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=-0.00432 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.26 (180deg=-0.26) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot -157:sc= -0.728! USER MOD Single : A 13 HEH O3E : rot -140:sc= -0.138 USER MOD Single : A 13 HEH O3F : rot 27:sc= -0.106 USER MOD Single : B 7 DA O5' : rot 180:sc= -0.202 USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.127 (180deg=-0.127) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 9.713 -10.975 -3.845 1.00 0.00 O ATOM 2 C5' DA A 1 10.660 -10.186 -4.541 1.00 0.00 C ATOM 3 C4' DA A 1 10.835 -8.762 -3.982 1.00 0.00 C ATOM 4 O4' DA A 1 10.008 -7.916 -4.746 1.00 0.00 O ATOM 5 C3' DA A 1 10.429 -8.533 -2.514 1.00 0.00 C ATOM 6 O3' DA A 1 11.517 -7.877 -1.867 1.00 0.00 O ATOM 7 C2' DA A 1 9.200 -7.623 -2.617 1.00 0.00 C ATOM 8 C1' DA A 1 9.402 -6.922 -3.958 1.00 0.00 C ATOM 9 N9 DA A 1 8.173 -6.526 -4.662 1.00 0.00 N ATOM 10 C8 DA A 1 7.080 -7.259 -4.948 1.00 0.00 C ATOM 11 N7 DA A 1 6.169 -6.608 -5.693 1.00 0.00 N ATOM 12 C5 DA A 1 6.714 -5.357 -5.911 1.00 0.00 C ATOM 13 C6 DA A 1 6.316 -4.247 -6.587 1.00 0.00 C ATOM 14 N6 DA A 1 5.136 -4.230 -7.232 1.00 0.00 N ATOM 15 N1 DA A 1 7.082 -3.146 -6.633 1.00 0.00 N ATOM 16 C2 DA A 1 8.262 -3.158 -5.989 1.00 0.00 C ATOM 17 N3 DA A 1 8.734 -4.201 -5.305 1.00 0.00 N ATOM 18 C4 DA A 1 7.962 -5.297 -5.266 1.00 0.00 C ATOM 0 H5' DA A 1 10.360 -10.118 -5.587 1.00 0.00 H new ATOM 0 H5'' DA A 1 11.624 -10.693 -4.518 1.00 0.00 H new ATOM 0 H4' DA A 1 11.906 -8.567 -4.035 1.00 0.00 H new ATOM 0 H3' DA A 1 10.204 -9.437 -1.948 1.00 0.00 H new ATOM 0 H2' DA A 1 8.272 -8.194 -2.596 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.155 -6.911 -1.793 1.00 0.00 H new ATOM 0 HO5' DA A 1 9.658 -11.861 -4.259 1.00 0.00 H new ATOM 0 H1' DA A 1 9.955 -5.998 -3.792 1.00 0.00 H new ATOM 0 H8 DA A 1 6.947 -8.276 -4.610 1.00 0.00 H new ATOM 0 H61 DA A 1 4.843 -3.394 -7.737 1.00 0.00 H new ATOM 0 H62 DA A 1 4.534 -5.053 -7.216 1.00 0.00 H new ATOM 0 H2 DA A 1 8.867 -2.264 -6.028 1.00 0.00 H new ATOM 31 P DC A 2 11.360 -7.219 -0.453 1.00 0.00 P ATOM 32 OP1 DC A 2 12.707 -7.375 0.295 1.00 0.00 O ATOM 33 OP2 DC A 2 10.207 -7.906 0.324 1.00 0.00 O ATOM 34 O5' DC A 2 11.048 -5.697 -0.551 1.00 0.00 O ATOM 35 C5' DC A 2 11.763 -4.913 -1.500 1.00 0.00 C ATOM 36 C4' DC A 2 11.000 -3.620 -1.754 1.00 0.00 C ATOM 37 O4' DC A 2 9.754 -3.898 -2.355 1.00 0.00 O ATOM 38 C3' DC A 2 10.666 -2.842 -0.472 1.00 0.00 C ATOM 39 O3' DC A 2 11.380 -1.607 -0.529 1.00 0.00 O ATOM 40 C2' DC A 2 9.141 -2.691 -0.539 1.00 0.00 C ATOM 41 C1' DC A 2 8.862 -2.858 -2.029 1.00 0.00 C ATOM 42 N1 DC A 2 7.497 -3.286 -2.408 1.00 0.00 N ATOM 43 C2 DC A 2 6.719 -2.453 -3.199 1.00 0.00 C ATOM 44 O2 DC A 2 7.053 -1.331 -3.561 1.00 0.00 O ATOM 45 N3 DC A 2 5.478 -2.947 -3.545 1.00 0.00 N ATOM 46 C4 DC A 2 5.033 -4.125 -3.151 1.00 0.00 C ATOM 47 N4 DC A 2 3.787 -4.473 -3.503 1.00 0.00 N ATOM 48 C5 DC A 2 5.805 -4.950 -2.358 1.00 0.00 C ATOM 49 C6 DC A 2 7.063 -4.482 -2.002 1.00 0.00 C ATOM 0 H5' DC A 2 11.884 -5.467 -2.431 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.764 -4.692 -1.128 1.00 0.00 H new ATOM 0 H4' DC A 2 11.659 -3.026 -2.387 1.00 0.00 H new ATOM 0 H3' DC A 2 10.950 -3.311 0.470 1.00 0.00 H new ATOM 0 H2' DC A 2 8.631 -3.448 0.057 1.00 0.00 H new ATOM 0 H2'' DC A 2 8.812 -1.719 -0.170 1.00 0.00 H new ATOM 0 H1' DC A 2 8.973 -1.901 -2.539 1.00 0.00 H new ATOM 0 H41 DC A 2 3.409 -5.376 -3.216 1.00 0.00 H new ATOM 0 H42 DC A 2 3.217 -3.835 -4.058 1.00 0.00 H new ATOM 0 H5 DC A 2 5.447 -5.915 -2.030 1.00 0.00 H new ATOM 0 H6 DC A 2 7.702 -5.097 -1.385 1.00 0.00 H new ATOM 61 P DC A 3 10.913 -0.336 0.250 1.00 0.00 P ATOM 62 OP1 DC A 3 12.126 0.628 0.314 1.00 0.00 O ATOM 63 OP2 DC A 3 10.470 -0.770 1.671 1.00 0.00 O ATOM 64 O5' DC A 3 9.694 0.358 -0.461 1.00 0.00 O ATOM 65 C5' DC A 3 9.638 1.769 -0.657 1.00 0.00 C ATOM 66 C4' DC A 3 8.310 2.320 -0.132 1.00 0.00 C ATOM 67 O4' DC A 3 7.250 1.797 -0.901 1.00 0.00 O ATOM 68 C3' DC A 3 7.955 1.935 1.307 1.00 0.00 C ATOM 69 O3' DC A 3 8.332 2.969 2.212 1.00 0.00 O ATOM 70 C2' DC A 3 6.439 1.773 1.286 1.00 0.00 C ATOM 71 C1' DC A 3 6.038 1.927 -0.190 1.00 0.00 C ATOM 72 N1 DC A 3 5.145 0.847 -0.653 1.00 0.00 N ATOM 73 C2 DC A 3 3.851 1.117 -1.083 1.00 0.00 C ATOM 74 O2 DC A 3 3.375 2.237 -1.183 1.00 0.00 O ATOM 75 N3 DC A 3 3.095 0.020 -1.439 1.00 0.00 N ATOM 76 C4 DC A 3 3.557 -1.215 -1.373 1.00 0.00 C ATOM 77 N4 DC A 3 2.769 -2.225 -1.753 1.00 0.00 N ATOM 78 C5 DC A 3 4.838 -1.474 -0.946 1.00 0.00 C ATOM 79 C6 DC A 3 5.621 -0.391 -0.597 1.00 0.00 C ATOM 0 H5' DC A 3 9.744 2.001 -1.717 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.469 2.249 -0.141 1.00 0.00 H new ATOM 0 H4' DC A 3 8.438 3.401 -0.189 1.00 0.00 H new ATOM 0 H3' DC A 3 8.471 1.033 1.637 1.00 0.00 H new ATOM 0 H2' DC A 3 6.142 0.799 1.675 1.00 0.00 H new ATOM 0 H2'' DC A 3 5.954 2.526 1.907 1.00 0.00 H new ATOM 0 H1' DC A 3 5.512 2.871 -0.336 1.00 0.00 H new ATOM 0 H41 DC A 3 3.112 -3.184 -1.708 1.00 0.00 H new ATOM 0 H42 DC A 3 1.824 -2.036 -2.088 1.00 0.00 H new ATOM 0 H5 DC A 3 5.217 -2.484 -0.886 1.00 0.00 H new ATOM 0 H6 DC A 3 6.638 -0.554 -0.273 1.00 0.00 H new ATOM 91 P DG A 4 8.414 2.672 3.752 1.00 0.00 P ATOM 92 OP1 DG A 4 9.074 3.903 4.425 1.00 0.00 O ATOM 93 OP2 DG A 4 9.252 1.391 3.993 1.00 0.00 O ATOM 94 O5' DG A 4 7.002 2.478 4.404 1.00 0.00 O ATOM 95 C5' DG A 4 6.089 3.570 4.355 1.00 0.00 C ATOM 96 C4' DG A 4 4.661 3.116 4.680 1.00 0.00 C ATOM 97 O4' DG A 4 4.322 1.837 4.171 1.00 0.00 O ATOM 98 C3' DG A 4 4.396 2.992 6.182 1.00 0.00 C ATOM 99 O3' DG A 4 4.034 4.266 6.727 1.00 0.00 O ATOM 100 C2' DG A 4 3.343 1.886 6.278 1.00 0.00 C ATOM 101 C1' DG A 4 3.122 1.466 4.829 1.00 0.00 C ATOM 102 N9 DG A 4 2.875 0.020 4.782 1.00 0.00 N ATOM 103 C8 DG A 4 3.667 -0.985 5.171 1.00 0.00 C ATOM 104 N7 DG A 4 3.125 -2.207 5.034 1.00 0.00 N ATOM 105 C5 DG A 4 1.851 -1.969 4.500 1.00 0.00 C ATOM 106 C6 DG A 4 0.751 -2.813 4.099 1.00 0.00 C ATOM 107 O6 DG A 4 0.658 -4.033 4.137 1.00 0.00 O ATOM 108 N1 DG A 4 -0.332 -2.090 3.595 1.00 0.00 N ATOM 109 C2 DG A 4 -0.379 -0.768 3.490 1.00 0.00 C ATOM 110 N2 DG A 4 -1.468 -0.176 2.972 1.00 0.00 N ATOM 111 N3 DG A 4 0.607 0.032 3.854 1.00 0.00 N ATOM 112 C4 DG A 4 1.705 -0.568 4.346 1.00 0.00 C ATOM 0 H5' DG A 4 6.112 4.022 3.364 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.399 4.338 5.063 1.00 0.00 H new ATOM 0 H4' DG A 4 4.068 3.901 4.211 1.00 0.00 H new ATOM 0 H3' DG A 4 5.259 2.714 6.787 1.00 0.00 H new ATOM 0 H2' DG A 4 3.693 1.052 6.887 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.422 2.249 6.734 1.00 0.00 H new ATOM 0 H1' DG A 4 2.261 1.935 4.354 1.00 0.00 H new ATOM 0 H8 DG A 4 4.661 -0.827 5.563 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.148 -2.617 3.284 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.506 0.840 2.890 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.257 -0.743 2.660 1.00 0.00 H new ATOM 124 P DG A 5 2.665 4.535 7.442 1.00 0.00 P ATOM 125 OP1 DG A 5 2.617 6.025 7.861 1.00 0.00 O ATOM 126 OP2 DG A 5 2.552 3.604 8.678 1.00 0.00 O ATOM 127 O5' DG A 5 1.457 4.246 6.497 1.00 0.00 O ATOM 128 C5' DG A 5 1.413 4.871 5.220 1.00 0.00 C ATOM 129 C4' DG A 5 -0.001 5.370 4.945 1.00 0.00 C ATOM 130 O4' DG A 5 -0.790 4.268 4.538 1.00 0.00 O ATOM 131 C3' DG A 5 -0.699 6.011 6.135 1.00 0.00 C ATOM 132 O3' DG A 5 -1.392 7.160 5.638 1.00 0.00 O ATOM 133 C2' DG A 5 -1.594 4.882 6.651 1.00 0.00 C ATOM 134 C1' DG A 5 -1.839 3.970 5.437 1.00 0.00 C ATOM 135 N9 DG A 5 -1.777 2.529 5.776 1.00 0.00 N ATOM 136 C8 DG A 5 -0.837 1.879 6.496 1.00 0.00 C ATOM 137 N7 DG A 5 -1.062 0.564 6.640 1.00 0.00 N ATOM 138 C5 DG A 5 -2.237 0.328 5.956 1.00 0.00 C ATOM 139 C6 DG A 5 -2.976 -0.872 5.710 1.00 0.00 C ATOM 140 O6 DG A 5 -2.715 -2.005 6.093 1.00 0.00 O ATOM 141 N1 DG A 5 -4.102 -0.676 4.925 1.00 0.00 N ATOM 142 C2 DG A 5 -4.483 0.498 4.438 1.00 0.00 C ATOM 143 N2 DG A 5 -5.594 0.553 3.682 1.00 0.00 N ATOM 144 N3 DG A 5 -3.819 1.635 4.652 1.00 0.00 N ATOM 145 C4 DG A 5 -2.699 1.549 5.406 1.00 0.00 C ATOM 0 H5' DG A 5 1.717 4.165 4.447 1.00 0.00 H new ATOM 0 H5'' DG A 5 2.116 5.703 5.186 1.00 0.00 H new ATOM 0 H4' DG A 5 0.099 6.143 4.183 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.072 6.377 6.949 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.111 4.336 7.461 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.532 5.273 7.045 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.836 4.148 5.033 1.00 0.00 H new ATOM 0 H8 DG A 5 0.023 2.376 6.920 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.677 -1.490 4.707 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.905 1.445 3.297 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.125 -0.297 3.493 1.00 0.00 H new ATOM 157 P DT A 6 -2.763 7.624 6.211 1.00 0.00 P ATOM 158 OP1 DT A 6 -3.101 9.013 5.608 1.00 0.00 O ATOM 159 OP2 DT A 6 -2.641 7.709 7.754 1.00 0.00 O ATOM 160 O5' DT A 6 -3.899 6.603 5.872 1.00 0.00 O ATOM 161 C5' DT A 6 -4.655 6.706 4.670 1.00 0.00 C ATOM 162 C4' DT A 6 -6.086 6.253 4.958 1.00 0.00 C ATOM 163 O4' DT A 6 -6.058 4.858 5.143 1.00 0.00 O ATOM 164 C3' DT A 6 -6.689 6.804 6.262 1.00 0.00 C ATOM 165 O3' DT A 6 -7.501 7.943 6.057 1.00 0.00 O ATOM 166 C2' DT A 6 -7.512 5.642 6.807 1.00 0.00 C ATOM 167 C1' DT A 6 -7.155 4.437 5.924 1.00 0.00 C ATOM 168 N1 DT A 6 -6.685 3.260 6.691 1.00 0.00 N ATOM 169 C2 DT A 6 -7.492 2.135 6.811 1.00 0.00 C ATOM 170 O2 DT A 6 -8.591 2.104 6.276 1.00 0.00 O ATOM 171 N3 DT A 6 -7.014 1.100 7.526 1.00 0.00 N ATOM 172 C4 DT A 6 -5.820 1.069 8.136 1.00 0.00 C ATOM 173 O4 DT A 6 -5.470 0.092 8.780 1.00 0.00 O ATOM 174 C5 DT A 6 -4.985 2.264 7.994 1.00 0.00 C ATOM 175 C7 DT A 6 -3.635 2.297 8.651 1.00 0.00 C ATOM 176 C6 DT A 6 -5.480 3.325 7.255 1.00 0.00 C ATOM 0 H5' DT A 6 -4.212 6.088 3.889 1.00 0.00 H new ATOM 0 H5'' DT A 6 -4.649 7.733 4.305 1.00 0.00 H new ATOM 0 H4' DT A 6 -6.684 6.610 4.120 1.00 0.00 H new ATOM 0 H3' DT A 6 -5.911 7.143 6.946 1.00 0.00 H new ATOM 0 H2' DT A 6 -7.272 5.447 7.852 1.00 0.00 H new ATOM 0 H2'' DT A 6 -8.579 5.861 6.760 1.00 0.00 H new ATOM 0 HO3' DT A 6 -7.858 8.249 6.917 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.044 4.140 5.368 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.606 0.274 7.611 1.00 0.00 H new ATOM 0 H71 DT A 6 -2.963 2.928 8.069 1.00 0.00 H new ATOM 0 H72 DT A 6 -3.731 2.701 9.659 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.231 1.286 8.702 1.00 0.00 H new ATOM 0 H6 DT A 6 -4.882 4.216 7.134 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.660 -1.700 0.514 1.00 0.00 C HETATM 192 O1 HEH A 13 1.869 -1.803 1.154 1.00 0.00 O HETATM 193 C2 HEH A 13 2.533 -3.022 1.377 1.00 0.00 C HETATM 194 C3 HEH A 13 1.942 -4.191 0.930 1.00 0.00 C HETATM 195 C4 HEH A 13 0.653 -4.163 0.243 1.00 0.00 C HETATM 196 O4 HEH A 13 0.115 -5.192 -0.151 1.00 0.00 O HETATM 197 C4A HEH A 13 0.003 -2.890 0.024 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.239 -2.776 -0.671 1.00 0.00 C HETATM 199 C13 HEH A 13 -1.944 -3.983 -1.247 1.00 0.00 C HETATM 200 C6 HEH A 13 -1.801 -1.518 -0.877 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.181 -0.337 -0.413 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.792 0.932 -0.700 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.842 0.938 -1.332 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.174 2.172 -0.268 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.733 3.456 -0.548 1.00 0.00 C HETATM 206 C9 HEH A 13 -1.115 4.601 -0.062 1.00 0.00 C HETATM 207 C10 HEH A 13 0.065 4.573 0.675 1.00 0.00 C HETATM 208 C11 HEH A 13 0.654 3.326 0.935 1.00 0.00 C HETATM 209 O11 HEH A 13 1.825 3.311 1.673 1.00 0.00 O HETATM 210 CBA HEH A 13 0.064 2.114 0.470 1.00 0.00 C HETATM 211 CCA HEH A 13 0.068 -0.398 0.291 1.00 0.00 C HETATM 212 C12 HEH A 13 0.685 0.832 0.734 1.00 0.00 C HETATM 213 OCC HEH A 13 1.771 0.800 1.308 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.873 3.662 -1.525 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.855 4.989 -2.025 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.612 5.194 -3.198 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.439 6.647 -3.654 1.00 0.00 C HETATM 218 C3E HEH A 13 -5.084 4.852 -2.924 1.00 0.00 C HETATM 219 O3E HEH A 13 -5.749 4.921 -4.170 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.201 3.465 -2.252 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.574 2.955 -2.076 1.00 0.00 N HETATM 222 C2X HEH A 13 -6.573 1.708 -1.305 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.583 3.893 -1.548 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.288 3.433 -1.005 1.00 0.00 C HETATM 225 C6F HEH A 13 0.619 5.905 1.168 1.00 0.00 C HETATM 226 O1F HEH A 13 0.030 7.007 0.495 1.00 0.00 O HETATM 227 C2F HEH A 13 0.445 7.193 -0.842 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.515 8.161 -1.549 1.00 0.00 C HETATM 229 C3F HEH A 13 1.943 7.554 -0.848 1.00 0.00 C HETATM 230 O3F HEH A 13 2.292 8.677 -0.052 1.00 0.00 O HETATM 231 C4F HEH A 13 2.787 6.432 -0.209 1.00 0.00 C HETATM 232 N4F HEH A 13 4.148 6.969 0.035 1.00 0.00 N HETATM 233 C5X HEH A 13 5.098 6.009 0.639 1.00 0.00 C HETATM 234 C1B HEH A 13 4.830 7.615 -1.103 1.00 0.00 C HETATM 235 C1C HEH A 13 2.844 5.163 -1.070 1.00 0.00 C HETATM 236 C5F HEH A 13 2.145 6.127 1.172 1.00 0.00 C HETATM 237 C14 HEH A 13 3.864 -3.009 2.091 1.00 0.00 C HETATM 238 O14 HEH A 13 4.831 -4.026 1.735 1.00 0.00 O HETATM 239 C15 HEH A 13 4.577 -1.664 2.242 1.00 0.00 C HETATM 240 C16 HEH A 13 4.135 -4.166 2.988 1.00 0.00 C HETATM 241 C17 HEH A 13 4.811 -3.912 4.331 1.00 0.00 C HETATM 242 O17 HEH A 13 5.344 -5.152 4.779 1.00 0.00 O HETATM 243 C18 HEH A 13 3.749 -3.508 5.371 1.00 0.00 C HETATM 244 C19 HEH A 13 4.375 -3.452 6.782 1.00 0.00 C HETATM 0 HMC3 HEH A 13 4.773 -4.433 7.043 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.181 -2.718 6.794 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.613 -3.165 7.507 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.778 -1.246 1.256 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.944 -0.978 2.805 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.518 -1.809 2.773 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.298 -4.467 -1.979 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.175 -4.686 -0.446 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -2.868 -3.668 -1.731 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.523 7.747 -1.537 1.00 0.00 H new HETATM 0 HM72 HEH A 13 -0.511 9.120 -1.032 1.00 0.00 H new HETATM 0 HM71 HEH A 13 -0.193 8.304 -2.581 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.835 4.777 -1.216 1.00 0.00 H new HETATM 0 HM42 HEH A 13 3.286 5.400 -2.038 1.00 0.00 H new HETATM 0 HM41 HEH A 13 3.452 4.410 -0.568 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.787 7.319 -2.869 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.386 6.842 -3.857 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -4.020 6.816 -4.560 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.941 6.897 -1.916 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.239 8.464 -1.447 1.00 0.00 H new HETATM 0 HK61 HEH A 13 5.814 7.962 -0.788 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.715 5.677 1.604 1.00 0.00 H new HETATM 0 HK52 HEH A 13 5.215 5.149 -0.020 1.00 0.00 H new HETATM 0 HK51 HEH A 13 6.065 6.493 0.779 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.275 4.241 -0.562 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.675 4.745 -2.221 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.545 3.387 -1.470 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -5.984 0.956 -1.830 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.137 1.888 -0.322 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -7.596 1.351 -1.188 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.340 5.843 2.220 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.371 6.952 1.847 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.137 7.738 -1.905 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.379 6.284 -1.440 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.680 2.894 -2.274 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.365 2.477 -0.487 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -4.827 2.714 -2.947 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.545 5.551 -2.226 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.264 4.542 -3.999 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.320 2.486 1.485 1.00 0.00 H new HETATM 0 HNF HEH A 13 3.910 7.699 0.707 1.00 0.00 H new HETATM 0 HNE HEH A 13 -6.884 2.791 -3.034 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.576 5.567 -0.268 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.748 -1.443 -1.412 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.622 5.238 1.585 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.573 4.206 -0.291 1.00 0.00 H new HETATM 0 H3F HEH A 13 1.648 8.772 0.681 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.629 5.336 -4.049 1.00 0.00 H new HETATM 0 H3 HEH A 13 2.445 -5.144 1.093 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.569 -3.136 4.222 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.559 -4.971 3.445 1.00 0.00 H new ATOM 297 O5' DA B 7 -9.628 -8.621 8.175 1.00 0.00 O ATOM 298 C5' DA B 7 -10.900 -8.003 8.055 1.00 0.00 C ATOM 299 C4' DA B 7 -11.265 -7.545 6.631 1.00 0.00 C ATOM 300 O4' DA B 7 -10.839 -6.212 6.470 1.00 0.00 O ATOM 301 C3' DA B 7 -10.635 -8.299 5.455 1.00 0.00 C ATOM 302 O3' DA B 7 -11.573 -8.231 4.385 1.00 0.00 O ATOM 303 C2' DA B 7 -9.372 -7.493 5.141 1.00 0.00 C ATOM 304 C1' DA B 7 -9.632 -6.113 5.747 1.00 0.00 C ATOM 305 N9 DA B 7 -8.591 -5.603 6.658 1.00 0.00 N ATOM 306 C8 DA B 7 -7.827 -6.222 7.584 1.00 0.00 C ATOM 307 N7 DA B 7 -7.054 -5.379 8.299 1.00 0.00 N ATOM 308 C5 DA B 7 -7.337 -4.119 7.801 1.00 0.00 C ATOM 309 C6 DA B 7 -6.928 -2.851 8.084 1.00 0.00 C ATOM 310 N6 DA B 7 -6.038 -2.624 9.066 1.00 0.00 N ATOM 311 N1 DA B 7 -7.411 -1.789 7.407 1.00 0.00 N ATOM 312 C2 DA B 7 -8.312 -2.019 6.435 1.00 0.00 C ATOM 313 N3 DA B 7 -8.771 -3.217 6.092 1.00 0.00 N ATOM 314 C4 DA B 7 -8.286 -4.262 6.776 1.00 0.00 C ATOM 0 H5' DA B 7 -10.932 -7.139 8.719 1.00 0.00 H new ATOM 0 H5'' DA B 7 -11.661 -8.701 8.403 1.00 0.00 H new ATOM 0 H4' DA B 7 -12.339 -7.722 6.582 1.00 0.00 H new ATOM 0 H3' DA B 7 -10.395 -9.346 5.640 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.487 -7.957 5.577 1.00 0.00 H new ATOM 0 H2'' DA B 7 -9.201 -7.428 4.067 1.00 0.00 H new ATOM 0 HO5' DA B 7 -9.476 -8.878 9.108 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.655 -5.406 4.918 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.834 -7.291 7.737 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.737 -1.671 9.271 1.00 0.00 H new ATOM 0 H62 DA B 7 -5.664 -3.405 9.606 1.00 0.00 H new ATOM 0 H2 DA B 7 -8.691 -1.165 5.893 1.00 0.00 H new ATOM 327 P DC B 8 -11.237 -8.739 2.941 1.00 0.00 P ATOM 328 OP1 DC B 8 -12.378 -9.691 2.505 1.00 0.00 O ATOM 329 OP2 DC B 8 -9.872 -9.478 2.931 1.00 0.00 O ATOM 330 O5' DC B 8 -11.171 -7.578 1.898 1.00 0.00 O ATOM 331 C5' DC B 8 -11.423 -6.225 2.280 1.00 0.00 C ATOM 332 C4' DC B 8 -10.344 -5.284 1.726 1.00 0.00 C ATOM 333 O4' DC B 8 -9.371 -4.991 2.701 1.00 0.00 O ATOM 334 C3' DC B 8 -9.525 -5.800 0.538 1.00 0.00 C ATOM 335 O3' DC B 8 -10.129 -5.334 -0.667 1.00 0.00 O ATOM 336 C2' DC B 8 -8.121 -5.237 0.801 1.00 0.00 C ATOM 337 C1' DC B 8 -8.277 -4.375 2.063 1.00 0.00 C ATOM 338 N1 DC B 8 -7.136 -4.370 3.011 1.00 0.00 N ATOM 339 C2 DC B 8 -6.566 -3.166 3.419 1.00 0.00 C ATOM 340 O2 DC B 8 -6.939 -2.053 3.061 1.00 0.00 O ATOM 341 N3 DC B 8 -5.493 -3.277 4.283 1.00 0.00 N ATOM 342 C4 DC B 8 -5.024 -4.441 4.703 1.00 0.00 C ATOM 343 N4 DC B 8 -3.943 -4.456 5.493 1.00 0.00 N ATOM 344 C5 DC B 8 -5.594 -5.630 4.303 1.00 0.00 C ATOM 345 C6 DC B 8 -6.674 -5.547 3.439 1.00 0.00 C ATOM 0 H5' DC B 8 -11.452 -6.150 3.367 1.00 0.00 H new ATOM 0 H5'' DC B 8 -12.402 -5.917 1.913 1.00 0.00 H new ATOM 0 H4' DC B 8 -10.944 -4.432 1.407 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.479 -6.884 0.431 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.396 -6.036 0.955 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.768 -4.644 -0.043 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.376 -3.328 1.778 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.567 -5.344 5.826 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.495 -3.580 5.761 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.217 -6.582 4.647 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.153 -6.455 3.104 1.00 0.00 H new ATOM 357 P DC B 9 -9.329 -5.241 -2.008 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.346 -5.238 -3.176 1.00 0.00 O ATOM 359 OP2 DC B 9 -8.357 -6.445 -2.110 1.00 0.00 O ATOM 360 O5' DC B 9 -8.491 -3.933 -2.113 1.00 0.00 O ATOM 361 C5' DC B 9 -9.034 -2.716 -1.612 1.00 0.00 C ATOM 362 C4' DC B 9 -7.906 -1.706 -1.415 1.00 0.00 C ATOM 363 O4' DC B 9 -7.121 -2.098 -0.306 1.00 0.00 O ATOM 364 C3' DC B 9 -6.922 -1.621 -2.597 1.00 0.00 C ATOM 365 O3' DC B 9 -7.030 -0.358 -3.259 1.00 0.00 O ATOM 366 C2' DC B 9 -5.548 -1.748 -1.945 1.00 0.00 C ATOM 367 C1' DC B 9 -5.816 -1.580 -0.441 1.00 0.00 C ATOM 368 N1 DC B 9 -4.911 -2.352 0.443 1.00 0.00 N ATOM 369 C2 DC B 9 -4.015 -1.697 1.281 1.00 0.00 C ATOM 370 O2 DC B 9 -3.916 -0.479 1.359 1.00 0.00 O ATOM 371 N3 DC B 9 -3.188 -2.508 2.040 1.00 0.00 N ATOM 372 C4 DC B 9 -3.239 -3.828 1.980 1.00 0.00 C ATOM 373 N4 DC B 9 -2.373 -4.557 2.705 1.00 0.00 N ATOM 374 C5 DC B 9 -4.137 -4.474 1.154 1.00 0.00 C ATOM 375 C6 DC B 9 -4.971 -3.680 0.385 1.00 0.00 C ATOM 0 H5' DC B 9 -9.547 -2.895 -0.667 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.775 -2.321 -2.307 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.402 -0.743 -1.293 1.00 0.00 H new ATOM 0 H3' DC B 9 -7.113 -2.387 -3.349 1.00 0.00 H new ATOM 0 H2' DC B 9 -5.094 -2.715 -2.161 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.862 -0.985 -2.313 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.670 -0.542 -0.143 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.405 -5.576 2.665 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.684 -4.091 3.295 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.187 -5.552 1.110 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.685 -4.148 -0.276 1.00 0.00 H new ATOM 387 P DG B 10 -7.491 -0.212 -4.763 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.822 0.584 -4.724 1.00 0.00 O ATOM 389 OP2 DG B 10 -7.699 -1.599 -5.421 1.00 0.00 O ATOM 390 O5' DG B 10 -6.433 0.554 -5.642 1.00 0.00 O ATOM 391 C5' DG B 10 -6.770 1.719 -6.399 1.00 0.00 C ATOM 392 C4' DG B 10 -5.597 2.703 -6.363 1.00 0.00 C ATOM 393 O4' DG B 10 -4.765 2.333 -5.274 1.00 0.00 O ATOM 394 C3' DG B 10 -4.726 2.715 -7.624 1.00 0.00 C ATOM 395 O3' DG B 10 -4.447 4.083 -7.948 1.00 0.00 O ATOM 396 C2' DG B 10 -3.509 1.913 -7.195 1.00 0.00 C ATOM 397 C1' DG B 10 -3.426 2.144 -5.685 1.00 0.00 C ATOM 398 N9 DG B 10 -2.838 0.965 -5.021 1.00 0.00 N ATOM 399 C8 DG B 10 -3.215 -0.328 -5.104 1.00 0.00 C ATOM 400 N7 DG B 10 -2.362 -1.187 -4.521 1.00 0.00 N ATOM 401 C5 DG B 10 -1.352 -0.391 -4.012 1.00 0.00 C ATOM 402 C6 DG B 10 -0.143 -0.689 -3.308 1.00 0.00 C ATOM 403 O6 DG B 10 0.311 -1.784 -3.008 1.00 0.00 O ATOM 404 N1 DG B 10 0.587 0.440 -2.957 1.00 0.00 N ATOM 405 C2 DG B 10 0.232 1.684 -3.245 1.00 0.00 C ATOM 406 N2 DG B 10 1.012 2.697 -2.839 1.00 0.00 N ATOM 407 N3 DG B 10 -0.872 1.988 -3.914 1.00 0.00 N ATOM 408 C4 DG B 10 -1.654 0.959 -4.297 1.00 0.00 C ATOM 0 H5' DG B 10 -7.665 2.187 -5.989 1.00 0.00 H new ATOM 0 H5'' DG B 10 -6.998 1.444 -7.429 1.00 0.00 H new ATOM 0 H4' DG B 10 -6.029 3.700 -6.275 1.00 0.00 H new ATOM 0 H3' DG B 10 -5.164 2.286 -8.525 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.625 0.855 -7.431 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.607 2.256 -7.701 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.797 2.996 -5.428 1.00 0.00 H new ATOM 0 H8 DG B 10 -4.123 -0.645 -5.596 1.00 0.00 H new ATOM 0 H1 DG B 10 1.456 0.302 -2.442 1.00 0.00 H new ATOM 0 H21 DG B 10 0.751 3.659 -3.054 1.00 0.00 H new ATOM 0 H22 DG B 10 1.866 2.505 -2.316 1.00 0.00 H new ATOM 420 P DG B 11 -3.091 4.550 -8.580 1.00 0.00 P ATOM 421 OP1 DG B 11 -3.234 6.040 -8.985 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.801 3.667 -9.821 1.00 0.00 O ATOM 423 O5' DG B 11 -1.894 4.388 -7.593 1.00 0.00 O ATOM 424 C5' DG B 11 -1.586 5.392 -6.633 1.00 0.00 C ATOM 425 C4' DG B 11 -0.104 5.273 -6.313 1.00 0.00 C ATOM 426 O4' DG B 11 0.136 3.977 -5.795 1.00 0.00 O ATOM 427 C3' DG B 11 0.763 5.392 -7.570 1.00 0.00 C ATOM 428 O3' DG B 11 1.744 6.398 -7.337 1.00 0.00 O ATOM 429 C2' DG B 11 1.379 4.003 -7.717 1.00 0.00 C ATOM 430 C1' DG B 11 1.343 3.450 -6.300 1.00 0.00 C ATOM 431 N9 DG B 11 1.329 1.974 -6.237 1.00 0.00 N ATOM 432 C8 DG B 11 0.419 1.102 -6.713 1.00 0.00 C ATOM 433 N7 DG B 11 0.710 -0.188 -6.447 1.00 0.00 N ATOM 434 C5 DG B 11 1.902 -0.158 -5.746 1.00 0.00 C ATOM 435 C6 DG B 11 2.733 -1.185 -5.176 1.00 0.00 C ATOM 436 O6 DG B 11 2.564 -2.399 -5.166 1.00 0.00 O ATOM 437 N1 DG B 11 3.866 -0.677 -4.558 1.00 0.00 N ATOM 438 C2 DG B 11 4.175 0.611 -4.477 1.00 0.00 C ATOM 439 N2 DG B 11 5.321 0.980 -3.883 1.00 0.00 N ATOM 440 N3 DG B 11 3.422 1.578 -4.983 1.00 0.00 N ATOM 441 C4 DG B 11 2.297 1.195 -5.614 1.00 0.00 C ATOM 0 H5' DG B 11 -2.185 5.259 -5.732 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.816 6.382 -7.026 1.00 0.00 H new ATOM 0 H4' DG B 11 0.147 6.071 -5.614 1.00 0.00 H new ATOM 0 H3' DG B 11 0.227 5.679 -8.475 1.00 0.00 H new ATOM 0 H2' DG B 11 0.808 3.381 -8.406 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.397 4.054 -8.103 1.00 0.00 H new ATOM 0 H1' DG B 11 2.235 3.728 -5.738 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.462 1.408 -7.257 1.00 0.00 H new ATOM 0 H1 DG B 11 4.511 -1.344 -4.134 1.00 0.00 H new ATOM 0 H21 DG B 11 5.566 1.968 -3.817 1.00 0.00 H new ATOM 0 H22 DG B 11 5.947 0.272 -3.498 1.00 0.00 H new ATOM 453 P DT B 12 2.870 6.668 -8.388 1.00 0.00 P ATOM 454 OP1 DT B 12 3.353 8.130 -8.211 1.00 0.00 O ATOM 455 OP2 DT B 12 2.327 6.420 -9.818 1.00 0.00 O ATOM 456 O5' DT B 12 4.080 5.719 -8.137 1.00 0.00 O ATOM 457 C5' DT B 12 4.550 5.622 -6.798 1.00 0.00 C ATOM 458 C4' DT B 12 5.887 4.889 -6.715 1.00 0.00 C ATOM 459 O4' DT B 12 5.571 3.527 -6.536 1.00 0.00 O ATOM 460 C3' DT B 12 6.791 4.955 -7.969 1.00 0.00 C ATOM 461 O3' DT B 12 8.071 5.492 -7.699 1.00 0.00 O ATOM 462 C2' DT B 12 6.880 3.511 -8.452 1.00 0.00 C ATOM 463 C1' DT B 12 6.471 2.696 -7.225 1.00 0.00 C ATOM 464 N1 DT B 12 5.728 1.457 -7.533 1.00 0.00 N ATOM 465 C2 DT B 12 6.240 0.238 -7.126 1.00 0.00 C ATOM 466 O2 DT B 12 7.306 0.179 -6.530 1.00 0.00 O ATOM 467 N3 DT B 12 5.530 -0.854 -7.420 1.00 0.00 N ATOM 468 C4 DT B 12 4.365 -0.880 -8.082 1.00 0.00 C ATOM 469 O4 DT B 12 3.807 -1.944 -8.307 1.00 0.00 O ATOM 470 C5 DT B 12 3.836 0.423 -8.506 1.00 0.00 C ATOM 471 C7 DT B 12 2.537 0.489 -9.260 1.00 0.00 C ATOM 472 C6 DT B 12 4.573 1.553 -8.192 1.00 0.00 C ATOM 0 H5' DT B 12 3.811 5.099 -6.191 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.658 6.622 -6.378 1.00 0.00 H new ATOM 0 H4' DT B 12 6.447 5.371 -5.914 1.00 0.00 H new ATOM 0 H3' DT B 12 6.374 5.625 -8.721 1.00 0.00 H new ATOM 0 H2' DT B 12 6.214 3.328 -9.295 1.00 0.00 H new ATOM 0 H2'' DT B 12 7.888 3.260 -8.782 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.599 5.509 -8.524 1.00 0.00 H new ATOM 0 H1' DT B 12 7.373 2.402 -6.688 1.00 0.00 H new ATOM 0 H3 DT B 12 5.909 -1.750 -7.113 1.00 0.00 H new ATOM 0 H71 DT B 12 2.036 1.432 -9.040 1.00 0.00 H new ATOM 0 H72 DT B 12 2.734 0.424 -10.330 1.00 0.00 H new ATOM 0 H73 DT B 12 1.898 -0.341 -8.957 1.00 0.00 H new ATOM 0 H6 DT B 12 4.207 2.526 -8.485 1.00 0.00 H new TER 486 DT B 12