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= -0.0204 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.132 (180deg=-0.132) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot 169:sc= -0.661! USER MOD Single : A 13 HEH O3E : rot -150:sc= 0 USER MOD Single : A 13 HEH O3F : rot 31:sc=-0.00763 USER MOD Single : B 7 DA O5' : rot 180:sc= -0.0404 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.4 (180deg=-1.4) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 11.121 -10.774 -4.069 1.00 0.00 O ATOM 2 C5' DA A 1 11.528 -9.766 -4.974 1.00 0.00 C ATOM 3 C4' DA A 1 11.190 -8.338 -4.510 1.00 0.00 C ATOM 4 O4' DA A 1 9.898 -8.032 -4.981 1.00 0.00 O ATOM 5 C3' DA A 1 11.117 -8.065 -2.988 1.00 0.00 C ATOM 6 O3' DA A 1 12.066 -7.054 -2.647 1.00 0.00 O ATOM 7 C2' DA A 1 9.705 -7.510 -2.785 1.00 0.00 C ATOM 8 C1' DA A 1 9.375 -7.004 -4.180 1.00 0.00 C ATOM 9 N9 DA A 1 7.959 -6.812 -4.527 1.00 0.00 N ATOM 10 C8 DA A 1 6.870 -7.575 -4.309 1.00 0.00 C ATOM 11 N7 DA A 1 5.741 -7.066 -4.851 1.00 0.00 N ATOM 12 C5 DA A 1 6.130 -5.885 -5.470 1.00 0.00 C ATOM 13 C6 DA A 1 5.512 -4.898 -6.188 1.00 0.00 C ATOM 14 N6 DA A 1 4.188 -4.923 -6.426 1.00 0.00 N ATOM 15 N1 DA A 1 6.205 -3.846 -6.667 1.00 0.00 N ATOM 16 C2 DA A 1 7.522 -3.786 -6.417 1.00 0.00 C ATOM 17 N3 DA A 1 8.205 -4.690 -5.729 1.00 0.00 N ATOM 18 C4 DA A 1 7.511 -5.733 -5.261 1.00 0.00 C ATOM 0 H5' DA A 1 11.055 -9.945 -5.939 1.00 0.00 H new ATOM 0 H5'' DA A 1 12.604 -9.842 -5.128 1.00 0.00 H new ATOM 0 H4' DA A 1 12.018 -7.744 -4.896 1.00 0.00 H new ATOM 0 H3' DA A 1 11.325 -8.948 -2.384 1.00 0.00 H new ATOM 0 H2' DA A 1 9.007 -8.277 -2.451 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.681 -6.712 -2.043 1.00 0.00 H new ATOM 0 HO5' DA A 1 11.365 -11.653 -4.427 1.00 0.00 H new ATOM 0 H1' DA A 1 9.777 -5.998 -4.300 1.00 0.00 H new ATOM 0 H8 DA A 1 6.897 -8.502 -3.756 1.00 0.00 H new ATOM 0 H61 DA A 1 3.752 -4.174 -6.964 1.00 0.00 H new ATOM 0 H62 DA A 1 3.620 -5.691 -6.068 1.00 0.00 H new ATOM 0 H2 DA A 1 8.066 -2.938 -6.805 1.00 0.00 H new ATOM 31 P DC A 2 12.240 -6.587 -1.152 1.00 0.00 P ATOM 32 OP1 DC A 2 13.760 -6.544 -0.848 1.00 0.00 O ATOM 33 OP2 DC A 2 11.515 -7.576 -0.203 1.00 0.00 O ATOM 34 O5' DC A 2 11.660 -5.154 -0.887 1.00 0.00 O ATOM 35 C5' DC A 2 12.315 -4.036 -1.482 1.00 0.00 C ATOM 36 C4' DC A 2 11.313 -2.947 -1.874 1.00 0.00 C ATOM 37 O4' DC A 2 10.120 -3.500 -2.396 1.00 0.00 O ATOM 38 C3' DC A 2 10.859 -2.012 -0.736 1.00 0.00 C ATOM 39 O3' DC A 2 11.249 -0.681 -1.074 1.00 0.00 O ATOM 40 C2' DC A 2 9.344 -2.086 -0.786 1.00 0.00 C ATOM 41 C1' DC A 2 9.110 -2.531 -2.223 1.00 0.00 C ATOM 42 N1 DC A 2 7.772 -3.099 -2.480 1.00 0.00 N ATOM 43 C2 DC A 2 6.874 -2.355 -3.225 1.00 0.00 C ATOM 44 O2 DC A 2 7.094 -1.231 -3.660 1.00 0.00 O ATOM 45 N3 DC A 2 5.646 -2.934 -3.429 1.00 0.00 N ATOM 46 C4 DC A 2 5.313 -4.116 -2.949 1.00 0.00 C ATOM 47 N4 DC A 2 4.070 -4.550 -3.198 1.00 0.00 N ATOM 48 C5 DC A 2 6.206 -4.858 -2.201 1.00 0.00 C ATOM 49 C6 DC A 2 7.462 -4.300 -1.987 1.00 0.00 C ATOM 0 H5' DC A 2 12.865 -4.362 -2.365 1.00 0.00 H new ATOM 0 H5'' DC A 2 13.046 -3.627 -0.784 1.00 0.00 H new ATOM 0 H4' DC A 2 11.878 -2.368 -2.605 1.00 0.00 H new ATOM 0 H3' DC A 2 11.274 -2.279 0.236 1.00 0.00 H new ATOM 0 H2' DC A 2 8.944 -2.799 -0.065 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.879 -1.123 -0.574 1.00 0.00 H new ATOM 0 H1' DC A 2 9.149 -1.693 -2.919 1.00 0.00 H new ATOM 0 H41 DC A 2 3.767 -5.459 -2.847 1.00 0.00 H new ATOM 0 H42 DC A 2 3.427 -3.972 -3.739 1.00 0.00 H new ATOM 0 H5 DC A 2 5.942 -5.826 -1.801 1.00 0.00 H new ATOM 0 H6 DC A 2 8.197 -4.846 -1.414 1.00 0.00 H new ATOM 61 P DC A 3 11.670 0.362 0.019 1.00 0.00 P ATOM 62 OP1 DC A 3 12.573 1.415 -0.675 1.00 0.00 O ATOM 63 OP2 DC A 3 12.433 -0.349 1.165 1.00 0.00 O ATOM 64 O5' DC A 3 10.439 1.117 0.633 1.00 0.00 O ATOM 65 C5' DC A 3 9.690 2.003 -0.198 1.00 0.00 C ATOM 66 C4' DC A 3 8.290 2.292 0.371 1.00 0.00 C ATOM 67 O4' DC A 3 7.281 1.834 -0.503 1.00 0.00 O ATOM 68 C3' DC A 3 7.916 1.614 1.688 1.00 0.00 C ATOM 69 O3' DC A 3 8.396 2.366 2.797 1.00 0.00 O ATOM 70 C2' DC A 3 6.393 1.613 1.655 1.00 0.00 C ATOM 71 C1' DC A 3 6.038 1.850 0.175 1.00 0.00 C ATOM 72 N1 DC A 3 5.201 0.773 -0.391 1.00 0.00 N ATOM 73 C2 DC A 3 3.921 1.041 -0.860 1.00 0.00 C ATOM 74 O2 DC A 3 3.418 2.157 -0.893 1.00 0.00 O ATOM 75 N3 DC A 3 3.202 -0.050 -1.304 1.00 0.00 N ATOM 76 C4 DC A 3 3.684 -1.279 -1.282 1.00 0.00 C ATOM 77 N4 DC A 3 2.908 -2.286 -1.694 1.00 0.00 N ATOM 78 C5 DC A 3 4.957 -1.535 -0.818 1.00 0.00 C ATOM 79 C6 DC A 3 5.703 -0.458 -0.379 1.00 0.00 C ATOM 0 H5' DC A 3 9.593 1.569 -1.193 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.235 2.940 -0.310 1.00 0.00 H new ATOM 0 H4' DC A 3 8.346 3.371 0.514 1.00 0.00 H new ATOM 0 H3' DC A 3 8.344 0.618 1.795 1.00 0.00 H new ATOM 0 H2' DC A 3 5.989 0.666 2.013 1.00 0.00 H new ATOM 0 H2'' DC A 3 5.982 2.396 2.292 1.00 0.00 H new ATOM 0 H1' DC A 3 5.476 2.778 0.073 1.00 0.00 H new ATOM 0 H41 DC A 3 3.264 -3.242 -1.684 1.00 0.00 H new ATOM 0 H42 DC A 3 1.959 -2.099 -2.019 1.00 0.00 H new ATOM 0 H5 DC A 3 5.356 -2.539 -0.798 1.00 0.00 H new ATOM 0 H6 DC A 3 6.709 -0.619 -0.021 1.00 0.00 H new ATOM 91 P DG A 4 8.431 1.722 4.228 1.00 0.00 P ATOM 92 OP1 DG A 4 9.346 2.606 5.112 1.00 0.00 O ATOM 93 OP2 DG A 4 8.973 0.272 4.140 1.00 0.00 O ATOM 94 O5' DG A 4 7.018 1.687 4.906 1.00 0.00 O ATOM 95 C5' DG A 4 6.303 2.912 5.037 1.00 0.00 C ATOM 96 C4' DG A 4 4.787 2.685 4.948 1.00 0.00 C ATOM 97 O4' DG A 4 4.455 1.379 4.499 1.00 0.00 O ATOM 98 C3' DG A 4 4.027 2.857 6.281 1.00 0.00 C ATOM 99 O3' DG A 4 2.966 3.767 6.041 1.00 0.00 O ATOM 100 C2' DG A 4 3.396 1.505 6.509 1.00 0.00 C ATOM 101 C1' DG A 4 3.206 1.061 5.079 1.00 0.00 C ATOM 102 N9 DG A 4 2.907 -0.370 5.016 1.00 0.00 N ATOM 103 C8 DG A 4 3.650 -1.417 5.384 1.00 0.00 C ATOM 104 N7 DG A 4 3.067 -2.610 5.159 1.00 0.00 N ATOM 105 C5 DG A 4 1.818 -2.299 4.605 1.00 0.00 C ATOM 106 C6 DG A 4 0.696 -3.074 4.130 1.00 0.00 C ATOM 107 O6 DG A 4 0.551 -4.289 4.105 1.00 0.00 O ATOM 108 N1 DG A 4 -0.342 -2.276 3.638 1.00 0.00 N ATOM 109 C2 DG A 4 -0.328 -0.948 3.605 1.00 0.00 C ATOM 110 N2 DG A 4 -1.362 -0.266 3.091 1.00 0.00 N ATOM 111 N3 DG A 4 0.679 -0.218 4.037 1.00 0.00 N ATOM 112 C4 DG A 4 1.733 -0.890 4.522 1.00 0.00 C ATOM 0 H5' DG A 4 6.616 3.604 4.255 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.548 3.378 5.991 1.00 0.00 H new ATOM 0 H4' DG A 4 4.482 3.456 4.241 1.00 0.00 H new ATOM 0 H3' DG A 4 4.656 3.198 7.103 1.00 0.00 H new ATOM 0 H2' DG A 4 4.043 0.832 7.072 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.454 1.571 7.054 1.00 0.00 H new ATOM 0 H1' DG A 4 2.370 1.537 4.566 1.00 0.00 H new ATOM 0 H8 DG A 4 4.631 -1.316 5.823 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.171 -2.749 3.278 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.341 0.754 3.071 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.170 -0.767 2.720 1.00 0.00 H new ATOM 124 P DG A 5 2.254 4.539 7.198 1.00 0.00 P ATOM 125 OP1 DG A 5 3.270 5.514 7.845 1.00 0.00 O ATOM 126 OP2 DG A 5 1.704 3.528 8.236 1.00 0.00 O ATOM 127 O5' DG A 5 1.056 5.369 6.642 1.00 0.00 O ATOM 128 C5' DG A 5 1.156 5.887 5.317 1.00 0.00 C ATOM 129 C4' DG A 5 -0.229 6.088 4.707 1.00 0.00 C ATOM 130 O4' DG A 5 -0.774 4.829 4.352 1.00 0.00 O ATOM 131 C3' DG A 5 -1.228 6.779 5.613 1.00 0.00 C ATOM 132 O3' DG A 5 -1.821 7.815 4.821 1.00 0.00 O ATOM 133 C2' DG A 5 -2.142 5.625 6.048 1.00 0.00 C ATOM 134 C1' DG A 5 -2.034 4.570 4.930 1.00 0.00 C ATOM 135 N9 DG A 5 -2.020 3.166 5.400 1.00 0.00 N ATOM 136 C8 DG A 5 -1.150 2.599 6.258 1.00 0.00 C ATOM 137 N7 DG A 5 -1.373 1.294 6.490 1.00 0.00 N ATOM 138 C5 DG A 5 -2.474 0.974 5.720 1.00 0.00 C ATOM 139 C6 DG A 5 -3.189 -0.254 5.526 1.00 0.00 C ATOM 140 O6 DG A 5 -2.957 -1.348 6.028 1.00 0.00 O ATOM 141 N1 DG A 5 -4.252 -0.140 4.643 1.00 0.00 N ATOM 142 C2 DG A 5 -4.596 0.985 4.025 1.00 0.00 C ATOM 143 N2 DG A 5 -5.679 0.987 3.226 1.00 0.00 N ATOM 144 N3 DG A 5 -3.948 2.141 4.183 1.00 0.00 N ATOM 145 C4 DG A 5 -2.893 2.137 5.027 1.00 0.00 C ATOM 0 H5' DG A 5 1.735 5.203 4.697 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.693 6.836 5.332 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.072 6.738 3.846 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.866 7.280 6.510 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.826 5.214 7.007 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.171 5.964 6.170 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.899 4.653 4.272 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.342 3.146 6.720 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.807 -0.975 4.455 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.956 1.843 2.745 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.223 0.133 3.102 1.00 0.00 H new ATOM 157 P DT A 6 -3.354 8.052 4.692 1.00 0.00 P ATOM 158 OP1 DT A 6 -3.575 9.157 3.625 1.00 0.00 O ATOM 159 OP2 DT A 6 -3.871 8.515 6.076 1.00 0.00 O ATOM 160 O5' DT A 6 -4.132 6.748 4.302 1.00 0.00 O ATOM 161 C5' DT A 6 -4.714 6.550 3.017 1.00 0.00 C ATOM 162 C4' DT A 6 -6.128 6.003 3.208 1.00 0.00 C ATOM 163 O4' DT A 6 -6.035 4.691 3.708 1.00 0.00 O ATOM 164 C3' DT A 6 -6.969 6.740 4.262 1.00 0.00 C ATOM 165 O3' DT A 6 -7.758 7.773 3.706 1.00 0.00 O ATOM 166 C2' DT A 6 -7.843 5.643 4.861 1.00 0.00 C ATOM 167 C1' DT A 6 -7.233 4.327 4.359 1.00 0.00 C ATOM 168 N1 DT A 6 -6.840 3.371 5.423 1.00 0.00 N ATOM 169 C2 DT A 6 -7.474 2.138 5.514 1.00 0.00 C ATOM 170 O2 DT A 6 -8.398 1.864 4.760 1.00 0.00 O ATOM 171 N3 DT A 6 -7.035 1.276 6.446 1.00 0.00 N ATOM 172 C4 DT A 6 -6.032 1.512 7.303 1.00 0.00 C ATOM 173 O4 DT A 6 -5.689 0.658 8.107 1.00 0.00 O ATOM 174 C5 DT A 6 -5.379 2.823 7.199 1.00 0.00 C ATOM 175 C7 DT A 6 -4.241 3.162 8.123 1.00 0.00 C ATOM 176 C6 DT A 6 -5.835 3.706 6.232 1.00 0.00 C ATOM 0 H5' DT A 6 -4.114 5.853 2.432 1.00 0.00 H new ATOM 0 H5'' DT A 6 -4.742 7.489 2.464 1.00 0.00 H new ATOM 0 H4' DT A 6 -6.601 6.104 2.231 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.342 7.243 4.999 1.00 0.00 H new ATOM 0 H2' DT A 6 -7.841 5.688 5.950 1.00 0.00 H new ATOM 0 H2'' DT A 6 -8.879 5.745 4.539 1.00 0.00 H new ATOM 0 HO3' DT A 6 -8.274 8.209 4.416 1.00 0.00 H new ATOM 0 H1' DT A 6 -7.986 3.832 3.746 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.502 0.371 6.506 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.560 3.851 7.624 1.00 0.00 H new ATOM 0 H72 DT A 6 -4.633 3.630 9.026 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.705 2.251 8.390 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.371 4.676 6.133 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.580 -2.026 0.540 1.00 0.00 C HETATM 192 O1 HEH A 13 1.794 -2.176 1.149 1.00 0.00 O HETATM 193 C2 HEH A 13 2.426 -3.410 1.348 1.00 0.00 C HETATM 194 C3 HEH A 13 1.792 -4.559 0.907 1.00 0.00 C HETATM 195 C4 HEH A 13 0.486 -4.482 0.247 1.00 0.00 C HETATM 196 O4 HEH A 13 -0.098 -5.487 -0.139 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.127 -3.184 0.052 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.379 -3.011 -0.612 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.144 -4.188 -1.172 1.00 0.00 C HETATM 200 C6 HEH A 13 -1.899 -1.728 -0.789 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.228 -0.577 -0.321 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.793 0.727 -0.562 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.863 0.798 -1.154 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.111 1.928 -0.116 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.619 3.244 -0.335 1.00 0.00 C HETATM 206 C9 HEH A 13 -0.940 4.342 0.186 1.00 0.00 C HETATM 207 C10 HEH A 13 0.248 4.230 0.899 1.00 0.00 C HETATM 208 C11 HEH A 13 0.789 2.955 1.089 1.00 0.00 C HETATM 209 O11 HEH A 13 1.971 2.863 1.802 1.00 0.00 O HETATM 210 CBA HEH A 13 0.141 1.793 0.589 1.00 0.00 C HETATM 211 CCA HEH A 13 0.033 -0.703 0.353 1.00 0.00 C HETATM 212 C12 HEH A 13 0.712 0.486 0.808 1.00 0.00 C HETATM 213 OCC HEH A 13 1.806 0.395 1.361 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.782 3.552 -1.260 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.638 4.886 -1.726 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.507 5.322 -2.747 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.143 6.768 -3.101 1.00 0.00 C HETATM 218 C3E HEH A 13 -4.958 5.204 -2.270 1.00 0.00 C HETATM 219 O3E HEH A 13 -5.778 5.430 -3.408 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.193 3.792 -1.717 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.614 3.564 -1.384 1.00 0.00 N HETATM 222 C2X HEH A 13 -7.142 2.442 -2.169 1.00 0.00 C HETATM 223 C3X HEH A 13 -6.933 3.397 0.041 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.164 3.452 -0.623 1.00 0.00 C HETATM 225 C6F HEH A 13 0.859 5.483 1.503 1.00 0.00 C HETATM 226 O1F HEH A 13 0.196 6.669 1.085 1.00 0.00 O HETATM 227 C2F HEH A 13 0.524 7.095 -0.222 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.485 8.146 -0.712 1.00 0.00 C HETATM 229 C3F HEH A 13 1.998 7.531 -0.197 1.00 0.00 C HETATM 230 O3F HEH A 13 2.311 8.471 0.820 1.00 0.00 O HETATM 231 C4F HEH A 13 2.916 6.335 0.129 1.00 0.00 C HETATM 232 N4F HEH A 13 4.262 6.874 0.436 1.00 0.00 N HETATM 233 C5X HEH A 13 5.274 5.870 0.832 1.00 0.00 C HETATM 234 C1B HEH A 13 4.848 7.764 -0.581 1.00 0.00 C HETATM 235 C1C HEH A 13 2.942 5.297 -1.008 1.00 0.00 C HETATM 236 C5F HEH A 13 2.380 5.705 1.433 1.00 0.00 C HETATM 237 C14 HEH A 13 3.779 -3.405 2.012 1.00 0.00 C HETATM 238 O14 HEH A 13 4.738 -4.439 1.688 1.00 0.00 O HETATM 239 C15 HEH A 13 4.467 -2.047 2.137 1.00 0.00 C HETATM 240 C16 HEH A 13 4.058 -4.518 2.957 1.00 0.00 C HETATM 241 C17 HEH A 13 4.743 -4.181 4.283 1.00 0.00 C HETATM 242 O17 HEH A 13 5.526 -5.286 4.695 1.00 0.00 O HETATM 243 C18 HEH A 13 3.670 -3.944 5.366 1.00 0.00 C HETATM 244 C19 HEH A 13 4.288 -4.022 6.771 1.00 0.00 C HETATM 0 HMC3 HEH A 13 4.727 -5.008 6.921 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.062 -3.261 6.871 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.514 -3.852 7.519 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.619 -1.624 1.144 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.842 -1.375 2.726 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.431 -2.172 2.630 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.534 -4.696 -1.920 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.384 -4.882 -0.367 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -3.066 -3.836 -1.634 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.486 7.714 -0.720 1.00 0.00 H new HETATM 0 HM72 HEH A 13 -0.467 9.007 -0.043 1.00 0.00 H new HETATM 0 HM71 HEH A 13 -0.219 8.464 -1.720 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.935 4.915 -1.175 1.00 0.00 H new HETATM 0 HM42 HEH A 13 3.308 5.766 -1.921 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.601 4.473 -0.734 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.256 7.398 -2.219 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.110 6.809 -3.446 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -3.804 7.127 -3.890 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.946 7.225 -1.523 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.201 8.629 -0.723 1.00 0.00 H new HETATM 0 HK61 HEH A 13 5.832 8.097 -0.250 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.939 5.350 1.730 1.00 0.00 H new HETATM 0 HK52 HEH A 13 5.408 5.150 0.024 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.222 6.369 1.034 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -6.392 2.537 0.437 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -6.639 4.293 0.587 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.005 3.237 0.158 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -7.056 2.669 -3.232 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.573 1.540 -1.943 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -8.190 2.282 -1.916 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.688 5.263 2.557 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.672 6.343 2.267 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.153 7.962 -1.186 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.440 6.301 -0.964 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.739 2.798 -2.046 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.336 2.450 -0.231 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -5.003 3.054 -2.496 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.185 5.921 -1.481 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.404 4.704 -3.639 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.153 1.924 2.013 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.037 7.442 1.253 1.00 0.00 H new HETATM 0 HNE HEH A 13 -7.078 4.436 -1.636 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.359 5.336 0.027 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.852 -1.611 -1.304 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.874 4.744 1.578 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.252 4.142 0.216 1.00 0.00 H new HETATM 0 H3F HEH A 13 1.726 8.324 1.593 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.627 5.830 -3.125 1.00 0.00 H new HETATM 0 H3 HEH A 13 2.268 -5.529 1.052 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.361 -3.293 4.151 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.495 -5.306 3.457 1.00 0.00 H new ATOM 297 O5' DA B 7 -9.599 -9.305 8.205 1.00 0.00 O ATOM 298 C5' DA B 7 -10.500 -8.206 8.254 1.00 0.00 C ATOM 299 C4' DA B 7 -11.049 -7.834 6.866 1.00 0.00 C ATOM 300 O4' DA B 7 -10.731 -6.478 6.639 1.00 0.00 O ATOM 301 C3' DA B 7 -10.442 -8.589 5.682 1.00 0.00 C ATOM 302 O3' DA B 7 -11.405 -8.583 4.628 1.00 0.00 O ATOM 303 C2' DA B 7 -9.214 -7.747 5.352 1.00 0.00 C ATOM 304 C1' DA B 7 -9.614 -6.329 5.786 1.00 0.00 C ATOM 305 N9 DA B 7 -8.559 -5.581 6.500 1.00 0.00 N ATOM 306 C8 DA B 7 -7.613 -6.010 7.363 1.00 0.00 C ATOM 307 N7 DA B 7 -6.807 -5.029 7.815 1.00 0.00 N ATOM 308 C5 DA B 7 -7.263 -3.871 7.207 1.00 0.00 C ATOM 309 C6 DA B 7 -6.895 -2.557 7.234 1.00 0.00 C ATOM 310 N6 DA B 7 -5.831 -2.162 7.955 1.00 0.00 N ATOM 311 N1 DA B 7 -7.555 -1.626 6.518 1.00 0.00 N ATOM 312 C2 DA B 7 -8.588 -2.035 5.760 1.00 0.00 C ATOM 313 N3 DA B 7 -9.014 -3.295 5.668 1.00 0.00 N ATOM 314 C4 DA B 7 -8.355 -4.212 6.390 1.00 0.00 C ATOM 0 H5' DA B 7 -9.992 -7.343 8.684 1.00 0.00 H new ATOM 0 H5'' DA B 7 -11.330 -8.450 8.917 1.00 0.00 H new ATOM 0 H4' DA B 7 -12.111 -8.079 6.901 1.00 0.00 H new ATOM 0 H3' DA B 7 -10.178 -9.631 5.861 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.333 -8.096 5.890 1.00 0.00 H new ATOM 0 H2'' DA B 7 -8.975 -7.788 4.289 1.00 0.00 H new ATOM 0 HO5' DA B 7 -9.276 -9.503 9.109 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.820 -5.746 4.888 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.512 -7.043 7.663 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.562 -1.178 7.970 1.00 0.00 H new ATOM 0 H62 DA B 7 -5.293 -2.846 8.487 1.00 0.00 H new ATOM 0 H2 DA B 7 -9.111 -1.287 5.183 1.00 0.00 H new ATOM 327 P DC B 8 -11.003 -8.944 3.163 1.00 0.00 P ATOM 328 OP1 DC B 8 -12.281 -9.371 2.397 1.00 0.00 O ATOM 329 OP2 DC B 8 -9.954 -10.086 3.180 1.00 0.00 O ATOM 330 O5' DC B 8 -10.383 -7.729 2.420 1.00 0.00 O ATOM 331 C5' DC B 8 -11.122 -6.515 2.349 1.00 0.00 C ATOM 332 C4' DC B 8 -10.214 -5.402 1.831 1.00 0.00 C ATOM 333 O4' DC B 8 -9.273 -5.000 2.802 1.00 0.00 O ATOM 334 C3' DC B 8 -9.366 -5.817 0.629 1.00 0.00 C ATOM 335 O3' DC B 8 -9.994 -5.334 -0.556 1.00 0.00 O ATOM 336 C2' DC B 8 -8.000 -5.190 0.923 1.00 0.00 C ATOM 337 C1' DC B 8 -8.227 -4.310 2.158 1.00 0.00 C ATOM 338 N1 DC B 8 -7.087 -4.198 3.102 1.00 0.00 N ATOM 339 C2 DC B 8 -6.549 -2.949 3.412 1.00 0.00 C ATOM 340 O2 DC B 8 -6.947 -1.879 2.965 1.00 0.00 O ATOM 341 N3 DC B 8 -5.491 -2.959 4.300 1.00 0.00 N ATOM 342 C4 DC B 8 -5.005 -4.068 4.833 1.00 0.00 C ATOM 343 N4 DC B 8 -3.970 -3.972 5.679 1.00 0.00 N ATOM 344 C5 DC B 8 -5.540 -5.302 4.526 1.00 0.00 C ATOM 345 C6 DC B 8 -6.605 -5.322 3.638 1.00 0.00 C ATOM 0 H5' DC B 8 -11.511 -6.254 3.333 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.981 -6.636 1.689 1.00 0.00 H new ATOM 0 H4' DC B 8 -10.911 -4.608 1.563 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.257 -6.890 0.474 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.248 -5.955 1.116 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.646 -4.600 0.077 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.408 -3.278 1.858 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.578 -4.813 6.103 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.574 -3.058 5.899 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.147 -6.211 4.957 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.055 -6.268 3.374 1.00 0.00 H new ATOM 357 P DC B 9 -9.198 -5.167 -1.891 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.209 -5.177 -3.064 1.00 0.00 O ATOM 359 OP2 DC B 9 -8.170 -6.320 -2.023 1.00 0.00 O ATOM 360 O5' DC B 9 -8.425 -3.818 -1.942 1.00 0.00 O ATOM 361 C5' DC B 9 -9.005 -2.655 -1.359 1.00 0.00 C ATOM 362 C4' DC B 9 -7.928 -1.580 -1.200 1.00 0.00 C ATOM 363 O4' DC B 9 -7.113 -1.906 -0.095 1.00 0.00 O ATOM 364 C3' DC B 9 -6.963 -1.478 -2.392 1.00 0.00 C ATOM 365 O3' DC B 9 -7.187 -0.259 -3.096 1.00 0.00 O ATOM 366 C2' DC B 9 -5.574 -1.473 -1.761 1.00 0.00 C ATOM 367 C1' DC B 9 -5.821 -1.353 -0.252 1.00 0.00 C ATOM 368 N1 DC B 9 -4.912 -2.172 0.587 1.00 0.00 N ATOM 369 C2 DC B 9 -3.988 -1.574 1.431 1.00 0.00 C ATOM 370 O2 DC B 9 -3.821 -0.367 1.522 1.00 0.00 O ATOM 371 N3 DC B 9 -3.198 -2.437 2.176 1.00 0.00 N ATOM 372 C4 DC B 9 -3.309 -3.752 2.097 1.00 0.00 C ATOM 373 N4 DC B 9 -2.497 -4.529 2.833 1.00 0.00 N ATOM 374 C5 DC B 9 -4.232 -4.341 1.259 1.00 0.00 C ATOM 375 C6 DC B 9 -5.025 -3.495 0.504 1.00 0.00 C ATOM 0 H5' DC B 9 -9.439 -2.898 -0.389 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.815 -2.285 -1.987 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.471 -0.641 -1.096 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.092 -2.291 -3.106 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.029 -2.386 -2.000 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.976 -0.640 -2.130 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.679 -0.318 0.059 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.576 -5.545 2.778 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.802 -4.103 3.446 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.332 -5.414 1.195 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.754 -3.920 -0.170 1.00 0.00 H new ATOM 387 P DG B 10 -7.623 -0.197 -4.610 1.00 0.00 P ATOM 388 OP1 DG B 10 -9.024 0.469 -4.639 1.00 0.00 O ATOM 389 OP2 DG B 10 -7.681 -1.617 -5.226 1.00 0.00 O ATOM 390 O5' DG B 10 -6.629 0.644 -5.497 1.00 0.00 O ATOM 391 C5' DG B 10 -6.921 1.992 -5.872 1.00 0.00 C ATOM 392 C4' DG B 10 -5.657 2.851 -5.761 1.00 0.00 C ATOM 393 O4' DG B 10 -4.816 2.287 -4.768 1.00 0.00 O ATOM 394 C3' DG B 10 -4.851 2.905 -7.066 1.00 0.00 C ATOM 395 O3' DG B 10 -4.595 4.281 -7.373 1.00 0.00 O ATOM 396 C2' DG B 10 -3.624 2.060 -6.746 1.00 0.00 C ATOM 397 C1' DG B 10 -3.484 2.177 -5.227 1.00 0.00 C ATOM 398 N9 DG B 10 -2.847 0.971 -4.667 1.00 0.00 N ATOM 399 C8 DG B 10 -3.235 -0.315 -4.771 1.00 0.00 C ATOM 400 N7 DG B 10 -2.358 -1.195 -4.253 1.00 0.00 N ATOM 401 C5 DG B 10 -1.320 -0.418 -3.770 1.00 0.00 C ATOM 402 C6 DG B 10 -0.084 -0.740 -3.120 1.00 0.00 C ATOM 403 O6 DG B 10 0.369 -1.843 -2.845 1.00 0.00 O ATOM 404 N1 DG B 10 0.667 0.378 -2.776 1.00 0.00 N ATOM 405 C2 DG B 10 0.311 1.630 -3.025 1.00 0.00 C ATOM 406 N2 DG B 10 1.128 2.628 -2.652 1.00 0.00 N ATOM 407 N3 DG B 10 -0.820 1.958 -3.638 1.00 0.00 N ATOM 408 C4 DG B 10 -1.626 0.941 -4.007 1.00 0.00 C ATOM 0 H5' DG B 10 -7.703 2.396 -5.229 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.302 2.020 -6.893 1.00 0.00 H new ATOM 0 H4' DG B 10 -5.979 3.863 -5.517 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.336 2.513 -7.960 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.760 1.024 -7.056 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.737 2.432 -7.259 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.862 3.021 -4.929 1.00 0.00 H new ATOM 0 H8 DG B 10 -4.166 -0.613 -5.229 1.00 0.00 H new ATOM 0 H1 DG B 10 1.555 0.224 -2.298 1.00 0.00 H new ATOM 0 H21 DG B 10 0.867 3.597 -2.837 1.00 0.00 H new ATOM 0 H22 DG B 10 2.009 2.418 -2.184 1.00 0.00 H new ATOM 420 P DG B 11 -3.196 4.814 -7.826 1.00 0.00 P ATOM 421 OP1 DG B 11 -3.320 6.344 -8.050 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.816 4.095 -9.146 1.00 0.00 O ATOM 423 O5' DG B 11 -2.092 4.491 -6.767 1.00 0.00 O ATOM 424 C5' DG B 11 -1.459 5.488 -5.976 1.00 0.00 C ATOM 425 C4' DG B 11 0.040 5.272 -6.084 1.00 0.00 C ATOM 426 O4' DG B 11 0.368 4.023 -5.507 1.00 0.00 O ATOM 427 C3' DG B 11 0.510 5.198 -7.539 1.00 0.00 C ATOM 428 O3' DG B 11 1.381 6.296 -7.781 1.00 0.00 O ATOM 429 C2' DG B 11 1.204 3.839 -7.634 1.00 0.00 C ATOM 430 C1' DG B 11 1.464 3.451 -6.183 1.00 0.00 C ATOM 431 N9 DG B 11 1.482 1.988 -5.982 1.00 0.00 N ATOM 432 C8 DG B 11 0.541 1.076 -6.296 1.00 0.00 C ATOM 433 N7 DG B 11 0.879 -0.186 -5.975 1.00 0.00 N ATOM 434 C5 DG B 11 2.137 -0.096 -5.407 1.00 0.00 C ATOM 435 C6 DG B 11 3.033 -1.076 -4.862 1.00 0.00 C ATOM 436 O6 DG B 11 2.876 -2.289 -4.769 1.00 0.00 O ATOM 437 N1 DG B 11 4.213 -0.518 -4.391 1.00 0.00 N ATOM 438 C2 DG B 11 4.507 0.777 -4.422 1.00 0.00 C ATOM 439 N2 DG B 11 5.684 1.201 -3.937 1.00 0.00 N ATOM 440 N3 DG B 11 3.697 1.703 -4.917 1.00 0.00 N ATOM 441 C4 DG B 11 2.522 1.267 -5.407 1.00 0.00 C ATOM 0 H5' DG B 11 -1.783 5.417 -4.938 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.729 6.484 -6.326 1.00 0.00 H new ATOM 0 H4' DG B 11 0.518 6.113 -5.582 1.00 0.00 H new ATOM 0 H3' DG B 11 -0.280 5.269 -8.286 1.00 0.00 H new ATOM 0 H2' DG B 11 0.575 3.104 -8.136 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.132 3.904 -8.201 1.00 0.00 H new ATOM 0 H1' DG B 11 2.438 3.794 -5.834 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.398 1.334 -6.762 1.00 0.00 H new ATOM 0 H1 DG B 11 4.907 -1.150 -3.991 1.00 0.00 H new ATOM 0 H21 DG B 11 5.916 2.194 -3.958 1.00 0.00 H new ATOM 0 H22 DG B 11 6.347 0.530 -3.548 1.00 0.00 H new ATOM 453 P DT B 12 2.185 6.384 -9.114 1.00 0.00 P ATOM 454 OP1 DT B 12 2.565 7.866 -9.359 1.00 0.00 O ATOM 455 OP2 DT B 12 1.335 5.816 -10.280 1.00 0.00 O ATOM 456 O5' DT B 12 3.499 5.562 -9.011 1.00 0.00 O ATOM 457 C5' DT B 12 4.260 5.666 -7.813 1.00 0.00 C ATOM 458 C4' DT B 12 5.477 4.742 -7.872 1.00 0.00 C ATOM 459 O4' DT B 12 5.103 3.443 -7.478 1.00 0.00 O ATOM 460 C3' DT B 12 6.094 4.554 -9.271 1.00 0.00 C ATOM 461 O3' DT B 12 7.254 5.342 -9.457 1.00 0.00 O ATOM 462 C2' DT B 12 6.427 3.065 -9.331 1.00 0.00 C ATOM 463 C1' DT B 12 6.072 2.527 -7.943 1.00 0.00 C ATOM 464 N1 DT B 12 5.452 1.181 -7.954 1.00 0.00 N ATOM 465 C2 DT B 12 6.173 0.070 -7.532 1.00 0.00 C ATOM 466 O2 DT B 12 7.338 0.188 -7.178 1.00 0.00 O ATOM 467 N3 DT B 12 5.543 -1.119 -7.545 1.00 0.00 N ATOM 468 C4 DT B 12 4.278 -1.328 -7.937 1.00 0.00 C ATOM 469 O4 DT B 12 3.790 -2.449 -7.908 1.00 0.00 O ATOM 470 C5 DT B 12 3.542 -0.141 -8.384 1.00 0.00 C ATOM 471 C7 DT B 12 2.120 -0.285 -8.844 1.00 0.00 C ATOM 472 C6 DT B 12 4.190 1.082 -8.364 1.00 0.00 C ATOM 0 H5' DT B 12 3.639 5.405 -6.956 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.585 6.697 -7.669 1.00 0.00 H new ATOM 0 H4' DT B 12 6.205 5.227 -7.222 1.00 0.00 H new ATOM 0 H3' DT B 12 5.412 4.871 -10.060 1.00 0.00 H new ATOM 0 H2' DT B 12 5.852 2.562 -10.109 1.00 0.00 H new ATOM 0 H2'' DT B 12 7.481 2.904 -9.560 1.00 0.00 H new ATOM 0 HO3' DT B 12 7.612 5.190 -10.356 1.00 0.00 H new ATOM 0 H1' DT B 12 6.974 2.432 -7.338 1.00 0.00 H new ATOM 0 H3 DT B 12 6.073 -1.931 -7.230 1.00 0.00 H new ATOM 0 H71 DT B 12 1.574 0.635 -8.633 1.00 0.00 H new ATOM 0 H72 DT B 12 2.102 -0.479 -9.916 1.00 0.00 H new ATOM 0 H73 DT B 12 1.650 -1.115 -8.317 1.00 0.00 H new ATOM 0 H6 DT B 12 3.664 1.969 -8.686 1.00 0.00 H new TER 486 DT B 12