USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 127 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 71:sc= 1.33 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.17 (180deg=-1.17) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0719 (180deg=-0.0719) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.117 -1.063 -0.755 1.00 0.00 O ATOM 2 C5' DG A 1 -8.203 -1.749 -0.153 1.00 0.00 C ATOM 3 C4' DG A 1 -8.913 -0.955 0.960 1.00 0.00 C ATOM 4 O4' DG A 1 -8.128 -0.960 2.144 1.00 0.00 O ATOM 5 C3' DG A 1 -9.207 0.507 0.570 1.00 0.00 C ATOM 6 O3' DG A 1 -10.565 0.929 0.750 1.00 0.00 O ATOM 7 C2' DG A 1 -8.162 1.284 1.364 1.00 0.00 C ATOM 8 C1' DG A 1 -7.822 0.368 2.538 1.00 0.00 C ATOM 9 N9 DG A 1 -6.410 0.406 2.987 1.00 0.00 N ATOM 10 C8 DG A 1 -5.973 0.538 4.281 1.00 0.00 C ATOM 11 N7 DG A 1 -4.683 0.413 4.434 1.00 0.00 N ATOM 12 C5 DG A 1 -4.221 0.178 3.129 1.00 0.00 C ATOM 13 C6 DG A 1 -2.897 -0.043 2.605 1.00 0.00 C ATOM 14 O6 DG A 1 -1.820 -0.083 3.201 1.00 0.00 O ATOM 15 N1 DG A 1 -2.864 -0.234 1.238 1.00 0.00 N ATOM 16 C2 DG A 1 -3.962 -0.220 0.450 1.00 0.00 C ATOM 17 N2 DG A 1 -3.807 -0.413 -0.831 1.00 0.00 N ATOM 18 N3 DG A 1 -5.200 -0.022 0.886 1.00 0.00 N ATOM 19 C4 DG A 1 -5.274 0.173 2.239 1.00 0.00 C ATOM 0 H5' DG A 1 -7.839 -2.689 0.262 1.00 0.00 H new ATOM 0 H5'' DG A 1 -8.931 -2.002 -0.924 1.00 0.00 H new ATOM 0 H4' DG A 1 -9.868 -1.454 1.125 1.00 0.00 H new ATOM 0 H3' DG A 1 -9.122 0.680 -0.503 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.281 1.499 0.759 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.554 2.241 1.707 1.00 0.00 H new ATOM 0 HO5' DG A 1 -6.370 -1.015 -0.123 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.408 0.722 3.386 1.00 0.00 H new ATOM 0 H8 DG A 1 -6.643 0.730 5.106 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.958 -0.395 0.797 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.618 -0.408 -1.449 1.00 0.00 H new ATOM 0 H22 DG A 1 -2.875 -0.569 -1.214 1.00 0.00 H new ATOM 32 P DG A 2 -11.291 1.210 2.156 1.00 0.00 P ATOM 33 OP1 DG A 2 -11.013 0.120 3.119 1.00 0.00 O ATOM 34 OP2 DG A 2 -12.701 1.555 1.858 1.00 0.00 O ATOM 35 O5' DG A 2 -10.596 2.556 2.665 1.00 0.00 O ATOM 36 C5' DG A 2 -10.567 2.921 4.034 1.00 0.00 C ATOM 37 C4' DG A 2 -9.697 4.154 4.350 1.00 0.00 C ATOM 38 O4' DG A 2 -8.335 3.727 4.398 1.00 0.00 O ATOM 39 C3' DG A 2 -9.817 5.309 3.328 1.00 0.00 C ATOM 40 O3' DG A 2 -10.058 6.636 3.808 1.00 0.00 O ATOM 41 C2' DG A 2 -8.494 5.218 2.595 1.00 0.00 C ATOM 42 C1' DG A 2 -7.555 4.651 3.661 1.00 0.00 C ATOM 43 N9 DG A 2 -6.325 4.069 3.079 1.00 0.00 N ATOM 44 C8 DG A 2 -6.074 3.704 1.777 1.00 0.00 C ATOM 45 N7 DG A 2 -4.841 3.381 1.531 1.00 0.00 N ATOM 46 C5 DG A 2 -4.217 3.547 2.770 1.00 0.00 C ATOM 47 C6 DG A 2 -2.857 3.357 3.170 1.00 0.00 C ATOM 48 O6 DG A 2 -1.903 2.990 2.490 1.00 0.00 O ATOM 49 N1 DG A 2 -2.619 3.630 4.501 1.00 0.00 N ATOM 50 C2 DG A 2 -3.587 4.040 5.356 1.00 0.00 C ATOM 51 N2 DG A 2 -3.249 4.270 6.598 1.00 0.00 N ATOM 52 N3 DG A 2 -4.859 4.232 5.041 1.00 0.00 N ATOM 53 C4 DG A 2 -5.117 3.967 3.723 1.00 0.00 C ATOM 0 H5' DG A 2 -10.200 2.075 4.615 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.586 3.117 4.366 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.053 4.556 5.299 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.721 5.170 2.736 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.558 4.566 1.724 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.161 6.193 2.239 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.170 5.430 4.319 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.843 3.687 1.019 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.670 3.518 4.858 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.952 4.580 7.269 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.282 4.140 6.896 1.00 0.00 H new ATOM 65 P DT A 3 -9.163 7.442 4.875 1.00 0.00 P ATOM 66 OP1 DT A 3 -8.989 6.607 6.073 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.814 8.756 5.078 1.00 0.00 O ATOM 68 O5' DT A 3 -7.714 7.713 4.238 1.00 0.00 O ATOM 69 C5' DT A 3 -7.517 8.677 3.217 1.00 0.00 C ATOM 70 C4' DT A 3 -6.044 8.910 2.838 1.00 0.00 C ATOM 71 O4' DT A 3 -5.380 9.589 3.892 1.00 0.00 O ATOM 72 C3' DT A 3 -5.194 7.693 2.468 1.00 0.00 C ATOM 73 O3' DT A 3 -4.283 8.070 1.455 1.00 0.00 O ATOM 74 C2' DT A 3 -4.417 7.403 3.738 1.00 0.00 C ATOM 75 C1' DT A 3 -4.278 8.806 4.327 1.00 0.00 C ATOM 76 N1 DT A 3 -4.248 8.782 5.809 1.00 0.00 N ATOM 77 C2 DT A 3 -3.155 9.372 6.455 1.00 0.00 C ATOM 78 O2 DT A 3 -2.229 9.944 5.883 1.00 0.00 O ATOM 79 N3 DT A 3 -3.136 9.313 7.827 1.00 0.00 N ATOM 80 C4 DT A 3 -4.114 8.760 8.617 1.00 0.00 C ATOM 81 O4 DT A 3 -3.980 8.828 9.838 1.00 0.00 O ATOM 82 C5 DT A 3 -5.237 8.167 7.892 1.00 0.00 C ATOM 83 C7 DT A 3 -6.388 7.529 8.652 1.00 0.00 C ATOM 84 C6 DT A 3 -5.273 8.197 6.532 1.00 0.00 C ATOM 0 H5' DT A 3 -7.951 9.624 3.539 1.00 0.00 H new ATOM 0 H5'' DT A 3 -8.063 8.363 2.327 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.126 9.487 1.917 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.780 6.844 2.115 1.00 0.00 H new ATOM 0 H2' DT A 3 -4.954 6.728 4.404 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.449 6.945 3.533 1.00 0.00 H new ATOM 0 H1' DT A 3 -3.335 9.232 3.984 1.00 0.00 H new ATOM 0 H3 DT A 3 -2.326 9.714 8.300 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.306 7.628 8.073 1.00 0.00 H new ATOM 0 H72 DT A 3 -6.175 6.473 8.816 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.510 8.028 9.613 1.00 0.00 H new ATOM 0 H6 DT A 3 -6.111 7.759 6.011 1.00 0.00 H new ATOM 97 P DT A 4 -3.641 6.970 0.504 1.00 0.00 P ATOM 98 OP1 DT A 4 -4.730 6.512 -0.379 1.00 0.00 O ATOM 99 OP2 DT A 4 -2.901 5.990 1.326 1.00 0.00 O ATOM 100 O5' DT A 4 -2.569 7.798 -0.343 1.00 0.00 O ATOM 101 C5' DT A 4 -1.703 7.121 -1.242 1.00 0.00 C ATOM 102 C4' DT A 4 -1.607 7.793 -2.612 1.00 0.00 C ATOM 103 O4' DT A 4 -2.950 7.979 -3.040 1.00 0.00 O ATOM 104 C3' DT A 4 -0.923 9.163 -2.553 1.00 0.00 C ATOM 105 O3' DT A 4 -0.003 9.506 -3.593 1.00 0.00 O ATOM 106 C2' DT A 4 -2.092 10.117 -2.391 1.00 0.00 C ATOM 107 C1' DT A 4 -3.295 9.353 -2.984 1.00 0.00 C ATOM 108 N1 DT A 4 -4.632 9.587 -2.329 1.00 0.00 N ATOM 109 C2 DT A 4 -5.760 9.362 -3.136 1.00 0.00 C ATOM 110 O2 DT A 4 -5.735 8.838 -4.252 1.00 0.00 O ATOM 111 N3 DT A 4 -6.979 9.791 -2.663 1.00 0.00 N ATOM 112 C4 DT A 4 -7.196 10.475 -1.496 1.00 0.00 C ATOM 113 O4 DT A 4 -8.352 10.768 -1.193 1.00 0.00 O ATOM 114 C5 DT A 4 -5.992 10.754 -0.724 1.00 0.00 C ATOM 115 C7 DT A 4 -6.081 11.611 0.531 1.00 0.00 C ATOM 116 C6 DT A 4 -4.786 10.263 -1.122 1.00 0.00 C ATOM 0 H5' DT A 4 -2.053 6.097 -1.371 1.00 0.00 H new ATOM 0 H5'' DT A 4 -0.707 7.064 -0.803 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.013 7.173 -3.283 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.208 9.195 -1.731 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.258 10.368 -1.343 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.917 11.054 -2.919 1.00 0.00 H new ATOM 0 H1' DT A 4 -3.468 9.761 -3.980 1.00 0.00 H new ATOM 0 H3 DT A 4 -7.797 9.580 -3.234 1.00 0.00 H new ATOM 0 H71 DT A 4 -5.309 11.304 1.237 1.00 0.00 H new ATOM 0 H72 DT A 4 -5.936 12.659 0.267 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.062 11.484 0.989 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.926 10.402 -0.484 1.00 0.00 H new ATOM 129 P DG A 5 -0.296 9.580 -5.174 1.00 0.00 P ATOM 130 OP1 DG A 5 0.864 10.300 -5.747 1.00 0.00 O ATOM 131 OP2 DG A 5 -1.636 10.139 -5.430 1.00 0.00 O ATOM 132 O5' DG A 5 -0.203 8.092 -5.740 1.00 0.00 O ATOM 133 C5' DG A 5 -1.345 7.333 -6.113 1.00 0.00 C ATOM 134 C4' DG A 5 -0.907 5.954 -6.602 1.00 0.00 C ATOM 135 O4' DG A 5 -0.048 5.383 -5.629 1.00 0.00 O ATOM 136 C3' DG A 5 -2.066 4.979 -6.855 1.00 0.00 C ATOM 137 O3' DG A 5 -1.851 4.403 -8.141 1.00 0.00 O ATOM 138 C2' DG A 5 -1.944 4.039 -5.659 1.00 0.00 C ATOM 139 C1' DG A 5 -0.448 4.058 -5.336 1.00 0.00 C ATOM 140 N9 DG A 5 -0.022 3.776 -3.933 1.00 0.00 N ATOM 141 C8 DG A 5 1.285 3.803 -3.523 1.00 0.00 C ATOM 142 N7 DG A 5 1.471 3.803 -2.228 1.00 0.00 N ATOM 143 C5 DG A 5 0.166 3.772 -1.725 1.00 0.00 C ATOM 144 C6 DG A 5 -0.319 3.754 -0.368 1.00 0.00 C ATOM 145 O6 DG A 5 0.337 3.764 0.680 1.00 0.00 O ATOM 146 N1 DG A 5 -1.698 3.722 -0.279 1.00 0.00 N ATOM 147 C2 DG A 5 -2.514 3.707 -1.357 1.00 0.00 C ATOM 148 N2 DG A 5 -3.795 3.676 -1.156 1.00 0.00 N ATOM 149 N3 DG A 5 -2.109 3.722 -2.617 1.00 0.00 N ATOM 150 C4 DG A 5 -0.752 3.756 -2.756 1.00 0.00 C ATOM 0 H5' DG A 5 -1.897 7.850 -6.898 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.020 7.231 -5.263 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.411 6.107 -7.560 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.080 5.375 -6.903 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.541 4.385 -4.815 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.289 3.034 -5.902 1.00 0.00 H new ATOM 0 H1' DG A 5 0.003 3.248 -5.910 1.00 0.00 H new ATOM 0 H8 DG A 5 2.107 3.823 -4.223 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.122 3.709 0.648 1.00 0.00 H new ATOM 0 H21 DG A 5 -4.436 3.664 -1.950 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.162 3.664 -0.204 1.00 0.00 H new ATOM 162 P DG A 6 -2.649 3.145 -8.713 1.00 0.00 P ATOM 163 OP1 DG A 6 -2.565 3.219 -10.187 1.00 0.00 O ATOM 164 OP2 DG A 6 -3.981 3.102 -8.071 1.00 0.00 O ATOM 165 O5' DG A 6 -1.709 1.936 -8.242 1.00 0.00 O ATOM 166 C5' DG A 6 -0.352 1.897 -8.688 1.00 0.00 C ATOM 167 C4' DG A 6 0.522 0.859 -7.977 1.00 0.00 C ATOM 168 O4' DG A 6 0.635 1.188 -6.598 1.00 0.00 O ATOM 169 C3' DG A 6 0.006 -0.589 -8.096 1.00 0.00 C ATOM 170 O3' DG A 6 0.820 -1.619 -8.669 1.00 0.00 O ATOM 171 C2' DG A 6 -0.409 -0.923 -6.674 1.00 0.00 C ATOM 172 C1' DG A 6 0.446 0.024 -5.823 1.00 0.00 C ATOM 173 N9 DG A 6 -0.135 0.342 -4.494 1.00 0.00 N ATOM 174 C8 DG A 6 -1.451 0.312 -4.092 1.00 0.00 C ATOM 175 N7 DG A 6 -1.629 0.345 -2.798 1.00 0.00 N ATOM 176 C5 DG A 6 -0.319 0.401 -2.305 1.00 0.00 C ATOM 177 C6 DG A 6 0.196 0.452 -0.967 1.00 0.00 C ATOM 178 O6 DG A 6 -0.417 0.463 0.095 1.00 0.00 O ATOM 179 N1 DG A 6 1.573 0.492 -0.891 1.00 0.00 N ATOM 180 C2 DG A 6 2.384 0.486 -1.972 1.00 0.00 C ATOM 181 N2 DG A 6 3.670 0.527 -1.760 1.00 0.00 N ATOM 182 N3 DG A 6 1.956 0.442 -3.229 1.00 0.00 N ATOM 183 C4 DG A 6 0.594 0.399 -3.333 1.00 0.00 C ATOM 0 H5' DG A 6 0.091 2.883 -8.549 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.341 1.691 -9.758 1.00 0.00 H new ATOM 0 H4' DG A 6 1.489 0.894 -8.479 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.775 -0.589 -8.857 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.474 -0.754 -6.516 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.213 -1.968 -6.433 1.00 0.00 H new ATOM 0 H1' DG A 6 1.390 -0.464 -5.581 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.272 0.265 -4.792 1.00 0.00 H new ATOM 0 H1 DG A 6 2.003 0.528 0.033 1.00 0.00 H new ATOM 0 H21 DG A 6 4.317 0.524 -2.548 1.00 0.00 H new ATOM 0 H22 DG A 6 4.029 0.562 -0.806 1.00 0.00 H new ATOM 195 P DT A 7 2.415 -1.774 -8.532 1.00 0.00 P ATOM 196 OP1 DT A 7 3.034 -0.595 -9.174 1.00 0.00 O ATOM 197 OP2 DT A 7 2.763 -3.093 -9.090 1.00 0.00 O ATOM 198 O5' DT A 7 2.812 -1.813 -6.990 1.00 0.00 O ATOM 199 C5' DT A 7 4.103 -1.387 -6.573 1.00 0.00 C ATOM 200 C4' DT A 7 4.598 -2.083 -5.296 1.00 0.00 C ATOM 201 O4' DT A 7 3.753 -1.765 -4.194 1.00 0.00 O ATOM 202 C3' DT A 7 4.649 -3.619 -5.400 1.00 0.00 C ATOM 203 O3' DT A 7 5.831 -4.046 -4.719 1.00 0.00 O ATOM 204 C2' DT A 7 3.352 -3.999 -4.694 1.00 0.00 C ATOM 205 C1' DT A 7 3.383 -2.977 -3.558 1.00 0.00 C ATOM 206 N1 DT A 7 2.122 -2.871 -2.770 1.00 0.00 N ATOM 207 C2 DT A 7 2.233 -2.785 -1.376 1.00 0.00 C ATOM 208 O2 DT A 7 3.295 -2.686 -0.773 1.00 0.00 O ATOM 209 N3 DT A 7 1.062 -2.788 -0.657 1.00 0.00 N ATOM 210 C4 DT A 7 -0.206 -2.843 -1.183 1.00 0.00 C ATOM 211 O4 DT A 7 -1.155 -2.792 -0.406 1.00 0.00 O ATOM 212 C5 DT A 7 -0.263 -2.931 -2.643 1.00 0.00 C ATOM 213 C7 DT A 7 -1.600 -2.999 -3.362 1.00 0.00 C ATOM 214 C6 DT A 7 0.882 -2.920 -3.377 1.00 0.00 C ATOM 0 H5' DT A 7 4.085 -0.310 -6.406 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.815 -1.573 -7.377 1.00 0.00 H new ATOM 0 H4' DT A 7 5.613 -1.714 -5.152 1.00 0.00 H new ATOM 0 H3' DT A 7 4.705 -4.063 -6.394 1.00 0.00 H new ATOM 0 H2' DT A 7 2.477 -3.889 -5.335 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.356 -5.028 -4.334 1.00 0.00 H new ATOM 0 H1' DT A 7 4.089 -3.277 -2.784 1.00 0.00 H new ATOM 0 H3 DT A 7 1.141 -2.746 0.359 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.507 -2.541 -4.347 1.00 0.00 H new ATOM 0 H72 DT A 7 -1.901 -4.041 -3.473 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.352 -2.464 -2.783 1.00 0.00 H new ATOM 0 H6 DT A 7 0.821 -2.950 -4.455 1.00 0.00 H new ATOM 227 P DG A 8 6.163 -5.569 -4.348 1.00 0.00 P ATOM 228 OP1 DG A 8 7.581 -5.612 -3.929 1.00 0.00 O ATOM 229 OP2 DG A 8 5.740 -6.443 -5.462 1.00 0.00 O ATOM 230 O5' DG A 8 5.247 -5.878 -3.071 1.00 0.00 O ATOM 231 C5' DG A 8 5.600 -5.426 -1.767 1.00 0.00 C ATOM 232 C4' DG A 8 4.968 -6.260 -0.645 1.00 0.00 C ATOM 233 O4' DG A 8 3.676 -5.828 -0.227 1.00 0.00 O ATOM 234 C3' DG A 8 4.926 -7.764 -0.939 1.00 0.00 C ATOM 235 O3' DG A 8 5.842 -8.507 -0.144 1.00 0.00 O ATOM 236 C2' DG A 8 3.438 -8.089 -0.935 1.00 0.00 C ATOM 237 C1' DG A 8 2.764 -6.917 -0.193 1.00 0.00 C ATOM 238 N9 DG A 8 1.497 -6.508 -0.864 1.00 0.00 N ATOM 239 C8 DG A 8 1.287 -6.445 -2.218 1.00 0.00 C ATOM 240 N7 DG A 8 0.040 -6.303 -2.572 1.00 0.00 N ATOM 241 C5 DG A 8 -0.621 -6.134 -1.345 1.00 0.00 C ATOM 242 C6 DG A 8 -2.010 -5.895 -1.043 1.00 0.00 C ATOM 243 O6 DG A 8 -2.985 -5.927 -1.793 1.00 0.00 O ATOM 244 N1 DG A 8 -2.251 -5.598 0.283 1.00 0.00 N ATOM 245 C2 DG A 8 -1.286 -5.665 1.239 1.00 0.00 C ATOM 246 N2 DG A 8 -1.629 -5.376 2.468 1.00 0.00 N ATOM 247 N3 DG A 8 -0.019 -6.021 1.035 1.00 0.00 N ATOM 248 C4 DG A 8 0.273 -6.204 -0.293 1.00 0.00 C ATOM 0 H5' DG A 8 5.293 -4.386 -1.655 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.685 -5.451 -1.662 1.00 0.00 H new ATOM 0 H4' DG A 8 5.655 -6.083 0.183 1.00 0.00 H new ATOM 0 H3' DG A 8 5.318 -8.079 -1.906 1.00 0.00 H new ATOM 0 H2' DG A 8 3.054 -8.184 -1.951 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.244 -9.036 -0.431 1.00 0.00 H new ATOM 0 H1' DG A 8 2.520 -7.217 0.826 1.00 0.00 H new ATOM 0 H8 DG A 8 2.092 -6.508 -2.935 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.192 -5.316 0.558 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.934 -5.415 3.214 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.591 -5.112 2.680 1.00 0.00 H new ATOM 260 P DT A 9 5.576 -9.213 1.264 1.00 0.00 P ATOM 261 OP1 DT A 9 6.930 -9.437 1.807 1.00 0.00 O ATOM 262 OP2 DT A 9 4.718 -10.390 1.008 1.00 0.00 O ATOM 263 O5' DT A 9 4.825 -8.184 2.232 1.00 0.00 O ATOM 264 C5' DT A 9 5.508 -7.084 2.827 1.00 0.00 C ATOM 265 C4' DT A 9 4.854 -6.535 4.098 1.00 0.00 C ATOM 266 O4' DT A 9 3.450 -6.397 3.901 1.00 0.00 O ATOM 267 C3' DT A 9 5.084 -7.451 5.310 1.00 0.00 C ATOM 268 O3' DT A 9 5.421 -6.720 6.482 1.00 0.00 O ATOM 269 C2' DT A 9 3.733 -8.126 5.506 1.00 0.00 C ATOM 270 C1' DT A 9 2.732 -7.164 4.850 1.00 0.00 C ATOM 271 N1 DT A 9 1.593 -7.845 4.167 1.00 0.00 N ATOM 272 C2 DT A 9 0.280 -7.443 4.458 1.00 0.00 C ATOM 273 O2 DT A 9 -0.019 -6.488 5.176 1.00 0.00 O ATOM 274 N3 DT A 9 -0.739 -8.177 3.894 1.00 0.00 N ATOM 275 C4 DT A 9 -0.585 -9.219 3.007 1.00 0.00 C ATOM 276 O4 DT A 9 -1.599 -9.788 2.606 1.00 0.00 O ATOM 277 C5 DT A 9 0.803 -9.529 2.667 1.00 0.00 C ATOM 278 C7 DT A 9 1.147 -10.608 1.660 1.00 0.00 C ATOM 279 C6 DT A 9 1.823 -8.853 3.253 1.00 0.00 C ATOM 0 H5' DT A 9 5.579 -6.279 2.095 1.00 0.00 H new ATOM 0 H5'' DT A 9 6.527 -7.391 3.063 1.00 0.00 H new ATOM 0 H4' DT A 9 5.315 -5.568 4.300 1.00 0.00 H new ATOM 0 H3' DT A 9 5.911 -8.141 5.140 1.00 0.00 H new ATOM 0 H2' DT A 9 3.707 -9.109 5.036 1.00 0.00 H new ATOM 0 H2'' DT A 9 3.511 -8.272 6.563 1.00 0.00 H new ATOM 0 H1' DT A 9 2.287 -6.556 5.638 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.692 -7.927 4.156 1.00 0.00 H new ATOM 0 H71 DT A 9 2.081 -10.354 1.159 1.00 0.00 H new ATOM 0 H72 DT A 9 1.259 -11.563 2.174 1.00 0.00 H new ATOM 0 H73 DT A 9 0.349 -10.685 0.922 1.00 0.00 H new ATOM 0 H6 DT A 9 2.840 -9.110 2.998 1.00 0.00 H new ATOM 292 P DG A 10 6.927 -6.247 6.801 1.00 0.00 P ATOM 293 OP1 DG A 10 7.829 -7.395 6.553 1.00 0.00 O ATOM 294 OP2 DG A 10 6.917 -5.657 8.155 1.00 0.00 O ATOM 295 O5' DG A 10 7.281 -5.059 5.771 1.00 0.00 O ATOM 296 C5' DG A 10 8.361 -5.176 4.844 1.00 0.00 C ATOM 297 C4' DG A 10 8.756 -3.878 4.107 1.00 0.00 C ATOM 298 O4' DG A 10 7.878 -3.543 3.031 1.00 0.00 O ATOM 299 C3' DG A 10 8.911 -2.632 5.006 1.00 0.00 C ATOM 300 O3' DG A 10 10.197 -2.010 5.137 1.00 0.00 O ATOM 301 C2' DG A 10 7.827 -1.705 4.472 1.00 0.00 C ATOM 302 C1' DG A 10 7.721 -2.133 3.007 1.00 0.00 C ATOM 303 N9 DG A 10 6.472 -1.647 2.353 1.00 0.00 N ATOM 304 C8 DG A 10 6.364 -0.679 1.378 1.00 0.00 C ATOM 305 N7 DG A 10 5.145 -0.283 1.120 1.00 0.00 N ATOM 306 C5 DG A 10 4.373 -1.052 2.000 1.00 0.00 C ATOM 307 C6 DG A 10 2.951 -1.100 2.224 1.00 0.00 C ATOM 308 O6 DG A 10 2.046 -0.461 1.686 1.00 0.00 O ATOM 309 N1 DG A 10 2.566 -2.003 3.193 1.00 0.00 N ATOM 310 C2 DG A 10 3.440 -2.777 3.876 1.00 0.00 C ATOM 311 N2 DG A 10 2.954 -3.594 4.769 1.00 0.00 N ATOM 312 N3 DG A 10 4.753 -2.773 3.712 1.00 0.00 N ATOM 313 C4 DG A 10 5.172 -1.887 2.756 1.00 0.00 C ATOM 0 H5' DG A 10 8.097 -5.928 4.100 1.00 0.00 H new ATOM 0 H5'' DG A 10 9.235 -5.549 5.378 1.00 0.00 H new ATOM 0 H4' DG A 10 9.740 -4.135 3.715 1.00 0.00 H new ATOM 0 H3' DG A 10 8.806 -2.924 6.051 1.00 0.00 H new ATOM 0 H2' DG A 10 6.884 -1.835 5.002 1.00 0.00 H new ATOM 0 H2'' DG A 10 8.106 -0.656 4.570 1.00 0.00 H new ATOM 0 H1' DG A 10 8.489 -1.680 2.381 1.00 0.00 H new ATOM 0 H8 DG A 10 7.224 -0.277 0.864 1.00 0.00 H new ATOM 0 H1 DG A 10 1.572 -2.092 3.405 1.00 0.00 H new ATOM 0 H21 DG A 10 3.580 -4.195 5.305 1.00 0.00 H new ATOM 0 H22 DG A 10 1.948 -3.632 4.931 1.00 0.00 H new ATOM 325 P DG A 11 11.105 -1.394 3.961 1.00 0.00 P ATOM 326 OP1 DG A 11 11.376 -2.446 2.969 1.00 0.00 O ATOM 327 OP2 DG A 11 12.276 -0.806 4.653 1.00 0.00 O ATOM 328 O5' DG A 11 10.339 -0.178 3.254 1.00 0.00 O ATOM 329 C5' DG A 11 10.788 0.324 1.998 1.00 0.00 C ATOM 330 C4' DG A 11 10.141 1.664 1.620 1.00 0.00 C ATOM 331 O4' DG A 11 8.730 1.537 1.564 1.00 0.00 O ATOM 332 C3' DG A 11 10.472 2.795 2.608 1.00 0.00 C ATOM 333 O3' DG A 11 11.314 3.783 2.020 1.00 0.00 O ATOM 334 C2' DG A 11 9.118 3.422 2.927 1.00 0.00 C ATOM 335 C1' DG A 11 8.134 2.761 1.952 1.00 0.00 C ATOM 336 N9 DG A 11 6.823 2.489 2.583 1.00 0.00 N ATOM 337 C8 DG A 11 6.580 1.832 3.764 1.00 0.00 C ATOM 338 N7 DG A 11 5.323 1.766 4.097 1.00 0.00 N ATOM 339 C5 DG A 11 4.672 2.434 3.053 1.00 0.00 C ATOM 340 C6 DG A 11 3.279 2.705 2.823 1.00 0.00 C ATOM 341 O6 DG A 11 2.298 2.410 3.504 1.00 0.00 O ATOM 342 N1 DG A 11 3.031 3.402 1.658 1.00 0.00 N ATOM 343 C2 DG A 11 4.001 3.797 0.804 1.00 0.00 C ATOM 344 N2 DG A 11 3.597 4.447 -0.253 1.00 0.00 N ATOM 345 N3 DG A 11 5.305 3.573 0.966 1.00 0.00 N ATOM 346 C4 DG A 11 5.583 2.882 2.118 1.00 0.00 C ATOM 0 H5' DG A 11 10.571 -0.410 1.222 1.00 0.00 H new ATOM 0 H5'' DG A 11 11.871 0.446 2.028 1.00 0.00 H new ATOM 0 H4' DG A 11 10.553 1.925 0.645 1.00 0.00 H new ATOM 0 H3' DG A 11 11.001 2.414 3.482 1.00 0.00 H new ATOM 0 H2' DG A 11 8.832 3.237 3.962 1.00 0.00 H new ATOM 0 H2'' DG A 11 9.142 4.503 2.791 1.00 0.00 H new ATOM 0 HO3' DG A 11 11.501 4.486 2.677 1.00 0.00 H new ATOM 0 H1' DG A 11 7.945 3.424 1.107 1.00 0.00 H new ATOM 0 H8 DG A 11 7.367 1.405 4.367 1.00 0.00 H new ATOM 0 H1 DG A 11 2.064 3.631 1.429 1.00 0.00 H new ATOM 0 H21 DG A 11 4.276 4.775 -0.940 1.00 0.00 H new ATOM 0 H22 DG A 11 2.603 4.627 -0.392 1.00 0.00 H new TER 359 DG A 11 HETATM 360 K K A 101 0.169 1.443 2.436 1.00 0.00 K