USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 235 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 DC O5' : rot 180:sc=-0.00982 USER MOD Single : A 12 DT C7 :methyl 150:sc= -4! (180deg=-4!) USER MOD Single : A 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.816 9.244 -0.229 1.00 0.72 O ATOM 2 C5' DC A 1 11.528 9.340 -0.817 1.00 0.87 C ATOM 3 C4' DC A 1 10.683 8.156 -0.413 1.00 0.69 C ATOM 4 O4' DC A 1 9.453 8.165 -1.176 1.00 0.84 O ATOM 5 C3' DC A 1 11.336 6.783 -0.674 1.00 0.51 C ATOM 6 O3' DC A 1 11.323 5.991 0.522 1.00 0.69 O ATOM 7 C2' DC A 1 10.458 6.149 -1.750 1.00 0.51 C ATOM 8 C1' DC A 1 9.125 6.844 -1.536 1.00 0.64 C ATOM 9 N1 DC A 1 8.227 6.885 -2.712 1.00 0.66 N ATOM 10 C2 DC A 1 6.842 6.710 -2.508 1.00 0.73 C ATOM 11 O2 DC A 1 6.423 6.532 -1.352 1.00 0.86 O ATOM 12 N3 DC A 1 5.999 6.745 -3.578 1.00 0.75 N ATOM 13 C4 DC A 1 6.489 6.944 -4.813 1.00 0.83 C ATOM 14 N4 DC A 1 5.631 6.975 -5.833 1.00 0.96 N ATOM 15 C5 DC A 1 7.890 7.125 -5.050 1.00 0.89 C ATOM 16 C6 DC A 1 8.715 7.090 -3.984 1.00 0.76 C ATOM 0 H5' DC A 1 11.617 9.379 -1.903 1.00 0.87 H new ATOM 0 H5'' DC A 1 11.045 10.265 -0.503 1.00 0.87 H new ATOM 0 H4' DC A 1 10.534 8.267 0.661 1.00 0.69 H new ATOM 0 H3' DC A 1 12.378 6.863 -0.982 1.00 0.51 H new ATOM 0 H2' DC A 1 10.852 6.325 -2.751 1.00 0.51 H new ATOM 0 H2'' DC A 1 10.378 5.069 -1.624 1.00 0.51 H new ATOM 0 HO5' DC A 1 13.357 10.016 -0.498 1.00 0.72 H new ATOM 0 H1' DC A 1 8.568 6.283 -0.785 1.00 0.64 H new ATOM 0 H41 DC A 1 5.973 7.124 -6.782 1.00 0.96 H new ATOM 0 H42 DC A 1 4.633 6.849 -5.664 1.00 0.96 H new ATOM 0 H5 DC A 1 8.272 7.284 -6.048 1.00 0.89 H new ATOM 0 H6 DC A 1 9.777 7.225 -4.130 1.00 0.76 H new ATOM 29 P DG A 2 12.532 4.977 0.811 1.00 1.01 P ATOM 30 OP1 DG A 2 13.715 5.754 1.260 1.00 1.61 O ATOM 31 OP2 DG A 2 12.700 4.088 -0.367 1.00 1.35 O ATOM 32 O5' DG A 2 11.980 4.113 2.036 1.00 0.74 O ATOM 33 C5' DG A 2 11.985 4.620 3.370 1.00 0.81 C ATOM 34 C4' DG A 2 10.761 4.164 4.139 1.00 0.74 C ATOM 35 O4' DG A 2 9.563 4.481 3.373 1.00 0.62 O ATOM 36 C3' DG A 2 10.680 2.653 4.412 1.00 0.74 C ATOM 37 O3' DG A 2 10.041 2.424 5.675 1.00 0.87 O ATOM 38 C2' DG A 2 9.817 2.162 3.262 1.00 0.63 C ATOM 39 C1' DG A 2 8.826 3.296 3.118 1.00 0.55 C ATOM 40 N9 DG A 2 8.210 3.405 1.790 1.00 0.42 N ATOM 41 C8 DG A 2 8.848 3.491 0.577 1.00 0.39 C ATOM 42 N7 DG A 2 8.022 3.571 -0.434 1.00 0.36 N ATOM 43 C5 DG A 2 6.763 3.535 0.150 1.00 0.36 C ATOM 44 C6 DG A 2 5.466 3.584 -0.444 1.00 0.35 C ATOM 45 O6 DG A 2 5.182 3.668 -1.645 1.00 0.35 O ATOM 46 N1 DG A 2 4.449 3.517 0.523 1.00 0.36 N ATOM 47 C2 DG A 2 4.670 3.417 1.886 1.00 0.40 C ATOM 48 N2 DG A 2 3.591 3.366 2.680 1.00 0.42 N ATOM 49 N3 DG A 2 5.877 3.370 2.440 1.00 0.43 N ATOM 50 C4 DG A 2 6.868 3.434 1.524 1.00 0.40 C ATOM 0 H5' DG A 2 12.017 5.709 3.347 1.00 0.81 H new ATOM 0 H5'' DG A 2 12.886 4.285 3.885 1.00 0.81 H new ATOM 0 H4' DG A 2 10.836 4.683 5.095 1.00 0.74 H new ATOM 0 H3' DG A 2 11.646 2.151 4.466 1.00 0.74 H new ATOM 0 H2' DG A 2 10.397 2.007 2.352 1.00 0.63 H new ATOM 0 H2'' DG A 2 9.327 1.216 3.493 1.00 0.63 H new ATOM 0 H1' DG A 2 8.000 3.121 3.807 1.00 0.55 H new ATOM 0 H8 DG A 2 9.923 3.492 0.469 1.00 0.39 H new ATOM 0 H1 DG A 2 3.482 3.544 0.199 1.00 0.36 H new ATOM 0 H21 DG A 2 3.705 3.292 3.691 1.00 0.42 H new ATOM 0 H22 DG A 2 2.656 3.401 2.273 1.00 0.42 H new ATOM 62 P DG A 3 9.816 0.928 6.212 1.00 0.91 P ATOM 63 OP1 DG A 3 10.177 0.874 7.651 1.00 1.11 O ATOM 64 OP2 DG A 3 10.500 -0.024 5.300 1.00 1.02 O ATOM 65 O5' DG A 3 8.235 0.746 6.068 1.00 0.79 O ATOM 66 C5' DG A 3 7.332 1.495 6.879 1.00 0.77 C ATOM 67 C4' DG A 3 5.927 0.931 6.808 1.00 0.62 C ATOM 68 O4' DG A 3 5.359 1.208 5.498 1.00 0.55 O ATOM 69 C3' DG A 3 5.821 -0.594 6.999 1.00 0.62 C ATOM 70 O3' DG A 3 4.707 -0.902 7.845 1.00 0.63 O ATOM 71 C2' DG A 3 5.586 -1.109 5.585 1.00 0.52 C ATOM 72 C1' DG A 3 4.797 0.024 4.965 1.00 0.46 C ATOM 73 N9 DG A 3 4.872 0.089 3.498 1.00 0.38 N ATOM 74 C8 DG A 3 6.007 0.161 2.727 1.00 0.39 C ATOM 75 N7 DG A 3 5.756 0.199 1.447 1.00 0.34 N ATOM 76 C5 DG A 3 4.376 0.150 1.363 1.00 0.30 C ATOM 77 C6 DG A 3 3.524 0.159 0.219 1.00 0.25 C ATOM 78 O6 DG A 3 3.851 0.214 -0.970 1.00 0.24 O ATOM 79 N1 DG A 3 2.173 0.095 0.575 1.00 0.24 N ATOM 80 C2 DG A 3 1.709 0.030 1.879 1.00 0.27 C ATOM 81 N2 DG A 3 0.382 -0.028 2.036 1.00 0.27 N ATOM 82 N3 DG A 3 2.499 0.021 2.952 1.00 0.31 N ATOM 83 C4 DG A 3 3.812 0.083 2.622 1.00 0.33 C ATOM 0 H5' DG A 3 7.325 2.535 6.553 1.00 0.77 H new ATOM 0 H5'' DG A 3 7.677 1.487 7.913 1.00 0.77 H new ATOM 0 H4' DG A 3 5.400 1.413 7.631 1.00 0.62 H new ATOM 0 H3' DG A 3 6.699 -1.038 7.468 1.00 0.62 H new ATOM 0 H2' DG A 3 6.522 -1.292 5.057 1.00 0.52 H new ATOM 0 H2'' DG A 3 5.028 -2.046 5.579 1.00 0.52 H new ATOM 0 H1' DG A 3 3.741 -0.120 5.195 1.00 0.46 H new ATOM 0 H8 DG A 3 7.005 0.184 3.138 1.00 0.39 H new ATOM 0 H1 DG A 3 1.483 0.096 -0.176 1.00 0.24 H new ATOM 0 H21 DG A 3 -0.019 -0.077 2.973 1.00 0.27 H new ATOM 0 H22 DG A 3 -0.229 -0.023 1.219 1.00 0.27 H new ATOM 95 P DG A 4 4.469 -2.408 8.343 1.00 0.68 P ATOM 96 OP1 DG A 4 4.244 -2.402 9.810 1.00 0.81 O ATOM 97 OP2 DG A 4 5.558 -3.271 7.819 1.00 0.72 O ATOM 98 O5' DG A 4 3.102 -2.793 7.613 1.00 0.61 O ATOM 99 C5' DG A 4 1.871 -2.182 7.990 1.00 0.56 C ATOM 100 C4' DG A 4 0.700 -2.790 7.248 1.00 0.50 C ATOM 101 O4' DG A 4 0.799 -2.466 5.833 1.00 0.57 O ATOM 102 C3' DG A 4 0.604 -4.325 7.318 1.00 0.50 C ATOM 103 O3' DG A 4 -0.763 -4.741 7.433 1.00 0.48 O ATOM 104 C2' DG A 4 1.172 -4.766 5.979 1.00 0.52 C ATOM 105 C1' DG A 4 0.710 -3.651 5.062 1.00 0.50 C ATOM 106 N9 DG A 4 1.520 -3.481 3.849 1.00 0.48 N ATOM 107 C8 DG A 4 2.887 -3.349 3.779 1.00 0.54 C ATOM 108 N7 DG A 4 3.327 -3.214 2.558 1.00 0.50 N ATOM 109 C5 DG A 4 2.188 -3.258 1.773 1.00 0.41 C ATOM 110 C6 DG A 4 2.043 -3.163 0.358 1.00 0.35 C ATOM 111 O6 DG A 4 2.931 -3.022 -0.489 1.00 0.35 O ATOM 112 N1 DG A 4 0.705 -3.254 -0.037 1.00 0.31 N ATOM 113 C2 DG A 4 -0.362 -3.420 0.830 1.00 0.34 C ATOM 114 N2 DG A 4 -1.582 -3.486 0.271 1.00 0.36 N ATOM 115 N3 DG A 4 -0.235 -3.511 2.154 1.00 0.37 N ATOM 116 C4 DG A 4 1.060 -3.423 2.555 1.00 0.41 C ATOM 0 H5' DG A 4 1.917 -1.112 7.786 1.00 0.56 H new ATOM 0 H5'' DG A 4 1.721 -2.295 9.064 1.00 0.56 H new ATOM 0 H4' DG A 4 -0.177 -2.370 7.740 1.00 0.50 H new ATOM 0 H3' DG A 4 1.128 -4.747 8.175 1.00 0.50 H new ATOM 0 H2' DG A 4 2.258 -4.851 6.004 1.00 0.52 H new ATOM 0 H2'' DG A 4 0.784 -5.736 5.670 1.00 0.52 H new ATOM 0 H1' DG A 4 -0.294 -3.888 4.709 1.00 0.50 H new ATOM 0 H8 DG A 4 3.531 -3.356 4.646 1.00 0.54 H new ATOM 0 H1 DG A 4 0.500 -3.194 -1.034 1.00 0.31 H new ATOM 0 H21 DG A 4 -2.407 -3.608 0.859 1.00 0.36 H new ATOM 0 H22 DG A 4 -1.684 -3.414 -0.741 1.00 0.36 H new ATOM 128 P DC A 5 -1.479 -4.757 8.868 1.00 0.50 P ATOM 129 OP1 DC A 5 -0.444 -4.862 9.929 1.00 0.77 O ATOM 130 OP2 DC A 5 -2.551 -5.784 8.852 1.00 0.70 O ATOM 131 O5' DC A 5 -2.147 -3.308 8.939 1.00 0.42 O ATOM 132 C5' DC A 5 -3.279 -2.958 8.143 1.00 0.45 C ATOM 133 C4' DC A 5 -2.870 -2.026 7.024 1.00 0.42 C ATOM 134 O4' DC A 5 -2.743 -2.784 5.788 1.00 0.43 O ATOM 135 C3' DC A 5 -3.879 -0.908 6.711 1.00 0.40 C ATOM 136 O3' DC A 5 -3.197 0.267 6.254 1.00 0.41 O ATOM 137 C2' DC A 5 -4.685 -1.514 5.578 1.00 0.37 C ATOM 138 C1' DC A 5 -3.604 -2.234 4.804 1.00 0.37 C ATOM 139 N1 DC A 5 -4.084 -3.319 3.934 1.00 0.35 N ATOM 140 C2 DC A 5 -3.969 -3.161 2.541 1.00 0.35 C ATOM 141 O2 DC A 5 -3.472 -2.112 2.096 1.00 0.37 O ATOM 142 N3 DC A 5 -4.408 -4.150 1.721 1.00 0.36 N ATOM 143 C4 DC A 5 -4.948 -5.265 2.239 1.00 0.38 C ATOM 144 N4 DC A 5 -5.370 -6.207 1.395 1.00 0.42 N ATOM 145 C5 DC A 5 -5.080 -5.453 3.655 1.00 0.39 C ATOM 146 C6 DC A 5 -4.638 -4.463 4.458 1.00 0.37 C ATOM 0 H5' DC A 5 -4.035 -2.479 8.765 1.00 0.45 H new ATOM 0 H5'' DC A 5 -3.732 -3.858 7.728 1.00 0.45 H new ATOM 0 H4' DC A 5 -1.941 -1.572 7.370 1.00 0.42 H new ATOM 0 H3' DC A 5 -4.477 -0.603 7.570 1.00 0.40 H new ATOM 0 H2' DC A 5 -5.456 -2.195 5.939 1.00 0.37 H new ATOM 0 H2'' DC A 5 -5.186 -0.755 4.977 1.00 0.37 H new ATOM 0 H1' DC A 5 -3.128 -1.522 4.130 1.00 0.37 H new ATOM 0 H41 DC A 5 -5.785 -7.066 1.756 1.00 0.42 H new ATOM 0 H42 DC A 5 -5.278 -6.068 0.389 1.00 0.42 H new ATOM 0 H5 DC A 5 -5.517 -6.353 4.063 1.00 0.39 H new ATOM 0 H6 DC A 5 -4.721 -4.571 5.529 1.00 0.37 H new ATOM 158 P DG A 6 -2.498 1.253 7.306 1.00 0.39 P ATOM 159 OP1 DG A 6 -1.168 0.703 7.677 1.00 0.60 O ATOM 160 OP2 DG A 6 -3.453 1.539 8.407 1.00 0.50 O ATOM 161 O5' DG A 6 -2.280 2.575 6.434 1.00 0.32 O ATOM 162 C5' DG A 6 -3.211 3.658 6.452 1.00 0.33 C ATOM 163 C4' DG A 6 -3.798 3.903 5.076 1.00 0.32 C ATOM 164 O4' DG A 6 -2.744 4.310 4.160 1.00 0.34 O ATOM 165 C3' DG A 6 -4.470 2.680 4.419 1.00 0.30 C ATOM 166 O3' DG A 6 -5.711 3.077 3.825 1.00 0.36 O ATOM 167 C2' DG A 6 -3.465 2.258 3.351 1.00 0.28 C ATOM 168 C1' DG A 6 -2.878 3.592 2.951 1.00 0.32 C ATOM 169 N9 DG A 6 -1.564 3.531 2.287 1.00 0.34 N ATOM 170 C8 DG A 6 -0.320 3.549 2.879 1.00 0.35 C ATOM 171 N7 DG A 6 0.659 3.513 2.016 1.00 0.37 N ATOM 172 C5 DG A 6 0.033 3.464 0.784 1.00 0.36 C ATOM 173 C6 DG A 6 0.590 3.415 -0.528 1.00 0.38 C ATOM 174 O6 DG A 6 1.782 3.405 -0.845 1.00 0.40 O ATOM 175 N1 DG A 6 -0.401 3.377 -1.513 1.00 0.40 N ATOM 176 C2 DG A 6 -1.761 3.382 -1.257 1.00 0.41 C ATOM 177 N2 DG A 6 -2.571 3.336 -2.322 1.00 0.45 N ATOM 178 N3 DG A 6 -2.289 3.431 -0.035 1.00 0.39 N ATOM 179 C4 DG A 6 -1.341 3.471 0.933 1.00 0.36 C ATOM 0 H5' DG A 6 -2.714 4.562 6.804 1.00 0.33 H new ATOM 0 H5'' DG A 6 -4.012 3.440 7.158 1.00 0.33 H new ATOM 0 H4' DG A 6 -4.560 4.664 5.243 1.00 0.32 H new ATOM 0 H3' DG A 6 -4.701 1.875 5.117 1.00 0.30 H new ATOM 0 H2' DG A 6 -2.709 1.578 3.744 1.00 0.28 H new ATOM 0 H2'' DG A 6 -3.944 1.752 2.513 1.00 0.28 H new ATOM 0 H1' DG A 6 -3.537 4.050 2.213 1.00 0.32 H new ATOM 0 H8 DG A 6 -0.170 3.589 3.948 1.00 0.35 H new ATOM 0 H1 DG A 6 -0.101 3.343 -2.487 1.00 0.40 H new ATOM 0 H21 DG A 6 -3.583 3.337 -2.194 1.00 0.45 H new ATOM 0 H22 DG A 6 -2.176 3.300 -3.262 1.00 0.45 H new ATOM 191 P DG A 7 -6.748 1.969 3.314 1.00 0.34 P ATOM 192 OP1 DG A 7 -8.078 2.604 3.129 1.00 0.40 O ATOM 193 OP2 DG A 7 -6.676 0.789 4.208 1.00 0.37 O ATOM 194 O5' DG A 7 -6.155 1.581 1.883 1.00 0.35 O ATOM 195 C5' DG A 7 -6.436 2.366 0.729 1.00 0.33 C ATOM 196 C4' DG A 7 -6.519 1.506 -0.511 1.00 0.33 C ATOM 197 O4' DG A 7 -5.231 1.492 -1.180 1.00 0.38 O ATOM 198 C3' DG A 7 -6.888 0.035 -0.267 1.00 0.29 C ATOM 199 O3' DG A 7 -7.834 -0.400 -1.249 1.00 0.34 O ATOM 200 C2' DG A 7 -5.560 -0.695 -0.422 1.00 0.27 C ATOM 201 C1' DG A 7 -4.832 0.158 -1.444 1.00 0.32 C ATOM 202 N9 DG A 7 -3.368 0.086 -1.353 1.00 0.30 N ATOM 203 C8 DG A 7 -2.624 0.019 -0.203 1.00 0.28 C ATOM 204 N7 DG A 7 -1.341 -0.015 -0.420 1.00 0.25 N ATOM 205 C5 DG A 7 -1.220 0.027 -1.797 1.00 0.25 C ATOM 206 C6 DG A 7 -0.053 0.016 -2.615 1.00 0.23 C ATOM 207 O6 DG A 7 1.129 -0.027 -2.250 1.00 0.20 O ATOM 208 N1 DG A 7 -0.372 0.068 -3.980 1.00 0.26 N ATOM 209 C2 DG A 7 -1.662 0.123 -4.483 1.00 0.31 C ATOM 210 N2 DG A 7 -1.791 0.157 -5.821 1.00 0.36 N ATOM 211 N3 DG A 7 -2.759 0.139 -3.720 1.00 0.33 N ATOM 212 C4 DG A 7 -2.466 0.088 -2.396 1.00 0.29 C ATOM 0 H5' DG A 7 -5.659 3.119 0.601 1.00 0.33 H new ATOM 0 H5'' DG A 7 -7.377 2.899 0.869 1.00 0.33 H new ATOM 0 H4' DG A 7 -7.317 1.958 -1.100 1.00 0.33 H new ATOM 0 H3' DG A 7 -7.350 -0.144 0.704 1.00 0.29 H new ATOM 0 H2' DG A 7 -5.016 -0.751 0.521 1.00 0.27 H new ATOM 0 H2'' DG A 7 -5.698 -1.718 -0.772 1.00 0.27 H new ATOM 0 H1' DG A 7 -5.087 -0.199 -2.442 1.00 0.32 H new ATOM 0 H8 DG A 7 -3.060 -0.003 0.785 1.00 0.28 H new ATOM 0 H1 DG A 7 0.399 0.065 -4.648 1.00 0.26 H new ATOM 0 H21 DG A 7 -2.719 0.198 -6.243 1.00 0.36 H new ATOM 0 H22 DG A 7 -0.961 0.142 -6.414 1.00 0.36 H new ATOM 224 P DG A 8 -8.416 -1.887 -1.180 1.00 0.36 P ATOM 225 OP1 DG A 8 -9.876 -1.848 -1.434 1.00 0.51 O ATOM 226 OP2 DG A 8 -7.953 -2.527 0.077 1.00 0.45 O ATOM 227 O5' DG A 8 -7.693 -2.584 -2.415 1.00 0.34 O ATOM 228 C5' DG A 8 -8.113 -2.332 -3.751 1.00 0.31 C ATOM 229 C4' DG A 8 -7.209 -3.029 -4.743 1.00 0.39 C ATOM 230 O4' DG A 8 -5.900 -2.441 -4.714 1.00 0.45 O ATOM 231 C3' DG A 8 -6.939 -4.498 -4.462 1.00 0.44 C ATOM 232 O3' DG A 8 -8.004 -5.303 -4.981 1.00 0.44 O ATOM 233 C2' DG A 8 -5.640 -4.744 -5.226 1.00 0.52 C ATOM 234 C1' DG A 8 -4.954 -3.367 -5.232 1.00 0.48 C ATOM 235 N9 DG A 8 -3.731 -3.289 -4.415 1.00 0.45 N ATOM 236 C8 DG A 8 -3.638 -3.249 -3.040 1.00 0.44 C ATOM 237 N7 DG A 8 -2.407 -3.196 -2.612 1.00 0.41 N ATOM 238 C5 DG A 8 -1.637 -3.197 -3.762 1.00 0.39 C ATOM 239 C6 DG A 8 -0.222 -3.150 -3.920 1.00 0.36 C ATOM 240 O6 DG A 8 0.637 -3.104 -3.035 1.00 0.35 O ATOM 241 N1 DG A 8 0.153 -3.165 -5.266 1.00 0.37 N ATOM 242 C2 DG A 8 -0.732 -3.220 -6.327 1.00 0.40 C ATOM 243 N2 DG A 8 -0.195 -3.218 -7.557 1.00 0.41 N ATOM 244 N3 DG A 8 -2.058 -3.267 -6.188 1.00 0.42 N ATOM 245 C4 DG A 8 -2.439 -3.252 -4.887 1.00 0.42 C ATOM 0 H5' DG A 8 -8.109 -1.259 -3.941 1.00 0.31 H new ATOM 0 H5'' DG A 8 -9.139 -2.675 -3.885 1.00 0.31 H new ATOM 0 H4' DG A 8 -7.747 -2.924 -5.685 1.00 0.39 H new ATOM 0 H3' DG A 8 -6.868 -4.744 -3.403 1.00 0.44 H new ATOM 0 H2' DG A 8 -5.023 -5.497 -4.735 1.00 0.52 H new ATOM 0 H2'' DG A 8 -5.832 -5.100 -6.238 1.00 0.52 H new ATOM 0 H1' DG A 8 -4.643 -3.156 -6.255 1.00 0.48 H new ATOM 0 H8 DG A 8 -4.496 -3.260 -2.385 1.00 0.44 H new ATOM 0 H1 DG A 8 1.150 -3.133 -5.481 1.00 0.37 H new ATOM 0 H21 DG A 8 -0.800 -3.257 -8.378 1.00 0.41 H new ATOM 0 H22 DG A 8 0.818 -3.177 -7.671 1.00 0.41 H new ATOM 257 P DC A 9 -8.302 -6.746 -4.344 1.00 0.57 P ATOM 258 OP1 DC A 9 -7.023 -7.487 -4.195 1.00 0.88 O ATOM 259 OP2 DC A 9 -9.382 -7.394 -5.129 1.00 0.76 O ATOM 260 O5' DC A 9 -8.862 -6.388 -2.891 1.00 0.41 O ATOM 261 C5' DC A 9 -9.727 -5.275 -2.671 1.00 0.71 C ATOM 262 C4' DC A 9 -11.005 -5.701 -1.985 1.00 0.51 C ATOM 263 O4' DC A 9 -10.683 -6.267 -0.688 1.00 0.47 O ATOM 264 C3' DC A 9 -11.993 -4.554 -1.720 1.00 0.44 C ATOM 265 O3' DC A 9 -13.323 -4.946 -2.084 1.00 0.42 O ATOM 266 C2' DC A 9 -11.888 -4.316 -0.216 1.00 0.50 C ATOM 267 C1' DC A 9 -11.494 -5.684 0.315 1.00 0.47 C ATOM 268 N1 DC A 9 -10.729 -5.658 1.579 1.00 0.49 N ATOM 269 C2 DC A 9 -11.175 -6.440 2.662 1.00 0.62 C ATOM 270 O2 DC A 9 -12.199 -7.131 2.523 1.00 0.76 O ATOM 271 N3 DC A 9 -10.477 -6.420 3.830 1.00 0.66 N ATOM 272 C4 DC A 9 -9.375 -5.661 3.945 1.00 0.54 C ATOM 273 N4 DC A 9 -8.724 -5.673 5.109 1.00 0.58 N ATOM 274 C5 DC A 9 -8.897 -4.855 2.860 1.00 0.43 C ATOM 275 C6 DC A 9 -9.598 -4.885 1.706 1.00 0.42 C ATOM 0 H5' DC A 9 -9.963 -4.801 -3.624 1.00 0.71 H new ATOM 0 H5'' DC A 9 -9.216 -4.529 -2.062 1.00 0.71 H new ATOM 0 H4' DC A 9 -11.477 -6.410 -2.665 1.00 0.51 H new ATOM 0 H3' DC A 9 -11.769 -3.658 -2.300 1.00 0.44 H new ATOM 0 H2' DC A 9 -11.141 -3.559 0.022 1.00 0.50 H new ATOM 0 H2'' DC A 9 -12.833 -3.975 0.206 1.00 0.50 H new ATOM 0 H1' DC A 9 -12.405 -6.239 0.537 1.00 0.47 H new ATOM 0 H41 DC A 9 -7.883 -5.108 5.229 1.00 0.58 H new ATOM 0 H42 DC A 9 -9.067 -6.247 5.879 1.00 0.58 H new ATOM 0 H5 DC A 9 -8.010 -4.247 2.962 1.00 0.43 H new ATOM 0 H6 DC A 9 -9.265 -4.291 0.868 1.00 0.42 H new ATOM 287 P DG A 10 -14.401 -3.825 -2.488 1.00 0.42 P ATOM 288 OP1 DG A 10 -13.967 -2.512 -1.947 1.00 0.61 O ATOM 289 OP2 DG A 10 -15.750 -4.310 -2.103 1.00 0.55 O ATOM 290 O5' DG A 10 -14.302 -3.791 -4.085 1.00 0.49 O ATOM 291 C5' DG A 10 -13.246 -3.114 -4.768 1.00 0.61 C ATOM 292 C4' DG A 10 -13.780 -1.949 -5.577 1.00 0.39 C ATOM 293 O4' DG A 10 -13.980 -0.800 -4.706 1.00 0.32 O ATOM 294 C3' DG A 10 -12.831 -1.423 -6.650 1.00 0.39 C ATOM 295 O3' DG A 10 -13.573 -0.637 -7.596 1.00 0.48 O ATOM 296 C2' DG A 10 -11.925 -0.544 -5.808 1.00 0.31 C ATOM 297 C1' DG A 10 -12.951 0.164 -4.941 1.00 0.28 C ATOM 298 N9 DG A 10 -12.471 0.653 -3.642 1.00 0.38 N ATOM 299 C8 DG A 10 -12.026 -0.094 -2.577 1.00 0.54 C ATOM 300 N7 DG A 10 -11.706 0.633 -1.538 1.00 0.70 N ATOM 301 C5 DG A 10 -11.949 1.938 -1.942 1.00 0.67 C ATOM 302 C6 DG A 10 -11.791 3.175 -1.240 1.00 0.86 C ATOM 303 O6 DG A 10 -11.394 3.359 -0.083 1.00 1.04 O ATOM 304 N1 DG A 10 -12.156 4.271 -2.030 1.00 0.91 N ATOM 305 C2 DG A 10 -12.611 4.187 -3.331 1.00 0.82 C ATOM 306 N2 DG A 10 -12.904 5.346 -3.934 1.00 1.00 N ATOM 307 N3 DG A 10 -12.764 3.041 -3.992 1.00 0.62 N ATOM 308 C4 DG A 10 -12.418 1.964 -3.243 1.00 0.52 C ATOM 0 H5' DG A 10 -12.728 -3.811 -5.427 1.00 0.61 H new ATOM 0 H5'' DG A 10 -12.513 -2.754 -4.046 1.00 0.61 H new ATOM 0 H4' DG A 10 -14.684 -2.344 -6.041 1.00 0.39 H new ATOM 0 H3' DG A 10 -12.306 -2.181 -7.231 1.00 0.39 H new ATOM 0 H2' DG A 10 -11.215 -1.125 -5.219 1.00 0.31 H new ATOM 0 H2'' DG A 10 -11.343 0.151 -6.413 1.00 0.31 H new ATOM 0 H1' DG A 10 -13.265 1.062 -5.472 1.00 0.28 H new ATOM 0 H8 DG A 10 -11.949 -1.171 -2.596 1.00 0.54 H new ATOM 0 H1 DG A 10 -12.080 5.199 -1.614 1.00 0.91 H new ATOM 0 H21 DG A 10 -13.245 5.349 -4.895 1.00 1.00 H new ATOM 0 H22 DG A 10 -12.787 6.226 -3.432 1.00 1.00 H new ATOM 320 P DC A 11 -13.053 -0.441 -9.098 1.00 0.70 P ATOM 321 OP1 DC A 11 -13.776 -1.391 -9.982 1.00 0.73 O ATOM 322 OP2 DC A 11 -11.572 -0.490 -9.109 1.00 0.87 O ATOM 323 O5' DC A 11 -13.545 1.048 -9.429 1.00 0.96 O ATOM 324 C5' DC A 11 -12.647 2.161 -9.486 1.00 1.13 C ATOM 325 C4' DC A 11 -12.475 2.799 -8.121 1.00 0.96 C ATOM 326 O4' DC A 11 -11.611 1.957 -7.322 1.00 1.05 O ATOM 327 C3' DC A 11 -11.803 4.188 -8.135 1.00 1.14 C ATOM 328 O3' DC A 11 -12.724 5.203 -7.712 1.00 1.14 O ATOM 329 C2' DC A 11 -10.665 4.058 -7.129 1.00 1.07 C ATOM 330 C1' DC A 11 -10.360 2.582 -7.157 1.00 1.00 C ATOM 331 N1 DC A 11 -9.447 2.090 -8.235 1.00 1.21 N ATOM 332 C2 DC A 11 -8.871 2.972 -9.202 1.00 1.66 C ATOM 333 O2 DC A 11 -9.092 4.191 -9.158 1.00 2.00 O ATOM 334 N3 DC A 11 -8.057 2.456 -10.163 1.00 1.82 N ATOM 335 C4 DC A 11 -7.798 1.143 -10.201 1.00 1.65 C ATOM 336 N4 DC A 11 -7.002 0.688 -11.168 1.00 1.90 N ATOM 337 C5 DC A 11 -8.354 0.236 -9.248 1.00 1.39 C ATOM 338 C6 DC A 11 -9.160 0.746 -8.298 1.00 1.16 C ATOM 0 H5' DC A 11 -13.026 2.901 -10.191 1.00 1.13 H new ATOM 0 H5'' DC A 11 -11.678 1.831 -9.860 1.00 1.13 H new ATOM 0 H4' DC A 11 -13.486 2.912 -7.728 1.00 0.96 H new ATOM 0 H3' DC A 11 -11.461 4.475 -9.130 1.00 1.14 H new ATOM 0 H2' DC A 11 -9.800 4.655 -7.418 1.00 1.07 H new ATOM 0 H2'' DC A 11 -10.964 4.390 -6.135 1.00 1.07 H new ATOM 0 H1' DC A 11 -9.821 2.351 -6.238 1.00 1.00 H new ATOM 0 H41 DC A 11 -6.785 -0.307 -11.224 1.00 1.90 H new ATOM 0 H42 DC A 11 -6.609 1.335 -11.852 1.00 1.90 H new ATOM 0 H5 DC A 11 -8.136 -0.821 -9.288 1.00 1.39 H new ATOM 0 H6 DC A 11 -9.593 0.082 -7.565 1.00 1.16 H new ATOM 350 P DT A 12 -12.258 6.743 -7.720 1.00 1.37 P ATOM 351 OP1 DT A 12 -13.456 7.605 -7.895 1.00 1.81 O ATOM 352 OP2 DT A 12 -11.152 6.906 -8.699 1.00 1.48 O ATOM 353 O5' DT A 12 -11.688 6.955 -6.239 1.00 1.22 O ATOM 354 C5' DT A 12 -10.357 7.423 -5.997 1.00 1.24 C ATOM 355 C4' DT A 12 -9.876 6.996 -4.623 1.00 1.07 C ATOM 356 O4' DT A 12 -9.890 5.565 -4.539 1.00 0.76 O ATOM 357 C3' DT A 12 -8.430 7.361 -4.293 1.00 1.03 C ATOM 358 O3' DT A 12 -8.355 8.650 -3.661 1.00 1.12 O ATOM 359 C2' DT A 12 -7.996 6.266 -3.309 1.00 0.94 C ATOM 360 C1' DT A 12 -9.011 5.139 -3.515 1.00 0.73 C ATOM 361 N1 DT A 12 -8.421 3.846 -3.912 1.00 0.44 N ATOM 362 C2 DT A 12 -8.500 2.790 -3.018 1.00 0.53 C ATOM 363 O2 DT A 12 -9.031 2.884 -1.925 1.00 0.76 O ATOM 364 N3 DT A 12 -7.925 1.615 -3.454 1.00 0.54 N ATOM 365 C4 DT A 12 -7.296 1.398 -4.667 1.00 0.50 C ATOM 366 O4 DT A 12 -6.825 0.296 -4.924 1.00 0.74 O ATOM 367 C5 DT A 12 -7.249 2.546 -5.554 1.00 0.37 C ATOM 368 C7 DT A 12 -6.590 2.397 -6.883 1.00 0.61 C ATOM 369 C6 DT A 12 -7.803 3.700 -5.143 1.00 0.35 C ATOM 0 H5' DT A 12 -10.329 8.510 -6.075 1.00 1.24 H new ATOM 0 H5'' DT A 12 -9.685 7.031 -6.760 1.00 1.24 H new ATOM 0 H4' DT A 12 -10.548 7.514 -3.939 1.00 1.07 H new ATOM 0 H3' DT A 12 -7.801 7.418 -5.182 1.00 1.03 H new ATOM 0 H2' DT A 12 -6.980 5.928 -3.515 1.00 0.94 H new ATOM 0 H2'' DT A 12 -8.009 6.629 -2.281 1.00 0.94 H new ATOM 0 H1' DT A 12 -9.503 4.960 -2.559 1.00 0.73 H new ATOM 0 H3 DT A 12 -7.968 0.822 -2.814 1.00 0.54 H new ATOM 0 H71 DT A 12 -7.060 3.070 -7.600 1.00 0.61 H new ATOM 0 H72 DT A 12 -5.532 2.643 -6.794 1.00 0.61 H new ATOM 0 H73 DT A 12 -6.695 1.368 -7.228 1.00 0.61 H new ATOM 0 H6 DT A 12 -7.764 4.553 -5.804 1.00 0.35 H new ATOM 382 P DA A 13 -7.497 9.840 -4.329 1.00 1.13 P ATOM 383 OP1 DA A 13 -7.990 11.139 -3.802 1.00 1.23 O ATOM 384 OP2 DA A 13 -7.503 9.661 -5.803 1.00 1.15 O ATOM 385 O5' DA A 13 -6.011 9.595 -3.771 1.00 1.01 O ATOM 386 C5' DA A 13 -5.333 8.359 -3.978 1.00 0.96 C ATOM 387 C4' DA A 13 -4.682 8.308 -5.338 1.00 0.91 C ATOM 388 O4' DA A 13 -3.273 8.648 -5.197 1.00 0.91 O ATOM 389 C3' DA A 13 -4.700 6.921 -5.990 1.00 0.87 C ATOM 390 O3' DA A 13 -4.800 7.053 -7.413 1.00 0.93 O ATOM 391 C2' DA A 13 -3.356 6.340 -5.607 1.00 0.76 C ATOM 392 C1' DA A 13 -2.460 7.561 -5.625 1.00 0.81 C ATOM 393 N9 DA A 13 -1.295 7.461 -4.731 1.00 0.78 N ATOM 394 C8 DA A 13 -1.272 7.526 -3.358 1.00 0.84 C ATOM 395 N7 DA A 13 -0.073 7.395 -2.840 1.00 0.83 N ATOM 396 C5 DA A 13 0.754 7.233 -3.947 1.00 0.75 C ATOM 397 C6 DA A 13 2.154 7.045 -4.081 1.00 0.73 C ATOM 398 N6 DA A 13 3.006 7.005 -3.050 1.00 0.76 N ATOM 399 N1 DA A 13 2.657 6.916 -5.335 1.00 0.71 N ATOM 400 C2 DA A 13 1.808 6.974 -6.379 1.00 0.73 C ATOM 401 N3 DA A 13 0.481 7.147 -6.380 1.00 0.73 N ATOM 402 C4 DA A 13 0.009 7.272 -5.120 1.00 0.73 C ATOM 0 H5' DA A 13 -6.039 7.534 -3.880 1.00 0.96 H new ATOM 0 H5'' DA A 13 -4.576 8.224 -3.206 1.00 0.96 H new ATOM 0 H4' DA A 13 -5.251 9.000 -5.959 1.00 0.91 H new ATOM 0 H3' DA A 13 -5.539 6.301 -5.672 1.00 0.87 H new ATOM 0 H2' DA A 13 -3.382 5.869 -4.624 1.00 0.76 H new ATOM 0 H2'' DA A 13 -3.024 5.581 -6.316 1.00 0.76 H new ATOM 0 H1' DA A 13 -2.055 7.682 -6.630 1.00 0.81 H new ATOM 0 H8 DA A 13 -2.160 7.672 -2.760 1.00 0.84 H new ATOM 0 H61 DA A 13 4.003 6.866 -3.217 1.00 0.76 H new ATOM 0 H62 DA A 13 2.659 7.113 -2.097 1.00 0.76 H new ATOM 0 H2 DA A 13 2.262 6.866 -7.353 1.00 0.73 H new ATOM 414 P DG A 14 -6.029 6.396 -8.204 1.00 0.94 P ATOM 415 OP1 DG A 14 -6.338 7.234 -9.392 1.00 1.19 O ATOM 416 OP2 DG A 14 -7.135 6.133 -7.256 1.00 1.12 O ATOM 417 O5' DG A 14 -5.413 5.006 -8.695 1.00 0.57 O ATOM 418 C5' DG A 14 -5.023 4.815 -10.053 1.00 0.56 C ATOM 419 C4' DG A 14 -3.737 4.021 -10.177 1.00 0.45 C ATOM 420 O4' DG A 14 -2.835 4.294 -9.063 1.00 0.36 O ATOM 421 C3' DG A 14 -3.898 2.480 -10.187 1.00 0.38 C ATOM 422 O3' DG A 14 -3.066 1.939 -11.208 1.00 0.69 O ATOM 423 C2' DG A 14 -3.352 2.069 -8.832 1.00 0.37 C ATOM 424 C1' DG A 14 -2.249 3.074 -8.686 1.00 0.32 C ATOM 425 N9 DG A 14 -1.668 3.208 -7.350 1.00 0.29 N ATOM 426 C8 DG A 14 -2.311 3.225 -6.135 1.00 0.32 C ATOM 427 N7 DG A 14 -1.487 3.328 -5.125 1.00 0.38 N ATOM 428 C5 DG A 14 -0.230 3.380 -5.710 1.00 0.35 C ATOM 429 C6 DG A 14 1.067 3.486 -5.122 1.00 0.38 C ATOM 430 O6 DG A 14 1.356 3.555 -3.923 1.00 0.45 O ATOM 431 N1 DG A 14 2.080 3.502 -6.095 1.00 0.37 N ATOM 432 C2 DG A 14 1.856 3.428 -7.458 1.00 0.39 C ATOM 433 N2 DG A 14 2.931 3.446 -8.258 1.00 0.46 N ATOM 434 N3 DG A 14 0.653 3.331 -8.006 1.00 0.38 N ATOM 435 C4 DG A 14 -0.334 3.311 -7.082 1.00 0.32 C ATOM 0 H5' DG A 14 -4.895 5.786 -10.532 1.00 0.56 H new ATOM 0 H5'' DG A 14 -5.820 4.298 -10.588 1.00 0.56 H new ATOM 0 H4' DG A 14 -3.353 4.348 -11.143 1.00 0.45 H new ATOM 0 H3' DG A 14 -4.920 2.145 -10.365 1.00 0.38 H new ATOM 0 H2' DG A 14 -4.097 2.148 -8.040 1.00 0.37 H new ATOM 0 H2'' DG A 14 -2.986 1.042 -8.823 1.00 0.37 H new ATOM 0 H1' DG A 14 -1.406 2.751 -9.297 1.00 0.32 H new ATOM 0 H8 DG A 14 -3.384 3.160 -6.026 1.00 0.32 H new ATOM 0 H1 DG A 14 3.046 3.573 -5.775 1.00 0.37 H new ATOM 0 H21 DG A 14 2.815 3.394 -9.270 1.00 0.46 H new ATOM 0 H22 DG A 14 3.866 3.512 -7.855 1.00 0.46 H new ATOM 447 P DG A 15 -3.520 0.661 -12.043 1.00 0.68 P ATOM 448 OP1 DG A 15 -4.527 1.084 -13.049 1.00 1.07 O ATOM 449 OP2 DG A 15 -3.890 -0.437 -11.116 1.00 1.05 O ATOM 450 O5' DG A 15 -2.161 0.281 -12.791 1.00 0.61 O ATOM 451 C5' DG A 15 -1.444 1.255 -13.549 1.00 0.65 C ATOM 452 C4' DG A 15 0.052 1.152 -13.324 1.00 0.54 C ATOM 453 O4' DG A 15 0.364 1.375 -11.917 1.00 0.46 O ATOM 454 C3' DG A 15 0.669 -0.210 -13.681 1.00 0.50 C ATOM 455 O3' DG A 15 1.885 -0.003 -14.421 1.00 0.55 O ATOM 456 C2' DG A 15 0.960 -0.824 -12.307 1.00 0.46 C ATOM 457 C1' DG A 15 1.333 0.434 -11.499 1.00 0.43 C ATOM 458 N9 DG A 15 1.244 0.289 -10.031 1.00 0.39 N ATOM 459 C8 DG A 15 0.103 0.162 -9.274 1.00 0.41 C ATOM 460 N7 DG A 15 0.337 0.088 -7.993 1.00 0.39 N ATOM 461 C5 DG A 15 1.712 0.166 -7.888 1.00 0.35 C ATOM 462 C6 DG A 15 2.545 0.137 -6.732 1.00 0.32 C ATOM 463 O6 DG A 15 2.201 0.044 -5.551 1.00 0.33 O ATOM 464 N1 DG A 15 3.898 0.238 -7.064 1.00 0.29 N ATOM 465 C2 DG A 15 4.379 0.355 -8.359 1.00 0.29 C ATOM 466 N2 DG A 15 5.707 0.424 -8.496 1.00 0.26 N ATOM 467 N3 DG A 15 3.606 0.388 -9.443 1.00 0.31 N ATOM 468 C4 DG A 15 2.292 0.288 -9.138 1.00 0.34 C ATOM 0 H5' DG A 15 -1.785 2.253 -13.274 1.00 0.65 H new ATOM 0 H5'' DG A 15 -1.662 1.124 -14.609 1.00 0.65 H new ATOM 0 H4' DG A 15 0.474 1.907 -13.987 1.00 0.54 H new ATOM 0 H3' DG A 15 0.032 -0.843 -14.299 1.00 0.50 H new ATOM 0 H2' DG A 15 0.093 -1.339 -11.893 1.00 0.46 H new ATOM 0 H2'' DG A 15 1.774 -1.548 -12.342 1.00 0.46 H new ATOM 0 H1' DG A 15 2.375 0.697 -11.682 1.00 0.43 H new ATOM 0 H8 DG A 15 -0.889 0.127 -9.699 1.00 0.41 H new ATOM 0 H1 DG A 15 4.577 0.225 -6.303 1.00 0.29 H new ATOM 0 H21 DG A 15 6.120 0.511 -9.425 1.00 0.26 H new ATOM 0 H22 DG A 15 6.307 0.390 -7.672 1.00 0.26 H new ATOM 480 P DG A 16 2.657 -1.243 -15.099 1.00 0.67 P ATOM 481 OP1 DG A 16 3.429 -0.749 -16.268 1.00 0.84 O ATOM 482 OP2 DG A 16 1.688 -2.344 -15.331 1.00 0.87 O ATOM 483 O5' DG A 16 3.676 -1.675 -13.952 1.00 0.52 O ATOM 484 C5' DG A 16 4.578 -0.735 -13.374 1.00 0.41 C ATOM 485 C4' DG A 16 5.623 -1.432 -12.533 1.00 0.38 C ATOM 486 O4' DG A 16 5.194 -1.454 -11.157 1.00 0.41 O ATOM 487 C3' DG A 16 5.920 -2.898 -12.901 1.00 0.51 C ATOM 488 O3' DG A 16 7.340 -3.163 -12.857 1.00 0.69 O ATOM 489 C2' DG A 16 5.220 -3.655 -11.791 1.00 0.51 C ATOM 490 C1' DG A 16 5.460 -2.721 -10.621 1.00 0.42 C ATOM 491 N9 DG A 16 4.605 -2.904 -9.443 1.00 0.38 N ATOM 492 C8 DG A 16 3.230 -2.965 -9.395 1.00 0.40 C ATOM 493 N7 DG A 16 2.767 -3.047 -8.176 1.00 0.38 N ATOM 494 C5 DG A 16 3.900 -3.038 -7.376 1.00 0.35 C ATOM 495 C6 DG A 16 4.033 -3.097 -5.955 1.00 0.34 C ATOM 496 O6 DG A 16 3.136 -3.168 -5.109 1.00 0.36 O ATOM 497 N1 DG A 16 5.376 -3.056 -5.557 1.00 0.34 N ATOM 498 C2 DG A 16 6.451 -2.973 -6.427 1.00 0.34 C ATOM 499 N2 DG A 16 7.676 -2.943 -5.885 1.00 0.36 N ATOM 500 N3 DG A 16 6.330 -2.918 -7.747 1.00 0.34 N ATOM 501 C4 DG A 16 5.039 -2.953 -8.149 1.00 0.35 C ATOM 0 H5' DG A 16 4.025 -0.026 -12.758 1.00 0.41 H new ATOM 0 H5'' DG A 16 5.065 -0.161 -14.162 1.00 0.41 H new ATOM 0 H4' DG A 16 6.530 -0.856 -12.715 1.00 0.38 H new ATOM 0 H3' DG A 16 5.592 -3.167 -13.905 1.00 0.51 H new ATOM 0 H2' DG A 16 4.159 -3.800 -11.994 1.00 0.51 H new ATOM 0 H2'' DG A 16 5.651 -4.643 -11.628 1.00 0.51 H new ATOM 0 H1' DG A 16 6.466 -2.898 -10.241 1.00 0.42 H new ATOM 0 H8 DG A 16 2.601 -2.947 -10.273 1.00 0.40 H new ATOM 0 H1 DG A 16 5.576 -3.090 -4.557 1.00 0.34 H new ATOM 0 H21 DG A 16 8.498 -2.882 -6.486 1.00 0.36 H new ATOM 0 H22 DG A 16 7.786 -2.981 -4.872 1.00 0.36 H new ATOM 513 P DA A 17 8.350 -2.461 -13.901 1.00 0.76 P ATOM 514 OP1 DA A 17 7.776 -2.560 -15.266 1.00 0.75 O ATOM 515 OP2 DA A 17 9.712 -3.008 -13.684 1.00 1.03 O ATOM 516 O5' DA A 17 8.313 -0.932 -13.430 1.00 0.84 O ATOM 517 C5' DA A 17 9.474 -0.104 -13.399 1.00 0.87 C ATOM 518 C4' DA A 17 9.278 1.121 -14.272 1.00 0.99 C ATOM 519 O4' DA A 17 9.532 0.766 -15.662 1.00 1.24 O ATOM 520 C3' DA A 17 7.857 1.710 -14.248 1.00 0.92 C ATOM 521 O3' DA A 17 7.915 3.149 -14.253 1.00 1.18 O ATOM 522 C2' DA A 17 7.247 1.200 -15.541 1.00 1.05 C ATOM 523 C1' DA A 17 8.441 1.179 -16.471 1.00 1.34 C ATOM 524 N9 DA A 17 8.299 0.264 -17.630 1.00 1.59 N ATOM 525 C8 DA A 17 8.720 -1.055 -17.765 1.00 1.69 C ATOM 526 N7 DA A 17 8.413 -1.590 -18.921 1.00 1.99 N ATOM 527 C5 DA A 17 7.750 -0.578 -19.599 1.00 2.13 C ATOM 528 C6 DA A 17 7.169 -0.520 -20.890 1.00 2.53 C ATOM 529 N6 DA A 17 7.172 -1.542 -21.751 1.00 2.82 N ATOM 530 N1 DA A 17 6.579 0.645 -21.268 1.00 2.69 N ATOM 531 C2 DA A 17 6.580 1.675 -20.403 1.00 2.47 C ATOM 532 N3 DA A 17 7.094 1.742 -19.165 1.00 2.07 N ATOM 533 C4 DA A 17 7.672 0.569 -18.818 1.00 1.90 C ATOM 0 H5' DA A 17 10.340 -0.669 -13.744 1.00 0.87 H new ATOM 0 H5'' DA A 17 9.682 0.203 -12.374 1.00 0.87 H new ATOM 0 H4' DA A 17 9.967 1.863 -13.869 1.00 0.99 H new ATOM 0 H3' DA A 17 7.286 1.425 -13.364 1.00 0.92 H new ATOM 0 H2' DA A 17 6.807 0.210 -15.421 1.00 1.05 H new ATOM 0 H2'' DA A 17 6.458 1.857 -15.906 1.00 1.05 H new ATOM 0 H1' DA A 17 8.569 2.166 -16.916 1.00 1.34 H new ATOM 0 H8 DA A 17 9.250 -1.588 -16.990 1.00 1.69 H new ATOM 0 H61 DA A 17 6.736 -1.438 -22.667 1.00 2.82 H new ATOM 0 H62 DA A 17 7.610 -2.426 -21.492 1.00 2.82 H new ATOM 0 H2 DA A 17 6.099 2.576 -20.754 1.00 2.47 H new ATOM 545 P DG A 18 7.124 4.012 -13.146 1.00 1.17 P ATOM 546 OP1 DG A 18 5.865 3.310 -12.791 1.00 1.26 O ATOM 547 OP2 DG A 18 7.018 5.415 -13.622 1.00 1.61 O ATOM 548 O5' DG A 18 8.116 3.960 -11.898 1.00 0.77 O ATOM 549 C5' DG A 18 9.286 4.772 -11.845 1.00 0.54 C ATOM 550 C4' DG A 18 10.148 4.402 -10.654 1.00 0.39 C ATOM 551 O4' DG A 18 9.404 4.652 -9.429 1.00 0.41 O ATOM 552 C3' DG A 18 10.581 2.932 -10.597 1.00 0.32 C ATOM 553 O3' DG A 18 11.946 2.835 -10.146 1.00 0.34 O ATOM 554 C2' DG A 18 9.630 2.322 -9.571 1.00 0.31 C ATOM 555 C1' DG A 18 9.377 3.486 -8.618 1.00 0.36 C ATOM 556 N9 DG A 18 8.074 3.436 -7.915 1.00 0.36 N ATOM 557 C8 DG A 18 6.823 3.369 -8.491 1.00 0.39 C ATOM 558 N7 DG A 18 5.850 3.398 -7.624 1.00 0.40 N ATOM 559 C5 DG A 18 6.481 3.479 -6.398 1.00 0.37 C ATOM 560 C6 DG A 18 5.923 3.535 -5.090 1.00 0.37 C ATOM 561 O6 DG A 18 4.730 3.536 -4.774 1.00 0.38 O ATOM 562 N1 DG A 18 6.911 3.603 -4.106 1.00 0.35 N ATOM 563 C2 DG A 18 8.270 3.615 -4.357 1.00 0.34 C ATOM 564 N2 DG A 18 9.067 3.646 -3.279 1.00 0.33 N ATOM 565 N3 DG A 18 8.805 3.571 -5.581 1.00 0.34 N ATOM 566 C4 DG A 18 7.858 3.503 -6.552 1.00 0.35 C ATOM 0 H5' DG A 18 9.002 5.822 -11.781 1.00 0.54 H new ATOM 0 H5'' DG A 18 9.859 4.652 -12.765 1.00 0.54 H new ATOM 0 H4' DG A 18 11.045 5.012 -10.759 1.00 0.39 H new ATOM 0 H3' DG A 18 10.538 2.431 -11.564 1.00 0.32 H new ATOM 0 H2' DG A 18 8.708 1.969 -10.033 1.00 0.31 H new ATOM 0 H2'' DG A 18 10.078 1.470 -9.060 1.00 0.31 H new ATOM 0 H1' DG A 18 10.133 3.460 -7.833 1.00 0.36 H new ATOM 0 H8 DG A 18 6.665 3.299 -9.557 1.00 0.39 H new ATOM 0 H1 DG A 18 6.608 3.647 -3.133 1.00 0.35 H new ATOM 0 H21 DG A 18 10.080 3.656 -3.394 1.00 0.33 H new ATOM 0 H22 DG A 18 8.660 3.659 -2.344 1.00 0.33 H new ATOM 578 P DG A 19 12.660 1.396 -10.000 1.00 0.36 P ATOM 579 OP1 DG A 19 14.114 1.549 -10.258 1.00 0.50 O ATOM 580 OP2 DG A 19 11.918 0.403 -10.818 1.00 0.44 O ATOM 581 O5' DG A 19 12.440 1.065 -8.453 1.00 0.28 O ATOM 582 C5' DG A 19 12.959 1.922 -7.441 1.00 0.44 C ATOM 583 C4' DG A 19 12.706 1.360 -6.058 1.00 0.49 C ATOM 584 O4' DG A 19 11.312 1.549 -5.700 1.00 0.44 O ATOM 585 C3' DG A 19 12.976 -0.146 -5.894 1.00 0.53 C ATOM 586 O3' DG A 19 13.774 -0.358 -4.715 1.00 0.74 O ATOM 587 C2' DG A 19 11.575 -0.740 -5.726 1.00 0.46 C ATOM 588 C1' DG A 19 10.842 0.391 -5.046 1.00 0.43 C ATOM 589 N9 DG A 19 9.378 0.329 -5.154 1.00 0.31 N ATOM 590 C8 DG A 19 8.623 0.295 -6.302 1.00 0.28 C ATOM 591 N7 DG A 19 7.345 0.260 -6.073 1.00 0.23 N ATOM 592 C5 DG A 19 7.238 0.266 -4.698 1.00 0.21 C ATOM 593 C6 DG A 19 6.081 0.237 -3.872 1.00 0.23 C ATOM 594 O6 DG A 19 4.894 0.202 -4.228 1.00 0.27 O ATOM 595 N1 DG A 19 6.417 0.254 -2.511 1.00 0.24 N ATOM 596 C2 DG A 19 7.715 0.293 -2.023 1.00 0.25 C ATOM 597 N2 DG A 19 7.870 0.292 -0.691 1.00 0.29 N ATOM 598 N3 DG A 19 8.796 0.324 -2.797 1.00 0.27 N ATOM 599 C4 DG A 19 8.487 0.308 -4.112 1.00 0.25 C ATOM 0 H5' DG A 19 12.499 2.907 -7.525 1.00 0.44 H new ATOM 0 H5'' DG A 19 14.030 2.057 -7.590 1.00 0.44 H new ATOM 0 H4' DG A 19 13.407 1.901 -5.423 1.00 0.49 H new ATOM 0 H3' DG A 19 13.519 -0.595 -6.726 1.00 0.53 H new ATOM 0 H2' DG A 19 11.124 -1.003 -6.683 1.00 0.46 H new ATOM 0 H2'' DG A 19 11.584 -1.645 -5.119 1.00 0.46 H new ATOM 0 H1' DG A 19 11.035 0.359 -3.974 1.00 0.43 H new ATOM 0 H8 DG A 19 9.049 0.297 -7.294 1.00 0.28 H new ATOM 0 H1 DG A 19 5.655 0.236 -1.833 1.00 0.24 H new ATOM 0 H21 DG A 19 8.806 0.320 -0.286 1.00 0.29 H new ATOM 0 H22 DG A 19 7.052 0.263 -0.082 1.00 0.29 H new ATOM 611 P DG A 20 14.311 -1.825 -4.319 1.00 0.84 P ATOM 612 OP1 DG A 20 15.775 -1.753 -4.077 1.00 1.04 O ATOM 613 OP2 DG A 20 13.831 -2.808 -5.322 1.00 0.86 O ATOM 614 O5' DG A 20 13.569 -2.087 -2.932 1.00 0.88 O ATOM 615 C5' DG A 20 13.761 -1.222 -1.814 1.00 1.08 C ATOM 616 C4' DG A 20 13.127 -1.797 -0.564 1.00 1.01 C ATOM 617 O4' DG A 20 11.683 -1.619 -0.630 1.00 0.85 O ATOM 618 C3' DG A 20 13.353 -3.300 -0.359 1.00 1.01 C ATOM 619 O3' DG A 20 13.536 -3.594 1.039 1.00 1.11 O ATOM 620 C2' DG A 20 12.061 -3.904 -0.873 1.00 0.82 C ATOM 621 C1' DG A 20 11.037 -2.867 -0.439 1.00 0.72 C ATOM 622 N9 DG A 20 9.793 -2.887 -1.223 1.00 0.54 N ATOM 623 C8 DG A 20 9.681 -2.872 -2.594 1.00 0.48 C ATOM 624 N7 DG A 20 8.446 -2.926 -3.006 1.00 0.38 N ATOM 625 C5 DG A 20 7.692 -2.976 -1.848 1.00 0.37 C ATOM 626 C6 DG A 20 6.281 -3.045 -1.678 1.00 0.32 C ATOM 627 O6 DG A 20 5.413 -3.077 -2.556 1.00 0.30 O ATOM 628 N1 DG A 20 5.918 -3.079 -0.328 1.00 0.37 N ATOM 629 C2 DG A 20 6.815 -3.051 0.725 1.00 0.44 C ATOM 630 N2 DG A 20 6.284 -3.096 1.957 1.00 0.49 N ATOM 631 N3 DG A 20 8.141 -2.987 0.576 1.00 0.51 N ATOM 632 C4 DG A 20 8.508 -2.953 -0.732 1.00 0.46 C ATOM 0 H5' DG A 20 13.329 -0.245 -2.028 1.00 1.08 H new ATOM 0 H5'' DG A 20 14.827 -1.069 -1.647 1.00 1.08 H new ATOM 0 H4' DG A 20 13.602 -1.263 0.259 1.00 1.01 H new ATOM 0 H3' DG A 20 14.239 -3.683 -0.865 1.00 1.01 H new ATOM 0 H2' DG A 20 12.074 -4.037 -1.955 1.00 0.82 H new ATOM 0 H2'' DG A 20 11.864 -4.882 -0.434 1.00 0.82 H new ATOM 0 H1' DG A 20 10.732 -3.066 0.588 1.00 0.72 H new ATOM 0 H8 DG A 20 10.529 -2.821 -3.260 1.00 0.48 H new ATOM 0 H1 DG A 20 4.924 -3.128 -0.104 1.00 0.37 H new ATOM 0 H21 DG A 20 6.892 -3.079 2.776 1.00 0.49 H new ATOM 0 H22 DG A 20 5.272 -3.148 2.075 1.00 0.49 H new ATOM 644 P DT A 21 14.042 -5.052 1.509 1.00 1.25 P ATOM 645 OP1 DT A 21 14.793 -4.913 2.784 1.00 1.48 O ATOM 646 OP2 DT A 21 14.737 -5.709 0.373 1.00 1.36 O ATOM 647 O5' DT A 21 12.671 -5.820 1.794 1.00 1.10 O ATOM 648 C5' DT A 21 12.016 -5.722 3.056 1.00 1.10 C ATOM 649 C4' DT A 21 10.793 -6.616 3.104 1.00 1.09 C ATOM 650 O4' DT A 21 9.757 -6.070 2.264 1.00 0.95 O ATOM 651 C3' DT A 21 11.000 -8.027 2.574 1.00 1.19 C ATOM 652 O3' DT A 21 11.523 -8.884 3.593 1.00 1.38 O ATOM 653 C2' DT A 21 9.590 -8.442 2.178 1.00 1.14 C ATOM 654 C1' DT A 21 8.938 -7.118 1.757 1.00 0.93 C ATOM 655 N1 DT A 21 8.796 -6.927 0.297 1.00 1.00 N ATOM 656 C2 DT A 21 7.593 -6.418 -0.179 1.00 1.13 C ATOM 657 O2 DT A 21 6.648 -6.154 0.547 1.00 1.17 O ATOM 658 N3 DT A 21 7.541 -6.233 -1.544 1.00 1.42 N ATOM 659 C4 DT A 21 8.547 -6.501 -2.461 1.00 1.61 C ATOM 660 O4 DT A 21 8.357 -6.281 -3.655 1.00 1.94 O ATOM 661 C5 DT A 21 9.779 -7.035 -1.899 1.00 1.52 C ATOM 662 C7 DT A 21 10.917 -7.353 -2.824 1.00 1.90 C ATOM 663 C6 DT A 21 9.848 -7.223 -0.563 1.00 1.23 C ATOM 0 H5' DT A 21 11.723 -4.688 3.238 1.00 1.10 H new ATOM 0 H5'' DT A 21 12.707 -6.002 3.851 1.00 1.10 H new ATOM 0 H4' DT A 21 10.546 -6.661 4.165 1.00 1.09 H new ATOM 0 H3' DT A 21 11.715 -8.084 1.753 1.00 1.19 H new ATOM 0 H2' DT A 21 9.597 -9.164 1.362 1.00 1.14 H new ATOM 0 H2'' DT A 21 9.059 -8.906 3.009 1.00 1.14 H new ATOM 0 HO3' DT A 21 11.646 -9.786 3.230 1.00 1.38 H new ATOM 0 H1' DT A 21 7.924 -7.121 2.157 1.00 0.93 H new ATOM 0 H3 DT A 21 6.670 -5.859 -1.920 1.00 1.42 H new ATOM 0 H71 DT A 21 11.862 -7.221 -2.297 1.00 1.90 H new ATOM 0 H72 DT A 21 10.832 -8.385 -3.164 1.00 1.90 H new ATOM 0 H73 DT A 21 10.885 -6.684 -3.684 1.00 1.90 H new ATOM 0 H6 DT A 21 10.761 -7.621 -0.144 1.00 1.23 H new TER 677 DT A 21