USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 3 DT C7 :methyl -30:sc= -0.0339 (180deg=-2.81!) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.445) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.345 -10.322 6.048 1.00 0.00 O ATOM 2 C5' DG A 1 0.658 -9.469 5.126 1.00 0.00 C ATOM 3 C4' DG A 1 -0.804 -9.352 5.489 1.00 0.00 C ATOM 4 O4' DG A 1 -1.054 -8.014 5.985 1.00 0.00 O ATOM 5 C3' DG A 1 -1.777 -9.555 4.328 1.00 0.00 C ATOM 6 O3' DG A 1 -2.975 -10.187 4.794 1.00 0.00 O ATOM 7 C2' DG A 1 -2.051 -8.139 3.852 1.00 0.00 C ATOM 8 C1' DG A 1 -1.957 -7.326 5.131 1.00 0.00 C ATOM 9 N9 DG A 1 -1.447 -5.972 4.942 1.00 0.00 N ATOM 10 C8 DG A 1 -1.747 -4.858 5.687 1.00 0.00 C ATOM 11 N7 DG A 1 -1.135 -3.782 5.274 1.00 0.00 N ATOM 12 C5 DG A 1 -0.386 -4.211 4.187 1.00 0.00 C ATOM 13 C6 DG A 1 0.486 -3.493 3.325 1.00 0.00 C ATOM 14 O6 DG A 1 0.760 -2.285 3.328 1.00 0.00 O ATOM 15 N1 DG A 1 1.058 -4.323 2.373 1.00 0.00 N ATOM 16 C2 DG A 1 0.791 -5.662 2.230 1.00 0.00 C ATOM 17 N2 DG A 1 1.382 -6.280 1.208 1.00 0.00 N ATOM 18 N3 DG A 1 -0.016 -6.343 3.021 1.00 0.00 N ATOM 19 C4 DG A 1 -0.565 -5.561 3.972 1.00 0.00 C ATOM 0 H5' DG A 1 0.756 -9.865 4.115 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.118 -8.481 5.127 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.980 -10.143 6.218 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.387 -10.195 3.537 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.320 -7.813 3.112 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.034 -8.052 3.389 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.289 -10.385 5.794 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.964 -7.226 5.535 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.422 -4.871 6.530 1.00 0.00 H new ATOM 0 H1 DG A 1 1.730 -3.906 1.728 1.00 0.00 H new ATOM 0 H21 DG A 1 1.221 -7.275 1.052 1.00 0.00 H new ATOM 0 H22 DG A 1 1.995 -5.758 0.582 1.00 0.00 H new ATOM 32 P DG A 2 -4.256 -10.291 3.827 1.00 0.00 P ATOM 33 OP1 DG A 2 -5.040 -11.484 4.231 1.00 0.00 O ATOM 34 OP2 DG A 2 -3.779 -10.166 2.425 1.00 0.00 O ATOM 35 O5' DG A 2 -5.107 -8.992 4.186 1.00 0.00 O ATOM 36 C5' DG A 2 -5.369 -8.642 5.547 1.00 0.00 C ATOM 37 C4' DG A 2 -6.113 -7.328 5.617 1.00 0.00 C ATOM 38 O4' DG A 2 -5.247 -6.264 5.146 1.00 0.00 O ATOM 39 C3' DG A 2 -7.374 -7.256 4.749 1.00 0.00 C ATOM 40 O3' DG A 2 -8.428 -6.587 5.450 1.00 0.00 O ATOM 41 C2' DG A 2 -6.931 -6.433 3.553 1.00 0.00 C ATOM 42 C1' DG A 2 -5.955 -5.481 4.204 1.00 0.00 C ATOM 43 N9 DG A 2 -4.986 -4.863 3.304 1.00 0.00 N ATOM 44 C8 DG A 2 -4.230 -5.478 2.339 1.00 0.00 C ATOM 45 N7 DG A 2 -3.443 -4.654 1.699 1.00 0.00 N ATOM 46 C5 DG A 2 -3.705 -3.417 2.274 1.00 0.00 C ATOM 47 C6 DG A 2 -3.161 -2.132 1.994 1.00 0.00 C ATOM 48 O6 DG A 2 -2.302 -1.821 1.160 1.00 0.00 O ATOM 49 N1 DG A 2 -3.718 -1.153 2.812 1.00 0.00 N ATOM 50 C2 DG A 2 -4.665 -1.382 3.781 1.00 0.00 C ATOM 51 N2 DG A 2 -5.076 -0.322 4.480 1.00 0.00 N ATOM 52 N3 DG A 2 -5.175 -2.568 4.051 1.00 0.00 N ATOM 53 C4 DG A 2 -4.656 -3.532 3.265 1.00 0.00 C ATOM 0 H5' DG A 2 -4.431 -8.566 6.097 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.956 -9.426 6.025 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.410 -7.229 6.661 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.760 -8.238 4.476 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.460 -7.044 2.783 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.763 -5.911 3.080 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.522 -4.649 4.622 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.280 -6.536 2.129 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.399 -0.193 2.682 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.778 -0.434 5.212 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.688 0.601 4.282 1.00 0.00 H new ATOM 65 P DT A 3 -9.948 -6.752 4.951 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.696 -5.541 5.373 1.00 0.00 O ATOM 67 OP2 DT A 3 -10.426 -8.093 5.376 1.00 0.00 O ATOM 68 O5' DT A 3 -9.841 -6.732 3.361 1.00 0.00 O ATOM 69 C5' DT A 3 -10.169 -7.887 2.585 1.00 0.00 C ATOM 70 C4' DT A 3 -10.286 -7.522 1.123 1.00 0.00 C ATOM 71 O4' DT A 3 -11.461 -6.696 0.943 1.00 0.00 O ATOM 72 C3' DT A 3 -9.119 -6.714 0.555 1.00 0.00 C ATOM 73 O3' DT A 3 -8.909 -7.049 -0.822 1.00 0.00 O ATOM 74 C2' DT A 3 -9.592 -5.279 0.694 1.00 0.00 C ATOM 75 C1' DT A 3 -11.093 -5.402 0.488 1.00 0.00 C ATOM 76 N1 DT A 3 -11.899 -4.416 1.233 1.00 0.00 N ATOM 77 C2 DT A 3 -12.984 -3.857 0.597 1.00 0.00 C ATOM 78 O2 DT A 3 -13.304 -4.136 -0.546 1.00 0.00 O ATOM 79 N3 DT A 3 -13.685 -2.954 1.350 1.00 0.00 N ATOM 80 C4 DT A 3 -13.419 -2.563 2.644 1.00 0.00 C ATOM 81 O4 DT A 3 -14.141 -1.734 3.190 1.00 0.00 O ATOM 82 C5 DT A 3 -12.268 -3.189 3.254 1.00 0.00 C ATOM 83 C7 DT A 3 -11.920 -2.843 4.668 1.00 0.00 C ATOM 84 C6 DT A 3 -11.568 -4.075 2.529 1.00 0.00 C ATOM 0 H5' DT A 3 -11.108 -8.315 2.936 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.402 -8.651 2.716 1.00 0.00 H new ATOM 0 H4' DT A 3 -10.318 -8.477 0.598 1.00 0.00 H new ATOM 0 H3' DT A 3 -8.173 -6.901 1.063 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.350 -4.866 1.673 1.00 0.00 H new ATOM 0 H2'' DT A 3 -9.133 -4.627 -0.049 1.00 0.00 H new ATOM 0 H1' DT A 3 -11.293 -5.224 -0.569 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.494 -2.523 0.903 1.00 0.00 H new ATOM 0 H71 DT A 3 -12.233 -1.821 4.880 1.00 0.00 H new ATOM 0 H72 DT A 3 -12.430 -3.527 5.346 1.00 0.00 H new ATOM 0 H73 DT A 3 -10.843 -2.929 4.809 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.706 -4.543 2.980 1.00 0.00 H new ATOM 97 P DT A 4 -7.704 -6.363 -1.639 1.00 0.00 P ATOM 98 OP1 DT A 4 -6.899 -7.461 -2.233 1.00 0.00 O ATOM 99 OP2 DT A 4 -7.042 -5.363 -0.763 1.00 0.00 O ATOM 100 O5' DT A 4 -8.440 -5.578 -2.816 1.00 0.00 O ATOM 101 C5' DT A 4 -8.698 -6.206 -4.075 1.00 0.00 C ATOM 102 C4' DT A 4 -7.736 -5.695 -5.122 1.00 0.00 C ATOM 103 O4' DT A 4 -7.568 -4.257 -4.978 1.00 0.00 O ATOM 104 C3' DT A 4 -6.326 -6.286 -5.030 1.00 0.00 C ATOM 105 O3' DT A 4 -5.804 -6.536 -6.340 1.00 0.00 O ATOM 106 C2' DT A 4 -5.531 -5.194 -4.336 1.00 0.00 C ATOM 107 C1' DT A 4 -6.184 -3.949 -4.899 1.00 0.00 C ATOM 108 N1 DT A 4 -6.021 -2.715 -4.093 1.00 0.00 N ATOM 109 C2 DT A 4 -5.342 -1.674 -4.688 1.00 0.00 C ATOM 110 O2 DT A 4 -4.881 -1.739 -5.816 1.00 0.00 O ATOM 111 N3 DT A 4 -5.219 -0.553 -3.915 1.00 0.00 N ATOM 112 C4 DT A 4 -5.689 -0.366 -2.634 1.00 0.00 C ATOM 113 O4 DT A 4 -5.504 0.707 -2.068 1.00 0.00 O ATOM 114 C5 DT A 4 -6.389 -1.496 -2.063 1.00 0.00 C ATOM 115 C7 DT A 4 -6.928 -1.384 -0.671 1.00 0.00 C ATOM 116 C6 DT A 4 -6.523 -2.604 -2.808 1.00 0.00 C ATOM 0 H5' DT A 4 -9.724 -6.007 -4.385 1.00 0.00 H new ATOM 0 H5'' DT A 4 -8.599 -7.287 -3.977 1.00 0.00 H new ATOM 0 H4' DT A 4 -8.181 -5.990 -6.072 1.00 0.00 H new ATOM 0 H3' DT A 4 -6.293 -7.238 -4.500 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.618 -5.249 -3.251 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.468 -5.244 -4.574 1.00 0.00 H new ATOM 0 H1' DT A 4 -5.704 -3.720 -5.851 1.00 0.00 H new ATOM 0 H3 DT A 4 -4.723 0.234 -4.334 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.817 -2.007 -0.574 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.172 -1.718 0.040 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.187 -0.346 -0.464 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.047 -3.448 -2.385 1.00 0.00 H new ATOM 129 P DG A 5 -4.729 -7.713 -6.562 1.00 0.00 P ATOM 130 OP1 DG A 5 -5.043 -8.342 -7.870 1.00 0.00 O ATOM 131 OP2 DG A 5 -4.678 -8.555 -5.340 1.00 0.00 O ATOM 132 O5' DG A 5 -3.343 -6.942 -6.713 1.00 0.00 O ATOM 133 C5' DG A 5 -2.417 -6.860 -5.627 1.00 0.00 C ATOM 134 C4' DG A 5 -1.002 -6.985 -6.141 1.00 0.00 C ATOM 135 O4' DG A 5 -0.396 -5.670 -6.166 1.00 0.00 O ATOM 136 C3' DG A 5 -0.077 -7.847 -5.284 1.00 0.00 C ATOM 137 O3' DG A 5 0.900 -8.496 -6.105 1.00 0.00 O ATOM 138 C2' DG A 5 0.573 -6.837 -4.357 1.00 0.00 C ATOM 139 C1' DG A 5 0.664 -5.591 -5.224 1.00 0.00 C ATOM 140 N9 DG A 5 0.517 -4.337 -4.492 1.00 0.00 N ATOM 141 C8 DG A 5 0.975 -3.098 -4.867 1.00 0.00 C ATOM 142 N7 DG A 5 0.684 -2.159 -4.009 1.00 0.00 N ATOM 143 C5 DG A 5 -0.010 -2.819 -3.003 1.00 0.00 C ATOM 144 C6 DG A 5 -0.584 -2.326 -1.803 1.00 0.00 C ATOM 145 O6 DG A 5 -0.591 -1.166 -1.368 1.00 0.00 O ATOM 146 N1 DG A 5 -1.195 -3.340 -1.076 1.00 0.00 N ATOM 147 C2 DG A 5 -1.241 -4.660 -1.445 1.00 0.00 C ATOM 148 N2 DG A 5 -1.861 -5.488 -0.597 1.00 0.00 N ATOM 149 N3 DG A 5 -0.713 -5.133 -2.558 1.00 0.00 N ATOM 150 C4 DG A 5 -0.118 -4.165 -3.286 1.00 0.00 C ATOM 0 H5' DG A 5 -2.621 -7.650 -4.905 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.540 -5.911 -5.105 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.099 -7.457 -7.119 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.594 -8.643 -4.748 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.026 -6.664 -3.463 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.556 -7.169 -4.023 1.00 0.00 H new ATOM 0 H1' DG A 5 1.658 -5.574 -5.672 1.00 0.00 H new ATOM 0 H8 DG A 5 1.522 -2.919 -5.781 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.645 -3.082 -0.198 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.929 -6.482 -0.814 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.265 -5.125 0.266 1.00 0.00 H new ATOM 162 P DG A 6 2.123 -9.282 -5.418 1.00 0.00 P ATOM 163 OP1 DG A 6 2.731 -10.155 -6.453 1.00 0.00 O ATOM 164 OP2 DG A 6 1.635 -9.880 -4.148 1.00 0.00 O ATOM 165 O5' DG A 6 3.165 -8.131 -5.060 1.00 0.00 O ATOM 166 C5' DG A 6 3.848 -7.402 -6.085 1.00 0.00 C ATOM 167 C4' DG A 6 5.033 -6.673 -5.496 1.00 0.00 C ATOM 168 O4' DG A 6 4.540 -5.668 -4.581 1.00 0.00 O ATOM 169 C3' DG A 6 5.980 -7.567 -4.686 1.00 0.00 C ATOM 170 O3' DG A 6 7.351 -7.370 -5.091 1.00 0.00 O ATOM 171 C2' DG A 6 5.733 -7.162 -3.238 1.00 0.00 C ATOM 172 C1' DG A 6 5.287 -5.714 -3.386 1.00 0.00 C ATOM 173 N9 DG A 6 4.441 -5.188 -2.317 1.00 0.00 N ATOM 174 C8 DG A 6 3.577 -5.882 -1.503 1.00 0.00 C ATOM 175 N7 DG A 6 2.984 -5.126 -0.621 1.00 0.00 N ATOM 176 C5 DG A 6 3.471 -3.853 -0.876 1.00 0.00 C ATOM 177 C6 DG A 6 3.184 -2.612 -0.246 1.00 0.00 C ATOM 178 O6 DG A 6 2.408 -2.376 0.692 1.00 0.00 O ATOM 179 N1 DG A 6 3.898 -1.573 -0.822 1.00 0.00 N ATOM 180 C2 DG A 6 4.765 -1.698 -1.876 1.00 0.00 C ATOM 181 N2 DG A 6 5.335 -0.570 -2.305 1.00 0.00 N ATOM 182 N3 DG A 6 5.046 -2.842 -2.470 1.00 0.00 N ATOM 183 C4 DG A 6 4.368 -3.872 -1.923 1.00 0.00 C ATOM 0 H5' DG A 6 3.167 -6.690 -6.552 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.182 -8.084 -6.867 1.00 0.00 H new ATOM 0 H4' DG A 6 5.589 -6.267 -6.341 1.00 0.00 H new ATOM 0 H3' DG A 6 5.796 -8.630 -4.839 1.00 0.00 H new ATOM 0 H2' DG A 6 4.968 -7.779 -2.767 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.633 -7.252 -2.630 1.00 0.00 H new ATOM 0 H1' DG A 6 6.186 -5.098 -3.365 1.00 0.00 H new ATOM 0 H8 DG A 6 3.407 -6.945 -1.586 1.00 0.00 H new ATOM 0 H1 DG A 6 3.768 -0.640 -0.430 1.00 0.00 H new ATOM 0 H21 DG A 6 5.990 -0.595 -3.086 1.00 0.00 H new ATOM 0 H22 DG A 6 5.115 0.317 -1.851 1.00 0.00 H new ATOM 195 P DT A 7 8.025 -5.903 -5.049 1.00 0.00 P ATOM 196 OP1 DT A 7 9.161 -5.908 -6.005 1.00 0.00 O ATOM 197 OP2 DT A 7 8.272 -5.566 -3.624 1.00 0.00 O ATOM 198 O5' DT A 7 6.907 -4.917 -5.617 1.00 0.00 O ATOM 199 C5' DT A 7 7.252 -3.713 -6.316 1.00 0.00 C ATOM 200 C4' DT A 7 8.150 -2.846 -5.460 1.00 0.00 C ATOM 201 O4' DT A 7 8.972 -2.040 -6.334 1.00 0.00 O ATOM 202 C3' DT A 7 7.448 -1.866 -4.509 1.00 0.00 C ATOM 203 O3' DT A 7 7.935 -2.109 -3.167 1.00 0.00 O ATOM 204 C2' DT A 7 7.787 -0.495 -5.080 1.00 0.00 C ATOM 205 C1' DT A 7 9.118 -0.761 -5.764 1.00 0.00 C ATOM 206 N1 DT A 7 9.506 0.165 -6.851 1.00 0.00 N ATOM 207 C2 DT A 7 10.852 0.315 -7.101 1.00 0.00 C ATOM 208 O2 DT A 7 11.718 -0.226 -6.434 1.00 0.00 O ATOM 209 N3 DT A 7 11.150 1.126 -8.163 1.00 0.00 N ATOM 210 C4 DT A 7 10.260 1.787 -8.982 1.00 0.00 C ATOM 211 O4 DT A 7 10.677 2.454 -9.923 1.00 0.00 O ATOM 212 C5 DT A 7 8.864 1.602 -8.651 1.00 0.00 C ATOM 213 C7 DT A 7 7.818 2.150 -9.567 1.00 0.00 C ATOM 214 C6 DT A 7 8.559 0.833 -7.602 1.00 0.00 C ATOM 0 H5' DT A 7 6.347 -3.164 -6.577 1.00 0.00 H new ATOM 0 H5'' DT A 7 7.756 -3.959 -7.250 1.00 0.00 H new ATOM 0 H4' DT A 7 8.696 -3.553 -4.835 1.00 0.00 H new ATOM 0 H3' DT A 7 6.365 -1.966 -4.437 1.00 0.00 H new ATOM 0 H2' DT A 7 7.030 -0.146 -5.782 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.872 0.262 -4.301 1.00 0.00 H new ATOM 0 H1' DT A 7 9.899 -0.644 -5.013 1.00 0.00 H new ATOM 0 H3 DT A 7 12.140 1.255 -8.371 1.00 0.00 H new ATOM 0 H71 DT A 7 6.925 1.528 -9.513 1.00 0.00 H new ATOM 0 H72 DT A 7 7.570 3.168 -9.268 1.00 0.00 H new ATOM 0 H73 DT A 7 8.196 2.154 -10.590 1.00 0.00 H new ATOM 0 H6 DT A 7 7.520 0.729 -7.328 1.00 0.00 H new ATOM 227 P DG A 8 8.766 -0.988 -2.345 1.00 0.00 P ATOM 228 OP1 DG A 8 9.475 -0.029 -3.224 1.00 0.00 O ATOM 229 OP2 DG A 8 9.551 -1.761 -1.354 1.00 0.00 O ATOM 230 O5' DG A 8 7.645 -0.186 -1.546 1.00 0.00 O ATOM 231 C5' DG A 8 7.951 0.506 -0.333 1.00 0.00 C ATOM 232 C4' DG A 8 7.774 -0.410 0.857 1.00 0.00 C ATOM 233 O4' DG A 8 6.936 -1.531 0.488 1.00 0.00 O ATOM 234 C3' DG A 8 9.081 -1.015 1.389 1.00 0.00 C ATOM 235 O3' DG A 8 9.296 -0.638 2.752 1.00 0.00 O ATOM 236 C2' DG A 8 8.877 -2.518 1.297 1.00 0.00 C ATOM 237 C1' DG A 8 7.364 -2.642 1.240 1.00 0.00 C ATOM 238 N9 DG A 8 6.937 -3.861 0.567 1.00 0.00 N ATOM 239 C8 DG A 8 7.246 -4.237 -0.716 1.00 0.00 C ATOM 240 N7 DG A 8 6.793 -5.420 -1.028 1.00 0.00 N ATOM 241 C5 DG A 8 6.124 -5.842 0.114 1.00 0.00 C ATOM 242 C6 DG A 8 5.424 -7.050 0.379 1.00 0.00 C ATOM 243 O6 DG A 8 5.258 -8.024 -0.363 1.00 0.00 O ATOM 244 N1 DG A 8 4.889 -7.060 1.663 1.00 0.00 N ATOM 245 C2 DG A 8 5.012 -6.043 2.575 1.00 0.00 C ATOM 246 N2 DG A 8 4.418 -6.235 3.758 1.00 0.00 N ATOM 247 N3 DG A 8 5.665 -4.917 2.345 1.00 0.00 N ATOM 248 C4 DG A 8 6.191 -4.884 1.103 1.00 0.00 C ATOM 0 H5' DG A 8 7.302 1.376 -0.230 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.976 0.875 -0.366 1.00 0.00 H new ATOM 0 H4' DG A 8 7.339 0.219 1.634 1.00 0.00 H new ATOM 0 H3' DG A 8 9.947 -0.671 0.823 1.00 0.00 H new ATOM 0 H2' DG A 8 9.352 -2.938 0.411 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.294 -3.038 2.159 1.00 0.00 H new ATOM 0 H1' DG A 8 6.945 -2.677 2.246 1.00 0.00 H new ATOM 0 H8 DG A 8 7.807 -3.616 -1.399 1.00 0.00 H new ATOM 0 H1 DG A 8 4.365 -7.887 1.948 1.00 0.00 H new ATOM 0 H21 DG A 8 4.473 -5.516 4.479 1.00 0.00 H new ATOM 0 H22 DG A 8 3.910 -7.101 3.939 1.00 0.00 H new ATOM 260 P DT A 9 9.706 0.874 3.105 1.00 0.00 P ATOM 261 OP1 DT A 9 10.424 1.436 1.932 1.00 0.00 O ATOM 262 OP2 DT A 9 10.365 0.872 4.436 1.00 0.00 O ATOM 263 O5' DT A 9 8.307 1.623 3.241 1.00 0.00 O ATOM 264 C5' DT A 9 8.184 3.008 2.924 1.00 0.00 C ATOM 265 C4' DT A 9 7.517 3.748 4.057 1.00 0.00 C ATOM 266 O4' DT A 9 6.330 3.040 4.472 1.00 0.00 O ATOM 267 C3' DT A 9 8.354 3.930 5.330 1.00 0.00 C ATOM 268 O3' DT A 9 8.737 5.312 5.523 1.00 0.00 O ATOM 269 C2' DT A 9 7.439 3.458 6.457 1.00 0.00 C ATOM 270 C1' DT A 9 6.077 3.425 5.799 1.00 0.00 C ATOM 271 N1 DT A 9 5.068 2.501 6.359 1.00 0.00 N ATOM 272 C2 DT A 9 3.877 3.078 6.740 1.00 0.00 C ATOM 273 O2 DT A 9 3.675 4.280 6.688 1.00 0.00 O ATOM 274 N3 DT A 9 2.930 2.202 7.185 1.00 0.00 N ATOM 275 C4 DT A 9 3.036 0.836 7.274 1.00 0.00 C ATOM 276 O4 DT A 9 2.081 0.179 7.679 1.00 0.00 O ATOM 277 C5 DT A 9 4.307 0.282 6.866 1.00 0.00 C ATOM 278 C7 DT A 9 4.390 -1.200 6.674 1.00 0.00 C ATOM 279 C6 DT A 9 5.277 1.134 6.470 1.00 0.00 C ATOM 0 H5' DT A 9 7.603 3.128 2.010 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.169 3.433 2.733 1.00 0.00 H new ATOM 0 H4' DT A 9 7.328 4.736 3.637 1.00 0.00 H new ATOM 0 H3' DT A 9 9.288 3.370 5.285 1.00 0.00 H new ATOM 0 H2' DT A 9 7.731 2.476 6.829 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.460 4.140 7.307 1.00 0.00 H new ATOM 0 H1' DT A 9 5.631 4.409 5.946 1.00 0.00 H new ATOM 0 H3 DT A 9 2.044 2.608 7.485 1.00 0.00 H new ATOM 0 H71 DT A 9 5.134 -1.427 5.911 1.00 0.00 H new ATOM 0 H72 DT A 9 4.677 -1.673 7.613 1.00 0.00 H new ATOM 0 H73 DT A 9 3.419 -1.581 6.358 1.00 0.00 H new ATOM 0 H6 DT A 9 6.252 0.736 6.231 1.00 0.00 H new ATOM 292 P DG A 10 7.800 6.517 4.986 1.00 0.00 P ATOM 293 OP1 DG A 10 8.521 7.781 5.285 1.00 0.00 O ATOM 294 OP2 DG A 10 6.420 6.328 5.498 1.00 0.00 O ATOM 295 O5' DG A 10 7.783 6.340 3.398 1.00 0.00 O ATOM 296 C5' DG A 10 6.562 6.411 2.646 1.00 0.00 C ATOM 297 C4' DG A 10 6.850 6.771 1.209 1.00 0.00 C ATOM 298 O4' DG A 10 6.916 5.543 0.451 1.00 0.00 O ATOM 299 C3' DG A 10 5.758 7.593 0.531 1.00 0.00 C ATOM 300 O3' DG A 10 6.271 8.285 -0.616 1.00 0.00 O ATOM 301 C2' DG A 10 4.784 6.512 0.111 1.00 0.00 C ATOM 302 C1' DG A 10 5.750 5.429 -0.354 1.00 0.00 C ATOM 303 N9 DG A 10 5.244 4.069 -0.228 1.00 0.00 N ATOM 304 C8 DG A 10 5.542 3.022 -1.051 1.00 0.00 C ATOM 305 N7 DG A 10 4.913 1.921 -0.742 1.00 0.00 N ATOM 306 C5 DG A 10 4.167 2.264 0.376 1.00 0.00 C ATOM 307 C6 DG A 10 3.283 1.490 1.170 1.00 0.00 C ATOM 308 O6 DG A 10 2.947 0.310 1.046 1.00 0.00 O ATOM 309 N1 DG A 10 2.756 2.230 2.206 1.00 0.00 N ATOM 310 C2 DG A 10 3.021 3.551 2.458 1.00 0.00 C ATOM 311 N2 DG A 10 2.408 4.088 3.514 1.00 0.00 N ATOM 312 N3 DG A 10 3.831 4.291 1.727 1.00 0.00 N ATOM 313 C4 DG A 10 4.368 3.588 0.710 1.00 0.00 C ATOM 0 H5' DG A 10 5.898 7.154 3.088 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.043 5.453 2.691 1.00 0.00 H new ATOM 0 H4' DG A 10 7.768 7.358 1.227 1.00 0.00 H new ATOM 0 H3' DG A 10 5.326 8.366 1.166 1.00 0.00 H new ATOM 0 H2' DG A 10 4.154 6.179 0.936 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.117 6.842 -0.686 1.00 0.00 H new ATOM 0 H1' DG A 10 5.929 5.588 -1.417 1.00 0.00 H new ATOM 0 H8 DG A 10 6.232 3.097 -1.878 1.00 0.00 H new ATOM 0 H1 DG A 10 2.114 1.754 2.840 1.00 0.00 H new ATOM 0 H21 DG A 10 2.566 5.067 3.752 1.00 0.00 H new ATOM 0 H22 DG A 10 1.781 3.519 4.084 1.00 0.00 H new ATOM 325 P DG A 11 5.313 9.278 -1.448 1.00 0.00 P ATOM 326 OP1 DG A 11 6.010 10.587 -1.525 1.00 0.00 O ATOM 327 OP2 DG A 11 3.943 9.212 -0.879 1.00 0.00 O ATOM 328 O5' DG A 11 5.274 8.656 -2.916 1.00 0.00 O ATOM 329 C5' DG A 11 5.397 7.249 -3.123 1.00 0.00 C ATOM 330 C4' DG A 11 4.606 6.817 -4.336 1.00 0.00 C ATOM 331 O4' DG A 11 3.946 5.570 -4.010 1.00 0.00 O ATOM 332 C3' DG A 11 3.511 7.787 -4.787 1.00 0.00 C ATOM 333 O3' DG A 11 3.529 7.935 -6.210 1.00 0.00 O ATOM 334 C2' DG A 11 2.219 7.125 -4.341 1.00 0.00 C ATOM 335 C1' DG A 11 2.559 5.648 -4.282 1.00 0.00 C ATOM 336 N9 DG A 11 1.851 4.922 -3.229 1.00 0.00 N ATOM 337 C8 DG A 11 1.364 5.447 -2.057 1.00 0.00 C ATOM 338 N7 DG A 11 0.765 4.566 -1.305 1.00 0.00 N ATOM 339 C5 DG A 11 0.869 3.379 -2.018 1.00 0.00 C ATOM 340 C6 DG A 11 0.411 2.071 -1.699 1.00 0.00 C ATOM 341 O6 DG A 11 -0.180 1.681 -0.682 1.00 0.00 O ATOM 342 N1 DG A 11 0.713 1.165 -2.709 1.00 0.00 N ATOM 343 C2 DG A 11 1.390 1.470 -3.866 1.00 0.00 C ATOM 344 N2 DG A 11 1.607 0.454 -4.709 1.00 0.00 N ATOM 345 N3 DG A 11 1.827 2.681 -4.173 1.00 0.00 N ATOM 346 C4 DG A 11 1.532 3.582 -3.212 1.00 0.00 C ATOM 0 H5' DG A 11 5.042 6.714 -2.242 1.00 0.00 H new ATOM 0 H5'' DG A 11 6.447 6.986 -3.254 1.00 0.00 H new ATOM 0 H4' DG A 11 5.326 6.752 -5.151 1.00 0.00 H new ATOM 0 H3' DG A 11 3.638 8.785 -4.367 1.00 0.00 H new ATOM 0 H2' DG A 11 1.895 7.498 -3.369 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.409 7.319 -5.044 1.00 0.00 H new ATOM 0 H1' DG A 11 2.265 5.191 -5.227 1.00 0.00 H new ATOM 0 H8 DG A 11 1.467 6.487 -1.785 1.00 0.00 H new ATOM 0 H1 DG A 11 0.409 0.200 -2.582 1.00 0.00 H new ATOM 0 H21 DG A 11 2.104 0.615 -5.585 1.00 0.00 H new ATOM 0 H22 DG A 11 1.275 -0.482 -4.476 1.00 0.00 H new ATOM 358 P DT A 12 3.409 9.400 -6.860 1.00 0.00 P ATOM 359 OP1 DT A 12 2.877 9.253 -8.239 1.00 0.00 O ATOM 360 OP2 DT A 12 4.709 10.086 -6.646 1.00 0.00 O ATOM 361 O5' DT A 12 2.308 10.133 -5.970 1.00 0.00 O ATOM 362 C5' DT A 12 0.952 10.229 -6.408 1.00 0.00 C ATOM 363 C4' DT A 12 0.053 10.596 -5.250 1.00 0.00 C ATOM 364 O4' DT A 12 -1.276 10.854 -5.759 1.00 0.00 O ATOM 365 C3' DT A 12 -0.122 9.507 -4.196 1.00 0.00 C ATOM 366 O3' DT A 12 -0.383 10.083 -2.913 1.00 0.00 O ATOM 367 C2' DT A 12 -1.331 8.737 -4.696 1.00 0.00 C ATOM 368 C1' DT A 12 -2.169 9.817 -5.372 1.00 0.00 C ATOM 369 N1 DT A 12 -2.897 9.381 -6.581 1.00 0.00 N ATOM 370 C2 DT A 12 -4.107 9.980 -6.853 1.00 0.00 C ATOM 371 O2 DT A 12 -4.600 10.839 -6.142 1.00 0.00 O ATOM 372 N3 DT A 12 -4.723 9.535 -7.992 1.00 0.00 N ATOM 373 C4 DT A 12 -4.266 8.574 -8.865 1.00 0.00 C ATOM 374 O4 DT A 12 -4.937 8.275 -9.849 1.00 0.00 O ATOM 375 C5 DT A 12 -2.991 7.984 -8.521 1.00 0.00 C ATOM 376 C7 DT A 12 -2.416 6.933 -9.417 1.00 0.00 C ATOM 377 C6 DT A 12 -2.373 8.408 -7.409 1.00 0.00 C ATOM 0 H5' DT A 12 0.633 9.280 -6.838 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.869 10.979 -7.194 1.00 0.00 H new ATOM 0 H4' DT A 12 0.536 11.453 -4.780 1.00 0.00 H new ATOM 0 H3' DT A 12 0.763 8.883 -4.070 1.00 0.00 H new ATOM 0 H2' DT A 12 -1.048 7.950 -5.394 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.871 8.259 -3.879 1.00 0.00 H new ATOM 0 H1' DT A 12 -2.929 10.122 -4.653 1.00 0.00 H new ATOM 0 H3 DT A 12 -5.620 9.963 -8.219 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.328 6.971 -9.371 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.759 5.951 -9.092 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.742 7.111 -10.442 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.422 7.968 -7.149 1.00 0.00 H new ATOM 390 P DT A 13 -0.327 9.158 -1.598 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.469 9.553 -0.735 1.00 0.00 O ATOM 392 OP2 DT A 13 1.053 9.201 -1.055 1.00 0.00 O ATOM 393 O5' DT A 13 -0.597 7.688 -2.152 1.00 0.00 O ATOM 394 C5' DT A 13 -1.373 6.750 -1.408 1.00 0.00 C ATOM 395 C4' DT A 13 -2.810 6.775 -1.872 1.00 0.00 C ATOM 396 O4' DT A 13 -2.923 6.054 -3.119 1.00 0.00 O ATOM 397 C3' DT A 13 -3.801 6.111 -0.911 1.00 0.00 C ATOM 398 O3' DT A 13 -4.666 7.098 -0.342 1.00 0.00 O ATOM 399 C2' DT A 13 -4.594 5.142 -1.779 1.00 0.00 C ATOM 400 C1' DT A 13 -4.231 5.538 -3.198 1.00 0.00 C ATOM 401 N1 DT A 13 -4.232 4.425 -4.166 1.00 0.00 N ATOM 402 C2 DT A 13 -5.246 4.379 -5.097 1.00 0.00 C ATOM 403 O2 DT A 13 -6.132 5.214 -5.159 1.00 0.00 O ATOM 404 N3 DT A 13 -5.186 3.315 -5.955 1.00 0.00 N ATOM 405 C4 DT A 13 -4.238 2.315 -5.977 1.00 0.00 C ATOM 406 O4 DT A 13 -4.331 1.407 -6.796 1.00 0.00 O ATOM 407 C5 DT A 13 -3.201 2.423 -4.976 1.00 0.00 C ATOM 408 C7 DT A 13 -2.148 1.361 -4.906 1.00 0.00 C ATOM 409 C6 DT A 13 -3.244 3.462 -4.129 1.00 0.00 C ATOM 0 H5' DT A 13 -1.322 6.987 -0.345 1.00 0.00 H new ATOM 0 H5'' DT A 13 -0.961 5.748 -1.531 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.062 7.832 -1.952 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.305 5.606 -0.082 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.323 4.107 -1.572 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.666 5.232 -1.601 1.00 0.00 H new ATOM 0 H1' DT A 13 -4.979 6.243 -3.562 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.925 3.255 -6.656 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.566 0.412 -5.241 1.00 0.00 H new ATOM 0 H72 DT A 13 -1.311 1.636 -5.548 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.799 1.262 -3.878 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.469 3.549 -3.382 1.00 0.00 H new ATOM 422 P DG A 14 -5.020 7.040 1.225 1.00 0.00 P ATOM 423 OP1 DG A 14 -5.458 5.649 1.512 1.00 0.00 O ATOM 424 OP2 DG A 14 -5.926 8.174 1.536 1.00 0.00 O ATOM 425 O5' DG A 14 -3.620 7.285 1.950 1.00 0.00 O ATOM 426 C5' DG A 14 -3.498 8.190 3.055 1.00 0.00 C ATOM 427 C4' DG A 14 -4.367 7.741 4.209 1.00 0.00 C ATOM 428 O4' DG A 14 -4.818 6.384 3.970 1.00 0.00 O ATOM 429 C3' DG A 14 -3.677 7.699 5.573 1.00 0.00 C ATOM 430 O3' DG A 14 -4.652 8.011 6.591 1.00 0.00 O ATOM 431 C2' DG A 14 -3.161 6.272 5.622 1.00 0.00 C ATOM 432 C1' DG A 14 -4.301 5.521 4.970 1.00 0.00 C ATOM 433 N9 DG A 14 -3.927 4.264 4.330 1.00 0.00 N ATOM 434 C8 DG A 14 -4.423 3.020 4.624 1.00 0.00 C ATOM 435 N7 DG A 14 -3.944 2.079 3.859 1.00 0.00 N ATOM 436 C5 DG A 14 -3.057 2.739 3.020 1.00 0.00 C ATOM 437 C6 DG A 14 -2.232 2.239 1.977 1.00 0.00 C ATOM 438 O6 DG A 14 -2.101 1.067 1.585 1.00 0.00 O ATOM 439 N1 DG A 14 -1.503 3.259 1.374 1.00 0.00 N ATOM 440 C2 DG A 14 -1.524 4.576 1.754 1.00 0.00 C ATOM 441 N2 DG A 14 -0.696 5.392 1.092 1.00 0.00 N ATOM 442 N3 DG A 14 -2.289 5.055 2.719 1.00 0.00 N ATOM 443 C4 DG A 14 -3.027 4.088 3.304 1.00 0.00 C ATOM 0 H5' DG A 14 -3.787 9.194 2.744 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.458 8.243 3.375 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.163 8.484 4.249 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.870 8.414 5.732 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.225 6.154 5.075 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.978 5.936 6.643 1.00 0.00 H new ATOM 0 H1' DG A 14 -5.010 5.253 5.753 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.139 2.838 5.411 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.905 3.007 0.587 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.663 6.384 1.326 1.00 0.00 H new ATOM 0 H22 DG A 14 -0.098 5.022 0.353 1.00 0.00 H new ATOM 455 P DG A 15 -4.629 7.260 8.020 1.00 0.00 P ATOM 456 OP1 DG A 15 -4.678 5.791 7.812 1.00 0.00 O ATOM 457 OP2 DG A 15 -5.692 7.910 8.827 1.00 0.00 O ATOM 458 O5' DG A 15 -3.238 7.682 8.684 1.00 0.00 O ATOM 459 C5' DG A 15 -2.067 6.856 8.607 1.00 0.00 C ATOM 460 C4' DG A 15 -2.372 5.451 9.079 1.00 0.00 C ATOM 461 O4' DG A 15 -2.202 4.545 7.961 1.00 0.00 O ATOM 462 C3' DG A 15 -1.460 4.930 10.194 1.00 0.00 C ATOM 463 O3' DG A 15 -2.216 4.238 11.194 1.00 0.00 O ATOM 464 C2' DG A 15 -0.531 3.960 9.483 1.00 0.00 C ATOM 465 C1' DG A 15 -1.396 3.452 8.350 1.00 0.00 C ATOM 466 N9 DG A 15 -0.661 2.995 7.174 1.00 0.00 N ATOM 467 C8 DG A 15 0.154 3.743 6.361 1.00 0.00 C ATOM 468 N7 DG A 15 0.678 3.055 5.384 1.00 0.00 N ATOM 469 C5 DG A 15 0.178 1.773 5.562 1.00 0.00 C ATOM 470 C6 DG A 15 0.391 0.586 4.809 1.00 0.00 C ATOM 471 O6 DG A 15 1.079 0.423 3.792 1.00 0.00 O ATOM 472 N1 DG A 15 -0.305 -0.489 5.347 1.00 0.00 N ATOM 473 C2 DG A 15 -1.112 -0.432 6.458 1.00 0.00 C ATOM 474 N2 DG A 15 -1.710 -1.571 6.821 1.00 0.00 N ATOM 475 N3 DG A 15 -1.322 0.663 7.164 1.00 0.00 N ATOM 476 C4 DG A 15 -0.650 1.720 6.664 1.00 0.00 C ATOM 0 H5' DG A 15 -1.272 7.285 9.217 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.702 6.829 7.580 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.387 5.492 9.474 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.933 5.735 10.706 1.00 0.00 H new ATOM 0 H2' DG A 15 0.369 4.454 9.117 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.207 3.153 10.140 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.612 3.913 11.894 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.946 2.583 8.712 1.00 0.00 H new ATOM 0 H8 DG A 15 0.342 4.795 6.515 1.00 0.00 H new ATOM 0 H1 DG A 15 -0.210 -1.391 4.881 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.321 -1.589 7.638 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.556 -2.423 6.281 1.00 0.00 H new TER 489 DG A 15