USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 Single : A 1 DA O5' : rot 29:sc= 0.00206 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.0452 (180deg=-0.0452) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 27:sc= 0.00491 USER MOD Single : B 2 DT C7 :methyl 150:sc=-0.00957 (180deg=-0.00957) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -5.829 10.907 -9.555 1.00 10.00 O ATOM 2 C5' DA A 1 -7.185 11.057 -9.189 1.00 10.00 C ATOM 3 C4' DA A 1 -7.671 9.852 -8.377 1.00 10.00 C ATOM 4 O4' DA A 1 -7.500 8.646 -9.102 1.00 10.00 O ATOM 5 C3' DA A 1 -6.899 9.648 -7.075 1.00 10.00 C ATOM 6 O3' DA A 1 -7.406 10.476 -6.043 1.00 10.00 O ATOM 7 C2' DA A 1 -7.129 8.164 -6.812 1.00 10.00 C ATOM 8 C1' DA A 1 -7.459 7.568 -8.179 1.00 10.00 C ATOM 9 N9 DA A 1 -6.451 6.570 -8.574 1.00 10.00 N ATOM 10 C8 DA A 1 -5.230 6.809 -9.123 1.00 10.00 C ATOM 11 N7 DA A 1 -4.560 5.738 -9.451 1.00 10.00 N ATOM 12 C5 DA A 1 -5.405 4.703 -9.062 1.00 10.00 C ATOM 13 C6 DA A 1 -5.303 3.296 -9.129 1.00 10.00 C ATOM 14 N6 DA A 1 -4.261 2.663 -9.683 1.00 10.00 N ATOM 15 N1 DA A 1 -6.301 2.560 -8.606 1.00 10.00 N ATOM 16 C2 DA A 1 -7.348 3.175 -8.059 1.00 10.00 C ATOM 17 N3 DA A 1 -7.572 4.481 -7.953 1.00 10.00 N ATOM 18 C4 DA A 1 -6.547 5.202 -8.484 1.00 10.00 C ATOM 0 H5' DA A 1 -7.797 11.167 -10.084 1.00 10.00 H new ATOM 0 H5'' DA A 1 -7.309 11.968 -8.604 1.00 10.00 H new ATOM 0 H4' DA A 1 -8.718 10.072 -8.167 1.00 10.00 H new ATOM 0 H3' DA A 1 -5.843 9.914 -7.125 1.00 10.00 H new ATOM 0 H2' DA A 1 -6.243 7.697 -6.381 1.00 10.00 H new ATOM 0 H2'' DA A 1 -7.945 8.010 -6.106 1.00 10.00 H new ATOM 0 HO5' DA A 1 -5.617 9.954 -9.643 1.00 10.00 H new ATOM 0 H1' DA A 1 -8.417 7.049 -8.153 1.00 10.00 H new ATOM 0 H8 DA A 1 -4.845 7.806 -9.276 1.00 10.00 H new ATOM 0 H61 DA A 1 -4.237 1.644 -9.705 1.00 10.00 H new ATOM 0 H62 DA A 1 -3.492 3.200 -10.083 1.00 10.00 H new ATOM 0 H2 DA A 1 -8.112 2.531 -7.650 1.00 10.00 H new ATOM 31 P DT A 2 -6.635 10.651 -4.632 1.00 10.00 P ATOM 32 OP1 DT A 2 -7.365 11.661 -3.835 1.00 10.00 O ATOM 33 OP2 DT A 2 -5.196 10.844 -4.918 1.00 10.00 O ATOM 34 O5' DT A 2 -6.810 9.217 -3.916 1.00 10.00 O ATOM 35 C5' DT A 2 -8.009 8.846 -3.257 1.00 10.00 C ATOM 36 C4' DT A 2 -7.917 7.378 -2.828 1.00 10.00 C ATOM 37 O4' DT A 2 -7.602 6.567 -3.944 1.00 10.00 O ATOM 38 C3' DT A 2 -6.816 7.139 -1.792 1.00 10.00 C ATOM 39 O3' DT A 2 -7.358 7.208 -0.482 1.00 10.00 O ATOM 40 C2' DT A 2 -6.284 5.755 -2.153 1.00 10.00 C ATOM 41 C1' DT A 2 -6.936 5.404 -3.492 1.00 10.00 C ATOM 42 N1 DT A 2 -5.903 5.008 -4.479 1.00 10.00 N ATOM 43 C2 DT A 2 -5.877 3.705 -4.974 1.00 10.00 C ATOM 44 O2 DT A 2 -6.701 2.847 -4.669 1.00 10.00 O ATOM 45 N3 DT A 2 -4.840 3.410 -5.849 1.00 10.00 N ATOM 46 C4 DT A 2 -3.845 4.285 -6.261 1.00 10.00 C ATOM 47 O4 DT A 2 -2.950 3.885 -7.003 1.00 10.00 O ATOM 48 C5 DT A 2 -3.972 5.632 -5.730 1.00 10.00 C ATOM 49 C7 DT A 2 -2.993 6.717 -6.134 1.00 10.00 C ATOM 50 C6 DT A 2 -4.970 5.933 -4.862 1.00 10.00 C ATOM 0 H5' DT A 2 -8.862 8.990 -3.920 1.00 10.00 H new ATOM 0 H5'' DT A 2 -8.171 9.482 -2.387 1.00 10.00 H new ATOM 0 H4' DT A 2 -8.886 7.126 -2.397 1.00 10.00 H new ATOM 0 H3' DT A 2 -6.019 7.883 -1.802 1.00 10.00 H new ATOM 0 H2' DT A 2 -5.197 5.761 -2.235 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.541 5.023 -1.387 1.00 10.00 H new ATOM 0 H1' DT A 2 -7.629 4.571 -3.375 1.00 10.00 H new ATOM 0 H3 DT A 2 -4.807 2.462 -6.224 1.00 10.00 H new ATOM 0 H71 DT A 2 -3.492 7.686 -6.107 1.00 10.00 H new ATOM 0 H72 DT A 2 -2.151 6.723 -5.442 1.00 10.00 H new ATOM 0 H73 DT A 2 -2.631 6.523 -7.144 1.00 10.00 H new ATOM 0 H6 DT A 2 -5.030 6.934 -4.461 1.00 10.00 H new ATOM 63 P DG A 3 -6.456 7.026 0.849 1.00 10.00 P ATOM 64 OP1 DG A 3 -7.101 7.787 1.942 1.00 10.00 O ATOM 65 OP2 DG A 3 -5.045 7.307 0.500 1.00 10.00 O ATOM 66 O5' DG A 3 -6.571 5.454 1.202 1.00 10.00 O ATOM 67 C5' DG A 3 -7.797 4.856 1.587 1.00 10.00 C ATOM 68 C4' DG A 3 -7.557 3.426 2.092 1.00 10.00 C ATOM 69 O4' DG A 3 -6.639 2.721 1.261 1.00 10.00 O ATOM 70 C3' DG A 3 -6.993 3.424 3.515 1.00 10.00 C ATOM 71 O3' DG A 3 -7.624 2.369 4.223 1.00 10.00 O ATOM 72 C2' DG A 3 -5.506 3.197 3.275 1.00 10.00 C ATOM 73 C1' DG A 3 -5.508 2.319 2.024 1.00 10.00 C ATOM 74 N9 DG A 3 -4.276 2.461 1.209 1.00 10.00 N ATOM 75 C8 DG A 3 -3.636 3.611 0.818 1.00 10.00 C ATOM 76 N7 DG A 3 -2.556 3.413 0.114 1.00 10.00 N ATOM 77 C5 DG A 3 -2.480 2.030 0.004 1.00 10.00 C ATOM 78 C6 DG A 3 -1.504 1.216 -0.647 1.00 10.00 C ATOM 79 O6 DG A 3 -0.495 1.582 -1.244 1.00 10.00 O ATOM 80 N1 DG A 3 -1.799 -0.142 -0.564 1.00 10.00 N ATOM 81 C2 DG A 3 -2.901 -0.659 0.092 1.00 10.00 C ATOM 82 N2 DG A 3 -3.043 -1.988 0.090 1.00 10.00 N ATOM 83 N3 DG A 3 -3.802 0.104 0.734 1.00 10.00 N ATOM 84 C4 DG A 3 -3.540 1.437 0.651 1.00 10.00 C ATOM 0 H5' DG A 3 -8.483 4.840 0.740 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.270 5.450 2.369 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.529 2.932 2.072 1.00 10.00 H new ATOM 0 H3' DG A 3 -7.157 4.323 4.108 1.00 10.00 H new ATOM 0 H2' DG A 3 -4.973 4.134 3.113 1.00 10.00 H new ATOM 0 H2'' DG A 3 -5.029 2.700 4.120 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.548 1.270 2.318 1.00 10.00 H new ATOM 0 H8 DG A 3 -3.997 4.597 1.072 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.161 -0.798 -1.016 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.840 -2.416 0.561 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.354 -2.574 -0.382 1.00 10.00 H new ATOM 96 P DC A 4 -7.364 2.088 5.790 1.00 10.00 P ATOM 97 OP1 DC A 4 -8.639 1.651 6.402 1.00 10.00 O ATOM 98 OP2 DC A 4 -6.624 3.234 6.365 1.00 10.00 O ATOM 99 O5' DC A 4 -6.369 0.826 5.728 1.00 10.00 O ATOM 100 C5' DC A 4 -6.843 -0.476 5.434 1.00 10.00 C ATOM 101 C4' DC A 4 -5.649 -1.416 5.249 1.00 10.00 C ATOM 102 O4' DC A 4 -4.851 -0.926 4.192 1.00 10.00 O ATOM 103 C3' DC A 4 -4.759 -1.488 6.496 1.00 10.00 C ATOM 104 O3' DC A 4 -4.962 -2.713 7.185 1.00 10.00 O ATOM 105 C2' DC A 4 -3.346 -1.361 5.938 1.00 10.00 C ATOM 106 C1' DC A 4 -3.524 -1.344 4.418 1.00 10.00 C ATOM 107 N1 DC A 4 -2.595 -0.359 3.815 1.00 10.00 N ATOM 108 C2 DC A 4 -1.540 -0.785 3.006 1.00 10.00 C ATOM 109 O2 DC A 4 -1.343 -1.977 2.783 1.00 10.00 O ATOM 110 N3 DC A 4 -0.721 0.161 2.462 1.00 10.00 N ATOM 111 C4 DC A 4 -0.906 1.467 2.714 1.00 10.00 C ATOM 112 N4 DC A 4 -0.090 2.353 2.136 1.00 10.00 N ATOM 113 C5 DC A 4 -1.973 1.918 3.562 1.00 10.00 C ATOM 114 C6 DC A 4 -2.781 0.971 4.082 1.00 10.00 C ATOM 0 H5' DC A 4 -7.451 -0.459 4.530 1.00 10.00 H new ATOM 0 H5'' DC A 4 -7.482 -0.834 6.241 1.00 10.00 H new ATOM 0 H4' DC A 4 -6.047 -2.411 5.047 1.00 10.00 H new ATOM 0 H3' DC A 4 -4.975 -0.712 7.231 1.00 10.00 H new ATOM 0 H2' DC A 4 -2.863 -0.449 6.290 1.00 10.00 H new ATOM 0 H2'' DC A 4 -2.720 -2.196 6.253 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.320 -2.321 3.980 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.212 3.350 2.313 1.00 10.00 H new ATOM 0 H42 DC A 4 0.655 2.032 1.518 1.00 10.00 H new ATOM 0 H5 DC A 4 -2.122 2.967 3.774 1.00 10.00 H new ATOM 0 H6 DC A 4 -3.595 1.270 4.725 1.00 10.00 H new ATOM 126 P DA A 5 -4.440 -2.957 8.701 1.00 10.00 P ATOM 127 OP1 DA A 5 -5.150 -4.142 9.231 1.00 10.00 O ATOM 128 OP2 DA A 5 -4.527 -1.674 9.433 1.00 10.00 O ATOM 129 O5' DA A 5 -2.873 -3.337 8.565 1.00 10.00 O ATOM 130 C5' DA A 5 -2.449 -4.586 8.047 1.00 10.00 C ATOM 131 C4' DA A 5 -0.942 -4.772 8.264 1.00 10.00 C ATOM 132 O4' DA A 5 -0.192 -3.696 7.719 1.00 10.00 O ATOM 133 C3' DA A 5 -0.571 -4.872 9.753 1.00 10.00 C ATOM 134 O3' DA A 5 -0.229 -6.213 10.064 1.00 10.00 O ATOM 135 C2' DA A 5 0.593 -3.886 9.897 1.00 10.00 C ATOM 136 C1' DA A 5 1.011 -3.598 8.458 1.00 10.00 C ATOM 137 N9 DA A 5 1.621 -2.262 8.315 1.00 10.00 N ATOM 138 C8 DA A 5 1.060 -1.066 8.656 1.00 10.00 C ATOM 139 N7 DA A 5 1.755 -0.019 8.313 1.00 10.00 N ATOM 140 C5 DA A 5 2.871 -0.566 7.692 1.00 10.00 C ATOM 141 C6 DA A 5 3.983 0.010 7.043 1.00 10.00 C ATOM 142 N6 DA A 5 4.137 1.333 6.918 1.00 10.00 N ATOM 143 N1 DA A 5 4.911 -0.808 6.510 1.00 10.00 N ATOM 144 C2 DA A 5 4.745 -2.125 6.614 1.00 10.00 C ATOM 145 N3 DA A 5 3.742 -2.790 7.187 1.00 10.00 N ATOM 146 C4 DA A 5 2.818 -1.939 7.712 1.00 10.00 C ATOM 0 H5' DA A 5 -2.679 -4.643 6.983 1.00 10.00 H new ATOM 0 H5'' DA A 5 -2.995 -5.393 8.535 1.00 10.00 H new ATOM 0 H4' DA A 5 -0.698 -5.705 7.756 1.00 10.00 H new ATOM 0 H3' DA A 5 -1.374 -4.621 10.446 1.00 10.00 H new ATOM 0 H2' DA A 5 0.285 -2.977 10.413 1.00 10.00 H new ATOM 0 H2'' DA A 5 1.412 -4.317 10.472 1.00 10.00 H new ATOM 0 H1' DA A 5 1.775 -4.294 8.110 1.00 10.00 H new ATOM 0 H8 DA A 5 0.113 -0.993 9.170 1.00 10.00 H new ATOM 0 H61 DA A 5 4.957 1.708 6.441 1.00 10.00 H new ATOM 0 H62 DA A 5 3.435 1.966 7.300 1.00 10.00 H new ATOM 0 H2 DA A 5 5.524 -2.733 6.178 1.00 10.00 H new ATOM 158 P DT A 6 0.163 -6.688 11.561 1.00 10.00 P ATOM 159 OP1 DT A 6 -0.054 -8.149 11.656 1.00 10.00 O ATOM 160 OP2 DT A 6 -0.486 -5.783 12.535 1.00 10.00 O ATOM 161 O5' DT A 6 1.749 -6.415 11.600 1.00 10.00 O ATOM 162 C5' DT A 6 2.636 -7.174 10.804 1.00 10.00 C ATOM 163 C4' DT A 6 4.035 -6.554 10.794 1.00 10.00 C ATOM 164 O4' DT A 6 4.027 -5.298 10.145 1.00 10.00 O ATOM 165 C3' DT A 6 4.617 -6.270 12.178 1.00 10.00 C ATOM 166 O3' DT A 6 5.286 -7.397 12.703 1.00 10.00 O ATOM 167 C2' DT A 6 5.582 -5.115 11.910 1.00 10.00 C ATOM 168 C1' DT A 6 5.231 -4.640 10.494 1.00 10.00 C ATOM 169 N1 DT A 6 5.054 -3.164 10.432 1.00 10.00 N ATOM 170 C2 DT A 6 5.954 -2.409 9.680 1.00 10.00 C ATOM 171 O2 DT A 6 6.891 -2.899 9.053 1.00 10.00 O ATOM 172 N3 DT A 6 5.743 -1.040 9.668 1.00 10.00 N ATOM 173 C4 DT A 6 4.732 -0.359 10.328 1.00 10.00 C ATOM 174 O4 DT A 6 4.646 0.862 10.220 1.00 10.00 O ATOM 175 C5 DT A 6 3.845 -1.213 11.099 1.00 10.00 C ATOM 176 C7 DT A 6 2.714 -0.586 11.891 1.00 10.00 C ATOM 177 C6 DT A 6 4.032 -2.558 11.125 1.00 10.00 C ATOM 0 H5' DT A 6 2.254 -7.234 9.785 1.00 10.00 H new ATOM 0 H5'' DT A 6 2.690 -8.194 11.185 1.00 10.00 H new ATOM 0 H4' DT A 6 4.640 -7.305 10.285 1.00 10.00 H new ATOM 0 H3' DT A 6 3.857 -6.030 12.922 1.00 10.00 H new ATOM 0 H2' DT A 6 5.456 -4.315 12.639 1.00 10.00 H new ATOM 0 H2'' DT A 6 6.620 -5.442 11.973 1.00 10.00 H new ATOM 0 HO3' DT A 6 5.647 -7.180 13.588 1.00 10.00 H new ATOM 0 H1' DT A 6 6.039 -4.877 9.802 1.00 10.00 H new ATOM 0 H3 DT A 6 6.395 -0.478 9.120 1.00 10.00 H new ATOM 0 H71 DT A 6 1.882 -1.287 11.955 1.00 10.00 H new ATOM 0 H72 DT A 6 3.063 -0.345 12.895 1.00 10.00 H new ATOM 0 H73 DT A 6 2.383 0.325 11.393 1.00 10.00 H new ATOM 0 H6 DT A 6 3.358 -3.170 11.707 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 13.734 5.446 5.284 1.00 10.00 O ATOM 193 C5' DA B 1 14.651 4.383 5.133 1.00 10.00 C ATOM 194 C4' DA B 1 13.919 3.046 4.977 1.00 10.00 C ATOM 195 O4' DA B 1 13.073 2.795 6.086 1.00 10.00 O ATOM 196 C3' DA B 1 13.004 2.996 3.755 1.00 10.00 C ATOM 197 O3' DA B 1 13.731 2.672 2.582 1.00 10.00 O ATOM 198 C2' DA B 1 12.013 1.910 4.161 1.00 10.00 C ATOM 199 C1' DA B 1 12.068 1.876 5.688 1.00 10.00 C ATOM 200 N9 DA B 1 10.764 2.235 6.272 1.00 10.00 N ATOM 201 C8 DA B 1 10.260 3.486 6.448 1.00 10.00 C ATOM 202 N7 DA B 1 9.111 3.531 7.062 1.00 10.00 N ATOM 203 C5 DA B 1 8.821 2.189 7.293 1.00 10.00 C ATOM 204 C6 DA B 1 7.739 1.530 7.915 1.00 10.00 C ATOM 205 N6 DA B 1 6.713 2.180 8.478 1.00 10.00 N ATOM 206 N1 DA B 1 7.740 0.184 7.936 1.00 10.00 N ATOM 207 C2 DA B 1 8.757 -0.475 7.384 1.00 10.00 C ATOM 208 N3 DA B 1 9.837 0.025 6.788 1.00 10.00 N ATOM 209 C4 DA B 1 9.809 1.385 6.777 1.00 10.00 C ATOM 0 H5' DA B 1 15.311 4.342 5.999 1.00 10.00 H new ATOM 0 H5'' DA B 1 15.280 4.561 4.261 1.00 10.00 H new ATOM 0 H4' DA B 1 14.717 2.310 4.883 1.00 10.00 H new ATOM 0 H3' DA B 1 12.523 3.942 3.506 1.00 10.00 H new ATOM 0 H2' DA B 1 11.008 2.140 3.807 1.00 10.00 H new ATOM 0 H2'' DA B 1 12.288 0.945 3.734 1.00 10.00 H new ATOM 0 HO5' DA B 1 12.905 5.108 5.682 1.00 10.00 H new ATOM 0 H1' DA B 1 12.302 0.872 6.042 1.00 10.00 H new ATOM 0 H8 DA B 1 10.772 4.373 6.106 1.00 10.00 H new ATOM 0 H61 DA B 1 5.955 1.656 8.915 1.00 10.00 H new ATOM 0 H62 DA B 1 6.689 3.200 8.470 1.00 10.00 H new ATOM 0 H2 DA B 1 8.698 -1.553 7.425 1.00 10.00 H new ATOM 222 P DT B 2 13.072 2.789 1.110 1.00 10.00 P ATOM 223 OP1 DT B 2 14.128 2.507 0.113 1.00 10.00 O ATOM 224 OP2 DT B 2 12.322 4.063 1.042 1.00 10.00 O ATOM 225 O5' DT B 2 12.003 1.583 1.071 1.00 10.00 O ATOM 226 C5' DT B 2 12.393 0.240 0.841 1.00 10.00 C ATOM 227 C4' DT B 2 11.178 -0.675 1.022 1.00 10.00 C ATOM 228 O4' DT B 2 10.606 -0.464 2.299 1.00 10.00 O ATOM 229 C3' DT B 2 10.075 -0.397 -0.002 1.00 10.00 C ATOM 230 O3' DT B 2 10.212 -1.271 -1.113 1.00 10.00 O ATOM 231 C2' DT B 2 8.792 -0.631 0.788 1.00 10.00 C ATOM 232 C1' DT B 2 9.231 -0.789 2.247 1.00 10.00 C ATOM 233 N1 DT B 2 8.473 0.138 3.120 1.00 10.00 N ATOM 234 C2 DT B 2 7.623 -0.366 4.104 1.00 10.00 C ATOM 235 O2 DT B 2 7.489 -1.565 4.333 1.00 10.00 O ATOM 236 N3 DT B 2 6.906 0.577 4.828 1.00 10.00 N ATOM 237 C4 DT B 2 6.966 1.954 4.659 1.00 10.00 C ATOM 238 O4 DT B 2 6.240 2.685 5.328 1.00 10.00 O ATOM 239 C5 DT B 2 7.915 2.395 3.650 1.00 10.00 C ATOM 240 C7 DT B 2 8.138 3.873 3.395 1.00 10.00 C ATOM 241 C6 DT B 2 8.609 1.486 2.922 1.00 10.00 C ATOM 0 H5' DT B 2 13.185 -0.045 1.534 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.797 0.133 -0.166 1.00 10.00 H new ATOM 0 H4' DT B 2 11.542 -1.694 0.895 1.00 10.00 H new ATOM 0 H3' DT B 2 10.101 0.606 -0.429 1.00 10.00 H new ATOM 0 H2' DT B 2 8.103 0.206 0.674 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.272 -1.522 0.436 1.00 10.00 H new ATOM 0 H1' DT B 2 9.046 -1.806 2.593 1.00 10.00 H new ATOM 0 H3 DT B 2 6.277 0.226 5.551 1.00 10.00 H new ATOM 0 H71 DT B 2 9.162 4.034 3.058 1.00 10.00 H new ATOM 0 H72 DT B 2 7.445 4.218 2.628 1.00 10.00 H new ATOM 0 H73 DT B 2 7.967 4.431 4.316 1.00 10.00 H new ATOM 0 H6 DT B 2 9.291 1.836 2.161 1.00 10.00 H new ATOM 254 P DG B 3 9.195 -1.254 -2.373 1.00 10.00 P ATOM 255 OP1 DG B 3 9.948 -1.685 -3.571 1.00 10.00 O ATOM 256 OP2 DG B 3 8.487 0.046 -2.384 1.00 10.00 O ATOM 257 O5' DG B 3 8.108 -2.401 -2.029 1.00 10.00 O ATOM 258 C5' DG B 3 8.460 -3.769 -1.917 1.00 10.00 C ATOM 259 C4' DG B 3 7.200 -4.646 -1.835 1.00 10.00 C ATOM 260 O4' DG B 3 6.229 -4.083 -0.958 1.00 10.00 O ATOM 261 C3' DG B 3 6.540 -4.820 -3.204 1.00 10.00 C ATOM 262 O3' DG B 3 6.043 -6.147 -3.286 1.00 10.00 O ATOM 263 C2' DG B 3 5.440 -3.769 -3.163 1.00 10.00 C ATOM 264 C1' DG B 3 5.047 -3.770 -1.685 1.00 10.00 C ATOM 265 N9 DG B 3 4.507 -2.466 -1.227 1.00 10.00 N ATOM 266 C8 DG B 3 5.007 -1.207 -1.450 1.00 10.00 C ATOM 267 N7 DG B 3 4.303 -0.246 -0.921 1.00 10.00 N ATOM 268 C5 DG B 3 3.261 -0.910 -0.287 1.00 10.00 C ATOM 269 C6 DG B 3 2.157 -0.384 0.449 1.00 10.00 C ATOM 270 O6 DG B 3 1.887 0.797 0.654 1.00 10.00 O ATOM 271 N1 DG B 3 1.343 -1.380 0.977 1.00 10.00 N ATOM 272 C2 DG B 3 1.559 -2.735 0.800 1.00 10.00 C ATOM 273 N2 DG B 3 0.686 -3.569 1.373 1.00 10.00 N ATOM 274 N3 DG B 3 2.575 -3.232 0.074 1.00 10.00 N ATOM 275 C4 DG B 3 3.392 -2.271 -0.440 1.00 10.00 C ATOM 0 H5' DG B 3 9.074 -3.921 -1.029 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.062 -4.067 -2.776 1.00 10.00 H new ATOM 0 H4' DG B 3 7.533 -5.613 -1.458 1.00 10.00 H new ATOM 0 H3' DG B 3 7.185 -4.689 -4.073 1.00 10.00 H new ATOM 0 H2' DG B 3 5.798 -2.792 -3.488 1.00 10.00 H new ATOM 0 H2'' DG B 3 4.601 -4.032 -3.807 1.00 10.00 H new ATOM 0 H1' DG B 3 4.250 -4.496 -1.524 1.00 10.00 H new ATOM 0 H8 DG B 3 5.909 -1.028 -2.017 1.00 10.00 H new ATOM 0 H1 DG B 3 0.535 -1.093 1.530 1.00 10.00 H new ATOM 0 H21 DG B 3 0.802 -4.577 1.272 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.096 -3.197 1.912 1.00 10.00 H new ATOM 287 P DC B 4 5.364 -6.746 -4.626 1.00 10.00 P ATOM 288 OP1 DC B 4 5.780 -8.160 -4.762 1.00 10.00 O ATOM 289 OP2 DC B 4 5.596 -5.799 -5.739 1.00 10.00 O ATOM 290 O5' DC B 4 3.798 -6.711 -4.255 1.00 10.00 O ATOM 291 C5' DC B 4 3.212 -7.688 -3.412 1.00 10.00 C ATOM 292 C4' DC B 4 1.781 -7.269 -3.066 1.00 10.00 C ATOM 293 O4' DC B 4 1.831 -6.004 -2.442 1.00 10.00 O ATOM 294 C3' DC B 4 0.880 -7.134 -4.302 1.00 10.00 C ATOM 295 O3' DC B 4 -0.044 -8.209 -4.365 1.00 10.00 O ATOM 296 C2' DC B 4 0.191 -5.788 -4.111 1.00 10.00 C ATOM 297 C1' DC B 4 0.620 -5.337 -2.714 1.00 10.00 C ATOM 298 N1 DC B 4 0.864 -3.879 -2.722 1.00 10.00 N ATOM 299 C2 DC B 4 0.023 -3.023 -2.009 1.00 10.00 C ATOM 300 O2 DC B 4 -0.921 -3.451 -1.349 1.00 10.00 O ATOM 301 N3 DC B 4 0.271 -1.683 -2.070 1.00 10.00 N ATOM 302 C4 DC B 4 1.280 -1.202 -2.810 1.00 10.00 C ATOM 303 N4 DC B 4 1.452 0.117 -2.866 1.00 10.00 N ATOM 304 C5 DC B 4 2.148 -2.066 -3.556 1.00 10.00 C ATOM 305 C6 DC B 4 1.896 -3.389 -3.478 1.00 10.00 C ATOM 0 H5' DC B 4 3.801 -7.799 -2.501 1.00 10.00 H new ATOM 0 H5'' DC B 4 3.209 -8.658 -3.909 1.00 10.00 H new ATOM 0 H4' DC B 4 1.363 -8.044 -2.424 1.00 10.00 H new ATOM 0 H3' DC B 4 1.429 -7.174 -5.243 1.00 10.00 H new ATOM 0 H2' DC B 4 0.500 -5.072 -4.872 1.00 10.00 H new ATOM 0 H2'' DC B 4 -0.893 -5.882 -4.183 1.00 10.00 H new ATOM 0 H1' DC B 4 -0.144 -5.561 -1.969 1.00 10.00 H new ATOM 0 H41 DC B 4 2.212 0.509 -3.422 1.00 10.00 H new ATOM 0 H42 DC B 4 0.824 0.735 -2.353 1.00 10.00 H new ATOM 0 H5 DC B 4 2.962 -1.677 -4.150 1.00 10.00 H new ATOM 0 H6 DC B 4 2.523 -4.078 -4.025 1.00 10.00 H new ATOM 317 P DA B 5 -0.898 -8.546 -5.701 1.00 10.00 P ATOM 318 OP1 DA B 5 -1.456 -9.907 -5.543 1.00 10.00 O ATOM 319 OP2 DA B 5 -0.054 -8.242 -6.878 1.00 10.00 O ATOM 320 O5' DA B 5 -2.131 -7.500 -5.698 1.00 10.00 O ATOM 321 C5' DA B 5 -3.211 -7.617 -4.788 1.00 10.00 C ATOM 322 C4' DA B 5 -4.342 -6.656 -5.174 1.00 10.00 C ATOM 323 O4' DA B 5 -3.897 -5.311 -5.280 1.00 10.00 O ATOM 324 C3' DA B 5 -4.977 -7.024 -6.524 1.00 10.00 C ATOM 325 O3' DA B 5 -6.246 -7.619 -6.307 1.00 10.00 O ATOM 326 C2' DA B 5 -5.036 -5.686 -7.268 1.00 10.00 C ATOM 327 C1' DA B 5 -4.764 -4.649 -6.183 1.00 10.00 C ATOM 328 N9 DA B 5 -4.148 -3.424 -6.729 1.00 10.00 N ATOM 329 C8 DA B 5 -2.988 -3.337 -7.440 1.00 10.00 C ATOM 330 N7 DA B 5 -2.600 -2.121 -7.705 1.00 10.00 N ATOM 331 C5 DA B 5 -3.590 -1.336 -7.125 1.00 10.00 C ATOM 332 C6 DA B 5 -3.758 0.059 -7.002 1.00 10.00 C ATOM 333 N6 DA B 5 -2.868 0.939 -7.475 1.00 10.00 N ATOM 334 N1 DA B 5 -4.850 0.520 -6.363 1.00 10.00 N ATOM 335 C2 DA B 5 -5.727 -0.353 -5.870 1.00 10.00 C ATOM 336 N3 DA B 5 -5.678 -1.684 -5.908 1.00 10.00 N ATOM 337 C4 DA B 5 -4.563 -2.122 -6.555 1.00 10.00 C ATOM 0 H5' DA B 5 -2.868 -7.398 -3.777 1.00 10.00 H new ATOM 0 H5'' DA B 5 -3.582 -8.642 -4.784 1.00 10.00 H new ATOM 0 H4' DA B 5 -5.072 -6.748 -4.370 1.00 10.00 H new ATOM 0 H3' DA B 5 -4.424 -7.762 -7.105 1.00 10.00 H new ATOM 0 H2' DA B 5 -4.291 -5.638 -8.062 1.00 10.00 H new ATOM 0 H2'' DA B 5 -6.009 -5.531 -7.734 1.00 10.00 H new ATOM 0 H1' DA B 5 -5.682 -4.307 -5.705 1.00 10.00 H new ATOM 0 H8 DA B 5 -2.434 -4.207 -7.759 1.00 10.00 H new ATOM 0 H61 DA B 5 -3.031 1.940 -7.363 1.00 10.00 H new ATOM 0 H62 DA B 5 -2.026 0.609 -7.947 1.00 10.00 H new ATOM 0 H2 DA B 5 -6.588 0.073 -5.376 1.00 10.00 H new ATOM 349 P DT B 6 -7.154 -8.199 -7.515 1.00 10.00 P ATOM 350 OP1 DT B 6 -8.105 -9.182 -6.950 1.00 10.00 O ATOM 351 OP2 DT B 6 -6.269 -8.589 -8.635 1.00 10.00 O ATOM 352 O5' DT B 6 -7.989 -6.898 -7.966 1.00 10.00 O ATOM 353 C5' DT B 6 -8.968 -6.334 -7.118 1.00 10.00 C ATOM 354 C4' DT B 6 -9.415 -4.964 -7.630 1.00 10.00 C ATOM 355 O4' DT B 6 -8.355 -4.030 -7.564 1.00 10.00 O ATOM 356 C3' DT B 6 -9.858 -4.943 -9.093 1.00 10.00 C ATOM 357 O3' DT B 6 -11.224 -5.273 -9.231 1.00 10.00 O ATOM 358 C2' DT B 6 -9.579 -3.498 -9.510 1.00 10.00 C ATOM 359 C1' DT B 6 -8.717 -2.929 -8.375 1.00 10.00 C ATOM 360 N1 DT B 6 -7.502 -2.242 -8.891 1.00 10.00 N ATOM 361 C2 DT B 6 -7.374 -0.868 -8.694 1.00 10.00 C ATOM 362 O2 DT B 6 -8.208 -0.186 -8.103 1.00 10.00 O ATOM 363 N3 DT B 6 -6.229 -0.281 -9.209 1.00 10.00 N ATOM 364 C4 DT B 6 -5.213 -0.926 -9.895 1.00 10.00 C ATOM 365 O4 DT B 6 -4.240 -0.286 -10.289 1.00 10.00 O ATOM 366 C5 DT B 6 -5.424 -2.353 -10.068 1.00 10.00 C ATOM 367 C7 DT B 6 -4.397 -3.169 -10.827 1.00 10.00 C ATOM 368 C6 DT B 6 -6.538 -2.951 -9.570 1.00 10.00 C ATOM 0 H5' DT B 6 -8.567 -6.236 -6.109 1.00 10.00 H new ATOM 0 H5'' DT B 6 -9.828 -7.001 -7.056 1.00 10.00 H new ATOM 0 H4' DT B 6 -10.258 -4.716 -6.985 1.00 10.00 H new ATOM 0 H3' DT B 6 -9.338 -5.676 -9.710 1.00 10.00 H new ATOM 0 H2' DT B 6 -9.056 -3.455 -10.465 1.00 10.00 H new ATOM 0 H2'' DT B 6 -10.504 -2.933 -9.627 1.00 10.00 H new ATOM 0 HO3' DT B 6 -11.472 -5.248 -10.179 1.00 10.00 H new ATOM 0 H1' DT B 6 -9.275 -2.178 -7.815 1.00 10.00 H new ATOM 0 H3 DT B 6 -6.124 0.724 -9.069 1.00 10.00 H new ATOM 0 H71 DT B 6 -4.386 -4.189 -10.442 1.00 10.00 H new ATOM 0 H72 DT B 6 -4.655 -3.184 -11.886 1.00 10.00 H new ATOM 0 H73 DT B 6 -3.411 -2.722 -10.700 1.00 10.00 H new ATOM 0 H6 DT B 6 -6.670 -4.013 -9.711 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 -0.123 1.492 -5.047 1.00 10.00 O HETATM 384 C11 NF A 7 -1.177 1.482 -4.469 1.00 10.00 C HETATM 385 N21 NF A 7 -1.743 2.672 -3.999 1.00 10.00 N HETATM 386 C12 NF A 7 -1.013 3.947 -4.245 1.00 10.00 C HETATM 387 C31 NF A 7 -2.956 2.736 -3.305 1.00 10.00 C HETATM 388 O31 NF A 7 -3.390 3.788 -2.924 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.684 1.451 -3.045 1.00 10.00 C HETATM 390 CXD NF A 7 -3.136 0.221 -3.489 1.00 10.00 C HETATM 391 CXT NF A 7 -1.908 0.201 -4.202 1.00 10.00 C HETATM 392 C91 NF A 7 -1.385 -0.993 -4.649 1.00 10.00 C HETATM 393 C81 NF A 7 -2.036 -2.207 -4.378 1.00 10.00 C HETATM 394 C71 NF A 7 -3.239 -2.223 -3.658 1.00 10.00 C HETATM 395 CXN NF A 7 -3.817 -0.999 -3.215 1.00 10.00 C HETATM 396 C61 NF A 7 -5.053 -0.951 -2.509 1.00 10.00 C HETATM 397 C51 NF A 7 -5.577 0.282 -2.094 1.00 10.00 C HETATM 398 C41 NF A 7 -4.883 1.471 -2.366 1.00 10.00 C HETATM 399 C22 NF A 7 -0.087 4.371 -3.100 1.00 10.00 C HETATM 400 N32 NF A 7 0.978 3.376 -2.882 1.00 10.00 N HETATM 401 C42 NF A 7 2.110 3.815 -2.039 1.00 10.00 C HETATM 402 C52 NF A 7 3.207 2.745 -2.036 1.00 10.00 C HETATM 403 C62 NF A 7 4.516 3.151 -1.347 1.00 10.00 C HETATM 404 N72 NF A 7 4.637 2.634 0.033 1.00 10.00 N HETATM 405 C82 NF A 7 3.920 3.381 1.086 1.00 10.00 C HETATM 406 O13 NF A 7 2.219 2.536 4.072 1.00 10.00 O HETATM 407 C13 NF A 7 2.802 1.545 3.726 1.00 10.00 C HETATM 408 N23 NF A 7 3.944 1.624 2.921 1.00 10.00 N HETATM 409 C92 NF A 7 4.400 2.973 2.485 1.00 10.00 C HETATM 410 C33 NF A 7 4.676 0.509 2.499 1.00 10.00 C HETATM 411 O33 NF A 7 5.650 0.643 1.810 1.00 10.00 O HETATM 412 CX5 NF A 7 4.193 -0.848 2.913 1.00 10.00 C HETATM 413 CXF NF A 7 3.027 -0.973 3.710 1.00 10.00 C HETATM 414 CXV NF A 7 2.326 0.185 4.135 1.00 10.00 C HETATM 415 C93 NF A 7 1.206 0.065 4.928 1.00 10.00 C HETATM 416 C83 NF A 7 0.730 -1.199 5.302 1.00 10.00 C HETATM 417 C73 NF A 7 1.383 -2.363 4.875 1.00 10.00 C HETATM 418 CXP NF A 7 2.559 -2.264 4.082 1.00 10.00 C HETATM 419 C63 NF A 7 3.285 -3.411 3.649 1.00 10.00 C HETATM 420 C53 NF A 7 4.439 -3.256 2.869 1.00 10.00 C HETATM 421 C43 NF A 7 4.878 -1.973 2.509 1.00 10.00 C HETATM 0 H922 NF A 7 5.490 2.999 2.504 1.00 10.00 H new HETATM 0 H912 NF A 7 4.051 3.712 3.206 1.00 10.00 H new HETATM 0 H822 NF A 7 4.073 4.451 0.944 1.00 10.00 H new HETATM 0 H812 NF A 7 2.849 3.198 0.999 1.00 10.00 H new HETATM 0 H722 NF A 7 4.303 1.670 0.042 1.00 10.00 H new HETATM 0 H712 NF A 7 5.627 2.609 0.278 1.00 10.00 H new HETATM 0 H622 NF A 7 5.357 2.788 -1.938 1.00 10.00 H new HETATM 0 H612 NF A 7 4.586 4.239 -1.327 1.00 10.00 H new HETATM 0 H522 NF A 7 2.819 1.852 -1.546 1.00 10.00 H new HETATM 0 H512 NF A 7 3.428 2.472 -3.068 1.00 10.00 H new HETATM 0 H422 NF A 7 2.510 4.757 -2.415 1.00 10.00 H new HETATM 0 H412 NF A 7 1.766 3.998 -1.021 1.00 10.00 H new HETATM 0 H322 NF A 7 0.562 2.548 -2.456 1.00 10.00 H new HETATM 0 H312 NF A 7 1.344 3.092 -3.791 1.00 10.00 H new HETATM 0 H222 NF A 7 0.357 5.340 -3.328 1.00 10.00 H new HETATM 0 H212 NF A 7 -0.667 4.493 -2.185 1.00 10.00 H new HETATM 0 H122 NF A 7 -0.423 3.845 -5.156 1.00 10.00 H new HETATM 0 H112 NF A 7 -1.739 4.740 -4.423 1.00 10.00 H new HETATM 0 H93 NF A 7 0.686 0.961 5.267 1.00 10.00 H new HETATM 0 H91 NF A 7 -0.456 -0.995 -5.219 1.00 10.00 H new HETATM 0 H83 NF A 7 -0.157 -1.277 5.931 1.00 10.00 H new HETATM 0 H81 NF A 7 -1.603 -3.144 -4.730 1.00 10.00 H new HETATM 0 H73 NF A 7 0.990 -3.342 5.150 1.00 10.00 H new HETATM 0 H71 NF A 7 -3.731 -3.170 -3.438 1.00 10.00 H new HETATM 0 H63 NF A 7 2.943 -4.409 3.924 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.592 -1.873 -2.291 1.00 10.00 H new HETATM 0 H53 NF A 7 4.996 -4.134 2.542 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.526 0.317 -1.559 1.00 10.00 H new HETATM 0 H43 NF A 7 5.775 -1.865 1.900 1.00 10.00 H new HETATM 0 H41 NF A 7 -5.298 2.423 -2.036 1.00 10.00 H new