USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.417 (180deg=-1.2) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0671 (180deg=-0.0671) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-0.888) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.072 5.467 -6.136 1.00 8.00 P ATOM 2 OP1 DG A 1 11.128 5.491 -5.100 1.00 8.00 O ATOM 3 OP2 DG A 1 10.436 5.683 -7.549 1.00 8.00 O ATOM 4 O5' DG A 1 9.267 4.065 -6.062 1.00 8.00 O ATOM 5 C5' DG A 1 9.733 2.950 -5.315 1.00 8.00 C ATOM 6 C4' DG A 1 9.618 3.163 -3.806 1.00 8.00 C ATOM 7 O4' DG A 1 8.302 3.482 -3.390 1.00 8.00 O ATOM 8 C3' DG A 1 10.049 1.935 -2.994 1.00 8.00 C ATOM 9 O3' DG A 1 11.254 2.229 -2.309 1.00 8.00 O ATOM 10 C2' DG A 1 8.884 1.778 -2.025 1.00 8.00 C ATOM 11 C1' DG A 1 8.290 3.170 -2.024 1.00 8.00 C ATOM 12 N9 DG A 1 6.960 3.206 -1.402 1.00 8.00 N ATOM 13 C8 DG A 1 6.689 3.637 -0.130 1.00 8.00 C ATOM 14 N7 DG A 1 5.429 3.664 0.194 1.00 8.00 N ATOM 15 C5 DG A 1 4.843 3.148 -0.960 1.00 8.00 C ATOM 16 C6 DG A 1 3.452 2.882 -1.208 1.00 8.00 C ATOM 17 O6 DG A 1 2.492 3.086 -0.459 1.00 8.00 O ATOM 18 N1 DG A 1 3.206 2.292 -2.440 1.00 8.00 N ATOM 19 C2 DG A 1 4.186 1.942 -3.324 1.00 8.00 C ATOM 20 N2 DG A 1 3.807 1.310 -4.421 1.00 8.00 N ATOM 21 N3 DG A 1 5.484 2.204 -3.137 1.00 8.00 N ATOM 22 C4 DG A 1 5.753 2.812 -1.933 1.00 8.00 C ATOM 0 H5' DG A 1 10.774 2.755 -5.572 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.163 2.065 -5.598 1.00 8.00 H new ATOM 0 H4' DG A 1 10.289 4.000 -3.613 1.00 8.00 H new ATOM 0 H3' DG A 1 10.243 1.037 -3.580 1.00 8.00 H new ATOM 0 H2' DG A 1 8.169 1.029 -2.364 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.216 1.475 -1.032 1.00 8.00 H new ATOM 0 H1' DG A 1 8.837 3.899 -1.426 1.00 8.00 H new ATOM 0 H8 DG A 1 7.468 3.934 0.557 1.00 8.00 H new ATOM 0 H1 DG A 1 2.237 2.109 -2.700 1.00 8.00 H new ATOM 0 H21 DG A 1 4.502 1.027 -5.112 1.00 8.00 H new ATOM 0 H22 DG A 1 2.820 1.105 -4.576 1.00 8.00 H new ATOM 34 P DG A 2 12.132 1.077 -1.598 1.00 8.00 P ATOM 35 OP1 DG A 2 13.452 1.662 -1.283 1.00 8.00 O ATOM 36 OP2 DG A 2 12.027 -0.140 -2.426 1.00 8.00 O ATOM 37 O5' DG A 2 11.348 0.812 -0.218 1.00 8.00 O ATOM 38 C5' DG A 2 11.314 1.800 0.794 1.00 8.00 C ATOM 39 C4' DG A 2 10.553 1.354 2.044 1.00 8.00 C ATOM 40 O4' DG A 2 9.155 1.497 1.858 1.00 8.00 O ATOM 41 C3' DG A 2 10.839 -0.094 2.437 1.00 8.00 C ATOM 42 O3' DG A 2 10.941 -0.113 3.850 1.00 8.00 O ATOM 43 C2' DG A 2 9.593 -0.827 1.963 1.00 8.00 C ATOM 44 C1' DG A 2 8.539 0.261 2.164 1.00 8.00 C ATOM 45 N9 DG A 2 7.307 0.187 1.371 1.00 8.00 N ATOM 46 C8 DG A 2 7.144 -0.293 0.107 1.00 8.00 C ATOM 47 N7 DG A 2 5.915 -0.347 -0.322 1.00 8.00 N ATOM 48 C5 DG A 2 5.226 0.189 0.762 1.00 8.00 C ATOM 49 C6 DG A 2 3.807 0.317 0.967 1.00 8.00 C ATOM 50 O6 DG A 2 2.888 -0.020 0.213 1.00 8.00 O ATOM 51 N1 DG A 2 3.467 0.850 2.202 1.00 8.00 N ATOM 52 C2 DG A 2 4.379 1.214 3.152 1.00 8.00 C ATOM 53 N2 DG A 2 3.915 1.703 4.288 1.00 8.00 N ATOM 54 N3 DG A 2 5.702 1.109 2.992 1.00 8.00 N ATOM 55 C4 DG A 2 6.059 0.570 1.783 1.00 8.00 C ATOM 0 H5' DG A 2 10.850 2.703 0.396 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.335 2.062 1.072 1.00 8.00 H new ATOM 0 H4' DG A 2 10.904 2.001 2.848 1.00 8.00 H new ATOM 0 H3' DG A 2 11.746 -0.533 2.021 1.00 8.00 H new ATOM 0 H2' DG A 2 9.669 -1.144 0.923 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.386 -1.719 2.554 1.00 8.00 H new ATOM 0 H1' DG A 2 8.208 0.132 3.194 1.00 8.00 H new ATOM 0 H8 DG A 2 7.979 -0.608 -0.500 1.00 8.00 H new ATOM 0 H1 DG A 2 2.477 0.978 2.413 1.00 8.00 H new ATOM 0 H21 DG A 2 4.562 1.987 5.023 1.00 8.00 H new ATOM 0 H22 DG A 2 2.909 1.797 4.430 1.00 8.00 H new ATOM 67 P DT A 3 11.970 -1.090 4.594 1.00 8.00 P ATOM 68 OP1 DT A 3 11.874 -0.843 6.048 1.00 8.00 O ATOM 69 OP2 DT A 3 13.278 -1.000 3.912 1.00 8.00 O ATOM 70 O5' DT A 3 11.315 -2.508 4.271 1.00 8.00 O ATOM 71 C5' DT A 3 12.037 -3.705 4.462 1.00 8.00 C ATOM 72 C4' DT A 3 11.164 -4.890 4.092 1.00 8.00 C ATOM 73 O4' DT A 3 10.031 -4.947 4.924 1.00 8.00 O ATOM 74 C3' DT A 3 10.599 -4.778 2.688 1.00 8.00 C ATOM 75 O3' DT A 3 11.400 -5.366 1.695 1.00 8.00 O ATOM 76 C2' DT A 3 9.301 -5.547 2.812 1.00 8.00 C ATOM 77 C1' DT A 3 9.129 -5.830 4.306 1.00 8.00 C ATOM 78 N1 DT A 3 7.741 -5.685 4.810 1.00 8.00 N ATOM 79 C2 DT A 3 7.540 -5.537 6.191 1.00 8.00 C ATOM 80 O2 DT A 3 8.422 -5.512 7.041 1.00 8.00 O ATOM 81 N3 DT A 3 6.237 -5.462 6.619 1.00 8.00 N ATOM 82 C4 DT A 3 5.116 -5.585 5.828 1.00 8.00 C ATOM 83 O4 DT A 3 4.010 -5.480 6.340 1.00 8.00 O ATOM 84 C5 DT A 3 5.395 -5.852 4.424 1.00 8.00 C ATOM 85 C7 DT A 3 4.258 -6.114 3.463 1.00 8.00 C ATOM 86 C6 DT A 3 6.669 -5.880 3.963 1.00 8.00 C ATOM 0 H5' DT A 3 12.357 -3.787 5.501 1.00 8.00 H new ATOM 0 H5'' DT A 3 12.939 -3.699 3.850 1.00 8.00 H new ATOM 0 H4' DT A 3 11.810 -5.763 4.188 1.00 8.00 H new ATOM 0 H3' DT A 3 10.511 -3.737 2.376 1.00 8.00 H new ATOM 0 H2' DT A 3 8.464 -4.967 2.424 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.339 -6.474 2.240 1.00 8.00 H new ATOM 0 H1' DT A 3 9.337 -6.876 4.532 1.00 8.00 H new ATOM 0 H3 DT A 3 6.085 -5.300 7.615 1.00 8.00 H new ATOM 0 H71 DT A 3 4.538 -5.774 2.466 1.00 8.00 H new ATOM 0 H72 DT A 3 4.044 -7.182 3.435 1.00 8.00 H new ATOM 0 H73 DT A 3 3.370 -5.575 3.794 1.00 8.00 H new ATOM 0 H6 DT A 3 6.849 -6.058 2.913 1.00 8.00 H new ATOM 99 P DT A 4 11.318 -4.827 0.181 1.00 8.00 P ATOM 100 OP1 DT A 4 12.105 -5.760 -0.651 1.00 8.00 O ATOM 101 OP2 DT A 4 11.621 -3.384 0.194 1.00 8.00 O ATOM 102 O5' DT A 4 9.757 -4.976 -0.205 1.00 8.00 O ATOM 103 C5' DT A 4 9.203 -6.209 -0.620 1.00 8.00 C ATOM 104 C4' DT A 4 7.721 -6.050 -0.958 1.00 8.00 C ATOM 105 O4' DT A 4 6.937 -5.597 0.126 1.00 8.00 O ATOM 106 C3' DT A 4 7.486 -5.114 -2.154 1.00 8.00 C ATOM 107 O3' DT A 4 6.538 -5.633 -3.068 1.00 8.00 O ATOM 108 C2' DT A 4 6.832 -3.954 -1.442 1.00 8.00 C ATOM 109 C1' DT A 4 5.977 -4.744 -0.465 1.00 8.00 C ATOM 110 N1 DT A 4 5.348 -3.897 0.547 1.00 8.00 N ATOM 111 C2 DT A 4 3.970 -3.695 0.518 1.00 8.00 C ATOM 112 O2 DT A 4 3.237 -4.088 -0.383 1.00 8.00 O ATOM 113 N3 DT A 4 3.439 -3.017 1.589 1.00 8.00 N ATOM 114 C4 DT A 4 4.145 -2.564 2.683 1.00 8.00 C ATOM 115 O4 DT A 4 3.530 -2.007 3.583 1.00 8.00 O ATOM 116 C5 DT A 4 5.587 -2.788 2.622 1.00 8.00 C ATOM 117 C7 DT A 4 6.448 -2.323 3.771 1.00 8.00 C ATOM 118 C6 DT A 4 6.137 -3.421 1.551 1.00 8.00 C ATOM 0 H5' DT A 4 9.323 -6.951 0.169 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.742 -6.580 -1.492 1.00 8.00 H new ATOM 0 H4' DT A 4 7.401 -7.060 -1.215 1.00 8.00 H new ATOM 0 H3' DT A 4 8.391 -4.916 -2.729 1.00 8.00 H new ATOM 0 H2' DT A 4 7.551 -3.303 -0.945 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.242 -3.326 -2.109 1.00 8.00 H new ATOM 0 H1' DT A 4 5.142 -5.254 -0.946 1.00 8.00 H new ATOM 0 H3 DT A 4 2.436 -2.833 1.573 1.00 8.00 H new ATOM 0 H71 DT A 4 5.993 -1.448 4.235 1.00 8.00 H new ATOM 0 H72 DT A 4 6.534 -3.122 4.508 1.00 8.00 H new ATOM 0 H73 DT A 4 7.440 -2.063 3.401 1.00 8.00 H new ATOM 0 H6 DT A 4 7.208 -3.547 1.496 1.00 8.00 H new ATOM 131 P DG A 5 6.946 -6.711 -4.186 1.00 8.00 P ATOM 132 OP1 DG A 5 7.169 -8.012 -3.523 1.00 8.00 O ATOM 133 OP2 DG A 5 8.004 -6.110 -5.026 1.00 8.00 O ATOM 134 O5' DG A 5 5.590 -6.825 -5.031 1.00 8.00 O ATOM 135 C5' DG A 5 5.276 -5.897 -6.041 1.00 8.00 C ATOM 136 C4' DG A 5 3.823 -6.086 -6.466 1.00 8.00 C ATOM 137 O4' DG A 5 2.942 -5.613 -5.460 1.00 8.00 O ATOM 138 C3' DG A 5 3.544 -5.262 -7.724 1.00 8.00 C ATOM 139 O3' DG A 5 2.698 -6.044 -8.550 1.00 8.00 O ATOM 140 C2' DG A 5 2.826 -4.047 -7.150 1.00 8.00 C ATOM 141 C1' DG A 5 2.006 -4.783 -6.101 1.00 8.00 C ATOM 142 N9 DG A 5 1.284 -3.962 -5.123 1.00 8.00 N ATOM 143 C8 DG A 5 -0.061 -4.053 -4.858 1.00 8.00 C ATOM 144 N7 DG A 5 -0.475 -3.365 -3.835 1.00 8.00 N ATOM 145 C5 DG A 5 0.716 -2.778 -3.410 1.00 8.00 C ATOM 146 C6 DG A 5 0.930 -1.927 -2.272 1.00 8.00 C ATOM 147 O6 DG A 5 0.095 -1.506 -1.466 1.00 8.00 O ATOM 148 N1 DG A 5 2.249 -1.548 -2.089 1.00 8.00 N ATOM 149 C2 DG A 5 3.271 -1.951 -2.895 1.00 8.00 C ATOM 150 N2 DG A 5 4.481 -1.528 -2.579 1.00 8.00 N ATOM 151 N3 DG A 5 3.106 -2.722 -3.977 1.00 8.00 N ATOM 152 C4 DG A 5 1.805 -3.118 -4.174 1.00 8.00 C ATOM 0 H5' DG A 5 5.938 -6.035 -6.896 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.432 -4.881 -5.678 1.00 8.00 H new ATOM 0 H4' DG A 5 3.664 -7.150 -6.643 1.00 8.00 H new ATOM 0 H3' DG A 5 4.407 -4.976 -8.325 1.00 8.00 H new ATOM 0 H2' DG A 5 3.506 -3.310 -6.722 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.212 -3.526 -7.885 1.00 8.00 H new ATOM 0 H1' DG A 5 1.188 -5.303 -6.599 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.728 -4.654 -5.458 1.00 8.00 H new ATOM 0 H1 DG A 5 2.468 -0.932 -1.306 1.00 8.00 H new ATOM 0 H21 DG A 5 5.282 -1.800 -3.149 1.00 8.00 H new ATOM 0 H22 DG A 5 4.615 -0.929 -1.765 1.00 8.00 H new ATOM 164 P DG A 6 2.267 -5.579 -10.027 1.00 8.00 P ATOM 165 OP1 DG A 6 1.661 -6.746 -10.698 1.00 8.00 O ATOM 166 OP2 DG A 6 3.417 -4.878 -10.632 1.00 8.00 O ATOM 167 O5' DG A 6 1.096 -4.498 -9.766 1.00 8.00 O ATOM 168 C5' DG A 6 -0.190 -4.904 -9.330 1.00 8.00 C ATOM 169 C4' DG A 6 -1.063 -3.730 -8.890 1.00 8.00 C ATOM 170 O4' DG A 6 -0.562 -3.149 -7.697 1.00 8.00 O ATOM 171 C3' DG A 6 -1.184 -2.622 -9.948 1.00 8.00 C ATOM 172 O3' DG A 6 -2.558 -2.359 -10.191 1.00 8.00 O ATOM 173 C2' DG A 6 -0.474 -1.466 -9.253 1.00 8.00 C ATOM 174 C1' DG A 6 -0.854 -1.778 -7.807 1.00 8.00 C ATOM 175 N9 DG A 6 -0.161 -0.993 -6.769 1.00 8.00 N ATOM 176 C8 DG A 6 1.162 -0.611 -6.647 1.00 8.00 C ATOM 177 N7 DG A 6 1.434 0.092 -5.587 1.00 8.00 N ATOM 178 C5 DG A 6 0.189 0.183 -4.979 1.00 8.00 C ATOM 179 C6 DG A 6 -0.163 0.814 -3.736 1.00 8.00 C ATOM 180 O6 DG A 6 0.575 1.386 -2.926 1.00 8.00 O ATOM 181 N1 DG A 6 -1.513 0.730 -3.434 1.00 8.00 N ATOM 182 C2 DG A 6 -2.423 0.070 -4.203 1.00 8.00 C ATOM 183 N2 DG A 6 -3.669 0.088 -3.774 1.00 8.00 N ATOM 184 N3 DG A 6 -2.121 -0.578 -5.333 1.00 8.00 N ATOM 185 C4 DG A 6 -0.795 -0.469 -5.674 1.00 8.00 C ATOM 0 H5' DG A 6 -0.084 -5.603 -8.500 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.690 -5.440 -10.137 1.00 8.00 H new ATOM 0 H4' DG A 6 -2.054 -4.154 -8.731 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.759 -2.846 -10.926 1.00 8.00 H new ATOM 0 H2' DG A 6 0.604 -1.476 -9.416 1.00 8.00 H new ATOM 0 H2'' DG A 6 -0.836 -0.492 -9.582 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.894 -1.510 -7.622 1.00 8.00 H new ATOM 0 H8 DG A 6 1.913 -0.876 -7.377 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.845 1.190 -2.586 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.398 -0.388 -4.305 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.904 0.578 -2.911 1.00 8.00 H new ATOM 197 P DT A 7 -3.071 -1.144 -11.123 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.342 -1.578 -11.737 1.00 8.00 O ATOM 199 OP2 DT A 7 -1.967 -0.659 -11.978 1.00 8.00 O ATOM 200 O5' DT A 7 -3.387 -0.043 -9.998 1.00 8.00 O ATOM 201 C5' DT A 7 -4.140 1.128 -10.279 1.00 8.00 C ATOM 202 C4' DT A 7 -5.139 1.416 -9.160 1.00 8.00 C ATOM 203 O4' DT A 7 -6.135 0.404 -9.187 1.00 8.00 O ATOM 204 C3' DT A 7 -4.514 1.436 -7.752 1.00 8.00 C ATOM 205 O3' DT A 7 -5.162 2.372 -6.912 1.00 8.00 O ATOM 206 C2' DT A 7 -4.859 0.045 -7.252 1.00 8.00 C ATOM 207 C1' DT A 7 -6.247 -0.105 -7.879 1.00 8.00 C ATOM 208 N1 DT A 7 -6.675 -1.514 -7.904 1.00 8.00 N ATOM 209 C2 DT A 7 -7.841 -1.863 -7.224 1.00 8.00 C ATOM 210 O2 DT A 7 -8.604 -1.054 -6.710 1.00 8.00 O ATOM 211 N3 DT A 7 -8.124 -3.207 -7.132 1.00 8.00 N ATOM 212 C4 DT A 7 -7.358 -4.230 -7.655 1.00 8.00 C ATOM 213 O4 DT A 7 -7.705 -5.391 -7.460 1.00 8.00 O ATOM 214 C5 DT A 7 -6.183 -3.784 -8.398 1.00 8.00 C ATOM 215 C7 DT A 7 -5.263 -4.789 -9.052 1.00 8.00 C ATOM 216 C6 DT A 7 -5.883 -2.467 -8.497 1.00 8.00 C ATOM 0 H5' DT A 7 -4.671 1.006 -11.223 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.468 1.977 -10.399 1.00 8.00 H new ATOM 0 H4' DT A 7 -5.541 2.413 -9.342 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.455 1.696 -7.761 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.157 -0.713 -7.600 1.00 8.00 H new ATOM 0 H2'' DT A 7 -4.881 -0.017 -6.164 1.00 8.00 H new ATOM 0 H1' DT A 7 -6.998 0.432 -7.300 1.00 8.00 H new ATOM 0 H3 DT A 7 -8.974 -3.470 -6.634 1.00 8.00 H new ATOM 0 H71 DT A 7 -4.810 -4.345 -9.938 1.00 8.00 H new ATOM 0 H72 DT A 7 -4.481 -5.077 -8.350 1.00 8.00 H new ATOM 0 H73 DT A 7 -5.834 -5.671 -9.340 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.008 -2.161 -9.051 1.00 8.00 H new ATOM 229 P DG A 8 -4.857 3.955 -6.976 1.00 8.00 P ATOM 230 OP1 DG A 8 -6.111 4.643 -6.619 1.00 8.00 O ATOM 231 OP2 DG A 8 -4.183 4.255 -8.257 1.00 8.00 O ATOM 232 O5' DG A 8 -3.786 4.186 -5.802 1.00 8.00 O ATOM 233 C5' DG A 8 -4.149 4.022 -4.447 1.00 8.00 C ATOM 234 C4' DG A 8 -3.068 4.541 -3.507 1.00 8.00 C ATOM 235 O4' DG A 8 -1.892 3.760 -3.591 1.00 8.00 O ATOM 236 C3' DG A 8 -2.716 6.000 -3.762 1.00 8.00 C ATOM 237 O3' DG A 8 -2.842 6.715 -2.553 1.00 8.00 O ATOM 238 C2' DG A 8 -1.264 6.007 -4.183 1.00 8.00 C ATOM 239 C1' DG A 8 -0.784 4.582 -3.915 1.00 8.00 C ATOM 240 N9 DG A 8 -0.129 4.044 -5.116 1.00 8.00 N ATOM 241 C8 DG A 8 -0.698 3.378 -6.170 1.00 8.00 C ATOM 242 N7 DG A 8 0.144 3.028 -7.099 1.00 8.00 N ATOM 243 C5 DG A 8 1.364 3.516 -6.632 1.00 8.00 C ATOM 244 C6 DG A 8 2.682 3.438 -7.186 1.00 8.00 C ATOM 245 O6 DG A 8 3.058 2.946 -8.243 1.00 8.00 O ATOM 246 N1 DG A 8 3.653 3.983 -6.367 1.00 8.00 N ATOM 247 C2 DG A 8 3.382 4.637 -5.204 1.00 8.00 C ATOM 248 N2 DG A 8 4.407 5.153 -4.571 1.00 8.00 N ATOM 249 N3 DG A 8 2.168 4.768 -4.672 1.00 8.00 N ATOM 250 C4 DG A 8 1.202 4.160 -5.424 1.00 8.00 C ATOM 0 H5' DG A 8 -4.331 2.967 -4.244 1.00 8.00 H new ATOM 0 H5'' DG A 8 -5.083 4.550 -4.254 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.488 4.463 -2.504 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.362 6.451 -4.515 1.00 8.00 H new ATOM 0 H2' DG A 8 -1.157 6.271 -5.235 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.688 6.735 -3.611 1.00 8.00 H new ATOM 0 H1' DG A 8 -0.077 4.596 -3.085 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.755 3.162 -6.225 1.00 8.00 H new ATOM 0 H1 DG A 8 4.628 3.890 -6.650 1.00 8.00 H new ATOM 0 H21 DG A 8 4.265 5.655 -3.694 1.00 8.00 H new ATOM 0 H22 DG A 8 5.347 5.053 -4.955 1.00 8.00 H new ATOM 262 P DT A 9 -3.988 7.815 -2.383 1.00 8.00 P ATOM 263 OP1 DT A 9 -5.061 7.524 -3.356 1.00 8.00 O ATOM 264 OP2 DT A 9 -3.322 9.128 -2.366 1.00 8.00 O ATOM 265 O5' DT A 9 -4.543 7.548 -0.908 1.00 8.00 O ATOM 266 C5' DT A 9 -5.492 6.543 -0.618 1.00 8.00 C ATOM 267 C4' DT A 9 -5.863 6.569 0.865 1.00 8.00 C ATOM 268 O4' DT A 9 -4.722 6.228 1.618 1.00 8.00 O ATOM 269 C3' DT A 9 -6.347 7.930 1.369 1.00 8.00 C ATOM 270 O3' DT A 9 -7.268 7.760 2.431 1.00 8.00 O ATOM 271 C2' DT A 9 -5.080 8.562 1.900 1.00 8.00 C ATOM 272 C1' DT A 9 -4.294 7.344 2.371 1.00 8.00 C ATOM 273 N1 DT A 9 -2.847 7.581 2.210 1.00 8.00 N ATOM 274 C2 DT A 9 -2.211 8.435 3.111 1.00 8.00 C ATOM 275 O2 DT A 9 -2.773 8.960 4.063 1.00 8.00 O ATOM 276 N3 DT A 9 -0.870 8.673 2.910 1.00 8.00 N ATOM 277 C4 DT A 9 -0.095 8.090 1.929 1.00 8.00 C ATOM 278 O4 DT A 9 1.101 8.356 1.878 1.00 8.00 O ATOM 279 C5 DT A 9 -0.820 7.190 1.036 1.00 8.00 C ATOM 280 C7 DT A 9 -0.110 6.496 -0.104 1.00 8.00 C ATOM 281 C6 DT A 9 -2.149 6.986 1.186 1.00 8.00 C ATOM 0 H5' DT A 9 -5.087 5.566 -0.881 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.385 6.692 -1.225 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.686 5.864 0.984 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.848 8.519 0.601 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.547 9.119 1.129 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.281 9.258 2.714 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.475 7.155 3.429 1.00 8.00 H new ATOM 0 H3 DT A 9 -0.412 9.334 3.537 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.591 5.539 -0.303 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.159 7.120 -0.997 1.00 8.00 H new ATOM 0 H73 DT A 9 0.933 6.329 0.165 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.670 6.345 0.490 1.00 8.00 H new ATOM 294 P DG A 10 -8.855 7.762 2.166 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.158 8.885 1.257 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.522 7.669 3.483 1.00 8.00 O ATOM 297 O5' DG A 10 -9.137 6.392 1.363 1.00 8.00 O ATOM 298 C5' DG A 10 -9.118 5.138 2.014 1.00 8.00 C ATOM 299 C4' DG A 10 -9.491 4.025 1.039 1.00 8.00 C ATOM 300 O4' DG A 10 -8.365 3.748 0.214 1.00 8.00 O ATOM 301 C3' DG A 10 -9.840 2.721 1.772 1.00 8.00 C ATOM 302 O3' DG A 10 -10.905 2.084 1.078 1.00 8.00 O ATOM 303 C2' DG A 10 -8.549 1.936 1.618 1.00 8.00 C ATOM 304 C1' DG A 10 -8.225 2.346 0.194 1.00 8.00 C ATOM 305 N9 DG A 10 -6.882 1.908 -0.247 1.00 8.00 N ATOM 306 C8 DG A 10 -6.535 1.090 -1.309 1.00 8.00 C ATOM 307 N7 DG A 10 -5.265 1.054 -1.571 1.00 8.00 N ATOM 308 C5 DG A 10 -4.737 1.843 -0.561 1.00 8.00 C ATOM 309 C6 DG A 10 -3.361 2.162 -0.304 1.00 8.00 C ATOM 310 O6 DG A 10 -2.363 1.825 -0.948 1.00 8.00 O ATOM 311 N1 DG A 10 -3.167 2.918 0.840 1.00 8.00 N ATOM 312 C2 DG A 10 -4.168 3.260 1.694 1.00 8.00 C ATOM 313 N2 DG A 10 -3.810 3.824 2.830 1.00 8.00 N ATOM 314 N3 DG A 10 -5.461 3.004 1.470 1.00 8.00 N ATOM 315 C4 DG A 10 -5.688 2.304 0.311 1.00 8.00 C ATOM 0 H5' DG A 10 -9.816 5.145 2.851 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.127 4.951 2.427 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.355 4.361 0.466 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.159 2.834 2.808 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.781 2.234 2.332 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.688 0.861 1.730 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.884 1.871 -0.532 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.263 0.527 -1.874 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.221 3.236 1.054 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.520 4.101 3.508 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.823 3.984 3.031 1.00 8.00 H new ATOM 327 P DG A 11 -11.636 0.752 1.625 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.940 0.671 0.935 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.565 0.785 3.101 1.00 8.00 O ATOM 330 O5' DG A 11 -10.712 -0.463 1.109 1.00 8.00 O ATOM 331 C5' DG A 11 -10.715 -0.885 -0.243 1.00 8.00 C ATOM 332 C4' DG A 11 -9.681 -1.983 -0.469 1.00 8.00 C ATOM 333 O4' DG A 11 -8.374 -1.444 -0.332 1.00 8.00 O ATOM 334 C3' DG A 11 -9.816 -3.164 0.504 1.00 8.00 C ATOM 335 O3' DG A 11 -9.914 -4.406 -0.157 1.00 8.00 O ATOM 336 C2' DG A 11 -8.497 -3.169 1.251 1.00 8.00 C ATOM 337 C1' DG A 11 -7.585 -2.452 0.261 1.00 8.00 C ATOM 338 N9 DG A 11 -6.330 -1.892 0.789 1.00 8.00 N ATOM 339 C8 DG A 11 -6.099 -1.178 1.942 1.00 8.00 C ATOM 340 N7 DG A 11 -4.890 -0.732 2.082 1.00 8.00 N ATOM 341 C5 DG A 11 -4.270 -1.220 0.944 1.00 8.00 C ATOM 342 C6 DG A 11 -2.892 -1.099 0.556 1.00 8.00 C ATOM 343 O6 DG A 11 -1.978 -0.511 1.151 1.00 8.00 O ATOM 344 N1 DG A 11 -2.596 -1.743 -0.635 1.00 8.00 N ATOM 345 C2 DG A 11 -3.500 -2.477 -1.348 1.00 8.00 C ATOM 346 N2 DG A 11 -3.061 -3.079 -2.440 1.00 8.00 N ATOM 347 N3 DG A 11 -4.788 -2.621 -1.003 1.00 8.00 N ATOM 348 C4 DG A 11 -5.114 -1.959 0.154 1.00 8.00 C ATOM 0 H5' DG A 11 -10.500 -0.037 -0.894 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.706 -1.251 -0.512 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.858 -2.362 -1.476 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.710 -3.048 1.117 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.563 -2.643 2.203 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.152 -4.180 1.468 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.220 -3.200 -0.443 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.870 -1.002 2.678 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.647 -1.664 -1.000 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.699 -3.639 -3.005 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.084 -2.984 -2.717 1.00 8.00 H new ATOM 360 P DT A 12 -10.855 -5.562 0.448 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.440 -6.839 -0.164 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.251 -5.094 0.326 1.00 8.00 O ATOM 363 O5' DT A 12 -10.455 -5.610 2.016 1.00 8.00 O ATOM 364 C5' DT A 12 -11.446 -5.659 3.029 1.00 8.00 C ATOM 365 C4' DT A 12 -10.879 -5.836 4.435 1.00 8.00 C ATOM 366 O4' DT A 12 -10.181 -7.062 4.512 1.00 8.00 O ATOM 367 C3' DT A 12 -9.964 -4.702 4.895 1.00 8.00 C ATOM 368 O3' DT A 12 -10.315 -4.338 6.212 1.00 8.00 O ATOM 369 C2' DT A 12 -8.573 -5.307 4.898 1.00 8.00 C ATOM 370 C1' DT A 12 -8.821 -6.810 4.791 1.00 8.00 C ATOM 371 N1 DT A 12 -7.992 -7.501 3.782 1.00 8.00 N ATOM 372 C2 DT A 12 -7.483 -8.756 4.126 1.00 8.00 C ATOM 373 O2 DT A 12 -7.664 -9.293 5.214 1.00 8.00 O ATOM 374 N3 DT A 12 -6.741 -9.409 3.169 1.00 8.00 N ATOM 375 C4 DT A 12 -6.532 -8.973 1.880 1.00 8.00 C ATOM 376 O4 DT A 12 -5.909 -9.691 1.109 1.00 8.00 O ATOM 377 C5 DT A 12 -7.106 -7.666 1.580 1.00 8.00 C ATOM 378 C7 DT A 12 -6.970 -7.094 0.185 1.00 8.00 C ATOM 379 C6 DT A 12 -7.788 -6.977 2.525 1.00 8.00 C ATOM 0 H5' DT A 12 -12.130 -6.481 2.817 1.00 8.00 H new ATOM 0 H5'' DT A 12 -12.032 -4.740 2.996 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.737 -5.825 5.108 1.00 8.00 H new ATOM 0 H3' DT A 12 -10.033 -3.819 4.260 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.977 -4.941 4.062 1.00 8.00 H new ATOM 0 H2'' DT A 12 -8.031 -5.056 5.810 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.533 -7.215 5.761 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.308 -10.293 3.438 1.00 8.00 H new ATOM 0 H71 DT A 12 -7.827 -6.456 -0.032 1.00 8.00 H new ATOM 0 H72 DT A 12 -6.054 -6.507 0.120 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.931 -7.907 -0.540 1.00 8.00 H new ATOM 0 H6 DT A 12 -8.179 -5.998 2.289 1.00 8.00 H new ATOM 392 P DT A 13 -10.095 -2.842 6.755 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.670 -2.784 8.115 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.555 -1.904 5.716 1.00 8.00 O ATOM 395 O5' DT A 13 -8.503 -2.664 6.869 1.00 8.00 O ATOM 396 C5' DT A 13 -7.792 -3.157 7.987 1.00 8.00 C ATOM 397 C4' DT A 13 -6.314 -2.802 7.890 1.00 8.00 C ATOM 398 O4' DT A 13 -5.739 -3.356 6.726 1.00 8.00 O ATOM 399 C3' DT A 13 -6.053 -1.281 7.871 1.00 8.00 C ATOM 400 O3' DT A 13 -4.981 -0.912 8.714 1.00 8.00 O ATOM 401 C2' DT A 13 -5.531 -1.104 6.460 1.00 8.00 C ATOM 402 C1' DT A 13 -4.782 -2.400 6.336 1.00 8.00 C ATOM 403 N1 DT A 13 -4.108 -2.678 5.062 1.00 8.00 N ATOM 404 C2 DT A 13 -2.757 -2.365 4.919 1.00 8.00 C ATOM 405 O2 DT A 13 -2.114 -1.746 5.754 1.00 8.00 O ATOM 406 N3 DT A 13 -2.135 -2.828 3.780 1.00 8.00 N ATOM 407 C4 DT A 13 -2.706 -3.656 2.835 1.00 8.00 C ATOM 408 O4 DT A 13 -2.029 -4.039 1.887 1.00 8.00 O ATOM 409 C5 DT A 13 -4.100 -3.997 3.101 1.00 8.00 C ATOM 410 C7 DT A 13 -4.824 -4.969 2.205 1.00 8.00 C ATOM 411 C6 DT A 13 -4.747 -3.478 4.176 1.00 8.00 C ATOM 0 H5' DT A 13 -7.907 -4.239 8.048 1.00 8.00 H new ATOM 0 H5'' DT A 13 -8.211 -2.740 8.903 1.00 8.00 H new ATOM 0 H4' DT A 13 -5.857 -3.220 8.787 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.931 -0.710 8.174 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.328 -1.004 5.723 1.00 8.00 H new ATOM 0 H2'' DT A 13 -4.887 -0.231 6.353 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.892 -2.393 6.965 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.171 -2.534 3.622 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.416 -4.907 1.196 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.694 -5.982 2.587 1.00 8.00 H new ATOM 0 H73 DT A 13 -5.886 -4.723 2.183 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.791 -3.708 4.327 1.00 8.00 H new ATOM 424 P DG A 14 -5.200 -0.232 10.147 1.00 8.00 P ATOM 425 OP1 DG A 14 -5.017 -1.281 11.168 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.444 0.571 10.103 1.00 8.00 O ATOM 427 O5' DG A 14 -3.937 0.764 10.210 1.00 8.00 O ATOM 428 C5' DG A 14 -3.988 2.060 9.646 1.00 8.00 C ATOM 429 C4' DG A 14 -2.611 2.719 9.687 1.00 8.00 C ATOM 430 O4' DG A 14 -1.750 2.094 8.758 1.00 8.00 O ATOM 431 C3' DG A 14 -2.678 4.209 9.347 1.00 8.00 C ATOM 432 O3' DG A 14 -1.920 4.925 10.314 1.00 8.00 O ATOM 433 C2' DG A 14 -1.990 4.226 7.998 1.00 8.00 C ATOM 434 C1' DG A 14 -0.981 3.131 8.217 1.00 8.00 C ATOM 435 N9 DG A 14 -0.333 2.746 6.963 1.00 8.00 N ATOM 436 C8 DG A 14 0.954 3.024 6.613 1.00 8.00 C ATOM 437 N7 DG A 14 1.371 2.440 5.525 1.00 8.00 N ATOM 438 C5 DG A 14 0.198 1.825 5.080 1.00 8.00 C ATOM 439 C6 DG A 14 -0.043 1.106 3.855 1.00 8.00 C ATOM 440 O6 DG A 14 0.758 0.833 2.958 1.00 8.00 O ATOM 441 N1 DG A 14 -1.368 0.734 3.666 1.00 8.00 N ATOM 442 C2 DG A 14 -2.367 1.060 4.537 1.00 8.00 C ATOM 443 N2 DG A 14 -3.600 0.763 4.181 1.00 8.00 N ATOM 444 N3 DG A 14 -2.183 1.732 5.675 1.00 8.00 N ATOM 445 C4 DG A 14 -0.875 2.071 5.900 1.00 8.00 C ATOM 0 H5' DG A 14 -4.706 2.672 10.192 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.338 2.000 8.615 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.234 2.607 10.704 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.674 4.652 9.336 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.673 4.008 7.177 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.524 5.187 7.778 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.158 3.424 8.869 1.00 8.00 H new ATOM 0 H8 DG A 14 1.583 3.681 7.195 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.606 0.191 2.836 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.378 0.988 4.801 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.777 0.308 3.285 1.00 8.00 H new ATOM 457 P DG A 15 -1.917 6.538 10.398 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.399 6.923 11.727 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.233 7.023 9.937 1.00 8.00 O ATOM 460 O5' DG A 15 -0.833 6.985 9.295 1.00 8.00 O ATOM 461 C5' DG A 15 0.552 6.782 9.487 1.00 8.00 C ATOM 462 C4' DG A 15 1.372 7.303 8.306 1.00 8.00 C ATOM 463 O4' DG A 15 1.319 6.365 7.238 1.00 8.00 O ATOM 464 C3' DG A 15 0.893 8.664 7.776 1.00 8.00 C ATOM 465 O3' DG A 15 1.975 9.517 7.447 1.00 8.00 O ATOM 466 C2' DG A 15 0.114 8.268 6.534 1.00 8.00 C ATOM 467 C1' DG A 15 0.906 7.048 6.071 1.00 8.00 C ATOM 468 N9 DG A 15 0.236 6.137 5.143 1.00 8.00 N ATOM 469 C8 DG A 15 -1.098 5.881 4.970 1.00 8.00 C ATOM 470 N7 DG A 15 -1.391 5.073 3.991 1.00 8.00 N ATOM 471 C5 DG A 15 -0.124 4.811 3.473 1.00 8.00 C ATOM 472 C6 DG A 15 0.241 4.032 2.325 1.00 8.00 C ATOM 473 O6 DG A 15 -0.494 3.387 1.573 1.00 8.00 O ATOM 474 N1 DG A 15 1.595 4.061 2.031 1.00 8.00 N ATOM 475 C2 DG A 15 2.520 4.733 2.771 1.00 8.00 C ATOM 476 N2 DG A 15 3.771 4.652 2.360 1.00 8.00 N ATOM 477 N3 DG A 15 2.221 5.450 3.861 1.00 8.00 N ATOM 478 C4 DG A 15 0.879 5.455 4.148 1.00 8.00 C ATOM 0 H5' DG A 15 0.748 5.719 9.624 1.00 8.00 H new ATOM 0 H5'' DG A 15 0.870 7.285 10.400 1.00 8.00 H new ATOM 0 H4' DG A 15 2.388 7.435 8.677 1.00 8.00 H new ATOM 0 H3' DG A 15 0.311 9.227 8.506 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.924 8.025 6.759 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.101 9.060 5.785 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.629 10.371 7.113 1.00 8.00 H new ATOM 0 H1' DG A 15 1.737 7.420 5.471 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.856 6.319 5.602 1.00 8.00 H new ATOM 0 H1 DG A 15 1.918 3.548 1.211 1.00 8.00 H new ATOM 0 H21 DG A 15 4.509 5.134 2.873 1.00 8.00 H new ATOM 0 H22 DG A 15 4.000 4.107 1.529 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.842 8.125 -0.062 1.00 8.00 C HETATM 493 C5 1CF A 101 4.527 7.393 -1.377 1.00 8.00 C HETATM 494 C6 1CF A 101 3.270 6.551 -1.339 1.00 8.00 C HETATM 495 C11 1CF A 101 8.100 6.475 -4.645 1.00 8.00 C HETATM 496 C12 1CF A 101 8.800 6.753 -3.315 1.00 8.00 C HETATM 497 C3 1CF A 101 6.170 8.882 -0.230 1.00 8.00 C HETATM 498 O11 1CF A 101 8.953 6.567 -5.769 1.00 8.00 O HETATM 499 C1 1CF A 101 6.916 7.221 -1.904 1.00 8.00 C HETATM 500 C2 1CF A 101 7.281 7.919 -0.605 1.00 8.00 C HETATM 501 O2 1CF A 101 8.471 8.698 -0.794 1.00 8.00 O HETATM 502 O3 1CF A 101 6.640 9.551 0.956 1.00 8.00 O HETATM 503 O4 1CF A 101 4.970 7.135 0.976 1.00 8.00 O HETATM 504 O5 1CF A 101 5.642 6.503 -1.736 1.00 8.00 O HETATM 505 O1 1CF A 101 8.002 6.311 -2.231 1.00 8.00 O