USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 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= -0.0286 USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.166 -11.690 3.480 1.00 61.52 O ATOM 2 C5' DG A 1 -3.560 -12.979 3.538 1.00 32.34 C ATOM 3 C4' DG A 1 -2.494 -13.101 2.472 1.00 14.34 C ATOM 4 O4' DG A 1 -2.957 -12.864 1.169 1.00 51.35 O ATOM 5 C3' DG A 1 -1.471 -11.969 2.471 1.00 11.11 C ATOM 6 O3' DG A 1 -0.516 -12.193 3.506 1.00 22.44 O ATOM 7 C2' DG A 1 -0.832 -12.012 1.110 1.00 1.51 C ATOM 8 C1' DG A 1 -2.042 -12.333 0.237 1.00 74.45 C ATOM 9 N9 DG A 1 -2.604 -11.150 -0.447 1.00 73.54 N ATOM 10 C8 DG A 1 -3.868 -10.682 -0.373 1.00 40.54 C ATOM 11 N7 DG A 1 -4.057 -9.594 -1.111 1.00 62.43 N ATOM 12 C5 DG A 1 -2.834 -9.369 -1.684 1.00 60.14 C ATOM 13 C6 DG A 1 -2.387 -8.367 -2.570 1.00 72.12 C ATOM 14 O6 DG A 1 -3.076 -7.451 -3.016 1.00 53.05 O ATOM 15 N1 DG A 1 -1.086 -8.414 -2.967 1.00 44.04 N ATOM 16 C2 DG A 1 -0.304 -9.410 -2.492 1.00 4.54 C ATOM 17 N2 DG A 1 0.935 -9.323 -2.969 1.00 71.53 N ATOM 18 N3 DG A 1 -0.622 -10.412 -1.649 1.00 31.41 N ATOM 19 C4 DG A 1 -1.932 -10.306 -1.293 1.00 50.23 C ATOM 0 H5' DG A 1 -4.316 -13.751 3.397 1.00 32.34 H new ATOM 0 H5'' DG A 1 -3.121 -13.139 4.523 1.00 32.34 H new ATOM 0 H4' DG A 1 -2.126 -14.102 2.699 1.00 14.34 H new ATOM 0 H3' DG A 1 -1.917 -10.992 2.659 1.00 11.11 H new ATOM 0 H2' DG A 1 -0.368 -11.063 0.841 1.00 1.51 H new ATOM 0 H2'' DG A 1 -0.058 -12.776 1.041 1.00 1.51 H new ATOM 0 HO5' DG A 1 -4.856 -11.621 4.173 1.00 61.52 H new ATOM 0 H1' DG A 1 -1.791 -13.007 -0.582 1.00 74.45 H new ATOM 0 H8 DG A 1 -4.642 -11.143 0.222 1.00 40.54 H new ATOM 0 H1 DG A 1 -0.710 -7.715 -3.607 1.00 44.04 H new ATOM 0 H21 DG A 1 1.637 -10.011 -2.695 1.00 71.53 H new ATOM 0 H22 DG A 1 1.183 -8.568 -3.609 1.00 71.53 H new ATOM 32 P DG A 2 -0.452 -11.207 4.764 1.00 1.24 P ATOM 33 OP1 DG A 2 -1.129 -11.830 5.921 1.00 54.44 O ATOM 34 OP2 DG A 2 -0.897 -9.854 4.360 1.00 34.24 O ATOM 35 O5' DG A 2 1.114 -11.137 5.087 1.00 25.24 O ATOM 36 C5' DG A 2 2.065 -11.256 4.032 1.00 21.34 C ATOM 37 C4' DG A 2 2.181 -9.948 3.284 1.00 62.53 C ATOM 38 O4' DG A 2 1.058 -9.687 2.506 1.00 32.02 O ATOM 39 C3' DG A 2 2.015 -8.707 4.157 1.00 64.10 C ATOM 40 O3' DG A 2 3.233 -8.449 4.852 1.00 21.22 O ATOM 41 C2' DG A 2 1.677 -7.594 3.205 1.00 34.12 C ATOM 42 C1' DG A 2 1.245 -8.391 1.978 1.00 14.34 C ATOM 43 N9 DG A 2 0.004 -7.886 1.351 1.00 41.02 N ATOM 44 C8 DG A 2 -1.255 -8.316 1.568 1.00 40.31 C ATOM 45 N7 DG A 2 -2.154 -7.651 0.846 1.00 4.44 N ATOM 46 C5 DG A 2 -1.406 -6.752 0.135 1.00 63.24 C ATOM 47 C6 DG A 2 -1.772 -5.766 -0.804 1.00 2.21 C ATOM 48 O6 DG A 2 -2.921 -5.528 -1.175 1.00 64.41 O ATOM 49 N1 DG A 2 -0.776 -5.015 -1.347 1.00 4.11 N ATOM 50 C2 DG A 2 0.496 -5.255 -0.958 1.00 65.54 C ATOM 51 N2 DG A 2 1.352 -4.442 -1.573 1.00 5.24 N ATOM 52 N3 DG A 2 0.958 -6.162 -0.076 1.00 63.53 N ATOM 53 C4 DG A 2 -0.085 -6.878 0.429 1.00 22.10 C ATOM 0 H5' DG A 2 1.763 -12.049 3.348 1.00 21.34 H new ATOM 0 H5'' DG A 2 3.036 -11.538 4.438 1.00 21.34 H new ATOM 0 H4' DG A 2 3.144 -10.079 2.791 1.00 62.53 H new ATOM 0 H3' DG A 2 1.238 -8.821 4.913 1.00 64.10 H new ATOM 0 H2' DG A 2 0.880 -6.954 3.584 1.00 34.12 H new ATOM 0 H2'' DG A 2 2.533 -6.951 3.000 1.00 34.12 H new ATOM 0 H1' DG A 2 1.979 -8.333 1.174 1.00 14.34 H new ATOM 0 H8 DG A 2 -1.507 -9.113 2.252 1.00 40.31 H new ATOM 0 H1 DG A 2 -0.984 -4.288 -2.031 1.00 4.11 H new ATOM 0 H21 DG A 2 2.351 -4.510 -1.376 1.00 5.24 H new ATOM 0 H22 DG A 2 1.009 -3.751 -2.241 1.00 5.24 H new ATOM 65 P DC A 3 3.301 -7.278 5.941 1.00 1.55 P ATOM 66 OP1 DC A 3 3.556 -7.857 7.278 1.00 1.31 O ATOM 67 OP2 DC A 3 2.124 -6.393 5.793 1.00 62.52 O ATOM 68 O5' DC A 3 4.600 -6.453 5.502 1.00 1.31 O ATOM 69 C5' DC A 3 5.142 -6.620 4.194 1.00 22.23 C ATOM 70 C4' DC A 3 5.376 -5.272 3.553 1.00 23.04 C ATOM 71 O4' DC A 3 4.350 -4.929 2.684 1.00 52.33 O ATOM 72 C3' DC A 3 5.408 -4.104 4.534 1.00 75.31 C ATOM 73 O3' DC A 3 6.468 -3.218 4.183 1.00 71.43 O ATOM 74 C2' DC A 3 4.066 -3.437 4.400 1.00 14.45 C ATOM 75 C1' DC A 3 3.787 -3.657 2.915 1.00 51.22 C ATOM 76 N1 DC A 3 2.347 -3.641 2.578 1.00 32.43 N ATOM 77 C2 DC A 3 1.960 -2.952 1.428 1.00 60.33 C ATOM 78 O2 DC A 3 2.829 -2.392 0.752 1.00 21.31 O ATOM 79 N3 DC A 3 0.656 -2.921 1.100 1.00 0.23 N ATOM 80 C4 DC A 3 -0.259 -3.524 1.834 1.00 4.31 C ATOM 81 N4 DC A 3 -1.541 -3.482 1.492 1.00 62.23 N ATOM 82 C5 DC A 3 0.116 -4.244 3.028 1.00 22.44 C ATOM 83 C6 DC A 3 1.421 -4.265 3.343 1.00 13.23 C ATOM 0 H5' DC A 3 4.459 -7.209 3.582 1.00 22.23 H new ATOM 0 H5'' DC A 3 6.080 -7.173 4.248 1.00 22.23 H new ATOM 0 H4' DC A 3 6.342 -5.405 3.065 1.00 23.04 H new ATOM 0 H3' DC A 3 5.586 -4.419 5.562 1.00 75.31 H new ATOM 0 H2' DC A 3 3.310 -3.898 5.036 1.00 14.45 H new ATOM 0 H2'' DC A 3 4.102 -2.380 4.662 1.00 14.45 H new ATOM 0 H1' DC A 3 4.204 -2.862 2.297 1.00 51.22 H new ATOM 0 H41 DC A 3 -2.238 -3.953 2.069 1.00 62.23 H new ATOM 0 H42 DC A 3 -1.829 -2.979 0.653 1.00 62.23 H new ATOM 0 H5 DC A 3 -0.620 -4.743 3.640 1.00 22.44 H new ATOM 0 H6 DC A 3 1.740 -4.793 4.229 1.00 13.23 H new ATOM 95 P DC A 4 7.605 -2.869 5.254 1.00 72.03 P ATOM 96 OP1 DC A 4 8.739 -3.805 5.099 1.00 72.41 O ATOM 97 OP2 DC A 4 7.001 -2.745 6.600 1.00 62.51 O ATOM 98 O5' DC A 4 8.096 -1.415 4.796 1.00 1.04 O ATOM 99 C5' DC A 4 8.183 -1.097 3.409 1.00 62.25 C ATOM 100 C4' DC A 4 7.478 0.213 3.131 1.00 43.33 C ATOM 101 O4' DC A 4 6.073 -0.021 3.060 1.00 64.31 O ATOM 102 C3' DC A 4 7.643 1.262 4.229 1.00 21.34 C ATOM 103 O3' DC A 4 8.159 2.463 3.660 1.00 2.44 O ATOM 104 C2' DC A 4 6.264 1.465 4.794 1.00 31.45 C ATOM 105 C1' DC A 4 5.406 1.105 3.585 1.00 35.02 C ATOM 106 N1 DC A 4 4.005 0.783 3.932 1.00 1.25 N ATOM 107 C2 DC A 4 3.010 1.173 3.038 1.00 21.33 C ATOM 108 O2 DC A 4 3.341 1.767 2.007 1.00 12.24 O ATOM 109 N3 DC A 4 1.728 0.890 3.332 1.00 64.01 N ATOM 110 C4 DC A 4 1.394 0.256 4.438 1.00 22.11 C ATOM 111 N4 DC A 4 0.122 -0.014 4.710 1.00 3.35 N ATOM 112 C5 DC A 4 2.406 -0.160 5.380 1.00 41.20 C ATOM 113 C6 DC A 4 3.679 0.129 5.074 1.00 12.12 C ATOM 0 H5' DC A 4 7.734 -1.894 2.816 1.00 62.25 H new ATOM 0 H5'' DC A 4 9.228 -1.027 3.109 1.00 62.25 H new ATOM 0 H4' DC A 4 7.923 0.584 2.208 1.00 43.33 H new ATOM 0 H3' DC A 4 8.340 0.956 5.009 1.00 21.34 H new ATOM 0 H2' DC A 4 6.068 0.817 5.648 1.00 31.45 H new ATOM 0 H2'' DC A 4 6.100 2.490 5.127 1.00 31.45 H new ATOM 0 H1' DC A 4 5.312 1.937 2.887 1.00 35.02 H new ATOM 0 H41 DC A 4 -0.122 -0.505 5.570 1.00 3.35 H new ATOM 0 H42 DC A 4 -0.610 0.270 4.059 1.00 3.35 H new ATOM 0 H5 DC A 4 2.149 -0.681 6.291 1.00 41.20 H new ATOM 0 H6 DC A 4 4.464 -0.167 5.754 1.00 12.12 H new ATOM 125 P DG A 5 9.629 2.963 4.045 1.00 21.52 P ATOM 126 OP1 DG A 5 10.627 2.287 3.185 1.00 52.32 O ATOM 127 OP2 DG A 5 9.818 2.875 5.510 1.00 3.14 O ATOM 128 O5' DG A 5 9.600 4.511 3.642 1.00 52.21 O ATOM 129 C5' DG A 5 8.949 4.924 2.441 1.00 21.22 C ATOM 130 C4' DG A 5 7.627 5.580 2.766 1.00 1.25 C ATOM 131 O4' DG A 5 7.001 4.786 3.662 1.00 73.04 O ATOM 132 C3' DG A 5 7.739 6.838 3.622 1.00 5.52 C ATOM 133 O3' DG A 5 7.850 7.980 2.775 1.00 42.41 O ATOM 134 C2' DG A 5 6.479 6.876 4.439 1.00 53.41 C ATOM 135 C1' DG A 5 5.876 5.517 4.097 1.00 33.03 C ATOM 136 N9 DG A 5 5.220 4.857 5.244 1.00 62.51 N ATOM 137 C8 DG A 5 5.740 4.636 6.469 1.00 74.35 C ATOM 138 N7 DG A 5 4.891 4.016 7.282 1.00 63.13 N ATOM 139 C5 DG A 5 3.772 3.839 6.516 1.00 54.13 C ATOM 140 C6 DG A 5 2.524 3.245 6.805 1.00 23.41 C ATOM 141 O6 DG A 5 2.207 2.743 7.883 1.00 73.12 O ATOM 142 N1 DG A 5 1.594 3.223 5.811 1.00 62.13 N ATOM 143 C2 DG A 5 1.915 3.767 4.617 1.00 21.21 C ATOM 144 N2 DG A 5 0.907 3.669 3.753 1.00 41.14 N ATOM 145 N3 DG A 5 3.064 4.357 4.232 1.00 42.52 N ATOM 146 C4 DG A 5 3.949 4.345 5.267 1.00 51.45 C ATOM 0 H5' DG A 5 8.787 4.064 1.792 1.00 21.22 H new ATOM 0 H5'' DG A 5 9.585 5.621 1.895 1.00 21.22 H new ATOM 0 H4' DG A 5 7.162 5.769 1.798 1.00 1.25 H new ATOM 0 H3' DG A 5 8.618 6.836 4.266 1.00 5.52 H new ATOM 0 H2' DG A 5 6.681 6.982 5.505 1.00 53.41 H new ATOM 0 H2'' DG A 5 5.826 7.701 4.154 1.00 53.41 H new ATOM 0 H1' DG A 5 5.078 5.596 3.359 1.00 33.03 H new ATOM 0 H8 DG A 5 6.738 4.931 6.758 1.00 74.35 H new ATOM 0 H1 DG A 5 0.676 2.805 5.964 1.00 62.13 H new ATOM 0 H21 DG A 5 1.008 4.039 2.808 1.00 41.14 H new ATOM 0 H22 DG A 5 0.034 3.224 4.036 1.00 41.14 H new ATOM 158 P DC A 6 7.770 9.451 3.400 1.00 2.24 P ATOM 159 OP1 DC A 6 8.704 10.347 2.681 1.00 51.23 O ATOM 160 OP2 DC A 6 7.895 9.372 4.873 1.00 25.24 O ATOM 161 O5' DC A 6 6.278 9.908 3.053 1.00 72.30 O ATOM 162 C5' DC A 6 5.542 9.232 2.039 1.00 13.34 C ATOM 163 C4' DC A 6 4.105 9.702 2.037 1.00 14.23 C ATOM 164 O4' DC A 6 3.130 8.936 2.748 1.00 70.32 O ATOM 165 C3' DC A 6 3.893 11.084 2.647 1.00 12.13 C ATOM 166 O3' DC A 6 2.977 11.823 1.841 1.00 51.51 O ATOM 167 C2' DC A 6 3.338 10.831 4.022 1.00 43.23 C ATOM 168 C1' DC A 6 2.422 9.643 3.744 1.00 73.44 C ATOM 169 N1 DC A 6 2.178 8.795 4.930 1.00 72.43 N ATOM 170 C2 DC A 6 0.970 8.959 5.606 1.00 20.15 C ATOM 171 O2 DC A 6 0.167 9.797 5.184 1.00 51.44 O ATOM 172 N3 DC A 6 0.726 8.199 6.688 1.00 72.31 N ATOM 173 C4 DC A 6 1.595 7.309 7.123 1.00 0.14 C ATOM 174 N4 DC A 6 1.336 6.569 8.194 1.00 14.40 N ATOM 175 C5 DC A 6 2.855 7.121 6.441 1.00 14.32 C ATOM 176 C6 DC A 6 3.085 7.885 5.363 1.00 0.52 C ATOM 0 H5' DC A 6 5.580 8.156 2.208 1.00 13.34 H new ATOM 0 H5'' DC A 6 5.995 9.418 1.065 1.00 13.34 H new ATOM 0 H4' DC A 6 3.950 9.631 0.960 1.00 14.23 H new ATOM 0 H3' DC A 6 4.811 11.669 2.700 1.00 12.13 H new ATOM 0 H2' DC A 6 4.118 10.592 4.745 1.00 43.23 H new ATOM 0 H2'' DC A 6 2.794 11.691 4.413 1.00 43.23 H new ATOM 0 H1' DC A 6 1.422 9.959 3.446 1.00 73.44 H new ATOM 0 H41 DC A 6 2.019 5.884 8.518 1.00 14.40 H new ATOM 0 H42 DC A 6 0.454 6.685 8.693 1.00 14.40 H new ATOM 0 H5 DC A 6 3.579 6.397 6.784 1.00 14.32 H new ATOM 0 H6 DC A 6 4.016 7.773 4.827 1.00 0.52 H new ATOM 188 P DA A 7 3.442 12.389 0.419 1.00 23.23 P ATOM 189 OP1 DA A 7 4.668 11.689 -0.021 1.00 23.02 O ATOM 190 OP2 DA A 7 3.477 13.869 0.458 1.00 43.43 O ATOM 191 O5' DA A 7 2.247 11.950 -0.551 1.00 44.12 O ATOM 192 C5' DA A 7 2.349 10.744 -1.305 1.00 0.44 C ATOM 193 C4' DA A 7 0.971 10.180 -1.574 1.00 10.22 C ATOM 194 O4' DA A 7 1.000 8.776 -1.386 1.00 63.55 O ATOM 195 C3' DA A 7 -0.075 10.547 -0.526 1.00 63.53 C ATOM 196 O3' DA A 7 -1.376 10.468 -1.106 1.00 40.23 O ATOM 197 C2' DA A 7 0.100 9.540 0.578 1.00 74.32 C ATOM 198 C1' DA A 7 0.363 8.274 -0.232 1.00 34.41 C ATOM 199 N9 DA A 7 1.219 7.294 0.468 1.00 43.43 N ATOM 200 C8 DA A 7 1.127 6.898 1.754 1.00 41.54 C ATOM 201 N7 DA A 7 2.050 5.999 2.082 1.00 35.00 N ATOM 202 C5 DA A 7 2.762 5.823 0.925 1.00 43.35 C ATOM 203 C6 DA A 7 3.867 5.002 0.624 1.00 3.23 C ATOM 204 N6 DA A 7 4.470 4.167 1.510 1.00 13.31 N ATOM 205 N1 DA A 7 4.360 5.053 -0.645 1.00 52.44 N ATOM 206 C2 DA A 7 3.766 5.881 -1.533 1.00 25.44 C ATOM 207 N3 DA A 7 2.716 6.703 -1.357 1.00 2.54 N ATOM 208 C4 DA A 7 2.271 6.605 -0.074 1.00 42.31 C ATOM 0 H5' DA A 7 2.949 10.015 -0.760 1.00 0.44 H new ATOM 0 H5'' DA A 7 2.861 10.938 -2.247 1.00 0.44 H new ATOM 0 H4' DA A 7 0.726 10.556 -2.567 1.00 10.22 H new ATOM 0 H3' DA A 7 0.041 11.563 -0.147 1.00 63.53 H new ATOM 0 H2' DA A 7 0.931 9.789 1.237 1.00 74.32 H new ATOM 0 H2'' DA A 7 -0.788 9.454 1.204 1.00 74.32 H new ATOM 0 H1' DA A 7 -0.553 7.717 -0.431 1.00 34.41 H new ATOM 0 H8 DA A 7 0.384 7.271 2.443 1.00 41.54 H new ATOM 0 H61 DA A 7 5.267 3.602 1.217 1.00 13.31 H new ATOM 0 H62 DA A 7 4.125 4.105 2.468 1.00 13.31 H new ATOM 0 H2 DA A 7 4.195 5.883 -2.524 1.00 25.44 H new ATOM 220 P DG A 8 -2.637 11.068 -0.325 1.00 62.44 P ATOM 221 OP1 DG A 8 -3.166 12.241 -1.058 1.00 42.21 O ATOM 222 OP2 DG A 8 -2.298 11.251 1.104 1.00 31.43 O ATOM 223 O5' DG A 8 -3.718 9.893 -0.429 1.00 4.34 O ATOM 224 C5' DG A 8 -3.331 8.544 -0.166 1.00 72.40 C ATOM 225 C4' DG A 8 -3.403 7.727 -1.436 1.00 3.40 C ATOM 226 O4' DG A 8 -2.434 6.780 -1.260 1.00 51.31 O ATOM 227 C3' DG A 8 -4.629 6.823 -1.534 1.00 55.33 C ATOM 228 O3' DG A 8 -5.628 7.463 -2.325 1.00 71.51 O ATOM 229 C2' DG A 8 -4.139 5.557 -2.182 1.00 71.32 C ATOM 230 C1' DG A 8 -2.750 5.438 -1.558 1.00 41.15 C ATOM 231 N9 DG A 8 -2.721 4.599 -0.341 1.00 52.35 N ATOM 232 C8 DG A 8 -3.719 4.412 0.548 1.00 62.32 C ATOM 233 N7 DG A 8 -3.376 3.595 1.538 1.00 50.25 N ATOM 234 C5 DG A 8 -2.081 3.251 1.248 1.00 74.43 C ATOM 235 C6 DG A 8 -1.164 2.414 1.917 1.00 11.00 C ATOM 236 O6 DG A 8 -1.389 1.800 2.958 1.00 12.40 O ATOM 237 N1 DG A 8 0.072 2.273 1.364 1.00 52.15 N ATOM 238 C2 DG A 8 0.347 2.937 0.218 1.00 42.44 C ATOM 239 N2 DG A 8 1.588 2.696 -0.192 1.00 63.11 N ATOM 240 N3 DG A 8 -0.446 3.755 -0.498 1.00 23.03 N ATOM 241 C4 DG A 8 -1.661 3.854 0.105 1.00 53.40 C ATOM 0 H5' DG A 8 -3.984 8.111 0.592 1.00 72.40 H new ATOM 0 H5'' DG A 8 -2.318 8.519 0.235 1.00 72.40 H new ATOM 0 H4' DG A 8 -3.360 8.419 -2.277 1.00 3.40 H new ATOM 0 H3' DG A 8 -5.080 6.613 -0.564 1.00 55.33 H new ATOM 0 H2' DG A 8 -4.772 4.701 -1.949 1.00 71.32 H new ATOM 0 H2'' DG A 8 -4.099 5.637 -3.268 1.00 71.32 H new ATOM 0 H1' DG A 8 -2.041 4.946 -2.224 1.00 41.15 H new ATOM 0 H8 DG A 8 -4.691 4.876 0.464 1.00 62.32 H new ATOM 0 H1 DG A 8 0.775 1.680 1.804 1.00 52.15 H new ATOM 0 H21 DG A 8 1.936 3.131 -1.046 1.00 63.11 H new ATOM 0 H22 DG A 8 2.192 2.076 0.348 1.00 63.11 H new ATOM 253 P DT A 9 -7.075 6.799 -2.480 1.00 22.12 P ATOM 254 OP1 DT A 9 -7.955 7.695 -3.261 1.00 70.54 O ATOM 255 OP2 DT A 9 -7.559 6.347 -1.157 1.00 54.04 O ATOM 256 O5' DT A 9 -6.780 5.499 -3.367 1.00 71.15 O ATOM 257 C5' DT A 9 -7.185 4.213 -2.903 1.00 75.21 C ATOM 258 C4' DT A 9 -6.220 3.156 -3.392 1.00 55.50 C ATOM 259 O4' DT A 9 -5.671 2.460 -2.300 1.00 13.43 O ATOM 260 C3' DT A 9 -6.878 1.996 -4.131 1.00 63.42 C ATOM 261 O3' DT A 9 -5.937 1.416 -5.034 1.00 11.13 O ATOM 262 C2' DT A 9 -7.285 1.022 -3.060 1.00 74.42 C ATOM 263 C1' DT A 9 -6.096 1.128 -2.112 1.00 63.11 C ATOM 264 N1 DT A 9 -6.445 0.875 -0.697 1.00 45.33 N ATOM 265 C2 DT A 9 -5.599 0.065 -0.004 1.00 45.42 C ATOM 266 O2 DT A 9 -4.598 -0.442 -0.487 1.00 61.05 O ATOM 267 N3 DT A 9 -5.921 -0.174 1.313 1.00 60.24 N ATOM 268 C4 DT A 9 -7.025 0.356 1.932 1.00 61.41 C ATOM 269 O4 DT A 9 -7.215 0.075 3.113 1.00 41.11 O ATOM 270 C5 DT A 9 -7.874 1.196 1.162 1.00 54.35 C ATOM 271 C7 DT A 9 -9.103 1.806 1.791 1.00 41.14 C ATOM 272 C6 DT A 9 -7.543 1.412 -0.112 1.00 71.42 C ATOM 0 H5' DT A 9 -8.191 3.990 -3.258 1.00 75.21 H new ATOM 0 H5'' DT A 9 -7.223 4.206 -1.814 1.00 75.21 H new ATOM 0 H4' DT A 9 -5.529 3.722 -4.017 1.00 55.50 H new ATOM 0 H3' DT A 9 -7.739 2.304 -4.724 1.00 63.42 H new ATOM 0 H2' DT A 9 -8.223 1.303 -2.580 1.00 74.42 H new ATOM 0 H2'' DT A 9 -7.416 0.012 -3.448 1.00 74.42 H new ATOM 0 H1' DT A 9 -5.334 0.378 -2.327 1.00 63.11 H new ATOM 0 H3 DT A 9 -5.306 -0.778 1.858 1.00 60.24 H new ATOM 0 H71 DT A 9 -9.319 2.762 1.314 1.00 41.14 H new ATOM 0 H72 DT A 9 -9.951 1.134 1.658 1.00 41.14 H new ATOM 0 H73 DT A 9 -8.927 1.963 2.855 1.00 41.14 H new ATOM 0 H6 DT A 9 -8.182 2.047 -0.707 1.00 71.42 H new ATOM 285 P DG A 10 -5.635 2.121 -6.438 1.00 51.04 P ATOM 286 OP1 DG A 10 -6.283 3.450 -6.477 1.00 71.32 O ATOM 287 OP2 DG A 10 -5.935 1.183 -7.542 1.00 54.11 O ATOM 288 O5' DG A 10 -4.051 2.345 -6.394 1.00 10.13 O ATOM 289 C5' DG A 10 -3.510 3.491 -5.742 1.00 61.25 C ATOM 290 C4' DG A 10 -2.045 3.638 -6.077 1.00 34.34 C ATOM 291 O4' DG A 10 -1.171 3.190 -5.117 1.00 42.14 O ATOM 292 C3' DG A 10 -1.555 2.703 -7.181 1.00 64.40 C ATOM 293 O3' DG A 10 -0.344 3.216 -7.733 1.00 22.43 O ATOM 294 C2' DG A 10 -1.335 1.377 -6.508 1.00 65.23 C ATOM 295 C1' DG A 10 -0.797 1.831 -5.153 1.00 14.03 C ATOM 296 N9 DG A 10 -1.371 1.087 -4.012 1.00 32.30 N ATOM 297 C8 DG A 10 -2.676 0.892 -3.735 1.00 75.33 C ATOM 298 N7 DG A 10 -2.865 0.176 -2.632 1.00 43.42 N ATOM 299 C5 DG A 10 -1.596 -0.091 -2.191 1.00 20.42 C ATOM 300 C6 DG A 10 -1.126 -0.808 -1.072 1.00 62.21 C ATOM 301 O6 DG A 10 -1.834 -1.360 -0.230 1.00 63.32 O ATOM 302 N1 DG A 10 0.222 -0.898 -0.906 1.00 33.04 N ATOM 303 C2 DG A 10 1.025 -0.302 -1.815 1.00 14.33 C ATOM 304 N2 DG A 10 2.310 -0.478 -1.516 1.00 40.11 N ATOM 305 N3 DG A 10 0.689 0.403 -2.912 1.00 31.55 N ATOM 306 C4 DG A 10 -0.668 0.457 -3.020 1.00 12.23 C ATOM 0 H5' DG A 10 -3.636 3.398 -4.663 1.00 61.25 H new ATOM 0 H5'' DG A 10 -4.053 4.384 -6.051 1.00 61.25 H new ATOM 0 H4' DG A 10 -2.032 4.709 -6.282 1.00 34.34 H new ATOM 0 H3' DG A 10 -2.264 2.609 -8.004 1.00 64.40 H new ATOM 0 H2' DG A 10 -2.257 0.802 -6.415 1.00 65.23 H new ATOM 0 H2'' DG A 10 -0.623 0.753 -7.048 1.00 65.23 H new ATOM 0 H1' DG A 10 0.275 1.657 -5.057 1.00 14.03 H new ATOM 0 H8 DG A 10 -3.481 1.276 -4.344 1.00 75.33 H new ATOM 0 H1 DG A 10 0.617 -1.404 -0.113 1.00 33.04 H new ATOM 0 H21 DG A 10 3.032 -0.081 -2.117 1.00 40.11 H new ATOM 0 H22 DG A 10 2.572 -1.009 -0.686 1.00 40.11 H new ATOM 318 P DC A 11 0.152 2.721 -9.171 1.00 1.45 P ATOM 319 OP1 DC A 11 1.135 3.680 -9.720 1.00 54.24 O ATOM 320 OP2 DC A 11 -1.019 2.386 -10.014 1.00 23.20 O ATOM 321 O5' DC A 11 0.923 1.359 -8.836 1.00 12.43 O ATOM 322 C5' DC A 11 1.858 1.318 -7.759 1.00 2.43 C ATOM 323 C4' DC A 11 2.034 -0.106 -7.280 1.00 41.03 C ATOM 324 O4' DC A 11 1.091 -0.447 -6.255 1.00 54.15 O ATOM 325 C3' DC A 11 1.838 -1.166 -8.360 1.00 62.42 C ATOM 326 O3' DC A 11 3.059 -1.876 -8.554 1.00 64.02 O ATOM 327 C2' DC A 11 0.751 -2.064 -7.840 1.00 21.42 C ATOM 328 C1' DC A 11 0.889 -1.840 -6.338 1.00 4.24 C ATOM 329 N1 DC A 11 -0.302 -2.256 -5.569 1.00 70.32 N ATOM 330 C2 DC A 11 -0.108 -3.113 -4.486 1.00 21.12 C ATOM 331 O2 DC A 11 1.042 -3.483 -4.224 1.00 45.23 O ATOM 332 N3 DC A 11 -1.177 -3.505 -3.770 1.00 25.44 N ATOM 333 C4 DC A 11 -2.396 -3.101 -4.065 1.00 70.42 C ATOM 334 N4 DC A 11 -3.439 -3.499 -3.347 1.00 61.31 N ATOM 335 C5 DC A 11 -2.625 -2.213 -5.183 1.00 63.33 C ATOM 336 C6 DC A 11 -1.549 -1.831 -5.885 1.00 35.14 C ATOM 0 H5' DC A 11 1.508 1.945 -6.939 1.00 2.43 H new ATOM 0 H5'' DC A 11 2.817 1.722 -8.083 1.00 2.43 H new ATOM 0 H4' DC A 11 3.065 -0.116 -6.926 1.00 41.03 H new ATOM 0 H3' DC A 11 1.563 -0.744 -9.326 1.00 62.42 H new ATOM 0 H2' DC A 11 -0.233 -1.779 -8.212 1.00 21.42 H new ATOM 0 H2'' DC A 11 0.907 -3.106 -8.118 1.00 21.42 H new ATOM 0 H1' DC A 11 1.692 -2.437 -5.905 1.00 4.24 H new ATOM 0 H41 DC A 11 -4.377 -3.177 -3.588 1.00 61.31 H new ATOM 0 H42 DC A 11 -3.303 -4.126 -2.554 1.00 61.31 H new ATOM 0 H5 DC A 11 -3.617 -1.873 -5.441 1.00 63.33 H new ATOM 0 H6 DC A 11 -1.680 -1.166 -6.726 1.00 35.14 H new ATOM 348 P DC A 12 3.415 -2.479 -9.993 1.00 74.04 P ATOM 349 OP1 DC A 12 4.430 -1.628 -10.652 1.00 53.43 O ATOM 350 OP2 DC A 12 2.168 -2.758 -10.739 1.00 73.33 O ATOM 351 O5' DC A 12 4.100 -3.880 -9.637 1.00 25.32 O ATOM 352 C5' DC A 12 4.962 -3.984 -8.504 1.00 5.11 C ATOM 353 C4' DC A 12 5.015 -5.417 -8.021 1.00 34.53 C ATOM 354 O4' DC A 12 3.999 -5.633 -7.064 1.00 14.14 O ATOM 355 C3' DC A 12 4.693 -6.454 -9.093 1.00 22.34 C ATOM 356 O3' DC A 12 5.552 -7.593 -8.922 1.00 31.41 O ATOM 357 C2' DC A 12 3.249 -6.814 -8.879 1.00 64.25 C ATOM 358 C1' DC A 12 3.157 -6.725 -7.357 1.00 25.23 C ATOM 359 N1 DC A 12 1.785 -6.489 -6.861 1.00 32.21 N ATOM 360 C2 DC A 12 1.360 -7.223 -5.755 1.00 12.05 C ATOM 361 O2 DC A 12 2.145 -8.029 -5.243 1.00 54.32 O ATOM 362 N3 DC A 12 0.115 -7.026 -5.286 1.00 31.31 N ATOM 363 C4 DC A 12 -0.709 -6.161 -5.845 1.00 62.21 C ATOM 364 N4 DC A 12 -1.933 -5.982 -5.367 1.00 23.32 N ATOM 365 C5 DC A 12 -0.294 -5.387 -6.992 1.00 24.23 C ATOM 366 C6 DC A 12 0.951 -5.595 -7.448 1.00 21.11 C ATOM 0 H5' DC A 12 4.604 -3.335 -7.704 1.00 5.11 H new ATOM 0 H5'' DC A 12 5.963 -3.643 -8.767 1.00 5.11 H new ATOM 0 H4' DC A 12 6.035 -5.538 -7.657 1.00 34.53 H new ATOM 0 H3' DC A 12 4.852 -6.084 -10.106 1.00 22.34 H new ATOM 0 H2' DC A 12 2.572 -6.119 -9.376 1.00 64.25 H new ATOM 0 H2'' DC A 12 3.012 -7.811 -9.250 1.00 64.25 H new ATOM 0 HO3' DC A 12 5.348 -8.263 -9.608 1.00 31.41 H new ATOM 0 H1' DC A 12 3.446 -7.659 -6.874 1.00 25.23 H new ATOM 0 H41 DC A 12 -2.560 -5.310 -5.809 1.00 23.32 H new ATOM 0 H42 DC A 12 -2.247 -6.517 -4.557 1.00 23.32 H new ATOM 0 H5 DC A 12 -0.955 -4.674 -7.461 1.00 24.23 H new ATOM 0 H6 DC A 12 1.298 -5.036 -8.305 1.00 21.11 H new TER 379 DC A 12