USER MOD reduce.3.24.130724 H: found=0, std=0, add=222, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 222 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 DA O5' : rot 180:sc= 0 USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.835 (180deg=-0.835) USER MOD Single : A 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 5.394 8.080 -8.064 1.00 0.20 O ATOM 2 C5' DA A 1 4.904 7.439 -6.885 1.00 0.15 C ATOM 3 C4' DA A 1 3.669 6.593 -7.183 1.00 0.17 C ATOM 4 O4' DA A 1 3.143 6.070 -5.960 1.00 0.18 O ATOM 5 C3' DA A 1 2.530 7.357 -7.874 1.00 0.20 C ATOM 6 O3' DA A 1 2.153 6.669 -9.075 1.00 0.21 O ATOM 7 C2' DA A 1 1.375 7.321 -6.875 1.00 0.23 C ATOM 8 C1' DA A 1 1.723 6.103 -6.038 1.00 0.21 C ATOM 9 N9 DA A 1 1.195 6.147 -4.664 1.00 0.22 N ATOM 10 C8 DA A 1 1.722 5.589 -3.534 1.00 0.26 C ATOM 11 N7 DA A 1 1.020 5.810 -2.460 1.00 0.26 N ATOM 12 C5 DA A 1 -0.053 6.569 -2.909 1.00 0.23 C ATOM 13 C6 DA A 1 -1.161 7.130 -2.250 1.00 0.25 C ATOM 14 N6 DA A 1 -1.378 7.006 -0.937 1.00 0.27 N ATOM 15 N1 DA A 1 -2.034 7.822 -3.003 1.00 0.29 N ATOM 16 C2 DA A 1 -1.812 7.946 -4.306 1.00 0.29 C ATOM 17 N3 DA A 1 -0.812 7.471 -5.034 1.00 0.25 N ATOM 18 C4 DA A 1 0.044 6.780 -4.254 1.00 0.22 C ATOM 0 H5' DA A 1 4.659 8.191 -6.135 1.00 0.15 H new ATOM 0 H5'' DA A 1 5.685 6.808 -6.461 1.00 0.15 H new ATOM 0 H4' DA A 1 4.010 5.814 -7.865 1.00 0.17 H new ATOM 0 H3' DA A 1 2.812 8.374 -8.145 1.00 0.20 H new ATOM 0 H2' DA A 1 1.326 8.229 -6.274 1.00 0.23 H new ATOM 0 H2'' DA A 1 0.410 7.214 -7.370 1.00 0.23 H new ATOM 0 HO5' DA A 1 6.184 8.616 -7.841 1.00 0.20 H new ATOM 0 H1' DA A 1 1.279 5.227 -6.511 1.00 0.21 H new ATOM 0 H8 DA A 1 2.638 5.017 -3.532 1.00 0.26 H new ATOM 0 H61 DA A 1 -2.200 7.435 -0.513 1.00 0.27 H new ATOM 0 H62 DA A 1 -0.721 6.482 -0.359 1.00 0.27 H new ATOM 0 H2 DA A 1 -2.552 8.515 -4.850 1.00 0.29 H new ATOM 31 P DG A 2 1.863 5.084 -9.056 1.00 0.22 P ATOM 32 OP1 DG A 2 0.406 4.875 -8.893 1.00 0.27 O ATOM 33 OP2 DG A 2 2.803 4.459 -8.111 1.00 0.19 O ATOM 34 O5' DG A 2 2.273 4.626 -10.543 1.00 0.23 O ATOM 35 C5' DG A 2 3.590 4.872 -11.043 1.00 0.21 C ATOM 36 C4' DG A 2 4.596 3.821 -10.572 1.00 0.17 C ATOM 37 O4' DG A 2 4.721 3.853 -9.141 1.00 0.16 O ATOM 38 C3' DG A 2 4.231 2.379 -10.953 1.00 0.16 C ATOM 39 O3' DG A 2 5.374 1.760 -11.559 1.00 0.20 O ATOM 40 C2' DG A 2 3.912 1.711 -9.618 1.00 0.16 C ATOM 41 C1' DG A 2 4.803 2.502 -8.688 1.00 0.13 C ATOM 42 N9 DG A 2 4.434 2.461 -7.251 1.00 0.14 N ATOM 43 C8 DG A 2 5.279 2.446 -6.177 1.00 0.12 C ATOM 44 N7 DG A 2 4.680 2.413 -5.022 1.00 0.12 N ATOM 45 C5 DG A 2 3.329 2.407 -5.346 1.00 0.13 C ATOM 46 C6 DG A 2 2.191 2.378 -4.494 1.00 0.15 C ATOM 47 O6 DG A 2 2.159 2.349 -3.266 1.00 0.16 O ATOM 48 N1 DG A 2 1.010 2.386 -5.220 1.00 0.17 N ATOM 49 C2 DG A 2 0.927 2.417 -6.594 1.00 0.17 C ATOM 50 N2 DG A 2 -0.301 2.427 -7.112 1.00 0.19 N ATOM 51 N3 DG A 2 1.994 2.439 -7.398 1.00 0.16 N ATOM 52 C4 DG A 2 3.161 2.435 -6.709 1.00 0.14 C ATOM 0 H5' DG A 2 3.921 5.859 -10.719 1.00 0.21 H new ATOM 0 H5'' DG A 2 3.566 4.886 -12.133 1.00 0.21 H new ATOM 0 H4' DG A 2 5.525 4.085 -11.077 1.00 0.17 H new ATOM 0 H3' DG A 2 3.401 2.309 -11.656 1.00 0.16 H new ATOM 0 H2' DG A 2 2.858 1.797 -9.354 1.00 0.16 H new ATOM 0 H2'' DG A 2 4.155 0.648 -9.619 1.00 0.16 H new ATOM 0 H1' DG A 2 5.799 2.062 -8.728 1.00 0.13 H new ATOM 0 H8 DG A 2 6.354 2.460 -6.278 1.00 0.12 H new ATOM 0 H1 DG A 2 0.135 2.367 -4.696 1.00 0.17 H new ATOM 0 H21 DG A 2 -0.428 2.450 -8.124 1.00 0.19 H new ATOM 0 H22 DG A 2 -1.114 2.412 -6.497 1.00 0.19 H new ATOM 64 P DG A 3 5.395 0.185 -11.901 1.00 0.21 P ATOM 65 OP1 DG A 3 6.178 -0.011 -13.141 1.00 0.30 O ATOM 66 OP2 DG A 3 4.009 -0.328 -11.816 1.00 0.26 O ATOM 67 O5' DG A 3 6.237 -0.427 -10.672 1.00 0.17 O ATOM 68 C5' DG A 3 7.626 -0.112 -10.510 1.00 0.18 C ATOM 69 C4' DG A 3 8.206 -0.779 -9.266 1.00 0.17 C ATOM 70 O4' DG A 3 7.342 -0.531 -8.151 1.00 0.15 O ATOM 71 C3' DG A 3 8.361 -2.293 -9.395 1.00 0.21 C ATOM 72 O3' DG A 3 9.585 -2.705 -8.777 1.00 0.27 O ATOM 73 C2' DG A 3 7.177 -2.855 -8.627 1.00 0.19 C ATOM 74 C1' DG A 3 6.939 -1.778 -7.578 1.00 0.15 C ATOM 75 N9 DG A 3 5.527 -1.651 -7.172 1.00 0.13 N ATOM 76 C8 DG A 3 4.427 -1.437 -7.961 1.00 0.13 C ATOM 77 N7 DG A 3 3.305 -1.380 -7.302 1.00 0.14 N ATOM 78 C5 DG A 3 3.685 -1.571 -5.977 1.00 0.15 C ATOM 79 C6 DG A 3 2.891 -1.612 -4.800 1.00 0.18 C ATOM 80 O6 DG A 3 1.672 -1.481 -4.698 1.00 0.20 O ATOM 81 N1 DG A 3 3.667 -1.828 -3.669 1.00 0.21 N ATOM 82 C2 DG A 3 5.038 -1.985 -3.669 1.00 0.22 C ATOM 83 N2 DG A 3 5.610 -2.183 -2.481 1.00 0.28 N ATOM 84 N3 DG A 3 5.786 -1.947 -4.776 1.00 0.19 N ATOM 85 C4 DG A 3 5.045 -1.737 -5.888 1.00 0.15 C ATOM 0 H5' DG A 3 7.750 0.968 -10.437 1.00 0.18 H new ATOM 0 H5'' DG A 3 8.180 -0.437 -11.391 1.00 0.18 H new ATOM 0 H4' DG A 3 9.199 -0.350 -9.130 1.00 0.17 H new ATOM 0 H3' DG A 3 8.387 -2.631 -10.431 1.00 0.21 H new ATOM 0 H2' DG A 3 6.307 -3.000 -9.268 1.00 0.19 H new ATOM 0 H2'' DG A 3 7.405 -3.821 -8.176 1.00 0.19 H new ATOM 0 H1' DG A 3 7.506 -2.052 -6.688 1.00 0.15 H new ATOM 0 H8 DG A 3 4.485 -1.326 -9.034 1.00 0.13 H new ATOM 0 H1 DG A 3 3.187 -1.874 -2.770 1.00 0.21 H new ATOM 0 H21 DG A 3 6.620 -2.306 -2.416 1.00 0.28 H new ATOM 0 H22 DG A 3 5.037 -2.211 -1.638 1.00 0.28 H new ATOM 97 P DG A 4 10.041 -4.249 -8.828 1.00 0.26 P ATOM 98 OP1 DG A 4 11.501 -4.295 -9.069 1.00 0.29 O ATOM 99 OP2 DG A 4 9.122 -4.973 -9.734 1.00 0.25 O ATOM 100 O5' DG A 4 9.762 -4.750 -7.324 1.00 0.30 O ATOM 101 C5' DG A 4 10.651 -4.391 -6.262 1.00 0.33 C ATOM 102 C4' DG A 4 10.279 -5.095 -4.961 1.00 0.35 C ATOM 103 O4' DG A 4 8.954 -4.716 -4.575 1.00 0.35 O ATOM 104 C3' DG A 4 10.307 -6.621 -5.059 1.00 0.35 C ATOM 105 O3' DG A 4 10.959 -7.165 -3.905 1.00 0.39 O ATOM 106 C2' DG A 4 8.840 -7.025 -5.065 1.00 0.34 C ATOM 107 C1' DG A 4 8.204 -5.893 -4.278 1.00 0.34 C ATOM 108 N9 DG A 4 6.798 -5.628 -4.637 1.00 0.30 N ATOM 109 C8 DG A 4 6.276 -5.297 -5.859 1.00 0.28 C ATOM 110 N7 DG A 4 4.985 -5.120 -5.852 1.00 0.26 N ATOM 111 C5 DG A 4 4.622 -5.349 -4.530 1.00 0.25 C ATOM 112 C6 DG A 4 3.340 -5.301 -3.919 1.00 0.24 C ATOM 113 O6 DG A 4 2.257 -5.042 -4.440 1.00 0.23 O ATOM 114 N1 DG A 4 3.411 -5.598 -2.565 1.00 0.24 N ATOM 115 C2 DG A 4 4.571 -5.904 -1.881 1.00 0.28 C ATOM 116 N2 DG A 4 4.440 -6.163 -0.581 1.00 0.30 N ATOM 117 N3 DG A 4 5.777 -5.950 -2.455 1.00 0.31 N ATOM 118 C4 DG A 4 5.726 -5.662 -3.777 1.00 0.28 C ATOM 0 H5' DG A 4 10.625 -3.312 -6.113 1.00 0.33 H new ATOM 0 H5'' DG A 4 11.673 -4.650 -6.538 1.00 0.33 H new ATOM 0 H4' DG A 4 11.028 -4.789 -4.231 1.00 0.35 H new ATOM 0 H3' DG A 4 10.843 -6.979 -5.938 1.00 0.35 H new ATOM 0 H2' DG A 4 8.439 -7.096 -6.076 1.00 0.34 H new ATOM 0 H2'' DG A 4 8.680 -7.993 -4.590 1.00 0.34 H new ATOM 0 H1' DG A 4 8.213 -6.174 -3.225 1.00 0.34 H new ATOM 0 H8 DG A 4 6.880 -5.192 -6.748 1.00 0.28 H new ATOM 0 H1 DG A 4 2.540 -5.590 -2.035 1.00 0.24 H new ATOM 0 H21 DG A 4 5.261 -6.396 -0.022 1.00 0.30 H new ATOM 0 H22 DG A 4 3.519 -6.129 -0.145 1.00 0.30 H new ATOM 130 P DI A 5 10.613 -6.623 -2.429 1.00 0.45 P ATOM 131 OP1 DI A 5 10.634 -5.144 -2.459 1.00 0.47 O ATOM 132 OP2 DI A 5 11.460 -7.352 -1.458 1.00 0.52 O ATOM 133 O5' DI A 5 9.090 -7.102 -2.225 1.00 0.42 O ATOM 134 C5' DI A 5 8.789 -8.472 -1.949 1.00 0.44 C ATOM 135 C4' DI A 5 7.291 -8.685 -1.749 1.00 0.41 C ATOM 136 O4' DI A 5 6.588 -8.289 -2.929 1.00 0.42 O ATOM 137 C3' DI A 5 6.905 -10.138 -1.454 1.00 0.42 C ATOM 138 O3' DI A 5 6.189 -10.195 -0.217 1.00 0.43 O ATOM 139 C2' DI A 5 5.986 -10.545 -2.606 1.00 0.40 C ATOM 140 C1' DI A 5 5.516 -9.202 -3.138 1.00 0.40 C ATOM 141 N9 DI A 5 5.198 -9.203 -4.578 1.00 0.43 N ATOM 142 C8 DI A 5 5.886 -9.790 -5.607 1.00 0.56 C ATOM 143 N7 DI A 5 5.345 -9.607 -6.779 1.00 0.58 N ATOM 144 C5 DI A 5 4.216 -8.840 -6.511 1.00 0.45 C ATOM 145 C6 DI A 5 3.231 -8.329 -7.398 1.00 0.42 C ATOM 146 O6 DI A 5 3.162 -8.456 -8.619 1.00 0.48 O ATOM 147 N1 DI A 5 2.265 -7.610 -6.714 1.00 0.33 N ATOM 148 C2 DI A 5 2.254 -7.412 -5.351 1.00 0.29 C ATOM 149 N3 DI A 5 3.162 -7.879 -4.511 1.00 0.29 N ATOM 150 C4 DI A 5 4.117 -8.587 -5.163 1.00 0.37 C ATOM 0 H5'' DI A 5 9.140 -9.096 -2.771 1.00 0.44 H new ATOM 0 H2'' DI A 5 6.516 -11.120 -3.365 1.00 0.40 H new ATOM 0 H8 DI A 5 6.804 -10.359 -5.459 1.00 0.56 H new ATOM 0 H5' DI A 5 9.326 -8.791 -1.055 1.00 0.44 H new ATOM 0 H4' DI A 5 7.021 -8.082 -0.882 1.00 0.41 H new ATOM 0 H3' DI A 5 7.772 -10.793 -1.371 1.00 0.42 H new ATOM 0 H2' DI A 5 5.154 -11.160 -2.264 1.00 0.40 H new ATOM 0 H2 DI A 5 1.435 -6.826 -4.933 1.00 0.29 H new ATOM 0 H1' DI A 5 4.596 -8.938 -2.617 1.00 0.40 H new ATOM 0 H1 DI A 5 1.508 -7.198 -7.259 1.00 0.33 H new ATOM 161 P DA A 6 5.315 -11.493 0.165 1.00 0.39 P ATOM 162 OP1 DA A 6 5.322 -11.639 1.638 1.00 0.48 O ATOM 163 OP2 DA A 6 5.755 -12.617 -0.690 1.00 0.44 O ATOM 164 O5' DA A 6 3.833 -11.061 -0.291 1.00 0.29 O ATOM 165 C5' DA A 6 3.160 -9.985 0.369 1.00 0.24 C ATOM 166 C4' DA A 6 1.782 -9.729 -0.234 1.00 0.19 C ATOM 167 O4' DA A 6 1.910 -9.455 -1.633 1.00 0.21 O ATOM 168 C3' DA A 6 0.820 -10.899 -0.100 1.00 0.16 C ATOM 169 O3' DA A 6 0.045 -10.744 1.093 1.00 0.16 O ATOM 170 C2' DA A 6 -0.071 -10.760 -1.322 1.00 0.26 C ATOM 171 C1' DA A 6 0.883 -10.158 -2.349 1.00 0.25 C ATOM 172 N9 DA A 6 1.545 -11.153 -3.216 1.00 0.24 N ATOM 173 C8 DA A 6 2.325 -12.224 -2.861 1.00 0.24 C ATOM 174 N7 DA A 6 2.772 -12.912 -3.876 1.00 0.28 N ATOM 175 C5 DA A 6 2.252 -12.248 -4.982 1.00 0.29 C ATOM 176 C6 DA A 6 2.359 -12.480 -6.364 1.00 0.35 C ATOM 177 N6 DA A 6 3.057 -13.490 -6.883 1.00 0.40 N ATOM 178 N1 DA A 6 1.719 -11.628 -7.183 1.00 0.42 N ATOM 179 C2 DA A 6 1.025 -10.624 -6.658 1.00 0.44 C ATOM 180 N3 DA A 6 0.851 -10.303 -5.386 1.00 0.38 N ATOM 181 C4 DA A 6 1.504 -11.175 -4.590 1.00 0.29 C ATOM 0 H5' DA A 6 3.763 -9.080 0.297 1.00 0.24 H new ATOM 0 H5'' DA A 6 3.056 -10.216 1.429 1.00 0.24 H new ATOM 0 H4' DA A 6 1.375 -8.886 0.325 1.00 0.19 H new ATOM 0 H3' DA A 6 1.316 -11.868 -0.041 1.00 0.16 H new ATOM 0 H2' DA A 6 -0.467 -11.722 -1.649 1.00 0.26 H new ATOM 0 H2'' DA A 6 -0.926 -10.111 -1.131 1.00 0.26 H new ATOM 0 H1' DA A 6 0.286 -9.516 -2.997 1.00 0.25 H new ATOM 0 H8 DA A 6 2.549 -12.475 -1.835 1.00 0.24 H new ATOM 0 H61 DA A 6 3.102 -13.612 -7.895 1.00 0.40 H new ATOM 0 H62 DA A 6 3.547 -14.140 -6.268 1.00 0.40 H new ATOM 0 H2 DA A 6 0.533 -9.978 -7.370 1.00 0.44 H new ATOM 193 P DG A 7 -1.345 -11.532 1.283 1.00 0.17 P ATOM 194 OP1 DG A 7 -1.493 -11.875 2.715 1.00 0.28 O ATOM 195 OP2 DG A 7 -1.417 -12.597 0.258 1.00 0.22 O ATOM 196 O5' DG A 7 -2.436 -10.407 0.918 1.00 0.23 O ATOM 197 C5' DG A 7 -2.338 -9.098 1.486 1.00 0.26 C ATOM 198 C4' DG A 7 -3.668 -8.352 1.420 1.00 0.24 C ATOM 199 O4' DG A 7 -4.147 -8.338 0.075 1.00 0.26 O ATOM 200 C3' DG A 7 -4.772 -8.983 2.257 1.00 0.23 C ATOM 201 O3' DG A 7 -4.755 -8.454 3.592 1.00 0.30 O ATOM 202 C2' DG A 7 -6.042 -8.552 1.541 1.00 0.24 C ATOM 203 C1' DG A 7 -5.577 -8.473 0.078 1.00 0.23 C ATOM 204 N9 DG A 7 -5.907 -9.672 -0.716 1.00 0.24 N ATOM 205 C8 DG A 7 -5.305 -10.903 -0.701 1.00 0.31 C ATOM 206 N7 DG A 7 -5.835 -11.761 -1.526 1.00 0.39 N ATOM 207 C5 DG A 7 -6.863 -11.049 -2.134 1.00 0.36 C ATOM 208 C6 DG A 7 -7.793 -11.463 -3.127 1.00 0.45 C ATOM 209 O6 DG A 7 -7.890 -12.561 -3.672 1.00 0.54 O ATOM 210 N1 DG A 7 -8.665 -10.437 -3.465 1.00 0.47 N ATOM 211 C2 DG A 7 -8.649 -9.171 -2.920 1.00 0.45 C ATOM 212 N2 DG A 7 -9.569 -8.320 -3.373 1.00 0.57 N ATOM 213 N3 DG A 7 -7.775 -8.780 -1.987 1.00 0.37 N ATOM 214 C4 DG A 7 -6.916 -9.768 -1.644 1.00 0.29 C ATOM 0 H5' DG A 7 -1.575 -8.528 0.957 1.00 0.26 H new ATOM 0 H5'' DG A 7 -2.015 -9.175 2.524 1.00 0.26 H new ATOM 0 H4' DG A 7 -3.457 -7.356 1.809 1.00 0.24 H new ATOM 0 H3' DG A 7 -4.672 -10.064 2.349 1.00 0.23 H new ATOM 0 H2' DG A 7 -6.849 -9.273 1.674 1.00 0.24 H new ATOM 0 H2'' DG A 7 -6.409 -7.592 1.904 1.00 0.24 H new ATOM 0 H1' DG A 7 -6.093 -7.626 -0.375 1.00 0.23 H new ATOM 0 H8 DG A 7 -4.467 -11.141 -0.063 1.00 0.31 H new ATOM 0 H1 DG A 7 -9.373 -10.636 -4.172 1.00 0.47 H new ATOM 0 H21 DG A 7 -9.607 -7.368 -3.008 1.00 0.57 H new ATOM 0 H22 DG A 7 -10.235 -8.620 -4.085 1.00 0.57 H new ATOM 226 P DG A 8 -4.721 -6.865 3.867 1.00 0.37 P ATOM 227 OP1 DG A 8 -5.577 -6.578 5.040 1.00 0.51 O ATOM 228 OP2 DG A 8 -4.963 -6.165 2.586 1.00 0.40 O ATOM 229 O5' DG A 8 -3.187 -6.621 4.292 1.00 0.31 O ATOM 230 C5' DG A 8 -2.648 -7.252 5.457 1.00 0.32 C ATOM 231 C4' DG A 8 -1.166 -6.936 5.631 1.00 0.25 C ATOM 232 O4' DG A 8 -0.446 -7.352 4.461 1.00 0.24 O ATOM 233 C3' DG A 8 -0.868 -5.442 5.836 1.00 0.20 C ATOM 234 O3' DG A 8 0.052 -5.278 6.926 1.00 0.17 O ATOM 235 C2' DG A 8 -0.205 -5.024 4.535 1.00 0.18 C ATOM 236 C1' DG A 8 0.473 -6.316 4.130 1.00 0.20 C ATOM 237 N9 DG A 8 0.795 -6.402 2.694 1.00 0.22 N ATOM 238 C8 DG A 8 1.999 -6.682 2.103 1.00 0.26 C ATOM 239 N7 DG A 8 1.978 -6.617 0.802 1.00 0.27 N ATOM 240 C5 DG A 8 0.664 -6.272 0.506 1.00 0.25 C ATOM 241 C6 DG A 8 0.044 -6.055 -0.754 1.00 0.26 C ATOM 242 O6 DG A 8 0.549 -6.118 -1.873 1.00 0.29 O ATOM 243 N1 DG A 8 -1.298 -5.727 -0.611 1.00 0.26 N ATOM 244 C2 DG A 8 -1.961 -5.617 0.594 1.00 0.24 C ATOM 245 N2 DG A 8 -3.253 -5.295 0.529 1.00 0.25 N ATOM 246 N3 DG A 8 -1.378 -5.818 1.780 1.00 0.21 N ATOM 247 C4 DG A 8 -0.070 -6.141 1.658 1.00 0.22 C ATOM 0 H5' DG A 8 -2.784 -8.331 5.383 1.00 0.32 H new ATOM 0 H5'' DG A 8 -3.197 -6.921 6.338 1.00 0.32 H new ATOM 0 H4' DG A 8 -0.855 -7.471 6.528 1.00 0.25 H new ATOM 0 H3' DG A 8 -1.757 -4.856 6.068 1.00 0.20 H new ATOM 0 H2' DG A 8 -0.929 -4.687 3.793 1.00 0.18 H new ATOM 0 H2'' DG A 8 0.507 -4.211 4.677 1.00 0.18 H new ATOM 0 H1' DG A 8 1.429 -6.390 4.648 1.00 0.20 H new ATOM 0 H8 DG A 8 2.886 -6.934 2.665 1.00 0.26 H new ATOM 0 H1 DG A 8 -1.834 -5.554 -1.461 1.00 0.26 H new ATOM 0 H21 DG A 8 -3.798 -5.199 1.386 1.00 0.25 H new ATOM 0 H22 DG A 8 -3.696 -5.145 -0.377 1.00 0.25 H new ATOM 259 P DG A 9 0.363 -3.815 7.532 1.00 0.17 P ATOM 260 OP1 DG A 9 0.176 -3.874 8.999 1.00 0.22 O ATOM 261 OP2 DG A 9 -0.383 -2.813 6.738 1.00 0.23 O ATOM 262 O5' DG A 9 1.938 -3.623 7.236 1.00 0.19 O ATOM 263 C5' DG A 9 2.437 -3.641 5.895 1.00 0.10 C ATOM 264 C4' DG A 9 3.936 -3.363 5.837 1.00 0.12 C ATOM 265 O4' DG A 9 4.428 -3.689 4.532 1.00 0.15 O ATOM 266 C3' DG A 9 4.298 -1.906 6.096 1.00 0.13 C ATOM 267 O3' DG A 9 5.577 -1.830 6.738 1.00 0.18 O ATOM 268 C2' DG A 9 4.386 -1.321 4.698 1.00 0.12 C ATOM 269 C1' DG A 9 4.941 -2.503 3.917 1.00 0.13 C ATOM 270 N9 DG A 9 4.545 -2.521 2.495 1.00 0.16 N ATOM 271 C8 DG A 9 5.347 -2.585 1.385 1.00 0.24 C ATOM 272 N7 DG A 9 4.692 -2.560 0.258 1.00 0.27 N ATOM 273 C5 DG A 9 3.359 -2.474 0.646 1.00 0.21 C ATOM 274 C6 DG A 9 2.182 -2.414 -0.150 1.00 0.22 C ATOM 275 O6 DG A 9 2.090 -2.420 -1.376 1.00 0.28 O ATOM 276 N1 DG A 9 1.040 -2.337 0.634 1.00 0.19 N ATOM 277 C2 DG A 9 1.026 -2.321 2.013 1.00 0.16 C ATOM 278 N2 DG A 9 -0.175 -2.244 2.589 1.00 0.22 N ATOM 279 N3 DG A 9 2.132 -2.376 2.765 1.00 0.13 N ATOM 280 C4 DG A 9 3.258 -2.452 2.015 1.00 0.15 C ATOM 0 H5' DG A 9 1.907 -2.896 5.301 1.00 0.10 H new ATOM 0 H5'' DG A 9 2.231 -4.612 5.445 1.00 0.10 H new ATOM 0 H4' DG A 9 4.384 -3.973 6.622 1.00 0.12 H new ATOM 0 H3' DG A 9 3.586 -1.388 6.739 1.00 0.13 H new ATOM 0 H2' DG A 9 3.414 -1.001 4.324 1.00 0.12 H new ATOM 0 H2'' DG A 9 5.045 -0.454 4.656 1.00 0.12 H new ATOM 0 H1' DG A 9 6.029 -2.433 3.939 1.00 0.13 H new ATOM 0 H8 DG A 9 6.424 -2.650 1.439 1.00 0.24 H new ATOM 0 H1 DG A 9 0.142 -2.288 0.154 1.00 0.19 H new ATOM 0 H21 DG A 9 -0.253 -2.228 3.606 1.00 0.22 H new ATOM 0 H22 DG A 9 -1.015 -2.201 2.012 1.00 0.22 H new ATOM 292 P DG A 10 6.203 -0.402 7.141 1.00 0.25 P ATOM 293 OP1 DG A 10 7.334 -0.634 8.068 1.00 0.33 O ATOM 294 OP2 DG A 10 5.094 0.493 7.541 1.00 0.28 O ATOM 295 O5' DG A 10 6.801 0.132 5.744 1.00 0.26 O ATOM 296 C5' DG A 10 8.067 -0.334 5.266 1.00 0.27 C ATOM 297 C4' DG A 10 8.552 0.488 4.076 1.00 0.26 C ATOM 298 O4' DG A 10 7.627 0.351 2.990 1.00 0.23 O ATOM 299 C3' DG A 10 8.682 1.984 4.374 1.00 0.28 C ATOM 300 O3' DG A 10 9.878 2.496 3.776 1.00 0.32 O ATOM 301 C2' DG A 10 7.468 2.594 3.693 1.00 0.23 C ATOM 302 C1' DG A 10 7.293 1.654 2.515 1.00 0.19 C ATOM 303 N9 DG A 10 5.920 1.608 1.983 1.00 0.15 N ATOM 304 C8 DG A 10 4.738 1.549 2.673 1.00 0.15 C ATOM 305 N7 DG A 10 3.682 1.538 1.912 1.00 0.14 N ATOM 306 C5 DG A 10 4.198 1.596 0.622 1.00 0.13 C ATOM 307 C6 DG A 10 3.521 1.616 -0.627 1.00 0.15 C ATOM 308 O6 DG A 10 2.311 1.587 -0.840 1.00 0.20 O ATOM 309 N1 DG A 10 4.414 1.680 -1.687 1.00 0.15 N ATOM 310 C2 DG A 10 5.787 1.720 -1.565 1.00 0.15 C ATOM 311 N2 DG A 10 6.480 1.782 -2.702 1.00 0.18 N ATOM 312 N3 DG A 10 6.425 1.701 -0.390 1.00 0.15 N ATOM 313 C4 DG A 10 5.568 1.639 0.656 1.00 0.13 C ATOM 0 H5' DG A 10 7.985 -1.382 4.977 1.00 0.27 H new ATOM 0 H5'' DG A 10 8.802 -0.282 6.069 1.00 0.27 H new ATOM 0 H4' DG A 10 9.542 0.102 3.832 1.00 0.26 H new ATOM 0 H3' DG A 10 8.731 2.203 5.441 1.00 0.28 H new ATOM 0 H2' DG A 10 6.594 2.607 4.344 1.00 0.23 H new ATOM 0 H2'' DG A 10 7.646 3.622 3.377 1.00 0.23 H new ATOM 0 H1' DG A 10 7.926 2.007 1.701 1.00 0.19 H new ATOM 0 H8 DG A 10 4.687 1.515 3.751 1.00 0.15 H new ATOM 0 H1 DG A 10 4.025 1.699 -2.630 1.00 0.15 H new ATOM 0 H21 DG A 10 7.499 1.814 -2.677 1.00 0.18 H new ATOM 0 H22 DG A 10 5.991 1.797 -3.597 1.00 0.18 H new ATOM 325 P DC A 11 10.680 3.712 4.463 1.00 0.39 P ATOM 326 OP1 DC A 11 11.811 4.077 3.580 1.00 0.52 O ATOM 327 OP2 DC A 11 10.935 3.358 5.878 1.00 0.54 O ATOM 328 O5' DC A 11 9.608 4.916 4.431 1.00 0.32 O ATOM 329 C5' DC A 11 9.710 5.999 5.361 1.00 0.38 C ATOM 330 C4' DC A 11 8.607 7.035 5.152 1.00 0.36 C ATOM 331 O4' DC A 11 8.785 7.698 3.913 1.00 0.32 O ATOM 332 C3' DC A 11 7.200 6.454 5.103 1.00 0.38 C ATOM 333 O3' DC A 11 6.620 6.495 6.412 1.00 0.46 O ATOM 334 C2' DC A 11 6.434 7.397 4.166 1.00 0.38 C ATOM 335 C1' DC A 11 7.532 8.290 3.577 1.00 0.35 C ATOM 336 N1 DC A 11 7.477 8.425 2.108 1.00 0.39 N ATOM 337 C2 DC A 11 6.882 9.565 1.595 1.00 0.59 C ATOM 338 O2 DC A 11 6.426 10.416 2.355 1.00 0.71 O ATOM 339 N3 DC A 11 6.822 9.710 0.243 1.00 0.74 N ATOM 340 C4 DC A 11 7.324 8.773 -0.572 1.00 0.75 C ATOM 341 N4 DC A 11 7.247 8.944 -1.892 1.00 0.96 N ATOM 342 C5 DC A 11 7.939 7.593 -0.046 1.00 0.61 C ATOM 343 C6 DC A 11 7.994 7.461 1.293 1.00 0.41 C ATOM 0 H5' DC A 11 10.683 6.478 5.255 1.00 0.38 H new ATOM 0 H5'' DC A 11 9.655 5.611 6.378 1.00 0.38 H new ATOM 0 H4' DC A 11 8.692 7.697 6.014 1.00 0.36 H new ATOM 0 H3' DC A 11 7.180 5.418 4.764 1.00 0.38 H new ATOM 0 H2' DC A 11 5.905 6.847 3.388 1.00 0.38 H new ATOM 0 H2'' DC A 11 5.689 7.981 4.706 1.00 0.38 H new ATOM 0 H1' DC A 11 7.394 9.289 3.991 1.00 0.35 H new ATOM 0 H41 DC A 11 7.626 8.236 -2.521 1.00 0.96 H new ATOM 0 H42 DC A 11 6.809 9.783 -2.273 1.00 0.96 H new ATOM 0 H5 DC A 11 8.345 6.835 -0.700 1.00 0.61 H new ATOM 0 H6 DC A 11 8.452 6.584 1.726 1.00 0.41 H new ATOM 355 P DT A 12 5.846 5.209 6.997 1.00 0.50 P ATOM 356 OP1 DT A 12 5.502 5.478 8.411 1.00 0.62 O ATOM 357 OP2 DT A 12 6.622 4.000 6.643 1.00 0.52 O ATOM 358 O5' DT A 12 4.481 5.199 6.141 1.00 0.43 O ATOM 359 C5' DT A 12 3.300 5.822 6.651 1.00 0.44 C ATOM 360 C4' DT A 12 2.084 5.515 5.782 1.00 0.37 C ATOM 361 O4' DT A 12 2.233 6.128 4.507 1.00 0.36 O ATOM 362 C3' DT A 12 1.867 4.023 5.522 1.00 0.31 C ATOM 363 O3' DT A 12 0.742 3.563 6.278 1.00 0.30 O ATOM 364 C2' DT A 12 1.558 3.920 4.023 1.00 0.25 C ATOM 365 C1' DT A 12 1.446 5.379 3.593 1.00 0.29 C ATOM 366 N1 DT A 12 1.952 5.648 2.233 1.00 0.26 N ATOM 367 C2 DT A 12 1.085 6.242 1.333 1.00 0.26 C ATOM 368 O2 DT A 12 -0.072 6.535 1.627 1.00 0.30 O ATOM 369 N3 DT A 12 1.591 6.475 0.072 1.00 0.23 N ATOM 370 C4 DT A 12 2.866 6.173 -0.366 1.00 0.20 C ATOM 371 O4 DT A 12 3.209 6.425 -1.519 1.00 0.21 O ATOM 372 C5 DT A 12 3.699 5.555 0.635 1.00 0.20 C ATOM 373 C7 DT A 12 5.125 5.159 0.273 1.00 0.17 C ATOM 374 C6 DT A 12 3.233 5.316 1.879 1.00 0.24 C ATOM 0 H5' DT A 12 3.449 6.901 6.701 1.00 0.44 H new ATOM 0 H5'' DT A 12 3.117 5.478 7.669 1.00 0.44 H new ATOM 0 H4' DT A 12 1.231 5.900 6.340 1.00 0.37 H new ATOM 0 H3' DT A 12 2.731 3.423 5.807 1.00 0.31 H new ATOM 0 H2' DT A 12 2.349 3.400 3.483 1.00 0.25 H new ATOM 0 H2'' DT A 12 0.633 3.373 3.838 1.00 0.25 H new ATOM 0 H1' DT A 12 0.390 5.648 3.588 1.00 0.29 H new ATOM 0 H3 DT A 12 0.964 6.913 -0.603 1.00 0.23 H new ATOM 0 H71 DT A 12 5.756 5.220 1.160 1.00 0.17 H new ATOM 0 H72 DT A 12 5.133 4.138 -0.109 1.00 0.17 H new ATOM 0 H73 DT A 12 5.508 5.835 -0.491 1.00 0.17 H new ATOM 0 H6 DT A 12 3.882 4.855 2.609 1.00 0.24 H new ATOM 387 P DG A 13 0.369 1.997 6.311 1.00 0.27 P ATOM 388 OP1 DG A 13 0.356 1.551 7.722 1.00 0.33 O ATOM 389 OP2 DG A 13 1.223 1.297 5.325 1.00 0.27 O ATOM 390 O5' DG A 13 -1.145 1.981 5.765 1.00 0.24 O ATOM 391 C5' DG A 13 -2.222 2.421 6.597 1.00 0.25 C ATOM 392 C4' DG A 13 -3.565 1.908 6.087 1.00 0.21 C ATOM 393 O4' DG A 13 -3.809 2.418 4.767 1.00 0.22 O ATOM 394 C3' DG A 13 -3.647 0.381 5.993 1.00 0.19 C ATOM 395 O3' DG A 13 -4.957 -0.049 6.387 1.00 0.19 O ATOM 396 C2' DG A 13 -3.432 0.115 4.514 1.00 0.17 C ATOM 397 C1' DG A 13 -4.144 1.316 3.924 1.00 0.19 C ATOM 398 N9 DG A 13 -3.754 1.654 2.540 1.00 0.20 N ATOM 399 C8 DG A 13 -4.566 1.939 1.474 1.00 0.26 C ATOM 400 N7 DG A 13 -3.922 2.177 0.367 1.00 0.27 N ATOM 401 C5 DG A 13 -2.585 2.042 0.721 1.00 0.21 C ATOM 402 C6 DG A 13 -1.417 2.184 -0.075 1.00 0.21 C ATOM 403 O6 DG A 13 -1.337 2.462 -1.270 1.00 0.25 O ATOM 404 N1 DG A 13 -0.265 1.964 0.669 1.00 0.19 N ATOM 405 C2 DG A 13 -0.239 1.644 2.010 1.00 0.17 C ATOM 406 N2 DG A 13 0.965 1.469 2.553 1.00 0.20 N ATOM 407 N3 DG A 13 -1.337 1.509 2.759 1.00 0.16 N ATOM 408 C4 DG A 13 -2.471 1.721 2.051 1.00 0.18 C ATOM 0 H5' DG A 13 -2.236 3.510 6.631 1.00 0.25 H new ATOM 0 H5'' DG A 13 -2.061 2.073 7.617 1.00 0.25 H new ATOM 0 H4' DG A 13 -4.303 2.251 6.813 1.00 0.21 H new ATOM 0 H3' DG A 13 -2.931 -0.139 6.629 1.00 0.19 H new ATOM 0 H2' DG A 13 -2.376 0.083 4.246 1.00 0.17 H new ATOM 0 H2'' DG A 13 -3.871 -0.829 4.192 1.00 0.17 H new ATOM 0 H1' DG A 13 -5.209 1.087 3.877 1.00 0.19 H new ATOM 0 H8 DG A 13 -5.643 1.964 1.545 1.00 0.26 H new ATOM 0 H1 DG A 13 0.630 2.045 0.187 1.00 0.19 H new ATOM 0 H21 DG A 13 1.049 1.231 3.541 1.00 0.20 H new ATOM 0 H22 DG A 13 1.803 1.573 1.980 1.00 0.20 H new ATOM 420 P DG A 14 -5.427 -1.576 6.174 1.00 0.19 P ATOM 421 OP1 DG A 14 -6.508 -1.870 7.141 1.00 0.27 O ATOM 422 OP2 DG A 14 -4.220 -2.432 6.137 1.00 0.23 O ATOM 423 O5' DG A 14 -6.069 -1.548 4.696 1.00 0.20 O ATOM 424 C5' DG A 14 -7.381 -1.015 4.480 1.00 0.24 C ATOM 425 C4' DG A 14 -7.856 -1.247 3.048 1.00 0.23 C ATOM 426 O4' DG A 14 -6.819 -0.871 2.129 1.00 0.22 O ATOM 427 C3' DG A 14 -8.210 -2.701 2.740 1.00 0.23 C ATOM 428 O3' DG A 14 -9.308 -2.733 1.818 1.00 0.26 O ATOM 429 C2' DG A 14 -6.953 -3.229 2.074 1.00 0.20 C ATOM 430 C1' DG A 14 -6.519 -1.998 1.299 1.00 0.19 C ATOM 431 N9 DG A 14 -5.082 -1.959 0.980 1.00 0.17 N ATOM 432 C8 DG A 14 -4.014 -2.167 1.811 1.00 0.16 C ATOM 433 N7 DG A 14 -2.854 -2.072 1.219 1.00 0.15 N ATOM 434 C5 DG A 14 -3.179 -1.778 -0.103 1.00 0.13 C ATOM 435 C6 DG A 14 -2.332 -1.561 -1.224 1.00 0.13 C ATOM 436 O6 DG A 14 -1.104 -1.585 -1.268 1.00 0.16 O ATOM 437 N1 DG A 14 -3.065 -1.293 -2.374 1.00 0.14 N ATOM 438 C2 DG A 14 -4.442 -1.240 -2.439 1.00 0.13 C ATOM 439 N2 DG A 14 -4.967 -0.969 -3.634 1.00 0.15 N ATOM 440 N3 DG A 14 -5.239 -1.444 -1.386 1.00 0.14 N ATOM 441 C4 DG A 14 -4.541 -1.706 -0.257 1.00 0.14 C ATOM 0 H5' DG A 14 -7.379 0.054 4.694 1.00 0.24 H new ATOM 0 H5'' DG A 14 -8.081 -1.478 5.175 1.00 0.24 H new ATOM 0 H4' DG A 14 -8.757 -0.643 2.940 1.00 0.23 H new ATOM 0 H3' DG A 14 -8.503 -3.280 3.616 1.00 0.23 H new ATOM 0 H2' DG A 14 -6.203 -3.550 2.797 1.00 0.20 H new ATOM 0 H2'' DG A 14 -7.154 -4.080 1.423 1.00 0.20 H new ATOM 0 H1' DG A 14 -7.044 -2.001 0.344 1.00 0.19 H new ATOM 0 H8 DG A 14 -4.121 -2.390 2.862 1.00 0.16 H new ATOM 0 H1 DG A 14 -2.546 -1.123 -3.235 1.00 0.14 H new ATOM 0 H21 DG A 14 -5.979 -0.916 -3.746 1.00 0.15 H new ATOM 0 H22 DG A 14 -4.356 -0.814 -4.436 1.00 0.15 H new ATOM 453 P DG A 15 -9.852 -4.130 1.227 1.00 0.27 P ATOM 454 OP1 DG A 15 -11.319 -4.175 1.418 1.00 0.30 O ATOM 455 OP2 DG A 15 -9.004 -5.219 1.762 1.00 0.26 O ATOM 456 O5' DG A 15 -9.552 -3.987 -0.350 1.00 0.33 O ATOM 457 C5' DG A 15 -10.357 -3.138 -1.178 1.00 0.30 C ATOM 458 C4' DG A 15 -9.855 -3.133 -2.619 1.00 0.18 C ATOM 459 O4' DG A 15 -8.438 -2.943 -2.628 1.00 0.23 O ATOM 460 C3' DG A 15 -10.146 -4.429 -3.380 1.00 0.16 C ATOM 461 O3' DG A 15 -10.844 -4.118 -4.594 1.00 0.18 O ATOM 462 C2' DG A 15 -8.774 -5.014 -3.703 1.00 0.17 C ATOM 463 C1' DG A 15 -7.877 -3.792 -3.623 1.00 0.16 C ATOM 464 N9 DG A 15 -6.485 -4.089 -3.232 1.00 0.18 N ATOM 465 C8 DG A 15 -6.003 -4.474 -2.009 1.00 0.23 C ATOM 466 N7 DG A 15 -4.712 -4.654 -1.982 1.00 0.25 N ATOM 467 C5 DG A 15 -4.307 -4.368 -3.281 1.00 0.21 C ATOM 468 C6 DG A 15 -3.007 -4.391 -3.855 1.00 0.23 C ATOM 469 O6 DG A 15 -1.940 -4.678 -3.315 1.00 0.26 O ATOM 470 N1 DG A 15 -3.036 -4.035 -5.197 1.00 0.22 N ATOM 471 C2 DG A 15 -4.173 -3.699 -5.902 1.00 0.20 C ATOM 472 N2 DG A 15 -4.001 -3.388 -7.186 1.00 0.23 N ATOM 473 N3 DG A 15 -5.396 -3.676 -5.364 1.00 0.17 N ATOM 474 C4 DG A 15 -5.387 -4.020 -4.055 1.00 0.18 C ATOM 0 H5' DG A 15 -10.344 -2.122 -0.783 1.00 0.30 H new ATOM 0 H5'' DG A 15 -11.393 -3.477 -1.152 1.00 0.30 H new ATOM 0 H4' DG A 15 -10.388 -2.323 -3.117 1.00 0.18 H new ATOM 0 H3' DG A 15 -10.761 -5.123 -2.807 1.00 0.16 H new ATOM 0 H2' DG A 15 -8.480 -5.782 -2.988 1.00 0.17 H new ATOM 0 H2'' DG A 15 -8.750 -5.473 -4.691 1.00 0.17 H new ATOM 0 H1' DG A 15 -7.831 -3.345 -4.616 1.00 0.16 H new ATOM 0 H8 DG A 15 -6.635 -4.616 -1.145 1.00 0.23 H new ATOM 0 H1 DG A 15 -2.149 -4.021 -5.700 1.00 0.22 H new ATOM 0 H21 DG A 15 -4.804 -3.131 -7.760 1.00 0.23 H new ATOM 0 H22 DG A 15 -3.067 -3.407 -7.595 1.00 0.23 H new ATOM 486 P DA A 16 -10.292 -2.988 -5.602 1.00 0.22 P ATOM 487 OP1 DA A 16 -11.246 -2.871 -6.727 1.00 0.31 O ATOM 488 OP2 DA A 16 -8.865 -3.263 -5.876 1.00 0.24 O ATOM 489 O5' DA A 16 -10.390 -1.642 -4.721 1.00 0.20 O ATOM 490 C5' DA A 16 -11.519 -0.772 -4.849 1.00 0.24 C ATOM 491 C4' DA A 16 -11.289 0.562 -4.142 1.00 0.24 C ATOM 492 O4' DA A 16 -12.372 1.446 -4.430 1.00 0.29 O ATOM 493 C3' DA A 16 -11.184 0.450 -2.617 1.00 0.34 C ATOM 494 O3' DA A 16 -9.903 0.930 -2.188 1.00 0.34 O ATOM 495 C2' DA A 16 -12.290 1.355 -2.071 1.00 0.41 C ATOM 496 C1' DA A 16 -12.635 2.227 -3.269 1.00 0.34 C ATOM 497 N9 DA A 16 -14.049 2.647 -3.323 1.00 0.44 N ATOM 498 C8 DA A 16 -15.175 1.918 -3.040 1.00 0.54 C ATOM 499 N7 DA A 16 -16.286 2.584 -3.189 1.00 0.63 N ATOM 500 C5 DA A 16 -15.866 3.845 -3.601 1.00 0.59 C ATOM 501 C6 DA A 16 -16.565 5.019 -3.928 1.00 0.68 C ATOM 502 N6 DA A 16 -17.895 5.111 -3.889 1.00 0.81 N ATOM 503 N1 DA A 16 -15.838 6.088 -4.296 1.00 0.64 N ATOM 504 C2 DA A 16 -14.515 5.988 -4.332 1.00 0.52 C ATOM 505 N3 DA A 16 -13.746 4.947 -4.049 1.00 0.43 N ATOM 506 C4 DA A 16 -14.505 3.892 -3.684 1.00 0.48 C ATOM 0 H5' DA A 16 -12.401 -1.257 -4.432 1.00 0.24 H new ATOM 0 H5'' DA A 16 -11.723 -0.594 -5.905 1.00 0.24 H new ATOM 0 H4' DA A 16 -10.335 0.933 -4.517 1.00 0.24 H new ATOM 0 H3' DA A 16 -11.289 -0.577 -2.269 1.00 0.34 H new ATOM 0 H2' DA A 16 -13.150 0.780 -1.728 1.00 0.41 H new ATOM 0 H2'' DA A 16 -11.945 1.949 -1.224 1.00 0.41 H new ATOM 0 H1' DA A 16 -12.040 3.138 -3.199 1.00 0.34 H new ATOM 0 H8 DA A 16 -15.145 0.886 -2.723 1.00 0.54 H new ATOM 0 H61 DA A 16 -18.353 5.988 -4.137 1.00 0.81 H new ATOM 0 H62 DA A 16 -18.454 4.304 -3.612 1.00 0.81 H new ATOM 0 H2 DA A 16 -13.991 6.882 -4.635 1.00 0.52 H new ATOM 518 P DG A 17 -9.454 2.458 -2.442 1.00 0.31 P ATOM 519 OP1 DG A 17 -8.204 2.702 -1.688 1.00 0.38 O ATOM 520 OP2 DG A 17 -10.627 3.331 -2.223 1.00 0.31 O ATOM 521 O5' DG A 17 -9.101 2.473 -4.014 1.00 0.26 O ATOM 522 C5' DG A 17 -9.602 3.512 -4.859 1.00 0.22 C ATOM 523 C4' DG A 17 -8.853 3.572 -6.189 1.00 0.15 C ATOM 524 O4' DG A 17 -7.484 3.905 -5.962 1.00 0.20 O ATOM 525 C3' DG A 17 -8.868 2.255 -6.975 1.00 0.14 C ATOM 526 O3' DG A 17 -9.511 2.462 -8.237 1.00 0.12 O ATOM 527 C2' DG A 17 -7.392 1.913 -7.196 1.00 0.16 C ATOM 528 C1' DG A 17 -6.720 3.255 -6.968 1.00 0.17 C ATOM 529 N9 DG A 17 -5.325 3.163 -6.497 1.00 0.19 N ATOM 530 C8 DG A 17 -4.168 3.229 -7.228 1.00 0.20 C ATOM 531 N7 DG A 17 -3.083 3.101 -6.515 1.00 0.22 N ATOM 532 C5 DG A 17 -3.555 2.939 -5.215 1.00 0.22 C ATOM 533 C6 DG A 17 -2.837 2.754 -4.003 1.00 0.25 C ATOM 534 O6 DG A 17 -1.621 2.695 -3.838 1.00 0.28 O ATOM 535 N1 DG A 17 -3.694 2.632 -2.918 1.00 0.28 N ATOM 536 C2 DG A 17 -5.071 2.682 -2.987 1.00 0.27 C ATOM 537 N2 DG A 17 -5.729 2.547 -1.836 1.00 0.31 N ATOM 538 N3 DG A 17 -5.747 2.856 -4.127 1.00 0.24 N ATOM 539 C4 DG A 17 -4.927 2.976 -5.196 1.00 0.21 C ATOM 0 H5' DG A 17 -9.513 4.471 -4.348 1.00 0.22 H new ATOM 0 H5'' DG A 17 -10.663 3.348 -5.046 1.00 0.22 H new ATOM 0 H4' DG A 17 -9.375 4.327 -6.777 1.00 0.15 H new ATOM 0 H3' DG A 17 -9.402 1.461 -6.452 1.00 0.14 H new ATOM 0 H2' DG A 17 -7.039 1.156 -6.496 1.00 0.16 H new ATOM 0 H2'' DG A 17 -7.208 1.530 -8.200 1.00 0.16 H new ATOM 0 H1' DG A 17 -6.682 3.785 -7.920 1.00 0.17 H new ATOM 0 H8 DG A 17 -4.155 3.374 -8.298 1.00 0.20 H new ATOM 0 H1 DG A 17 -3.273 2.495 -1.999 1.00 0.28 H new ATOM 0 H21 DG A 17 -6.749 2.576 -1.825 1.00 0.31 H new ATOM 0 H22 DG A 17 -5.213 2.415 -0.966 1.00 0.31 H new ATOM 551 P DG A 18 -9.595 1.269 -9.313 1.00 0.13 P ATOM 552 OP1 DG A 18 -10.607 1.629 -10.331 1.00 0.15 O ATOM 553 OP2 DG A 18 -9.712 -0.010 -8.578 1.00 0.16 O ATOM 554 O5' DG A 18 -8.144 1.320 -10.006 1.00 0.17 O ATOM 555 C5' DG A 18 -7.639 0.185 -10.712 1.00 0.22 C ATOM 556 C4' DG A 18 -6.202 0.400 -11.173 1.00 0.18 C ATOM 557 O4' DG A 18 -5.376 0.707 -10.045 1.00 0.19 O ATOM 558 C3' DG A 18 -5.595 -0.819 -11.865 1.00 0.18 C ATOM 559 O3' DG A 18 -4.892 -0.403 -13.040 1.00 0.20 O ATOM 560 C2' DG A 18 -4.619 -1.385 -10.846 1.00 0.17 C ATOM 561 C1' DG A 18 -4.228 -0.142 -10.066 1.00 0.18 C ATOM 562 N9 DG A 18 -3.848 -0.405 -8.667 1.00 0.18 N ATOM 563 C8 DG A 18 -4.663 -0.546 -7.576 1.00 0.18 C ATOM 564 N7 DG A 18 -4.023 -0.767 -6.462 1.00 0.19 N ATOM 565 C5 DG A 18 -2.684 -0.775 -6.841 1.00 0.18 C ATOM 566 C6 DG A 18 -1.516 -0.971 -6.055 1.00 0.19 C ATOM 567 O6 DG A 18 -1.437 -1.178 -4.846 1.00 0.21 O ATOM 568 N1 DG A 18 -0.365 -0.903 -6.827 1.00 0.19 N ATOM 569 C2 DG A 18 -0.337 -0.677 -8.188 1.00 0.19 C ATOM 570 N2 DG A 18 0.868 -0.648 -8.757 1.00 0.20 N ATOM 571 N3 DG A 18 -1.434 -0.491 -8.929 1.00 0.18 N ATOM 572 C4 DG A 18 -2.567 -0.554 -8.191 1.00 0.17 C ATOM 0 H5' DG A 18 -8.272 -0.017 -11.576 1.00 0.22 H new ATOM 0 H5'' DG A 18 -7.687 -0.694 -10.069 1.00 0.22 H new ATOM 0 H4' DG A 18 -6.238 1.218 -11.893 1.00 0.18 H new ATOM 0 H3' DG A 18 -6.344 -1.548 -12.173 1.00 0.18 H new ATOM 0 H2' DG A 18 -5.084 -2.138 -10.209 1.00 0.17 H new ATOM 0 H2'' DG A 18 -3.759 -1.857 -11.322 1.00 0.17 H new ATOM 0 H1' DG A 18 -3.357 0.294 -10.555 1.00 0.18 H new ATOM 0 H8 DG A 18 -5.739 -0.480 -7.633 1.00 0.18 H new ATOM 0 H1 DG A 18 0.529 -1.030 -6.352 1.00 0.19 H new ATOM 0 H21 DG A 18 0.955 -0.485 -9.760 1.00 0.20 H new ATOM 0 H22 DG A 18 1.704 -0.789 -8.189 1.00 0.20 H new ATOM 584 P DG A 19 -4.437 -1.487 -14.141 1.00 0.24 P ATOM 585 OP1 DG A 19 -4.368 -0.812 -15.455 1.00 0.30 O ATOM 586 OP2 DG A 19 -5.277 -2.693 -13.975 1.00 0.29 O ATOM 587 O5' DG A 19 -2.938 -1.852 -13.682 1.00 0.27 O ATOM 588 C5' DG A 19 -1.832 -1.062 -14.125 1.00 0.37 C ATOM 589 C4' DG A 19 -0.499 -1.699 -13.743 1.00 0.39 C ATOM 590 O4' DG A 19 -0.372 -1.728 -12.319 1.00 0.31 O ATOM 591 C3' DG A 19 -0.337 -3.138 -14.246 1.00 0.42 C ATOM 592 O3' DG A 19 0.884 -3.250 -14.990 1.00 0.54 O ATOM 593 C2' DG A 19 -0.257 -3.985 -12.979 1.00 0.34 C ATOM 594 C1' DG A 19 0.210 -2.972 -11.949 1.00 0.28 C ATOM 595 N9 DG A 19 -0.210 -3.273 -10.567 1.00 0.21 N ATOM 596 C8 DG A 19 -1.473 -3.281 -10.037 1.00 0.20 C ATOM 597 N7 DG A 19 -1.513 -3.579 -8.769 1.00 0.21 N ATOM 598 C5 DG A 19 -0.179 -3.785 -8.432 1.00 0.20 C ATOM 599 C6 DG A 19 0.402 -4.138 -7.183 1.00 0.26 C ATOM 600 O6 DG A 19 -0.163 -4.339 -6.109 1.00 0.33 O ATOM 601 N1 DG A 19 1.783 -4.245 -7.276 1.00 0.27 N ATOM 602 C2 DG A 19 2.517 -4.041 -8.427 1.00 0.24 C ATOM 603 N2 DG A 19 3.836 -4.191 -8.323 1.00 0.29 N ATOM 604 N3 DG A 19 1.973 -3.709 -9.601 1.00 0.22 N ATOM 605 C4 DG A 19 0.626 -3.599 -9.528 1.00 0.19 C ATOM 0 H5' DG A 19 -1.898 -0.065 -13.689 1.00 0.37 H new ATOM 0 H5'' DG A 19 -1.881 -0.940 -15.207 1.00 0.37 H new ATOM 0 H4' DG A 19 0.269 -1.086 -14.215 1.00 0.39 H new ATOM 0 H3' DG A 19 -1.152 -3.450 -14.899 1.00 0.42 H new ATOM 0 H2' DG A 19 -1.222 -4.418 -12.716 1.00 0.34 H new ATOM 0 H2'' DG A 19 0.445 -4.812 -13.085 1.00 0.34 H new ATOM 0 H1' DG A 19 1.300 -2.976 -11.947 1.00 0.28 H new ATOM 0 H8 DG A 19 -2.356 -3.060 -10.618 1.00 0.20 H new ATOM 0 H1 DG A 19 2.294 -4.493 -6.429 1.00 0.27 H new ATOM 0 H21 DG A 19 4.431 -4.053 -9.140 1.00 0.29 H new ATOM 0 H22 DG A 19 4.251 -4.444 -7.426 1.00 0.29 H new ATOM 617 P DC A 20 2.312 -3.040 -14.274 1.00 0.54 P ATOM 618 OP1 DC A 20 2.185 -1.929 -13.305 1.00 0.48 O ATOM 619 OP2 DC A 20 3.353 -2.991 -15.324 1.00 0.66 O ATOM 620 O5' DC A 20 2.492 -4.410 -13.448 1.00 0.50 O ATOM 621 C5' DC A 20 3.497 -4.527 -12.439 1.00 0.49 C ATOM 622 C4' DC A 20 3.320 -5.804 -11.620 1.00 0.48 C ATOM 623 O4' DC A 20 2.043 -5.817 -11.008 1.00 0.49 O ATOM 624 C3' DC A 20 3.390 -7.084 -12.437 1.00 0.49 C ATOM 625 O3' DC A 20 4.739 -7.549 -12.568 1.00 0.51 O ATOM 626 C2' DC A 20 2.535 -8.070 -11.634 1.00 0.49 C ATOM 627 C1' DC A 20 1.752 -7.171 -10.668 1.00 0.50 C ATOM 628 N1 DC A 20 0.288 -7.347 -10.728 1.00 0.50 N ATOM 629 C2 DC A 20 -0.382 -7.521 -9.527 1.00 0.59 C ATOM 630 O2 DC A 20 0.244 -7.525 -8.469 1.00 0.67 O ATOM 631 N3 DC A 20 -1.733 -7.686 -9.558 1.00 0.62 N ATOM 632 C4 DC A 20 -2.400 -7.679 -10.719 1.00 0.57 C ATOM 633 N4 DC A 20 -3.724 -7.843 -10.713 1.00 0.63 N ATOM 634 C5 DC A 20 -1.715 -7.500 -11.961 1.00 0.49 C ATOM 635 C6 DC A 20 -0.378 -7.337 -11.921 1.00 0.45 C ATOM 0 H5' DC A 20 3.454 -3.661 -11.779 1.00 0.49 H new ATOM 0 H5'' DC A 20 4.483 -4.525 -12.904 1.00 0.49 H new ATOM 0 H4' DC A 20 4.143 -5.787 -10.906 1.00 0.48 H new ATOM 0 H3' DC A 20 3.035 -6.951 -13.459 1.00 0.49 H new ATOM 0 H2' DC A 20 1.868 -8.640 -12.281 1.00 0.49 H new ATOM 0 H2'' DC A 20 3.152 -8.791 -11.098 1.00 0.49 H new ATOM 0 HO3' DC A 20 4.751 -8.374 -13.097 1.00 0.51 H new ATOM 0 H1' DC A 20 2.061 -7.442 -9.658 1.00 0.50 H new ATOM 0 H41 DC A 20 -4.242 -7.839 -11.591 1.00 0.63 H new ATOM 0 H42 DC A 20 -4.218 -7.972 -9.830 1.00 0.63 H new ATOM 0 H5 DC A 20 -2.251 -7.496 -12.899 1.00 0.49 H new ATOM 0 H6 DC A 20 0.172 -7.197 -12.840 1.00 0.45 H new TER 648 DC A 20