USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 hydrogens (0 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 Set 1.1: A 4 DT C7 :methyl -30:sc= -0.0287 (180deg=0) USER MOD Set 1.2: B 16 DT C7 :methyl 150:sc= -0.558 (180deg=-0.534) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -0.158 (180deg=-0.401) USER MOD Set 2.2: B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 36:sc= 0.00327 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT 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 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot -96:sc= 0.657 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 9.733 -4.043 -8.065 1.00 0.00 O ATOM 2 C5' DT A 1 10.805 -3.131 -8.256 1.00 0.00 C ATOM 3 C4' DT A 1 10.290 -1.724 -8.570 1.00 0.00 C ATOM 4 O4' DT A 1 9.533 -1.781 -9.763 1.00 0.00 O ATOM 5 C3' DT A 1 9.359 -1.161 -7.488 1.00 0.00 C ATOM 6 O3' DT A 1 9.710 0.161 -7.135 1.00 0.00 O ATOM 7 C2' DT A 1 8.018 -1.095 -8.187 1.00 0.00 C ATOM 8 C1' DT A 1 8.458 -0.877 -9.634 1.00 0.00 C ATOM 9 N1 DT A 1 7.396 -1.144 -10.639 1.00 0.00 N ATOM 10 C2 DT A 1 7.736 -1.486 -11.961 1.00 0.00 C ATOM 11 O2 DT A 1 8.872 -1.552 -12.408 1.00 0.00 O ATOM 12 N3 DT A 1 6.699 -1.743 -12.823 1.00 0.00 N ATOM 13 C4 DT A 1 5.359 -1.607 -12.538 1.00 0.00 C ATOM 14 O4 DT A 1 4.544 -1.821 -13.431 1.00 0.00 O ATOM 15 C5 DT A 1 5.076 -1.162 -11.173 1.00 0.00 C ATOM 16 C7 DT A 1 3.664 -0.848 -10.717 1.00 0.00 C ATOM 17 C6 DT A 1 6.081 -0.943 -10.293 1.00 0.00 C ATOM 0 H5' DT A 1 11.440 -3.478 -9.071 1.00 0.00 H new ATOM 0 H5'' DT A 1 11.425 -3.102 -7.360 1.00 0.00 H new ATOM 0 H4' DT A 1 11.166 -1.080 -8.642 1.00 0.00 H new ATOM 0 H3' DT A 1 9.389 -1.766 -6.582 1.00 0.00 H new ATOM 0 H2' DT A 1 7.443 -2.013 -8.064 1.00 0.00 H new ATOM 0 H2'' DT A 1 7.399 -0.278 -7.816 1.00 0.00 H new ATOM 0 HO5' DT A 1 9.002 -3.822 -8.680 1.00 0.00 H new ATOM 0 H1' DT A 1 8.718 0.164 -9.828 1.00 0.00 H new ATOM 0 H3 DT A 1 6.944 -2.064 -13.760 1.00 0.00 H new ATOM 0 H71 DT A 1 3.571 -1.057 -9.651 1.00 0.00 H new ATOM 0 H72 DT A 1 3.448 0.204 -10.901 1.00 0.00 H new ATOM 0 H73 DT A 1 2.957 -1.466 -11.271 1.00 0.00 H new ATOM 0 H6 DT A 1 5.844 -0.602 -9.296 1.00 0.00 H new ATOM 31 P DG A 2 10.907 0.451 -6.102 1.00 0.00 P ATOM 32 OP1 DG A 2 11.068 1.915 -5.990 1.00 0.00 O ATOM 33 OP2 DG A 2 12.051 -0.408 -6.474 1.00 0.00 O ATOM 34 O5' DG A 2 10.253 -0.097 -4.739 1.00 0.00 O ATOM 35 C5' DG A 2 9.099 0.514 -4.195 1.00 0.00 C ATOM 36 C4' DG A 2 8.742 -0.071 -2.827 1.00 0.00 C ATOM 37 O4' DG A 2 7.462 0.399 -2.446 1.00 0.00 O ATOM 38 C3' DG A 2 8.759 -1.602 -2.731 1.00 0.00 C ATOM 39 O3' DG A 2 9.435 -2.162 -1.601 1.00 0.00 O ATOM 40 C2' DG A 2 7.289 -1.964 -2.758 1.00 0.00 C ATOM 41 C1' DG A 2 6.530 -0.662 -2.453 1.00 0.00 C ATOM 42 N9 DG A 2 5.543 -0.374 -3.507 1.00 0.00 N ATOM 43 C8 DG A 2 5.716 -0.541 -4.849 1.00 0.00 C ATOM 44 N7 DG A 2 4.665 -0.269 -5.573 1.00 0.00 N ATOM 45 C5 DG A 2 3.728 0.168 -4.622 1.00 0.00 C ATOM 46 C6 DG A 2 2.377 0.659 -4.749 1.00 0.00 C ATOM 47 O6 DG A 2 1.664 0.798 -5.742 1.00 0.00 O ATOM 48 N1 DG A 2 1.820 1.040 -3.546 1.00 0.00 N ATOM 49 C2 DG A 2 2.432 0.893 -2.346 1.00 0.00 C ATOM 50 N2 DG A 2 1.746 1.286 -1.306 1.00 0.00 N ATOM 51 N3 DG A 2 3.652 0.393 -2.171 1.00 0.00 N ATOM 52 C4 DG A 2 4.262 0.085 -3.351 1.00 0.00 C ATOM 0 H5' DG A 2 8.260 0.381 -4.878 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.266 1.587 -4.100 1.00 0.00 H new ATOM 0 H4' DG A 2 9.530 0.268 -2.155 1.00 0.00 H new ATOM 0 H3' DG A 2 9.345 -2.025 -3.547 1.00 0.00 H new ATOM 0 H2' DG A 2 7.003 -2.364 -3.731 1.00 0.00 H new ATOM 0 H2'' DG A 2 7.062 -2.731 -2.018 1.00 0.00 H new ATOM 0 H1' DG A 2 6.021 -0.768 -1.495 1.00 0.00 H new ATOM 0 H8 DG A 2 6.650 -0.872 -5.279 1.00 0.00 H new ATOM 0 H1 DG A 2 0.890 1.458 -3.561 1.00 0.00 H new ATOM 0 H21 DG A 2 2.146 1.205 -0.371 1.00 0.00 H new ATOM 0 H22 DG A 2 0.811 1.674 -1.429 1.00 0.00 H new ATOM 64 P DC A 3 9.142 -1.837 -0.038 1.00 0.00 P ATOM 65 OP1 DC A 3 9.085 -0.380 0.164 1.00 0.00 O ATOM 66 OP2 DC A 3 10.148 -2.590 0.744 1.00 0.00 O ATOM 67 O5' DC A 3 7.699 -2.467 0.311 1.00 0.00 O ATOM 68 C5' DC A 3 6.957 -2.017 1.433 1.00 0.00 C ATOM 69 C4' DC A 3 5.590 -2.708 1.550 1.00 0.00 C ATOM 70 O4' DC A 3 4.794 -2.367 0.434 1.00 0.00 O ATOM 71 C3' DC A 3 5.610 -4.240 1.630 1.00 0.00 C ATOM 72 O3' DC A 3 5.352 -4.714 2.939 1.00 0.00 O ATOM 73 C2' DC A 3 4.397 -4.646 0.792 1.00 0.00 C ATOM 74 C1' DC A 3 3.776 -3.336 0.331 1.00 0.00 C ATOM 75 N1 DC A 3 3.336 -3.396 -1.083 1.00 0.00 N ATOM 76 C2 DC A 3 2.008 -3.160 -1.436 1.00 0.00 C ATOM 77 O2 DC A 3 1.129 -3.107 -0.598 1.00 0.00 O ATOM 78 N3 DC A 3 1.642 -2.911 -2.714 1.00 0.00 N ATOM 79 C4 DC A 3 2.586 -2.928 -3.629 1.00 0.00 C ATOM 80 N4 DC A 3 2.252 -2.581 -4.844 1.00 0.00 N ATOM 81 C5 DC A 3 3.941 -3.240 -3.337 1.00 0.00 C ATOM 82 C6 DC A 3 4.279 -3.489 -2.057 1.00 0.00 C ATOM 0 H5' DC A 3 6.811 -0.939 1.359 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.531 -2.199 2.341 1.00 0.00 H new ATOM 0 H4' DC A 3 5.194 -2.349 2.500 1.00 0.00 H new ATOM 0 H3' DC A 3 6.577 -4.630 1.313 1.00 0.00 H new ATOM 0 H2' DC A 3 4.693 -5.262 -0.057 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.690 -5.232 1.380 1.00 0.00 H new ATOM 0 H1' DC A 3 2.899 -3.111 0.939 1.00 0.00 H new ATOM 0 H41 DC A 3 2.953 -2.580 -5.585 1.00 0.00 H new ATOM 0 H42 DC A 3 1.290 -2.311 -5.051 1.00 0.00 H new ATOM 0 H5 DC A 3 4.682 -3.277 -4.122 1.00 0.00 H new ATOM 0 H6 DC A 3 5.294 -3.761 -1.806 1.00 0.00 H new ATOM 94 P DT A 4 6.508 -5.014 4.021 1.00 0.00 P ATOM 95 OP1 DT A 4 7.655 -4.103 3.855 1.00 0.00 O ATOM 96 OP2 DT A 4 6.730 -6.470 4.088 1.00 0.00 O ATOM 97 O5' DT A 4 5.799 -4.568 5.381 1.00 0.00 O ATOM 98 C5' DT A 4 5.253 -3.271 5.575 1.00 0.00 C ATOM 99 C4' DT A 4 3.933 -3.392 6.349 1.00 0.00 C ATOM 100 O4' DT A 4 2.854 -3.509 5.473 1.00 0.00 O ATOM 101 C3' DT A 4 3.805 -4.586 7.302 1.00 0.00 C ATOM 102 O3' DT A 4 4.311 -4.381 8.612 1.00 0.00 O ATOM 103 C2' DT A 4 2.292 -4.683 7.400 1.00 0.00 C ATOM 104 C1' DT A 4 1.735 -3.828 6.274 1.00 0.00 C ATOM 105 N1 DT A 4 0.699 -4.547 5.506 1.00 0.00 N ATOM 106 C2 DT A 4 -0.539 -4.807 6.101 1.00 0.00 C ATOM 107 O2 DT A 4 -0.796 -4.564 7.275 1.00 0.00 O ATOM 108 N3 DT A 4 -1.495 -5.399 5.303 1.00 0.00 N ATOM 109 C4 DT A 4 -1.340 -5.738 3.973 1.00 0.00 C ATOM 110 O4 DT A 4 -2.299 -6.222 3.379 1.00 0.00 O ATOM 111 C5 DT A 4 -0.007 -5.462 3.431 1.00 0.00 C ATOM 112 C7 DT A 4 0.331 -5.750 1.987 1.00 0.00 C ATOM 113 C6 DT A 4 0.951 -4.903 4.211 1.00 0.00 C ATOM 0 H5' DT A 4 5.082 -2.787 4.613 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.956 -2.646 6.126 1.00 0.00 H new ATOM 0 H4' DT A 4 3.930 -2.479 6.944 1.00 0.00 H new ATOM 0 H3' DT A 4 4.362 -5.448 6.935 1.00 0.00 H new ATOM 0 H2' DT A 4 1.962 -5.717 7.303 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.942 -4.326 8.369 1.00 0.00 H new ATOM 0 H1' DT A 4 1.239 -2.933 6.650 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.397 -5.605 5.733 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.264 -6.593 1.635 1.00 0.00 H new ATOM 0 H72 DT A 4 0.111 -4.872 1.380 1.00 0.00 H new ATOM 0 H73 DT A 4 1.390 -5.993 1.903 1.00 0.00 H new ATOM 0 H6 DT A 4 1.935 -4.735 3.799 1.00 0.00 H new ATOM 126 P DT A 5 5.867 -4.544 8.999 1.00 0.00 P ATOM 127 OP1 DT A 5 6.502 -5.591 8.169 1.00 0.00 O ATOM 128 OP2 DT A 5 5.990 -4.581 10.467 1.00 0.00 O ATOM 129 O5' DT A 5 6.521 -3.179 8.482 1.00 0.00 O ATOM 130 C5' DT A 5 6.140 -1.931 9.019 1.00 0.00 C ATOM 131 C4' DT A 5 7.129 -0.880 8.510 1.00 0.00 C ATOM 132 O4' DT A 5 6.642 0.429 8.713 1.00 0.00 O ATOM 133 C3' DT A 5 8.493 -0.949 9.225 1.00 0.00 C ATOM 134 O3' DT A 5 9.602 -0.698 8.383 1.00 0.00 O ATOM 135 C2' DT A 5 8.473 0.208 10.220 1.00 0.00 C ATOM 136 C1' DT A 5 7.160 0.935 9.925 1.00 0.00 C ATOM 137 N1 DT A 5 6.095 0.876 10.955 1.00 0.00 N ATOM 138 C2 DT A 5 5.094 1.849 10.856 1.00 0.00 C ATOM 139 O2 DT A 5 5.075 2.730 10.004 1.00 0.00 O ATOM 140 N3 DT A 5 4.090 1.815 11.793 1.00 0.00 N ATOM 141 C4 DT A 5 4.013 0.942 12.855 1.00 0.00 C ATOM 142 O4 DT A 5 3.069 1.059 13.626 1.00 0.00 O ATOM 143 C5 DT A 5 5.100 -0.032 12.921 1.00 0.00 C ATOM 144 C7 DT A 5 5.161 -1.055 14.034 1.00 0.00 C ATOM 145 C6 DT A 5 6.085 -0.039 11.986 1.00 0.00 C ATOM 0 H5' DT A 5 6.147 -1.966 10.108 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.124 -1.678 8.715 1.00 0.00 H new ATOM 0 H4' DT A 5 7.249 -1.101 7.449 1.00 0.00 H new ATOM 0 H3' DT A 5 8.609 -1.950 9.641 1.00 0.00 H new ATOM 0 H2' DT A 5 8.507 -0.151 11.249 1.00 0.00 H new ATOM 0 H2'' DT A 5 9.332 0.866 10.083 1.00 0.00 H new ATOM 0 H1' DT A 5 7.434 1.989 9.890 1.00 0.00 H new ATOM 0 H3 DT A 5 3.336 2.495 11.693 1.00 0.00 H new ATOM 0 H71 DT A 5 5.651 -1.959 13.671 1.00 0.00 H new ATOM 0 H72 DT A 5 5.726 -0.648 14.872 1.00 0.00 H new ATOM 0 H73 DT A 5 4.150 -1.297 14.362 1.00 0.00 H new ATOM 0 H6 DT A 5 6.874 -0.774 12.051 1.00 0.00 H new ATOM 158 P DC A 6 10.063 -1.694 7.209 1.00 0.00 P ATOM 159 OP1 DC A 6 9.682 -3.081 7.571 1.00 0.00 O ATOM 160 OP2 DC A 6 11.450 -1.358 6.825 1.00 0.00 O ATOM 161 O5' DC A 6 9.113 -1.269 5.992 1.00 0.00 O ATOM 162 C5' DC A 6 8.992 0.085 5.604 1.00 0.00 C ATOM 163 C4' DC A 6 7.969 0.227 4.478 1.00 0.00 C ATOM 164 O4' DC A 6 6.720 -0.303 4.841 1.00 0.00 O ATOM 165 C3' DC A 6 7.747 1.704 4.158 1.00 0.00 C ATOM 166 O3' DC A 6 8.495 2.035 3.006 1.00 0.00 O ATOM 167 C2' DC A 6 6.240 1.816 3.976 1.00 0.00 C ATOM 168 C1' DC A 6 5.743 0.383 4.095 1.00 0.00 C ATOM 169 N1 DC A 6 4.498 0.285 4.875 1.00 0.00 N ATOM 170 C2 DC A 6 3.357 -0.266 4.299 1.00 0.00 C ATOM 171 O2 DC A 6 3.333 -0.631 3.124 1.00 0.00 O ATOM 172 N3 DC A 6 2.248 -0.436 5.054 1.00 0.00 N ATOM 173 C4 DC A 6 2.263 -0.070 6.326 1.00 0.00 C ATOM 174 N4 DC A 6 1.182 -0.334 7.009 1.00 0.00 N ATOM 175 C5 DC A 6 3.418 0.458 6.970 1.00 0.00 C ATOM 176 C6 DC A 6 4.520 0.627 6.201 1.00 0.00 C ATOM 0 H5' DC A 6 9.960 0.463 5.275 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.688 0.689 6.459 1.00 0.00 H new ATOM 0 H4' DC A 6 8.367 -0.315 3.620 1.00 0.00 H new ATOM 0 H3' DC A 6 8.081 2.402 4.926 1.00 0.00 H new ATOM 0 H2' DC A 6 5.793 2.457 4.736 1.00 0.00 H new ATOM 0 H2'' DC A 6 5.987 2.246 3.007 1.00 0.00 H new ATOM 0 H1' DC A 6 5.565 -0.012 3.095 1.00 0.00 H new ATOM 0 H41 DC A 6 1.127 -0.079 7.995 1.00 0.00 H new ATOM 0 H42 DC A 6 0.393 -0.796 6.557 1.00 0.00 H new ATOM 0 H5 DC A 6 3.415 0.711 8.020 1.00 0.00 H new ATOM 0 H6 DC A 6 5.421 1.034 6.636 1.00 0.00 H new ATOM 188 P DG A 7 8.656 3.552 2.496 1.00 0.00 P ATOM 189 OP1 DG A 7 9.825 3.574 1.584 1.00 0.00 O ATOM 190 OP2 DG A 7 8.646 4.426 3.688 1.00 0.00 O ATOM 191 O5' DG A 7 7.285 3.799 1.680 1.00 0.00 O ATOM 192 C5' DG A 7 6.984 3.161 0.444 1.00 0.00 C ATOM 193 C4' DG A 7 5.545 3.496 0.000 1.00 0.00 C ATOM 194 O4' DG A 7 4.661 2.707 0.771 1.00 0.00 O ATOM 195 C3' DG A 7 5.138 4.973 0.209 1.00 0.00 C ATOM 196 O3' DG A 7 5.041 5.823 -0.936 1.00 0.00 O ATOM 197 C2' DG A 7 3.724 4.856 0.754 1.00 0.00 C ATOM 198 C1' DG A 7 3.420 3.362 0.796 1.00 0.00 C ATOM 199 N9 DG A 7 2.758 3.013 2.059 1.00 0.00 N ATOM 200 C8 DG A 7 3.230 3.258 3.314 1.00 0.00 C ATOM 201 N7 DG A 7 2.406 2.936 4.272 1.00 0.00 N ATOM 202 C5 DG A 7 1.284 2.455 3.582 1.00 0.00 C ATOM 203 C6 DG A 7 0.001 2.000 4.041 1.00 0.00 C ATOM 204 O6 DG A 7 -0.414 1.886 5.191 1.00 0.00 O ATOM 205 N1 DG A 7 -0.876 1.697 3.010 1.00 0.00 N ATOM 206 C2 DG A 7 -0.533 1.691 1.692 1.00 0.00 C ATOM 207 N2 DG A 7 -1.447 1.301 0.828 1.00 0.00 N ATOM 208 N3 DG A 7 0.648 2.104 1.240 1.00 0.00 N ATOM 209 C4 DG A 7 1.506 2.485 2.225 1.00 0.00 C ATOM 0 H5' DG A 7 7.097 2.082 0.548 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.691 3.483 -0.320 1.00 0.00 H new ATOM 0 H4' DG A 7 5.496 3.297 -1.071 1.00 0.00 H new ATOM 0 H3' DG A 7 5.914 5.435 0.819 1.00 0.00 H new ATOM 0 H2' DG A 7 3.649 5.299 1.747 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.014 5.382 0.116 1.00 0.00 H new ATOM 0 H1' DG A 7 2.774 3.081 -0.036 1.00 0.00 H new ATOM 0 H8 DG A 7 4.205 3.683 3.500 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.838 1.464 3.254 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.231 1.282 -0.169 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.371 1.018 1.156 1.00 0.00 H new ATOM 221 P DT A 8 6.081 5.841 -2.169 1.00 0.00 P ATOM 222 OP1 DT A 8 7.420 5.432 -1.711 1.00 0.00 O ATOM 223 OP2 DT A 8 5.930 7.102 -2.931 1.00 0.00 O ATOM 224 O5' DT A 8 5.433 4.655 -3.046 1.00 0.00 O ATOM 225 C5' DT A 8 6.205 3.705 -3.765 1.00 0.00 C ATOM 226 C4' DT A 8 5.580 3.506 -5.156 1.00 0.00 C ATOM 227 O4' DT A 8 4.260 3.014 -5.025 1.00 0.00 O ATOM 228 C3' DT A 8 5.496 4.823 -5.943 1.00 0.00 C ATOM 229 O3' DT A 8 6.525 4.968 -6.911 1.00 0.00 O ATOM 230 C2' DT A 8 4.166 4.727 -6.669 1.00 0.00 C ATOM 231 C1' DT A 8 3.417 3.572 -6.019 1.00 0.00 C ATOM 232 N1 DT A 8 2.166 4.080 -5.413 1.00 0.00 N ATOM 233 C2 DT A 8 1.030 4.202 -6.218 1.00 0.00 C ATOM 234 O2 DT A 8 0.997 3.888 -7.403 1.00 0.00 O ATOM 235 N3 DT A 8 -0.094 4.744 -5.625 1.00 0.00 N ATOM 236 C4 DT A 8 -0.194 5.161 -4.311 1.00 0.00 C ATOM 237 O4 DT A 8 -1.278 5.572 -3.911 1.00 0.00 O ATOM 238 C5 DT A 8 1.047 5.044 -3.549 1.00 0.00 C ATOM 239 C7 DT A 8 1.132 5.464 -2.106 1.00 0.00 C ATOM 240 C6 DT A 8 2.164 4.532 -4.121 1.00 0.00 C ATOM 0 H5' DT A 8 6.235 2.758 -3.226 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.235 4.050 -3.860 1.00 0.00 H new ATOM 0 H4' DT A 8 6.220 2.803 -5.690 1.00 0.00 H new ATOM 0 H3' DT A 8 5.597 5.674 -5.269 1.00 0.00 H new ATOM 0 H2' DT A 8 3.604 5.657 -6.579 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.314 4.546 -7.734 1.00 0.00 H new ATOM 0 HO3' DT A 8 6.416 5.823 -7.378 1.00 0.00 H new ATOM 0 H1' DT A 8 3.157 2.810 -6.754 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.924 4.845 -6.209 1.00 0.00 H new ATOM 0 H71 DT A 8 0.429 6.277 -1.922 1.00 0.00 H new ATOM 0 H72 DT A 8 0.884 4.618 -1.465 1.00 0.00 H new ATOM 0 H73 DT A 8 2.144 5.802 -1.885 1.00 0.00 H new ATOM 0 H6 DT A 8 3.075 4.479 -3.543 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -8.744 3.145 -7.920 1.00 0.00 O ATOM 256 C5' DT B 9 -9.803 2.344 -8.445 1.00 0.00 C ATOM 257 C4' DT B 9 -9.261 1.124 -9.190 1.00 0.00 C ATOM 258 O4' DT B 9 -8.582 1.577 -10.331 1.00 0.00 O ATOM 259 C3' DT B 9 -8.249 0.344 -8.346 1.00 0.00 C ATOM 260 O3' DT B 9 -8.470 -1.050 -8.424 1.00 0.00 O ATOM 261 C2' DT B 9 -6.924 0.662 -9.002 1.00 0.00 C ATOM 262 C1' DT B 9 -7.376 0.863 -10.447 1.00 0.00 C ATOM 263 N1 DT B 9 -6.394 1.594 -11.279 1.00 0.00 N ATOM 264 C2 DT B 9 -6.825 2.394 -12.358 1.00 0.00 C ATOM 265 O2 DT B 9 -7.982 2.591 -12.709 1.00 0.00 O ATOM 266 N3 DT B 9 -5.850 2.973 -13.125 1.00 0.00 N ATOM 267 C4 DT B 9 -4.495 2.780 -12.993 1.00 0.00 C ATOM 268 O4 DT B 9 -3.751 3.315 -13.804 1.00 0.00 O ATOM 269 C5 DT B 9 -4.111 1.921 -11.874 1.00 0.00 C ATOM 270 C7 DT B 9 -2.656 1.614 -11.603 1.00 0.00 C ATOM 271 C6 DT B 9 -5.051 1.374 -11.068 1.00 0.00 C ATOM 0 H5' DT B 9 -10.414 2.943 -9.120 1.00 0.00 H new ATOM 0 H5'' DT B 9 -10.452 2.018 -7.632 1.00 0.00 H new ATOM 0 H4' DT B 9 -10.102 0.473 -9.430 1.00 0.00 H new ATOM 0 H3' DT B 9 -8.309 0.614 -7.292 1.00 0.00 H new ATOM 0 H2' DT B 9 -6.457 1.554 -8.585 1.00 0.00 H new ATOM 0 H2'' DT B 9 -6.205 -0.151 -8.901 1.00 0.00 H new ATOM 0 HO5' DT B 9 -9.121 3.918 -7.451 1.00 0.00 H new ATOM 0 H1' DT B 9 -7.488 -0.093 -10.959 1.00 0.00 H new ATOM 0 H3 DT B 9 -6.157 3.606 -13.863 1.00 0.00 H new ATOM 0 H71 DT B 9 -2.511 1.451 -10.535 1.00 0.00 H new ATOM 0 H72 DT B 9 -2.366 0.717 -12.149 1.00 0.00 H new ATOM 0 H73 DT B 9 -2.040 2.452 -11.929 1.00 0.00 H new ATOM 0 H6 DT B 9 -4.741 0.752 -10.242 1.00 0.00 H new ATOM 285 P DG B 10 -9.675 -1.730 -7.597 1.00 0.00 P ATOM 286 OP1 DG B 10 -9.586 -3.199 -7.748 1.00 0.00 O ATOM 287 OP2 DG B 10 -10.930 -1.013 -7.902 1.00 0.00 O ATOM 288 O5' DG B 10 -9.221 -1.338 -6.108 1.00 0.00 O ATOM 289 C5' DG B 10 -7.959 -1.729 -5.615 1.00 0.00 C ATOM 290 C4' DG B 10 -7.779 -1.248 -4.178 1.00 0.00 C ATOM 291 O4' DG B 10 -6.492 -1.580 -3.706 1.00 0.00 O ATOM 292 C3' DG B 10 -7.994 0.240 -3.919 1.00 0.00 C ATOM 293 O3' DG B 10 -8.455 0.411 -2.575 1.00 0.00 O ATOM 294 C2' DG B 10 -6.579 0.737 -4.142 1.00 0.00 C ATOM 295 C1' DG B 10 -5.704 -0.416 -3.641 1.00 0.00 C ATOM 296 N9 DG B 10 -4.523 -0.658 -4.478 1.00 0.00 N ATOM 297 C8 DG B 10 -4.484 -0.706 -5.836 1.00 0.00 C ATOM 298 N7 DG B 10 -3.327 -1.046 -6.335 1.00 0.00 N ATOM 299 C5 DG B 10 -2.544 -1.291 -5.194 1.00 0.00 C ATOM 300 C6 DG B 10 -1.192 -1.766 -5.027 1.00 0.00 C ATOM 301 O6 DG B 10 -0.337 -2.075 -5.854 1.00 0.00 O ATOM 302 N1 DG B 10 -0.826 -1.901 -3.704 1.00 0.00 N ATOM 303 C2 DG B 10 -1.607 -1.551 -2.656 1.00 0.00 C ATOM 304 N2 DG B 10 -1.070 -1.715 -1.474 1.00 0.00 N ATOM 305 N3 DG B 10 -2.855 -1.102 -2.756 1.00 0.00 N ATOM 306 C4 DG B 10 -3.272 -1.015 -4.054 1.00 0.00 C ATOM 0 H5' DG B 10 -7.171 -1.316 -6.245 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.865 -2.814 -5.657 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.576 -1.766 -3.645 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.733 0.759 -4.530 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.392 0.953 -5.194 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.386 1.656 -3.588 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.357 -0.162 -2.639 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.342 -0.481 -6.453 1.00 0.00 H new ATOM 0 H1 DG B 10 0.095 -2.291 -3.502 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.598 -1.473 -0.636 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.123 -2.085 -1.391 1.00 0.00 H new ATOM 318 P DC B 11 -8.815 1.859 -1.969 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.671 1.604 -0.779 1.00 0.00 O ATOM 320 OP2 DC B 11 -9.320 2.709 -3.058 1.00 0.00 O ATOM 321 O5' DC B 11 -7.410 2.441 -1.467 1.00 0.00 O ATOM 322 C5' DC B 11 -6.788 1.978 -0.281 1.00 0.00 C ATOM 323 C4' DC B 11 -5.459 2.696 -0.019 1.00 0.00 C ATOM 324 O4' DC B 11 -4.485 2.127 -0.859 1.00 0.00 O ATOM 325 C3' DC B 11 -5.452 4.210 -0.282 1.00 0.00 C ATOM 326 O3' DC B 11 -5.529 4.996 0.894 1.00 0.00 O ATOM 327 C2' DC B 11 -4.067 4.436 -0.890 1.00 0.00 C ATOM 328 C1' DC B 11 -3.435 3.056 -0.972 1.00 0.00 C ATOM 329 N1 DC B 11 -2.774 2.808 -2.273 1.00 0.00 N ATOM 330 C2 DC B 11 -1.400 2.552 -2.354 1.00 0.00 C ATOM 331 O2 DC B 11 -0.669 2.656 -1.381 1.00 0.00 O ATOM 332 N3 DC B 11 -0.836 2.102 -3.498 1.00 0.00 N ATOM 333 C4 DC B 11 -1.620 1.939 -4.542 1.00 0.00 C ATOM 334 N4 DC B 11 -1.083 1.407 -5.603 1.00 0.00 N ATOM 335 C5 DC B 11 -3.014 2.223 -4.526 1.00 0.00 C ATOM 336 C6 DC B 11 -3.560 2.658 -3.375 1.00 0.00 C ATOM 0 H5' DC B 11 -6.613 0.905 -0.357 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.458 2.132 0.565 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.266 2.569 1.046 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.308 4.496 -0.893 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.140 4.894 -1.876 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.470 5.106 -0.271 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.682 2.972 -0.188 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.647 1.258 -6.440 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.099 1.139 -5.597 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.617 2.093 -5.412 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.614 2.887 -3.326 1.00 0.00 H new ATOM 348 P DT B 12 -6.908 5.326 1.668 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.962 4.343 1.317 1.00 0.00 O ATOM 350 OP2 DT B 12 -7.193 6.768 1.546 1.00 0.00 O ATOM 351 O5' DT B 12 -6.439 5.054 3.176 1.00 0.00 O ATOM 352 C5' DT B 12 -6.150 3.752 3.663 1.00 0.00 C ATOM 353 C4' DT B 12 -5.054 3.786 4.733 1.00 0.00 C ATOM 354 O4' DT B 12 -3.773 3.724 4.183 1.00 0.00 O ATOM 355 C3' DT B 12 -5.030 5.042 5.604 1.00 0.00 C ATOM 356 O3' DT B 12 -6.054 5.201 6.581 1.00 0.00 O ATOM 357 C2' DT B 12 -3.627 4.969 6.174 1.00 0.00 C ATOM 358 C1' DT B 12 -2.858 4.078 5.210 1.00 0.00 C ATOM 359 N1 DT B 12 -1.686 4.791 4.648 1.00 0.00 N ATOM 360 C2 DT B 12 -0.603 5.098 5.475 1.00 0.00 C ATOM 361 O2 DT B 12 -0.586 4.898 6.683 1.00 0.00 O ATOM 362 N3 DT B 12 0.488 5.681 4.870 1.00 0.00 N ATOM 363 C4 DT B 12 0.616 5.962 3.525 1.00 0.00 C ATOM 364 O4 DT B 12 1.667 6.453 3.126 1.00 0.00 O ATOM 365 C5 DT B 12 -0.561 5.623 2.722 1.00 0.00 C ATOM 366 C7 DT B 12 -0.563 5.799 1.217 1.00 0.00 C ATOM 367 C6 DT B 12 -1.661 5.089 3.312 1.00 0.00 C ATOM 0 H5' DT B 12 -5.835 3.115 2.837 1.00 0.00 H new ATOM 0 H5'' DT B 12 -7.054 3.309 4.080 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.306 2.914 5.337 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.255 5.937 5.023 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.176 5.959 6.242 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.631 4.551 7.181 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.470 3.194 5.717 1.00 0.00 H new ATOM 0 H3 DT B 12 1.274 5.928 5.471 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.223 5.058 0.765 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.916 6.800 0.968 1.00 0.00 H new ATOM 0 H73 DT B 12 0.449 5.666 0.834 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.538 4.894 2.713 1.00 0.00 H new ATOM 380 P DT B 13 -6.773 4.002 7.461 1.00 0.00 P ATOM 381 OP1 DT B 13 -6.254 3.988 8.836 1.00 0.00 O ATOM 382 OP2 DT B 13 -6.935 2.689 6.773 1.00 0.00 O ATOM 383 O5' DT B 13 -8.249 4.590 7.517 1.00 0.00 O ATOM 384 C5' DT B 13 -8.695 5.451 6.479 1.00 0.00 C ATOM 385 C4' DT B 13 -10.126 5.143 6.084 1.00 0.00 C ATOM 386 O4' DT B 13 -10.979 6.260 6.289 1.00 0.00 O ATOM 387 C3' DT B 13 -10.221 4.757 4.604 1.00 0.00 C ATOM 388 O3' DT B 13 -10.989 3.576 4.606 1.00 0.00 O ATOM 389 C2' DT B 13 -10.899 5.983 3.980 1.00 0.00 C ATOM 390 C1' DT B 13 -10.977 7.025 5.097 1.00 0.00 C ATOM 391 N1 DT B 13 -9.923 8.088 5.170 1.00 0.00 N ATOM 392 C2 DT B 13 -10.232 9.175 6.003 1.00 0.00 C ATOM 393 O2 DT B 13 -11.324 9.359 6.535 1.00 0.00 O ATOM 394 N3 DT B 13 -9.261 10.129 6.183 1.00 0.00 N ATOM 395 C4 DT B 13 -8.034 10.139 5.572 1.00 0.00 C ATOM 396 O4 DT B 13 -7.278 11.067 5.830 1.00 0.00 O ATOM 397 C5 DT B 13 -7.788 9.033 4.653 1.00 0.00 C ATOM 398 C7 DT B 13 -6.474 8.965 3.894 1.00 0.00 C ATOM 399 C6 DT B 13 -8.718 8.053 4.476 1.00 0.00 C ATOM 0 H5' DT B 13 -8.045 5.344 5.611 1.00 0.00 H new ATOM 0 H5'' DT B 13 -8.621 6.488 6.807 1.00 0.00 H new ATOM 0 H4' DT B 13 -10.443 4.313 6.715 1.00 0.00 H new ATOM 0 H3' DT B 13 -9.306 4.546 4.050 1.00 0.00 H new ATOM 0 H2' DT B 13 -10.325 6.359 3.133 1.00 0.00 H new ATOM 0 H2'' DT B 13 -11.892 5.734 3.607 1.00 0.00 H new ATOM 0 H1' DT B 13 -11.865 7.629 4.908 1.00 0.00 H new ATOM 0 H3 DT B 13 -9.470 10.894 6.825 1.00 0.00 H new ATOM 0 H71 DT B 13 -6.217 7.923 3.703 1.00 0.00 H new ATOM 0 H72 DT B 13 -6.574 9.493 2.946 1.00 0.00 H new ATOM 0 H73 DT B 13 -5.687 9.430 4.487 1.00 0.00 H new ATOM 0 H6 DT B 13 -8.518 7.242 3.791 1.00 0.00 H new ATOM 412 P DC B 14 -11.423 2.809 3.295 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.713 3.770 2.206 1.00 0.00 O ATOM 414 OP2 DC B 14 -12.446 1.861 3.773 1.00 0.00 O ATOM 415 O5' DC B 14 -10.184 1.990 2.708 1.00 0.00 O ATOM 416 C5' DC B 14 -9.821 0.728 3.204 1.00 0.00 C ATOM 417 C4' DC B 14 -8.585 0.291 2.429 1.00 0.00 C ATOM 418 O4' DC B 14 -7.414 0.800 3.009 1.00 0.00 O ATOM 419 C3' DC B 14 -8.428 -1.219 2.298 1.00 0.00 C ATOM 420 O3' DC B 14 -8.857 -1.538 0.984 1.00 0.00 O ATOM 421 C2' DC B 14 -6.945 -1.453 2.536 1.00 0.00 C ATOM 422 C1' DC B 14 -6.362 -0.049 2.620 1.00 0.00 C ATOM 423 N1 DC B 14 -5.337 0.062 3.668 1.00 0.00 N ATOM 424 C2 DC B 14 -4.050 0.470 3.333 1.00 0.00 C ATOM 425 O2 DC B 14 -3.727 0.699 2.167 1.00 0.00 O ATOM 426 N3 DC B 14 -3.130 0.645 4.306 1.00 0.00 N ATOM 427 C4 DC B 14 -3.471 0.424 5.564 1.00 0.00 C ATOM 428 N4 DC B 14 -2.557 0.707 6.453 1.00 0.00 N ATOM 429 C5 DC B 14 -4.780 0.031 5.960 1.00 0.00 C ATOM 430 C6 DC B 14 -5.695 -0.133 4.974 1.00 0.00 C ATOM 0 H5' DC B 14 -10.633 0.013 3.073 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.610 0.778 4.272 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.736 0.699 1.429 1.00 0.00 H new ATOM 0 H3' DC B 14 -9.003 -1.837 2.988 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.771 -2.013 3.455 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.495 -2.025 1.724 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.915 0.201 1.658 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.748 0.562 7.445 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.652 1.073 6.156 1.00 0.00 H new ATOM 0 H5 DC B 14 -5.032 -0.129 6.998 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.707 -0.418 5.219 1.00 0.00 H new ATOM 442 P DG B 15 -9.047 -3.044 0.468 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.800 -2.865 -0.796 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.603 -3.842 1.577 1.00 0.00 O ATOM 445 O5' DG B 15 -7.542 -3.497 0.161 1.00 0.00 O ATOM 446 C5' DG B 15 -6.818 -3.016 -0.960 1.00 0.00 C ATOM 447 C4' DG B 15 -5.342 -3.419 -0.875 1.00 0.00 C ATOM 448 O4' DG B 15 -4.680 -2.605 0.069 1.00 0.00 O ATOM 449 C3' DG B 15 -5.090 -4.879 -0.450 1.00 0.00 C ATOM 450 O3' DG B 15 -4.857 -5.799 -1.518 1.00 0.00 O ATOM 451 C2' DG B 15 -3.811 -4.766 0.371 1.00 0.00 C ATOM 452 C1' DG B 15 -3.492 -3.273 0.414 1.00 0.00 C ATOM 453 N9 DG B 15 -3.106 -2.868 1.772 1.00 0.00 N ATOM 454 C8 DG B 15 -3.851 -3.027 2.904 1.00 0.00 C ATOM 455 N7 DG B 15 -3.226 -2.706 4.003 1.00 0.00 N ATOM 456 C5 DG B 15 -1.960 -2.303 3.554 1.00 0.00 C ATOM 457 C6 DG B 15 -0.788 -1.865 4.257 1.00 0.00 C ATOM 458 O6 DG B 15 -0.615 -1.717 5.464 1.00 0.00 O ATOM 459 N1 DG B 15 0.293 -1.613 3.428 1.00 0.00 N ATOM 460 C2 DG B 15 0.249 -1.682 2.068 1.00 0.00 C ATOM 461 N2 DG B 15 1.355 -1.383 1.416 1.00 0.00 N ATOM 462 N3 DG B 15 -0.826 -2.084 1.388 1.00 0.00 N ATOM 463 C4 DG B 15 -1.891 -2.387 2.182 1.00 0.00 C ATOM 0 H5' DG B 15 -6.900 -1.930 -1.012 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.255 -3.412 -1.877 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.964 -3.296 -1.890 1.00 0.00 H new ATOM 0 H3' DG B 15 -5.969 -5.275 0.058 1.00 0.00 H new ATOM 0 H2' DG B 15 -3.951 -5.168 1.375 1.00 0.00 H new ATOM 0 H2'' DG B 15 -2.998 -5.329 -0.087 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.670 -3.038 -0.262 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.869 -3.387 2.891 1.00 0.00 H new ATOM 0 H1 DG B 15 1.179 -1.359 3.864 1.00 0.00 H new ATOM 0 H21 DG B 15 1.372 -1.420 0.397 1.00 0.00 H new ATOM 0 H22 DG B 15 2.194 -1.115 1.931 1.00 0.00 H new ATOM 475 P DT B 16 -5.991 -6.213 -2.610 1.00 0.00 P ATOM 476 OP1 DT B 16 -7.316 -6.185 -1.965 1.00 0.00 O ATOM 477 OP2 DT B 16 -5.569 -7.428 -3.346 1.00 0.00 O ATOM 478 O5' DT B 16 -5.945 -5.008 -3.684 1.00 0.00 O ATOM 479 C5' DT B 16 -4.731 -4.391 -4.086 1.00 0.00 C ATOM 480 C4' DT B 16 -4.132 -4.857 -5.408 1.00 0.00 C ATOM 481 O4' DT B 16 -2.883 -4.202 -5.555 1.00 0.00 O ATOM 482 C3' DT B 16 -3.844 -6.357 -5.512 1.00 0.00 C ATOM 483 O3' DT B 16 -4.944 -7.073 -6.033 1.00 0.00 O ATOM 484 C2' DT B 16 -2.617 -6.389 -6.408 1.00 0.00 C ATOM 485 C1' DT B 16 -1.907 -5.070 -6.103 1.00 0.00 C ATOM 486 N1 DT B 16 -0.798 -5.291 -5.138 1.00 0.00 N ATOM 487 C2 DT B 16 0.472 -5.572 -5.649 1.00 0.00 C ATOM 488 O2 DT B 16 0.757 -5.511 -6.841 1.00 0.00 O ATOM 489 N3 DT B 16 1.432 -5.978 -4.745 1.00 0.00 N ATOM 490 C4 DT B 16 1.248 -6.133 -3.385 1.00 0.00 C ATOM 491 O4 DT B 16 2.198 -6.511 -2.710 1.00 0.00 O ATOM 492 C5 DT B 16 -0.097 -5.807 -2.916 1.00 0.00 C ATOM 493 C7 DT B 16 -0.480 -5.943 -1.459 1.00 0.00 C ATOM 494 C6 DT B 16 -1.046 -5.393 -3.790 1.00 0.00 C ATOM 0 H5' DT B 16 -3.991 -4.552 -3.302 1.00 0.00 H new ATOM 0 H5'' DT B 16 -4.900 -3.316 -4.149 1.00 0.00 H new ATOM 0 H4' DT B 16 -4.874 -4.624 -6.172 1.00 0.00 H new ATOM 0 H3' DT B 16 -3.672 -6.844 -4.552 1.00 0.00 H new ATOM 0 H2' DT B 16 -1.981 -7.246 -6.185 1.00 0.00 H new ATOM 0 H2'' DT B 16 -2.892 -6.461 -7.460 1.00 0.00 H new ATOM 0 HO3' DT B 16 -5.474 -7.441 -5.295 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.468 -4.641 -7.004 1.00 0.00 H new ATOM 0 H3 DT B 16 2.361 -6.182 -5.114 1.00 0.00 H new ATOM 0 H71 DT B 16 -1.248 -5.209 -1.215 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.866 -6.946 -1.276 1.00 0.00 H new ATOM 0 H73 DT B 16 0.397 -5.772 -0.835 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.026 -5.136 -3.416 1.00 0.00 H new TER 508 DT B 16