT A 6 -5.820 4.071 3.265 1.00 0.00 H new ATOM 0 H3 DT A 6 -2.925 0.724 3.837 1.00 0.00 H new ATOM 0 H71 DT A 6 -0.281 5.309 4.809 1.00 0.00 H new ATOM 0 H72 DT A 6 -0.425 4.353 6.303 1.00 0.00 H new ATOM 0 H73 DT A 6 0.498 3.713 4.923 1.00 0.00 H new ATOM 0 H6 DT A 6 -2.659 5.475 4.503 1.00 0.00 H new ATOM 122 P DA A 7 -8.609 6.898 4.673 1.00 0.00 P ATOM 123 OP1 DA A 7 -9.906 7.086 3.987 1.00 0.00 O ATOM 124 OP2 DA A 7 -8.120 7.936 5.608 1.00 0.00 O ATOM 125 O5' DA A 7 -8.633 5.488 5.443 1.00 0.00 O ATOM 126 C5' DA A 7 -9.355 4.387 4.925 1.00 0.00 C ATOM 127 C4' DA A 7 -9.101 3.113 5.742 1.00 0.00 C ATOM 128 O4' DA A 7 -7.817 2.557 5.489 1.00 0.00 O ATOM 129 C3' DA A 7 -9.225 3.312 7.257 1.00 0.00 C ATOM 130 O3' DA A 7 -10.454 2.753 7.707 1.00 0.00 O ATOM 131 C2' DA A 7 -7.990 2.597 7.769 1.00 0.00 C ATOM 132 C1' DA A 7 -7.470 1.764 6.608 1.00 0.00 C ATOM 133 N9 DA A 7 -6.011 1.559 6.697 1.00 0.00 N ATOM 134 C8 DA A 7 -5.088 2.515 6.990 1.00 0.00 C ATOM 135 N7 DA A 7 -3.859 2.088 7.082 1.00 0.00 N ATOM 136 C5 DA A 7 -3.983 0.730 6.793 1.00 0.00 C ATOM 137 C6 DA A 7 -3.049 -0.320 6.705 1.00 0.00 C ATOM 138 N6 DA A 7 -1.749 -0.128 6.916 1.00 0.00 N ATOM 139 N1 DA A 7 -3.467 -1.550 6.369 1.00 0.00 N ATOM 140 C2 DA A 7 -4.764 -1.730 6.135 1.00 0.00 C ATOM 141 N3 DA A 7 -5.750 -0.841 6.207 1.00 0.00 N ATOM 142 C4 DA A 7 -5.289 0.394 6.539 1.00 0.00 C ATOM 0 H5' DA A 7 -9.068 4.218 3.887 1.00 0.00 H new ATOM 0 H5'' DA A 7 -10.421 4.616 4.928 1.00 0.00 H new ATOM 0 H4' DA A 7 -9.886 2.433 5.410 1.00 0.00 H new ATOM 0 H3' DA A 7 -9.258 4.345 7.604 1.00 0.00 H new ATOM 0 H2' DA A 7 -7.237 3.311 8.104 1.00 0.00 H new ATOM 0 H2'' DA A 7 -8.232 1.965 8.624 1.00 0.00 H new ATOM 0 H1' DA A 7 -7.887 0.757 6.574 1.00 0.00 H new ATOM 0 H8 DA A 7 -5.354 3.552 7.136 1.00 0.00 H new ATOM 0 H61 DA A 7 -1.100 -0.911 6.844 1.00 0.00 H new ATOM 0 H62 DA A 7 -1.402 0.802 7.150 1.00 0.00 H new ATOM 0 H2 DA A 7 -5.054 -2.730 5.849 1.00 0.00 H new ATOM 143 P DC A 8 -10.877 2.670 9.263 1.00 0.00 P ATOM 144 OP1 DC A 8 -12.347 2.529 9.342 1.00 0.00 O ATOM 145 OP2 DC A 8 -10.201 3.760 10.002 1.00 0.00 O ATOM 146 O5' DC A 8 -10.229 1.273 9.728 1.00 0.00 O ATOM 147 C5' DC A 8 -10.698 0.049 9.201 1.00 0.00 C ATOM 148 C4' DC A 8 -9.709 -1.077 9.515 1.00 0.00 C ATOM 149 O4' DC A 8 -8.424 -0.779 9.004 1.00 0.00 O ATOM 150 C3' DC A 8 -9.490 -1.311 11.008 1.00 0.00 C ATOM 151 O3' DC A 8 -10.441 -2.207 11.545 1.00 0.00 O ATOM 152 C2' DC A 8 -8.084 -1.910 11.051 1.00 0.00 C ATOM 153 C1' DC A 8 -7.496 -1.621 9.663 1.00 0.00 C ATOM 154 N1 DC A 8 -6.168 -0.960 9.758 1.00 0.00 N ATOM 155 C2 DC A 8 -5.017 -1.721 9.586 1.00 0.00 C ATOM 156 O2 DC A 8 -5.077 -2.928 9.367 1.00 0.00 O ATOM 157 N3 DC A 8 -3.802 -1.113 9.682 1.00 0.00 N ATOM 158 C4 DC A 8 -3.713 0.193 9.950 1.00 0.00 C ATOM 159 N4 DC A 8 -2.507 0.747 9.970 1.00 0.00 N ATOM 160 C5 DC A 8 -4.878 0.993 10.167 1.00 0.00 C ATOM 161 C6 DC A 8 -6.074 0.370 10.060 1.00 0.00 C ATOM 0 H5' DC A 8 -10.830 0.136 8.123 1.00 0.00 H new ATOM 0 H5'' DC A 8 -11.675 -0.187 9.624 1.00 0.00 H new ATOM 0 H4' DC A 8 -10.160 -1.958 9.058 1.00 0.00 H new ATOM 0 H3' DC A 8 -9.597 -0.403 11.601 1.00 0.00 H new ATOM 0 H2' DC A 8 -7.483 -1.455 11.838 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.115 -2.981 11.253 1.00 0.00 H new ATOM 0 HO3' DC A 8 -10.268 -2.333 12.501 1.00 0.00 H new ATOM 0 H1' DC A 8 -7.338 -2.550 9.115 1.00 0.00 H new ATOM 0 H41 DC A 8 -2.406 1.742 10.171 1.00 0.00 H new ATOM 0 H42 DC A 8 -1.681 0.178 9.784 1.00 0.00 H new ATOM 0 H5 DC A 8 -4.807 2.044 10.405 1.00 0.00 H new ATOM 0 H6 DC A 8 -6.979 0.938 10.217 1.00 0.00 H new TER 162 DC A 8 ATOM 163 O5' DG B 9 5.353 -5.432 12.081 1.00 0.00 O ATOM 164 C5' DG B 9 5.324 -6.613 11.308 1.00 0.00 C ATOM 165 C4' DG B 9 3.959 -7.324 11.455 1.00 0.00 C ATOM 166 O4' DG B 9 2.903 -6.394 11.651 1.00 0.00 O ATOM 167 C3' DG B 9 3.544 -8.209 10.277 1.00 0.00 C ATOM 168 O3' DG B 9 2.732 -9.265 10.763 1.00 0.00 O ATOM 169 C2' DG B 9 2.737 -7.211 9.470 1.00 0.00 C ATOM 170 C1' DG B 9 1.991 -6.466 10.568 1.00 0.00 C ATOM 171 N9 DG B 9 1.687 -5.091 10.156 1.00 0.00 N ATOM 172 C8 DG B 9 2.601 -4.126 9.884 1.00 0.00 C ATOM 173 N7 DG B 9 2.095 -2.947 9.653 1.00 0.00 N ATOM 174 C5 DG B 9 0.721 -3.159 9.775 1.00 0.00 C ATOM 175 C6 DG B 9 -0.376 -2.257 9.639 1.00 0.00 C ATOM 176 O6 DG B 9 -0.346 -1.048 9.424 1.00 0.00 O ATOM 177 N1 DG B 9 -1.605 -2.886 9.774 1.00 0.00 N ATOM 178 C2 DG B 9 -1.767 -4.223 10.047 1.00 0.00 C ATOM 179 N2 DG B 9 -2.994 -4.728 10.058 1.00 0.00 N ATOM 180 N3 DG B 9 -0.748 -5.065 10.219 1.00 0.00 N ATOM 181 C4 DG B 9 0.464 -4.478 10.066 1.00 0.00 C ATOM 0 H5' DG B 9 6.125 -7.281 11.625 1.00 0.00 H new ATOM 0 H5'' DG B 9 5.505 -6.373 10.260 1.00 0.00 H new ATOM 0 H4' DG B 9 4.116 -7.965 12.323 1.00 0.00 H new ATOM 0 H3' DG B 9 4.349 -8.684 9.717 1.00 0.00 H new ATOM 0 H2' DG B 9 3.373 -6.548 8.883 1.00 0.00 H new ATOM 0 H2'' DG B 9 2.058 -7.701 8.772 1.00 0.00 H new ATOM 0 HO5' DG B 9 4.441 -5.194 12.349 1.00 0.00 H new ATOM 0 H1' DG B 9 1.055 -6.970 10.809 1.00 0.00 H new ATOM 0 H8 DG B 9 3.663 -4.319 9.861 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.445 -2.318 9.663 1.00 0.00 H new ATOM 0 H21 DG B 9 -3.136 -5.718 10.258 1.00 0.00 H new ATOM 0 H22 DG B 9 -3.795 -4.126 9.866 1.00 0.00 H new ATOM 182 P DT B 10 2.221 -10.461 9.809 1.00 0.00 P ATOM 183 OP1 DT B 10 1.708 -11.552 10.665 1.00 0.00 O ATOM 184 OP2 DT B 10 3.283 -10.748 8.821 1.00 0.00 O ATOM 185 O5' DT B 10 0.973 -9.813 9.021 1.00 0.00 O ATOM 186 C5' DT B 10 -0.318 -9.748 9.600 1.00 0.00 C ATOM 187 C4' DT B 10 -1.361 -9.131 8.652 1.00 0.00 C ATOM 188 O4' DT B 10 -1.215 -7.722 8.545 1.00 0.00 O ATOM 189 C3' DT B 10 -1.310 -9.667 7.211 1.00 0.00 C ATOM 190 O3' DT B 10 -2.335 -10.562 6.775 1.00 0.00 O ATOM 191 C2' DT B 10 -1.127 -8.423 6.346 1.00 0.00 C ATOM 192 C1' DT B 10 -1.673 -7.329 7.262 1.00 0.00 C ATOM 193 N1 DT B 10 -1.184 -5.965 6.945 1.00 0.00 N ATOM 194 C2 DT B 10 -2.090 -4.905 6.879 1.00 0.00 C ATOM 195 O2 DT B 10 -3.307 -5.037 6.960 1.00 0.00 O ATOM 196 N3 DT B 10 -1.549 -3.646 6.713 1.00 0.00 N ATOM 197 C4 DT B 10 -0.212 -3.369 6.515 1.00 0.00 C ATOM 198 O4 DT B 10 0.144 -2.215 6.297 1.00 0.00 O ATOM 199 C5 DT B 10 0.670 -4.517 6.605 1.00 0.00 C ATOM 200 C7 DT B 10 2.165 -4.335 6.425 1.00 0.00 C ATOM 201 C6 DT B 10 0.160 -5.752 6.820 1.00 0.00 C ATOM 0 H5' DT B 10 -0.272 -9.159 10.516 1.00 0.00 H new ATOM 0 H5'' DT B 10 -0.637 -10.752 9.881 1.00 0.00 H new ATOM 0 H4' DT B 10 -2.308 -9.413 9.113 1.00 0.00 H new ATOM 0 H3' DT B 10 -0.483 -10.372 7.126 1.00 0.00 H new ATOM 0 H2' DT B 10 -0.082 -8.255 6.085 1.00 0.00 H new ATOM 0 H2'' DT B 10 -1.682 -8.489 5.410 1.00 0.00 H new ATOM 0 H1' DT B 10 -2.756 -7.250 7.164 1.00 0.00 H new ATOM 0 H3 DT B 10 -2.191 -2.854 6.739 1.00 0.00 H new ATOM 0 H71 DT B 10 2.696 -5.085 7.011 1.00 0.00 H new ATOM 0 H72 DT B 10 2.421 -4.449 5.372 1.00 0.00 H new ATOM 0 H73 DT B 10 2.454 -3.340 6.763 1.00 0.00 H new ATOM 0 H6 DT B 10 0.834 -6.593 6.895 1.00 0.00 H new ATOM 202 P DA B 11 -3.942 -10.317 6.834 1.00 0.00 P ATOM 203 OP1 DA B 11 -4.335 -9.927 8.204 1.00 0.00 O ATOM 204 OP2 DA B 11 -4.574 -11.513 6.234 1.00 0.00 O ATOM 205 O5' DA B 11 -4.262 -9.068 5.870 1.00 0.00 O ATOM 206 C5' DA B 11 -4.271 -9.191 4.461 1.00 0.00 C ATOM 207 C4' DA B 11 -5.152 -8.092 3.859 1.00 0.00 C ATOM 208 O4' DA B 11 -4.723 -6.790 4.237 1.00 0.00 O ATOM 209 C3' DA B 11 -5.128 -8.165 2.334 1.00 0.00 C ATOM 210 O3' DA B 11 -6.456 -7.989 1.878 1.00 0.00 O ATOM 211 C2' DA B 11 -4.218 -6.994 2.000 1.00 0.00 C ATOM 212 C1' DA B 11 -4.591 -5.985 3.077 1.00 0.00 C ATOM 213 N9 DA B 11 -3.491 -5.029 3.292 1.00 0.00 N ATOM 214 C8 DA B 11 -2.203 -5.352 3.598 1.00 0.00 C ATOM 215 N7 DA B 11 -1.403 -4.332 3.746 1.00 0.00 N ATOM 216 C5 DA B 11 -2.250 -3.242 3.552 1.00 0.00 C ATOM 217 C6 DA B 11 -2.054 -1.850 3.606 1.00 0.00 C ATOM 218 N6 DA B 11 -0.885 -1.300 3.922 1.00 0.00 N ATOM 219 N1 DA B 11 -3.093 -1.031 3.386 1.00 0.00 N ATOM 220 C2 DA B 11 -4.280 -1.570 3.123 1.00 0.00 C ATOM 221 N3 DA B 11 -4.602 -2.856 3.045 1.00 0.00 N ATOM 222 C4 DA B 11 -3.529 -3.654 3.276 1.00 0.00 C ATOM 0 H5' DA B 11 -4.648 -10.173 4.173 1.00 0.00 H new ATOM 0 H5'' DA B 11 -3.256 -9.112 4.072 1.00 0.00 H new ATOM 0 H4' DA B 11 -6.158 -8.261 4.242 1.00 0.00 H new ATOM 0 H3' DA B 11 -4.778 -9.094 1.884 1.00 0.00 H new ATOM 0 H2' DA B 11 -3.165 -7.270 2.047 1.00 0.00 H new ATOM 0 H2'' DA B 11 -4.402 -6.607 0.998 1.00 0.00 H new ATOM 0 H1' DA B 11 -5.481 -5.409 2.823 1.00 0.00 H new ATOM 0 H8 DA B 11 -1.870 -6.373 3.709 1.00 0.00 H new ATOM 0 H61 DA B 11 -0.790 -0.285 3.949 1.00 0.00 H new ATOM 0 H62 DA B 11 -0.084 -1.893 4.138 1.00 0.00 H new ATOM 0 H2 DA B 11 -5.086 -0.872 2.951 1.00 0.00 H new ATOM 223 P DT B 12 -6.835 -7.937 0.318 1.00 0.00 P ATOM 224 OP1 DT B 12 -8.161 -8.570 0.148 1.00 0.00 O ATOM 225 OP2 DT B 12 -5.678 -8.432 -0.460 1.00 0.00 O ATOM 226 O5' DT B 12 -6.982 -6.359 0.064 1.00 0.00 O ATOM 227 C5' DT B 12 -8.035 -5.628 0.664 1.00 0.00 C ATOM 228 C4' DT B 12 -8.063 -4.183 0.155 1.00 0.00 C ATOM 229 O4' DT B 12 -6.892 -3.496 0.556 1.00 0.00 O ATOM 230 C3' DT B 12 -8.200 -4.074 -1.363 1.00 0.00 C ATOM 231 O3' DT B 12 -9.140 -3.058 -1.670 1.00 0.00 O ATOM 232 C2' DT B 12 -6.787 -3.717 -1.745 1.00 0.00 C ATOM 233 C1' DT B 12 -6.360 -2.839 -0.573 1.00 0.00 C ATOM 234 N1 DT B 12 -4.896 -2.733 -0.387 1.00 0.00 N ATOM 235 C2 DT B 12 -4.364 -1.502 -0.021 1.00 0.00 C ATOM 236 O2 DT B 12 -5.016 -0.464 0.037 1.00 0.00 O ATOM 237 N3 DT B 12 -3.025 -1.487 0.300 1.00 0.00 N ATOM 238 C4 DT B 12 -2.162 -2.551 0.222 1.00 0.00 C ATOM 239 O4 DT B 12 -0.967 -2.377 0.453 1.00 0.00 O ATOM 240 C5 DT B 12 -2.792 -3.816 -0.103 1.00 0.00 C ATOM 241 C7 DT B 12 -1.947 -5.074 -0.148 1.00 0.00 C ATOM 242 C6 DT B 12 -4.120 -3.863 -0.381 1.00 0.00 C ATOM 0 H5' DT B 12 -7.914 -5.633 1.747 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.987 -6.112 0.447 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.950 -3.730 0.598 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.565 -4.957 -1.887 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.155 -4.600 -1.846 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.742 -3.183 -2.694 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.709 -1.820 -0.739 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.638 -0.601 0.627 1.00 0.00 H new ATOM 0 H71 DT B 12 -0.929 -4.818 -0.443 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.933 -5.538 0.838 1.00 0.00 H new ATOM 0 H73 DT B 12 -2.370 -5.771 -0.871 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.577 -4.816 -0.603 1.00 0.00 H new ATOM 243 P DA B 13 -9.451 -2.590 -3.175 1.00 0.00 P ATOM 244 OP1 DA B 13 -10.805 -1.993 -3.196 1.00 0.00 O ATOM 245 OP2 DA B 13 -9.132 -3.703 -4.096 1.00 0.00 O ATOM 246 O5' DA B 13 -8.378 -1.410 -3.421 1.00 0.00 O ATOM 247 C5' DA B 13 -8.604 -0.109 -2.909 1.00 0.00 C ATOM 248 C4' DA B 13 -7.514 0.885 -3.330 1.00 0.00 C ATOM 249 O4' DA B 13 -6.278 0.666 -2.668 1.00 0.00 O ATOM 250 C3' DA B 13 -7.225 0.894 -4.837 1.00 0.00 C ATOM 251 O3' DA B 13 -7.822 2.051 -5.405 1.00 0.00 O ATOM 252 C2' DA B 13 -5.708 0.851 -4.886 1.00 0.00 C ATOM 253 C1' DA B 13 -5.236 1.184 -3.479 1.00 0.00 C ATOM 254 N9 DA B 13 -3.981 0.479 -3.158 1.00 0.00 N ATOM 255 C8 DA B 13 -3.789 -0.871 -3.146 1.00 0.00 C ATOM 256 N7 DA B 13 -2.630 -1.256 -2.686 1.00 0.00 N ATOM 257 C5 DA B 13 -1.994 -0.050 -2.403 1.00 0.00 C ATOM 258 C6 DA B 13 -0.723 0.271 -1.893 1.00 0.00 C ATOM 259 N6 DA B 13 0.138 -0.635 -1.432 1.00 0.00 N ATOM 260 N1 DA B 13 -0.346 1.555 -1.865 1.00 0.00 N ATOM 261 C2 DA B 13 -1.190 2.490 -2.283 1.00 0.00 C ATOM 262 N3 DA B 13 -2.430 2.329 -2.726 1.00 0.00 N ATOM 263 C4 DA B 13 -2.783 1.017 -2.751 1.00 0.00 C ATOM 0 H5' DA B 13 -8.650 -0.153 -1.821 1.00 0.00 H new ATOM 0 H5'' DA B 13 -9.573 0.251 -3.255 1.00 0.00 H new ATOM 0 H4' DA B 13 -7.935 1.847 -3.039 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.638 0.069 -5.418 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.355 -0.133 -5.194 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.320 1.569 -5.608 1.00 0.00 H new ATOM 0 H1' DA B 13 -5.042 2.248 -3.343 1.00 0.00 H new ATOM 0 H8 DA B 13 -4.538 -1.568 -3.491 1.00 0.00 H new ATOM 0 H61 DA B 13 1.046 -0.340 -1.074 1.00 0.00 H new ATOM 0 H62 DA B 13 -0.111 -1.624 -1.437 1.00 0.00 H new ATOM 0 H2 DA B 13 -0.823 3.505 -2.260 1.00 0.00 H new ATOM 264 P DT B 14 -7.631 2.493 -6.943 1.00 0.00 P ATOM 265 OP1 DT B 14 -8.686 3.476 -7.277 1.00 0.00 O ATOM 266 OP2 DT B 14 -7.465 1.284 -7.780 1.00 0.00 O ATOM 267 O5' DT B 14 -6.224 3.268 -6.900 1.00 0.00 O ATOM 268 C5' DT B 14 -6.010 4.340 -6.000 1.00 0.00 C ATOM 269 C4' DT B 14 -4.570 4.850 -6.094 1.00 0.00 C ATOM 270 O4' DT B 14 -3.649 3.946 -5.517 1.00 0.00 O ATOM 271 C3' DT B 14 -4.129 5.124 -7.536 1.00 0.00 C ATOM 272 O3' DT B 14 -3.775 6.491 -7.654 1.00 0.00 O ATOM 273 C2' DT B 14 -2.956 4.161 -7.684 1.00 0.00 C ATOM 274 C1' DT B 14 -2.446 4.018 -6.255 1.00 0.00 C ATOM 275 N1 DT B 14 -1.690 2.766 -6.010 1.00 0.00 N ATOM 276 C2 DT B 14 -0.427 2.822 -5.426 1.00 0.00 C ATOM 277 O2 DT B 14 0.188 3.865 -5.232 1.00 0.00 O ATOM 278 N3 DT B 14 0.135 1.613 -5.066 1.00 0.00 N ATOM 279 C4 DT B 14 -0.424 0.370 -5.262 1.00 0.00 C ATOM 280 O4 DT B 14 0.164 -0.631 -4.862 1.00 0.00 O ATOM 281 C5 DT B 14 -1.729 0.387 -5.897 1.00 0.00 C ATOM 282 C7 DT B 14 -2.425 -0.918 -6.232 1.00 0.00 C ATOM 283 C6 DT B 14 -2.311 1.566 -6.223 1.00 0.00 C ATOM 0 H5' DT B 14 -6.219 4.013 -4.981 1.00 0.00 H new ATOM 0 H5'' DT B 14 -6.703 5.151 -6.222 1.00 0.00 H new ATOM 0 H4' DT B 14 -4.568 5.787 -5.538 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.877 4.966 -8.313 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.270 3.203 -8.098 1.00 0.00 H new ATOM 0 H2'' DT B 14 -2.189 4.559 -8.348 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.762 4.828 -6.002 1.00 0.00 H new ATOM 0 H3 DT B 14 1.048 1.644 -4.613 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.505 -0.777 -6.186 1.00 0.00 H new ATOM 0 H72 DT B 14 -2.142 -1.234 -7.236 1.00 0.00 H new ATOM 0 H73 DT B 14 -2.129 -1.683 -5.514 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.296 1.558 -6.665 1.00 0.00 H new ATOM 284 P DA B 15 -3.357 7.149 -9.062 1.00 0.00 P ATOM 285 OP1 DA B 15 -3.539 8.614 -8.966 1.00 0.00 O ATOM 286 OP2 DA B 15 -4.026 6.399 -10.149 1.00 0.00 O ATOM 287 O5' DA B 15 -1.788 6.829 -9.120 1.00 0.00 O ATOM 288 C5' DA B 15 -0.852 7.588 -8.379 1.00 0.00 C ATOM 289 C4' DA B 15 0.556 7.010 -8.555 1.00 0.00 C ATOM 290 O4' DA B 15 0.717 5.779 -7.863 1.00 0.00 O ATOM 291 C3' DA B 15 0.918 6.766 -10.024 1.00 0.00 C ATOM 292 O3' DA B 15 1.820 7.775 -10.461 1.00 0.00 O ATOM 293 C2' DA B 15 1.506 5.370 -9.971 1.00 0.00 C ATOM 294 C1' DA B 15 1.754 5.060 -8.503 1.00 0.00 C ATOM 295 N9 DA B 15 1.643 3.613 -8.231 1.00 0.00 N ATOM 296 C8 DA B 15 0.634 2.803 -8.649 1.00 0.00 C ATOM 297 N7 DA B 15 0.754 1.546 -8.319 1.00 0.00 N ATOM 298 C5 DA B 15 1.947 1.535 -7.600 1.00 0.00 C ATOM 299 C6 DA B 15 2.662 0.511 -6.951 1.00 0.00 C ATOM 300 N6 DA B 15 2.235 -0.749 -6.935 1.00 0.00 N ATOM 301 N1 DA B 15 3.803 0.810 -6.315 1.00 0.00 N ATOM 302 C2 DA B 15 4.226 2.070 -6.331 1.00 0.00 C ATOM 303 N3 DA B 15 3.662 3.124 -6.914 1.00 0.00 N ATOM 304 C4 DA B 15 2.501 2.789 -7.534 1.00 0.00 C ATOM 0 H5' DA B 15 -1.125 7.585 -7.324 1.00 0.00 H new ATOM 0 H5'' DA B 15 -0.871 8.626 -8.710 1.00 0.00 H new ATOM 0 H4' DA B 15 1.221 7.767 -8.138 1.00 0.00 H new ATOM 0 H3' DA B 15 0.098 6.821 -10.740 1.00 0.00 H new ATOM 0 H2' DA B 15 0.822 4.644 -10.410 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.434 5.318 -10.540 1.00 0.00 H new ATOM 0 H1' DA B 15 2.753 5.336 -8.165 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.208 3.174 -9.215 1.00 0.00 H new ATOM 0 H61 DA B 15 2.779 -1.466 -6.455 1.00 0.00 H new ATOM 0 H62 DA B 15 1.364 -0.998 -7.403 1.00 0.00 H new ATOM 0 H2 DA B 15 5.147 2.263 -5.802 1.00 0.00 H new ATOM 305 P DC B 16 2.519 7.771 -11.917 1.00 0.00 P ATOM 306 OP1 DC B 16 2.927 9.154 -12.245 1.00 0.00 O ATOM 307 OP2 DC B 16 1.660 7.014 -12.855 1.00 0.00 O ATOM 308 O5' DC B 16 3.852 6.911 -11.653 1.00 0.00 O ATOM 309 C5' DC B 16 4.853 7.379 -10.771 1.00 0.00 C ATOM 310 C4' DC B 16 5.804 6.235 -10.407 1.00 0.00 C ATOM 311 O4' DC B 16 5.091 5.153 -9.841 1.00 0.00 O ATOM 312 C3' DC B 16 6.527 5.634 -11.610 1.00 0.00 C ATOM 313 O3' DC B 16 7.720 6.328 -11.904 1.00 0.00 O ATOM 314 C2' DC B 16 6.816 4.206 -11.149 1.00 0.00 C ATOM 315 C1' DC B 16 5.918 4.007 -9.920 1.00 0.00 C ATOM 316 N1 DC B 16 5.087 2.778 -10.038 1.00 0.00 N ATOM 317 C2 DC B 16 5.474 1.630 -9.357 1.00 0.00 C ATOM 318 O2 DC B 16 6.509 1.594 -8.698 1.00 0.00 O ATOM 319 N3 DC B 16 4.692 0.516 -9.438 1.00 0.00 N ATOM 320 C4 DC B 16 3.575 0.522 -10.170 1.00 0.00 C ATOM 321 N4 DC B 16 2.815 -0.565 -10.166 1.00 0.00 N ATOM 322 C5 DC B 16 3.169 1.675 -10.909 1.00 0.00 C ATOM 323 C6 DC B 16 3.960 2.769 -10.813 1.00 0.00 C ATOM 0 H5' DC B 16 4.395 7.783 -9.869 1.00 0.00 H new ATOM 0 H5'' DC B 16 5.410 8.192 -11.237 1.00 0.00 H new ATOM 0 H4' DC B 16 6.520 6.687 -9.720 1.00 0.00 H new ATOM 0 H3' DC B 16 5.942 5.685 -12.528 1.00 0.00 H new ATOM 0 H2' DC B 16 6.584 3.483 -11.931 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.868 4.076 -10.896 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.157 5.915 -12.678 1.00 0.00 H new ATOM 0 H1' DC B 16 6.525 3.883 -9.023 1.00 0.00 H new ATOM 0 H41 DC B 16 1.956 -0.589 -10.716 1.00 0.00 H new ATOM 0 H42 DC B 16 3.089 -1.377 -9.613 1.00 0.00 H new ATOM 0 H5 DC B 16 2.275 1.674 -11.515 1.00 0.00 H new ATOM 0 H6 DC B 16 3.694 3.659 -11.363 1.00 0.00 H new TER 324 DC B 16