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 27:sc= 0.0801 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0865 (180deg=-0.0865) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot 172:sc= -0.937! USER MOD Single : A 13 HEH O3E : rot -102:sc= -1.03 USER MOD Single : A 13 HEH O3F : rot 27:sc= 0.00617 USER MOD Single : B 7 DA O5' : rot 180:sc= -0.0808 USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.266 (180deg=-0.266) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 8.914 -10.565 -4.076 1.00 0.00 O ATOM 2 C5' DA A 1 10.328 -10.418 -4.029 1.00 0.00 C ATOM 3 C4' DA A 1 10.668 -8.994 -3.589 1.00 0.00 C ATOM 4 O4' DA A 1 10.015 -8.113 -4.480 1.00 0.00 O ATOM 5 C3' DA A 1 10.176 -8.657 -2.176 1.00 0.00 C ATOM 6 O3' DA A 1 11.249 -8.051 -1.455 1.00 0.00 O ATOM 7 C2' DA A 1 9.019 -7.696 -2.425 1.00 0.00 C ATOM 8 C1' DA A 1 9.323 -7.094 -3.797 1.00 0.00 C ATOM 9 N9 DA A 1 8.115 -6.753 -4.572 1.00 0.00 N ATOM 10 C8 DA A 1 7.017 -7.498 -4.812 1.00 0.00 C ATOM 11 N7 DA A 1 6.094 -6.874 -5.571 1.00 0.00 N ATOM 12 C5 DA A 1 6.636 -5.631 -5.853 1.00 0.00 C ATOM 13 C6 DA A 1 6.229 -4.543 -6.567 1.00 0.00 C ATOM 14 N6 DA A 1 5.031 -4.528 -7.179 1.00 0.00 N ATOM 15 N1 DA A 1 7.003 -3.448 -6.679 1.00 0.00 N ATOM 16 C2 DA A 1 8.195 -3.450 -6.056 1.00 0.00 C ATOM 17 N3 DA A 1 8.672 -4.464 -5.335 1.00 0.00 N ATOM 18 C4 DA A 1 7.896 -5.553 -5.232 1.00 0.00 C ATOM 0 H5' DA A 1 10.760 -10.622 -5.009 1.00 0.00 H new ATOM 0 H5'' DA A 1 10.758 -11.139 -3.334 1.00 0.00 H new ATOM 0 H4' DA A 1 11.754 -8.899 -3.592 1.00 0.00 H new ATOM 0 H3' DA A 1 9.855 -9.513 -1.582 1.00 0.00 H new ATOM 0 H2' DA A 1 8.061 -8.216 -2.421 1.00 0.00 H new ATOM 0 H2'' DA A 1 8.967 -6.927 -1.655 1.00 0.00 H new ATOM 0 HO5' DA A 1 8.500 -9.693 -4.244 1.00 0.00 H new ATOM 0 H1' DA A 1 9.876 -6.162 -3.678 1.00 0.00 H new ATOM 0 H8 DA A 1 6.889 -8.501 -4.432 1.00 0.00 H new ATOM 0 H61 DA A 1 4.740 -3.707 -7.710 1.00 0.00 H new ATOM 0 H62 DA A 1 4.414 -5.338 -7.112 1.00 0.00 H new ATOM 0 H2 DA A 1 8.810 -2.567 -6.147 1.00 0.00 H new ATOM 31 P DC A 2 11.008 -7.258 -0.123 1.00 0.00 P ATOM 32 OP1 DC A 2 12.278 -7.408 0.752 1.00 0.00 O ATOM 33 OP2 DC A 2 9.761 -7.821 0.606 1.00 0.00 O ATOM 34 O5' DC A 2 10.792 -5.735 -0.371 1.00 0.00 O ATOM 35 C5' DC A 2 11.566 -5.094 -1.379 1.00 0.00 C ATOM 36 C4' DC A 2 10.838 -3.842 -1.848 1.00 0.00 C ATOM 37 O4' DC A 2 9.569 -4.187 -2.355 1.00 0.00 O ATOM 38 C3' DC A 2 10.549 -2.831 -0.730 1.00 0.00 C ATOM 39 O3' DC A 2 11.190 -1.605 -1.070 1.00 0.00 O ATOM 40 C2' DC A 2 9.036 -2.653 -0.775 1.00 0.00 C ATOM 41 C1' DC A 2 8.725 -3.071 -2.202 1.00 0.00 C ATOM 42 N1 DC A 2 7.337 -3.480 -2.487 1.00 0.00 N ATOM 43 C2 DC A 2 6.568 -2.674 -3.305 1.00 0.00 C ATOM 44 O2 DC A 2 6.924 -1.588 -3.750 1.00 0.00 O ATOM 45 N3 DC A 2 5.311 -3.146 -3.591 1.00 0.00 N ATOM 46 C4 DC A 2 4.837 -4.284 -3.125 1.00 0.00 C ATOM 47 N4 DC A 2 3.580 -4.609 -3.457 1.00 0.00 N ATOM 48 C5 DC A 2 5.598 -5.086 -2.298 1.00 0.00 C ATOM 49 C6 DC A 2 6.878 -4.635 -1.996 1.00 0.00 C ATOM 0 H5' DC A 2 11.726 -5.772 -2.218 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.549 -4.833 -0.988 1.00 0.00 H new ATOM 0 H4' DC A 2 11.504 -3.396 -2.587 1.00 0.00 H new ATOM 0 H3' DC A 2 10.899 -3.145 0.253 1.00 0.00 H new ATOM 0 H2' DC A 2 8.527 -3.281 -0.043 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.738 -1.624 -0.575 1.00 0.00 H new ATOM 0 H1' DC A 2 8.870 -2.228 -2.878 1.00 0.00 H new ATOM 0 H41 DC A 2 3.172 -5.481 -3.119 1.00 0.00 H new ATOM 0 H42 DC A 2 3.031 -3.985 -4.048 1.00 0.00 H new ATOM 0 H5 DC A 2 5.218 -6.017 -1.905 1.00 0.00 H new ATOM 0 H6 DC A 2 7.512 -5.228 -1.354 1.00 0.00 H new ATOM 61 P DC A 3 11.403 -0.498 0.013 1.00 0.00 P ATOM 62 OP1 DC A 3 12.502 0.468 -0.499 1.00 0.00 O ATOM 63 OP2 DC A 3 11.824 -1.158 1.351 1.00 0.00 O ATOM 64 O5' DC A 3 10.087 0.307 0.273 1.00 0.00 O ATOM 65 C5' DC A 3 9.806 1.483 -0.479 1.00 0.00 C ATOM 66 C4' DC A 3 8.483 2.114 -0.024 1.00 0.00 C ATOM 67 O4' DC A 3 7.442 1.628 -0.837 1.00 0.00 O ATOM 68 C3' DC A 3 8.010 1.781 1.398 1.00 0.00 C ATOM 69 O3' DC A 3 8.461 2.756 2.333 1.00 0.00 O ATOM 70 C2' DC A 3 6.491 1.804 1.298 1.00 0.00 C ATOM 71 C1' DC A 3 6.200 1.858 -0.208 1.00 0.00 C ATOM 72 N1 DC A 3 5.301 0.776 -0.650 1.00 0.00 N ATOM 73 C2 DC A 3 4.033 1.072 -1.120 1.00 0.00 C ATOM 74 O2 DC A 3 3.604 2.210 -1.250 1.00 0.00 O ATOM 75 N3 DC A 3 3.251 -0.013 -1.459 1.00 0.00 N ATOM 76 C4 DC A 3 3.671 -1.261 -1.341 1.00 0.00 C ATOM 77 N4 DC A 3 2.837 -2.258 -1.655 1.00 0.00 N ATOM 78 C5 DC A 3 4.936 -1.546 -0.876 1.00 0.00 C ATOM 79 C6 DC A 3 5.741 -0.474 -0.538 1.00 0.00 C ATOM 0 H5' DC A 3 9.752 1.238 -1.540 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.618 2.201 -0.358 1.00 0.00 H new ATOM 0 H4' DC A 3 8.687 3.183 -0.081 1.00 0.00 H new ATOM 0 H3' DC A 3 8.399 0.825 1.748 1.00 0.00 H new ATOM 0 H2' DC A 3 6.051 0.918 1.755 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.073 2.669 1.813 1.00 0.00 H new ATOM 0 H1' DC A 3 5.729 2.811 -0.449 1.00 0.00 H new ATOM 0 H41 DC A 3 3.145 -3.227 -1.570 1.00 0.00 H new ATOM 0 H42 DC A 3 1.893 -2.050 -1.980 1.00 0.00 H new ATOM 0 H5 DC A 3 5.284 -2.564 -0.780 1.00 0.00 H new ATOM 0 H6 DC A 3 6.743 -0.655 -0.177 1.00 0.00 H new ATOM 91 P DG A 4 8.470 2.420 3.868 1.00 0.00 P ATOM 92 OP1 DG A 4 9.273 3.536 4.582 1.00 0.00 O ATOM 93 OP2 DG A 4 9.123 1.033 4.096 1.00 0.00 O ATOM 94 O5' DG A 4 7.031 2.404 4.493 1.00 0.00 O ATOM 95 C5' DG A 4 6.250 3.593 4.410 1.00 0.00 C ATOM 96 C4' DG A 4 4.761 3.297 4.636 1.00 0.00 C ATOM 97 O4' DG A 4 4.391 1.990 4.234 1.00 0.00 O ATOM 98 C3' DG A 4 4.326 3.394 6.108 1.00 0.00 C ATOM 99 O3' DG A 4 3.771 4.690 6.360 1.00 0.00 O ATOM 100 C2' DG A 4 3.354 2.226 6.279 1.00 0.00 C ATOM 101 C1' DG A 4 3.152 1.726 4.860 1.00 0.00 C ATOM 102 N9 DG A 4 2.832 0.295 4.876 1.00 0.00 N ATOM 103 C8 DG A 4 3.561 -0.736 5.316 1.00 0.00 C ATOM 104 N7 DG A 4 2.960 -1.932 5.189 1.00 0.00 N ATOM 105 C5 DG A 4 1.712 -1.644 4.616 1.00 0.00 C ATOM 106 C6 DG A 4 0.577 -2.435 4.205 1.00 0.00 C ATOM 107 O6 DG A 4 0.410 -3.646 4.273 1.00 0.00 O ATOM 108 N1 DG A 4 -0.450 -1.663 3.655 1.00 0.00 N ATOM 109 C2 DG A 4 -0.418 -0.343 3.520 1.00 0.00 C ATOM 110 N2 DG A 4 -1.461 0.305 2.981 1.00 0.00 N ATOM 111 N3 DG A 4 0.602 0.408 3.890 1.00 0.00 N ATOM 112 C4 DG A 4 1.648 -0.242 4.424 1.00 0.00 C ATOM 0 H5' DG A 4 6.387 4.054 3.432 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.597 4.312 5.152 1.00 0.00 H new ATOM 0 H4' DG A 4 4.272 4.062 4.033 1.00 0.00 H new ATOM 0 H3' DG A 4 5.132 3.309 6.837 1.00 0.00 H new ATOM 0 H2' DG A 4 3.767 1.450 6.923 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.415 2.547 6.729 1.00 0.00 H new ATOM 0 H1' DG A 4 2.326 2.206 4.335 1.00 0.00 H new ATOM 0 H8 DG A 4 4.548 -0.618 5.737 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.286 -2.150 3.333 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.433 1.319 2.879 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.282 -0.217 2.673 1.00 0.00 H new ATOM 124 P DG A 5 2.463 4.915 7.204 1.00 0.00 P ATOM 125 OP1 DG A 5 2.325 6.432 7.485 1.00 0.00 O ATOM 126 OP2 DG A 5 2.576 4.113 8.528 1.00 0.00 O ATOM 127 O5' DG A 5 1.185 4.436 6.436 1.00 0.00 O ATOM 128 C5' DG A 5 0.966 4.919 5.114 1.00 0.00 C ATOM 129 C4' DG A 5 -0.514 5.224 4.886 1.00 0.00 C ATOM 130 O4' DG A 5 -1.172 4.008 4.591 1.00 0.00 O ATOM 131 C3' DG A 5 -1.233 5.844 6.084 1.00 0.00 C ATOM 132 O3' DG A 5 -2.070 6.884 5.578 1.00 0.00 O ATOM 133 C2' DG A 5 -2.009 4.666 6.680 1.00 0.00 C ATOM 134 C1' DG A 5 -2.182 3.678 5.520 1.00 0.00 C ATOM 135 N9 DG A 5 -1.988 2.266 5.912 1.00 0.00 N ATOM 136 C8 DG A 5 -0.961 1.707 6.587 1.00 0.00 C ATOM 137 N7 DG A 5 -1.072 0.374 6.749 1.00 0.00 N ATOM 138 C5 DG A 5 -2.259 0.034 6.125 1.00 0.00 C ATOM 139 C6 DG A 5 -2.921 -1.222 5.911 1.00 0.00 C ATOM 140 O6 DG A 5 -2.572 -2.344 6.260 1.00 0.00 O ATOM 141 N1 DG A 5 -4.096 -1.102 5.184 1.00 0.00 N ATOM 142 C2 DG A 5 -4.583 0.041 4.722 1.00 0.00 C ATOM 143 N2 DG A 5 -5.722 0.026 4.010 1.00 0.00 N ATOM 144 N3 DG A 5 -3.998 1.220 4.906 1.00 0.00 N ATOM 145 C4 DG A 5 -2.842 1.213 5.601 1.00 0.00 C ATOM 0 H5' DG A 5 1.305 4.178 4.390 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.557 5.820 4.948 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.550 5.954 4.078 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.600 6.298 6.846 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.463 4.212 7.507 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.974 4.987 7.072 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.198 3.760 5.135 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.125 2.278 6.964 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.623 -1.954 4.991 1.00 0.00 H new ATOM 0 H21 DG A 5 -6.109 0.898 3.648 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.200 -0.857 3.831 1.00 0.00 H new ATOM 157 P DT A 6 -3.265 7.449 6.406 1.00 0.00 P ATOM 158 OP1 DT A 6 -3.632 8.845 5.842 1.00 0.00 O ATOM 159 OP2 DT A 6 -2.849 7.543 7.897 1.00 0.00 O ATOM 160 O5' DT A 6 -4.507 6.510 6.304 1.00 0.00 O ATOM 161 C5' DT A 6 -5.211 6.415 5.071 1.00 0.00 C ATOM 162 C4' DT A 6 -6.623 5.868 5.307 1.00 0.00 C ATOM 163 O4' DT A 6 -6.576 4.460 5.283 1.00 0.00 O ATOM 164 C3' DT A 6 -7.246 6.199 6.667 1.00 0.00 C ATOM 165 O3' DT A 6 -7.897 7.456 6.632 1.00 0.00 O ATOM 166 C2' DT A 6 -8.195 5.029 6.898 1.00 0.00 C ATOM 167 C1' DT A 6 -7.659 3.902 6.000 1.00 0.00 C ATOM 168 N1 DT A 6 -7.101 2.757 6.759 1.00 0.00 N ATOM 169 C2 DT A 6 -7.818 1.569 6.856 1.00 0.00 C ATOM 170 O2 DT A 6 -8.912 1.467 6.320 1.00 0.00 O ATOM 171 N3 DT A 6 -7.265 0.560 7.556 1.00 0.00 N ATOM 172 C4 DT A 6 -6.074 0.616 8.170 1.00 0.00 C ATOM 173 O4 DT A 6 -5.647 -0.339 8.799 1.00 0.00 O ATOM 174 C5 DT A 6 -5.335 1.874 8.054 1.00 0.00 C ATOM 175 C7 DT A 6 -3.990 1.997 8.713 1.00 0.00 C ATOM 176 C6 DT A 6 -5.907 2.907 7.332 1.00 0.00 C ATOM 0 H5' DT A 6 -4.671 5.763 4.385 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.268 7.396 4.600 1.00 0.00 H new ATOM 0 H4' DT A 6 -7.222 6.334 4.524 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.525 6.301 7.478 1.00 0.00 H new ATOM 0 H2' DT A 6 -8.204 4.729 7.946 1.00 0.00 H new ATOM 0 H2'' DT A 6 -9.219 5.292 6.633 1.00 0.00 H new ATOM 0 HO3' DT A 6 -8.289 7.646 7.510 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.483 3.533 5.389 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.791 -0.311 7.624 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.369 2.690 8.146 1.00 0.00 H new ATOM 0 H72 DT A 6 -4.116 2.371 9.729 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.509 1.019 8.743 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.380 3.845 7.232 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.405 -1.507 0.502 1.00 0.00 C HETATM 192 O1 HEH A 13 1.602 -1.647 1.151 1.00 0.00 O HETATM 193 C2 HEH A 13 2.186 -2.889 1.442 1.00 0.00 C HETATM 194 C3 HEH A 13 1.524 -4.045 1.071 1.00 0.00 C HETATM 195 C4 HEH A 13 0.239 -3.978 0.381 1.00 0.00 C HETATM 196 O4 HEH A 13 -0.368 -4.992 0.059 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.328 -2.679 0.087 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.561 -2.524 -0.613 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.344 -3.717 -1.115 1.00 0.00 C HETATM 200 C6 HEH A 13 -2.045 -1.246 -0.884 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.354 -0.081 -0.488 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.898 1.211 -0.816 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.948 1.252 -1.446 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.217 2.431 -0.419 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.719 3.737 -0.710 1.00 0.00 C HETATM 206 C9 HEH A 13 -1.046 4.861 -0.225 1.00 0.00 C HETATM 207 C10 HEH A 13 0.129 4.781 0.524 1.00 0.00 C HETATM 208 C11 HEH A 13 0.655 3.508 0.786 1.00 0.00 C HETATM 209 O11 HEH A 13 1.811 3.441 1.544 1.00 0.00 O HETATM 210 CBA HEH A 13 0.016 2.324 0.323 1.00 0.00 C HETATM 211 CCA HEH A 13 -0.112 -0.186 0.221 1.00 0.00 C HETATM 212 C12 HEH A 13 0.571 1.020 0.619 1.00 0.00 C HETATM 213 OCC HEH A 13 1.658 0.946 1.187 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.861 3.977 -1.687 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.758 5.294 -2.199 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.518 5.584 -3.352 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.175 7.025 -3.756 1.00 0.00 C HETATM 218 C3E HEH A 13 -5.010 5.379 -3.030 1.00 0.00 C HETATM 219 O3E HEH A 13 -5.826 5.446 -4.186 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.227 3.999 -2.385 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.648 3.610 -2.278 1.00 0.00 N HETATM 222 C2X HEH A 13 -6.863 2.473 -1.375 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.625 4.682 -2.024 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.298 3.843 -1.157 1.00 0.00 C HETATM 225 C6F HEH A 13 0.764 6.066 1.058 1.00 0.00 C HETATM 226 O1F HEH A 13 0.199 7.238 0.481 1.00 0.00 O HETATM 227 C2F HEH A 13 0.579 7.520 -0.853 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.312 8.623 -1.445 1.00 0.00 C HETATM 229 C3F HEH A 13 2.103 7.764 -0.916 1.00 0.00 C HETATM 230 O3F HEH A 13 2.600 8.781 -0.057 1.00 0.00 O HETATM 231 C4F HEH A 13 2.879 6.528 -0.424 1.00 0.00 C HETATM 232 N4F HEH A 13 4.291 6.943 -0.234 1.00 0.00 N HETATM 233 C5X HEH A 13 5.164 5.891 0.331 1.00 0.00 C HETATM 234 C1B HEH A 13 4.958 7.582 -1.385 1.00 0.00 C HETATM 235 C1C HEH A 13 2.761 5.317 -1.374 1.00 0.00 C HETATM 236 C5F HEH A 13 2.301 6.199 0.977 1.00 0.00 C HETATM 237 C14 HEH A 13 3.523 -2.918 2.128 1.00 0.00 C HETATM 238 O14 HEH A 13 4.368 -4.061 1.863 1.00 0.00 O HETATM 239 C15 HEH A 13 4.349 -1.634 2.131 1.00 0.00 C HETATM 240 C16 HEH A 13 3.711 -3.985 3.143 1.00 0.00 C HETATM 241 C17 HEH A 13 4.505 -3.687 4.406 1.00 0.00 C HETATM 242 O17 HEH A 13 5.142 -4.913 4.717 1.00 0.00 O HETATM 243 C18 HEH A 13 3.531 -3.255 5.526 1.00 0.00 C HETATM 244 C19 HEH A 13 4.226 -3.166 6.896 1.00 0.00 C HETATM 0 HMC3 HEH A 13 4.635 -4.141 7.160 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.033 -2.435 6.848 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.503 -2.859 7.652 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.562 -1.336 1.104 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.790 -0.843 2.630 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.286 -1.805 2.661 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.732 -4.285 -1.816 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.617 -4.354 -0.273 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -3.248 -3.373 -1.618 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.352 8.295 -1.435 1.00 0.00 H new HETATM 0 HM72 HEH A 13 -0.212 9.530 -0.849 1.00 0.00 H new HETATM 0 HM71 HEH A 13 -0.006 8.827 -2.471 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.714 5.031 -1.470 1.00 0.00 H new HETATM 0 HM42 HEH A 13 3.156 5.584 -2.354 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.330 4.480 -0.969 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.433 7.702 -2.942 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.108 7.100 -3.966 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -3.740 7.297 -4.647 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.965 6.893 -2.230 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.419 8.489 -1.660 1.00 0.00 H new HETATM 0 HK61 HEH A 13 5.983 7.837 -1.116 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.786 5.591 1.308 1.00 0.00 H new HETATM 0 HK52 HEH A 13 5.172 5.029 -0.335 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.178 6.278 0.437 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.388 5.174 -1.081 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.585 5.410 -2.834 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.627 4.256 -1.969 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -6.309 1.608 -1.741 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.514 2.731 -0.375 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -7.926 2.234 -1.338 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.524 5.975 2.117 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.616 6.978 1.671 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.247 8.030 -1.963 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.404 6.665 -1.506 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.731 3.178 -2.417 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.447 2.876 -0.676 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -4.897 3.203 -3.052 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.292 6.183 -2.350 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.291 4.925 -4.190 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.001 2.506 1.769 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.171 7.680 0.461 1.00 0.00 H new HETATM 0 HNE HEH A 13 -6.851 3.320 -3.235 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.458 5.847 -0.442 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.989 -1.143 -1.420 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.746 5.266 1.322 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.510 4.607 -0.409 1.00 0.00 H new HETATM 0 H3F HEH A 13 2.011 8.869 0.721 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.268 6.320 -4.224 1.00 0.00 H new HETATM 0 H3 HEH A 13 1.966 -5.016 1.296 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.229 -2.881 4.289 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.058 -4.646 3.712 1.00 0.00 H new ATOM 297 O5' DA B 7 -8.342 -9.643 7.807 1.00 0.00 O ATOM 298 C5' DA B 7 -9.591 -9.045 8.140 1.00 0.00 C ATOM 299 C4' DA B 7 -10.399 -8.631 6.894 1.00 0.00 C ATOM 300 O4' DA B 7 -10.249 -7.247 6.667 1.00 0.00 O ATOM 301 C3' DA B 7 -9.947 -9.274 5.583 1.00 0.00 C ATOM 302 O3' DA B 7 -11.095 -9.375 4.729 1.00 0.00 O ATOM 303 C2' DA B 7 -8.850 -8.314 5.105 1.00 0.00 C ATOM 304 C1' DA B 7 -9.190 -6.971 5.775 1.00 0.00 C ATOM 305 N9 DA B 7 -8.108 -6.331 6.551 1.00 0.00 N ATOM 306 C8 DA B 7 -7.082 -6.858 7.253 1.00 0.00 C ATOM 307 N7 DA B 7 -6.336 -5.938 7.897 1.00 0.00 N ATOM 308 C5 DA B 7 -6.919 -4.720 7.591 1.00 0.00 C ATOM 309 C6 DA B 7 -6.663 -3.419 7.908 1.00 0.00 C ATOM 310 N6 DA B 7 -5.628 -3.112 8.708 1.00 0.00 N ATOM 311 N1 DA B 7 -7.430 -2.413 7.435 1.00 0.00 N ATOM 312 C2 DA B 7 -8.459 -2.738 6.633 1.00 0.00 C ATOM 313 N3 DA B 7 -8.785 -3.977 6.273 1.00 0.00 N ATOM 314 C4 DA B 7 -8.018 -4.965 6.751 1.00 0.00 C ATOM 0 H5' DA B 7 -9.415 -8.168 8.763 1.00 0.00 H new ATOM 0 H5'' DA B 7 -10.179 -9.745 8.734 1.00 0.00 H new ATOM 0 H4' DA B 7 -11.415 -8.951 7.125 1.00 0.00 H new ATOM 0 H3' DA B 7 -9.551 -10.288 5.634 1.00 0.00 H new ATOM 0 H2' DA B 7 -7.861 -8.665 5.399 1.00 0.00 H new ATOM 0 H2'' DA B 7 -8.847 -8.225 4.019 1.00 0.00 H new ATOM 0 HO5' DA B 7 -7.866 -9.886 8.629 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.415 -6.267 4.974 1.00 0.00 H new ATOM 0 H8 DA B 7 -6.878 -7.918 7.295 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.437 -2.138 8.944 1.00 0.00 H new ATOM 0 H62 DA B 7 -5.033 -3.853 9.079 1.00 0.00 H new ATOM 0 H2 DA B 7 -9.068 -1.932 6.252 1.00 0.00 H new ATOM 327 P DC B 8 -11.180 -8.791 3.276 1.00 0.00 P ATOM 328 OP1 DC B 8 -12.619 -9.054 2.761 1.00 0.00 O ATOM 329 OP2 DC B 8 -10.136 -9.513 2.386 1.00 0.00 O ATOM 330 O5' DC B 8 -10.913 -7.254 3.222 1.00 0.00 O ATOM 331 C5' DC B 8 -11.406 -6.457 2.151 1.00 0.00 C ATOM 332 C4' DC B 8 -10.310 -5.492 1.697 1.00 0.00 C ATOM 333 O4' DC B 8 -9.406 -5.237 2.754 1.00 0.00 O ATOM 334 C3' DC B 8 -9.438 -6.013 0.554 1.00 0.00 C ATOM 335 O3' DC B 8 -9.945 -5.498 -0.684 1.00 0.00 O ATOM 336 C2' DC B 8 -8.028 -5.544 0.934 1.00 0.00 C ATOM 337 C1' DC B 8 -8.227 -4.699 2.204 1.00 0.00 C ATOM 338 N1 DC B 8 -7.122 -4.735 3.198 1.00 0.00 N ATOM 339 C2 DC B 8 -6.648 -3.542 3.735 1.00 0.00 C ATOM 340 O2 DC B 8 -7.114 -2.436 3.486 1.00 0.00 O ATOM 341 N3 DC B 8 -5.569 -3.651 4.594 1.00 0.00 N ATOM 342 C4 DC B 8 -5.007 -4.809 4.901 1.00 0.00 C ATOM 343 N4 DC B 8 -3.942 -4.810 5.715 1.00 0.00 N ATOM 344 C5 DC B 8 -5.484 -5.993 4.376 1.00 0.00 C ATOM 345 C6 DC B 8 -6.568 -5.909 3.514 1.00 0.00 C ATOM 0 H5' DC B 8 -12.287 -5.901 2.471 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.714 -7.093 1.321 1.00 0.00 H new ATOM 0 H4' DC B 8 -10.859 -4.610 1.366 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.433 -7.094 0.413 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.366 -6.390 1.121 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.577 -4.957 0.134 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.266 -3.641 1.945 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.492 -5.691 5.965 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.581 -3.930 6.084 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.034 -6.942 4.625 1.00 0.00 H new ATOM 0 H6 DC B 8 -6.974 -6.815 3.088 1.00 0.00 H new ATOM 357 P DC B 9 -9.024 -5.090 -1.887 1.00 0.00 P ATOM 358 OP1 DC B 9 -9.920 -4.878 -3.133 1.00 0.00 O ATOM 359 OP2 DC B 9 -7.988 -6.218 -2.128 1.00 0.00 O ATOM 360 O5' DC B 9 -8.250 -3.763 -1.621 1.00 0.00 O ATOM 361 C5' DC B 9 -8.974 -2.616 -1.194 1.00 0.00 C ATOM 362 C4' DC B 9 -8.021 -1.424 -1.129 1.00 0.00 C ATOM 363 O4' DC B 9 -7.202 -1.582 0.014 1.00 0.00 O ATOM 364 C3' DC B 9 -7.069 -1.348 -2.331 1.00 0.00 C ATOM 365 O3' DC B 9 -7.109 -0.035 -2.882 1.00 0.00 O ATOM 366 C2' DC B 9 -5.697 -1.579 -1.728 1.00 0.00 C ATOM 367 C1' DC B 9 -5.872 -1.192 -0.253 1.00 0.00 C ATOM 368 N1 DC B 9 -4.993 -1.925 0.692 1.00 0.00 N ATOM 369 C2 DC B 9 -4.057 -1.248 1.463 1.00 0.00 C ATOM 370 O2 DC B 9 -3.910 -0.033 1.450 1.00 0.00 O ATOM 371 N3 DC B 9 -3.245 -2.036 2.267 1.00 0.00 N ATOM 372 C4 DC B 9 -3.347 -3.354 2.307 1.00 0.00 C ATOM 373 N4 DC B 9 -2.490 -4.062 3.064 1.00 0.00 N ATOM 374 C5 DC B 9 -4.288 -4.020 1.548 1.00 0.00 C ATOM 375 C6 DC B 9 -5.106 -3.249 0.738 1.00 0.00 C ATOM 0 H5' DC B 9 -9.421 -2.795 -0.216 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.791 -2.408 -1.884 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.635 -0.524 -1.110 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.323 -2.060 -3.116 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.384 -2.618 -1.834 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.938 -0.966 -2.215 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.629 -0.139 -0.114 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.562 -5.079 3.100 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.768 -3.582 3.602 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.383 -5.095 1.584 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.854 -3.735 0.129 1.00 0.00 H new ATOM 387 P DG B 10 -7.447 0.252 -4.390 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.719 1.138 -4.391 1.00 0.00 O ATOM 389 OP2 DG B 10 -7.670 -1.056 -5.191 1.00 0.00 O ATOM 390 O5' DG B 10 -6.286 1.030 -5.085 1.00 0.00 O ATOM 391 C5' DG B 10 -6.544 2.047 -6.049 1.00 0.00 C ATOM 392 C4' DG B 10 -5.255 2.849 -6.243 1.00 0.00 C ATOM 393 O4' DG B 10 -4.388 2.440 -5.200 1.00 0.00 O ATOM 394 C3' DG B 10 -4.533 2.584 -7.573 1.00 0.00 C ATOM 395 O3' DG B 10 -4.149 3.844 -8.140 1.00 0.00 O ATOM 396 C2' DG B 10 -3.376 1.681 -7.164 1.00 0.00 C ATOM 397 C1' DG B 10 -3.142 2.006 -5.688 1.00 0.00 C ATOM 398 N9 DG B 10 -2.671 0.805 -4.971 1.00 0.00 N ATOM 399 C8 DG B 10 -3.157 -0.454 -4.973 1.00 0.00 C ATOM 400 N7 DG B 10 -2.353 -1.352 -4.371 1.00 0.00 N ATOM 401 C5 DG B 10 -1.265 -0.615 -3.936 1.00 0.00 C ATOM 402 C6 DG B 10 -0.062 -0.964 -3.240 1.00 0.00 C ATOM 403 O6 DG B 10 0.321 -2.071 -2.884 1.00 0.00 O ATOM 404 N1 DG B 10 0.750 0.131 -2.969 1.00 0.00 N ATOM 405 C2 DG B 10 0.474 1.379 -3.315 1.00 0.00 C ATOM 406 N2 DG B 10 1.322 2.366 -2.993 1.00 0.00 N ATOM 407 N3 DG B 10 -0.617 1.727 -3.975 1.00 0.00 N ATOM 408 C4 DG B 10 -1.473 0.737 -4.284 1.00 0.00 C ATOM 0 H5' DG B 10 -7.351 2.697 -5.711 1.00 0.00 H new ATOM 0 H5'' DG B 10 -6.865 1.606 -6.993 1.00 0.00 H new ATOM 0 H4' DG B 10 -5.513 3.908 -6.240 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.121 2.100 -8.353 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.624 0.629 -7.305 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.486 1.881 -7.761 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.377 2.769 -5.547 1.00 0.00 H new ATOM 0 H8 DG B 10 -4.105 -0.718 -5.417 1.00 0.00 H new ATOM 0 H1 DG B 10 1.622 -0.039 -2.467 1.00 0.00 H new ATOM 0 H21 DG B 10 1.110 3.328 -3.259 1.00 0.00 H new ATOM 0 H22 DG B 10 2.179 2.155 -2.482 1.00 0.00 H new ATOM 420 P DG B 11 -2.734 4.119 -8.757 1.00 0.00 P ATOM 421 OP1 DG B 11 -2.751 5.540 -9.377 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.443 3.051 -9.843 1.00 0.00 O ATOM 423 O5' DG B 11 -1.605 4.042 -7.680 1.00 0.00 O ATOM 424 C5' DG B 11 -1.423 5.109 -6.754 1.00 0.00 C ATOM 425 C4' DG B 11 0.056 5.188 -6.399 1.00 0.00 C ATOM 426 O4' DG B 11 0.452 3.974 -5.784 1.00 0.00 O ATOM 427 C3' DG B 11 0.926 5.341 -7.646 1.00 0.00 C ATOM 428 O3' DG B 11 1.884 6.360 -7.387 1.00 0.00 O ATOM 429 C2' DG B 11 1.592 3.979 -7.792 1.00 0.00 C ATOM 430 C1' DG B 11 1.636 3.461 -6.363 1.00 0.00 C ATOM 431 N9 DG B 11 1.633 1.988 -6.282 1.00 0.00 N ATOM 432 C8 DG B 11 0.687 1.116 -6.683 1.00 0.00 C ATOM 433 N7 DG B 11 0.988 -0.172 -6.424 1.00 0.00 N ATOM 434 C5 DG B 11 2.227 -0.139 -5.811 1.00 0.00 C ATOM 435 C6 DG B 11 3.088 -1.167 -5.299 1.00 0.00 C ATOM 436 O6 DG B 11 2.893 -2.377 -5.273 1.00 0.00 O ATOM 437 N1 DG B 11 4.269 -0.663 -4.772 1.00 0.00 N ATOM 438 C2 DG B 11 4.594 0.624 -4.725 1.00 0.00 C ATOM 439 N2 DG B 11 5.783 0.989 -4.221 1.00 0.00 N ATOM 440 N3 DG B 11 3.813 1.594 -5.181 1.00 0.00 N ATOM 441 C4 DG B 11 2.640 1.212 -5.721 1.00 0.00 C ATOM 0 H5' DG B 11 -2.020 4.940 -5.858 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.760 6.050 -7.188 1.00 0.00 H new ATOM 0 H4' DG B 11 0.186 6.049 -5.744 1.00 0.00 H new ATOM 0 H3' DG B 11 0.384 5.619 -8.550 1.00 0.00 H new ATOM 0 H2' DG B 11 1.019 3.318 -8.443 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.590 4.063 -8.221 1.00 0.00 H new ATOM 0 H1' DG B 11 2.552 3.772 -5.861 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.229 1.421 -7.168 1.00 0.00 H new ATOM 0 H1 DG B 11 4.938 -1.332 -4.392 1.00 0.00 H new ATOM 0 H21 DG B 11 6.039 1.976 -4.182 1.00 0.00 H new ATOM 0 H22 DG B 11 6.430 0.280 -3.877 1.00 0.00 H new ATOM 453 P DT B 12 2.905 6.778 -8.492 1.00 0.00 P ATOM 454 OP1 DT B 12 3.318 8.249 -8.238 1.00 0.00 O ATOM 455 OP2 DT B 12 2.270 6.604 -9.896 1.00 0.00 O ATOM 456 O5' DT B 12 4.189 5.899 -8.423 1.00 0.00 O ATOM 457 C5' DT B 12 4.827 5.742 -7.161 1.00 0.00 C ATOM 458 C4' DT B 12 6.041 4.815 -7.276 1.00 0.00 C ATOM 459 O4' DT B 12 5.634 3.489 -7.050 1.00 0.00 O ATOM 460 C3' DT B 12 6.718 4.753 -8.655 1.00 0.00 C ATOM 461 O3' DT B 12 7.773 5.684 -8.790 1.00 0.00 O ATOM 462 C2' DT B 12 7.233 3.320 -8.743 1.00 0.00 C ATOM 463 C1' DT B 12 6.631 2.610 -7.526 1.00 0.00 C ATOM 464 N1 DT B 12 5.966 1.331 -7.852 1.00 0.00 N ATOM 465 C2 DT B 12 6.597 0.133 -7.555 1.00 0.00 C ATOM 466 O2 DT B 12 7.715 0.129 -7.057 1.00 0.00 O ATOM 467 N3 DT B 12 5.940 -1.000 -7.839 1.00 0.00 N ATOM 468 C4 DT B 12 4.720 -1.075 -8.393 1.00 0.00 C ATOM 469 O4 DT B 12 4.207 -2.164 -8.607 1.00 0.00 O ATOM 470 C5 DT B 12 4.071 0.206 -8.705 1.00 0.00 C ATOM 471 C7 DT B 12 2.699 0.222 -9.321 1.00 0.00 C ATOM 472 C6 DT B 12 4.755 1.372 -8.406 1.00 0.00 C ATOM 0 H5' DT B 12 4.119 5.334 -6.439 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.141 6.715 -6.784 1.00 0.00 H new ATOM 0 H4' DT B 12 6.743 5.229 -6.553 1.00 0.00 H new ATOM 0 H3' DT B 12 6.025 5.012 -9.456 1.00 0.00 H new ATOM 0 H2' DT B 12 6.921 2.844 -9.673 1.00 0.00 H new ATOM 0 H2'' DT B 12 8.322 3.289 -8.720 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.170 5.602 -9.682 1.00 0.00 H new ATOM 0 H1' DT B 12 7.428 2.380 -6.819 1.00 0.00 H new ATOM 0 H3 DT B 12 6.406 -1.879 -7.615 1.00 0.00 H new ATOM 0 H71 DT B 12 2.171 1.123 -9.009 1.00 0.00 H new ATOM 0 H72 DT B 12 2.788 0.211 -10.407 1.00 0.00 H new ATOM 0 H73 DT B 12 2.143 -0.656 -8.993 1.00 0.00 H new ATOM 0 H6 DT B 12 4.301 2.327 -8.625 1.00 0.00 H new TER 486 DT B 12