USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 Set 1.1: A 12 DT C7 :methyl -30:sc= -0.252 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -1.33 (180deg=-5.51!) USER MOD Single : A 1 DG O5' : rot 46:sc= 1.21 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.7! (180deg=-7.12!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.299 2.412 2.853 1.00 0.00 O ATOM 2 C5' DG A 1 8.116 3.208 3.700 1.00 0.00 C ATOM 3 C4' DG A 1 7.662 3.142 5.167 1.00 0.00 C ATOM 4 O4' DG A 1 6.287 3.505 5.214 1.00 0.00 O ATOM 5 C3' DG A 1 7.785 1.739 5.780 1.00 0.00 C ATOM 6 O3' DG A 1 8.150 1.867 7.147 1.00 0.00 O ATOM 7 C2' DG A 1 6.367 1.206 5.647 1.00 0.00 C ATOM 8 C1' DG A 1 5.579 2.483 5.890 1.00 0.00 C ATOM 9 N9 DG A 1 4.183 2.339 5.441 1.00 0.00 N ATOM 10 C8 DG A 1 3.103 2.081 6.239 1.00 0.00 C ATOM 11 N7 DG A 1 1.964 2.067 5.609 1.00 0.00 N ATOM 12 C5 DG A 1 2.321 2.277 4.275 1.00 0.00 C ATOM 13 C6 DG A 1 1.507 2.348 3.097 1.00 0.00 C ATOM 14 O6 DG A 1 0.280 2.293 3.025 1.00 0.00 O ATOM 15 N1 DG A 1 2.241 2.505 1.932 1.00 0.00 N ATOM 16 C2 DG A 1 3.610 2.608 1.914 1.00 0.00 C ATOM 17 N2 DG A 1 4.216 2.761 0.760 1.00 0.00 N ATOM 18 N3 DG A 1 4.396 2.586 2.995 1.00 0.00 N ATOM 19 C4 DG A 1 3.689 2.409 4.154 1.00 0.00 C ATOM 0 H5' DG A 1 8.091 4.243 3.359 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.150 2.873 3.625 1.00 0.00 H new ATOM 0 H4' DG A 1 8.306 3.813 5.736 1.00 0.00 H new ATOM 0 H3' DG A 1 8.530 1.096 5.311 1.00 0.00 H new ATOM 0 H2' DG A 1 6.174 0.778 4.663 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.142 0.432 6.381 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.355 2.576 3.061 1.00 0.00 H new ATOM 0 H1' DG A 1 5.499 2.725 6.950 1.00 0.00 H new ATOM 0 H8 DG A 1 3.188 1.904 7.301 1.00 0.00 H new ATOM 0 H1 DG A 1 1.740 2.546 1.045 1.00 0.00 H new ATOM 0 H21 DG A 1 5.232 2.840 0.724 1.00 0.00 H new ATOM 0 H22 DG A 1 3.671 2.801 -0.101 1.00 0.00 H new ATOM 32 P DG A 2 8.719 0.627 8.004 1.00 0.00 P ATOM 33 OP1 DG A 2 9.219 1.128 9.296 1.00 0.00 O ATOM 34 OP2 DG A 2 9.591 -0.189 7.131 1.00 0.00 O ATOM 35 O5' DG A 2 7.433 -0.296 8.290 1.00 0.00 O ATOM 36 C5' DG A 2 6.513 0.030 9.323 1.00 0.00 C ATOM 37 C4' DG A 2 5.236 -0.819 9.255 1.00 0.00 C ATOM 38 O4' DG A 2 4.456 -0.461 8.128 1.00 0.00 O ATOM 39 C3' DG A 2 5.510 -2.323 9.169 1.00 0.00 C ATOM 40 O3' DG A 2 5.079 -2.954 10.361 1.00 0.00 O ATOM 41 C2' DG A 2 4.673 -2.806 7.986 1.00 0.00 C ATOM 42 C1' DG A 2 3.763 -1.610 7.688 1.00 0.00 C ATOM 43 N9 DG A 2 3.401 -1.445 6.271 1.00 0.00 N ATOM 44 C8 DG A 2 4.240 -1.470 5.198 1.00 0.00 C ATOM 45 N7 DG A 2 3.663 -1.273 4.045 1.00 0.00 N ATOM 46 C5 DG A 2 2.316 -1.132 4.390 1.00 0.00 C ATOM 47 C6 DG A 2 1.161 -0.939 3.565 1.00 0.00 C ATOM 48 O6 DG A 2 1.121 -0.857 2.340 1.00 0.00 O ATOM 49 N1 DG A 2 -0.021 -0.857 4.282 1.00 0.00 N ATOM 50 C2 DG A 2 -0.087 -0.951 5.644 1.00 0.00 C ATOM 51 N2 DG A 2 -1.264 -0.875 6.228 1.00 0.00 N ATOM 52 N3 DG A 2 0.968 -1.143 6.442 1.00 0.00 N ATOM 53 C4 DG A 2 2.146 -1.222 5.753 1.00 0.00 C ATOM 0 H5' DG A 2 6.249 1.085 9.252 1.00 0.00 H new ATOM 0 H5'' DG A 2 6.992 -0.114 10.292 1.00 0.00 H new ATOM 0 H4' DG A 2 4.706 -0.616 10.185 1.00 0.00 H new ATOM 0 H3' DG A 2 6.569 -2.549 9.042 1.00 0.00 H new ATOM 0 H2' DG A 2 5.297 -3.061 7.129 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.097 -3.697 8.237 1.00 0.00 H new ATOM 0 H1' DG A 2 2.817 -1.774 8.203 1.00 0.00 H new ATOM 0 H8 DG A 2 5.302 -1.640 5.295 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.890 -0.719 3.766 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.335 -0.943 7.243 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.105 -0.748 5.665 1.00 0.00 H new HETATM 65 P TAF A 3 5.926 -4.166 10.987 1.00 0.00 P HETATM 66 OP1 TAF A 3 5.220 -4.669 12.184 1.00 0.00 O HETATM 67 OP2 TAF A 3 7.332 -3.726 11.090 1.00 0.00 O HETATM 68 O5' TAF A 3 5.826 -5.265 9.815 1.00 0.00 O HETATM 69 N1 TAF A 3 3.437 -8.489 7.151 1.00 0.00 N HETATM 70 C6 TAF A 3 2.479 -7.578 7.557 1.00 0.00 C HETATM 71 C2 TAF A 3 3.071 -9.701 6.560 1.00 0.00 C HETATM 72 O2 TAF A 3 3.877 -10.543 6.178 1.00 0.00 O HETATM 73 N3 TAF A 3 1.724 -9.934 6.401 1.00 0.00 N HETATM 74 C4 TAF A 3 0.709 -9.069 6.751 1.00 0.00 C HETATM 75 O4 TAF A 3 -0.448 -9.403 6.522 1.00 0.00 O HETATM 76 C5 TAF A 3 1.152 -7.821 7.369 1.00 0.00 C HETATM 77 C5M TAF A 3 0.117 -6.780 7.773 1.00 0.00 C HETATM 78 F2' TAF A 3 4.474 -6.125 6.065 1.00 0.00 F HETATM 79 C2' TAF A 3 5.413 -7.089 6.351 1.00 0.00 C HETATM 80 C5' TAF A 3 6.775 -6.317 9.713 1.00 0.00 C HETATM 81 C4' TAF A 3 6.508 -7.209 8.495 1.00 0.00 C HETATM 82 O4' TAF A 3 5.236 -7.825 8.589 1.00 0.00 O HETATM 83 C1' TAF A 3 4.895 -8.200 7.272 1.00 0.00 C HETATM 84 C3' TAF A 3 6.518 -6.434 7.174 1.00 0.00 C HETATM 85 O3' TAF A 3 7.775 -6.487 6.502 1.00 0.00 O HETATM 0 H5'' TAF A 3 7.778 -5.896 9.642 1.00 0.00 H new HETATM 0 H73 TAF A 3 0.197 -6.583 8.842 1.00 0.00 H new HETATM 0 H72 TAF A 3 0.294 -5.857 7.220 1.00 0.00 H new HETATM 0 H71 TAF A 3 -0.882 -7.153 7.546 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.791 -6.650 8.036 1.00 0.00 H new HETATM 0 H5' TAF A 3 6.746 -6.922 10.620 1.00 0.00 H new HETATM 0 H4' TAF A 3 7.314 -7.943 8.497 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.353 -5.369 7.336 1.00 0.00 H new HETATM 0 H3 TAF A 3 1.452 -10.826 5.987 1.00 0.00 H new HETATM 0 H2' TAF A 3 5.718 -7.506 5.391 1.00 0.00 H new HETATM 0 H1' TAF A 3 5.364 -9.138 6.976 1.00 0.00 H new ATOM 97 P DT A 4 8.257 -5.290 5.530 1.00 0.00 P ATOM 98 OP1 DT A 4 9.618 -5.607 5.058 1.00 0.00 O ATOM 99 OP2 DT A 4 8.029 -4.021 6.262 1.00 0.00 O ATOM 100 O5' DT A 4 7.243 -5.313 4.275 1.00 0.00 O ATOM 101 C5' DT A 4 7.400 -6.225 3.197 1.00 0.00 C ATOM 102 C4' DT A 4 6.562 -5.822 1.976 1.00 0.00 C ATOM 103 O4' DT A 4 5.170 -5.959 2.198 1.00 0.00 O ATOM 104 C3' DT A 4 6.823 -4.373 1.521 1.00 0.00 C ATOM 105 O3' DT A 4 6.931 -4.253 0.117 1.00 0.00 O ATOM 106 C2' DT A 4 5.525 -3.707 1.926 1.00 0.00 C ATOM 107 C1' DT A 4 4.558 -4.836 1.590 1.00 0.00 C ATOM 108 N1 DT A 4 3.219 -4.600 2.155 1.00 0.00 N ATOM 109 C2 DT A 4 2.131 -4.322 1.325 1.00 0.00 C ATOM 110 O2 DT A 4 2.210 -4.221 0.107 1.00 0.00 O ATOM 111 N3 DT A 4 0.913 -4.172 1.956 1.00 0.00 N ATOM 112 C4 DT A 4 0.690 -4.248 3.313 1.00 0.00 C ATOM 113 O4 DT A 4 -0.456 -4.118 3.729 1.00 0.00 O ATOM 114 C5 DT A 4 1.886 -4.488 4.113 1.00 0.00 C ATOM 115 C7 DT A 4 1.776 -4.562 5.615 1.00 0.00 C ATOM 116 C6 DT A 4 3.092 -4.659 3.511 1.00 0.00 C ATOM 0 H5' DT A 4 7.110 -7.224 3.522 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.452 -6.275 2.915 1.00 0.00 H new ATOM 0 H4' DT A 4 6.880 -6.513 1.195 1.00 0.00 H new ATOM 0 H3' DT A 4 7.745 -3.970 1.939 1.00 0.00 H new ATOM 0 H2' DT A 4 5.503 -3.435 2.981 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.324 -2.798 1.359 1.00 0.00 H new ATOM 0 H1' DT A 4 4.395 -4.948 0.518 1.00 0.00 H new ATOM 0 H3 DT A 4 0.104 -3.988 1.363 1.00 0.00 H new ATOM 0 H71 DT A 4 0.954 -3.930 5.951 1.00 0.00 H new ATOM 0 H72 DT A 4 1.588 -5.593 5.916 1.00 0.00 H new ATOM 0 H73 DT A 4 2.707 -4.217 6.065 1.00 0.00 H new ATOM 0 H6 DT A 4 3.966 -4.845 4.118 1.00 0.00 H new ATOM 129 P DG A 5 8.257 -4.697 -0.669 1.00 0.00 P ATOM 130 OP1 DG A 5 8.242 -6.170 -0.802 1.00 0.00 O ATOM 131 OP2 DG A 5 9.411 -4.014 -0.044 1.00 0.00 O ATOM 132 O5' DG A 5 7.984 -4.034 -2.104 1.00 0.00 O ATOM 133 C5' DG A 5 8.075 -2.634 -2.279 1.00 0.00 C ATOM 134 C4' DG A 5 7.475 -2.241 -3.628 1.00 0.00 C ATOM 135 O4' DG A 5 6.062 -2.418 -3.600 1.00 0.00 O ATOM 136 C3' DG A 5 7.733 -0.761 -3.937 1.00 0.00 C ATOM 137 O3' DG A 5 8.074 -0.642 -5.313 1.00 0.00 O ATOM 138 C2' DG A 5 6.381 -0.136 -3.613 1.00 0.00 C ATOM 139 C1' DG A 5 5.463 -1.244 -4.107 1.00 0.00 C ATOM 140 N9 DG A 5 4.033 -1.109 -3.721 1.00 0.00 N ATOM 141 C8 DG A 5 2.956 -1.092 -4.575 1.00 0.00 C ATOM 142 N7 DG A 5 1.791 -1.033 -3.990 1.00 0.00 N ATOM 143 C5 DG A 5 2.120 -0.991 -2.633 1.00 0.00 C ATOM 144 C6 DG A 5 1.275 -0.910 -1.477 1.00 0.00 C ATOM 145 O6 DG A 5 0.051 -0.876 -1.431 1.00 0.00 O ATOM 146 N1 DG A 5 1.970 -0.840 -0.287 1.00 0.00 N ATOM 147 C2 DG A 5 3.326 -0.827 -0.209 1.00 0.00 C ATOM 148 N2 DG A 5 3.844 -0.697 0.991 1.00 0.00 N ATOM 149 N3 DG A 5 4.150 -0.898 -1.256 1.00 0.00 N ATOM 150 C4 DG A 5 3.489 -0.995 -2.454 1.00 0.00 C ATOM 0 H5' DG A 5 9.117 -2.319 -2.229 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.548 -2.123 -1.473 1.00 0.00 H new ATOM 0 H4' DG A 5 7.941 -2.871 -4.386 1.00 0.00 H new ATOM 0 H3' DG A 5 8.547 -0.291 -3.385 1.00 0.00 H new ATOM 0 H2' DG A 5 6.258 0.066 -2.549 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.219 0.806 -4.137 1.00 0.00 H new ATOM 0 H1' DG A 5 5.387 -1.230 -5.194 1.00 0.00 H new ATOM 0 H8 DG A 5 3.066 -1.125 -5.649 1.00 0.00 H new ATOM 0 H1 DG A 5 1.437 -0.796 0.581 1.00 0.00 H new ATOM 0 H21 DG A 5 4.857 -0.681 1.110 1.00 0.00 H new ATOM 0 H22 DG A 5 3.233 -0.612 1.804 1.00 0.00 H new ATOM 162 P DG A 6 8.578 0.741 -5.972 1.00 0.00 P ATOM 163 OP1 DG A 6 9.208 0.422 -7.266 1.00 0.00 O ATOM 164 OP2 DG A 6 9.371 1.441 -4.934 1.00 0.00 O ATOM 165 O5' DG A 6 7.206 1.547 -6.236 1.00 0.00 O ATOM 166 C5' DG A 6 6.264 1.080 -7.189 1.00 0.00 C ATOM 167 C4' DG A 6 4.883 1.730 -7.037 1.00 0.00 C ATOM 168 O4' DG A 6 4.310 1.455 -5.769 1.00 0.00 O ATOM 169 C3' DG A 6 4.867 3.252 -7.225 1.00 0.00 C ATOM 170 O3' DG A 6 4.249 3.518 -8.474 1.00 0.00 O ATOM 171 C2' DG A 6 4.059 3.759 -6.022 1.00 0.00 C ATOM 172 C1' DG A 6 3.384 2.487 -5.515 1.00 0.00 C ATOM 173 N9 DG A 6 2.985 2.534 -4.090 1.00 0.00 N ATOM 174 C8 DG A 6 3.753 2.648 -2.953 1.00 0.00 C ATOM 175 N7 DG A 6 3.070 2.638 -1.844 1.00 0.00 N ATOM 176 C5 DG A 6 1.748 2.545 -2.272 1.00 0.00 C ATOM 177 C6 DG A 6 0.530 2.541 -1.522 1.00 0.00 C ATOM 178 O6 DG A 6 0.400 2.597 -0.302 1.00 0.00 O ATOM 179 N1 DG A 6 -0.597 2.497 -2.329 1.00 0.00 N ATOM 180 C2 DG A 6 -0.560 2.484 -3.696 1.00 0.00 C ATOM 181 N2 DG A 6 -1.696 2.524 -4.354 1.00 0.00 N ATOM 182 N3 DG A 6 0.560 2.462 -4.418 1.00 0.00 N ATOM 183 C4 DG A 6 1.685 2.499 -3.646 1.00 0.00 C ATOM 0 H5' DG A 6 6.163 -0.001 -7.092 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.643 1.276 -8.192 1.00 0.00 H new ATOM 0 H4' DG A 6 4.301 1.281 -7.842 1.00 0.00 H new ATOM 0 H3' DG A 6 5.842 3.738 -7.251 1.00 0.00 H new ATOM 0 H2' DG A 6 4.700 4.208 -5.263 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.331 4.516 -6.313 1.00 0.00 H new ATOM 0 H1' DG A 6 2.435 2.335 -6.030 1.00 0.00 H new ATOM 0 H8 DG A 6 4.829 2.738 -2.978 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.510 2.473 -1.875 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.695 2.515 -5.374 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.579 2.564 -3.845 1.00 0.00 H new ATOM 195 P DT A 7 4.077 5.009 -9.063 1.00 0.00 P ATOM 196 OP1 DT A 7 4.039 4.919 -10.537 1.00 0.00 O ATOM 197 OP2 DT A 7 5.006 5.933 -8.376 1.00 0.00 O ATOM 198 O5' DT A 7 2.596 5.298 -8.528 1.00 0.00 O ATOM 199 C5' DT A 7 1.727 6.238 -9.132 1.00 0.00 C ATOM 200 C4' DT A 7 0.295 5.697 -9.077 1.00 0.00 C ATOM 201 O4' DT A 7 0.160 4.631 -10.007 1.00 0.00 O ATOM 202 C3' DT A 7 -0.081 5.145 -7.688 1.00 0.00 C ATOM 203 O3' DT A 7 -1.404 5.495 -7.354 1.00 0.00 O ATOM 204 C2' DT A 7 -0.013 3.641 -7.890 1.00 0.00 C ATOM 205 C1' DT A 7 -0.461 3.547 -9.347 1.00 0.00 C ATOM 206 N1 DT A 7 -0.063 2.268 -9.976 1.00 0.00 N ATOM 207 C2 DT A 7 -1.061 1.447 -10.510 1.00 0.00 C ATOM 208 O2 DT A 7 -2.251 1.739 -10.521 1.00 0.00 O ATOM 209 N3 DT A 7 -0.653 0.243 -11.037 1.00 0.00 N ATOM 210 C4 DT A 7 0.648 -0.221 -11.077 1.00 0.00 C ATOM 211 O4 DT A 7 0.858 -1.318 -11.580 1.00 0.00 O ATOM 212 C5 DT A 7 1.640 0.687 -10.505 1.00 0.00 C ATOM 213 C7 DT A 7 3.117 0.329 -10.504 1.00 0.00 C ATOM 214 C6 DT A 7 1.263 1.887 -9.993 1.00 0.00 C ATOM 0 H5' DT A 7 2.023 6.415 -10.166 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.788 7.195 -8.614 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.365 6.533 -9.310 1.00 0.00 H new ATOM 0 H3' DT A 7 0.565 5.526 -6.897 1.00 0.00 H new ATOM 0 H2' DT A 7 0.991 3.245 -7.737 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.676 3.100 -7.215 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.548 3.586 -9.414 1.00 0.00 H new ATOM 0 H3 DT A 7 -1.374 -0.360 -11.433 1.00 0.00 H new ATOM 0 H71 DT A 7 3.712 1.241 -10.555 1.00 0.00 H new ATOM 0 H72 DT A 7 3.360 -0.212 -9.589 1.00 0.00 H new ATOM 0 H73 DT A 7 3.340 -0.299 -11.367 1.00 0.00 H new ATOM 0 H6 DT A 7 2.013 2.553 -9.593 1.00 0.00 H new ATOM 227 P DG A 8 -1.759 6.972 -6.832 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.075 7.339 -7.387 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.576 7.839 -7.054 1.00 0.00 O ATOM 230 O5' DG A 8 -1.883 6.710 -5.254 1.00 0.00 O ATOM 231 C5' DG A 8 -2.987 6.001 -4.711 1.00 0.00 C ATOM 232 C4' DG A 8 -2.942 5.996 -3.179 1.00 0.00 C ATOM 233 O4' DG A 8 -1.845 5.219 -2.729 1.00 0.00 O ATOM 234 C3' DG A 8 -2.818 7.403 -2.586 1.00 0.00 C ATOM 235 O3' DG A 8 -3.917 7.710 -1.753 1.00 0.00 O ATOM 236 C2' DG A 8 -1.559 7.377 -1.735 1.00 0.00 C ATOM 237 C1' DG A 8 -1.058 5.934 -1.798 1.00 0.00 C ATOM 238 N9 DG A 8 0.355 5.909 -2.229 1.00 0.00 N ATOM 239 C8 DG A 8 0.865 5.987 -3.502 1.00 0.00 C ATOM 240 N7 DG A 8 2.170 6.066 -3.555 1.00 0.00 N ATOM 241 C5 DG A 8 2.555 5.998 -2.208 1.00 0.00 C ATOM 242 C6 DG A 8 3.850 6.010 -1.584 1.00 0.00 C ATOM 243 O6 DG A 8 4.964 6.064 -2.096 1.00 0.00 O ATOM 244 N1 DG A 8 3.799 5.968 -0.200 1.00 0.00 N ATOM 245 C2 DG A 8 2.638 5.915 0.512 1.00 0.00 C ATOM 246 N2 DG A 8 2.717 5.901 1.824 1.00 0.00 N ATOM 247 N3 DG A 8 1.424 5.899 -0.029 1.00 0.00 N ATOM 248 C4 DG A 8 1.446 5.930 -1.394 1.00 0.00 C ATOM 0 H5' DG A 8 -2.982 4.976 -5.081 1.00 0.00 H new ATOM 0 H5'' DG A 8 -3.918 6.457 -5.049 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.886 5.569 -2.842 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.786 8.150 -3.379 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.811 8.070 -2.119 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.772 7.675 -0.708 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.136 5.477 -0.811 1.00 0.00 H new ATOM 0 H8 DG A 8 0.242 5.983 -4.384 1.00 0.00 H new ATOM 0 H1 DG A 8 4.680 5.977 0.315 1.00 0.00 H new ATOM 0 H21 DG A 8 1.867 5.862 2.386 1.00 0.00 H new ATOM 0 H22 DG A 8 3.629 5.929 2.280 1.00 0.00 H new ATOM 260 P DT A 9 -5.139 8.596 -2.307 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.264 8.355 -3.760 1.00 0.00 O ATOM 262 OP2 DT A 9 -4.974 9.967 -1.785 1.00 0.00 O ATOM 263 O5' DT A 9 -6.383 7.901 -1.575 1.00 0.00 O ATOM 264 C5' DT A 9 -7.012 6.754 -2.124 1.00 0.00 C ATOM 265 C4' DT A 9 -8.046 6.206 -1.143 1.00 0.00 C ATOM 266 O4' DT A 9 -7.356 5.711 -0.005 1.00 0.00 O ATOM 267 C3' DT A 9 -9.024 7.284 -0.648 1.00 0.00 C ATOM 268 O3' DT A 9 -10.353 6.797 -0.616 1.00 0.00 O ATOM 269 C2' DT A 9 -8.574 7.537 0.782 1.00 0.00 C ATOM 270 C1' DT A 9 -7.996 6.179 1.161 1.00 0.00 C ATOM 271 N1 DT A 9 -7.069 6.293 2.314 1.00 0.00 N ATOM 272 C2 DT A 9 -7.630 6.395 3.592 1.00 0.00 C ATOM 273 O2 DT A 9 -8.834 6.252 3.825 1.00 0.00 O ATOM 274 N3 DT A 9 -6.758 6.631 4.632 1.00 0.00 N ATOM 275 C4 DT A 9 -5.380 6.591 4.545 1.00 0.00 C ATOM 276 O4 DT A 9 -4.738 6.697 5.584 1.00 0.00 O ATOM 277 C5 DT A 9 -4.852 6.417 3.194 1.00 0.00 C ATOM 278 C7 DT A 9 -3.353 6.377 2.946 1.00 0.00 C ATOM 279 C6 DT A 9 -5.699 6.312 2.134 1.00 0.00 C ATOM 0 H5' DT A 9 -6.266 5.990 -2.344 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.494 7.010 -3.068 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.616 5.436 -1.663 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.017 8.164 -1.290 1.00 0.00 H new ATOM 0 H2' DT A 9 -7.830 8.331 0.844 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.403 7.825 1.428 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.765 5.480 1.489 1.00 0.00 H new ATOM 0 H3 DT A 9 -7.163 6.854 5.541 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.144 5.748 2.080 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.988 7.387 2.758 1.00 0.00 H new ATOM 0 H73 DT A 9 -2.850 5.967 3.822 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.294 6.242 1.135 1.00 0.00 H new ATOM 292 P DG A 10 -11.369 7.106 -1.829 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.254 8.541 -2.164 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.684 6.537 -1.465 1.00 0.00 O ATOM 295 O5' DG A 10 -10.756 6.246 -3.044 1.00 0.00 O ATOM 296 C5' DG A 10 -10.983 4.852 -3.155 1.00 0.00 C ATOM 297 C4' DG A 10 -10.274 4.307 -4.397 1.00 0.00 C ATOM 298 O4' DG A 10 -8.862 4.434 -4.242 1.00 0.00 O ATOM 299 C3' DG A 10 -10.564 2.814 -4.624 1.00 0.00 C ATOM 300 O3' DG A 10 -10.788 2.599 -6.009 1.00 0.00 O ATOM 301 C2' DG A 10 -9.263 2.185 -4.140 1.00 0.00 C ATOM 302 C1' DG A 10 -8.286 3.220 -4.677 1.00 0.00 C ATOM 303 N9 DG A 10 -6.882 3.039 -4.194 1.00 0.00 N ATOM 304 C8 DG A 10 -5.717 2.894 -4.927 1.00 0.00 C ATOM 305 N7 DG A 10 -4.631 2.810 -4.210 1.00 0.00 N ATOM 306 C5 DG A 10 -5.101 2.858 -2.903 1.00 0.00 C ATOM 307 C6 DG A 10 -4.387 2.777 -1.668 1.00 0.00 C ATOM 308 O6 DG A 10 -3.179 2.682 -1.483 1.00 0.00 O ATOM 309 N1 DG A 10 -5.204 2.793 -0.564 1.00 0.00 N ATOM 310 C2 DG A 10 -6.559 2.845 -0.619 1.00 0.00 C ATOM 311 N2 DG A 10 -7.201 2.712 0.521 1.00 0.00 N ATOM 312 N3 DG A 10 -7.257 2.951 -1.748 1.00 0.00 N ATOM 313 C4 DG A 10 -6.475 2.957 -2.874 1.00 0.00 C ATOM 0 H5' DG A 10 -12.053 4.653 -3.219 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.617 4.343 -2.264 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.645 4.884 -5.244 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.441 2.411 -4.118 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.220 2.088 -3.055 1.00 0.00 H new ATOM 0 H2'' DG A 10 -9.095 1.192 -4.556 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.164 3.156 -5.758 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.708 2.854 -6.006 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.764 2.764 0.356 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.220 2.743 0.539 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.680 2.578 1.387 1.00 0.00 H new ATOM 325 P DG A 11 -11.220 1.160 -6.598 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.832 1.383 -7.926 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.968 0.450 -5.541 1.00 0.00 O ATOM 328 O5' DG A 11 -9.790 0.447 -6.811 1.00 0.00 O ATOM 329 C5' DG A 11 -8.897 0.896 -7.814 1.00 0.00 C ATOM 330 C4' DG A 11 -7.534 0.209 -7.708 1.00 0.00 C ATOM 331 O4' DG A 11 -6.942 0.485 -6.446 1.00 0.00 O ATOM 332 C3' DG A 11 -7.595 -1.319 -7.864 1.00 0.00 C ATOM 333 O3' DG A 11 -6.702 -1.711 -8.892 1.00 0.00 O ATOM 334 C2' DG A 11 -7.058 -1.849 -6.540 1.00 0.00 C ATOM 335 C1' DG A 11 -6.210 -0.664 -6.083 1.00 0.00 C ATOM 336 N9 DG A 11 -5.848 -0.651 -4.648 1.00 0.00 N ATOM 337 C8 DG A 11 -6.649 -0.706 -3.529 1.00 0.00 C ATOM 338 N7 DG A 11 -5.988 -0.653 -2.402 1.00 0.00 N ATOM 339 C5 DG A 11 -4.654 -0.607 -2.805 1.00 0.00 C ATOM 340 C6 DG A 11 -3.450 -0.618 -2.033 1.00 0.00 C ATOM 341 O6 DG A 11 -3.335 -0.662 -0.813 1.00 0.00 O ATOM 342 N1 DG A 11 -2.303 -0.623 -2.802 1.00 0.00 N ATOM 343 C2 DG A 11 -2.301 -0.647 -4.165 1.00 0.00 C ATOM 344 N2 DG A 11 -1.142 -0.751 -4.783 1.00 0.00 N ATOM 345 N3 DG A 11 -3.405 -0.631 -4.916 1.00 0.00 N ATOM 346 C4 DG A 11 -4.557 -0.611 -4.175 1.00 0.00 C ATOM 0 H5' DG A 11 -8.768 1.975 -7.730 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.327 0.702 -8.797 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.944 0.612 -8.531 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.595 -1.681 -8.104 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.855 -2.084 -5.835 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.467 -2.756 -6.667 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.235 -0.720 -6.568 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.725 -0.786 -3.578 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.403 -0.608 -2.321 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.108 -0.772 -5.802 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.279 -0.811 -4.242 1.00 0.00 H new ATOM 358 P DT A 12 -6.986 -2.999 -9.811 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.760 -3.284 -10.584 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.270 -2.779 -10.510 1.00 0.00 O ATOM 361 O5' DT A 12 -7.178 -4.184 -8.734 1.00 0.00 O ATOM 362 C5' DT A 12 -8.347 -4.991 -8.742 1.00 0.00 C ATOM 363 C4' DT A 12 -8.257 -6.124 -7.718 1.00 0.00 C ATOM 364 O4' DT A 12 -7.086 -6.882 -7.957 1.00 0.00 O ATOM 365 C3' DT A 12 -8.199 -5.624 -6.274 1.00 0.00 C ATOM 366 O3' DT A 12 -9.395 -5.963 -5.607 1.00 0.00 O ATOM 367 C2' DT A 12 -7.058 -6.389 -5.627 1.00 0.00 C ATOM 368 C1' DT A 12 -6.581 -7.343 -6.726 1.00 0.00 C ATOM 369 N1 DT A 12 -5.100 -7.393 -6.807 1.00 0.00 N ATOM 370 C2 DT A 12 -4.479 -8.614 -6.537 1.00 0.00 C ATOM 371 O2 DT A 12 -5.083 -9.669 -6.372 1.00 0.00 O ATOM 372 N3 DT A 12 -3.108 -8.597 -6.426 1.00 0.00 N ATOM 373 C4 DT A 12 -2.305 -7.479 -6.515 1.00 0.00 C ATOM 374 O4 DT A 12 -1.099 -7.617 -6.342 1.00 0.00 O ATOM 375 C5 DT A 12 -3.011 -6.235 -6.818 1.00 0.00 C ATOM 376 C7 DT A 12 -2.244 -4.925 -6.915 1.00 0.00 C ATOM 377 C6 DT A 12 -4.361 -6.239 -6.994 1.00 0.00 C ATOM 0 H5' DT A 12 -8.493 -5.410 -9.737 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.218 -4.373 -8.525 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.161 -6.721 -7.837 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.064 -4.543 -6.228 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.260 -5.719 -5.306 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.393 -6.933 -4.744 1.00 0.00 H new ATOM 0 H1' DT A 12 -6.940 -8.346 -6.495 1.00 0.00 H new ATOM 0 H3 DT A 12 -2.644 -9.491 -6.263 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.377 -4.962 -6.256 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.913 -4.772 -7.942 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.892 -4.101 -6.616 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.862 -5.327 -7.284 1.00 0.00 H new ATOM 390 P DT A 13 -10.219 -4.860 -4.780 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.549 -5.436 -4.489 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.097 -3.579 -5.502 1.00 0.00 O ATOM 393 O5' DT A 13 -9.388 -4.744 -3.397 1.00 0.00 O ATOM 394 C5' DT A 13 -9.753 -5.531 -2.276 1.00 0.00 C ATOM 395 C4' DT A 13 -9.043 -5.113 -0.989 1.00 0.00 C ATOM 396 O4' DT A 13 -7.673 -5.468 -0.972 1.00 0.00 O ATOM 397 C3' DT A 13 -9.182 -3.622 -0.665 1.00 0.00 C ATOM 398 O3' DT A 13 -9.914 -3.500 0.536 1.00 0.00 O ATOM 399 C2' DT A 13 -7.747 -3.188 -0.453 1.00 0.00 C ATOM 400 C1' DT A 13 -6.978 -4.480 -0.237 1.00 0.00 C ATOM 401 N1 DT A 13 -5.626 -4.315 -0.784 1.00 0.00 N ATOM 402 C2 DT A 13 -4.519 -4.203 0.058 1.00 0.00 C ATOM 403 O2 DT A 13 -4.595 -4.296 1.288 1.00 0.00 O ATOM 404 N3 DT A 13 -3.305 -4.012 -0.585 1.00 0.00 N ATOM 405 C4 DT A 13 -3.110 -3.981 -1.957 1.00 0.00 C ATOM 406 O4 DT A 13 -1.969 -3.874 -2.387 1.00 0.00 O ATOM 407 C5 DT A 13 -4.332 -4.072 -2.753 1.00 0.00 C ATOM 408 C7 DT A 13 -4.287 -4.014 -4.261 1.00 0.00 C ATOM 409 C6 DT A 13 -5.530 -4.209 -2.141 1.00 0.00 C ATOM 0 H5' DT A 13 -9.526 -6.576 -2.485 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.831 -5.462 -2.127 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.561 -5.676 -0.213 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.691 -3.034 -1.428 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.367 -2.642 -1.316 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.657 -2.526 0.408 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.900 -4.749 0.816 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.482 -3.883 0.004 1.00 0.00 H new ATOM 0 H71 DT A 13 -3.441 -3.404 -4.577 1.00 0.00 H new ATOM 0 H72 DT A 13 -4.177 -5.022 -4.661 1.00 0.00 H new ATOM 0 H73 DT A 13 -5.211 -3.574 -4.636 1.00 0.00 H new ATOM 0 H6 DT A 13 -6.429 -4.235 -2.739 1.00 0.00 H new ATOM 422 P DG A 14 -10.463 -2.083 1.053 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.936 -2.092 0.971 1.00 0.00 O ATOM 424 OP2 DG A 14 -9.674 -0.991 0.430 1.00 0.00 O ATOM 425 O5' DG A 14 -10.058 -2.136 2.600 1.00 0.00 O ATOM 426 C5' DG A 14 -10.146 -0.959 3.368 1.00 0.00 C ATOM 427 C4' DG A 14 -9.784 -1.205 4.835 1.00 0.00 C ATOM 428 O4' DG A 14 -8.444 -1.680 4.956 1.00 0.00 O ATOM 429 C3' DG A 14 -9.848 0.127 5.589 1.00 0.00 C ATOM 430 O3' DG A 14 -10.155 -0.104 6.956 1.00 0.00 O ATOM 431 C2' DG A 14 -8.413 0.605 5.424 1.00 0.00 C ATOM 432 C1' DG A 14 -7.690 -0.700 5.651 1.00 0.00 C ATOM 433 N9 DG A 14 -6.280 -0.612 5.219 1.00 0.00 N ATOM 434 C8 DG A 14 -5.186 -0.492 6.028 1.00 0.00 C ATOM 435 N7 DG A 14 -4.042 -0.569 5.407 1.00 0.00 N ATOM 436 C5 DG A 14 -4.413 -0.634 4.062 1.00 0.00 C ATOM 437 C6 DG A 14 -3.611 -0.663 2.874 1.00 0.00 C ATOM 438 O6 DG A 14 -2.386 -0.705 2.791 1.00 0.00 O ATOM 439 N1 DG A 14 -4.360 -0.610 1.709 1.00 0.00 N ATOM 440 C2 DG A 14 -5.723 -0.515 1.683 1.00 0.00 C ATOM 441 N2 DG A 14 -6.328 -0.391 0.523 1.00 0.00 N ATOM 442 N3 DG A 14 -6.491 -0.529 2.768 1.00 0.00 N ATOM 443 C4 DG A 14 -5.783 -0.590 3.934 1.00 0.00 C ATOM 0 H5' DG A 14 -11.159 -0.560 3.306 1.00 0.00 H new ATOM 0 H5'' DG A 14 -9.480 -0.203 2.952 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.481 -1.940 5.237 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.601 0.831 5.234 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.222 1.024 4.436 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.139 1.368 6.152 1.00 0.00 H new ATOM 0 H1' DG A 14 -7.626 -0.964 6.707 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.262 -0.345 7.095 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.864 -0.644 0.818 1.00 0.00 H new ATOM 0 H21 DG A 14 -7.345 -0.319 0.483 1.00 0.00 H new ATOM 0 H22 DG A 14 -5.781 -0.367 -0.338 1.00 0.00 H new ATOM 455 P DG A 15 -10.512 1.100 7.974 1.00 0.00 P ATOM 456 OP1 DG A 15 -11.077 0.505 9.201 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.263 2.125 7.215 1.00 0.00 O ATOM 458 O5' DG A 15 -9.076 1.732 8.349 1.00 0.00 O ATOM 459 C5' DG A 15 -8.180 1.067 9.225 1.00 0.00 C ATOM 460 C4' DG A 15 -6.854 1.830 9.375 1.00 0.00 C ATOM 461 O4' DG A 15 -6.166 1.828 8.133 1.00 0.00 O ATOM 462 C3' DG A 15 -7.049 3.292 9.803 1.00 0.00 C ATOM 463 O3' DG A 15 -6.042 3.673 10.726 1.00 0.00 O ATOM 464 C2' DG A 15 -6.881 4.061 8.499 1.00 0.00 C ATOM 465 C1' DG A 15 -5.880 3.164 7.761 1.00 0.00 C ATOM 466 N9 DG A 15 -5.820 3.249 6.293 1.00 0.00 N ATOM 467 C8 DG A 15 -6.817 3.521 5.404 1.00 0.00 C ATOM 468 N7 DG A 15 -6.492 3.375 4.150 1.00 0.00 N ATOM 469 C5 DG A 15 -5.136 3.031 4.220 1.00 0.00 C ATOM 470 C6 DG A 15 -4.178 2.751 3.191 1.00 0.00 C ATOM 471 O6 DG A 15 -4.354 2.708 1.983 1.00 0.00 O ATOM 472 N1 DG A 15 -2.902 2.503 3.665 1.00 0.00 N ATOM 473 C2 DG A 15 -2.585 2.489 4.989 1.00 0.00 C ATOM 474 N2 DG A 15 -1.328 2.265 5.285 1.00 0.00 N ATOM 475 N3 DG A 15 -3.450 2.716 5.978 1.00 0.00 N ATOM 476 C4 DG A 15 -4.712 2.985 5.527 1.00 0.00 C ATOM 0 H5' DG A 15 -7.981 0.064 8.848 1.00 0.00 H new ATOM 0 H5'' DG A 15 -8.646 0.953 10.204 1.00 0.00 H new ATOM 0 H4' DG A 15 -6.287 1.320 10.154 1.00 0.00 H new ATOM 0 H3' DG A 15 -8.006 3.472 10.292 1.00 0.00 H new ATOM 0 H2' DG A 15 -7.821 4.164 7.957 1.00 0.00 H new ATOM 0 H2'' DG A 15 -6.493 5.067 8.660 1.00 0.00 H new ATOM 0 HO3' DG A 15 -6.176 4.607 10.990 1.00 0.00 H new ATOM 0 H1' DG A 15 -4.899 3.527 8.067 1.00 0.00 H new ATOM 0 H8 DG A 15 -7.803 3.834 5.715 1.00 0.00 H new ATOM 0 H1 DG A 15 -2.161 2.321 2.988 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.030 2.243 6.260 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.648 2.113 4.540 1.00 0.00 H new TER 489 DG A 15