USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 185 hydrogens (13 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 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00137) USER MOD Set 1.2: A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.0778) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.118 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= -0.0356 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.00388) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 11.082 -2.475 10.385 1.00 0.00 O ATOM 2 C5' DC A 1 10.992 -3.452 11.425 1.00 0.00 C ATOM 3 C4' DC A 1 9.566 -3.606 11.900 1.00 0.00 C ATOM 4 O4' DC A 1 8.943 -2.298 11.930 1.00 0.00 O ATOM 5 C3' DC A 1 8.680 -4.482 11.011 1.00 0.00 C ATOM 6 O3' DC A 1 7.816 -5.292 11.816 1.00 0.00 O ATOM 7 C2' DC A 1 7.875 -3.479 10.205 1.00 0.00 C ATOM 8 C1' DC A 1 7.760 -2.298 11.150 1.00 0.00 C ATOM 9 N1 DC A 1 7.658 -0.986 10.487 1.00 0.00 N ATOM 10 C2 DC A 1 6.559 -0.169 10.771 1.00 0.00 C ATOM 11 O2 DC A 1 5.701 -0.570 11.570 1.00 0.00 O ATOM 12 N3 DC A 1 6.459 1.039 10.169 1.00 0.00 N ATOM 13 C4 DC A 1 7.404 1.437 9.315 1.00 0.00 C ATOM 14 N4 DC A 1 7.266 2.635 8.747 1.00 0.00 N ATOM 15 C5 DC A 1 8.533 0.624 9.004 1.00 0.00 C ATOM 16 C6 DC A 1 8.618 -0.568 9.608 1.00 0.00 C ATOM 0 H5' DC A 1 11.628 -3.159 12.260 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.364 -4.410 11.062 1.00 0.00 H new ATOM 0 H4' DC A 1 9.638 -4.088 12.875 1.00 0.00 H new ATOM 0 H3' DC A 1 9.249 -5.167 10.383 1.00 0.00 H new ATOM 0 H2' DC A 1 8.380 -3.207 9.278 1.00 0.00 H new ATOM 0 H2'' DC A 1 6.897 -3.874 9.931 1.00 0.00 H new ATOM 0 HO5' DC A 1 12.014 -2.391 10.095 1.00 0.00 H new ATOM 0 H1' DC A 1 6.840 -2.420 11.721 1.00 0.00 H new ATOM 0 H41 DC A 1 7.969 2.972 8.089 1.00 0.00 H new ATOM 0 H42 DC A 1 6.457 3.215 8.970 1.00 0.00 H new ATOM 0 H5 DC A 1 9.290 0.956 8.309 1.00 0.00 H new ATOM 0 H6 DC A 1 9.460 -1.211 9.397 1.00 0.00 H new ATOM 29 P DA A 2 6.917 -6.432 11.124 1.00 0.00 P ATOM 30 OP1 DA A 2 6.590 -7.431 12.173 1.00 0.00 O ATOM 31 OP2 DA A 2 7.589 -6.874 9.875 1.00 0.00 O ATOM 32 O5' DA A 2 5.572 -5.674 10.725 1.00 0.00 O ATOM 33 C5' DA A 2 4.587 -5.358 11.712 1.00 0.00 C ATOM 34 C4' DA A 2 3.278 -4.997 11.049 1.00 0.00 C ATOM 35 O4' DA A 2 3.357 -3.629 10.584 1.00 0.00 O ATOM 36 C3' DA A 2 2.902 -5.848 9.829 1.00 0.00 C ATOM 37 O3' DA A 2 1.632 -6.472 10.057 1.00 0.00 O ATOM 38 C2' DA A 2 2.840 -4.858 8.677 1.00 0.00 C ATOM 39 C1' DA A 2 2.673 -3.519 9.357 1.00 0.00 C ATOM 40 N9 DA A 2 3.247 -2.398 8.620 1.00 0.00 N ATOM 41 C8 DA A 2 4.366 -2.423 7.833 1.00 0.00 C ATOM 42 N7 DA A 2 4.671 -1.262 7.308 1.00 0.00 N ATOM 43 C5 DA A 2 3.674 -0.416 7.773 1.00 0.00 C ATOM 44 C6 DA A 2 3.425 0.950 7.573 1.00 0.00 C ATOM 45 N6 DA A 2 4.202 1.739 6.831 1.00 0.00 N ATOM 46 N1 DA A 2 2.341 1.486 8.173 1.00 0.00 N ATOM 47 C2 DA A 2 1.567 0.693 8.925 1.00 0.00 C ATOM 48 N3 DA A 2 1.701 -0.604 9.193 1.00 0.00 N ATOM 49 C4 DA A 2 2.786 -1.105 8.578 1.00 0.00 C ATOM 0 H5' DA A 2 4.932 -4.527 12.327 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.443 -6.209 12.378 1.00 0.00 H new ATOM 0 H4' DA A 2 2.518 -5.168 11.811 1.00 0.00 H new ATOM 0 H3' DA A 2 3.611 -6.650 9.625 1.00 0.00 H new ATOM 0 H2' DA A 2 3.747 -4.889 8.074 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.006 -5.074 8.009 1.00 0.00 H new ATOM 0 H1' DA A 2 1.607 -3.308 9.448 1.00 0.00 H new ATOM 0 H8 DA A 2 4.945 -3.318 7.660 1.00 0.00 H new ATOM 0 H61 DA A 2 3.970 2.726 6.722 1.00 0.00 H new ATOM 0 H62 DA A 2 5.028 1.355 6.372 1.00 0.00 H new ATOM 0 H2 DA A 2 0.713 1.174 9.378 1.00 0.00 H new ATOM 61 P DG A 3 0.861 -7.200 8.846 1.00 0.00 P ATOM 62 OP1 DG A 3 0.266 -8.444 9.398 1.00 0.00 O ATOM 63 OP2 DG A 3 1.758 -7.281 7.665 1.00 0.00 O ATOM 64 O5' DG A 3 -0.332 -6.200 8.510 1.00 0.00 O ATOM 65 C5' DG A 3 -1.060 -5.556 9.557 1.00 0.00 C ATOM 66 C4' DG A 3 -1.916 -4.444 8.996 1.00 0.00 C ATOM 67 O4' DG A 3 -1.051 -3.379 8.531 1.00 0.00 O ATOM 68 C3' DG A 3 -2.795 -4.844 7.806 1.00 0.00 C ATOM 69 O3' DG A 3 -4.154 -4.476 8.060 1.00 0.00 O ATOM 70 C2' DG A 3 -2.227 -4.063 6.636 1.00 0.00 C ATOM 71 C1' DG A 3 -1.490 -2.912 7.272 1.00 0.00 C ATOM 72 N9 DG A 3 -0.321 -2.487 6.514 1.00 0.00 N ATOM 73 C8 DG A 3 0.660 -3.302 6.014 1.00 0.00 C ATOM 74 N7 DG A 3 1.604 -2.651 5.388 1.00 0.00 N ATOM 75 C5 DG A 3 1.210 -1.322 5.469 1.00 0.00 C ATOM 76 C6 DG A 3 1.828 -0.147 4.968 1.00 0.00 C ATOM 77 O6 DG A 3 2.891 -0.037 4.341 1.00 0.00 O ATOM 78 N1 DG A 3 1.082 0.986 5.266 1.00 0.00 N ATOM 79 C2 DG A 3 -0.103 0.994 5.957 1.00 0.00 C ATOM 80 N2 DG A 3 -0.676 2.189 6.128 1.00 0.00 N ATOM 81 N3 DG A 3 -0.683 -0.089 6.440 1.00 0.00 N ATOM 82 C4 DG A 3 0.020 -1.205 6.158 1.00 0.00 C ATOM 0 H5' DG A 3 -0.367 -5.153 10.296 1.00 0.00 H new ATOM 0 H5'' DG A 3 -1.688 -6.283 10.072 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.578 -4.150 9.811 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.793 -5.917 7.616 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.558 -4.679 6.035 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.017 -3.710 5.973 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.159 -2.053 7.327 1.00 0.00 H new ATOM 0 H8 DG A 3 0.654 -4.376 6.126 1.00 0.00 H new ATOM 0 H1 DG A 3 1.444 1.884 4.945 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.559 2.264 6.633 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.230 3.026 5.753 1.00 0.00 H new ATOM 94 P DT A 4 -5.321 -5.008 7.091 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.434 -5.486 7.952 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.729 -5.923 6.082 1.00 0.00 O ATOM 97 O5' DT A 4 -5.805 -3.689 6.341 1.00 0.00 O ATOM 98 C5' DT A 4 -6.003 -2.475 7.063 1.00 0.00 C ATOM 99 C4' DT A 4 -5.712 -1.289 6.175 1.00 0.00 C ATOM 100 O4' DT A 4 -4.343 -1.381 5.712 1.00 0.00 O ATOM 101 C3' DT A 4 -6.587 -1.182 4.921 1.00 0.00 C ATOM 102 O3' DT A 4 -7.320 0.048 4.939 1.00 0.00 O ATOM 103 C2' DT A 4 -5.602 -1.209 3.761 1.00 0.00 C ATOM 104 C1' DT A 4 -4.271 -0.877 4.398 1.00 0.00 C ATOM 105 N1 DT A 4 -3.102 -1.487 3.732 1.00 0.00 N ATOM 106 C2 DT A 4 -2.067 -0.659 3.364 1.00 0.00 C ATOM 107 O2 DT A 4 -2.079 0.541 3.585 1.00 0.00 O ATOM 108 N3 DT A 4 -1.014 -1.276 2.725 1.00 0.00 N ATOM 109 C4 DT A 4 -0.927 -2.631 2.437 1.00 0.00 C ATOM 110 O4 DT A 4 0.066 -3.068 1.859 1.00 0.00 O ATOM 111 C5 DT A 4 -2.049 -3.441 2.856 1.00 0.00 C ATOM 112 C7 DT A 4 -2.060 -4.895 2.500 1.00 0.00 C ATOM 113 C6 DT A 4 -3.066 -2.841 3.485 1.00 0.00 C ATOM 0 H5' DT A 4 -5.352 -2.453 7.937 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.029 -2.423 7.428 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.916 -0.414 6.792 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.321 -1.984 4.850 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.580 -2.187 3.279 1.00 0.00 H new ATOM 0 H2'' DT A 4 -5.869 -0.482 2.994 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.119 0.200 4.332 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.522 -5.045 1.564 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.577 -5.467 3.292 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.090 -5.233 2.384 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.897 -3.447 3.814 1.00 0.00 H new ATOM 125 P DT A 5 -8.471 0.310 3.847 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.433 1.276 4.439 1.00 0.00 O ATOM 127 OP2 DT A 5 -8.964 -1.000 3.347 1.00 0.00 O ATOM 128 O5' DT A 5 -7.705 1.041 2.657 1.00 0.00 O ATOM 129 C5' DT A 5 -6.790 2.106 2.921 1.00 0.00 C ATOM 130 C4' DT A 5 -6.162 2.589 1.635 1.00 0.00 C ATOM 131 O4' DT A 5 -5.105 1.678 1.258 1.00 0.00 O ATOM 132 C3' DT A 5 -7.114 2.664 0.436 1.00 0.00 C ATOM 133 O3' DT A 5 -7.092 3.983 -0.118 1.00 0.00 O ATOM 134 C2' DT A 5 -6.558 1.661 -0.561 1.00 0.00 C ATOM 135 C1' DT A 5 -5.117 1.503 -0.143 1.00 0.00 C ATOM 136 N1 DT A 5 -4.532 0.185 -0.439 1.00 0.00 N ATOM 137 C2 DT A 5 -3.387 0.141 -1.198 1.00 0.00 C ATOM 138 O2 DT A 5 -2.852 1.137 -1.653 1.00 0.00 O ATOM 139 N3 DT A 5 -2.890 -1.115 -1.410 1.00 0.00 N ATOM 140 C4 DT A 5 -3.413 -2.306 -0.953 1.00 0.00 C ATOM 141 O4 DT A 5 -2.838 -3.360 -1.206 1.00 0.00 O ATOM 142 C5 DT A 5 -4.625 -2.189 -0.172 1.00 0.00 C ATOM 143 C7 DT A 5 -5.270 -3.433 0.356 1.00 0.00 C ATOM 144 C6 DT A 5 -5.123 -0.964 0.045 1.00 0.00 C ATOM 0 H5' DT A 5 -6.014 1.766 3.607 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.311 2.929 3.411 1.00 0.00 H new ATOM 0 H4' DT A 5 -5.819 3.601 1.850 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.147 2.445 0.705 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.094 0.713 -0.517 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.640 2.026 -1.585 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.521 2.226 -0.700 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.038 -1.178 -1.968 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.067 -4.263 -0.320 1.00 0.00 H new ATOM 0 H72 DT A 5 -4.867 -3.661 1.343 1.00 0.00 H new ATOM 0 H73 DT A 5 -6.347 -3.281 0.431 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.029 -0.872 0.626 1.00 0.00 H new ATOM 157 P DC A 6 -8.224 4.428 -1.169 1.00 0.00 P ATOM 158 OP1 DC A 6 -8.637 5.805 -0.801 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.248 3.355 -1.258 1.00 0.00 O ATOM 160 O5' DC A 6 -7.453 4.499 -2.561 1.00 0.00 O ATOM 161 C5' DC A 6 -6.451 5.489 -2.795 1.00 0.00 C ATOM 162 C4' DC A 6 -5.546 5.060 -3.927 1.00 0.00 C ATOM 163 O4' DC A 6 -5.082 3.718 -3.665 1.00 0.00 O ATOM 164 C3' DC A 6 -6.210 5.026 -5.309 1.00 0.00 C ATOM 165 O3' DC A 6 -5.519 5.908 -6.201 1.00 0.00 O ATOM 166 C2' DC A 6 -6.072 3.582 -5.770 1.00 0.00 C ATOM 167 C1' DC A 6 -4.983 3.017 -4.885 1.00 0.00 C ATOM 168 N1 DC A 6 -5.108 1.582 -4.591 1.00 0.00 N ATOM 169 C2 DC A 6 -4.023 0.746 -4.853 1.00 0.00 C ATOM 170 O2 DC A 6 -2.998 1.232 -5.349 1.00 0.00 O ATOM 171 N3 DC A 6 -4.116 -0.571 -4.565 1.00 0.00 N ATOM 172 C4 DC A 6 -5.240 -1.059 -4.035 1.00 0.00 C ATOM 173 N4 DC A 6 -5.280 -2.363 -3.754 1.00 0.00 N ATOM 174 C5 DC A 6 -6.370 -0.230 -3.769 1.00 0.00 C ATOM 175 C6 DC A 6 -6.261 1.072 -4.063 1.00 0.00 C ATOM 0 H5' DC A 6 -5.864 5.644 -1.890 1.00 0.00 H new ATOM 0 H5'' DC A 6 -6.921 6.442 -3.037 1.00 0.00 H new ATOM 0 H4' DC A 6 -4.752 5.806 -3.960 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.251 5.348 -5.284 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.007 3.034 -5.651 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.800 3.524 -6.824 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.033 3.132 -5.406 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.122 -2.772 -3.348 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.469 -2.951 -3.945 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.277 -0.636 -3.347 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.098 1.730 -3.880 1.00 0.00 H new ATOM 187 P DC A 7 -5.880 5.908 -7.769 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.481 7.231 -8.312 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.280 5.441 -7.934 1.00 0.00 O ATOM 190 O5' DC A 7 -4.910 4.805 -8.389 1.00 0.00 O ATOM 191 C5' DC A 7 -3.493 4.990 -8.393 1.00 0.00 C ATOM 192 C4' DC A 7 -2.825 3.926 -9.232 1.00 0.00 C ATOM 193 O4' DC A 7 -2.971 2.652 -8.568 1.00 0.00 O ATOM 194 C3' DC A 7 -3.400 3.746 -10.642 1.00 0.00 C ATOM 195 O3' DC A 7 -2.366 3.933 -11.613 1.00 0.00 O ATOM 196 C2' DC A 7 -3.904 2.311 -10.674 1.00 0.00 C ATOM 197 C1' DC A 7 -3.157 1.646 -9.538 1.00 0.00 C ATOM 198 N1 DC A 7 -3.855 0.524 -8.891 1.00 0.00 N ATOM 199 C2 DC A 7 -3.135 -0.636 -8.601 1.00 0.00 C ATOM 200 O2 DC A 7 -1.936 -0.691 -8.912 1.00 0.00 O ATOM 201 N3 DC A 7 -3.758 -1.668 -7.990 1.00 0.00 N ATOM 202 C4 DC A 7 -5.051 -1.571 -7.672 1.00 0.00 C ATOM 203 N4 DC A 7 -5.622 -2.611 -7.064 1.00 0.00 N ATOM 204 C5 DC A 7 -5.814 -0.403 -7.963 1.00 0.00 C ATOM 205 C6 DC A 7 -5.181 0.611 -8.569 1.00 0.00 C ATOM 0 H5' DC A 7 -3.112 4.950 -7.373 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.250 5.977 -8.786 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.792 4.258 -9.340 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.190 4.462 -10.869 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.983 2.262 -10.528 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.690 1.832 -11.629 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.243 1.219 -9.950 1.00 0.00 H new ATOM 0 H41 DC A 7 -6.608 -2.573 -6.806 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.073 -3.445 -6.857 1.00 0.00 H new ATOM 0 H5 DC A 7 -6.861 -0.338 -7.705 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.727 1.512 -8.807 1.00 0.00 H new ATOM 217 P DA A 8 -2.748 4.268 -13.138 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.645 5.741 -13.302 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.020 3.581 -13.475 1.00 0.00 O ATOM 220 O5' DA A 8 -1.575 3.596 -13.983 1.00 0.00 O ATOM 221 C5' DA A 8 -0.207 3.940 -13.747 1.00 0.00 C ATOM 222 C4' DA A 8 0.694 2.767 -14.056 1.00 0.00 C ATOM 223 O4' DA A 8 0.170 1.588 -13.401 1.00 0.00 O ATOM 224 C3' DA A 8 0.817 2.414 -15.538 1.00 0.00 C ATOM 225 O3' DA A 8 2.154 2.022 -15.857 1.00 0.00 O ATOM 226 C2' DA A 8 -0.134 1.247 -15.723 1.00 0.00 C ATOM 227 C1' DA A 8 -0.223 0.607 -14.348 1.00 0.00 C ATOM 228 N9 DA A 8 -1.574 0.173 -13.999 1.00 0.00 N ATOM 229 C8 DA A 8 -2.726 0.900 -14.144 1.00 0.00 C ATOM 230 N7 DA A 8 -3.805 0.266 -13.755 1.00 0.00 N ATOM 231 C5 DA A 8 -3.329 -0.965 -13.323 1.00 0.00 C ATOM 232 C6 DA A 8 -3.974 -2.094 -12.793 1.00 0.00 C ATOM 233 N6 DA A 8 -5.293 -2.171 -12.601 1.00 0.00 N ATOM 234 N1 DA A 8 -3.210 -3.157 -12.461 1.00 0.00 N ATOM 235 C2 DA A 8 -1.887 -3.080 -12.657 1.00 0.00 C ATOM 236 N3 DA A 8 -1.165 -2.075 -13.149 1.00 0.00 N ATOM 237 C4 DA A 8 -1.955 -1.035 -13.467 1.00 0.00 C ATOM 0 H5' DA A 8 -0.076 4.243 -12.708 1.00 0.00 H new ATOM 0 H5'' DA A 8 0.072 4.793 -14.366 1.00 0.00 H new ATOM 0 H4' DA A 8 1.680 3.070 -13.705 1.00 0.00 H new ATOM 0 H3' DA A 8 0.580 3.258 -16.186 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.112 1.583 -16.069 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.242 0.543 -16.465 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.211 1.799 -16.809 1.00 0.00 H new ATOM 0 H1' DA A 8 0.415 -0.277 -14.349 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.743 1.904 -14.542 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.703 -3.020 -12.212 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.891 -1.381 -12.844 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.326 -3.959 -12.376 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.609 -10.884 -9.694 1.00 0.00 O ATOM 252 C5' DT B 9 -4.572 -11.599 -10.376 1.00 0.00 C ATOM 253 C4' DT B 9 -3.246 -10.884 -10.255 1.00 0.00 C ATOM 254 O4' DT B 9 -3.301 -9.664 -11.035 1.00 0.00 O ATOM 255 C3' DT B 9 -2.871 -10.451 -8.838 1.00 0.00 C ATOM 256 O3' DT B 9 -1.450 -10.509 -8.658 1.00 0.00 O ATOM 257 C2' DT B 9 -3.360 -9.017 -8.775 1.00 0.00 C ATOM 258 C1' DT B 9 -3.113 -8.535 -10.193 1.00 0.00 C ATOM 259 N1 DT B 9 -4.026 -7.470 -10.650 1.00 0.00 N ATOM 260 C2 DT B 9 -3.477 -6.288 -11.089 1.00 0.00 C ATOM 261 O2 DT B 9 -2.275 -6.084 -11.123 1.00 0.00 O ATOM 262 N3 DT B 9 -4.387 -5.348 -11.489 1.00 0.00 N ATOM 263 C4 DT B 9 -5.760 -5.467 -11.495 1.00 0.00 C ATOM 264 O4 DT B 9 -6.451 -4.528 -11.879 1.00 0.00 O ATOM 265 C5 DT B 9 -6.271 -6.734 -11.025 1.00 0.00 C ATOM 266 C7 DT B 9 -7.752 -6.951 -10.991 1.00 0.00 C ATOM 267 C6 DT B 9 -5.392 -7.666 -10.630 1.00 0.00 C ATOM 0 H5' DT B 9 -4.834 -11.710 -11.428 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.486 -12.604 -9.962 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.504 -11.606 -10.597 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.303 -11.085 -8.063 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.413 -8.957 -8.502 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.807 -8.429 -8.042 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.456 -11.367 -9.789 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.111 -8.107 -10.228 1.00 0.00 H new ATOM 0 H3 DT B 9 -4.007 -4.461 -11.819 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.968 -8.009 -11.142 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.144 -6.635 -10.024 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.223 -6.367 -11.782 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.771 -8.615 -10.280 1.00 0.00 H new ATOM 281 P DG B 10 -0.843 -10.850 -7.208 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.623 -12.318 -7.157 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.693 -10.200 -6.179 1.00 0.00 O ATOM 284 O5' DG B 10 0.582 -10.134 -7.205 1.00 0.00 O ATOM 285 C5' DG B 10 1.608 -10.529 -8.119 1.00 0.00 C ATOM 286 C4' DG B 10 2.497 -9.353 -8.452 1.00 0.00 C ATOM 287 O4' DG B 10 1.668 -8.201 -8.742 1.00 0.00 O ATOM 288 C3' DG B 10 3.441 -8.910 -7.336 1.00 0.00 C ATOM 289 O3' DG B 10 4.662 -8.398 -7.890 1.00 0.00 O ATOM 290 C2' DG B 10 2.664 -7.815 -6.633 1.00 0.00 C ATOM 291 C1' DG B 10 1.833 -7.201 -7.745 1.00 0.00 C ATOM 292 N9 DG B 10 0.505 -6.775 -7.320 1.00 0.00 N ATOM 293 C8 DG B 10 -0.372 -7.479 -6.536 1.00 0.00 C ATOM 294 N7 DG B 10 -1.496 -6.851 -6.329 1.00 0.00 N ATOM 295 C5 DG B 10 -1.348 -5.653 -7.013 1.00 0.00 C ATOM 296 C6 DG B 10 -2.238 -4.556 -7.154 1.00 0.00 C ATOM 297 O6 DG B 10 -3.377 -4.422 -6.692 1.00 0.00 O ATOM 298 N1 DG B 10 -1.681 -3.543 -7.928 1.00 0.00 N ATOM 299 C2 DG B 10 -0.431 -3.581 -8.496 1.00 0.00 C ATOM 300 N2 DG B 10 -0.070 -2.505 -9.204 1.00 0.00 N ATOM 301 N3 DG B 10 0.404 -4.597 -8.377 1.00 0.00 N ATOM 302 C4 DG B 10 -0.115 -5.590 -7.627 1.00 0.00 C ATOM 0 H5' DG B 10 1.160 -10.924 -9.031 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.203 -11.331 -7.683 1.00 0.00 H new ATOM 0 H4' DG B 10 3.103 -9.696 -9.291 1.00 0.00 H new ATOM 0 H3' DG B 10 3.728 -9.720 -6.666 1.00 0.00 H new ATOM 0 H2' DG B 10 2.036 -8.216 -5.837 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.328 -7.081 -6.176 1.00 0.00 H new ATOM 0 H1' DG B 10 2.356 -6.312 -8.097 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.154 -8.456 -6.130 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.244 -2.708 -8.086 1.00 0.00 H new ATOM 0 H21 DG B 10 0.846 -2.472 -9.651 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.711 -1.717 -9.297 1.00 0.00 H new ATOM 314 P DG B 11 5.674 -7.555 -6.962 1.00 0.00 P ATOM 315 OP1 DG B 11 6.919 -7.353 -7.745 1.00 0.00 O ATOM 316 OP2 DG B 11 5.744 -8.209 -5.630 1.00 0.00 O ATOM 317 O5' DG B 11 4.959 -6.140 -6.787 1.00 0.00 O ATOM 318 C5' DG B 11 5.019 -5.151 -7.819 1.00 0.00 C ATOM 319 C4' DG B 11 4.869 -3.766 -7.232 1.00 0.00 C ATOM 320 O4' DG B 11 3.465 -3.503 -6.983 1.00 0.00 O ATOM 321 C3' DG B 11 5.591 -3.534 -5.899 1.00 0.00 C ATOM 322 O3' DG B 11 6.336 -2.308 -5.968 1.00 0.00 O ATOM 323 C2' DG B 11 4.464 -3.446 -4.886 1.00 0.00 C ATOM 324 C1' DG B 11 3.326 -2.901 -5.712 1.00 0.00 C ATOM 325 N9 DG B 11 2.000 -3.224 -5.198 1.00 0.00 N ATOM 326 C8 DG B 11 1.641 -4.358 -4.517 1.00 0.00 C ATOM 327 N7 DG B 11 0.380 -4.378 -4.179 1.00 0.00 N ATOM 328 C5 DG B 11 -0.121 -3.177 -4.663 1.00 0.00 C ATOM 329 C6 DG B 11 -1.429 -2.631 -4.596 1.00 0.00 C ATOM 330 O6 DG B 11 -2.444 -3.116 -4.081 1.00 0.00 O ATOM 331 N1 DG B 11 -1.496 -1.386 -5.212 1.00 0.00 N ATOM 332 C2 DG B 11 -0.442 -0.748 -5.815 1.00 0.00 C ATOM 333 N2 DG B 11 -0.703 0.450 -6.345 1.00 0.00 N ATOM 334 N3 DG B 11 0.779 -1.245 -5.889 1.00 0.00 N ATOM 335 C4 DG B 11 0.868 -2.454 -5.296 1.00 0.00 C ATOM 0 H5' DG B 11 4.230 -5.330 -8.550 1.00 0.00 H new ATOM 0 H5'' DG B 11 5.968 -5.227 -8.349 1.00 0.00 H new ATOM 0 H4' DG B 11 5.320 -3.105 -7.972 1.00 0.00 H new ATOM 0 H3' DG B 11 6.305 -4.316 -5.642 1.00 0.00 H new ATOM 0 H2' DG B 11 4.225 -4.420 -4.459 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.715 -2.786 -4.055 1.00 0.00 H new ATOM 0 H1' DG B 11 3.387 -1.813 -5.713 1.00 0.00 H new ATOM 0 H8 DG B 11 2.332 -5.155 -4.283 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.398 -0.911 -5.216 1.00 0.00 H new ATOM 0 H21 DG B 11 0.039 0.976 -6.808 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.644 0.839 -6.287 1.00 0.00 H new ATOM 347 P DA B 12 7.110 -1.754 -4.669 1.00 0.00 P ATOM 348 OP1 DA B 12 8.528 -1.557 -5.066 1.00 0.00 O ATOM 349 OP2 DA B 12 6.794 -2.607 -3.495 1.00 0.00 O ATOM 350 O5' DA B 12 6.470 -0.313 -4.432 1.00 0.00 O ATOM 351 C5' DA B 12 6.293 0.599 -5.520 1.00 0.00 C ATOM 352 C4' DA B 12 5.669 1.888 -5.034 1.00 0.00 C ATOM 353 O4' DA B 12 4.296 1.631 -4.654 1.00 0.00 O ATOM 354 C3' DA B 12 6.331 2.511 -3.807 1.00 0.00 C ATOM 355 O3' DA B 12 6.249 3.940 -3.862 1.00 0.00 O ATOM 356 C2' DA B 12 5.509 1.971 -2.653 1.00 0.00 C ATOM 357 C1' DA B 12 4.122 1.791 -3.253 1.00 0.00 C ATOM 358 N9 DA B 12 3.398 0.622 -2.760 1.00 0.00 N ATOM 359 C8 DA B 12 3.937 -0.540 -2.271 1.00 0.00 C ATOM 360 N7 DA B 12 3.045 -1.429 -1.913 1.00 0.00 N ATOM 361 C5 DA B 12 1.832 -0.808 -2.178 1.00 0.00 C ATOM 362 C6 DA B 12 0.501 -1.226 -2.013 1.00 0.00 C ATOM 363 N6 DA B 12 0.154 -2.417 -1.523 1.00 0.00 N ATOM 364 N1 DA B 12 -0.477 -0.367 -2.375 1.00 0.00 N ATOM 365 C2 DA B 12 -0.128 0.830 -2.864 1.00 0.00 C ATOM 366 N3 DA B 12 1.087 1.337 -3.065 1.00 0.00 N ATOM 367 C4 DA B 12 2.034 0.457 -2.698 1.00 0.00 C ATOM 0 H5' DA B 12 5.659 0.146 -6.283 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.255 0.808 -5.988 1.00 0.00 H new ATOM 0 H4' DA B 12 5.783 2.583 -5.866 1.00 0.00 H new ATOM 0 H3' DA B 12 7.391 2.271 -3.724 1.00 0.00 H new ATOM 0 H2' DA B 12 5.910 1.028 -2.282 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.495 2.664 -1.812 1.00 0.00 H new ATOM 0 H1' DA B 12 3.531 2.663 -2.974 1.00 0.00 H new ATOM 0 H8 DA B 12 5.001 -0.707 -2.189 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.832 -2.662 -1.428 1.00 0.00 H new ATOM 0 H62 DA B 12 0.874 -3.083 -1.244 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.950 1.477 -3.134 1.00 0.00 H new HETATM 379 P EDI B 13 7.195 4.834 -2.916 1.00 0.00 P HETATM 380 OP1 EDI B 13 7.941 5.766 -3.800 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.944 3.937 -1.999 1.00 0.00 O HETATM 382 O5' EDI B 13 6.173 5.692 -2.044 1.00 0.00 O HETATM 383 C5' EDI B 13 5.553 6.865 -2.575 1.00 0.00 C HETATM 384 C4' EDI B 13 4.325 7.219 -1.768 1.00 0.00 C HETATM 385 O4' EDI B 13 3.557 6.013 -1.531 1.00 0.00 O HETATM 386 C3' EDI B 13 4.607 7.821 -0.391 1.00 0.00 C HETATM 387 O3' EDI B 13 3.647 8.843 -0.085 1.00 0.00 O HETATM 388 C2' EDI B 13 4.469 6.642 0.547 1.00 0.00 C HETATM 389 C1' EDI B 13 3.467 5.742 -0.141 1.00 0.00 C HETATM 390 N9 EDI B 13 3.747 4.328 0.065 1.00 0.00 N HETATM 391 C8 EDI B 13 4.987 3.747 0.088 1.00 0.00 C HETATM 392 N7 EDI B 13 4.949 2.461 0.303 1.00 0.00 N HETATM 393 C5 EDI B 13 3.596 2.178 0.431 1.00 0.00 C HETATM 394 C6 EDI B 13 2.933 0.948 0.676 1.00 0.00 C HETATM 395 O6 EDI B 13 3.431 -0.174 0.834 1.00 0.00 O HETATM 396 N1 EDI B 13 1.551 1.112 0.730 1.00 0.00 N HETATM 397 C2 EDI B 13 0.895 2.309 0.570 1.00 0.00 C HETATM 398 N3 EDI B 13 1.501 3.461 0.343 1.00 0.00 N HETATM 399 C4 EDI B 13 2.841 3.323 0.285 1.00 0.00 C HETATM 400 C11 EDI B 13 0.108 -0.430 2.316 1.00 0.00 C HETATM 401 C12 EDI B 13 0.733 -0.076 0.975 1.00 0.00 C ATOM 415 P DC B 14 3.655 9.558 1.360 1.00 0.00 P ATOM 416 OP1 DC B 14 3.820 11.012 1.116 1.00 0.00 O ATOM 417 OP2 DC B 14 4.602 8.859 2.267 1.00 0.00 O ATOM 418 O5' DC B 14 2.177 9.329 1.911 1.00 0.00 O ATOM 419 C5' DC B 14 1.199 8.652 1.121 1.00 0.00 C ATOM 420 C4' DC B 14 0.167 7.992 2.006 1.00 0.00 C ATOM 421 O4' DC B 14 0.532 6.601 2.136 1.00 0.00 O ATOM 422 C3' DC B 14 0.045 8.554 3.426 1.00 0.00 C ATOM 423 O3' DC B 14 -1.327 8.849 3.712 1.00 0.00 O ATOM 424 C2' DC B 14 0.542 7.442 4.337 1.00 0.00 C ATOM 425 C1' DC B 14 0.506 6.185 3.486 1.00 0.00 C ATOM 426 N1 DC B 14 1.634 5.258 3.683 1.00 0.00 N ATOM 427 C2 DC B 14 1.358 3.911 3.902 1.00 0.00 C ATOM 428 O2 DC B 14 0.176 3.543 3.960 1.00 0.00 O ATOM 429 N3 DC B 14 2.379 3.040 4.049 1.00 0.00 N ATOM 430 C4 DC B 14 3.638 3.472 3.991 1.00 0.00 C ATOM 431 N4 DC B 14 4.610 2.570 4.126 1.00 0.00 N ATOM 432 C5 DC B 14 3.953 4.846 3.787 1.00 0.00 C ATOM 433 C6 DC B 14 2.930 5.698 3.639 1.00 0.00 C ATOM 0 H5' DC B 14 1.684 7.902 0.496 1.00 0.00 H new ATOM 0 H5'' DC B 14 0.712 9.360 0.450 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.793 8.171 1.522 1.00 0.00 H new ATOM 0 H3' DC B 14 0.614 9.474 3.558 1.00 0.00 H new ATOM 0 H2' DC B 14 1.551 7.647 4.694 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.093 7.340 5.217 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.391 5.638 3.776 1.00 0.00 H new ATOM 0 H41 DC B 14 5.586 2.863 4.087 1.00 0.00 H new ATOM 0 H42 DC B 14 4.377 1.587 4.268 1.00 0.00 H new ATOM 0 H5 DC B 14 4.977 5.188 3.753 1.00 0.00 H new ATOM 0 H6 DC B 14 3.130 6.748 3.483 1.00 0.00 H new ATOM 445 P DT B 15 -1.696 9.873 4.895 1.00 0.00 P ATOM 446 OP1 DT B 15 -3.044 10.416 4.591 1.00 0.00 O ATOM 447 OP2 DT B 15 -0.557 10.805 5.094 1.00 0.00 O ATOM 448 O5' DT B 15 -1.813 8.946 6.185 1.00 0.00 O ATOM 449 C5' DT B 15 -3.042 8.296 6.515 1.00 0.00 C ATOM 450 C4' DT B 15 -2.828 7.314 7.643 1.00 0.00 C ATOM 451 O4' DT B 15 -1.741 6.430 7.283 1.00 0.00 O ATOM 452 C3' DT B 15 -2.444 7.945 8.987 1.00 0.00 C ATOM 453 O3' DT B 15 -3.406 7.590 9.987 1.00 0.00 O ATOM 454 C2' DT B 15 -1.083 7.349 9.316 1.00 0.00 C ATOM 455 C1' DT B 15 -1.017 6.110 8.447 1.00 0.00 C ATOM 456 N1 DT B 15 0.338 5.693 8.039 1.00 0.00 N ATOM 457 C2 DT B 15 0.620 4.347 8.042 1.00 0.00 C ATOM 458 O2 DT B 15 -0.191 3.498 8.371 1.00 0.00 O ATOM 459 N3 DT B 15 1.890 4.027 7.647 1.00 0.00 N ATOM 460 C4 DT B 15 2.888 4.898 7.267 1.00 0.00 C ATOM 461 O4 DT B 15 3.973 4.458 6.896 1.00 0.00 O ATOM 462 C5 DT B 15 2.532 6.299 7.302 1.00 0.00 C ATOM 463 C7 DT B 15 3.592 7.321 7.028 1.00 0.00 C ATOM 464 C6 DT B 15 1.284 6.626 7.669 1.00 0.00 C ATOM 0 H5' DT B 15 -3.433 7.776 5.640 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.787 9.037 6.805 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.786 6.812 7.776 1.00 0.00 H new ATOM 0 H3' DT B 15 -2.415 9.034 8.948 1.00 0.00 H new ATOM 0 H2' DT B 15 -0.275 8.044 9.086 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.999 7.101 10.374 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.412 5.276 9.027 1.00 0.00 H new ATOM 0 H3 DT B 15 2.124 3.034 7.632 1.00 0.00 H new ATOM 0 H71 DT B 15 4.560 6.936 7.348 1.00 0.00 H new ATOM 0 H72 DT B 15 3.622 7.537 5.960 1.00 0.00 H new ATOM 0 H73 DT B 15 3.366 8.235 7.577 1.00 0.00 H new ATOM 0 H6 DT B 15 1.007 7.670 7.675 1.00 0.00 H new ATOM 477 P DG B 16 -3.244 8.143 11.488 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.560 7.986 12.157 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.605 9.484 11.432 1.00 0.00 O ATOM 480 O5' DG B 16 -2.216 7.128 12.161 1.00 0.00 O ATOM 481 C5' DG B 16 -2.654 5.868 12.673 1.00 0.00 C ATOM 482 C4' DG B 16 -1.649 5.329 13.665 1.00 0.00 C ATOM 483 O4' DG B 16 -0.548 4.739 12.933 1.00 0.00 O ATOM 484 C3' DG B 16 -1.039 6.380 14.598 1.00 0.00 C ATOM 485 O3' DG B 16 -1.078 5.934 15.956 1.00 0.00 O ATOM 486 C2' DG B 16 0.396 6.515 14.124 1.00 0.00 C ATOM 487 C1' DG B 16 0.679 5.176 13.477 1.00 0.00 C ATOM 488 N9 DG B 16 1.656 5.230 12.395 1.00 0.00 N ATOM 489 C8 DG B 16 1.885 6.286 11.550 1.00 0.00 C ATOM 490 N7 DG B 16 2.826 6.054 10.677 1.00 0.00 N ATOM 491 C5 DG B 16 3.247 4.761 10.966 1.00 0.00 C ATOM 492 C6 DG B 16 4.248 3.960 10.356 1.00 0.00 C ATOM 493 O6 DG B 16 4.991 4.244 9.411 1.00 0.00 O ATOM 494 N1 DG B 16 4.344 2.712 10.962 1.00 0.00 N ATOM 495 C2 DG B 16 3.576 2.288 12.018 1.00 0.00 C ATOM 496 N2 DG B 16 3.813 1.049 12.463 1.00 0.00 N ATOM 497 N3 DG B 16 2.642 3.023 12.596 1.00 0.00 N ATOM 498 C4 DG B 16 2.532 4.240 12.024 1.00 0.00 C ATOM 0 H5' DG B 16 -2.783 5.160 11.854 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.626 5.981 13.154 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.200 4.620 14.282 1.00 0.00 H new ATOM 0 H3' DG B 16 -1.580 7.326 14.569 1.00 0.00 H new ATOM 0 H2' DG B 16 0.510 7.336 13.416 1.00 0.00 H new ATOM 0 H2'' DG B 16 1.076 6.713 14.953 1.00 0.00 H new ATOM 0 HO3' DG B 16 -0.683 6.618 16.536 1.00 0.00 H new ATOM 0 H1' DG B 16 1.097 4.513 14.235 1.00 0.00 H new ATOM 0 H8 DG B 16 1.340 7.217 11.602 1.00 0.00 H new ATOM 0 H1 DG B 16 5.038 2.062 10.594 1.00 0.00 H new ATOM 0 H21 DG B 16 3.275 0.676 13.245 1.00 0.00 H new ATOM 0 H22 DG B 16 4.532 0.477 12.020 1.00 0.00 H new TER 511 DG B 16