USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 127 hydrogens (12 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=-0.000461 (180deg=-0.000461) USER MOD Single : A 1 DT O5' : rot 24:sc= 0.261 USER MOD Single : A 3 DT C7 :methyl -30:sc= -1.02 (180deg=-3.01!) USER MOD Single : A 10 DT C7 :methyl -30:sc= -2.19 (180deg=-3.04!) USER MOD Single : A 11 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -7.066 11.094 -1.970 1.00 0.00 O ATOM 2 C5' DT A 1 -7.271 11.233 -3.380 1.00 0.00 C ATOM 3 C4' DT A 1 -6.391 10.276 -4.151 1.00 0.00 C ATOM 4 O4' DT A 1 -5.118 10.171 -3.472 1.00 0.00 O ATOM 5 C3' DT A 1 -6.937 8.848 -4.269 1.00 0.00 C ATOM 6 O3' DT A 1 -6.932 8.430 -5.638 1.00 0.00 O ATOM 7 C2' DT A 1 -5.967 8.005 -3.456 1.00 0.00 C ATOM 8 C1' DT A 1 -4.695 8.826 -3.489 1.00 0.00 C ATOM 9 N1 DT A 1 -3.788 8.620 -2.342 1.00 0.00 N ATOM 10 C2 DT A 1 -2.461 8.360 -2.599 1.00 0.00 C ATOM 11 O2 DT A 1 -2.003 8.285 -3.726 1.00 0.00 O ATOM 12 N3 DT A 1 -1.686 8.191 -1.483 1.00 0.00 N ATOM 13 C4 DT A 1 -2.092 8.250 -0.168 1.00 0.00 C ATOM 14 O4 DT A 1 -1.275 8.071 0.732 1.00 0.00 O ATOM 15 C5 DT A 1 -3.497 8.525 0.032 1.00 0.00 C ATOM 16 C7 DT A 1 -4.026 8.621 1.428 1.00 0.00 C ATOM 17 C6 DT A 1 -4.270 8.695 -1.051 1.00 0.00 C ATOM 0 H5' DT A 1 -7.054 12.257 -3.684 1.00 0.00 H new ATOM 0 H5'' DT A 1 -8.317 11.044 -3.620 1.00 0.00 H new ATOM 0 H4' DT A 1 -6.326 10.689 -5.157 1.00 0.00 H new ATOM 0 H3' DT A 1 -7.964 8.761 -3.914 1.00 0.00 H new ATOM 0 H2' DT A 1 -6.322 7.851 -2.437 1.00 0.00 H new ATOM 0 H2'' DT A 1 -5.822 7.018 -3.896 1.00 0.00 H new ATOM 0 HO5' DT A 1 -6.176 10.720 -1.804 1.00 0.00 H new ATOM 0 H1' DT A 1 -4.124 8.530 -4.369 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.697 8.000 -1.643 1.00 0.00 H new ATOM 0 H71 DT A 1 -4.870 9.310 1.451 1.00 0.00 H new ATOM 0 H72 DT A 1 -4.353 7.636 1.762 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.241 8.987 2.090 1.00 0.00 H new ATOM 0 H6 DT A 1 -5.320 8.900 -0.906 1.00 0.00 H new ATOM 31 P DA A 2 -7.771 7.131 -6.081 1.00 0.00 P ATOM 32 OP1 DA A 2 -8.551 7.476 -7.296 1.00 0.00 O ATOM 33 OP2 DA A 2 -8.474 6.609 -4.882 1.00 0.00 O ATOM 34 O5' DA A 2 -6.652 6.071 -6.487 1.00 0.00 O ATOM 35 C5' DA A 2 -5.598 6.419 -7.385 1.00 0.00 C ATOM 36 C4' DA A 2 -4.486 5.399 -7.311 1.00 0.00 C ATOM 37 O4' DA A 2 -3.719 5.632 -6.103 1.00 0.00 O ATOM 38 C3' DA A 2 -4.944 3.938 -7.249 1.00 0.00 C ATOM 39 O3' DA A 2 -4.160 3.140 -8.145 1.00 0.00 O ATOM 40 C2' DA A 2 -4.682 3.536 -5.808 1.00 0.00 C ATOM 41 C1' DA A 2 -3.494 4.399 -5.451 1.00 0.00 C ATOM 42 N9 DA A 2 -3.330 4.662 -4.022 1.00 0.00 N ATOM 43 C8 DA A 2 -4.297 4.994 -3.106 1.00 0.00 C ATOM 44 N7 DA A 2 -3.839 5.163 -1.890 1.00 0.00 N ATOM 45 C5 DA A 2 -2.476 4.926 -2.014 1.00 0.00 C ATOM 46 C6 DA A 2 -1.426 4.947 -1.082 1.00 0.00 C ATOM 47 N6 DA A 2 -1.590 5.225 0.212 1.00 0.00 N ATOM 48 N1 DA A 2 -0.182 4.666 -1.530 1.00 0.00 N ATOM 49 C2 DA A 2 -0.018 4.385 -2.829 1.00 0.00 C ATOM 50 N3 DA A 2 -0.927 4.334 -3.800 1.00 0.00 N ATOM 51 C4 DA A 2 -2.149 4.618 -3.321 1.00 0.00 C ATOM 0 H5' DA A 2 -5.211 7.407 -7.136 1.00 0.00 H new ATOM 0 H5'' DA A 2 -5.982 6.474 -8.403 1.00 0.00 H new ATOM 0 H4' DA A 2 -3.920 5.530 -8.233 1.00 0.00 H new ATOM 0 H3' DA A 2 -5.986 3.803 -7.539 1.00 0.00 H new ATOM 0 H2' DA A 2 -5.540 3.737 -5.166 1.00 0.00 H new ATOM 0 H2'' DA A 2 -4.457 2.474 -5.715 1.00 0.00 H new ATOM 0 H1' DA A 2 -2.588 3.875 -5.755 1.00 0.00 H new ATOM 0 H8 DA A 2 -5.340 5.106 -3.364 1.00 0.00 H new ATOM 0 H61 DA A 2 -0.786 5.224 0.840 1.00 0.00 H new ATOM 0 H62 DA A 2 -2.519 5.438 0.574 1.00 0.00 H new ATOM 0 H2 DA A 2 0.996 4.169 -3.132 1.00 0.00 H new ATOM 63 P DT A 3 -4.524 1.587 -8.364 1.00 0.00 P ATOM 64 OP1 DT A 3 -4.881 1.395 -9.793 1.00 0.00 O ATOM 65 OP2 DT A 3 -5.485 1.182 -7.308 1.00 0.00 O ATOM 66 O5' DT A 3 -3.151 0.827 -8.088 1.00 0.00 O ATOM 67 C5' DT A 3 -1.947 1.210 -8.756 1.00 0.00 C ATOM 68 C4' DT A 3 -0.745 0.873 -7.903 1.00 0.00 C ATOM 69 O4' DT A 3 -0.928 1.461 -6.594 1.00 0.00 O ATOM 70 C3' DT A 3 -0.511 -0.624 -7.674 1.00 0.00 C ATOM 71 O3' DT A 3 0.852 -0.962 -7.956 1.00 0.00 O ATOM 72 C2' DT A 3 -0.810 -0.828 -6.198 1.00 0.00 C ATOM 73 C1' DT A 3 -0.517 0.535 -5.613 1.00 0.00 C ATOM 74 N1 DT A 3 -1.242 0.842 -4.366 1.00 0.00 N ATOM 75 C2 DT A 3 -0.512 1.008 -3.210 1.00 0.00 C ATOM 76 O2 DT A 3 0.703 0.918 -3.169 1.00 0.00 O ATOM 77 N3 DT A 3 -1.261 1.284 -2.099 1.00 0.00 N ATOM 78 C4 DT A 3 -2.632 1.411 -2.027 1.00 0.00 C ATOM 79 O4 DT A 3 -3.165 1.661 -0.951 1.00 0.00 O ATOM 80 C5 DT A 3 -3.336 1.224 -3.275 1.00 0.00 C ATOM 81 C7 DT A 3 -4.828 1.329 -3.287 1.00 0.00 C ATOM 82 C6 DT A 3 -2.616 0.953 -4.373 1.00 0.00 C ATOM 0 H5' DT A 3 -1.964 2.279 -8.967 1.00 0.00 H new ATOM 0 H5'' DT A 3 -1.876 0.697 -9.715 1.00 0.00 H new ATOM 0 H4' DT A 3 0.114 1.261 -8.451 1.00 0.00 H new ATOM 0 H3' DT A 3 -1.131 -1.249 -8.317 1.00 0.00 H new ATOM 0 H2' DT A 3 -1.845 -1.127 -6.031 1.00 0.00 H new ATOM 0 H2'' DT A 3 -0.180 -1.602 -5.760 1.00 0.00 H new ATOM 0 H1' DT A 3 0.542 0.575 -5.356 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.748 1.410 -1.226 1.00 0.00 H new ATOM 0 H71 DT A 3 -5.222 1.017 -2.320 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.119 2.361 -3.482 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.232 0.685 -4.068 1.00 0.00 H new ATOM 0 H6 DT A 3 -3.138 0.815 -5.308 1.00 0.00 H new ATOM 95 P DC A 4 1.325 -2.499 -7.895 1.00 0.00 P ATOM 96 OP1 DC A 4 2.531 -2.643 -8.751 1.00 0.00 O ATOM 97 OP2 DC A 4 0.135 -3.348 -8.159 1.00 0.00 O ATOM 98 O5' DC A 4 1.752 -2.713 -6.374 1.00 0.00 O ATOM 99 C5' DC A 4 3.123 -2.885 -6.008 1.00 0.00 C ATOM 100 C4' DC A 4 3.232 -3.735 -4.764 1.00 0.00 C ATOM 101 O4' DC A 4 2.511 -3.082 -3.691 1.00 0.00 O ATOM 102 C3' DC A 4 2.642 -5.144 -4.886 1.00 0.00 C ATOM 103 O3' DC A 4 3.560 -6.110 -4.362 1.00 0.00 O ATOM 104 C2' DC A 4 1.379 -5.094 -4.042 1.00 0.00 C ATOM 105 C1' DC A 4 1.697 -4.023 -3.020 1.00 0.00 C ATOM 106 N1 DC A 4 0.527 -3.307 -2.486 1.00 0.00 N ATOM 107 C2 DC A 4 0.450 -3.067 -1.109 1.00 0.00 C ATOM 108 O2 DC A 4 1.366 -3.471 -0.377 1.00 0.00 O ATOM 109 N3 DC A 4 -0.619 -2.403 -0.614 1.00 0.00 N ATOM 110 C4 DC A 4 -1.586 -1.989 -1.434 1.00 0.00 C ATOM 111 N4 DC A 4 -2.619 -1.339 -0.902 1.00 0.00 N ATOM 112 C5 DC A 4 -1.536 -2.224 -2.839 1.00 0.00 C ATOM 113 C6 DC A 4 -0.471 -2.879 -3.316 1.00 0.00 C ATOM 0 H5' DC A 4 3.584 -1.913 -5.834 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.669 -3.355 -6.826 1.00 0.00 H new ATOM 0 H4' DC A 4 4.302 -3.840 -4.582 1.00 0.00 H new ATOM 0 H3' DC A 4 2.441 -5.430 -5.918 1.00 0.00 H new ATOM 0 H2' DC A 4 0.504 -4.836 -4.639 1.00 0.00 H new ATOM 0 H2'' DC A 4 1.171 -6.054 -3.570 1.00 0.00 H new ATOM 0 H1' DC A 4 2.164 -4.508 -2.163 1.00 0.00 H new ATOM 0 H41 DC A 4 -3.376 -1.008 -1.500 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.653 -1.172 0.104 1.00 0.00 H new ATOM 0 H5 DC A 4 -2.327 -1.887 -3.493 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.399 -3.073 -4.376 1.00 0.00 H new ATOM 125 P DA A 5 3.304 -7.678 -4.616 1.00 0.00 P ATOM 126 OP1 DA A 5 4.632 -8.328 -4.741 1.00 0.00 O ATOM 127 OP2 DA A 5 2.309 -7.826 -5.709 1.00 0.00 O ATOM 128 O5' DA A 5 2.632 -8.182 -3.262 1.00 0.00 O ATOM 129 C5' DA A 5 3.169 -7.812 -1.990 1.00 0.00 C ATOM 130 C4' DA A 5 2.117 -7.957 -0.915 1.00 0.00 C ATOM 131 O4' DA A 5 1.080 -6.972 -1.144 1.00 0.00 O ATOM 132 C3' DA A 5 1.412 -9.318 -0.875 1.00 0.00 C ATOM 133 O3' DA A 5 1.367 -9.803 0.470 1.00 0.00 O ATOM 134 C2' DA A 5 0.014 -9.025 -1.394 1.00 0.00 C ATOM 135 C1' DA A 5 -0.183 -7.581 -0.989 1.00 0.00 C ATOM 136 N9 DA A 5 -1.146 -6.837 -1.798 1.00 0.00 N ATOM 137 C8 DA A 5 -1.371 -6.925 -3.151 1.00 0.00 C ATOM 138 N7 DA A 5 -2.313 -6.123 -3.584 1.00 0.00 N ATOM 139 C5 DA A 5 -2.736 -5.460 -2.440 1.00 0.00 C ATOM 140 C6 DA A 5 -3.716 -4.475 -2.224 1.00 0.00 C ATOM 141 N6 DA A 5 -4.481 -3.967 -3.191 1.00 0.00 N ATOM 142 N1 DA A 5 -3.886 -4.026 -0.963 1.00 0.00 N ATOM 143 C2 DA A 5 -3.120 -4.536 0.010 1.00 0.00 C ATOM 144 N3 DA A 5 -2.169 -5.463 -0.068 1.00 0.00 N ATOM 145 C4 DA A 5 -2.025 -5.888 -1.334 1.00 0.00 C ATOM 0 H5' DA A 5 3.525 -6.782 -2.023 1.00 0.00 H new ATOM 0 H5'' DA A 5 4.029 -8.439 -1.754 1.00 0.00 H new ATOM 0 H4' DA A 5 2.652 -7.832 0.026 1.00 0.00 H new ATOM 0 H3' DA A 5 1.918 -10.082 -1.465 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.055 -9.158 -2.474 1.00 0.00 H new ATOM 0 H2'' DA A 5 -0.733 -9.679 -0.944 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.582 -7.566 0.025 1.00 0.00 H new ATOM 0 H8 DA A 5 -0.822 -7.593 -3.798 1.00 0.00 H new ATOM 0 H61 DA A 5 -5.175 -3.253 -2.970 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.372 -4.292 -4.152 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.300 -4.138 0.998 1.00 0.00 H new HETATM 157 P 0DT A 6 0.864 -11.301 0.763 1.00 0.00 P HETATM 158 OP1 0DT A 6 1.824 -11.940 1.699 1.00 0.00 O HETATM 159 OP2 0DT A 6 0.568 -11.952 -0.540 1.00 0.00 O HETATM 160 O5' 0DT A 6 -0.515 -11.089 1.532 1.00 0.00 O HETATM 161 C5' 0DT A 6 -0.716 -9.957 2.378 1.00 0.00 C HETATM 162 C4' 0DT A 6 -1.314 -10.390 3.696 1.00 0.00 C HETATM 163 O4' 0DT A 6 -1.999 -11.649 3.508 1.00 0.00 O HETATM 164 C3' 0DT A 6 -2.364 -9.451 4.286 1.00 0.00 C HETATM 165 O3' 0DT A 6 -2.396 -9.574 5.714 1.00 0.00 O HETATM 166 C2' 0DT A 6 -3.658 -9.953 3.668 1.00 0.00 C HETATM 167 C1' 0DT A 6 -3.401 -11.434 3.409 1.00 0.00 C HETATM 168 N1 0DT A 6 -3.841 -11.900 2.078 1.00 0.00 N HETATM 169 C2 0DT A 6 -4.857 -12.829 2.016 1.00 0.00 C HETATM 170 O2 0DT A 6 -5.398 -13.289 3.007 1.00 0.00 O HETATM 171 N3 0DT A 6 -5.218 -13.202 0.750 1.00 0.00 N HETATM 172 C4 0DT A 6 -4.682 -12.751 -0.437 1.00 0.00 C HETATM 173 O4 0DT A 6 -5.116 -13.177 -1.504 1.00 0.00 O HETATM 174 C5 0DT A 6 -3.620 -11.779 -0.304 1.00 0.00 C HETATM 175 C5M 0DT A 6 -3.004 -11.202 -1.541 1.00 0.00 C HETATM 176 C6 0DT A 6 -3.249 -11.408 0.929 1.00 0.00 C HETATM 0 H5'' 0DT A 6 0.233 -9.450 2.550 1.00 0.00 H new HETATM 0 H2'' 0DT A 6 -4.503 -9.807 4.341 1.00 0.00 H new HETATM 0 H73 0DT A 6 -2.567 -12.003 -2.138 1.00 0.00 H new HETATM 0 H72 0DT A 6 -3.770 -10.691 -2.124 1.00 0.00 H new HETATM 0 H71 0DT A 6 -2.226 -10.491 -1.262 1.00 0.00 H new HETATM 0 H6 0DT A 6 -2.441 -10.683 1.031 1.00 0.00 H new HETATM 0 H5' 0DT A 6 -1.376 -9.241 1.889 1.00 0.00 H new HETATM 0 H4' 0DT A 6 -0.465 -10.424 4.379 1.00 0.00 H new HETATM 0 H3' 0DT A 6 -2.174 -8.398 4.079 1.00 0.00 H new HETATM 0 H3 0DT A 6 -5.967 -13.890 0.677 1.00 0.00 H new HETATM 0 H2' 0DT A 6 -3.890 -9.422 2.745 1.00 0.00 H new HETATM 0 H1' 0DT A 6 -3.979 -11.994 4.144 1.00 0.00 H new ATOM 189 P DC A 7 -3.180 -8.478 6.596 1.00 0.00 P ATOM 190 OP1 DC A 7 -3.826 -9.202 7.720 1.00 0.00 O ATOM 191 OP2 DC A 7 -4.010 -7.649 5.685 1.00 0.00 O ATOM 192 O5' DC A 7 -2.023 -7.556 7.190 1.00 0.00 O ATOM 193 C5' DC A 7 -1.469 -7.807 8.485 1.00 0.00 C ATOM 194 C4' DC A 7 -0.794 -6.564 9.019 1.00 0.00 C ATOM 195 O4' DC A 7 0.280 -6.187 8.126 1.00 0.00 O ATOM 196 C3' DC A 7 -1.688 -5.331 9.129 1.00 0.00 C ATOM 197 O3' DC A 7 -1.261 -4.508 10.221 1.00 0.00 O ATOM 198 C2' DC A 7 -1.468 -4.626 7.802 1.00 0.00 C ATOM 199 C1' DC A 7 -0.019 -4.961 7.471 1.00 0.00 C ATOM 200 N1 DC A 7 0.262 -5.144 6.038 1.00 0.00 N ATOM 201 C2 DC A 7 1.445 -4.623 5.507 1.00 0.00 C ATOM 202 O2 DC A 7 2.217 -4.004 6.255 1.00 0.00 O ATOM 203 N3 DC A 7 1.720 -4.807 4.196 1.00 0.00 N ATOM 204 C4 DC A 7 0.864 -5.481 3.424 1.00 0.00 C ATOM 205 N4 DC A 7 1.182 -5.643 2.138 1.00 0.00 N ATOM 206 C5 DC A 7 -0.352 -6.019 3.936 1.00 0.00 C ATOM 207 C6 DC A 7 -0.614 -5.820 5.237 1.00 0.00 C ATOM 0 H5' DC A 7 -0.749 -8.623 8.428 1.00 0.00 H new ATOM 0 H5'' DC A 7 -2.256 -8.124 9.169 1.00 0.00 H new ATOM 0 H4' DC A 7 -0.470 -6.839 10.023 1.00 0.00 H new ATOM 0 H3' DC A 7 -2.736 -5.567 9.316 1.00 0.00 H new ATOM 0 H2' DC A 7 -2.151 -4.989 7.034 1.00 0.00 H new ATOM 0 H2'' DC A 7 -1.624 -3.551 7.886 1.00 0.00 H new ATOM 0 H1' DC A 7 0.587 -4.116 7.797 1.00 0.00 H new ATOM 0 H41 DC A 7 0.553 -6.152 1.517 1.00 0.00 H new ATOM 0 H42 DC A 7 2.054 -5.257 1.776 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.035 -6.565 3.303 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.533 -6.201 5.658 1.00 0.00 H new ATOM 219 P DG A 8 -2.272 -3.428 10.852 1.00 0.00 P ATOM 220 OP1 DG A 8 -1.653 -2.885 12.089 1.00 0.00 O ATOM 221 OP2 DG A 8 -3.617 -4.057 10.921 1.00 0.00 O ATOM 222 O5' DG A 8 -2.326 -2.267 9.760 1.00 0.00 O ATOM 223 C5' DG A 8 -1.461 -1.131 9.844 1.00 0.00 C ATOM 224 C4' DG A 8 -0.097 -1.467 9.289 1.00 0.00 C ATOM 225 O4' DG A 8 -0.254 -2.072 7.982 1.00 0.00 O ATOM 226 C3' DG A 8 0.822 -0.268 9.072 1.00 0.00 C ATOM 227 O3' DG A 8 2.192 -0.655 9.225 1.00 0.00 O ATOM 228 C2' DG A 8 0.532 0.127 7.637 1.00 0.00 C ATOM 229 C1' DG A 8 0.257 -1.213 6.973 1.00 0.00 C ATOM 230 N9 DG A 8 -0.724 -1.157 5.896 1.00 0.00 N ATOM 231 C8 DG A 8 -2.031 -0.749 5.992 1.00 0.00 C ATOM 232 N7 DG A 8 -2.672 -0.800 4.856 1.00 0.00 N ATOM 233 C5 DG A 8 -1.728 -1.272 3.954 1.00 0.00 C ATOM 234 C6 DG A 8 -1.837 -1.534 2.566 1.00 0.00 C ATOM 235 O6 DG A 8 -2.822 -1.399 1.834 1.00 0.00 O ATOM 236 N1 DG A 8 -0.639 -2.001 2.037 1.00 0.00 N ATOM 237 C2 DG A 8 0.516 -2.192 2.753 1.00 0.00 C ATOM 238 N2 DG A 8 1.570 -2.648 2.066 1.00 0.00 N ATOM 239 N3 DG A 8 0.631 -1.956 4.048 1.00 0.00 N ATOM 240 C4 DG A 8 -0.521 -1.499 4.580 1.00 0.00 C ATOM 0 H5' DG A 8 -1.370 -0.811 10.882 1.00 0.00 H new ATOM 0 H5'' DG A 8 -1.891 -0.297 9.290 1.00 0.00 H new ATOM 0 H4' DG A 8 0.355 -2.119 10.036 1.00 0.00 H new ATOM 0 H3' DG A 8 0.656 0.542 9.782 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.324 0.798 7.566 1.00 0.00 H new ATOM 0 H2'' DG A 8 1.378 0.640 7.179 1.00 0.00 H new ATOM 0 H1' DG A 8 1.189 -1.558 6.526 1.00 0.00 H new ATOM 0 H8 DG A 8 -2.484 -0.419 6.915 1.00 0.00 H new ATOM 0 H1 DG A 8 -0.617 -2.218 1.041 1.00 0.00 H new ATOM 0 H21 DG A 8 2.457 -2.810 2.542 1.00 0.00 H new ATOM 0 H22 DG A 8 1.486 -2.833 1.066 1.00 0.00 H new ATOM 252 P DA A 9 3.349 0.460 9.166 1.00 0.00 P ATOM 253 OP1 DA A 9 4.578 -0.117 9.766 1.00 0.00 O ATOM 254 OP2 DA A 9 2.788 1.720 9.717 1.00 0.00 O ATOM 255 O5' DA A 9 3.602 0.676 7.607 1.00 0.00 O ATOM 256 C5' DA A 9 4.707 0.056 6.948 1.00 0.00 C ATOM 257 C4' DA A 9 4.911 0.665 5.581 1.00 0.00 C ATOM 258 O4' DA A 9 3.735 0.408 4.780 1.00 0.00 O ATOM 259 C3' DA A 9 5.117 2.185 5.569 1.00 0.00 C ATOM 260 O3' DA A 9 6.393 2.498 4.996 1.00 0.00 O ATOM 261 C2' DA A 9 3.989 2.719 4.698 1.00 0.00 C ATOM 262 C1' DA A 9 3.515 1.507 3.927 1.00 0.00 C ATOM 263 N9 DA A 9 2.097 1.532 3.575 1.00 0.00 N ATOM 264 C8 DA A 9 1.022 1.621 4.425 1.00 0.00 C ATOM 265 N7 DA A 9 -0.137 1.628 3.813 1.00 0.00 N ATOM 266 C5 DA A 9 0.197 1.537 2.469 1.00 0.00 C ATOM 267 C6 DA A 9 -0.583 1.497 1.302 1.00 0.00 C ATOM 268 N6 DA A 9 -1.915 1.546 1.303 1.00 0.00 N ATOM 269 N1 DA A 9 0.060 1.405 0.119 1.00 0.00 N ATOM 270 C2 DA A 9 1.399 1.354 0.119 1.00 0.00 C ATOM 271 N3 DA A 9 2.241 1.382 1.148 1.00 0.00 N ATOM 272 C4 DA A 9 1.569 1.475 2.308 1.00 0.00 C ATOM 0 H5' DA A 9 4.528 -1.015 6.853 1.00 0.00 H new ATOM 0 H5'' DA A 9 5.610 0.177 7.546 1.00 0.00 H new ATOM 0 H4' DA A 9 5.822 0.206 5.197 1.00 0.00 H new ATOM 0 H3' DA A 9 5.102 2.622 6.568 1.00 0.00 H new ATOM 0 H2' DA A 9 3.188 3.147 5.301 1.00 0.00 H new ATOM 0 H2'' DA A 9 4.339 3.505 4.029 1.00 0.00 H new ATOM 0 H1' DA A 9 4.056 1.466 2.982 1.00 0.00 H new ATOM 0 H8 DA A 9 1.122 1.680 5.499 1.00 0.00 H new ATOM 0 H61 DA A 9 -2.427 1.513 0.422 1.00 0.00 H new ATOM 0 H62 DA A 9 -2.422 1.617 2.185 1.00 0.00 H new ATOM 0 H2 DA A 9 1.860 1.280 -0.855 1.00 0.00 H new ATOM 284 P DT A 10 6.823 4.034 4.775 1.00 0.00 P ATOM 285 OP1 DT A 10 8.143 4.242 5.422 1.00 0.00 O ATOM 286 OP2 DT A 10 5.678 4.902 5.152 1.00 0.00 O ATOM 287 O5' DT A 10 7.022 4.147 3.197 1.00 0.00 O ATOM 288 C5' DT A 10 7.560 3.057 2.446 1.00 0.00 C ATOM 289 C4' DT A 10 7.450 3.335 0.966 1.00 0.00 C ATOM 290 O4' DT A 10 6.058 3.248 0.573 1.00 0.00 O ATOM 291 C3' DT A 10 7.922 4.723 0.532 1.00 0.00 C ATOM 292 O3' DT A 10 8.558 4.651 -0.749 1.00 0.00 O ATOM 293 C2' DT A 10 6.636 5.524 0.449 1.00 0.00 C ATOM 294 C1' DT A 10 5.621 4.480 0.022 1.00 0.00 C ATOM 295 N1 DT A 10 4.245 4.723 0.498 1.00 0.00 N ATOM 296 C2 DT A 10 3.221 4.679 -0.420 1.00 0.00 C ATOM 297 O2 DT A 10 3.398 4.457 -1.606 1.00 0.00 O ATOM 298 N3 DT A 10 1.976 4.906 0.102 1.00 0.00 N ATOM 299 C4 DT A 10 1.658 5.171 1.417 1.00 0.00 C ATOM 300 O4 DT A 10 0.487 5.351 1.737 1.00 0.00 O ATOM 301 C5 DT A 10 2.780 5.210 2.326 1.00 0.00 C ATOM 302 C7 DT A 10 2.530 5.514 3.771 1.00 0.00 C ATOM 303 C6 DT A 10 4.005 4.986 1.832 1.00 0.00 C ATOM 0 H5' DT A 10 7.026 2.139 2.691 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.604 2.900 2.717 1.00 0.00 H new ATOM 0 H4' DT A 10 8.095 2.595 0.492 1.00 0.00 H new ATOM 0 H3' DT A 10 8.651 5.163 1.213 1.00 0.00 H new ATOM 0 H2' DT A 10 6.376 5.973 1.407 1.00 0.00 H new ATOM 0 H2'' DT A 10 6.711 6.336 -0.274 1.00 0.00 H new ATOM 0 H1' DT A 10 5.572 4.497 -1.067 1.00 0.00 H new ATOM 0 H3 DT A 10 1.197 4.876 -0.555 1.00 0.00 H new ATOM 0 H71 DT A 10 1.658 6.161 3.861 1.00 0.00 H new ATOM 0 H72 DT A 10 2.350 4.585 4.312 1.00 0.00 H new ATOM 0 H73 DT A 10 3.400 6.017 4.193 1.00 0.00 H new ATOM 0 H6 DT A 10 4.845 5.012 2.510 1.00 0.00 H new ATOM 316 P DA A 11 9.516 5.847 -1.234 1.00 0.00 P ATOM 317 OP1 DA A 11 10.686 5.229 -1.909 1.00 0.00 O ATOM 318 OP2 DA A 11 9.733 6.779 -0.097 1.00 0.00 O ATOM 319 O5' DA A 11 8.653 6.607 -2.337 1.00 0.00 O ATOM 320 C5' DA A 11 8.216 5.935 -3.520 1.00 0.00 C ATOM 321 C4' DA A 11 7.440 6.883 -4.404 1.00 0.00 C ATOM 322 O4' DA A 11 6.073 6.950 -3.927 1.00 0.00 O ATOM 323 C3' DA A 11 7.949 8.325 -4.413 1.00 0.00 C ATOM 324 O3' DA A 11 7.780 8.916 -5.705 1.00 0.00 O ATOM 325 C2' DA A 11 7.061 9.014 -3.393 1.00 0.00 C ATOM 326 C1' DA A 11 5.742 8.282 -3.569 1.00 0.00 C ATOM 327 N9 DA A 11 4.902 8.229 -2.372 1.00 0.00 N ATOM 328 C8 DA A 11 5.295 8.249 -1.056 1.00 0.00 C ATOM 329 N7 DA A 11 4.297 8.190 -0.206 1.00 0.00 N ATOM 330 C5 DA A 11 3.173 8.126 -1.017 1.00 0.00 C ATOM 331 C6 DA A 11 1.799 8.049 -0.726 1.00 0.00 C ATOM 332 N6 DA A 11 1.303 8.024 0.512 1.00 0.00 N ATOM 333 N1 DA A 11 0.938 7.999 -1.767 1.00 0.00 N ATOM 334 C2 DA A 11 1.435 8.027 -3.011 1.00 0.00 C ATOM 335 N3 DA A 11 2.703 8.099 -3.410 1.00 0.00 N ATOM 336 C4 DA A 11 3.531 8.147 -2.353 1.00 0.00 C ATOM 0 H5' DA A 11 7.592 5.082 -3.253 1.00 0.00 H new ATOM 0 H5'' DA A 11 9.076 5.543 -4.062 1.00 0.00 H new ATOM 0 H4' DA A 11 7.547 6.482 -5.412 1.00 0.00 H new ATOM 0 H3' DA A 11 9.011 8.403 -4.182 1.00 0.00 H new ATOM 0 H2' DA A 11 7.451 8.913 -2.380 1.00 0.00 H new ATOM 0 H2'' DA A 11 6.964 10.081 -3.592 1.00 0.00 H new ATOM 0 HO3' DA A 11 8.110 9.839 -5.688 1.00 0.00 H new ATOM 0 H1' DA A 11 5.163 8.823 -4.317 1.00 0.00 H new ATOM 0 H8 DA A 11 6.329 8.308 -0.749 1.00 0.00 H new ATOM 0 H61 DA A 11 0.295 7.967 0.656 1.00 0.00 H new ATOM 0 H62 DA A 11 1.932 8.062 1.314 1.00 0.00 H new ATOM 0 H2 DA A 11 0.702 7.985 -3.803 1.00 0.00 H new TER 349 DA A 11