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 24:sc= 0.00457 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) 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= 0.0102 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) 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 -6.322 9.739 -11.006 1.00 10.00 O ATOM 2 C5' DA A 1 -7.705 9.469 -10.917 1.00 10.00 C ATOM 3 C4' DA A 1 -7.959 8.137 -10.205 1.00 10.00 C ATOM 4 O4' DA A 1 -7.308 7.069 -10.871 1.00 10.00 O ATOM 5 C3' DA A 1 -7.424 8.105 -8.774 1.00 10.00 C ATOM 6 O3' DA A 1 -8.339 8.703 -7.873 1.00 10.00 O ATOM 7 C2' DA A 1 -7.253 6.606 -8.547 1.00 10.00 C ATOM 8 C1' DA A 1 -7.125 6.007 -9.947 1.00 10.00 C ATOM 9 N9 DA A 1 -5.808 5.372 -10.126 1.00 10.00 N ATOM 10 C8 DA A 1 -4.634 5.991 -10.425 1.00 10.00 C ATOM 11 N7 DA A 1 -3.617 5.189 -10.578 1.00 10.00 N ATOM 12 C5 DA A 1 -4.165 3.932 -10.343 1.00 10.00 C ATOM 13 C6 DA A 1 -3.623 2.629 -10.347 1.00 10.00 C ATOM 14 N6 DA A 1 -2.343 2.370 -10.641 1.00 10.00 N ATOM 15 N1 DA A 1 -4.434 1.601 -10.030 1.00 10.00 N ATOM 16 C2 DA A 1 -5.710 1.844 -9.736 1.00 10.00 C ATOM 17 N3 DA A 1 -6.341 3.016 -9.710 1.00 10.00 N ATOM 18 C4 DA A 1 -5.500 4.036 -10.031 1.00 10.00 C ATOM 0 H5' DA A 1 -8.139 9.440 -11.917 1.00 10.00 H new ATOM 0 H5'' DA A 1 -8.203 10.275 -10.377 1.00 10.00 H new ATOM 0 H4' DA A 1 -9.044 8.031 -10.207 1.00 10.00 H new ATOM 0 H3' DA A 1 -6.503 8.667 -8.616 1.00 10.00 H new ATOM 0 H2' DA A 1 -6.369 6.396 -7.945 1.00 10.00 H new ATOM 0 H2'' DA A 1 -8.107 6.187 -8.015 1.00 10.00 H new ATOM 0 HO5' DA A 1 -5.821 8.898 -10.961 1.00 10.00 H new ATOM 0 H1' DA A 1 -7.872 5.229 -10.105 1.00 10.00 H new ATOM 0 H8 DA A 1 -4.551 7.063 -10.528 1.00 10.00 H new ATOM 0 H61 DA A 1 -2.001 1.409 -10.629 1.00 10.00 H new ATOM 0 H62 DA A 1 -1.709 3.134 -10.877 1.00 10.00 H new ATOM 0 H2 DA A 1 -6.309 0.981 -9.487 1.00 10.00 H new ATOM 31 P DT A 2 -7.940 9.029 -6.340 1.00 10.00 P ATOM 32 OP1 DT A 2 -9.059 9.778 -5.726 1.00 10.00 O ATOM 33 OP2 DT A 2 -6.579 9.611 -6.333 1.00 10.00 O ATOM 34 O5' DT A 2 -7.863 7.576 -5.647 1.00 10.00 O ATOM 35 C5' DT A 2 -9.026 6.865 -5.263 1.00 10.00 C ATOM 36 C4' DT A 2 -8.626 5.462 -4.796 1.00 10.00 C ATOM 37 O4' DT A 2 -7.870 4.821 -5.804 1.00 10.00 O ATOM 38 C3' DT A 2 -7.754 5.487 -3.537 1.00 10.00 C ATOM 39 O3' DT A 2 -8.571 5.319 -2.388 1.00 10.00 O ATOM 40 C2' DT A 2 -6.780 4.335 -3.759 1.00 10.00 C ATOM 41 C1' DT A 2 -7.007 3.877 -5.202 1.00 10.00 C ATOM 42 N1 DT A 2 -5.723 3.848 -5.942 1.00 10.00 N ATOM 43 C2 DT A 2 -5.222 2.639 -6.422 1.00 10.00 C ATOM 44 O2 DT A 2 -5.817 1.569 -6.317 1.00 10.00 O ATOM 45 N3 DT A 2 -3.981 2.700 -7.041 1.00 10.00 N ATOM 46 C4 DT A 2 -3.219 3.845 -7.231 1.00 10.00 C ATOM 47 O4 DT A 2 -2.114 3.762 -7.763 1.00 10.00 O ATOM 48 C5 DT A 2 -3.839 5.067 -6.746 1.00 10.00 C ATOM 49 C7 DT A 2 -3.163 6.407 -6.959 1.00 10.00 C ATOM 50 C6 DT A 2 -5.041 5.022 -6.120 1.00 10.00 C ATOM 0 H5' DT A 2 -9.720 6.799 -6.101 1.00 10.00 H new ATOM 0 H5'' DT A 2 -9.543 7.394 -4.463 1.00 10.00 H new ATOM 0 H4' DT A 2 -9.555 4.934 -4.580 1.00 10.00 H new ATOM 0 H3' DT A 2 -7.222 6.423 -3.370 1.00 10.00 H new ATOM 0 H2' DT A 2 -5.750 4.658 -3.608 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.966 3.523 -3.056 1.00 10.00 H new ATOM 0 H1' DT A 2 -7.435 2.875 -5.221 1.00 10.00 H new ATOM 0 H3 DT A 2 -3.593 1.823 -7.388 1.00 10.00 H new ATOM 0 H71 DT A 2 -3.920 7.187 -7.040 1.00 10.00 H new ATOM 0 H72 DT A 2 -2.509 6.623 -6.114 1.00 10.00 H new ATOM 0 H73 DT A 2 -2.574 6.376 -7.876 1.00 10.00 H new ATOM 0 H6 DT A 2 -5.474 5.940 -5.751 1.00 10.00 H new ATOM 63 P DG A 3 -7.973 5.228 -0.886 1.00 10.00 P ATOM 64 OP1 DG A 3 -8.991 5.766 0.043 1.00 10.00 O ATOM 65 OP2 DG A 3 -6.609 5.804 -0.888 1.00 10.00 O ATOM 66 O5' DG A 3 -7.836 3.640 -0.607 1.00 10.00 O ATOM 67 C5' DG A 3 -8.962 2.777 -0.602 1.00 10.00 C ATOM 68 C4' DG A 3 -8.578 1.379 -0.091 1.00 10.00 C ATOM 69 O4' DG A 3 -7.333 0.944 -0.629 1.00 10.00 O ATOM 70 C3' DG A 3 -8.457 1.341 1.434 1.00 10.00 C ATOM 71 O3' DG A 3 -8.957 0.088 1.873 1.00 10.00 O ATOM 72 C2' DG A 3 -6.956 1.502 1.635 1.00 10.00 C ATOM 73 C1' DG A 3 -6.391 0.762 0.422 1.00 10.00 C ATOM 74 N9 DG A 3 -5.062 1.264 -0.005 1.00 10.00 N ATOM 75 C8 DG A 3 -4.646 2.564 -0.143 1.00 10.00 C ATOM 76 N7 DG A 3 -3.412 2.695 -0.542 1.00 10.00 N ATOM 77 C5 DG A 3 -2.973 1.385 -0.695 1.00 10.00 C ATOM 78 C6 DG A 3 -1.693 0.890 -1.087 1.00 10.00 C ATOM 79 O6 DG A 3 -0.695 1.538 -1.385 1.00 10.00 O ATOM 80 N1 DG A 3 -1.641 -0.499 -1.123 1.00 10.00 N ATOM 81 C2 DG A 3 -2.707 -1.323 -0.814 1.00 10.00 C ATOM 82 N2 DG A 3 -2.495 -2.640 -0.895 1.00 10.00 N ATOM 83 N3 DG A 3 -3.908 -0.861 -0.424 1.00 10.00 N ATOM 84 C4 DG A 3 -3.979 0.499 -0.384 1.00 10.00 C ATOM 0 H5' DG A 3 -9.372 2.701 -1.609 1.00 10.00 H new ATOM 0 H5'' DG A 3 -9.745 3.197 0.029 1.00 10.00 H new ATOM 0 H4' DG A 3 -9.381 0.718 -0.418 1.00 10.00 H new ATOM 0 H3' DG A 3 -9.013 2.096 1.991 1.00 10.00 H new ATOM 0 H2' DG A 3 -6.656 2.550 1.649 1.00 10.00 H new ATOM 0 H2'' DG A 3 -6.621 1.062 2.574 1.00 10.00 H new ATOM 0 H1' DG A 3 -6.241 -0.287 0.679 1.00 10.00 H new ATOM 0 H8 DG A 3 -5.287 3.408 0.062 1.00 10.00 H new ATOM 0 H1 DG A 3 -0.761 -0.937 -1.394 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.248 -3.292 -0.677 1.00 10.00 H new ATOM 0 H22 DG A 3 -1.580 -2.993 -1.174 1.00 10.00 H new ATOM 96 P DC A 4 -9.048 -0.319 3.432 1.00 10.00 P ATOM 97 OP1 DC A 4 -10.260 -1.147 3.625 1.00 10.00 O ATOM 98 OP2 DC A 4 -8.846 0.895 4.254 1.00 10.00 O ATOM 99 O5' DC A 4 -7.755 -1.262 3.598 1.00 10.00 O ATOM 100 C5' DC A 4 -7.748 -2.599 3.128 1.00 10.00 C ATOM 101 C4' DC A 4 -6.339 -3.181 3.269 1.00 10.00 C ATOM 102 O4' DC A 4 -5.444 -2.398 2.510 1.00 10.00 O ATOM 103 C3' DC A 4 -5.835 -3.168 4.719 1.00 10.00 C ATOM 104 O3' DC A 4 -5.871 -4.478 5.264 1.00 10.00 O ATOM 105 C2' DC A 4 -4.420 -2.614 4.608 1.00 10.00 C ATOM 106 C1' DC A 4 -4.170 -2.498 3.104 1.00 10.00 C ATOM 107 N1 DC A 4 -3.407 -1.261 2.821 1.00 10.00 N ATOM 108 C2 DC A 4 -2.100 -1.333 2.339 1.00 10.00 C ATOM 109 O2 DC A 4 -1.553 -2.415 2.142 1.00 10.00 O ATOM 110 N3 DC A 4 -1.436 -0.166 2.092 1.00 10.00 N ATOM 111 C4 DC A 4 -2.018 1.021 2.324 1.00 10.00 C ATOM 112 N4 DC A 4 -1.322 2.132 2.068 1.00 10.00 N ATOM 113 C5 DC A 4 -3.360 1.112 2.830 1.00 10.00 C ATOM 114 C6 DC A 4 -4.003 -0.051 3.061 1.00 10.00 C ATOM 0 H5' DC A 4 -8.064 -2.631 2.085 1.00 10.00 H new ATOM 0 H5'' DC A 4 -8.460 -3.199 3.695 1.00 10.00 H new ATOM 0 H4' DC A 4 -6.385 -4.214 2.925 1.00 10.00 H new ATOM 0 H3' DC A 4 -6.445 -2.565 5.391 1.00 10.00 H new ATOM 0 H2' DC A 4 -4.333 -1.645 5.100 1.00 10.00 H new ATOM 0 H2'' DC A 4 -3.696 -3.278 5.081 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.604 -3.349 2.724 1.00 10.00 H new ATOM 0 H41 DC A 4 -1.741 3.047 2.236 1.00 10.00 H new ATOM 0 H42 DC A 4 -0.371 2.066 1.705 1.00 10.00 H new ATOM 0 H5 DC A 4 -3.831 2.066 3.016 1.00 10.00 H new ATOM 0 H6 DC A 4 -5.012 -0.028 3.445 1.00 10.00 H new ATOM 126 P DA A 5 -5.706 -4.766 6.850 1.00 10.00 P ATOM 127 OP1 DA A 5 -6.195 -6.138 7.109 1.00 10.00 O ATOM 128 OP2 DA A 5 -6.300 -3.633 7.593 1.00 10.00 O ATOM 129 O5' DA A 5 -4.112 -4.748 7.121 1.00 10.00 O ATOM 130 C5' DA A 5 -3.260 -5.773 6.641 1.00 10.00 C ATOM 131 C4' DA A 5 -1.865 -5.632 7.261 1.00 10.00 C ATOM 132 O4' DA A 5 -1.314 -4.343 7.040 1.00 10.00 O ATOM 133 C3' DA A 5 -1.883 -5.860 8.781 1.00 10.00 C ATOM 134 O3' DA A 5 -1.307 -7.121 9.080 1.00 10.00 O ATOM 135 C2' DA A 5 -1.092 -4.668 9.329 1.00 10.00 C ATOM 136 C1' DA A 5 -0.411 -4.080 8.097 1.00 10.00 C ATOM 137 N9 DA A 5 -0.163 -2.632 8.238 1.00 10.00 N ATOM 138 C8 DA A 5 -1.091 -1.665 8.487 1.00 10.00 C ATOM 139 N7 DA A 5 -0.634 -0.445 8.441 1.00 10.00 N ATOM 140 C5 DA A 5 0.712 -0.620 8.139 1.00 10.00 C ATOM 141 C6 DA A 5 1.767 0.287 7.903 1.00 10.00 C ATOM 142 N6 DA A 5 1.599 1.613 7.933 1.00 10.00 N ATOM 143 N1 DA A 5 2.987 -0.208 7.623 1.00 10.00 N ATOM 144 C2 DA A 5 3.154 -1.529 7.577 1.00 10.00 C ATOM 145 N3 DA A 5 2.246 -2.484 7.769 1.00 10.00 N ATOM 146 C4 DA A 5 1.021 -1.956 8.046 1.00 10.00 C ATOM 0 H5' DA A 5 -3.191 -5.720 5.555 1.00 10.00 H new ATOM 0 H5'' DA A 5 -3.679 -6.749 6.886 1.00 10.00 H new ATOM 0 H4' DA A 5 -1.257 -6.393 6.772 1.00 10.00 H new ATOM 0 H3' DA A 5 -2.876 -5.900 9.228 1.00 10.00 H new ATOM 0 H2' DA A 5 -1.747 -3.941 9.808 1.00 10.00 H new ATOM 0 H2'' DA A 5 -0.363 -4.982 10.076 1.00 10.00 H new ATOM 0 H1' DA A 5 0.572 -4.520 7.930 1.00 10.00 H new ATOM 0 H8 DA A 5 -2.124 -1.892 8.705 1.00 10.00 H new ATOM 0 H61 DA A 5 2.391 2.231 7.756 1.00 10.00 H new ATOM 0 H62 DA A 5 0.679 2.006 8.133 1.00 10.00 H new ATOM 0 H2 DA A 5 4.155 -1.869 7.355 1.00 10.00 H new ATOM 158 P DT A 6 -1.248 -7.714 10.585 1.00 10.00 P ATOM 159 OP1 DT A 6 -1.096 -9.184 10.498 1.00 10.00 O ATOM 160 OP2 DT A 6 -2.357 -7.134 11.373 1.00 10.00 O ATOM 161 O5' DT A 6 0.134 -7.101 11.138 1.00 10.00 O ATOM 162 C5' DT A 6 1.377 -7.529 10.618 1.00 10.00 C ATOM 163 C4' DT A 6 2.510 -6.613 11.084 1.00 10.00 C ATOM 164 O4' DT A 6 2.363 -5.316 10.540 1.00 10.00 O ATOM 165 C3' DT A 6 2.574 -6.393 12.595 1.00 10.00 C ATOM 166 O3' DT A 6 3.329 -7.399 13.237 1.00 10.00 O ATOM 167 C2' DT A 6 3.245 -5.024 12.711 1.00 10.00 C ATOM 168 C1' DT A 6 3.198 -4.452 11.287 1.00 10.00 C ATOM 169 N1 DT A 6 2.661 -3.066 11.259 1.00 10.00 N ATOM 170 C2 DT A 6 3.499 -2.029 10.848 1.00 10.00 C ATOM 171 O2 DT A 6 4.663 -2.199 10.494 1.00 10.00 O ATOM 172 N3 DT A 6 2.948 -0.758 10.855 1.00 10.00 N ATOM 173 C4 DT A 6 1.656 -0.426 11.230 1.00 10.00 C ATOM 174 O4 DT A 6 1.288 0.746 11.179 1.00 10.00 O ATOM 175 C5 DT A 6 0.848 -1.557 11.650 1.00 10.00 C ATOM 176 C7 DT A 6 -0.577 -1.320 12.110 1.00 10.00 C ATOM 177 C6 DT A 6 1.366 -2.813 11.650 1.00 10.00 C ATOM 0 H5' DT A 6 1.336 -7.538 9.529 1.00 10.00 H new ATOM 0 H5'' DT A 6 1.576 -8.552 10.938 1.00 10.00 H new ATOM 0 H4' DT A 6 3.409 -7.131 10.749 1.00 10.00 H new ATOM 0 H3' DT A 6 1.597 -6.434 13.076 1.00 10.00 H new ATOM 0 H2' DT A 6 2.716 -4.381 13.415 1.00 10.00 H new ATOM 0 H2'' DT A 6 4.271 -5.114 13.069 1.00 10.00 H new ATOM 0 HO3' DT A 6 3.351 -7.226 14.201 1.00 10.00 H new ATOM 0 H1' DT A 6 4.204 -4.396 10.871 1.00 10.00 H new ATOM 0 H3 DT A 6 3.552 0.007 10.555 1.00 10.00 H new ATOM 0 H71 DT A 6 -1.184 -2.196 11.882 1.00 10.00 H new ATOM 0 H72 DT A 6 -0.587 -1.142 13.185 1.00 10.00 H new ATOM 0 H73 DT A 6 -0.986 -0.451 11.594 1.00 10.00 H new ATOM 0 H6 DT A 6 0.743 -3.637 11.966 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 10.001 7.800 9.813 1.00 10.00 O ATOM 193 C5' DA B 1 11.166 7.003 9.824 1.00 10.00 C ATOM 194 C4' DA B 1 10.860 5.590 9.320 1.00 10.00 C ATOM 195 O4' DA B 1 9.833 4.992 10.092 1.00 10.00 O ATOM 196 C3' DA B 1 10.349 5.559 7.881 1.00 10.00 C ATOM 197 O3' DA B 1 11.421 5.590 6.956 1.00 10.00 O ATOM 198 C2' DA B 1 9.578 4.244 7.858 1.00 10.00 C ATOM 199 C1' DA B 1 9.227 3.967 9.319 1.00 10.00 C ATOM 200 N9 DA B 1 7.768 3.952 9.515 1.00 10.00 N ATOM 201 C8 DA B 1 6.948 5.028 9.660 1.00 10.00 C ATOM 202 N7 DA B 1 5.697 4.735 9.885 1.00 10.00 N ATOM 203 C5 DA B 1 5.688 3.344 9.868 1.00 10.00 C ATOM 204 C6 DA B 1 4.667 2.384 10.043 1.00 10.00 C ATOM 205 N6 DA B 1 3.398 2.707 10.318 1.00 10.00 N ATOM 206 N1 DA B 1 4.990 1.083 9.916 1.00 10.00 N ATOM 207 C2 DA B 1 6.249 0.746 9.644 1.00 10.00 C ATOM 208 N3 DA B 1 7.298 1.547 9.475 1.00 10.00 N ATOM 209 C4 DA B 1 6.945 2.855 9.604 1.00 10.00 C ATOM 0 H5' DA B 1 11.570 6.954 10.835 1.00 10.00 H new ATOM 0 H5'' DA B 1 11.931 7.460 9.197 1.00 10.00 H new ATOM 0 H4' DA B 1 11.809 5.059 9.395 1.00 10.00 H new ATOM 0 H3' DA B 1 9.738 6.415 7.595 1.00 10.00 H new ATOM 0 H2' DA B 1 8.681 4.323 7.244 1.00 10.00 H new ATOM 0 H2'' DA B 1 10.182 3.440 7.438 1.00 10.00 H new ATOM 0 HO5' DA B 1 9.212 7.227 9.911 1.00 10.00 H new ATOM 0 H1' DA B 1 9.594 2.987 9.625 1.00 10.00 H new ATOM 0 H8 DA B 1 7.305 6.045 9.594 1.00 10.00 H new ATOM 0 H61 DA B 1 2.699 1.974 10.435 1.00 10.00 H new ATOM 0 H62 DA B 1 3.130 3.687 10.411 1.00 10.00 H new ATOM 0 H2 DA B 1 6.444 -0.312 9.548 1.00 10.00 H new ATOM 222 P DT B 2 11.178 5.815 5.373 1.00 10.00 P ATOM 223 OP1 DT B 2 12.501 5.924 4.719 1.00 10.00 O ATOM 224 OP2 DT B 2 10.190 6.905 5.211 1.00 10.00 O ATOM 225 O5' DT B 2 10.485 4.442 4.891 1.00 10.00 O ATOM 226 C5' DT B 2 11.237 3.264 4.657 1.00 10.00 C ATOM 227 C4' DT B 2 10.279 2.103 4.365 1.00 10.00 C ATOM 228 O4' DT B 2 9.345 1.974 5.418 1.00 10.00 O ATOM 229 C3' DT B 2 9.470 2.317 3.083 1.00 10.00 C ATOM 230 O3' DT B 2 10.131 1.691 1.994 1.00 10.00 O ATOM 231 C2' DT B 2 8.113 1.700 3.413 1.00 10.00 C ATOM 232 C1' DT B 2 8.160 1.389 4.911 1.00 10.00 C ATOM 233 N1 DT B 2 6.991 1.984 5.599 1.00 10.00 N ATOM 234 C2 DT B 2 6.051 1.161 6.217 1.00 10.00 C ATOM 235 O2 DT B 2 6.155 -0.062 6.274 1.00 10.00 O ATOM 236 N3 DT B 2 4.956 1.804 6.777 1.00 10.00 N ATOM 237 C4 DT B 2 4.729 3.174 6.785 1.00 10.00 C ATOM 238 O4 DT B 2 3.693 3.619 7.272 1.00 10.00 O ATOM 239 C5 DT B 2 5.787 3.960 6.172 1.00 10.00 C ATOM 240 C7 DT B 2 5.720 5.475 6.171 1.00 10.00 C ATOM 241 C6 DT B 2 6.851 3.346 5.599 1.00 10.00 C ATOM 0 H5' DT B 2 11.853 3.033 5.526 1.00 10.00 H new ATOM 0 H5'' DT B 2 11.915 3.412 3.816 1.00 10.00 H new ATOM 0 H4' DT B 2 10.901 1.215 4.257 1.00 10.00 H new ATOM 0 H3' DT B 2 9.359 3.358 2.780 1.00 10.00 H new ATOM 0 H2' DT B 2 7.301 2.389 3.180 1.00 10.00 H new ATOM 0 H2'' DT B 2 7.940 0.796 2.829 1.00 10.00 H new ATOM 0 H1' DT B 2 8.142 0.312 5.076 1.00 10.00 H new ATOM 0 H3 DT B 2 4.253 1.216 7.224 1.00 10.00 H new ATOM 0 H71 DT B 2 6.730 5.884 6.183 1.00 10.00 H new ATOM 0 H72 DT B 2 5.202 5.816 5.275 1.00 10.00 H new ATOM 0 H73 DT B 2 5.180 5.816 7.054 1.00 10.00 H new ATOM 0 H6 DT B 2 7.612 3.950 5.128 1.00 10.00 H new ATOM 254 P DG B 3 9.538 1.688 0.489 1.00 10.00 P ATOM 255 OP1 DG B 3 10.680 1.626 -0.451 1.00 10.00 O ATOM 256 OP2 DG B 3 8.552 2.785 0.368 1.00 10.00 O ATOM 257 O5' DG B 3 8.737 0.289 0.390 1.00 10.00 O ATOM 258 C5' DG B 3 9.390 -0.961 0.532 1.00 10.00 C ATOM 259 C4' DG B 3 8.422 -2.117 0.240 1.00 10.00 C ATOM 260 O4' DG B 3 7.131 -1.870 0.788 1.00 10.00 O ATOM 261 C3' DG B 3 8.248 -2.353 -1.262 1.00 10.00 C ATOM 262 O3' DG B 3 8.152 -3.753 -1.463 1.00 10.00 O ATOM 263 C2' DG B 3 6.954 -1.602 -1.555 1.00 10.00 C ATOM 264 C1' DG B 3 6.169 -1.790 -0.257 1.00 10.00 C ATOM 265 N9 DG B 3 5.217 -0.686 0.019 1.00 10.00 N ATOM 266 C8 DG B 3 5.417 0.668 -0.083 1.00 10.00 C ATOM 267 N7 DG B 3 4.378 1.391 0.233 1.00 10.00 N ATOM 268 C5 DG B 3 3.413 0.454 0.586 1.00 10.00 C ATOM 269 C6 DG B 3 2.054 0.640 0.990 1.00 10.00 C ATOM 270 O6 DG B 3 1.443 1.699 1.121 1.00 10.00 O ATOM 271 N1 DG B 3 1.406 -0.565 1.249 1.00 10.00 N ATOM 272 C2 DG B 3 1.998 -1.810 1.122 1.00 10.00 C ATOM 273 N2 DG B 3 1.243 -2.879 1.392 1.00 10.00 N ATOM 274 N3 DG B 3 3.266 -1.986 0.719 1.00 10.00 N ATOM 275 C4 DG B 3 3.921 -0.820 0.468 1.00 10.00 C ATOM 0 H5' DG B 3 9.785 -1.058 1.543 1.00 10.00 H new ATOM 0 H5'' DG B 3 10.240 -1.012 -0.148 1.00 10.00 H new ATOM 0 H4' DG B 3 8.867 -2.997 0.704 1.00 10.00 H new ATOM 0 H3' DG B 3 9.054 -2.011 -1.912 1.00 10.00 H new ATOM 0 H2' DG B 3 7.135 -0.549 -1.772 1.00 10.00 H new ATOM 0 H2'' DG B 3 6.427 -2.019 -2.413 1.00 10.00 H new ATOM 0 H1' DG B 3 5.560 -2.691 -0.336 1.00 10.00 H new ATOM 0 H8 DG B 3 6.356 1.099 -0.398 1.00 10.00 H new ATOM 0 H1 DG B 3 0.433 -0.528 1.552 1.00 10.00 H new ATOM 0 H21 DG B 3 1.638 -3.816 1.312 1.00 10.00 H new ATOM 0 H22 DG B 3 0.272 -2.758 1.679 1.00 10.00 H new ATOM 287 P DC B 4 8.023 -4.418 -2.927 1.00 10.00 P ATOM 288 OP1 DC B 4 8.764 -5.699 -2.924 1.00 10.00 O ATOM 289 OP2 DC B 4 8.328 -3.391 -3.947 1.00 10.00 O ATOM 290 O5' DC B 4 6.448 -4.741 -2.991 1.00 10.00 O ATOM 291 C5' DC B 4 5.890 -5.843 -2.297 1.00 10.00 C ATOM 292 C4' DC B 4 4.365 -5.790 -2.406 1.00 10.00 C ATOM 293 O4' DC B 4 3.906 -4.585 -1.829 1.00 10.00 O ATOM 294 C3' DC B 4 3.876 -5.810 -3.860 1.00 10.00 C ATOM 295 O3' DC B 4 3.360 -7.089 -4.192 1.00 10.00 O ATOM 296 C2' DC B 4 2.817 -4.715 -3.899 1.00 10.00 C ATOM 297 C1' DC B 4 2.684 -4.250 -2.448 1.00 10.00 C ATOM 298 N1 DC B 4 2.506 -2.780 -2.409 1.00 10.00 N ATOM 299 C2 DC B 4 1.295 -2.226 -1.988 1.00 10.00 C ATOM 300 O2 DC B 4 0.343 -2.930 -1.660 1.00 10.00 O ATOM 301 N3 DC B 4 1.188 -0.866 -1.948 1.00 10.00 N ATOM 302 C4 DC B 4 2.207 -0.078 -2.330 1.00 10.00 C ATOM 303 N4 DC B 4 2.060 1.247 -2.240 1.00 10.00 N ATOM 304 C5 DC B 4 3.446 -0.635 -2.798 1.00 10.00 C ATOM 305 C6 DC B 4 3.542 -1.981 -2.815 1.00 10.00 C ATOM 0 H5' DC B 4 6.192 -5.819 -1.250 1.00 10.00 H new ATOM 0 H5'' DC B 4 6.264 -6.778 -2.715 1.00 10.00 H new ATOM 0 H4' DC B 4 3.979 -6.671 -1.894 1.00 10.00 H new ATOM 0 H3' DC B 4 4.663 -5.629 -4.592 1.00 10.00 H new ATOM 0 H2' DC B 4 3.119 -3.895 -4.551 1.00 10.00 H new ATOM 0 H2'' DC B 4 1.869 -5.094 -4.282 1.00 10.00 H new ATOM 0 H1' DC B 4 1.830 -4.712 -1.953 1.00 10.00 H new ATOM 0 H41 DC B 4 2.820 1.865 -2.524 1.00 10.00 H new ATOM 0 H42 DC B 4 1.188 1.640 -1.887 1.00 10.00 H new ATOM 0 H5 DC B 4 4.262 -0.006 -3.121 1.00 10.00 H new ATOM 0 H6 DC B 4 4.458 -2.439 -3.157 1.00 10.00 H new ATOM 317 P DA B 5 3.076 -7.543 -5.722 1.00 10.00 P ATOM 318 OP1 DA B 5 2.952 -9.017 -5.735 1.00 10.00 O ATOM 319 OP2 DA B 5 4.079 -6.892 -6.594 1.00 10.00 O ATOM 320 O5' DA B 5 1.631 -6.919 -6.089 1.00 10.00 O ATOM 321 C5' DA B 5 0.435 -7.420 -5.517 1.00 10.00 C ATOM 322 C4' DA B 5 -0.785 -6.830 -6.234 1.00 10.00 C ATOM 323 O4' DA B 5 -0.764 -5.411 -6.228 1.00 10.00 O ATOM 324 C3' DA B 5 -0.870 -7.273 -7.703 1.00 10.00 C ATOM 325 O3' DA B 5 -1.906 -8.231 -7.850 1.00 10.00 O ATOM 326 C2' DA B 5 -1.121 -5.963 -8.457 1.00 10.00 C ATOM 327 C1' DA B 5 -1.492 -4.970 -7.359 1.00 10.00 C ATOM 328 N9 DA B 5 -1.134 -3.584 -7.718 1.00 10.00 N ATOM 329 C8 DA B 5 0.101 -3.121 -8.065 1.00 10.00 C ATOM 330 N7 DA B 5 0.177 -1.828 -8.213 1.00 10.00 N ATOM 331 C5 DA B 5 -1.117 -1.398 -7.942 1.00 10.00 C ATOM 332 C6 DA B 5 -1.707 -0.119 -7.872 1.00 10.00 C ATOM 333 N6 DA B 5 -1.018 1.008 -8.084 1.00 10.00 N ATOM 334 N1 DA B 5 -3.015 -0.032 -7.563 1.00 10.00 N ATOM 335 C2 DA B 5 -3.701 -1.150 -7.335 1.00 10.00 C ATOM 336 N3 DA B 5 -3.263 -2.408 -7.359 1.00 10.00 N ATOM 337 C4 DA B 5 -1.938 -2.466 -7.668 1.00 10.00 C ATOM 0 H5' DA B 5 0.398 -7.170 -4.457 1.00 10.00 H new ATOM 0 H5'' DA B 5 0.417 -8.507 -5.589 1.00 10.00 H new ATOM 0 H4' DA B 5 -1.647 -7.203 -5.681 1.00 10.00 H new ATOM 0 H3' DA B 5 0.021 -7.770 -8.086 1.00 10.00 H new ATOM 0 H2' DA B 5 -0.235 -5.641 -9.004 1.00 10.00 H new ATOM 0 H2'' DA B 5 -1.924 -6.070 -9.186 1.00 10.00 H new ATOM 0 H1' DA B 5 -2.567 -4.945 -7.183 1.00 10.00 H new ATOM 0 H8 DA B 5 0.949 -3.774 -8.206 1.00 10.00 H new ATOM 0 H61 DA B 5 -1.487 1.912 -8.023 1.00 10.00 H new ATOM 0 H62 DA B 5 -0.024 0.964 -8.307 1.00 10.00 H new ATOM 0 H2 DA B 5 -4.747 -1.020 -7.100 1.00 10.00 H new ATOM 349 P DT B 6 -2.233 -8.952 -9.261 1.00 10.00 P ATOM 350 OP1 DT B 6 -2.946 -10.218 -8.981 1.00 10.00 O ATOM 351 OP2 DT B 6 -1.005 -8.965 -10.088 1.00 10.00 O ATOM 352 O5' DT B 6 -3.278 -7.926 -9.930 1.00 10.00 O ATOM 353 C5' DT B 6 -4.567 -7.743 -9.381 1.00 10.00 C ATOM 354 C4' DT B 6 -5.262 -6.530 -10.002 1.00 10.00 C ATOM 355 O4' DT B 6 -4.593 -5.335 -9.654 1.00 10.00 O ATOM 356 C3' DT B 6 -5.292 -6.526 -11.530 1.00 10.00 C ATOM 357 O3' DT B 6 -6.408 -7.229 -12.032 1.00 10.00 O ATOM 358 C2' DT B 6 -5.367 -5.035 -11.864 1.00 10.00 C ATOM 359 C1' DT B 6 -5.046 -4.328 -10.540 1.00 10.00 C ATOM 360 N1 DT B 6 -4.003 -3.281 -10.709 1.00 10.00 N ATOM 361 C2 DT B 6 -4.348 -1.948 -10.489 1.00 10.00 C ATOM 362 O2 DT B 6 -5.472 -1.585 -10.153 1.00 10.00 O ATOM 363 N3 DT B 6 -3.337 -1.017 -10.672 1.00 10.00 N ATOM 364 C4 DT B 6 -2.031 -1.287 -11.049 1.00 10.00 C ATOM 365 O4 DT B 6 -1.225 -0.366 -11.161 1.00 10.00 O ATOM 366 C5 DT B 6 -1.754 -2.696 -11.268 1.00 10.00 C ATOM 367 C7 DT B 6 -0.367 -3.119 -11.711 1.00 10.00 C ATOM 368 C6 DT B 6 -2.728 -3.626 -11.095 1.00 10.00 C ATOM 0 H5' DT B 6 -4.491 -7.609 -8.302 1.00 10.00 H new ATOM 0 H5'' DT B 6 -5.168 -8.637 -9.550 1.00 10.00 H new ATOM 0 H4' DT B 6 -6.278 -6.592 -9.613 1.00 10.00 H new ATOM 0 H3' DT B 6 -4.431 -7.023 -11.977 1.00 10.00 H new ATOM 0 H2' DT B 6 -4.652 -4.766 -12.641 1.00 10.00 H new ATOM 0 H2'' DT B 6 -6.356 -4.760 -12.231 1.00 10.00 H new ATOM 0 HO3' DT B 6 -6.396 -7.205 -13.012 1.00 10.00 H new ATOM 0 H1' DT B 6 -5.931 -3.818 -10.158 1.00 10.00 H new ATOM 0 H3 DT B 6 -3.578 -0.039 -10.514 1.00 10.00 H new ATOM 0 H71 DT B 6 -0.154 -4.119 -11.334 1.00 10.00 H new ATOM 0 H72 DT B 6 -0.318 -3.124 -12.800 1.00 10.00 H new ATOM 0 H73 DT B 6 0.370 -2.419 -11.318 1.00 10.00 H new ATOM 0 H6 DT B 6 -2.495 -4.667 -11.265 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 0.813 2.078 -4.901 1.00 10.00 O HETATM 384 C11 NF A 7 -0.315 1.757 -4.644 1.00 10.00 C HETATM 385 N21 NF A 7 -1.290 2.717 -4.341 1.00 10.00 N HETATM 386 C12 NF A 7 -0.918 4.160 -4.403 1.00 10.00 C HETATM 387 C31 NF A 7 -2.626 2.401 -4.065 1.00 10.00 C HETATM 388 O31 NF A 7 -3.429 3.268 -3.856 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.017 0.955 -4.028 1.00 10.00 C HETATM 390 CXD NF A 7 -2.054 -0.047 -4.305 1.00 10.00 C HETATM 391 CXT NF A 7 -0.721 0.314 -4.628 1.00 10.00 C HETATM 392 C91 NF A 7 0.206 -0.659 -4.930 1.00 10.00 C HETATM 393 C81 NF A 7 -0.146 -2.017 -4.888 1.00 10.00 C HETATM 394 C71 NF A 7 -1.443 -2.407 -4.534 1.00 10.00 C HETATM 395 CXN NF A 7 -2.428 -1.420 -4.257 1.00 10.00 C HETATM 396 C61 NF A 7 -3.774 -1.757 -3.936 1.00 10.00 C HETATM 397 C51 NF A 7 -4.706 -0.744 -3.674 1.00 10.00 C HETATM 398 C41 NF A 7 -4.313 0.602 -3.722 1.00 10.00 C HETATM 399 C22 NF A 7 -1.016 4.925 -3.076 1.00 10.00 C HETATM 400 N32 NF A 7 -0.298 4.237 -1.976 1.00 10.00 N HETATM 401 C42 NF A 7 -0.659 4.639 -0.593 1.00 10.00 C HETATM 402 C52 NF A 7 0.259 5.704 0.031 1.00 10.00 C HETATM 403 C62 NF A 7 1.621 5.165 0.488 1.00 10.00 C HETATM 404 N72 NF A 7 1.548 4.485 1.802 1.00 10.00 N HETATM 405 C82 NF A 7 2.835 4.497 2.524 1.00 10.00 C HETATM 406 O13 NF A 7 0.282 2.864 4.570 1.00 10.00 O HETATM 407 C13 NF A 7 1.173 2.072 4.420 1.00 10.00 C HETATM 408 N23 NF A 7 2.454 2.496 4.049 1.00 10.00 N HETATM 409 C92 NF A 7 2.720 3.957 3.953 1.00 10.00 C HETATM 410 C33 NF A 7 3.528 1.629 3.829 1.00 10.00 C HETATM 411 O33 NF A 7 4.602 2.056 3.504 1.00 10.00 O HETATM 412 CX5 NF A 7 3.292 0.159 4.001 1.00 10.00 C HETATM 413 CXF NF A 7 2.011 -0.313 4.383 1.00 10.00 C HETATM 414 CXV NF A 7 0.950 0.603 4.609 1.00 10.00 C HETATM 415 C93 NF A 7 -0.288 0.144 5.004 1.00 10.00 C HETATM 416 C83 NF A 7 -0.525 -1.230 5.160 1.00 10.00 C HETATM 417 C73 NF A 7 0.493 -2.161 4.914 1.00 10.00 C HETATM 418 CXP NF A 7 1.789 -1.711 4.536 1.00 10.00 C HETATM 419 C63 NF A 7 2.871 -2.608 4.308 1.00 10.00 C HETATM 420 C53 NF A 7 4.128 -2.111 3.936 1.00 10.00 C HETATM 421 C43 NF A 7 4.323 -0.730 3.783 1.00 10.00 C HETATM 0 H922 NF A 7 3.645 4.179 4.486 1.00 10.00 H new HETATM 0 H912 NF A 7 1.920 4.492 4.465 1.00 10.00 H new HETATM 0 H822 NF A 7 3.561 3.900 1.972 1.00 10.00 H new HETATM 0 H812 NF A 7 3.219 5.517 2.556 1.00 10.00 H new HETATM 0 H722 NF A 7 0.837 4.938 2.376 1.00 10.00 H new HETATM 0 H712 NF A 7 1.249 3.520 1.664 1.00 10.00 H new HETATM 0 H622 NF A 7 2.001 4.467 -0.258 1.00 10.00 H new HETATM 0 H612 NF A 7 2.333 5.988 0.547 1.00 10.00 H new HETATM 0 H522 NF A 7 0.420 6.500 -0.696 1.00 10.00 H new HETATM 0 H512 NF A 7 -0.249 6.151 0.886 1.00 10.00 H new HETATM 0 H422 NF A 7 -1.681 5.017 -0.595 1.00 10.00 H new HETATM 0 H412 NF A 7 -0.648 3.753 0.042 1.00 10.00 H new HETATM 0 H322 NF A 7 -0.459 3.234 -2.069 1.00 10.00 H new HETATM 0 H312 NF A 7 0.702 4.392 -2.102 1.00 10.00 H new HETATM 0 H222 NF A 7 -0.605 5.926 -3.205 1.00 10.00 H new HETATM 0 H212 NF A 7 -2.065 5.044 -2.804 1.00 10.00 H new HETATM 0 H122 NF A 7 0.104 4.238 -4.773 1.00 10.00 H new HETATM 0 H112 NF A 7 -1.560 4.652 -5.134 1.00 10.00 H new HETATM 0 H93 NF A 7 -1.091 0.855 5.197 1.00 10.00 H new HETATM 0 H91 NF A 7 1.221 -0.372 -5.204 1.00 10.00 H new HETATM 0 H83 NF A 7 -1.509 -1.576 5.475 1.00 10.00 H new HETATM 0 H81 NF A 7 0.598 -2.775 -5.133 1.00 10.00 H new HETATM 0 H73 NF A 7 0.293 -3.228 5.012 1.00 10.00 H new HETATM 0 H71 NF A 7 -1.697 -3.465 -4.471 1.00 10.00 H new HETATM 0 H63 NF A 7 2.722 -3.682 4.423 1.00 10.00 H new HETATM 0 H61 NF A 7 -4.079 -2.803 -3.894 1.00 10.00 H new HETATM 0 H53 NF A 7 4.956 -2.799 3.765 1.00 10.00 H new HETATM 0 H51 NF A 7 -5.737 -1.002 -3.433 1.00 10.00 H new HETATM 0 H43 NF A 7 5.303 -0.355 3.488 1.00 10.00 H new HETATM 0 H41 NF A 7 -5.046 1.382 -3.514 1.00 10.00 H new