USER MOD reduce.3.24.130724 H: found=0, std=0, add=189, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 190 hydrogens (52 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 NoAdj-H: A 13 HEH H18 : A 13 HEH C18 : A 4 DG N7 :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.275 (180deg=-0.275) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot 168:sc= -0.919! USER MOD Single : A 13 HEH O3E : rot -100:sc= -0.657 USER MOD Single : A 13 HEH O3F : rot 27:sc= 0.0266 USER MOD Single : B 7 DA O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.00458 (180deg=-0.00458) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 10.839 -11.007 -5.043 1.00 0.00 O ATOM 2 C5' DA A 1 10.106 -9.795 -5.115 1.00 0.00 C ATOM 3 C4' DA A 1 10.747 -8.637 -4.335 1.00 0.00 C ATOM 4 O4' DA A 1 10.298 -7.448 -4.955 1.00 0.00 O ATOM 5 C3' DA A 1 10.319 -8.533 -2.866 1.00 0.00 C ATOM 6 O3' DA A 1 11.420 -8.002 -2.122 1.00 0.00 O ATOM 7 C2' DA A 1 9.124 -7.583 -2.933 1.00 0.00 C ATOM 8 C1' DA A 1 9.444 -6.683 -4.131 1.00 0.00 C ATOM 9 N9 DA A 1 8.268 -6.268 -4.923 1.00 0.00 N ATOM 10 C8 DA A 1 7.185 -6.974 -5.308 1.00 0.00 C ATOM 11 N7 DA A 1 6.291 -6.254 -6.015 1.00 0.00 N ATOM 12 C5 DA A 1 6.834 -4.984 -6.103 1.00 0.00 C ATOM 13 C6 DA A 1 6.446 -3.804 -6.668 1.00 0.00 C ATOM 14 N6 DA A 1 5.263 -3.721 -7.299 1.00 0.00 N ATOM 15 N1 DA A 1 7.211 -2.696 -6.592 1.00 0.00 N ATOM 16 C2 DA A 1 8.380 -2.791 -5.933 1.00 0.00 C ATOM 17 N3 DA A 1 8.835 -3.898 -5.349 1.00 0.00 N ATOM 18 C4 DA A 1 8.067 -4.992 -5.430 1.00 0.00 C ATOM 0 H5' DA A 1 9.100 -9.966 -4.732 1.00 0.00 H new ATOM 0 H5'' DA A 1 10.004 -9.504 -6.161 1.00 0.00 H new ATOM 0 H4' DA A 1 11.824 -8.802 -4.347 1.00 0.00 H new ATOM 0 H3' DA A 1 10.049 -9.470 -2.378 1.00 0.00 H new ATOM 0 H2' DA A 1 8.189 -8.125 -3.077 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.019 -7.005 -2.015 1.00 0.00 H new ATOM 0 HO5' DA A 1 10.376 -11.700 -5.558 1.00 0.00 H new ATOM 0 H1' DA A 1 9.881 -5.755 -3.762 1.00 0.00 H new ATOM 0 H8 DA A 1 7.047 -8.019 -5.072 1.00 0.00 H new ATOM 0 H61 DA A 1 4.971 -2.840 -7.722 1.00 0.00 H new ATOM 0 H62 DA A 1 4.657 -4.539 -7.355 1.00 0.00 H new ATOM 0 H2 DA A 1 8.994 -1.905 -5.873 1.00 0.00 H new ATOM 31 P DC A 2 11.226 -7.206 -0.784 1.00 0.00 P ATOM 32 OP1 DC A 2 12.577 -7.209 -0.024 1.00 0.00 O ATOM 33 OP2 DC A 2 10.114 -7.885 0.057 1.00 0.00 O ATOM 34 O5' DC A 2 10.820 -5.724 -1.038 1.00 0.00 O ATOM 35 C5' DC A 2 11.711 -4.898 -1.777 1.00 0.00 C ATOM 36 C4' DC A 2 11.113 -3.502 -1.890 1.00 0.00 C ATOM 37 O4' DC A 2 9.877 -3.569 -2.568 1.00 0.00 O ATOM 38 C3' DC A 2 10.805 -2.870 -0.529 1.00 0.00 C ATOM 39 O3' DC A 2 11.523 -1.638 -0.484 1.00 0.00 O ATOM 40 C2' DC A 2 9.278 -2.719 -0.550 1.00 0.00 C ATOM 41 C1' DC A 2 8.980 -2.618 -2.044 1.00 0.00 C ATOM 42 N1 DC A 2 7.627 -3.016 -2.500 1.00 0.00 N ATOM 43 C2 DC A 2 6.856 -2.116 -3.224 1.00 0.00 C ATOM 44 O2 DC A 2 7.182 -0.961 -3.467 1.00 0.00 O ATOM 45 N3 DC A 2 5.638 -2.592 -3.665 1.00 0.00 N ATOM 46 C4 DC A 2 5.207 -3.816 -3.421 1.00 0.00 C ATOM 47 N4 DC A 2 3.992 -4.159 -3.874 1.00 0.00 N ATOM 48 C5 DC A 2 5.970 -4.707 -2.695 1.00 0.00 C ATOM 49 C6 DC A 2 7.205 -4.257 -2.245 1.00 0.00 C ATOM 0 H5' DC A 2 11.878 -5.318 -2.769 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.681 -4.853 -1.282 1.00 0.00 H new ATOM 0 H4' DC A 2 11.857 -2.902 -2.414 1.00 0.00 H new ATOM 0 H3' DC A 2 11.101 -3.430 0.358 1.00 0.00 H new ATOM 0 H2' DC A 2 8.779 -3.573 -0.093 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.950 -1.831 -0.009 1.00 0.00 H new ATOM 0 H1' DC A 2 9.063 -1.576 -2.352 1.00 0.00 H new ATOM 0 H41 DC A 2 3.630 -5.097 -3.702 1.00 0.00 H new ATOM 0 H42 DC A 2 3.430 -3.482 -4.390 1.00 0.00 H new ATOM 0 H5 DC A 2 5.623 -5.708 -2.486 1.00 0.00 H new ATOM 0 H6 DC A 2 7.837 -4.924 -1.677 1.00 0.00 H new ATOM 61 P DC A 3 11.053 -0.421 0.367 1.00 0.00 P ATOM 62 OP1 DC A 3 12.227 0.592 0.392 1.00 0.00 O ATOM 63 OP2 DC A 3 10.725 -0.928 1.793 1.00 0.00 O ATOM 64 O5' DC A 3 9.767 0.248 -0.241 1.00 0.00 O ATOM 65 C5' DC A 3 9.624 1.664 -0.311 1.00 0.00 C ATOM 66 C4' DC A 3 8.309 2.103 0.334 1.00 0.00 C ATOM 67 O4' DC A 3 7.236 1.744 -0.503 1.00 0.00 O ATOM 68 C3' DC A 3 7.961 1.452 1.675 1.00 0.00 C ATOM 69 O3' DC A 3 8.485 2.220 2.755 1.00 0.00 O ATOM 70 C2' DC A 3 6.437 1.466 1.687 1.00 0.00 C ATOM 71 C1' DC A 3 6.031 1.755 0.230 1.00 0.00 C ATOM 72 N1 DC A 3 5.185 0.710 -0.383 1.00 0.00 N ATOM 73 C2 DC A 3 3.932 1.028 -0.887 1.00 0.00 C ATOM 74 O2 DC A 3 3.481 2.164 -0.907 1.00 0.00 O ATOM 75 N3 DC A 3 3.195 -0.024 -1.397 1.00 0.00 N ATOM 76 C4 DC A 3 3.647 -1.265 -1.402 1.00 0.00 C ATOM 77 N4 DC A 3 2.864 -2.239 -1.879 1.00 0.00 N ATOM 78 C5 DC A 3 4.897 -1.572 -0.906 1.00 0.00 C ATOM 79 C6 DC A 3 5.657 -0.532 -0.399 1.00 0.00 C ATOM 0 H5' DC A 3 9.651 1.987 -1.352 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.462 2.145 0.194 1.00 0.00 H new ATOM 0 H4' DC A 3 8.452 3.172 0.489 1.00 0.00 H new ATOM 0 H3' DC A 3 8.377 0.451 1.788 1.00 0.00 H new ATOM 0 H2' DC A 3 6.036 0.511 2.027 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.054 2.231 2.363 1.00 0.00 H new ATOM 0 H1' DC A 3 5.467 2.688 0.218 1.00 0.00 H new ATOM 0 H41 DC A 3 3.198 -3.203 -1.890 1.00 0.00 H new ATOM 0 H42 DC A 3 1.933 -2.018 -2.232 1.00 0.00 H new ATOM 0 H5 DC A 3 5.269 -2.586 -0.913 1.00 0.00 H new ATOM 0 H6 DC A 3 6.645 -0.732 -0.012 1.00 0.00 H new ATOM 91 P DG A 4 8.519 1.621 4.207 1.00 0.00 P ATOM 92 OP1 DG A 4 9.397 2.558 5.074 1.00 0.00 O ATOM 93 OP2 DG A 4 9.104 0.188 4.174 1.00 0.00 O ATOM 94 O5' DG A 4 7.100 1.558 4.866 1.00 0.00 O ATOM 95 C5' DG A 4 6.372 2.772 5.028 1.00 0.00 C ATOM 96 C4' DG A 4 4.865 2.541 4.841 1.00 0.00 C ATOM 97 O4' DG A 4 4.559 1.214 4.442 1.00 0.00 O ATOM 98 C3' DG A 4 4.019 2.779 6.108 1.00 0.00 C ATOM 99 O3' DG A 4 3.041 3.762 5.808 1.00 0.00 O ATOM 100 C2' DG A 4 3.285 1.475 6.318 1.00 0.00 C ATOM 101 C1' DG A 4 3.253 0.937 4.910 1.00 0.00 C ATOM 102 N9 DG A 4 2.968 -0.499 4.906 1.00 0.00 N ATOM 103 C8 DG A 4 3.725 -1.526 5.305 1.00 0.00 C ATOM 104 N7 DG A 4 3.157 -2.733 5.106 1.00 0.00 N ATOM 105 C5 DG A 4 1.901 -2.453 4.548 1.00 0.00 C ATOM 106 C6 DG A 4 0.786 -3.253 4.095 1.00 0.00 C ATOM 107 O6 DG A 4 0.649 -4.470 4.104 1.00 0.00 O ATOM 108 N1 DG A 4 -0.261 -2.481 3.580 1.00 0.00 N ATOM 109 C2 DG A 4 -0.259 -1.156 3.508 1.00 0.00 C ATOM 110 N2 DG A 4 -1.303 -0.508 2.973 1.00 0.00 N ATOM 111 N3 DG A 4 0.739 -0.401 3.921 1.00 0.00 N ATOM 112 C4 DG A 4 1.799 -1.047 4.427 1.00 0.00 C ATOM 0 H5' DG A 4 6.723 3.509 4.306 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.560 3.183 6.020 1.00 0.00 H new ATOM 0 H4' DG A 4 4.613 3.272 4.073 1.00 0.00 H new ATOM 0 H3' DG A 4 4.619 3.089 6.964 1.00 0.00 H new ATOM 0 H2' DG A 4 3.812 0.810 7.002 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.285 1.625 6.726 1.00 0.00 H new ATOM 0 H1' DG A 4 2.476 1.381 4.288 1.00 0.00 H new ATOM 0 H8 DG A 4 4.703 -1.401 5.747 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.086 -2.972 3.235 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.298 0.511 2.919 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.103 -1.033 2.619 1.00 0.00 H new ATOM 124 P DG A 5 2.400 4.621 6.945 1.00 0.00 P ATOM 125 OP1 DG A 5 3.482 5.576 7.509 1.00 0.00 O ATOM 126 OP2 DG A 5 1.855 3.676 8.046 1.00 0.00 O ATOM 127 O5' DG A 5 1.215 5.481 6.412 1.00 0.00 O ATOM 128 C5' DG A 5 1.320 6.047 5.109 1.00 0.00 C ATOM 129 C4' DG A 5 -0.039 6.049 4.420 1.00 0.00 C ATOM 130 O4' DG A 5 -0.459 4.718 4.174 1.00 0.00 O ATOM 131 C3' DG A 5 -1.151 6.724 5.198 1.00 0.00 C ATOM 132 O3' DG A 5 -1.802 7.570 4.252 1.00 0.00 O ATOM 133 C2' DG A 5 -2.002 5.542 5.668 1.00 0.00 C ATOM 134 C1' DG A 5 -1.778 4.461 4.606 1.00 0.00 C ATOM 135 N9 DG A 5 -1.797 3.080 5.132 1.00 0.00 N ATOM 136 C8 DG A 5 -0.923 2.533 6.000 1.00 0.00 C ATOM 137 N7 DG A 5 -1.175 1.249 6.299 1.00 0.00 N ATOM 138 C5 DG A 5 -2.300 0.924 5.566 1.00 0.00 C ATOM 139 C6 DG A 5 -3.049 -0.291 5.448 1.00 0.00 C ATOM 140 O6 DG A 5 -2.833 -1.365 5.996 1.00 0.00 O ATOM 141 N1 DG A 5 -4.129 -0.189 4.583 1.00 0.00 N ATOM 142 C2 DG A 5 -4.459 0.911 3.918 1.00 0.00 C ATOM 143 N2 DG A 5 -5.549 0.892 3.129 1.00 0.00 N ATOM 144 N3 DG A 5 -3.779 2.057 4.004 1.00 0.00 N ATOM 145 C4 DG A 5 -2.704 2.062 4.824 1.00 0.00 C ATOM 0 H5' DG A 5 2.035 5.478 4.515 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.702 7.066 5.178 1.00 0.00 H new ATOM 0 H4' DG A 5 0.120 6.621 3.506 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.876 7.339 6.055 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.693 5.198 6.655 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.055 5.815 5.740 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.564 4.508 3.852 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.092 3.081 6.419 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.710 -1.017 4.449 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.818 1.728 2.610 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.106 0.041 3.050 1.00 0.00 H new ATOM 157 P DT A 6 -3.177 8.225 4.545 1.00 0.00 P ATOM 158 OP1 DT A 6 -3.397 9.375 3.528 1.00 0.00 O ATOM 159 OP2 DT A 6 -3.172 8.758 6.000 1.00 0.00 O ATOM 160 O5' DT A 6 -4.318 7.171 4.410 1.00 0.00 O ATOM 161 C5' DT A 6 -4.825 6.812 3.130 1.00 0.00 C ATOM 162 C4' DT A 6 -6.252 6.282 3.281 1.00 0.00 C ATOM 163 O4' DT A 6 -6.181 4.922 3.641 1.00 0.00 O ATOM 164 C3' DT A 6 -7.075 6.916 4.420 1.00 0.00 C ATOM 165 O3' DT A 6 -7.737 8.123 4.098 1.00 0.00 O ATOM 166 C2' DT A 6 -7.992 5.788 4.881 1.00 0.00 C ATOM 167 C1' DT A 6 -7.353 4.511 4.315 1.00 0.00 C ATOM 168 N1 DT A 6 -6.921 3.561 5.367 1.00 0.00 N ATOM 169 C2 DT A 6 -7.671 2.420 5.620 1.00 0.00 C ATOM 170 O2 DT A 6 -8.687 2.199 4.975 1.00 0.00 O ATOM 171 N3 DT A 6 -7.238 1.590 6.585 1.00 0.00 N ATOM 172 C4 DT A 6 -6.138 1.779 7.328 1.00 0.00 C ATOM 173 O4 DT A 6 -5.821 0.974 8.191 1.00 0.00 O ATOM 174 C5 DT A 6 -5.360 2.988 7.047 1.00 0.00 C ATOM 175 C7 DT A 6 -4.116 3.268 7.842 1.00 0.00 C ATOM 176 C6 DT A 6 -5.809 3.837 6.049 1.00 0.00 C ATOM 0 H5' DT A 6 -4.189 6.053 2.674 1.00 0.00 H new ATOM 0 H5'' DT A 6 -4.814 7.677 2.466 1.00 0.00 H new ATOM 0 H4' DT A 6 -6.731 6.503 2.327 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.429 7.274 5.221 1.00 0.00 H new ATOM 0 H2' DT A 6 -8.057 5.750 5.968 1.00 0.00 H new ATOM 0 H2'' DT A 6 -9.006 5.923 4.505 1.00 0.00 H new ATOM 0 HO3' DT A 6 -8.231 8.444 4.881 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.089 4.009 3.687 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.789 0.751 6.766 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.410 3.826 7.228 1.00 0.00 H new ATOM 0 H72 DT A 6 -4.372 3.855 8.724 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.663 2.326 8.152 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.252 4.733 5.820 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.456 -2.224 0.366 1.00 0.00 C HETATM 192 O1 HEH A 13 1.665 -2.351 0.985 1.00 0.00 O HETATM 193 C2 HEH A 13 2.303 -3.575 1.208 1.00 0.00 C HETATM 194 C3 HEH A 13 1.681 -4.739 0.796 1.00 0.00 C HETATM 195 C4 HEH A 13 0.379 -4.687 0.130 1.00 0.00 C HETATM 196 O4 HEH A 13 -0.197 -5.705 -0.234 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.243 -3.397 -0.092 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.491 -3.244 -0.767 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.263 -4.440 -1.274 1.00 0.00 C HETATM 200 C6 HEH A 13 -2.015 -1.968 -0.974 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.354 -0.801 -0.530 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.931 0.495 -0.790 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.994 0.546 -1.397 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.260 1.711 -0.356 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.760 3.029 -0.607 1.00 0.00 C HETATM 206 C9 HEH A 13 -1.070 4.141 -0.127 1.00 0.00 C HETATM 207 C10 HEH A 13 0.118 4.029 0.590 1.00 0.00 C HETATM 208 C11 HEH A 13 0.640 2.756 0.822 1.00 0.00 C HETATM 209 O11 HEH A 13 1.813 2.676 1.550 1.00 0.00 O HETATM 210 CBA HEH A 13 -0.014 1.588 0.357 1.00 0.00 C HETATM 211 CCA HEH A 13 -0.101 -0.909 0.158 1.00 0.00 C HETATM 212 C12 HEH A 13 0.566 0.288 0.597 1.00 0.00 C HETATM 213 OCC HEH A 13 1.656 0.212 1.158 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.953 3.293 -1.507 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.929 4.631 -1.976 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.807 4.954 -3.038 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.584 6.440 -3.349 1.00 0.00 C HETATM 218 C3E HEH A 13 -5.259 4.631 -2.623 1.00 0.00 C HETATM 219 O3E HEH A 13 -6.176 4.648 -3.703 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.336 3.224 -2.019 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.708 2.721 -1.850 1.00 0.00 N HETATM 222 C2X HEH A 13 -6.743 1.528 -1.003 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.791 3.631 -1.451 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.328 3.098 -0.863 1.00 0.00 C HETATM 225 C6F HEH A 13 0.784 5.270 1.146 1.00 0.00 C HETATM 226 O1F HEH A 13 0.151 6.470 0.735 1.00 0.00 O HETATM 227 C2F HEH A 13 0.507 6.975 -0.539 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.331 8.228 -0.801 1.00 0.00 C HETATM 229 C3F HEH A 13 2.025 7.257 -0.594 1.00 0.00 C HETATM 230 O3F HEH A 13 2.260 8.254 0.388 1.00 0.00 O HETATM 231 C4F HEH A 13 2.829 5.957 -0.311 1.00 0.00 C HETATM 232 N4F HEH A 13 4.315 6.074 -0.255 1.00 0.00 N HETATM 233 C5X HEH A 13 4.931 6.813 -1.375 1.00 0.00 C HETATM 234 C1B HEH A 13 4.952 6.350 1.053 1.00 0.00 C HETATM 235 C1C HEH A 13 2.551 4.915 -1.423 1.00 0.00 C HETATM 236 C5F HEH A 13 2.310 5.439 1.044 1.00 0.00 C HETATM 237 C14 HEH A 13 3.655 -3.548 1.865 1.00 0.00 C HETATM 238 O14 HEH A 13 4.593 -4.598 1.539 1.00 0.00 O HETATM 239 C15 HEH A 13 4.309 -2.176 1.999 1.00 0.00 C HETATM 240 C16 HEH A 13 3.951 -4.634 2.830 1.00 0.00 C HETATM 241 C17 HEH A 13 4.745 -4.291 4.091 1.00 0.00 C HETATM 242 O17 HEH A 13 5.639 -5.340 4.368 1.00 0.00 O HETATM 243 C18 HEH A 13 3.796 -4.053 5.286 1.00 0.00 C HETATM 244 C19 HEH A 13 4.586 -4.078 6.602 1.00 0.00 C HETATM 0 HMC3 HEH A 13 5.069 -5.048 6.718 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.344 -3.295 6.586 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.907 -3.909 7.437 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.446 -1.740 1.009 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.671 -1.525 2.597 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.278 -2.281 2.487 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.655 -4.986 -1.995 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.510 -5.094 -0.438 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -3.181 -4.103 -1.755 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.389 7.969 -0.781 1.00 0.00 H new HETATM 0 HM72 HEH A 13 -0.125 8.971 -0.031 1.00 0.00 H new HETATM 0 HM71 HEH A 13 -0.076 8.638 -1.778 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.486 4.682 -1.446 1.00 0.00 H new HETATM 0 HM42 HEH A 13 2.854 5.323 -2.388 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.117 4.006 -1.220 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.808 7.035 -2.463 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.546 6.599 -3.640 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -4.240 6.743 -4.165 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.583 7.298 1.445 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.709 5.550 1.752 1.00 0.00 H new HETATM 0 HK61 HEH A 13 6.033 6.406 0.927 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.695 6.313 -2.314 1.00 0.00 H new HETATM 0 HK52 HEH A 13 4.541 7.831 -1.398 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.012 6.842 -1.241 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.557 4.073 -0.483 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.895 4.421 -2.195 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.726 3.075 -1.379 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -6.142 0.741 -1.458 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.341 1.769 -0.019 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -7.772 1.185 -0.900 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.630 5.070 2.206 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.635 6.126 1.825 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.349 7.599 -1.577 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.300 6.246 -1.322 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.843 2.550 -2.297 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.402 2.124 -0.380 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -4.992 2.476 -2.734 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.531 5.410 -1.911 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.615 4.369 -3.937 1.00 0.00 H new HETATM 0 H11D HEH A 13 1.975 1.744 1.808 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.555 5.093 -0.396 1.00 0.00 H new HETATM 0 HNE HEH A 13 -6.936 2.527 -2.825 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.475 5.134 -0.320 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.967 -1.868 -1.496 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.780 4.477 1.250 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.513 3.849 -0.095 1.00 0.00 H new HETATM 0 H3F HEH A 13 1.577 8.191 1.088 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.663 5.498 -3.705 1.00 0.00 H new HETATM 0 H3 HEH A 13 2.163 -5.701 0.968 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.306 -3.371 3.926 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.371 -5.378 3.377 1.00 0.00 H new ATOM 297 O5' DA B 7 -9.207 -8.154 9.241 1.00 0.00 O ATOM 298 C5' DA B 7 -10.577 -7.804 9.093 1.00 0.00 C ATOM 299 C4' DA B 7 -10.938 -7.321 7.680 1.00 0.00 C ATOM 300 O4' DA B 7 -10.420 -6.018 7.530 1.00 0.00 O ATOM 301 C3' DA B 7 -10.360 -8.144 6.525 1.00 0.00 C ATOM 302 O3' DA B 7 -11.315 -8.133 5.466 1.00 0.00 O ATOM 303 C2' DA B 7 -9.088 -7.380 6.158 1.00 0.00 C ATOM 304 C1' DA B 7 -9.400 -5.938 6.560 1.00 0.00 C ATOM 305 N9 DA B 7 -8.271 -5.204 7.161 1.00 0.00 N ATOM 306 C8 DA B 7 -7.366 -5.590 8.085 1.00 0.00 C ATOM 307 N7 DA B 7 -6.500 -4.615 8.432 1.00 0.00 N ATOM 308 C5 DA B 7 -6.876 -3.510 7.686 1.00 0.00 C ATOM 309 C6 DA B 7 -6.448 -2.218 7.574 1.00 0.00 C ATOM 310 N6 DA B 7 -5.392 -1.777 8.280 1.00 0.00 N ATOM 311 N1 DA B 7 -7.060 -1.346 6.749 1.00 0.00 N ATOM 312 C2 DA B 7 -8.102 -1.785 6.025 1.00 0.00 C ATOM 313 N3 DA B 7 -8.586 -3.022 6.065 1.00 0.00 N ATOM 314 C4 DA B 7 -7.977 -3.880 6.895 1.00 0.00 C ATOM 0 H5' DA B 7 -10.823 -7.021 9.810 1.00 0.00 H new ATOM 0 H5'' DA B 7 -11.193 -8.668 9.341 1.00 0.00 H new ATOM 0 H4' DA B 7 -12.023 -7.401 7.614 1.00 0.00 H new ATOM 0 H3' DA B 7 -10.145 -9.188 6.753 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.221 -7.766 6.694 1.00 0.00 H new ATOM 0 H2'' DA B 7 -8.866 -7.460 5.094 1.00 0.00 H new ATOM 0 HO5' DA B 7 -9.043 -8.451 10.160 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.668 -5.392 5.655 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.338 -6.584 8.506 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.084 -0.809 8.186 1.00 0.00 H new ATOM 0 H62 DA B 7 -4.899 -2.410 8.910 1.00 0.00 H new ATOM 0 H2 DA B 7 -8.582 -1.081 5.361 1.00 0.00 H new ATOM 327 P DC B 8 -10.926 -8.592 4.023 1.00 0.00 P ATOM 328 OP1 DC B 8 -12.193 -9.161 3.335 1.00 0.00 O ATOM 329 OP2 DC B 8 -9.804 -9.660 4.101 1.00 0.00 O ATOM 330 O5' DC B 8 -10.407 -7.400 3.172 1.00 0.00 O ATOM 331 C5' DC B 8 -11.237 -6.251 3.045 1.00 0.00 C ATOM 332 C4' DC B 8 -10.470 -5.163 2.303 1.00 0.00 C ATOM 333 O4' DC B 8 -9.458 -4.667 3.151 1.00 0.00 O ATOM 334 C3' DC B 8 -9.743 -5.664 1.047 1.00 0.00 C ATOM 335 O3' DC B 8 -10.384 -5.135 -0.112 1.00 0.00 O ATOM 336 C2' DC B 8 -8.317 -5.146 1.222 1.00 0.00 C ATOM 337 C1' DC B 8 -8.410 -4.139 2.374 1.00 0.00 C ATOM 338 N1 DC B 8 -7.217 -4.058 3.249 1.00 0.00 N ATOM 339 C2 DC B 8 -6.570 -2.843 3.445 1.00 0.00 C ATOM 340 O2 DC B 8 -6.918 -1.770 2.962 1.00 0.00 O ATOM 341 N3 DC B 8 -5.463 -2.885 4.269 1.00 0.00 N ATOM 342 C4 DC B 8 -5.031 -3.996 4.843 1.00 0.00 C ATOM 343 N4 DC B 8 -3.938 -3.940 5.613 1.00 0.00 N ATOM 344 C5 DC B 8 -5.677 -5.198 4.651 1.00 0.00 C ATOM 345 C6 DC B 8 -6.793 -5.184 3.829 1.00 0.00 C ATOM 0 H5' DC B 8 -11.538 -5.894 4.030 1.00 0.00 H new ATOM 0 H5'' DC B 8 -12.149 -6.504 2.504 1.00 0.00 H new ATOM 0 H4' DC B 8 -11.212 -4.420 2.012 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.754 -6.747 0.922 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.627 -5.956 1.458 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.952 -4.673 0.310 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.535 -3.134 1.972 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.588 -4.785 6.065 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.454 -3.052 5.748 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.330 -6.108 5.119 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.331 -6.104 3.654 1.00 0.00 H new ATOM 357 P DC B 9 -9.699 -5.219 -1.521 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.810 -5.202 -2.599 1.00 0.00 O ATOM 359 OP2 DC B 9 -8.850 -6.514 -1.607 1.00 0.00 O ATOM 360 O5' DC B 9 -8.760 -4.005 -1.794 1.00 0.00 O ATOM 361 C5' DC B 9 -9.147 -2.720 -1.322 1.00 0.00 C ATOM 362 C4' DC B 9 -7.910 -1.861 -1.079 1.00 0.00 C ATOM 363 O4' DC B 9 -7.129 -2.366 -0.015 1.00 0.00 O ATOM 364 C3' DC B 9 -6.944 -1.792 -2.269 1.00 0.00 C ATOM 365 O3' DC B 9 -7.072 -0.539 -2.945 1.00 0.00 O ATOM 366 C2' DC B 9 -5.566 -1.893 -1.628 1.00 0.00 C ATOM 367 C1' DC B 9 -5.824 -1.832 -0.116 1.00 0.00 C ATOM 368 N1 DC B 9 -4.894 -2.651 0.702 1.00 0.00 N ATOM 369 C2 DC B 9 -3.898 -2.039 1.454 1.00 0.00 C ATOM 370 O2 DC B 9 -3.725 -0.828 1.497 1.00 0.00 O ATOM 371 N3 DC B 9 -3.064 -2.884 2.169 1.00 0.00 N ATOM 372 C4 DC B 9 -3.202 -4.200 2.151 1.00 0.00 C ATOM 373 N4 DC B 9 -2.343 -4.968 2.847 1.00 0.00 N ATOM 374 C5 DC B 9 -4.200 -4.803 1.409 1.00 0.00 C ATOM 375 C6 DC B 9 -5.039 -3.974 0.681 1.00 0.00 C ATOM 0 H5' DC B 9 -9.718 -2.819 -0.399 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.799 -2.237 -2.050 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.328 -0.875 -0.874 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.133 -2.572 -3.006 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.069 -2.822 -1.906 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.920 -1.077 -1.951 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.689 -0.819 0.263 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.444 -5.983 2.838 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.592 -4.535 3.384 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.321 -5.876 1.397 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.826 -4.410 0.085 1.00 0.00 H new ATOM 387 P DG B 10 -7.377 -0.417 -4.486 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.774 0.247 -4.597 1.00 0.00 O ATOM 389 OP2 DG B 10 -7.364 -1.806 -5.171 1.00 0.00 O ATOM 390 O5' DG B 10 -6.305 0.470 -5.216 1.00 0.00 O ATOM 391 C5' DG B 10 -6.669 1.523 -6.111 1.00 0.00 C ATOM 392 C4' DG B 10 -5.575 2.599 -6.091 1.00 0.00 C ATOM 393 O4' DG B 10 -4.646 2.249 -5.079 1.00 0.00 O ATOM 394 C3' DG B 10 -4.779 2.735 -7.394 1.00 0.00 C ATOM 395 O3' DG B 10 -4.525 4.128 -7.609 1.00 0.00 O ATOM 396 C2' DG B 10 -3.528 1.918 -7.105 1.00 0.00 C ATOM 397 C1' DG B 10 -3.346 2.043 -5.591 1.00 0.00 C ATOM 398 N9 DG B 10 -2.758 0.815 -5.019 1.00 0.00 N ATOM 399 C8 DG B 10 -3.154 -0.468 -5.160 1.00 0.00 C ATOM 400 N7 DG B 10 -2.315 -1.365 -4.608 1.00 0.00 N ATOM 401 C5 DG B 10 -1.296 -0.607 -4.059 1.00 0.00 C ATOM 402 C6 DG B 10 -0.104 -0.952 -3.343 1.00 0.00 C ATOM 403 O6 DG B 10 0.321 -2.062 -3.056 1.00 0.00 O ATOM 404 N1 DG B 10 0.637 0.154 -2.942 1.00 0.00 N ATOM 405 C2 DG B 10 0.301 1.411 -3.191 1.00 0.00 C ATOM 406 N2 DG B 10 1.091 2.397 -2.742 1.00 0.00 N ATOM 407 N3 DG B 10 -0.786 1.760 -3.863 1.00 0.00 N ATOM 408 C4 DG B 10 -1.576 0.758 -4.295 1.00 0.00 C ATOM 0 H5' DG B 10 -7.626 1.954 -5.816 1.00 0.00 H new ATOM 0 H5'' DG B 10 -6.794 1.132 -7.121 1.00 0.00 H new ATOM 0 H4' DG B 10 -6.085 3.548 -5.926 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.269 2.381 -8.301 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.652 0.878 -7.408 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.664 2.306 -7.644 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.666 2.856 -5.337 1.00 0.00 H new ATOM 0 H8 DG B 10 -4.063 -0.750 -5.670 1.00 0.00 H new ATOM 0 H1 DG B 10 1.498 -0.014 -2.421 1.00 0.00 H new ATOM 0 H21 DG B 10 0.846 3.370 -2.925 1.00 0.00 H new ATOM 0 H22 DG B 10 1.937 2.174 -2.217 1.00 0.00 H new ATOM 420 P DG B 11 -3.233 4.652 -8.327 1.00 0.00 P ATOM 421 OP1 DG B 11 -3.474 6.131 -8.723 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.973 3.784 -9.585 1.00 0.00 O ATOM 423 O5' DG B 11 -1.973 4.562 -7.408 1.00 0.00 O ATOM 424 C5' DG B 11 -1.739 5.551 -6.410 1.00 0.00 C ATOM 425 C4' DG B 11 -0.255 5.540 -6.062 1.00 0.00 C ATOM 426 O4' DG B 11 0.087 4.257 -5.573 1.00 0.00 O ATOM 427 C3' DG B 11 0.629 5.789 -7.288 1.00 0.00 C ATOM 428 O3' DG B 11 1.480 6.895 -7.000 1.00 0.00 O ATOM 429 C2' DG B 11 1.397 4.479 -7.458 1.00 0.00 C ATOM 430 C1' DG B 11 1.335 3.833 -6.081 1.00 0.00 C ATOM 431 N9 DG B 11 1.369 2.359 -6.136 1.00 0.00 N ATOM 432 C8 DG B 11 0.485 1.510 -6.698 1.00 0.00 C ATOM 433 N7 DG B 11 0.802 0.210 -6.537 1.00 0.00 N ATOM 434 C5 DG B 11 1.983 0.208 -5.815 1.00 0.00 C ATOM 435 C6 DG B 11 2.823 -0.845 -5.315 1.00 0.00 C ATOM 436 O6 DG B 11 2.674 -2.058 -5.407 1.00 0.00 O ATOM 437 N1 DG B 11 3.930 -0.371 -4.627 1.00 0.00 N ATOM 438 C2 DG B 11 4.210 0.911 -4.430 1.00 0.00 C ATOM 439 N2 DG B 11 5.330 1.248 -3.770 1.00 0.00 N ATOM 440 N3 DG B 11 3.451 1.905 -4.875 1.00 0.00 N ATOM 441 C4 DG B 11 2.347 1.554 -5.563 1.00 0.00 C ATOM 0 H5' DG B 11 -2.338 5.344 -5.523 1.00 0.00 H new ATOM 0 H5'' DG B 11 -2.036 6.535 -6.774 1.00 0.00 H new ATOM 0 H4' DG B 11 -0.089 6.330 -5.330 1.00 0.00 H new ATOM 0 H3' DG B 11 0.092 6.039 -8.203 1.00 0.00 H new ATOM 0 H2' DG B 11 0.940 3.844 -8.217 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.426 4.657 -7.769 1.00 0.00 H new ATOM 0 H1' DG B 11 2.192 4.120 -5.472 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.396 1.841 -7.228 1.00 0.00 H new ATOM 0 H1 DG B 11 4.578 -1.060 -4.244 1.00 0.00 H new ATOM 0 H21 DG B 11 5.554 2.231 -3.614 1.00 0.00 H new ATOM 0 H22 DG B 11 5.957 0.521 -3.425 1.00 0.00 H new ATOM 453 P DT B 12 2.636 7.288 -7.974 1.00 0.00 P ATOM 454 OP1 DT B 12 2.976 8.784 -7.752 1.00 0.00 O ATOM 455 OP2 DT B 12 2.205 7.018 -9.438 1.00 0.00 O ATOM 456 O5' DT B 12 3.913 6.450 -7.667 1.00 0.00 O ATOM 457 C5' DT B 12 4.382 6.428 -6.324 1.00 0.00 C ATOM 458 C4' DT B 12 5.814 5.892 -6.249 1.00 0.00 C ATOM 459 O4' DT B 12 5.711 4.499 -6.076 1.00 0.00 O ATOM 460 C3' DT B 12 6.688 6.101 -7.506 1.00 0.00 C ATOM 461 O3' DT B 12 7.782 6.966 -7.263 1.00 0.00 O ATOM 462 C2' DT B 12 7.209 4.708 -7.844 1.00 0.00 C ATOM 463 C1' DT B 12 6.802 3.825 -6.659 1.00 0.00 C ATOM 464 N1 DT B 12 6.265 2.499 -7.043 1.00 0.00 N ATOM 465 C2 DT B 12 6.908 1.331 -6.650 1.00 0.00 C ATOM 466 O2 DT B 12 7.946 1.389 -6.007 1.00 0.00 O ATOM 467 N3 DT B 12 6.352 0.159 -7.017 1.00 0.00 N ATOM 468 C4 DT B 12 5.226 0.038 -7.740 1.00 0.00 C ATOM 469 O4 DT B 12 4.781 -1.063 -8.026 1.00 0.00 O ATOM 470 C5 DT B 12 4.570 1.283 -8.150 1.00 0.00 C ATOM 471 C7 DT B 12 3.325 1.224 -8.991 1.00 0.00 C ATOM 472 C6 DT B 12 5.143 2.479 -7.760 1.00 0.00 C ATOM 0 H5' DT B 12 3.725 5.806 -5.716 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.345 7.434 -5.906 1.00 0.00 H new ATOM 0 H4' DT B 12 6.297 6.442 -5.442 1.00 0.00 H new ATOM 0 H3' DT B 12 6.111 6.561 -8.308 1.00 0.00 H new ATOM 0 H2' DT B 12 6.776 4.341 -8.775 1.00 0.00 H new ATOM 0 H2'' DT B 12 8.291 4.714 -7.977 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.307 7.068 -8.084 1.00 0.00 H new ATOM 0 H1' DT B 12 7.681 3.664 -6.035 1.00 0.00 H new ATOM 0 H3 DT B 12 6.820 -0.699 -6.724 1.00 0.00 H new ATOM 0 H71 DT B 12 2.697 2.088 -8.772 1.00 0.00 H new ATOM 0 H72 DT B 12 3.598 1.232 -10.046 1.00 0.00 H new ATOM 0 H73 DT B 12 2.776 0.310 -8.765 1.00 0.00 H new ATOM 0 H6 DT B 12 4.674 3.410 -8.041 1.00 0.00 H new TER 486 DT B 12