USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 250 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.381 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl -30:sc= -0.371 (180deg=-0.498) USER MOD Single : A 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT C7 :methyl -30:sc= 0 (180deg=-0.991) USER MOD Single : A 22 DT O3' : rot 156:sc= 1.67 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 3.147 -5.376 1.951 1.00 0.95 O ATOM 2 C5' DT A 1 3.231 -4.462 0.888 1.00 0.45 C ATOM 3 C4' DT A 1 3.125 -3.023 1.360 1.00 0.19 C ATOM 4 O4' DT A 1 1.805 -2.493 1.060 1.00 0.34 O ATOM 5 C3' DT A 1 3.337 -2.798 2.870 1.00 0.24 C ATOM 6 O3' DT A 1 4.439 -1.911 3.076 1.00 0.03 O ATOM 7 C2' DT A 1 2.031 -2.141 3.371 1.00 0.44 C ATOM 8 C1' DT A 1 1.419 -1.579 2.071 1.00 0.43 C ATOM 9 N1 DT A 1 -0.056 -1.471 2.089 1.00 0.74 N ATOM 10 C2 DT A 1 -0.606 -0.207 1.943 1.00 0.89 C ATOM 11 O2 DT A 1 0.071 0.796 1.786 1.00 0.82 O ATOM 12 N3 DT A 1 -1.981 -0.160 1.984 1.00 0.18 N ATOM 13 C4 DT A 1 -2.844 -1.231 2.151 1.00 0.35 C ATOM 14 O4 DT A 1 -4.057 -1.037 2.170 1.00 0.62 O ATOM 15 C5 DT A 1 -2.204 -2.530 2.295 1.00 0.23 C ATOM 16 C7 DT A 1 -3.060 -3.741 2.491 1.00 0.48 C ATOM 17 C6 DT A 1 -0.859 -2.594 2.255 1.00 0.94 C ATOM 0 H5' DT A 1 2.436 -4.667 0.171 1.00 0.45 H new ATOM 0 H5'' DT A 1 4.177 -4.602 0.364 1.00 0.45 H new ATOM 0 H4' DT A 1 3.932 -2.519 0.828 1.00 0.19 H new ATOM 0 H3' DT A 1 3.556 -3.726 3.398 1.00 0.24 H new ATOM 0 H2' DT A 1 1.371 -2.864 3.850 1.00 0.44 H new ATOM 0 H2'' DT A 1 2.226 -1.355 4.100 1.00 0.44 H new ATOM 0 HO5' DT A 1 3.218 -6.290 1.603 1.00 0.95 H new ATOM 0 H1' DT A 1 1.776 -0.561 1.918 1.00 0.43 H new ATOM 0 H3 DT A 1 -2.410 0.760 1.881 1.00 0.18 H new ATOM 0 H71 DT A 1 -2.561 -4.612 2.066 1.00 0.48 H new ATOM 0 H72 DT A 1 -3.225 -3.901 3.556 1.00 0.48 H new ATOM 0 H73 DT A 1 -4.019 -3.593 1.994 1.00 0.48 H new ATOM 0 H6 DT A 1 -0.384 -3.559 2.356 1.00 0.94 H new ATOM 31 P DA A 2 5.795 -2.476 3.718 1.00 0.99 P ATOM 32 OP1 DA A 2 5.908 -3.926 3.416 1.00 0.21 O ATOM 33 OP2 DA A 2 5.860 -2.061 5.142 1.00 0.02 O ATOM 34 O5' DA A 2 6.911 -1.698 2.892 1.00 0.92 O ATOM 35 C5' DA A 2 7.370 -0.402 3.274 1.00 0.85 C ATOM 36 C4' DA A 2 7.616 0.442 2.017 1.00 0.76 C ATOM 37 O4' DA A 2 6.333 0.677 1.383 1.00 0.81 O ATOM 38 C3' DA A 2 8.220 1.858 2.158 1.00 0.81 C ATOM 39 O3' DA A 2 8.834 2.256 0.927 1.00 0.85 O ATOM 40 C2' DA A 2 7.000 2.710 2.405 1.00 0.86 C ATOM 41 C1' DA A 2 5.918 2.028 1.583 1.00 0.88 C ATOM 42 N9 DA A 2 4.607 2.028 2.244 1.00 0.00 N ATOM 43 C8 DA A 2 4.115 1.125 3.154 1.00 0.05 C ATOM 44 N7 DA A 2 2.909 1.411 3.583 1.00 0.22 N ATOM 45 C5 DA A 2 2.582 2.582 2.910 1.00 0.28 C ATOM 46 C6 DA A 2 1.429 3.406 2.923 1.00 0.50 C ATOM 47 N6 DA A 2 0.356 3.167 3.679 1.00 0.65 N ATOM 48 N1 DA A 2 1.426 4.508 2.127 1.00 0.64 N ATOM 49 C2 DA A 2 2.512 4.757 1.373 1.00 0.56 C ATOM 50 N3 DA A 2 3.653 4.059 1.276 1.00 0.34 N ATOM 51 C4 DA A 2 3.623 2.971 2.078 1.00 0.18 C ATOM 0 H5' DA A 2 8.289 -0.486 3.855 1.00 0.85 H new ATOM 0 H5'' DA A 2 6.632 0.084 3.913 1.00 0.85 H new ATOM 0 H4' DA A 2 8.355 -0.154 1.482 1.00 0.76 H new ATOM 0 H3' DA A 2 8.981 1.930 2.935 1.00 0.81 H new ATOM 0 H2' DA A 2 6.740 2.742 3.463 1.00 0.86 H new ATOM 0 H2'' DA A 2 7.158 3.740 2.085 1.00 0.86 H new ATOM 0 H1' DA A 2 5.798 2.575 0.648 1.00 0.88 H new ATOM 0 H8 DA A 2 4.670 0.260 3.486 1.00 0.05 H new ATOM 0 H61 DA A 2 -0.444 3.799 3.643 1.00 0.65 H new ATOM 0 H62 DA A 2 0.336 2.352 4.292 1.00 0.65 H new ATOM 0 H2 DA A 2 2.457 5.644 0.759 1.00 0.56 H new ATOM 63 P DG A 3 10.336 2.818 0.938 1.00 0.02 P ATOM 64 OP1 DG A 3 10.547 3.619 2.172 1.00 0.24 O ATOM 65 OP2 DG A 3 10.605 3.481 -0.362 1.00 0.15 O ATOM 66 O5' DG A 3 11.198 1.475 1.039 1.00 0.97 O ATOM 67 C5' DG A 3 11.783 0.867 -0.112 1.00 0.95 C ATOM 68 C4' DG A 3 11.011 -0.368 -0.553 1.00 0.89 C ATOM 69 O4' DG A 3 9.576 -0.183 -0.352 1.00 0.77 O ATOM 70 C3' DG A 3 11.169 -0.738 -2.040 1.00 0.90 C ATOM 71 O3' DG A 3 11.411 -2.141 -2.159 1.00 0.94 O ATOM 72 C2' DG A 3 9.820 -0.369 -2.653 1.00 0.80 C ATOM 73 C1' DG A 3 8.870 -0.610 -1.503 1.00 0.74 C ATOM 74 N9 DG A 3 7.601 0.143 -1.587 1.00 0.65 N ATOM 75 C8 DG A 3 7.451 1.509 -1.666 1.00 0.62 C ATOM 76 N7 DG A 3 6.207 1.882 -1.765 1.00 0.57 N ATOM 77 C5 DG A 3 5.482 0.705 -1.742 1.00 0.56 C ATOM 78 C6 DG A 3 4.071 0.496 -1.814 1.00 0.54 C ATOM 79 O6 DG A 3 3.183 1.348 -1.919 1.00 0.53 O ATOM 80 N1 DG A 3 3.740 -0.863 -1.750 1.00 0.56 N ATOM 81 C2 DG A 3 4.667 -1.890 -1.626 1.00 0.62 C ATOM 82 N2 DG A 3 4.175 -3.136 -1.548 1.00 0.67 N ATOM 83 N3 DG A 3 5.989 -1.699 -1.565 1.00 0.66 N ATOM 84 C4 DG A 3 6.325 -0.386 -1.627 1.00 0.62 C ATOM 0 H5' DG A 3 12.815 0.592 0.107 1.00 0.95 H new ATOM 0 H5'' DG A 3 11.812 1.588 -0.929 1.00 0.95 H new ATOM 0 H4' DG A 3 11.435 -1.163 0.060 1.00 0.89 H new ATOM 0 H3' DG A 3 12.000 -0.229 -2.529 1.00 0.90 H new ATOM 0 H2' DG A 3 9.796 0.667 -2.991 1.00 0.80 H new ATOM 0 H2'' DG A 3 9.581 -0.991 -3.516 1.00 0.80 H new ATOM 0 H1' DG A 3 8.579 -1.660 -1.497 1.00 0.74 H new ATOM 0 H8 DG A 3 8.280 2.201 -1.648 1.00 0.62 H new ATOM 0 H1 DG A 3 2.753 -1.116 -1.798 1.00 0.56 H new ATOM 0 H21 DG A 3 4.809 -3.930 -1.456 1.00 0.67 H new ATOM 0 H22 DG A 3 3.167 -3.289 -1.581 1.00 0.67 H new ATOM 96 P DG A 4 12.036 -2.732 -3.509 1.00 0.96 P ATOM 97 OP1 DG A 4 13.311 -3.427 -3.189 1.00 0.20 O ATOM 98 OP2 DG A 4 12.075 -1.662 -4.539 1.00 0.11 O ATOM 99 O5' DG A 4 10.948 -3.815 -3.929 1.00 0.89 O ATOM 100 C5' DG A 4 10.392 -4.710 -2.973 1.00 0.83 C ATOM 101 C4' DG A 4 9.267 -5.513 -3.587 1.00 0.69 C ATOM 102 O4' DG A 4 8.031 -4.743 -3.511 1.00 0.61 O ATOM 103 C3' DG A 4 9.456 -5.855 -5.073 1.00 0.69 C ATOM 104 O3' DG A 4 9.001 -7.185 -5.335 1.00 0.69 O ATOM 105 C2' DG A 4 8.589 -4.826 -5.751 1.00 0.63 C ATOM 106 C1' DG A 4 7.427 -4.715 -4.786 1.00 0.57 C ATOM 107 N9 DG A 4 6.646 -3.479 -4.915 1.00 0.51 N ATOM 108 C8 DG A 4 7.142 -2.215 -5.083 1.00 0.50 C ATOM 109 N7 DG A 4 6.213 -1.303 -5.170 1.00 0.45 N ATOM 110 C5 DG A 4 5.028 -2.007 -5.056 1.00 0.43 C ATOM 111 C6 DG A 4 3.681 -1.545 -5.084 1.00 0.40 C ATOM 112 O6 DG A 4 3.282 -0.382 -5.210 1.00 0.37 O ATOM 113 N1 DG A 4 2.767 -2.599 -4.940 1.00 0.41 N ATOM 114 C2 DG A 4 3.122 -3.931 -4.788 1.00 0.46 C ATOM 115 N2 DG A 4 2.117 -4.811 -4.675 1.00 0.49 N ATOM 116 N3 DG A 4 4.381 -4.366 -4.759 1.00 0.49 N ATOM 117 C4 DG A 4 5.277 -3.359 -4.898 1.00 0.47 C ATOM 0 H5' DG A 4 10.020 -4.149 -2.115 1.00 0.83 H new ATOM 0 H5'' DG A 4 11.166 -5.382 -2.603 1.00 0.83 H new ATOM 0 H4' DG A 4 9.246 -6.444 -3.020 1.00 0.69 H new ATOM 0 H3' DG A 4 10.491 -5.830 -5.413 1.00 0.69 H new ATOM 0 H2' DG A 4 9.107 -3.875 -5.879 1.00 0.63 H new ATOM 0 H2'' DG A 4 8.269 -5.150 -6.741 1.00 0.63 H new ATOM 0 H1' DG A 4 6.716 -5.518 -4.977 1.00 0.57 H new ATOM 0 H8 DG A 4 8.198 -1.994 -5.138 1.00 0.50 H new ATOM 0 H1 DG A 4 1.773 -2.370 -4.948 1.00 0.41 H new ATOM 0 H21 DG A 4 2.319 -5.804 -4.561 1.00 0.49 H new ATOM 0 H22 DG A 4 1.150 -4.487 -4.703 1.00 0.49 H new ATOM 129 P DG A 5 9.106 -7.803 -6.813 1.00 0.78 P ATOM 130 OP1 DG A 5 9.758 -9.134 -6.733 1.00 0.98 O ATOM 131 OP2 DG A 5 9.707 -6.799 -7.728 1.00 0.88 O ATOM 132 O5' DG A 5 7.569 -8.002 -7.186 1.00 0.68 O ATOM 133 C5' DG A 5 6.685 -8.622 -6.260 1.00 0.64 C ATOM 134 C4' DG A 5 5.334 -8.940 -6.884 1.00 0.58 C ATOM 135 O4' DG A 5 4.465 -7.774 -6.834 1.00 0.56 O ATOM 136 C3' DG A 5 5.352 -9.356 -8.320 1.00 0.59 C ATOM 137 O3' DG A 5 4.220 -10.185 -8.619 1.00 0.61 O ATOM 138 C2' DG A 5 5.236 -8.032 -9.031 1.00 0.60 C ATOM 139 C1' DG A 5 4.168 -7.356 -8.163 1.00 0.54 C ATOM 140 N9 DG A 5 4.119 -5.876 -8.190 1.00 0.53 N ATOM 141 C8 DG A 5 5.163 -4.966 -8.164 1.00 0.53 C ATOM 142 N7 DG A 5 4.756 -3.722 -8.179 1.00 0.51 N ATOM 143 C5 DG A 5 3.374 -3.809 -8.218 1.00 0.48 C ATOM 144 C6 DG A 5 2.381 -2.781 -8.249 1.00 0.45 C ATOM 145 O6 DG A 5 2.553 -1.560 -8.242 1.00 0.43 O ATOM 146 N1 DG A 5 1.084 -3.307 -8.290 1.00 0.46 N ATOM 147 C2 DG A 5 0.791 -4.662 -8.300 1.00 0.50 C ATOM 148 N2 DG A 5 -0.502 -5.004 -8.352 1.00 0.54 N ATOM 149 N3 DG A 5 1.711 -5.619 -8.268 1.00 0.52 N ATOM 150 C4 DG A 5 2.969 -5.129 -8.229 1.00 0.50 C ATOM 0 H5' DG A 5 6.542 -7.966 -5.401 1.00 0.64 H new ATOM 0 H5'' DG A 5 7.137 -9.541 -5.887 1.00 0.64 H new ATOM 0 H4' DG A 5 4.985 -9.784 -6.289 1.00 0.58 H new ATOM 0 H3' DG A 5 6.231 -9.936 -8.601 1.00 0.59 H new ATOM 0 H2' DG A 5 6.176 -7.480 -9.040 1.00 0.60 H new ATOM 0 H2'' DG A 5 4.921 -8.142 -10.069 1.00 0.60 H new ATOM 0 H1' DG A 5 3.194 -7.652 -8.552 1.00 0.54 H new ATOM 0 H8 DG A 5 6.204 -5.253 -8.134 1.00 0.53 H new ATOM 0 H1 DG A 5 0.304 -2.650 -8.314 1.00 0.46 H new ATOM 0 H21 DG A 5 -0.769 -5.988 -8.361 1.00 0.54 H new ATOM 0 H22 DG A 5 -1.220 -4.280 -8.382 1.00 0.54 H new ATOM 162 P DT A 6 4.375 -11.779 -8.624 1.00 0.66 P ATOM 163 OP1 DT A 6 5.140 -12.198 -7.421 1.00 0.85 O ATOM 164 OP2 DT A 6 4.890 -12.203 -9.949 1.00 0.92 O ATOM 165 O5' DT A 6 2.862 -12.270 -8.471 1.00 0.82 O ATOM 166 C5' DT A 6 2.222 -12.333 -7.199 1.00 0.96 C ATOM 167 C4' DT A 6 1.514 -11.039 -6.888 1.00 0.04 C ATOM 168 O4' DT A 6 0.298 -10.948 -7.690 1.00 0.15 O ATOM 169 C3' DT A 6 1.059 -10.886 -5.426 1.00 0.22 C ATOM 170 O3' DT A 6 1.140 -9.507 -5.030 1.00 0.21 O ATOM 171 C2' DT A 6 -0.408 -11.312 -5.534 1.00 0.56 C ATOM 172 C1' DT A 6 -0.776 -10.634 -6.838 1.00 0.45 C ATOM 173 N1 DT A 6 -2.053 -11.055 -7.440 1.00 0.75 N ATOM 174 C2 DT A 6 -3.051 -10.105 -7.525 1.00 0.13 C ATOM 175 O2 DT A 6 -2.908 -8.959 -7.132 1.00 0.25 O ATOM 176 N3 DT A 6 -4.225 -10.541 -8.087 1.00 0.45 N ATOM 177 C4 DT A 6 -4.499 -11.811 -8.569 1.00 0.47 C ATOM 178 O4 DT A 6 -5.602 -12.058 -9.051 1.00 0.81 O ATOM 179 C5 DT A 6 -3.406 -12.766 -8.453 1.00 0.16 C ATOM 180 C7 DT A 6 -3.603 -14.164 -8.948 1.00 0.35 C ATOM 181 C6 DT A 6 -2.248 -12.351 -7.902 1.00 0.80 C ATOM 0 H5' DT A 6 2.961 -12.543 -6.426 1.00 0.96 H new ATOM 0 H5'' DT A 6 1.507 -13.155 -7.188 1.00 0.96 H new ATOM 0 H4' DT A 6 2.248 -10.263 -7.104 1.00 0.04 H new ATOM 0 H3' DT A 6 1.647 -11.451 -4.703 1.00 0.22 H new ATOM 0 H2' DT A 6 -0.527 -12.395 -5.578 1.00 0.56 H new ATOM 0 H2'' DT A 6 -1.008 -10.959 -4.696 1.00 0.56 H new ATOM 0 H1' DT A 6 -0.932 -9.569 -6.667 1.00 0.45 H new ATOM 0 H3 DT A 6 -4.977 -9.856 -8.157 1.00 0.45 H new ATOM 0 H71 DT A 6 -2.649 -14.568 -9.286 1.00 0.35 H new ATOM 0 H72 DT A 6 -3.994 -14.784 -8.141 1.00 0.35 H new ATOM 0 H73 DT A 6 -4.310 -14.160 -9.778 1.00 0.35 H new ATOM 0 H6 DT A 6 -1.435 -13.057 -7.816 1.00 0.80 H new ATOM 194 P DG A 7 2.064 -9.054 -3.792 1.00 0.97 P ATOM 195 OP1 DG A 7 2.788 -7.817 -4.177 1.00 0.97 O ATOM 196 OP2 DG A 7 2.869 -10.209 -3.318 1.00 0.11 O ATOM 197 O5' DG A 7 0.987 -8.666 -2.682 1.00 0.04 O ATOM 198 C5' DG A 7 0.738 -9.485 -1.541 1.00 0.90 C ATOM 199 C4' DG A 7 -0.460 -8.970 -0.757 1.00 0.67 C ATOM 200 O4' DG A 7 -0.182 -7.624 -0.251 1.00 0.66 O ATOM 201 C3' DG A 7 -1.737 -8.815 -1.575 1.00 0.51 C ATOM 202 O3' DG A 7 -2.908 -8.939 -0.761 1.00 0.44 O ATOM 203 C2' DG A 7 -1.598 -7.421 -2.086 1.00 0.45 C ATOM 204 C1' DG A 7 -1.087 -6.703 -0.857 1.00 0.44 C ATOM 205 N9 DG A 7 -0.374 -5.443 -1.138 1.00 0.44 N ATOM 206 C8 DG A 7 0.976 -5.267 -1.305 1.00 0.51 C ATOM 207 N7 DG A 7 1.311 -4.033 -1.537 1.00 0.50 N ATOM 208 C5 DG A 7 0.124 -3.343 -1.522 1.00 0.43 C ATOM 209 C6 DG A 7 -0.120 -1.958 -1.708 1.00 0.41 C ATOM 210 O6 DG A 7 0.718 -1.065 -1.914 1.00 0.46 O ATOM 211 N1 DG A 7 -1.486 -1.659 -1.616 1.00 0.37 N ATOM 212 C2 DG A 7 -2.482 -2.591 -1.374 1.00 0.35 C ATOM 213 N2 DG A 7 -3.740 -2.126 -1.317 1.00 0.36 N ATOM 214 N3 DG A 7 -2.255 -3.893 -1.196 1.00 0.37 N ATOM 215 C4 DG A 7 -0.938 -4.196 -1.281 1.00 0.40 C ATOM 0 H5' DG A 7 1.619 -9.500 -0.899 1.00 0.90 H new ATOM 0 H5'' DG A 7 0.557 -10.512 -1.858 1.00 0.90 H new ATOM 0 H4' DG A 7 -0.613 -9.720 0.019 1.00 0.67 H new ATOM 0 H3' DG A 7 -1.852 -9.573 -2.350 1.00 0.51 H new ATOM 0 H2' DG A 7 -0.899 -7.357 -2.920 1.00 0.45 H new ATOM 0 H2'' DG A 7 -2.547 -7.014 -2.434 1.00 0.45 H new ATOM 0 H1' DG A 7 -1.931 -6.415 -0.231 1.00 0.44 H new ATOM 0 H8 DG A 7 1.691 -6.075 -1.249 1.00 0.51 H new ATOM 0 H1 DG A 7 -1.767 -0.686 -1.736 1.00 0.37 H new ATOM 0 H21 DG A 7 -4.513 -2.767 -1.142 1.00 0.36 H new ATOM 0 H22 DG A 7 -3.922 -1.131 -1.449 1.00 0.36 H new ATOM 227 P DG A 8 -4.315 -9.291 -1.456 1.00 0.49 P ATOM 228 OP1 DG A 8 -5.397 -9.156 -0.446 1.00 0.71 O ATOM 229 OP2 DG A 8 -4.189 -10.597 -2.151 1.00 0.75 O ATOM 230 O5' DG A 8 -4.480 -8.134 -2.548 1.00 0.40 O ATOM 231 C5' DG A 8 -5.601 -7.253 -2.526 1.00 0.49 C ATOM 232 C4' DG A 8 -5.570 -6.271 -3.684 1.00 0.45 C ATOM 233 O4' DG A 8 -4.428 -5.413 -3.588 1.00 0.44 O ATOM 234 C3' DG A 8 -5.474 -6.877 -5.093 1.00 0.44 C ATOM 235 O3' DG A 8 -6.766 -6.826 -5.711 1.00 0.60 O ATOM 236 C2' DG A 8 -4.471 -5.967 -5.825 1.00 0.46 C ATOM 237 C1' DG A 8 -4.263 -4.827 -4.843 1.00 0.43 C ATOM 238 N9 DG A 8 -2.950 -4.151 -4.882 1.00 0.42 N ATOM 239 C8 DG A 8 -1.693 -4.717 -4.825 1.00 0.47 C ATOM 240 N7 DG A 8 -0.732 -3.836 -4.858 1.00 0.46 N ATOM 241 C5 DG A 8 -1.382 -2.618 -4.948 1.00 0.40 C ATOM 242 C6 DG A 8 -0.855 -1.295 -5.018 1.00 0.37 C ATOM 243 O6 DG A 8 0.331 -0.946 -5.014 1.00 0.39 O ATOM 244 N1 DG A 8 -1.870 -0.332 -5.103 1.00 0.34 N ATOM 245 C2 DG A 8 -3.224 -0.621 -5.121 1.00 0.33 C ATOM 246 N2 DG A 8 -4.075 0.414 -5.213 1.00 0.34 N ATOM 247 N3 DG A 8 -3.719 -1.854 -5.054 1.00 0.35 N ATOM 248 C4 DG A 8 -2.751 -2.796 -4.968 1.00 0.38 C ATOM 0 H5' DG A 8 -5.613 -6.704 -1.584 1.00 0.49 H new ATOM 0 H5'' DG A 8 -6.522 -7.835 -2.568 1.00 0.49 H new ATOM 0 H4' DG A 8 -6.531 -5.766 -3.584 1.00 0.45 H new ATOM 0 H3' DG A 8 -5.155 -7.919 -5.103 1.00 0.44 H new ATOM 0 H2' DG A 8 -3.538 -6.487 -6.042 1.00 0.46 H new ATOM 0 H2'' DG A 8 -4.868 -5.613 -6.776 1.00 0.46 H new ATOM 0 H1' DG A 8 -4.967 -4.034 -5.095 1.00 0.43 H new ATOM 0 H8 DG A 8 -1.522 -5.781 -4.760 1.00 0.47 H new ATOM 0 H1 DG A 8 -1.592 0.648 -5.155 1.00 0.34 H new ATOM 0 H21 DG A 8 -5.081 0.247 -5.230 1.00 0.34 H new ATOM 0 H22 DG A 8 -3.715 1.367 -5.266 1.00 0.34 H new ATOM 260 P DG A 9 -7.014 -7.474 -7.159 1.00 0.59 P ATOM 261 OP1 DG A 9 -8.261 -8.281 -7.116 1.00 0.81 O ATOM 262 OP2 DG A 9 -5.782 -8.155 -7.617 1.00 0.63 O ATOM 263 O5' DG A 9 -7.266 -6.186 -8.063 1.00 0.57 O ATOM 264 C5' DG A 9 -8.331 -5.288 -7.771 1.00 0.62 C ATOM 265 C4' DG A 9 -8.154 -3.967 -8.488 1.00 0.54 C ATOM 266 O4' DG A 9 -6.899 -3.364 -8.091 1.00 0.54 O ATOM 267 C3' DG A 9 -8.107 -4.055 -10.028 1.00 0.56 C ATOM 268 O3' DG A 9 -9.051 -3.146 -10.602 1.00 0.65 O ATOM 269 C2' DG A 9 -6.687 -3.628 -10.386 1.00 0.54 C ATOM 270 C1' DG A 9 -6.318 -2.742 -9.210 1.00 0.49 C ATOM 271 N9 DG A 9 -4.877 -2.587 -8.962 1.00 0.47 N ATOM 272 C8 DG A 9 -3.942 -3.582 -8.781 1.00 0.50 C ATOM 273 N7 DG A 9 -2.740 -3.122 -8.592 1.00 0.50 N ATOM 274 C5 DG A 9 -2.876 -1.749 -8.651 1.00 0.48 C ATOM 275 C6 DG A 9 -1.897 -0.727 -8.517 1.00 0.49 C ATOM 276 O6 DG A 9 -0.680 -0.863 -8.328 1.00 0.53 O ATOM 277 N1 DG A 9 -2.461 0.552 -8.638 1.00 0.50 N ATOM 278 C2 DG A 9 -3.806 0.799 -8.863 1.00 0.49 C ATOM 279 N2 DG A 9 -4.183 2.083 -8.951 1.00 0.53 N ATOM 280 N3 DG A 9 -4.722 -0.155 -8.992 1.00 0.48 N ATOM 281 C4 DG A 9 -4.193 -1.398 -8.876 1.00 0.46 C ATOM 0 H5' DG A 9 -8.379 -5.116 -6.696 1.00 0.62 H new ATOM 0 H5'' DG A 9 -9.279 -5.738 -8.065 1.00 0.62 H new ATOM 0 H4' DG A 9 -9.034 -3.388 -8.206 1.00 0.54 H new ATOM 0 H3' DG A 9 -8.353 -5.050 -10.398 1.00 0.56 H new ATOM 0 H2' DG A 9 -6.016 -4.482 -10.480 1.00 0.54 H new ATOM 0 H2'' DG A 9 -6.650 -3.087 -11.332 1.00 0.54 H new ATOM 0 H1' DG A 9 -6.673 -1.733 -9.418 1.00 0.49 H new ATOM 0 H8 DG A 9 -4.182 -4.635 -8.795 1.00 0.50 H new ATOM 0 H1 DG A 9 -1.838 1.355 -8.555 1.00 0.50 H new ATOM 0 H21 DG A 9 -5.162 2.317 -9.116 1.00 0.53 H new ATOM 0 H22 DG A 9 -3.491 2.826 -8.853 1.00 0.53 H new ATOM 293 P DT A 10 -10.242 -3.710 -11.510 1.00 0.00 P ATOM 294 OP1 DT A 10 -9.759 -4.903 -12.258 1.00 0.15 O ATOM 295 OP2 DT A 10 -10.815 -2.591 -12.298 1.00 0.38 O ATOM 296 O5' DT A 10 -11.302 -4.179 -10.418 1.00 0.05 O ATOM 297 C5' DT A 10 -11.823 -3.263 -9.462 1.00 0.34 C ATOM 298 C4' DT A 10 -12.947 -3.888 -8.663 1.00 0.40 C ATOM 299 O4' DT A 10 -13.983 -4.341 -9.571 1.00 0.77 O ATOM 300 C3' DT A 10 -12.556 -5.113 -7.829 1.00 0.43 C ATOM 301 O3' DT A 10 -13.307 -5.150 -6.611 1.00 0.44 O ATOM 302 C2' DT A 10 -12.942 -6.281 -8.722 1.00 0.81 C ATOM 303 C1' DT A 10 -14.164 -5.747 -9.464 1.00 0.97 C ATOM 304 N1 DT A 10 -14.352 -6.303 -10.822 1.00 0.35 N ATOM 305 C2 DT A 10 -15.563 -6.912 -11.115 1.00 0.74 C ATOM 306 O2 DT A 10 -16.472 -7.009 -10.308 1.00 0.81 O ATOM 307 N3 DT A 10 -15.670 -7.404 -12.400 1.00 3.09 N ATOM 308 C4 DT A 10 -14.706 -7.350 -13.397 1.00 3.12 C ATOM 309 O4 DT A 10 -14.943 -7.834 -14.500 1.00 3.48 O ATOM 310 C5 DT A 10 -13.461 -6.701 -13.023 1.00 0.74 C ATOM 311 C7 DT A 10 -12.362 -6.599 -14.033 1.00 0.83 C ATOM 312 C6 DT A 10 -13.339 -6.212 -11.774 1.00 0.38 C ATOM 0 H5' DT A 10 -12.187 -2.370 -9.970 1.00 0.34 H new ATOM 0 H5'' DT A 10 -11.028 -2.944 -8.788 1.00 0.34 H new ATOM 0 H4' DT A 10 -13.265 -3.102 -7.978 1.00 0.40 H new ATOM 0 H3' DT A 10 -11.504 -5.118 -7.543 1.00 0.43 H new ATOM 0 H2' DT A 10 -12.138 -6.550 -9.407 1.00 0.81 H new ATOM 0 H2'' DT A 10 -13.178 -7.173 -8.142 1.00 0.81 H new ATOM 0 H1' DT A 10 -15.051 -6.039 -8.902 1.00 0.97 H new ATOM 0 H3 DT A 10 -16.552 -7.856 -12.643 1.00 3.09 H new ATOM 0 H71 DT A 10 -11.773 -5.702 -13.841 1.00 0.83 H new ATOM 0 H72 DT A 10 -11.720 -7.477 -13.962 1.00 0.83 H new ATOM 0 H73 DT A 10 -12.791 -6.544 -15.033 1.00 0.83 H new ATOM 0 H6 DT A 10 -12.414 -5.727 -11.498 1.00 0.38 H new ATOM 325 P DT A 11 -12.671 -5.854 -5.320 1.00 0.50 P ATOM 326 OP1 DT A 11 -12.141 -7.189 -5.706 1.00 0.76 O ATOM 327 OP2 DT A 11 -13.656 -5.800 -4.211 1.00 0.58 O ATOM 328 O5' DT A 11 -11.446 -4.890 -4.983 1.00 0.34 O ATOM 329 C5' DT A 11 -11.656 -3.515 -4.683 1.00 0.83 C ATOM 330 C4' DT A 11 -10.365 -2.839 -4.325 1.00 0.67 C ATOM 331 O4' DT A 11 -9.655 -2.486 -5.537 1.00 0.61 O ATOM 332 C3' DT A 11 -10.523 -1.535 -3.535 1.00 0.53 C ATOM 333 O3' DT A 11 -9.618 -1.526 -2.425 1.00 0.54 O ATOM 334 C2' DT A 11 -10.133 -0.454 -4.531 1.00 0.45 C ATOM 335 C1' DT A 11 -9.138 -1.184 -5.398 1.00 0.48 C ATOM 336 N1 DT A 11 -8.930 -0.583 -6.718 1.00 0.48 N ATOM 337 C2 DT A 11 -7.644 -0.229 -7.080 1.00 0.47 C ATOM 338 O2 DT A 11 -6.681 -0.371 -6.341 1.00 0.46 O ATOM 339 N3 DT A 11 -7.531 0.324 -8.336 1.00 0.54 N ATOM 340 C4 DT A 11 -8.562 0.565 -9.235 1.00 0.63 C ATOM 341 O4 DT A 11 -8.318 1.078 -10.325 1.00 0.73 O ATOM 342 C5 DT A 11 -9.884 0.169 -8.774 1.00 0.64 C ATOM 343 C7 DT A 11 -11.073 0.383 -9.644 1.00 0.77 C ATOM 344 C6 DT A 11 -10.002 -0.378 -7.566 1.00 0.56 C ATOM 0 H5' DT A 11 -12.360 -3.423 -3.856 1.00 0.83 H new ATOM 0 H5'' DT A 11 -12.106 -3.016 -5.542 1.00 0.83 H new ATOM 0 H4' DT A 11 -9.836 -3.558 -3.699 1.00 0.67 H new ATOM 0 H3' DT A 11 -11.528 -1.400 -3.134 1.00 0.53 H new ATOM 0 H2' DT A 11 -10.989 -0.096 -5.103 1.00 0.45 H new ATOM 0 H2'' DT A 11 -9.691 0.414 -4.042 1.00 0.45 H new ATOM 0 H1' DT A 11 -8.156 -1.150 -4.927 1.00 0.48 H new ATOM 0 H3 DT A 11 -6.592 0.584 -8.638 1.00 0.54 H new ATOM 0 H71 DT A 11 -10.908 1.255 -10.277 1.00 0.77 H new ATOM 0 H72 DT A 11 -11.229 -0.496 -10.270 1.00 0.77 H new ATOM 0 H73 DT A 11 -11.954 0.547 -9.023 1.00 0.77 H new ATOM 0 H6 DT A 11 -10.985 -0.677 -7.232 1.00 0.56 H new ATOM 357 P DG A 12 -9.963 -0.681 -1.109 1.00 0.56 P ATOM 358 OP1 DG A 12 -9.093 -1.148 0.000 1.00 0.68 O ATOM 359 OP2 DG A 12 -11.431 -0.722 -0.888 1.00 0.68 O ATOM 360 O5' DG A 12 -9.537 0.811 -1.501 1.00 0.57 O ATOM 361 C5' DG A 12 -9.928 1.903 -0.674 1.00 0.60 C ATOM 362 C4' DG A 12 -9.188 3.187 -1.011 1.00 0.51 C ATOM 363 O4' DG A 12 -7.798 3.068 -0.622 1.00 0.46 O ATOM 364 C3' DG A 12 -9.191 3.600 -2.471 1.00 0.50 C ATOM 365 O3' DG A 12 -9.410 5.007 -2.594 1.00 0.54 O ATOM 366 C2' DG A 12 -7.820 3.212 -2.961 1.00 0.44 C ATOM 367 C1' DG A 12 -6.967 3.420 -1.710 1.00 0.41 C ATOM 368 N9 DG A 12 -5.752 2.601 -1.649 1.00 0.37 N ATOM 369 C8 DG A 12 -5.666 1.239 -1.478 1.00 0.35 C ATOM 370 N7 DG A 12 -4.431 0.802 -1.474 1.00 0.34 N ATOM 371 C5 DG A 12 -3.661 1.945 -1.647 1.00 0.34 C ATOM 372 C6 DG A 12 -2.244 2.110 -1.720 1.00 0.35 C ATOM 373 O6 DG A 12 -1.370 1.242 -1.653 1.00 0.37 O ATOM 374 N1 DG A 12 -1.882 3.451 -1.894 1.00 0.37 N ATOM 375 C2 DG A 12 -2.779 4.499 -1.990 1.00 0.39 C ATOM 376 N2 DG A 12 -2.271 5.732 -2.140 1.00 0.44 N ATOM 377 N3 DG A 12 -4.099 4.352 -1.928 1.00 0.39 N ATOM 378 C4 DG A 12 -4.467 3.061 -1.756 1.00 0.36 C ATOM 0 H5' DG A 12 -9.746 1.647 0.370 1.00 0.60 H new ATOM 0 H5'' DG A 12 -11.000 2.068 -0.779 1.00 0.60 H new ATOM 0 H4' DG A 12 -9.737 3.951 -0.461 1.00 0.51 H new ATOM 0 H3' DG A 12 -9.985 3.124 -3.047 1.00 0.50 H new ATOM 0 H2' DG A 12 -7.788 2.180 -3.310 1.00 0.44 H new ATOM 0 H2'' DG A 12 -7.490 3.839 -3.789 1.00 0.44 H new ATOM 0 H1' DG A 12 -6.619 4.453 -1.702 1.00 0.41 H new ATOM 0 H8 DG A 12 -6.526 0.597 -1.359 1.00 0.35 H new ATOM 0 H1 DG A 12 -0.888 3.670 -1.954 1.00 0.37 H new ATOM 0 H21 DG A 12 -2.895 6.535 -2.215 1.00 0.44 H new ATOM 0 H22 DG A 12 -1.261 5.866 -2.179 1.00 0.44 H new ATOM 390 P DG A 13 -9.918 5.608 -3.989 1.00 0.59 P ATOM 391 OP1 DG A 13 -10.904 6.686 -3.722 1.00 0.68 O ATOM 392 OP2 DG A 13 -10.342 4.493 -4.874 1.00 0.73 O ATOM 393 O5' DG A 13 -8.589 6.257 -4.578 1.00 0.60 O ATOM 394 C5' DG A 13 -8.001 7.401 -3.971 1.00 0.64 C ATOM 395 C4' DG A 13 -6.761 7.827 -4.719 1.00 0.60 C ATOM 396 O4' DG A 13 -5.669 6.953 -4.375 1.00 0.61 O ATOM 397 C3' DG A 13 -6.876 7.770 -6.253 1.00 0.62 C ATOM 398 O3' DG A 13 -6.771 9.090 -6.791 1.00 0.75 O ATOM 399 C2' DG A 13 -5.700 6.897 -6.703 1.00 0.51 C ATOM 400 C1' DG A 13 -4.801 6.854 -5.476 1.00 0.52 C ATOM 401 N9 DG A 13 -4.063 5.600 -5.373 1.00 0.48 N ATOM 402 C8 DG A 13 -4.605 4.346 -5.274 1.00 0.47 C ATOM 403 N7 DG A 13 -3.701 3.399 -5.228 1.00 0.44 N ATOM 404 C5 DG A 13 -2.491 4.078 -5.298 1.00 0.43 C ATOM 405 C6 DG A 13 -1.152 3.585 -5.295 1.00 0.41 C ATOM 406 O6 DG A 13 -0.776 2.414 -5.226 1.00 0.39 O ATOM 407 N1 DG A 13 -0.213 4.622 -5.386 1.00 0.43 N ATOM 408 C2 DG A 13 -0.539 5.967 -5.467 1.00 0.46 C ATOM 409 N2 DG A 13 0.478 6.833 -5.546 1.00 0.49 N ATOM 410 N3 DG A 13 -1.785 6.431 -5.471 1.00 0.47 N ATOM 411 C4 DG A 13 -2.703 5.441 -5.386 1.00 0.45 C ATOM 0 H5' DG A 13 -7.747 7.178 -2.935 1.00 0.64 H new ATOM 0 H5'' DG A 13 -8.720 8.220 -3.954 1.00 0.64 H new ATOM 0 H4' DG A 13 -6.606 8.865 -4.425 1.00 0.60 H new ATOM 0 H3' DG A 13 -7.829 7.363 -6.593 1.00 0.62 H new ATOM 0 H2' DG A 13 -6.029 5.900 -6.995 1.00 0.51 H new ATOM 0 H2'' DG A 13 -5.186 7.327 -7.562 1.00 0.51 H new ATOM 0 H1' DG A 13 -4.062 7.654 -5.526 1.00 0.52 H new ATOM 0 H8 DG A 13 -5.668 4.157 -5.238 1.00 0.47 H new ATOM 0 H1 DG A 13 0.775 4.370 -5.393 1.00 0.43 H new ATOM 0 H21 DG A 13 0.292 7.834 -5.608 1.00 0.49 H new ATOM 0 H22 DG A 13 1.439 6.492 -5.545 1.00 0.49 H new ATOM 423 P DG A 14 -6.933 9.322 -8.368 1.00 0.81 P ATOM 424 OP1 DG A 14 -7.552 10.653 -8.597 1.00 0.01 O ATOM 425 OP2 DG A 14 -7.599 8.140 -8.971 1.00 0.87 O ATOM 426 O5' DG A 14 -5.414 9.371 -8.847 1.00 0.74 O ATOM 427 C5' DG A 14 -4.489 10.251 -8.223 1.00 0.79 C ATOM 428 C4' DG A 14 -3.073 9.950 -8.641 1.00 0.68 C ATOM 429 O4' DG A 14 -2.709 8.610 -8.235 1.00 0.65 O ATOM 430 C3' DG A 14 -2.828 10.004 -10.163 1.00 0.65 C ATOM 431 O3' DG A 14 -1.725 10.873 -10.441 1.00 0.74 O ATOM 432 C2' DG A 14 -2.438 8.537 -10.521 1.00 0.61 C ATOM 433 C1' DG A 14 -1.856 8.071 -9.209 1.00 0.58 C ATOM 434 N9 DG A 14 -1.773 6.620 -9.012 1.00 0.54 N ATOM 435 C8 DG A 14 -2.807 5.721 -8.873 1.00 0.56 C ATOM 436 N7 DG A 14 -2.392 4.491 -8.712 1.00 0.55 N ATOM 437 C5 DG A 14 -1.007 4.585 -8.744 1.00 0.52 C ATOM 438 C6 DG A 14 -0.007 3.574 -8.619 1.00 0.53 C ATOM 439 O6 DG A 14 -0.168 2.363 -8.458 1.00 0.57 O ATOM 440 N1 DG A 14 1.286 4.102 -8.703 1.00 0.54 N ATOM 441 C2 DG A 14 1.574 5.443 -8.889 1.00 0.55 C ATOM 442 N2 DG A 14 2.872 5.781 -8.943 1.00 0.61 N ATOM 443 N3 DG A 14 0.647 6.391 -9.011 1.00 0.55 N ATOM 444 C4 DG A 14 -0.613 5.895 -8.929 1.00 0.53 C ATOM 0 H5' DG A 14 -4.576 10.164 -7.140 1.00 0.79 H new ATOM 0 H5'' DG A 14 -4.734 11.281 -8.481 1.00 0.79 H new ATOM 0 H4' DG A 14 -2.479 10.727 -8.160 1.00 0.68 H new ATOM 0 H3' DG A 14 -3.687 10.371 -10.724 1.00 0.65 H new ATOM 0 H2' DG A 14 -3.300 7.943 -10.825 1.00 0.61 H new ATOM 0 H2'' DG A 14 -1.714 8.489 -11.335 1.00 0.61 H new ATOM 0 H1' DG A 14 -0.818 8.399 -9.164 1.00 0.58 H new ATOM 0 H8 DG A 14 -3.850 6.002 -8.895 1.00 0.56 H new ATOM 0 H1 DG A 14 2.070 3.454 -8.622 1.00 0.54 H new ATOM 0 H21 DG A 14 3.140 6.756 -9.079 1.00 0.61 H new ATOM 0 H22 DG A 14 3.590 5.063 -8.848 1.00 0.61 H new ATOM 456 P DT A 15 -1.879 12.451 -10.199 1.00 0.93 P ATOM 457 OP1 DT A 15 -3.321 12.810 -10.233 1.00 0.96 O ATOM 458 OP2 DT A 15 -0.973 13.163 -11.132 1.00 0.09 O ATOM 459 O5' DT A 15 -1.335 12.628 -8.705 1.00 0.16 O ATOM 460 C5' DT A 15 -0.583 13.777 -8.328 1.00 0.35 C ATOM 461 C4' DT A 15 0.270 13.501 -7.107 1.00 0.17 C ATOM 462 O4' DT A 15 1.374 14.435 -7.087 1.00 0.07 O ATOM 463 C3' DT A 15 -0.422 13.680 -5.755 1.00 0.02 C ATOM 464 O3' DT A 15 0.195 12.832 -4.776 1.00 0.24 O ATOM 465 C2' DT A 15 -0.160 15.148 -5.426 1.00 0.73 C ATOM 466 C1' DT A 15 1.193 15.409 -6.063 1.00 0.76 C ATOM 467 N1 DT A 15 1.359 16.755 -6.654 1.00 0.82 N ATOM 468 C2 DT A 15 2.153 17.664 -5.971 1.00 0.05 C ATOM 469 O2 DT A 15 2.705 17.403 -4.913 1.00 0.27 O ATOM 470 N3 DT A 15 2.280 18.897 -6.576 1.00 0.36 N ATOM 471 C4 DT A 15 1.705 19.307 -7.769 1.00 0.53 C ATOM 472 O4 DT A 15 1.915 20.446 -8.186 1.00 0.93 O ATOM 473 C5 DT A 15 0.885 18.311 -8.435 1.00 0.44 C ATOM 474 C7 DT A 15 0.235 18.665 -9.723 1.00 0.95 C ATOM 475 C6 DT A 15 0.746 17.095 -7.861 1.00 0.11 C ATOM 0 H5' DT A 15 -1.260 14.606 -8.121 1.00 0.35 H new ATOM 0 H5'' DT A 15 0.054 14.085 -9.157 1.00 0.35 H new ATOM 0 H4' DT A 15 0.550 12.452 -7.209 1.00 0.17 H new ATOM 0 H3' DT A 15 -1.482 13.425 -5.769 1.00 0.02 H new ATOM 0 H2' DT A 15 -0.932 15.797 -5.839 1.00 0.73 H new ATOM 0 H2'' DT A 15 -0.139 15.322 -4.350 1.00 0.73 H new ATOM 0 H1' DT A 15 1.936 15.347 -5.267 1.00 0.76 H new ATOM 0 H3 DT A 15 2.861 19.582 -6.093 1.00 0.36 H new ATOM 0 H71 DT A 15 0.129 17.769 -10.335 1.00 0.95 H new ATOM 0 H72 DT A 15 -0.750 19.091 -9.529 1.00 0.95 H new ATOM 0 H73 DT A 15 0.848 19.395 -10.251 1.00 0.95 H new ATOM 0 H6 DT A 15 0.135 16.356 -8.357 1.00 0.11 H new ATOM 488 P DG A 16 -0.653 11.648 -4.103 1.00 0.40 P ATOM 489 OP1 DG A 16 -0.699 10.493 -5.039 1.00 0.68 O ATOM 490 OP2 DG A 16 -1.946 12.205 -3.627 1.00 0.83 O ATOM 491 O5' DG A 16 0.240 11.240 -2.840 1.00 0.06 O ATOM 492 C5' DG A 16 1.025 12.192 -2.118 1.00 0.00 C ATOM 493 C4' DG A 16 2.442 11.692 -1.921 1.00 0.77 C ATOM 494 O4' DG A 16 2.408 10.364 -1.326 1.00 0.69 O ATOM 495 C3' DG A 16 3.261 11.549 -3.210 1.00 0.65 C ATOM 496 O3' DG A 16 4.646 11.829 -2.964 1.00 0.58 O ATOM 497 C2' DG A 16 3.077 10.078 -3.556 1.00 0.58 C ATOM 498 C1' DG A 16 3.049 9.427 -2.183 1.00 0.56 C ATOM 499 N9 DG A 16 2.295 8.165 -2.141 1.00 0.54 N ATOM 500 C8 DG A 16 0.930 8.019 -2.162 1.00 0.58 C ATOM 501 N7 DG A 16 0.546 6.770 -2.119 1.00 0.56 N ATOM 502 C5 DG A 16 1.726 6.048 -2.066 1.00 0.50 C ATOM 503 C6 DG A 16 1.942 4.640 -2.004 1.00 0.49 C ATOM 504 O6 DG A 16 1.095 3.742 -1.983 1.00 0.52 O ATOM 505 N1 DG A 16 3.305 4.324 -1.965 1.00 0.48 N ATOM 506 C2 DG A 16 4.326 5.257 -1.983 1.00 0.46 C ATOM 507 N2 DG A 16 5.576 4.782 -1.937 1.00 0.49 N ATOM 508 N3 DG A 16 4.132 6.573 -2.040 1.00 0.46 N ATOM 509 C4 DG A 16 2.818 6.898 -2.078 1.00 0.49 C ATOM 0 H5' DG A 16 0.566 12.386 -1.148 1.00 0.00 H new ATOM 0 H5'' DG A 16 1.042 13.139 -2.658 1.00 0.00 H new ATOM 0 H4' DG A 16 2.916 12.447 -1.294 1.00 0.77 H new ATOM 0 H3' DG A 16 2.948 12.232 -4.000 1.00 0.65 H new ATOM 0 H2' DG A 16 2.154 9.902 -4.109 1.00 0.58 H new ATOM 0 H2'' DG A 16 3.894 9.699 -4.170 1.00 0.58 H new ATOM 0 H1' DG A 16 4.069 9.180 -1.889 1.00 0.56 H new ATOM 0 H8 DG A 16 0.243 8.851 -2.209 1.00 0.58 H new ATOM 0 H1 DG A 16 3.563 3.338 -1.920 1.00 0.48 H new ATOM 0 H21 DG A 16 6.367 5.426 -1.948 1.00 0.49 H new ATOM 0 H22 DG A 16 5.738 3.776 -1.891 1.00 0.49 H new ATOM 521 P DG A 17 5.636 12.073 -4.207 1.00 0.50 P ATOM 522 OP1 DG A 17 6.762 12.936 -3.764 1.00 0.54 O ATOM 523 OP2 DG A 17 4.840 12.535 -5.372 1.00 0.63 O ATOM 524 O5' DG A 17 6.199 10.608 -4.512 1.00 0.49 O ATOM 525 C5' DG A 17 7.397 10.141 -3.897 1.00 0.65 C ATOM 526 C4' DG A 17 7.825 8.793 -4.446 1.00 0.65 C ATOM 527 O4' DG A 17 6.753 7.834 -4.286 1.00 0.60 O ATOM 528 C3' DG A 17 8.186 8.761 -5.951 1.00 0.66 C ATOM 529 O3' DG A 17 9.533 8.295 -6.115 1.00 0.79 O ATOM 530 C2' DG A 17 7.191 7.764 -6.553 1.00 0.59 C ATOM 531 C1' DG A 17 6.813 6.922 -5.354 1.00 0.55 C ATOM 532 N9 DG A 17 5.524 6.216 -5.447 1.00 0.48 N ATOM 533 C8 DG A 17 4.272 6.764 -5.597 1.00 0.52 C ATOM 534 N7 DG A 17 3.321 5.872 -5.622 1.00 0.47 N ATOM 535 C5 DG A 17 3.977 4.662 -5.489 1.00 0.41 C ATOM 536 C6 DG A 17 3.459 3.335 -5.451 1.00 0.39 C ATOM 537 O6 DG A 17 2.275 2.981 -5.518 1.00 0.42 O ATOM 538 N1 DG A 17 4.478 2.381 -5.311 1.00 0.37 N ATOM 539 C2 DG A 17 5.830 2.686 -5.219 1.00 0.37 C ATOM 540 N2 DG A 17 6.686 1.659 -5.111 1.00 0.38 N ATOM 541 N3 DG A 17 6.313 3.926 -5.247 1.00 0.39 N ATOM 542 C4 DG A 17 5.340 4.856 -5.384 1.00 0.41 C ATOM 0 H5' DG A 17 7.246 10.063 -2.820 1.00 0.65 H new ATOM 0 H5'' DG A 17 8.194 10.868 -4.056 1.00 0.65 H new ATOM 0 H4' DG A 17 8.725 8.559 -3.877 1.00 0.65 H new ATOM 0 H3' DG A 17 8.129 9.740 -6.427 1.00 0.66 H new ATOM 0 H2' DG A 17 6.326 8.265 -6.987 1.00 0.59 H new ATOM 0 H2'' DG A 17 7.643 7.166 -7.344 1.00 0.59 H new ATOM 0 H1' DG A 17 7.548 6.124 -5.249 1.00 0.55 H new ATOM 0 H8 DG A 17 4.094 7.826 -5.685 1.00 0.52 H new ATOM 0 H1 DG A 17 4.208 1.398 -5.274 1.00 0.37 H new ATOM 0 H21 DG A 17 7.688 1.836 -5.041 1.00 0.38 H new ATOM 0 H22 DG A 17 6.335 0.701 -5.099 1.00 0.38 H new ATOM 554 P DG A 18 10.156 8.131 -7.586 1.00 0.89 P ATOM 555 OP1 DG A 18 11.618 8.388 -7.521 1.00 0.05 O ATOM 556 OP2 DG A 18 9.360 8.943 -8.542 1.00 0.88 O ATOM 557 O5' DG A 18 9.919 6.580 -7.894 1.00 0.92 O ATOM 558 C5' DG A 18 10.604 5.563 -7.165 1.00 0.94 C ATOM 559 C4' DG A 18 10.697 4.260 -8.001 1.00 0.96 C ATOM 560 O4' DG A 18 9.444 3.532 -7.858 1.00 0.87 O ATOM 561 C3' DG A 18 10.868 4.476 -9.494 1.00 0.97 C ATOM 562 O3' DG A 18 11.589 3.386 -10.083 1.00 0.10 O ATOM 563 C2' DG A 18 9.426 4.487 -9.977 1.00 0.84 C ATOM 564 C1' DG A 18 8.851 3.361 -9.128 1.00 0.81 C ATOM 565 N9 DG A 18 7.377 3.304 -8.957 1.00 0.66 N ATOM 566 C8 DG A 18 6.454 4.340 -8.900 1.00 0.65 C ATOM 567 N7 DG A 18 5.227 3.919 -8.754 1.00 0.53 N ATOM 568 C5 DG A 18 5.331 2.542 -8.704 1.00 0.47 C ATOM 569 C6 DG A 18 4.321 1.550 -8.552 1.00 0.40 C ATOM 570 O6 DG A 18 3.100 1.722 -8.443 1.00 0.41 O ATOM 571 N1 DG A 18 4.857 0.255 -8.545 1.00 0.41 N ATOM 572 C2 DG A 18 6.203 -0.038 -8.671 1.00 0.45 C ATOM 573 N2 DG A 18 6.551 -1.338 -8.630 1.00 0.48 N ATOM 574 N3 DG A 18 7.152 0.885 -8.817 1.00 0.52 N ATOM 575 C4 DG A 18 6.649 2.146 -8.825 1.00 0.53 C ATOM 0 H5' DG A 18 10.082 5.364 -6.229 1.00 0.94 H new ATOM 0 H5'' DG A 18 11.605 5.906 -6.905 1.00 0.94 H new ATOM 0 H4' DG A 18 11.575 3.735 -7.625 1.00 0.96 H new ATOM 0 H3' DG A 18 11.428 5.375 -9.750 1.00 0.97 H new ATOM 0 H2' DG A 18 8.932 5.441 -9.792 1.00 0.84 H new ATOM 0 H2'' DG A 18 9.343 4.287 -11.045 1.00 0.84 H new ATOM 0 H1' DG A 18 9.072 2.428 -9.647 1.00 0.81 H new ATOM 0 H8 DG A 18 6.723 5.384 -8.969 1.00 0.65 H new ATOM 0 H1 DG A 18 4.209 -0.526 -8.440 1.00 0.41 H new ATOM 0 H21 DG A 18 7.531 -1.607 -8.718 1.00 0.48 H new ATOM 0 H22 DG A 18 5.835 -2.054 -8.511 1.00 0.48 H new ATOM 587 P DG A 19 12.058 3.477 -11.618 1.00 0.21 P ATOM 588 OP1 DG A 19 13.255 2.617 -11.808 1.00 0.39 O ATOM 589 OP2 DG A 19 12.174 4.906 -12.000 1.00 0.26 O ATOM 590 O5' DG A 19 10.827 2.828 -12.404 1.00 0.12 O ATOM 591 C5' DG A 19 10.391 1.497 -12.131 1.00 0.05 C ATOM 592 C4' DG A 19 8.952 1.274 -12.559 1.00 0.93 C ATOM 593 O4' DG A 19 8.141 2.442 -12.237 1.00 0.90 O ATOM 594 C3' DG A 19 8.747 1.024 -14.046 1.00 0.00 C ATOM 595 O3' DG A 19 7.662 0.112 -14.246 1.00 0.01 O ATOM 596 C2' DG A 19 8.378 2.418 -14.567 1.00 0.03 C ATOM 597 C1' DG A 19 7.499 2.919 -13.408 1.00 0.90 C ATOM 598 N9 DG A 19 7.309 4.389 -13.269 1.00 0.94 N ATOM 599 C8 DG A 19 8.217 5.422 -13.473 1.00 0.04 C ATOM 600 N7 DG A 19 7.716 6.601 -13.217 1.00 0.15 N ATOM 601 C5 DG A 19 6.410 6.351 -12.827 1.00 0.12 C ATOM 602 C6 DG A 19 5.374 7.251 -12.422 1.00 0.26 C ATOM 603 O6 DG A 19 5.418 8.484 -12.327 1.00 0.42 O ATOM 604 N1 DG A 19 4.192 6.573 -12.107 1.00 0.24 N ATOM 605 C2 DG A 19 4.029 5.206 -12.177 1.00 0.11 C ATOM 606 N2 DG A 19 2.826 4.733 -11.835 1.00 0.16 N ATOM 607 N3 DG A 19 4.985 4.360 -12.552 1.00 0.98 N ATOM 608 C4 DG A 19 6.143 4.993 -12.860 1.00 0.99 C ATOM 0 H5' DG A 19 10.488 1.295 -11.064 1.00 0.05 H new ATOM 0 H5'' DG A 19 11.038 0.789 -12.650 1.00 0.05 H new ATOM 0 H4' DG A 19 8.657 0.376 -12.016 1.00 0.93 H new ATOM 0 H3' DG A 19 9.612 0.587 -14.544 1.00 0.00 H new ATOM 0 H2' DG A 19 9.254 3.047 -14.727 1.00 0.03 H new ATOM 0 H2'' DG A 19 7.837 2.379 -15.512 1.00 0.03 H new ATOM 0 H1' DG A 19 6.490 2.553 -13.595 1.00 0.90 H new ATOM 0 H8 DG A 19 9.232 5.266 -13.808 1.00 0.04 H new ATOM 0 H1 DG A 19 3.393 7.130 -11.804 1.00 0.24 H new ATOM 0 H21 DG A 19 2.645 3.730 -11.867 1.00 0.16 H new ATOM 0 H22 DG A 19 2.090 5.375 -11.542 1.00 0.16 H new ATOM 620 P DA A 20 7.669 -0.861 -15.522 1.00 0.06 P ATOM 621 OP1 DA A 20 7.685 -2.271 -15.053 1.00 0.15 O ATOM 622 OP2 DA A 20 8.747 -0.434 -16.449 1.00 0.24 O ATOM 623 O5' DA A 20 6.257 -0.557 -16.197 1.00 0.06 O ATOM 624 C5' DA A 20 5.113 -1.349 -15.896 1.00 0.00 C ATOM 625 C4' DA A 20 3.847 -0.699 -16.402 1.00 0.95 C ATOM 626 O4' DA A 20 3.722 0.631 -15.828 1.00 0.96 O ATOM 627 C3' DA A 20 3.779 -0.508 -17.935 1.00 0.99 C ATOM 628 O3' DA A 20 2.544 -1.041 -18.436 1.00 0.01 O ATOM 629 C2' DA A 20 3.801 1.034 -18.106 1.00 0.06 C ATOM 630 C1' DA A 20 3.161 1.482 -16.789 1.00 0.98 C ATOM 631 N9 DA A 20 3.384 2.889 -16.368 1.00 0.01 N ATOM 632 C8 DA A 20 4.517 3.680 -16.489 1.00 0.03 C ATOM 633 N7 DA A 20 4.364 4.897 -16.023 1.00 0.07 N ATOM 634 C5 DA A 20 3.058 4.920 -15.555 1.00 0.09 C ATOM 635 C6 DA A 20 2.283 5.934 -14.939 1.00 0.19 C ATOM 636 N6 DA A 20 2.728 7.172 -14.712 1.00 0.24 N ATOM 637 N1 DA A 20 1.006 5.632 -14.584 1.00 0.24 N ATOM 638 C2 DA A 20 0.547 4.392 -14.841 1.00 0.20 C ATOM 639 N3 DA A 20 1.176 3.360 -15.420 1.00 0.12 N ATOM 640 C4 DA A 20 2.444 3.692 -15.757 1.00 0.06 C ATOM 0 H5' DA A 20 5.043 -1.496 -14.818 1.00 0.00 H new ATOM 0 H5'' DA A 20 5.223 -2.336 -16.346 1.00 0.00 H new ATOM 0 H4' DA A 20 3.051 -1.383 -16.108 1.00 0.95 H new ATOM 0 H3' DA A 20 4.585 -1.010 -18.470 1.00 0.99 H new ATOM 0 H2' DA A 20 4.813 1.421 -18.226 1.00 0.06 H new ATOM 0 H2'' DA A 20 3.230 1.361 -18.975 1.00 0.06 H new ATOM 0 H1' DA A 20 2.079 1.429 -16.911 1.00 0.98 H new ATOM 0 H8 DA A 20 5.439 3.327 -16.926 1.00 0.03 H new ATOM 0 H61 DA A 20 2.121 7.858 -14.264 1.00 0.24 H new ATOM 0 H62 DA A 20 3.675 7.432 -14.987 1.00 0.24 H new ATOM 0 H2 DA A 20 -0.472 4.203 -14.538 1.00 0.20 H new ATOM 652 P DA A 21 2.380 -1.341 -20.007 1.00 0.22 P ATOM 653 OP1 DA A 21 3.575 -2.086 -20.486 1.00 0.35 O ATOM 654 OP2 DA A 21 2.037 -0.075 -20.702 1.00 0.50 O ATOM 655 O5' DA A 21 1.114 -2.321 -20.057 1.00 0.21 O ATOM 656 C5' DA A 21 -0.182 -1.892 -19.638 1.00 0.27 C ATOM 657 C4' DA A 21 -0.250 -1.820 -18.140 1.00 0.11 C ATOM 658 O4' DA A 21 -1.497 -1.212 -17.757 1.00 0.24 O ATOM 659 C3' DA A 21 -0.210 -3.185 -17.435 1.00 0.04 C ATOM 660 O3' DA A 21 0.887 -3.233 -16.522 1.00 0.92 O ATOM 661 C2' DA A 21 -1.551 -3.236 -16.663 1.00 0.18 C ATOM 662 C1' DA A 21 -1.884 -1.752 -16.530 1.00 0.19 C ATOM 663 N9 DA A 21 -3.302 -1.423 -16.305 1.00 0.38 N ATOM 664 C8 DA A 21 -4.325 -2.258 -15.915 1.00 0.53 C ATOM 665 N7 DA A 21 -5.483 -1.652 -15.791 1.00 0.69 N ATOM 666 C5 DA A 21 -5.206 -0.332 -16.119 1.00 0.67 C ATOM 667 C6 DA A 21 -6.013 0.831 -16.181 1.00 0.83 C ATOM 668 N6 DA A 21 -7.319 0.846 -15.903 1.00 0.02 N ATOM 669 N1 DA A 21 -5.417 1.997 -16.547 1.00 0.84 N ATOM 670 C2 DA A 21 -4.100 1.982 -16.826 1.00 0.69 C ATOM 671 N3 DA A 21 -3.243 0.960 -16.801 1.00 0.50 N ATOM 672 C4 DA A 21 -3.864 -0.181 -16.435 1.00 0.50 C ATOM 0 H5' DA A 21 -0.939 -2.583 -20.010 1.00 0.27 H new ATOM 0 H5'' DA A 21 -0.405 -0.915 -20.066 1.00 0.27 H new ATOM 0 H4' DA A 21 0.630 -1.252 -17.838 1.00 0.11 H new ATOM 0 H3' DA A 21 -0.084 -4.019 -18.125 1.00 0.04 H new ATOM 0 H2' DA A 21 -2.319 -3.781 -17.211 1.00 0.18 H new ATOM 0 H2'' DA A 21 -1.447 -3.721 -15.693 1.00 0.18 H new ATOM 0 H1' DA A 21 -1.378 -1.360 -15.648 1.00 0.19 H new ATOM 0 H8 DA A 21 -4.188 -3.313 -15.729 1.00 0.53 H new ATOM 0 H61 DA A 21 -7.844 1.718 -15.967 1.00 0.02 H new ATOM 0 H62 DA A 21 -7.792 -0.015 -15.627 1.00 0.02 H new ATOM 0 H2 DA A 21 -3.677 2.934 -17.111 1.00 0.69 H new ATOM 684 P DT A 22 1.803 -4.548 -16.479 1.00 0.91 P ATOM 685 OP1 DT A 22 2.867 -4.428 -17.509 1.00 0.96 O ATOM 686 OP2 DT A 22 0.925 -5.744 -16.535 1.00 0.12 O ATOM 687 O5' DT A 22 2.468 -4.463 -15.036 1.00 0.91 O ATOM 688 C5' DT A 22 1.704 -4.154 -13.873 1.00 0.03 C ATOM 689 C4' DT A 22 2.279 -2.943 -13.181 1.00 0.97 C ATOM 690 O4' DT A 22 1.576 -1.765 -13.587 1.00 0.90 O ATOM 691 C3' DT A 22 2.140 -2.938 -11.671 1.00 0.14 C ATOM 692 O3' DT A 22 3.223 -3.647 -11.066 1.00 0.37 O ATOM 693 C2' DT A 22 2.196 -1.433 -11.316 1.00 0.08 C ATOM 694 C1' DT A 22 1.861 -0.729 -12.663 1.00 0.93 C ATOM 695 N1 DT A 22 0.695 0.168 -12.594 1.00 0.90 N ATOM 696 C2 DT A 22 0.917 1.533 -12.657 1.00 0.95 C ATOM 697 O2 DT A 22 2.028 2.023 -12.738 1.00 0.05 O ATOM 698 N3 DT A 22 -0.219 2.311 -12.601 1.00 0.96 N ATOM 699 C4 DT A 22 -1.526 1.864 -12.483 1.00 0.92 C ATOM 700 O4 DT A 22 -2.446 2.676 -12.440 1.00 0.97 O ATOM 701 C5 DT A 22 -1.685 0.418 -12.416 1.00 0.91 C ATOM 702 C7 DT A 22 -3.063 -0.153 -12.298 1.00 0.00 C ATOM 703 C6 DT A 22 -0.583 -0.352 -12.472 1.00 0.91 C ATOM 0 H5' DT A 22 1.703 -5.005 -13.192 1.00 0.03 H new ATOM 0 H5'' DT A 22 0.667 -3.966 -14.149 1.00 0.03 H new ATOM 0 H4' DT A 22 3.333 -2.969 -13.458 1.00 0.97 H new ATOM 0 H3' DT A 22 1.230 -3.424 -11.319 1.00 0.14 H new ATOM 0 H2' DT A 22 1.476 -1.177 -10.539 1.00 0.08 H new ATOM 0 H2'' DT A 22 3.180 -1.144 -10.946 1.00 0.08 H new ATOM 0 HO3' DT A 22 3.345 -3.335 -10.145 1.00 0.37 H new ATOM 0 H1' DT A 22 2.708 -0.104 -12.946 1.00 0.93 H new ATOM 0 H3 DT A 22 -0.084 3.321 -12.652 1.00 0.96 H new ATOM 0 H71 DT A 22 -3.704 0.550 -11.765 1.00 0.00 H new ATOM 0 H72 DT A 22 -3.469 -0.332 -13.294 1.00 0.00 H new ATOM 0 H73 DT A 22 -3.021 -1.094 -11.749 1.00 0.00 H new ATOM 0 H6 DT A 22 -0.700 -1.424 -12.419 1.00 0.91 H new TER 717 DT A 22