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=-0.000546 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.292 (180deg=-0.292) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : A 13 HEH O11 : rot -153:sc= -1.04! USER MOD Single : A 13 HEH O3E : rot -100:sc= -1.32 USER MOD Single : A 13 HEH O3F : rot 29:sc= -0.0674 USER MOD Single : B 7 DA O5' : rot 180:sc= -0.033 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.66 (180deg=-1.66) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 8.643 -10.380 -3.737 1.00 0.00 O ATOM 2 C5' DA A 1 9.631 -10.156 -4.735 1.00 0.00 C ATOM 3 C4' DA A 1 10.263 -8.767 -4.584 1.00 0.00 C ATOM 4 O4' DA A 1 9.423 -7.843 -5.240 1.00 0.00 O ATOM 5 C3' DA A 1 10.374 -8.268 -3.140 1.00 0.00 C ATOM 6 O3' DA A 1 11.512 -7.415 -3.064 1.00 0.00 O ATOM 7 C2' DA A 1 9.113 -7.437 -2.967 1.00 0.00 C ATOM 8 C1' DA A 1 8.956 -6.844 -4.362 1.00 0.00 C ATOM 9 N9 DA A 1 7.585 -6.509 -4.774 1.00 0.00 N ATOM 10 C8 DA A 1 6.458 -7.247 -4.761 1.00 0.00 C ATOM 11 N7 DA A 1 5.396 -6.612 -5.304 1.00 0.00 N ATOM 12 C5 DA A 1 5.876 -5.372 -5.701 1.00 0.00 C ATOM 13 C6 DA A 1 5.353 -4.266 -6.310 1.00 0.00 C ATOM 14 N6 DA A 1 4.058 -4.201 -6.662 1.00 0.00 N ATOM 15 N1 DA A 1 6.119 -3.190 -6.569 1.00 0.00 N ATOM 16 C2 DA A 1 7.412 -3.218 -6.207 1.00 0.00 C ATOM 17 N3 DA A 1 8.004 -4.245 -5.613 1.00 0.00 N ATOM 18 C4 DA A 1 7.239 -5.313 -5.364 1.00 0.00 C ATOM 0 H5' DA A 1 9.181 -10.249 -5.724 1.00 0.00 H new ATOM 0 H5'' DA A 1 10.404 -10.921 -4.664 1.00 0.00 H new ATOM 0 H4' DA A 1 11.270 -8.848 -4.992 1.00 0.00 H new ATOM 0 H3' DA A 1 10.473 -9.057 -2.394 1.00 0.00 H new ATOM 0 H2' DA A 1 8.255 -8.045 -2.679 1.00 0.00 H new ATOM 0 H2'' DA A 1 9.229 -6.668 -2.203 1.00 0.00 H new ATOM 0 HO5' DA A 1 8.254 -11.272 -3.856 1.00 0.00 H new ATOM 0 H1' DA A 1 9.498 -5.898 -4.375 1.00 0.00 H new ATOM 0 H8 DA A 1 6.408 -8.247 -4.357 1.00 0.00 H new ATOM 0 H61 DA A 1 3.694 -3.363 -7.115 1.00 0.00 H new ATOM 0 H62 DA A 1 3.439 -4.990 -6.476 1.00 0.00 H new ATOM 0 H2 DA A 1 8.011 -2.344 -6.414 1.00 0.00 H new ATOM 31 P DC A 2 12.018 -6.860 -1.690 1.00 0.00 P ATOM 32 OP1 DC A 2 13.559 -7.019 -1.656 1.00 0.00 O ATOM 33 OP2 DC A 2 11.351 -7.630 -0.520 1.00 0.00 O ATOM 34 O5' DC A 2 11.695 -5.348 -1.508 1.00 0.00 O ATOM 35 C5' DC A 2 11.927 -4.446 -2.586 1.00 0.00 C ATOM 36 C4' DC A 2 10.969 -3.264 -2.471 1.00 0.00 C ATOM 37 O4' DC A 2 9.667 -3.666 -2.825 1.00 0.00 O ATOM 38 C3' DC A 2 10.823 -2.682 -1.054 1.00 0.00 C ATOM 39 O3' DC A 2 11.371 -1.366 -1.038 1.00 0.00 O ATOM 40 C2' DC A 2 9.313 -2.633 -0.824 1.00 0.00 C ATOM 41 C1' DC A 2 8.774 -2.748 -2.244 1.00 0.00 C ATOM 42 N1 DC A 2 7.402 -3.263 -2.434 1.00 0.00 N ATOM 43 C2 DC A 2 6.529 -2.513 -3.199 1.00 0.00 C ATOM 44 O2 DC A 2 6.799 -1.423 -3.688 1.00 0.00 O ATOM 45 N3 DC A 2 5.278 -3.049 -3.380 1.00 0.00 N ATOM 46 C4 DC A 2 4.902 -4.201 -2.866 1.00 0.00 C ATOM 47 N4 DC A 2 3.640 -4.587 -3.105 1.00 0.00 N ATOM 48 C5 DC A 2 5.768 -4.953 -2.097 1.00 0.00 C ATOM 49 C6 DC A 2 7.044 -4.435 -1.901 1.00 0.00 C ATOM 0 H5' DC A 2 11.782 -4.955 -3.539 1.00 0.00 H new ATOM 0 H5'' DC A 2 12.959 -4.096 -2.566 1.00 0.00 H new ATOM 0 H4' DC A 2 11.402 -2.510 -3.128 1.00 0.00 H new ATOM 0 H3' DC A 2 11.336 -3.264 -0.288 1.00 0.00 H new ATOM 0 H2' DC A 2 8.970 -3.450 -0.190 1.00 0.00 H new ATOM 0 H2'' DC A 2 9.003 -1.705 -0.344 1.00 0.00 H new ATOM 0 H1' DC A 2 8.709 -1.746 -2.667 1.00 0.00 H new ATOM 0 H41 DC A 2 3.298 -5.472 -2.730 1.00 0.00 H new ATOM 0 H42 DC A 2 3.023 -3.996 -3.662 1.00 0.00 H new ATOM 0 H5 DC A 2 5.469 -5.898 -1.668 1.00 0.00 H new ATOM 0 H6 DC A 2 7.757 -4.989 -1.308 1.00 0.00 H new ATOM 61 P DC A 3 11.562 -0.607 0.320 1.00 0.00 P ATOM 62 OP1 DC A 3 12.750 0.377 0.162 1.00 0.00 O ATOM 63 OP2 DC A 3 11.829 -1.623 1.460 1.00 0.00 O ATOM 64 O5' DC A 3 10.286 0.208 0.706 1.00 0.00 O ATOM 65 C5' DC A 3 10.008 1.435 0.041 1.00 0.00 C ATOM 66 C4' DC A 3 8.680 2.030 0.526 1.00 0.00 C ATOM 67 O4' DC A 3 7.657 1.625 -0.353 1.00 0.00 O ATOM 68 C3' DC A 3 8.172 1.573 1.902 1.00 0.00 C ATOM 69 O3' DC A 3 8.599 2.464 2.928 1.00 0.00 O ATOM 70 C2' DC A 3 6.656 1.607 1.766 1.00 0.00 C ATOM 71 C1' DC A 3 6.403 1.811 0.263 1.00 0.00 C ATOM 72 N1 DC A 3 5.500 0.799 -0.321 1.00 0.00 N ATOM 73 C2 DC A 3 4.273 1.181 -0.839 1.00 0.00 C ATOM 74 O2 DC A 3 3.943 2.351 -0.943 1.00 0.00 O ATOM 75 N3 DC A 3 3.447 0.163 -1.280 1.00 0.00 N ATOM 76 C4 DC A 3 3.808 -1.108 -1.216 1.00 0.00 C ATOM 77 N4 DC A 3 2.949 -2.052 -1.614 1.00 0.00 N ATOM 78 C5 DC A 3 5.040 -1.478 -0.713 1.00 0.00 C ATOM 79 C6 DC A 3 5.880 -0.473 -0.269 1.00 0.00 C ATOM 0 H5' DC A 3 9.965 1.269 -1.035 1.00 0.00 H new ATOM 0 H5'' DC A 3 10.817 2.143 0.222 1.00 0.00 H new ATOM 0 H4' DC A 3 8.890 3.098 0.575 1.00 0.00 H new ATOM 0 H3' DC A 3 8.552 0.589 2.177 1.00 0.00 H new ATOM 0 H2' DC A 3 6.206 0.680 2.121 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.224 2.417 2.354 1.00 0.00 H new ATOM 0 H1' DC A 3 5.947 2.790 0.114 1.00 0.00 H new ATOM 0 H41 DC A 3 3.216 -3.036 -1.570 1.00 0.00 H new ATOM 0 H42 DC A 3 2.027 -1.789 -1.962 1.00 0.00 H new ATOM 0 H5 DC A 3 5.337 -2.515 -0.668 1.00 0.00 H new ATOM 0 H6 DC A 3 6.854 -0.725 0.124 1.00 0.00 H new ATOM 91 P DG A 4 8.525 2.014 4.432 1.00 0.00 P ATOM 92 OP1 DG A 4 9.337 3.040 5.263 1.00 0.00 O ATOM 93 OP2 DG A 4 9.115 0.589 4.582 1.00 0.00 O ATOM 94 O5' DG A 4 7.060 2.009 4.993 1.00 0.00 O ATOM 95 C5' DG A 4 6.333 3.235 4.991 1.00 0.00 C ATOM 96 C4' DG A 4 4.823 2.990 4.848 1.00 0.00 C ATOM 97 O4' DG A 4 4.515 1.657 4.475 1.00 0.00 O ATOM 98 C3' DG A 4 4.003 3.253 6.129 1.00 0.00 C ATOM 99 O3' DG A 4 3.085 4.297 5.840 1.00 0.00 O ATOM 100 C2' DG A 4 3.224 1.970 6.338 1.00 0.00 C ATOM 101 C1' DG A 4 3.210 1.387 4.949 1.00 0.00 C ATOM 102 N9 DG A 4 2.942 -0.051 5.002 1.00 0.00 N ATOM 103 C8 DG A 4 3.716 -1.046 5.450 1.00 0.00 C ATOM 104 N7 DG A 4 3.173 -2.270 5.297 1.00 0.00 N ATOM 105 C5 DG A 4 1.920 -2.038 4.715 1.00 0.00 C ATOM 106 C6 DG A 4 0.830 -2.882 4.287 1.00 0.00 C ATOM 107 O6 DG A 4 0.730 -4.101 4.343 1.00 0.00 O ATOM 108 N1 DG A 4 -0.231 -2.158 3.735 1.00 0.00 N ATOM 109 C2 DG A 4 -0.262 -0.837 3.612 1.00 0.00 C ATOM 110 N2 DG A 4 -1.319 -0.234 3.045 1.00 0.00 N ATOM 111 N3 DG A 4 0.716 -0.041 3.999 1.00 0.00 N ATOM 112 C4 DG A 4 1.788 -0.641 4.537 1.00 0.00 C ATOM 0 H5' DG A 4 6.680 3.865 4.172 1.00 0.00 H new ATOM 0 H5'' DG A 4 6.529 3.778 5.916 1.00 0.00 H new ATOM 0 H4' DG A 4 4.548 3.706 4.074 1.00 0.00 H new ATOM 0 H3' DG A 4 4.610 3.525 6.993 1.00 0.00 H new ATOM 0 H2' DG A 4 3.711 1.308 7.054 1.00 0.00 H new ATOM 0 H2'' DG A 4 2.218 2.159 6.712 1.00 0.00 H new ATOM 0 H1' DG A 4 2.436 1.805 4.305 1.00 0.00 H new ATOM 0 H8 DG A 4 4.687 -0.883 5.894 1.00 0.00 H new ATOM 0 H1 DG A 4 -1.040 -2.683 3.403 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.338 0.782 2.953 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.103 -0.792 2.706 1.00 0.00 H new ATOM 124 P DG A 5 2.229 4.988 6.956 1.00 0.00 P ATOM 125 OP1 DG A 5 2.992 6.240 7.455 1.00 0.00 O ATOM 126 OP2 DG A 5 1.944 4.004 8.121 1.00 0.00 O ATOM 127 O5' DG A 5 0.862 5.448 6.371 1.00 0.00 O ATOM 128 C5' DG A 5 0.859 5.974 5.048 1.00 0.00 C ATOM 129 C4' DG A 5 -0.571 6.101 4.528 1.00 0.00 C ATOM 130 O4' DG A 5 -1.048 4.820 4.155 1.00 0.00 O ATOM 131 C3' DG A 5 -1.543 6.674 5.542 1.00 0.00 C ATOM 132 O3' DG A 5 -2.326 7.638 4.839 1.00 0.00 O ATOM 133 C2' DG A 5 -2.319 5.439 6.000 1.00 0.00 C ATOM 134 C1' DG A 5 -2.236 4.455 4.826 1.00 0.00 C ATOM 135 N9 DG A 5 -2.104 3.047 5.262 1.00 0.00 N ATOM 136 C8 DG A 5 -1.138 2.509 6.036 1.00 0.00 C ATOM 137 N7 DG A 5 -1.298 1.198 6.281 1.00 0.00 N ATOM 138 C5 DG A 5 -2.454 0.842 5.611 1.00 0.00 C ATOM 139 C6 DG A 5 -3.138 -0.411 5.464 1.00 0.00 C ATOM 140 O6 DG A 5 -2.831 -1.503 5.931 1.00 0.00 O ATOM 141 N1 DG A 5 -4.269 -0.327 4.668 1.00 0.00 N ATOM 142 C2 DG A 5 -4.702 0.787 4.089 1.00 0.00 C ATOM 143 N2 DG A 5 -5.823 0.743 3.347 1.00 0.00 N ATOM 144 N3 DG A 5 -4.090 1.966 4.207 1.00 0.00 N ATOM 145 C4 DG A 5 -2.970 1.992 4.964 1.00 0.00 C ATOM 0 H5' DG A 5 1.435 5.324 4.390 1.00 0.00 H new ATOM 0 H5'' DG A 5 1.345 6.950 5.037 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.525 6.790 3.685 1.00 0.00 H new ATOM 0 H3' DG A 5 -1.125 7.187 6.408 1.00 0.00 H new ATOM 0 H2' DG A 5 -1.883 5.012 6.903 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.354 5.688 6.233 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.142 4.508 4.222 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.309 3.082 6.424 1.00 0.00 H new ATOM 0 H1 DG A 5 -4.807 -1.180 4.516 1.00 0.00 H new ATOM 0 H21 DG A 5 -6.169 1.590 2.895 1.00 0.00 H new ATOM 0 H22 DG A 5 -6.327 -0.137 3.236 1.00 0.00 H new ATOM 157 P DT A 6 -3.693 8.129 5.386 1.00 0.00 P ATOM 158 OP1 DT A 6 -4.069 9.442 4.652 1.00 0.00 O ATOM 159 OP2 DT A 6 -3.562 8.360 6.913 1.00 0.00 O ATOM 160 O5' DT A 6 -4.794 7.052 5.147 1.00 0.00 O ATOM 161 C5' DT A 6 -5.385 6.900 3.863 1.00 0.00 C ATOM 162 C4' DT A 6 -6.779 6.291 4.020 1.00 0.00 C ATOM 163 O4' DT A 6 -6.633 4.903 4.211 1.00 0.00 O ATOM 164 C3' DT A 6 -7.558 6.751 5.268 1.00 0.00 C ATOM 165 O3' DT A 6 -8.283 7.955 5.123 1.00 0.00 O ATOM 166 C2' DT A 6 -8.400 5.535 5.640 1.00 0.00 C ATOM 167 C1' DT A 6 -7.743 4.360 4.899 1.00 0.00 C ATOM 168 N1 DT A 6 -7.200 3.321 5.805 1.00 0.00 N ATOM 169 C2 DT A 6 -7.876 2.117 5.965 1.00 0.00 C ATOM 170 O2 DT A 6 -8.919 1.913 5.359 1.00 0.00 O ATOM 171 N3 DT A 6 -7.341 1.206 6.800 1.00 0.00 N ATOM 172 C4 DT A 6 -6.206 1.373 7.493 1.00 0.00 C ATOM 173 O4 DT A 6 -5.794 0.498 8.240 1.00 0.00 O ATOM 174 C5 DT A 6 -5.508 2.647 7.309 1.00 0.00 C ATOM 175 C7 DT A 6 -4.225 2.896 8.053 1.00 0.00 C ATOM 176 C6 DT A 6 -6.061 3.579 6.448 1.00 0.00 C ATOM 0 H5' DT A 6 -4.764 6.260 3.237 1.00 0.00 H new ATOM 0 H5'' DT A 6 -5.451 7.866 3.363 1.00 0.00 H new ATOM 0 H4' DT A 6 -7.320 6.598 3.125 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.884 7.044 6.073 1.00 0.00 H new ATOM 0 H2' DT A 6 -8.403 5.371 6.718 1.00 0.00 H new ATOM 0 H2'' DT A 6 -9.438 5.664 5.334 1.00 0.00 H new ATOM 0 HO3' DT A 6 -8.743 8.163 5.963 1.00 0.00 H new ATOM 0 H1' DT A 6 -8.498 3.894 4.266 1.00 0.00 H new ATOM 0 H3 DT A 6 -7.837 0.322 6.914 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.588 3.559 7.468 1.00 0.00 H new ATOM 0 H72 DT A 6 -4.446 3.360 9.014 1.00 0.00 H new ATOM 0 H73 DT A 6 -3.710 1.949 8.217 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.564 4.526 6.295 1.00 0.00 H new TER 190 DT A 6 HETATM 191 CCB HEH A 13 0.583 -1.942 0.560 1.00 0.00 C HETATM 192 O1 HEH A 13 1.784 -2.050 1.198 1.00 0.00 O HETATM 193 C2 HEH A 13 2.438 -3.264 1.430 1.00 0.00 C HETATM 194 C3 HEH A 13 1.845 -4.438 1.005 1.00 0.00 C HETATM 195 C4 HEH A 13 0.555 -4.407 0.317 1.00 0.00 C HETATM 196 O4 HEH A 13 0.005 -5.435 -0.060 1.00 0.00 O HETATM 197 C4A HEH A 13 -0.086 -3.127 0.086 1.00 0.00 C HETATM 198 C5 HEH A 13 -1.329 -2.998 -0.602 1.00 0.00 C HETATM 199 C13 HEH A 13 -2.054 -4.206 -1.149 1.00 0.00 C HETATM 200 C6 HEH A 13 -1.881 -1.732 -0.804 1.00 0.00 C HETATM 201 C6A HEH A 13 -1.249 -0.554 -0.346 1.00 0.00 C HETATM 202 C7 HEH A 13 -1.853 0.731 -0.598 1.00 0.00 C HETATM 203 O7C HEH A 13 -2.912 0.762 -1.214 1.00 0.00 O HETATM 204 C7A HEH A 13 -1.218 1.958 -0.145 1.00 0.00 C HETATM 205 C8 HEH A 13 -1.749 3.261 -0.394 1.00 0.00 C HETATM 206 C9 HEH A 13 -1.099 4.392 0.103 1.00 0.00 C HETATM 207 C10 HEH A 13 0.086 4.319 0.825 1.00 0.00 C HETATM 208 C11 HEH A 13 0.640 3.053 1.059 1.00 0.00 C HETATM 209 O11 HEH A 13 1.812 2.996 1.792 1.00 0.00 O HETATM 210 CBA HEH A 13 0.024 1.865 0.579 1.00 0.00 C HETATM 211 CCA HEH A 13 0.002 -0.637 0.350 1.00 0.00 C HETATM 212 C12 HEH A 13 0.636 0.575 0.805 1.00 0.00 C HETATM 213 OCC HEH A 13 1.736 0.520 1.349 1.00 0.00 O HETATM 214 C6E HEH A 13 -2.897 3.503 -1.353 1.00 0.00 C HETATM 215 O1E HEH A 13 -2.809 4.832 -1.827 1.00 0.00 O HETATM 216 C2E HEH A 13 -3.579 5.165 -2.958 1.00 0.00 C HETATM 217 C1X HEH A 13 -3.241 6.634 -3.252 1.00 0.00 C HETATM 218 C3E HEH A 13 -5.066 4.902 -2.645 1.00 0.00 C HETATM 219 O3E HEH A 13 -5.892 4.960 -3.793 1.00 0.00 O HETATM 220 C4E HEH A 13 -5.241 3.495 -2.042 1.00 0.00 C HETATM 221 N4E HEH A 13 -6.643 3.045 -1.964 1.00 0.00 N HETATM 222 C2X HEH A 13 -6.809 1.867 -1.105 1.00 0.00 C HETATM 223 C3X HEH A 13 -7.664 4.070 -1.694 1.00 0.00 C HETATM 224 C5E HEH A 13 -4.320 3.332 -0.813 1.00 0.00 C HETATM 225 C6F HEH A 13 0.736 5.608 1.313 1.00 0.00 C HETATM 226 O1F HEH A 13 0.174 6.788 0.745 1.00 0.00 O HETATM 227 C2F HEH A 13 0.558 7.146 -0.576 1.00 0.00 C HETATM 228 C1A HEH A 13 -0.222 8.395 -1.005 1.00 0.00 C HETATM 229 C3F HEH A 13 2.109 7.247 -0.727 1.00 0.00 C HETATM 230 O3F HEH A 13 2.701 8.289 0.025 1.00 0.00 O HETATM 231 C4F HEH A 13 2.779 5.944 -0.235 1.00 0.00 C HETATM 232 N4F HEH A 13 4.265 5.865 -0.287 1.00 0.00 N HETATM 233 C5X HEH A 13 4.860 6.538 -1.455 1.00 0.00 C HETATM 234 C1B HEH A 13 5.088 6.190 0.900 1.00 0.00 C HETATM 235 C1C HEH A 13 2.358 4.777 -1.138 1.00 0.00 C HETATM 236 C5F HEH A 13 2.260 5.730 1.200 1.00 0.00 C HETATM 237 C14 HEH A 13 3.775 -3.218 2.111 1.00 0.00 C HETATM 238 O14 HEH A 13 4.715 -4.284 1.853 1.00 0.00 O HETATM 239 C15 HEH A 13 4.420 -1.841 2.219 1.00 0.00 C HETATM 240 C16 HEH A 13 4.036 -4.266 3.127 1.00 0.00 C HETATM 241 C17 HEH A 13 4.798 -3.874 4.394 1.00 0.00 C HETATM 242 O17 HEH A 13 5.671 -4.919 4.744 1.00 0.00 O HETATM 243 C18 HEH A 13 3.824 -3.572 5.553 1.00 0.00 C HETATM 244 C19 HEH A 13 4.590 -3.509 6.883 1.00 0.00 C HETATM 0 HMC3 HEH A 13 5.079 -4.466 7.067 1.00 0.00 H new HETATM 0 HMC2 HEH A 13 5.342 -2.721 6.833 1.00 0.00 H new HETATM 0 HMC1 HEH A 13 3.894 -3.295 7.694 1.00 0.00 H new HETATM 0 HMB3 HEH A 13 4.574 -1.432 1.220 1.00 0.00 H new HETATM 0 HMB2 HEH A 13 3.768 -1.177 2.786 1.00 0.00 H new HETATM 0 HMB1 HEH A 13 5.380 -1.928 2.728 1.00 0.00 H new HETATM 0 HMA3 HEH A 13 -1.419 -4.714 -1.875 1.00 0.00 H new HETATM 0 HMA2 HEH A 13 -2.290 -4.889 -0.333 1.00 0.00 H new HETATM 0 HMA1 HEH A 13 -2.977 -3.888 -1.634 1.00 0.00 H new HETATM 0 HM73 HEH A 13 -1.291 8.183 -0.979 1.00 0.00 H new HETATM 0 HM72 HEH A 13 0.002 9.216 -0.323 1.00 0.00 H new HETATM 0 HM71 HEH A 13 0.068 8.675 -2.018 1.00 0.00 H new HETATM 0 HM43 HEH A 13 1.275 4.663 -1.103 1.00 0.00 H new HETATM 0 HM42 HEH A 13 2.669 4.979 -2.163 1.00 0.00 H new HETATM 0 HM41 HEH A 13 2.831 3.859 -0.790 1.00 0.00 H new HETATM 0 HM13 HEH A 13 -3.506 7.248 -2.391 1.00 0.00 H new HETATM 0 HM12 HEH A 13 -2.173 6.729 -3.451 1.00 0.00 H new HETATM 0 HM11 HEH A 13 -3.803 6.969 -4.123 1.00 0.00 H new HETATM 0 HK63 HEH A 13 4.900 7.220 1.202 1.00 0.00 H new HETATM 0 HK62 HEH A 13 4.828 5.519 1.718 1.00 0.00 H new HETATM 0 HK61 HEH A 13 6.143 6.071 0.655 1.00 0.00 H new HETATM 0 HK53 HEH A 13 4.482 6.082 -2.370 1.00 0.00 H new HETATM 0 HK52 HEH A 13 4.595 7.595 -1.440 1.00 0.00 H new HETATM 0 HK51 HEH A 13 5.945 6.436 -1.420 1.00 0.00 H new HETATM 0 HG33 HEH A 13 -7.457 4.546 -0.735 1.00 0.00 H new HETATM 0 HG32 HEH A 13 -7.643 4.821 -2.484 1.00 0.00 H new HETATM 0 HG31 HEH A 13 -8.649 3.603 -1.663 1.00 0.00 H new HETATM 0 HG23 HEH A 13 -6.214 1.043 -1.499 1.00 0.00 H new HETATM 0 HG22 HEH A 13 -6.477 2.104 -0.094 1.00 0.00 H new HETATM 0 HG21 HEH A 13 -7.860 1.578 -1.083 1.00 0.00 H new HETATM 0 HF6' HEH A 13 0.504 5.525 2.375 1.00 0.00 H new HETATM 0 HF5' HEH A 13 2.592 6.562 1.821 1.00 0.00 H new HETATM 0 HF3' HEH A 13 2.267 7.439 -1.788 1.00 0.00 H new HETATM 0 HF2' HEH A 13 0.287 6.354 -1.274 1.00 0.00 H new HETATM 0 HE6' HEH A 13 -2.770 2.727 -2.108 1.00 0.00 H new HETATM 0 HE5' HEH A 13 -4.451 2.354 -0.350 1.00 0.00 H new HETATM 0 HE4' HEH A 13 -4.877 2.735 -2.733 1.00 0.00 H new HETATM 0 HE3' HEH A 13 -5.364 5.686 -1.949 1.00 0.00 H new HETATM 0 HE2' HEH A 13 -3.364 4.567 -3.844 1.00 0.00 H new HETATM 0 H11D HEH A 13 2.318 2.196 1.538 1.00 0.00 H new HETATM 0 HNF HEH A 13 4.318 4.848 -0.348 1.00 0.00 H new HETATM 0 HNE HEH A 13 -6.837 2.777 -2.929 1.00 0.00 H new HETATM 0 H9 HEH A 13 -1.539 5.372 -0.083 1.00 0.00 H new HETATM 0 H6 HEH A 13 -2.831 -1.649 -1.332 1.00 0.00 H new HETATM 0 H5F HEH A 13 2.715 4.827 1.607 1.00 0.00 H new HETATM 0 H5E HEH A 13 -4.544 4.078 -0.051 1.00 0.00 H new HETATM 0 H3F HEH A 13 2.164 8.459 0.827 1.00 0.00 H new HETATM 0 H3E HEH A 13 -6.341 5.830 -3.829 1.00 0.00 H new HETATM 0 H3 HEH A 13 2.341 -5.392 1.184 1.00 0.00 H new HETATM 0 H17 HEH A 13 5.371 -2.967 4.201 1.00 0.00 H new HETATM 0 H16 HEH A 13 3.437 -4.985 3.686 1.00 0.00 H new ATOM 297 O5' DA B 7 -9.139 -8.660 8.539 1.00 0.00 O ATOM 298 C5' DA B 7 -10.482 -8.199 8.447 1.00 0.00 C ATOM 299 C4' DA B 7 -10.862 -7.826 7.007 1.00 0.00 C ATOM 300 O4' DA B 7 -10.466 -6.496 6.760 1.00 0.00 O ATOM 301 C3' DA B 7 -10.180 -8.669 5.929 1.00 0.00 C ATOM 302 O3' DA B 7 -11.088 -8.782 4.832 1.00 0.00 O ATOM 303 C2' DA B 7 -8.925 -7.856 5.603 1.00 0.00 C ATOM 304 C1' DA B 7 -9.292 -6.416 5.981 1.00 0.00 C ATOM 305 N9 DA B 7 -8.277 -5.690 6.768 1.00 0.00 N ATOM 306 C8 DA B 7 -7.439 -6.119 7.735 1.00 0.00 C ATOM 307 N7 DA B 7 -6.680 -5.141 8.269 1.00 0.00 N ATOM 308 C5 DA B 7 -7.056 -3.987 7.603 1.00 0.00 C ATOM 309 C6 DA B 7 -6.697 -2.673 7.666 1.00 0.00 C ATOM 310 N6 DA B 7 -5.747 -2.268 8.525 1.00 0.00 N ATOM 311 N1 DA B 7 -7.272 -1.748 6.870 1.00 0.00 N ATOM 312 C2 DA B 7 -8.209 -2.162 6.000 1.00 0.00 C ATOM 313 N3 DA B 7 -8.621 -3.420 5.868 1.00 0.00 N ATOM 314 C4 DA B 7 -8.048 -4.329 6.668 1.00 0.00 C ATOM 0 H5' DA B 7 -10.613 -7.331 9.093 1.00 0.00 H new ATOM 0 H5'' DA B 7 -11.157 -8.973 8.812 1.00 0.00 H new ATOM 0 H4' DA B 7 -11.938 -7.991 6.943 1.00 0.00 H new ATOM 0 H3' DA B 7 -9.914 -9.688 6.209 1.00 0.00 H new ATOM 0 H2' DA B 7 -8.065 -8.209 6.172 1.00 0.00 H new ATOM 0 H2'' DA B 7 -8.664 -7.935 4.548 1.00 0.00 H new ATOM 0 HO5' DA B 7 -8.934 -8.886 9.470 1.00 0.00 H new ATOM 0 H1' DA B 7 -9.398 -5.858 5.051 1.00 0.00 H new ATOM 0 H8 DA B 7 -7.382 -7.150 8.052 1.00 0.00 H new ATOM 0 H61 DA B 7 -5.483 -1.284 8.567 1.00 0.00 H new ATOM 0 H62 DA B 7 -5.289 -2.945 9.135 1.00 0.00 H new ATOM 0 H2 DA B 7 -8.661 -1.418 5.361 1.00 0.00 H new ATOM 327 P DC B 8 -10.598 -9.083 3.378 1.00 0.00 P ATOM 328 OP1 DC B 8 -11.800 -9.636 2.570 1.00 0.00 O ATOM 329 OP2 DC B 8 -9.441 -10.114 3.430 1.00 0.00 O ATOM 330 O5' DC B 8 -10.084 -7.802 2.661 1.00 0.00 O ATOM 331 C5' DC B 8 -10.959 -6.686 2.548 1.00 0.00 C ATOM 332 C4' DC B 8 -10.204 -5.519 1.919 1.00 0.00 C ATOM 333 O4' DC B 8 -9.260 -5.032 2.846 1.00 0.00 O ATOM 334 C3' DC B 8 -9.386 -5.899 0.679 1.00 0.00 C ATOM 335 O3' DC B 8 -10.015 -5.358 -0.481 1.00 0.00 O ATOM 336 C2' DC B 8 -8.010 -5.288 0.944 1.00 0.00 C ATOM 337 C1' DC B 8 -8.212 -4.387 2.166 1.00 0.00 C ATOM 338 N1 DC B 8 -7.069 -4.301 3.107 1.00 0.00 N ATOM 339 C2 DC B 8 -6.529 -3.063 3.437 1.00 0.00 C ATOM 340 O2 DC B 8 -6.931 -1.983 3.015 1.00 0.00 O ATOM 341 N3 DC B 8 -5.467 -3.090 4.317 1.00 0.00 N ATOM 342 C4 DC B 8 -4.977 -4.209 4.825 1.00 0.00 C ATOM 343 N4 DC B 8 -3.923 -4.127 5.648 1.00 0.00 N ATOM 344 C5 DC B 8 -5.516 -5.437 4.500 1.00 0.00 C ATOM 345 C6 DC B 8 -6.588 -5.437 3.619 1.00 0.00 C ATOM 0 H5' DC B 8 -11.336 -6.403 3.531 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.824 -6.947 1.938 1.00 0.00 H new ATOM 0 H4' DC B 8 -10.970 -4.797 1.636 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.308 -6.972 0.503 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.265 -6.060 1.140 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.659 -4.717 0.085 1.00 0.00 H new ATOM 0 H1' DC B 8 -8.375 -3.362 1.834 1.00 0.00 H new ATOM 0 H41 DC B 8 -3.526 -4.974 6.054 1.00 0.00 H new ATOM 0 H42 DC B 8 -3.518 -3.217 5.869 1.00 0.00 H new ATOM 0 H5 DC B 8 -5.122 -6.354 4.912 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.043 -6.376 3.341 1.00 0.00 H new ATOM 357 P DC B 9 -9.259 -5.296 -1.853 1.00 0.00 P ATOM 358 OP1 DC B 9 -10.313 -5.345 -2.987 1.00 0.00 O ATOM 359 OP2 DC B 9 -8.274 -6.490 -1.952 1.00 0.00 O ATOM 360 O5' DC B 9 -8.439 -3.979 -2.021 1.00 0.00 O ATOM 361 C5' DC B 9 -8.961 -2.758 -1.504 1.00 0.00 C ATOM 362 C4' DC B 9 -7.817 -1.777 -1.235 1.00 0.00 C ATOM 363 O4' DC B 9 -7.051 -2.201 -0.127 1.00 0.00 O ATOM 364 C3' DC B 9 -6.805 -1.661 -2.382 1.00 0.00 C ATOM 365 O3' DC B 9 -6.969 -0.418 -3.063 1.00 0.00 O ATOM 366 C2' DC B 9 -5.447 -1.695 -1.695 1.00 0.00 C ATOM 367 C1' DC B 9 -5.769 -1.610 -0.198 1.00 0.00 C ATOM 368 N1 DC B 9 -4.840 -2.378 0.663 1.00 0.00 N ATOM 369 C2 DC B 9 -3.925 -1.717 1.473 1.00 0.00 C ATOM 370 O2 DC B 9 -3.812 -0.500 1.527 1.00 0.00 O ATOM 371 N3 DC B 9 -3.088 -2.521 2.227 1.00 0.00 N ATOM 372 C4 DC B 9 -3.147 -3.841 2.189 1.00 0.00 C ATOM 373 N4 DC B 9 -2.286 -4.558 2.931 1.00 0.00 N ATOM 374 C5 DC B 9 -4.061 -4.494 1.388 1.00 0.00 C ATOM 375 C6 DC B 9 -4.905 -3.706 0.623 1.00 0.00 C ATOM 0 H5' DC B 9 -9.513 -2.949 -0.583 1.00 0.00 H new ATOM 0 H5'' DC B 9 -9.665 -2.324 -2.214 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.319 -0.822 -1.082 1.00 0.00 H new ATOM 0 H3' DC B 9 -6.925 -2.453 -3.121 1.00 0.00 H new ATOM 0 H2' DC B 9 -4.905 -2.610 -1.933 1.00 0.00 H new ATOM 0 H2'' DC B 9 -4.820 -0.862 -2.014 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.697 -0.583 0.159 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.321 -5.577 2.911 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.597 -4.083 3.515 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.116 -5.572 1.359 1.00 0.00 H new ATOM 0 H6 DC B 9 -5.632 -4.180 -0.020 1.00 0.00 H new ATOM 387 P DG B 10 -7.141 -0.333 -4.626 1.00 0.00 P ATOM 388 OP1 DG B 10 -8.572 0.204 -4.891 1.00 0.00 O ATOM 389 OP2 DG B 10 -6.934 -1.716 -5.294 1.00 0.00 O ATOM 390 O5' DG B 10 -6.083 0.631 -5.260 1.00 0.00 O ATOM 391 C5' DG B 10 -6.457 1.697 -6.127 1.00 0.00 C ATOM 392 C4' DG B 10 -5.381 2.783 -6.053 1.00 0.00 C ATOM 393 O4' DG B 10 -4.492 2.442 -5.003 1.00 0.00 O ATOM 394 C3' DG B 10 -4.535 2.926 -7.317 1.00 0.00 C ATOM 395 O3' DG B 10 -4.279 4.323 -7.503 1.00 0.00 O ATOM 396 C2' DG B 10 -3.304 2.092 -6.981 1.00 0.00 C ATOM 397 C1' DG B 10 -3.174 2.210 -5.459 1.00 0.00 C ATOM 398 N9 DG B 10 -2.621 0.980 -4.848 1.00 0.00 N ATOM 399 C8 DG B 10 -3.028 -0.301 -4.982 1.00 0.00 C ATOM 400 N7 DG B 10 -2.213 -1.203 -4.403 1.00 0.00 N ATOM 401 C5 DG B 10 -1.193 -0.454 -3.845 1.00 0.00 C ATOM 402 C6 DG B 10 -0.003 -0.808 -3.126 1.00 0.00 C ATOM 403 O6 DG B 10 0.415 -1.919 -2.833 1.00 0.00 O ATOM 404 N1 DG B 10 0.759 0.289 -2.741 1.00 0.00 N ATOM 405 C2 DG B 10 0.441 1.544 -3.010 1.00 0.00 C ATOM 406 N2 DG B 10 1.278 2.510 -2.623 1.00 0.00 N ATOM 407 N3 DG B 10 -0.645 1.906 -3.679 1.00 0.00 N ATOM 408 C4 DG B 10 -1.453 0.913 -4.098 1.00 0.00 C ATOM 0 H5' DG B 10 -7.425 2.102 -5.833 1.00 0.00 H new ATOM 0 H5'' DG B 10 -6.560 1.335 -7.150 1.00 0.00 H new ATOM 0 H4' DG B 10 -5.907 3.726 -5.904 1.00 0.00 H new ATOM 0 H3' DG B 10 -4.976 2.585 -8.253 1.00 0.00 H new ATOM 0 H2' DG B 10 -3.429 1.054 -7.291 1.00 0.00 H new ATOM 0 H2'' DG B 10 -2.416 2.471 -7.487 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.484 3.007 -5.182 1.00 0.00 H new ATOM 0 H8 DG B 10 -3.930 -0.578 -5.508 1.00 0.00 H new ATOM 0 H1 DG B 10 1.617 0.115 -2.218 1.00 0.00 H new ATOM 0 H21 DG B 10 1.056 3.486 -2.819 1.00 0.00 H new ATOM 0 H22 DG B 10 2.140 2.272 -2.132 1.00 0.00 H new ATOM 420 P DG B 11 -2.932 4.872 -8.079 1.00 0.00 P ATOM 421 OP1 DG B 11 -3.108 6.392 -8.334 1.00 0.00 O ATOM 422 OP2 DG B 11 -2.623 4.124 -9.401 1.00 0.00 O ATOM 423 O5' DG B 11 -1.739 4.628 -7.100 1.00 0.00 O ATOM 424 C5' DG B 11 -1.379 5.586 -6.109 1.00 0.00 C ATOM 425 C4' DG B 11 0.124 5.494 -5.901 1.00 0.00 C ATOM 426 O4' DG B 11 0.422 4.207 -5.387 1.00 0.00 O ATOM 427 C3' DG B 11 0.885 5.618 -7.224 1.00 0.00 C ATOM 428 O3' DG B 11 1.930 6.569 -7.054 1.00 0.00 O ATOM 429 C2' DG B 11 1.425 4.212 -7.453 1.00 0.00 C ATOM 430 C1' DG B 11 1.542 3.654 -6.043 1.00 0.00 C ATOM 431 N9 DG B 11 1.487 2.179 -6.006 1.00 0.00 N ATOM 432 C8 DG B 11 0.527 1.347 -6.456 1.00 0.00 C ATOM 433 N7 DG B 11 0.786 0.044 -6.232 1.00 0.00 N ATOM 434 C5 DG B 11 2.010 0.022 -5.587 1.00 0.00 C ATOM 435 C6 DG B 11 2.820 -1.043 -5.066 1.00 0.00 C ATOM 436 O6 DG B 11 2.591 -2.247 -5.064 1.00 0.00 O ATOM 437 N1 DG B 11 3.988 -0.585 -4.474 1.00 0.00 N ATOM 438 C2 DG B 11 4.342 0.693 -4.380 1.00 0.00 C ATOM 439 N2 DG B 11 5.491 1.027 -3.773 1.00 0.00 N ATOM 440 N3 DG B 11 3.612 1.695 -4.848 1.00 0.00 N ATOM 441 C4 DG B 11 2.456 1.358 -5.446 1.00 0.00 C ATOM 0 H5' DG B 11 -1.907 5.388 -5.176 1.00 0.00 H new ATOM 0 H5'' DG B 11 -1.660 6.590 -6.428 1.00 0.00 H new ATOM 0 H4' DG B 11 0.420 6.300 -5.230 1.00 0.00 H new ATOM 0 H3' DG B 11 0.285 5.958 -8.068 1.00 0.00 H new ATOM 0 H2' DG B 11 0.750 3.616 -8.068 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.389 4.228 -7.961 1.00 0.00 H new ATOM 0 H1' DG B 11 2.497 3.907 -5.583 1.00 0.00 H new ATOM 0 H8 DG B 11 -0.368 1.693 -6.951 1.00 0.00 H new ATOM 0 H1 DG B 11 4.622 -1.281 -4.082 1.00 0.00 H new ATOM 0 H21 DG B 11 5.763 2.007 -3.701 1.00 0.00 H new ATOM 0 H22 DG B 11 6.092 0.301 -3.384 1.00 0.00 H new ATOM 453 P DT B 12 2.927 6.854 -8.224 1.00 0.00 P ATOM 454 OP1 DT B 12 3.564 8.247 -7.991 1.00 0.00 O ATOM 455 OP2 DT B 12 2.177 6.793 -9.579 1.00 0.00 O ATOM 456 O5' DT B 12 4.062 5.786 -8.235 1.00 0.00 O ATOM 457 C5' DT B 12 4.786 5.582 -7.027 1.00 0.00 C ATOM 458 C4' DT B 12 6.198 5.049 -7.292 1.00 0.00 C ATOM 459 O4' DT B 12 6.155 3.671 -6.984 1.00 0.00 O ATOM 460 C3' DT B 12 6.721 5.157 -8.743 1.00 0.00 C ATOM 461 O3' DT B 12 7.988 5.778 -8.826 1.00 0.00 O ATOM 462 C2' DT B 12 6.772 3.717 -9.242 1.00 0.00 C ATOM 463 C1' DT B 12 6.781 2.873 -7.962 1.00 0.00 C ATOM 464 N1 DT B 12 5.984 1.625 -8.046 1.00 0.00 N ATOM 465 C2 DT B 12 6.579 0.396 -7.795 1.00 0.00 C ATOM 466 O2 DT B 12 7.764 0.324 -7.500 1.00 0.00 O ATOM 467 N3 DT B 12 5.803 -0.694 -7.898 1.00 0.00 N ATOM 468 C4 DT B 12 4.506 -0.710 -8.224 1.00 0.00 C ATOM 469 O4 DT B 12 3.888 -1.764 -8.272 1.00 0.00 O ATOM 470 C5 DT B 12 3.901 0.597 -8.493 1.00 0.00 C ATOM 471 C7 DT B 12 2.466 0.671 -8.927 1.00 0.00 C ATOM 472 C6 DT B 12 4.697 1.724 -8.376 1.00 0.00 C ATOM 0 H5' DT B 12 4.245 4.879 -6.394 1.00 0.00 H new ATOM 0 H5'' DT B 12 4.849 6.522 -6.478 1.00 0.00 H new ATOM 0 H4' DT B 12 6.871 5.661 -6.691 1.00 0.00 H new ATOM 0 H3' DT B 12 6.072 5.788 -9.350 1.00 0.00 H new ATOM 0 H2' DT B 12 5.911 3.482 -9.867 1.00 0.00 H new ATOM 0 H2'' DT B 12 7.662 3.536 -9.844 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.272 5.819 -9.763 1.00 0.00 H new ATOM 0 H1' DT B 12 7.812 2.585 -7.756 1.00 0.00 H new ATOM 0 H3 DT B 12 6.244 -1.595 -7.710 1.00 0.00 H new ATOM 0 H71 DT B 12 2.030 1.609 -8.583 1.00 0.00 H new ATOM 0 H72 DT B 12 2.412 0.623 -10.015 1.00 0.00 H new ATOM 0 H73 DT B 12 1.913 -0.165 -8.499 1.00 0.00 H new ATOM 0 H6 DT B 12 4.268 2.699 -8.555 1.00 0.00 H new TER 486 DT B 12