USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 138 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 Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot -19:sc= 0.114 USER MOD Single : A 4 DT C7 :methyl -30:sc= -3.59! (180deg=-5.61!) USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot -20:sc= 0.145 USER MOD Single : B 4 DT C7 :methyl -30:sc= -3.08! (180deg=-5.39!) USER MOD Single : B 6 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 2.177 -6.735 -4.601 1.00 0.00 O ATOM 2 C5' DT A 1 2.493 -7.651 -3.545 1.00 0.00 C ATOM 3 C4' DT A 1 3.022 -6.919 -2.283 1.00 0.00 C ATOM 4 O4' DT A 1 2.316 -5.676 -2.069 1.00 0.00 O ATOM 5 C3' DT A 1 3.056 -7.719 -0.953 1.00 0.00 C ATOM 6 O3' DT A 1 4.459 -7.821 -0.563 1.00 0.00 O ATOM 7 C2' DT A 1 2.181 -6.830 -0.086 1.00 0.00 C ATOM 8 C1' DT A 1 2.209 -5.423 -0.670 1.00 0.00 C ATOM 9 N1 DT A 1 1.073 -4.504 -0.420 1.00 0.00 N ATOM 10 C2 DT A 1 1.320 -3.155 -0.270 1.00 0.00 C ATOM 11 O2 DT A 1 2.433 -2.663 -0.224 1.00 0.00 O ATOM 12 N3 DT A 1 0.197 -2.352 -0.230 1.00 0.00 N ATOM 13 C4 DT A 1 -1.112 -2.765 -0.320 1.00 0.00 C ATOM 14 O4 DT A 1 -2.049 -1.988 -0.279 1.00 0.00 O ATOM 15 C5 DT A 1 -1.273 -4.191 -0.470 1.00 0.00 C ATOM 16 C7 DT A 1 -2.579 -4.924 -0.609 1.00 0.00 C ATOM 17 C6 DT A 1 -0.201 -5.006 -0.520 1.00 0.00 C ATOM 0 H5' DT A 1 3.242 -8.362 -3.893 1.00 0.00 H new ATOM 0 H5'' DT A 1 1.604 -8.226 -3.285 1.00 0.00 H new ATOM 0 H4' DT A 1 4.070 -6.754 -2.532 1.00 0.00 H new ATOM 0 H3' DT A 1 2.694 -8.747 -0.934 1.00 0.00 H new ATOM 0 H2' DT A 1 1.160 -7.211 -0.059 1.00 0.00 H new ATOM 0 H2'' DT A 1 2.545 -6.823 0.941 1.00 0.00 H new ATOM 0 HO5' DT A 1 2.070 -5.834 -4.231 1.00 0.00 H new ATOM 0 H1' DT A 1 3.016 -4.876 -0.182 1.00 0.00 H new ATOM 0 H3 DT A 1 0.354 -1.350 -0.123 1.00 0.00 H new ATOM 0 H71 DT A 1 -2.430 -5.823 -1.208 1.00 0.00 H new ATOM 0 H72 DT A 1 -2.947 -5.203 0.379 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.308 -4.279 -1.099 1.00 0.00 H new ATOM 0 H6 DT A 1 -0.346 -6.069 -0.640 1.00 0.00 H new ATOM 30 P DG A 2 4.863 -8.233 0.963 1.00 0.00 P ATOM 31 OP1 DG A 2 6.122 -9.008 1.004 1.00 0.00 O ATOM 32 OP2 DG A 2 3.781 -8.967 1.655 1.00 0.00 O ATOM 33 O5' DG A 2 5.050 -6.704 1.528 1.00 0.00 O ATOM 34 C5' DG A 2 6.198 -5.968 1.021 1.00 0.00 C ATOM 35 C4' DG A 2 6.378 -4.537 1.573 1.00 0.00 C ATOM 36 O4' DG A 2 5.205 -3.723 1.481 1.00 0.00 O ATOM 37 C3' DG A 2 6.797 -4.609 3.036 1.00 0.00 C ATOM 38 O3' DG A 2 8.070 -3.942 3.236 1.00 0.00 O ATOM 39 C2' DG A 2 5.608 -4.075 3.794 1.00 0.00 C ATOM 40 C1' DG A 2 4.947 -3.178 2.778 1.00 0.00 C ATOM 41 N9 DG A 2 3.515 -3.013 2.960 1.00 0.00 N ATOM 42 C8 DG A 2 2.611 -4.052 2.880 1.00 0.00 C ATOM 43 N7 DG A 2 1.360 -3.677 2.960 1.00 0.00 N ATOM 44 C5 DG A 2 1.431 -2.290 3.100 1.00 0.00 C ATOM 45 C6 DG A 2 0.399 -1.331 3.230 1.00 0.00 C ATOM 46 O6 DG A 2 -0.792 -1.589 3.223 1.00 0.00 O ATOM 47 N1 DG A 2 0.919 -0.031 3.350 1.00 0.00 N ATOM 48 C2 DG A 2 2.262 0.290 3.350 1.00 0.00 C ATOM 49 N2 DG A 2 2.600 1.626 3.401 1.00 0.00 N ATOM 50 N3 DG A 2 3.233 -0.611 3.220 1.00 0.00 N ATOM 51 C4 DG A 2 2.751 -1.877 3.100 1.00 0.00 C ATOM 0 H5' DG A 2 6.118 -5.911 -0.065 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.099 -6.539 1.245 1.00 0.00 H new ATOM 0 H4' DG A 2 7.142 -4.069 0.951 1.00 0.00 H new ATOM 0 H3' DG A 2 7.014 -5.610 3.408 1.00 0.00 H new ATOM 0 H2' DG A 2 4.944 -4.875 4.122 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.909 -3.525 4.686 1.00 0.00 H new ATOM 0 H1' DG A 2 5.371 -2.182 2.903 1.00 0.00 H new ATOM 0 H8 DG A 2 2.909 -5.083 2.762 1.00 0.00 H new ATOM 0 H1 DG A 2 0.252 0.735 3.444 1.00 0.00 H new ATOM 0 H21 DG A 2 3.581 1.904 3.403 1.00 0.00 H new ATOM 0 H22 DG A 2 1.869 2.336 3.437 1.00 0.00 H new ATOM 63 P DA A 3 8.687 -3.878 4.743 1.00 0.00 P ATOM 64 OP1 DA A 3 10.160 -3.737 4.720 1.00 0.00 O ATOM 65 OP2 DA A 3 8.291 -5.038 5.570 1.00 0.00 O ATOM 66 O5' DA A 3 7.948 -2.499 5.220 1.00 0.00 O ATOM 67 C5' DA A 3 8.331 -1.307 4.495 1.00 0.00 C ATOM 68 C4' DA A 3 7.771 0.013 4.945 1.00 0.00 C ATOM 69 O4' DA A 3 6.358 0.087 4.808 1.00 0.00 O ATOM 70 C3' DA A 3 8.244 0.284 6.358 1.00 0.00 C ATOM 71 O3' DA A 3 8.848 1.604 6.442 1.00 0.00 O ATOM 72 C2' DA A 3 6.970 0.051 7.078 1.00 0.00 C ATOM 73 C1' DA A 3 5.870 0.366 6.099 1.00 0.00 C ATOM 74 N9 DA A 3 4.615 -0.371 6.340 1.00 0.00 N ATOM 75 C8 DA A 3 4.519 -1.735 6.260 1.00 0.00 C ATOM 76 N7 DA A 3 3.298 -2.174 6.330 1.00 0.00 N ATOM 77 C5 DA A 3 2.540 -1.026 6.480 1.00 0.00 C ATOM 78 C6 DA A 3 1.152 -0.813 6.610 1.00 0.00 C ATOM 79 N6 DA A 3 0.280 -1.836 6.615 1.00 0.00 N ATOM 80 N1 DA A 3 0.730 0.454 6.730 1.00 0.00 N ATOM 81 C2 DA A 3 1.628 1.435 6.720 1.00 0.00 C ATOM 82 N3 DA A 3 2.936 1.369 6.600 1.00 0.00 N ATOM 83 C4 DA A 3 3.329 0.087 6.480 1.00 0.00 C ATOM 0 H5' DA A 3 8.050 -1.448 3.451 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.418 -1.234 4.526 1.00 0.00 H new ATOM 0 H4' DA A 3 8.147 0.800 4.292 1.00 0.00 H new ATOM 0 H3' DA A 3 9.049 -0.324 6.772 1.00 0.00 H new ATOM 0 H2' DA A 3 6.901 -0.981 7.422 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.900 0.687 7.960 1.00 0.00 H new ATOM 0 H1' DA A 3 5.608 1.417 6.219 1.00 0.00 H new ATOM 0 H8 DA A 3 5.376 -2.383 6.149 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.719 -1.654 6.710 1.00 0.00 H new ATOM 0 H62 DA A 3 0.617 -2.794 6.523 1.00 0.00 H new ATOM 0 H2 DA A 3 1.224 2.431 6.826 1.00 0.00 H new ATOM 95 P DT A 4 9.394 2.129 7.883 1.00 0.00 P ATOM 96 OP1 DT A 4 10.516 3.082 7.728 1.00 0.00 O ATOM 97 OP2 DT A 4 9.773 1.023 8.788 1.00 0.00 O ATOM 98 O5' DT A 4 8.025 2.871 8.366 1.00 0.00 O ATOM 99 C5' DT A 4 7.588 4.019 7.593 1.00 0.00 C ATOM 100 C4' DT A 4 6.279 4.602 8.124 1.00 0.00 C ATOM 101 O4' DT A 4 5.230 3.620 8.043 1.00 0.00 O ATOM 102 C3' DT A 4 6.377 5.205 9.524 1.00 0.00 C ATOM 103 O3' DT A 4 5.944 6.593 9.489 1.00 0.00 O ATOM 104 C2' DT A 4 5.475 4.257 10.252 1.00 0.00 C ATOM 105 C1' DT A 4 4.507 3.695 9.261 1.00 0.00 C ATOM 106 N1 DT A 4 3.952 2.412 9.720 1.00 0.00 N ATOM 107 C2 DT A 4 2.593 2.230 9.870 1.00 0.00 C ATOM 108 O2 DT A 4 1.782 3.138 9.912 1.00 0.00 O ATOM 109 N3 DT A 4 2.176 0.915 9.910 1.00 0.00 N ATOM 110 C4 DT A 4 2.973 -0.203 9.820 1.00 0.00 C ATOM 111 O4 DT A 4 2.525 -1.334 9.869 1.00 0.00 O ATOM 112 C5 DT A 4 4.379 0.084 9.670 1.00 0.00 C ATOM 113 C7 DT A 4 5.409 -1.003 9.659 1.00 0.00 C ATOM 114 C6 DT A 4 4.823 1.356 9.620 1.00 0.00 C ATOM 0 H5' DT A 4 7.458 3.726 6.551 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.362 4.786 7.615 1.00 0.00 H new ATOM 0 H4' DT A 4 6.037 5.446 7.477 1.00 0.00 H new ATOM 0 H3' DT A 4 7.361 5.280 9.988 1.00 0.00 H new ATOM 0 H2' DT A 4 6.054 3.458 10.715 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.945 4.773 11.053 1.00 0.00 H new ATOM 0 H1' DT A 4 3.622 4.318 9.129 1.00 0.00 H new ATOM 0 H3 DT A 4 1.174 0.756 10.017 1.00 0.00 H new ATOM 0 H71 DT A 4 5.065 -1.837 10.271 1.00 0.00 H new ATOM 0 H72 DT A 4 5.566 -1.345 8.636 1.00 0.00 H new ATOM 0 H73 DT A 4 6.347 -0.620 10.062 1.00 0.00 H new ATOM 0 H6 DT A 4 5.879 1.547 9.500 1.00 0.00 H new ATOM 127 P DC A 5 6.114 7.478 10.842 1.00 0.00 P ATOM 128 OP1 DC A 5 6.312 8.915 10.551 1.00 0.00 O ATOM 129 OP2 DC A 5 7.184 6.975 11.733 1.00 0.00 O ATOM 130 O5' DC A 5 4.632 7.156 11.424 1.00 0.00 O ATOM 131 C5' DC A 5 3.500 7.796 10.777 1.00 0.00 C ATOM 132 C4' DC A 5 2.222 7.518 11.600 1.00 0.00 C ATOM 133 O4' DC A 5 1.818 6.130 11.564 1.00 0.00 O ATOM 134 C3' DC A 5 2.358 8.021 13.040 1.00 0.00 C ATOM 135 O3' DC A 5 1.247 8.899 13.393 1.00 0.00 O ATOM 136 C2' DC A 5 2.336 6.689 13.737 1.00 0.00 C ATOM 137 C1' DC A 5 1.507 5.718 12.896 1.00 0.00 C ATOM 138 N1 DC A 5 1.779 4.274 13.100 1.00 0.00 N ATOM 139 C2 DC A 5 0.788 3.307 13.250 1.00 0.00 C ATOM 140 O2 DC A 5 -0.399 3.599 13.292 1.00 0.00 O ATOM 141 N3 DC A 5 1.152 2.003 13.300 1.00 0.00 N ATOM 142 C4 DC A 5 2.437 1.644 13.200 1.00 0.00 C ATOM 143 N4 DC A 5 2.802 0.291 13.293 1.00 0.00 N ATOM 144 C5 DC A 5 3.474 2.618 13.050 1.00 0.00 C ATOM 145 C6 DC A 5 3.086 3.921 13.000 1.00 0.00 C ATOM 0 H5' DC A 5 3.383 7.416 9.762 1.00 0.00 H new ATOM 0 H5'' DC A 5 3.670 8.870 10.698 1.00 0.00 H new ATOM 0 H4' DC A 5 1.424 8.084 11.120 1.00 0.00 H new ATOM 0 H3' DC A 5 3.226 8.636 13.276 1.00 0.00 H new ATOM 0 H2' DC A 5 3.350 6.310 13.864 1.00 0.00 H new ATOM 0 H2'' DC A 5 1.906 6.790 14.734 1.00 0.00 H new ATOM 0 H1' DC A 5 0.453 5.774 13.169 1.00 0.00 H new ATOM 0 H41 DC A 5 3.783 0.021 13.216 1.00 0.00 H new ATOM 0 H42 DC A 5 2.086 -0.421 13.437 1.00 0.00 H new ATOM 0 H5 DC A 5 4.513 2.333 12.980 1.00 0.00 H new ATOM 0 H6 DC A 5 3.834 4.691 12.878 1.00 0.00 H new ATOM 157 P DA A 6 1.153 9.480 14.922 1.00 0.00 P ATOM 158 OP1 DA A 6 0.617 10.859 14.955 1.00 0.00 O ATOM 159 OP2 DA A 6 2.440 9.410 15.647 1.00 0.00 O ATOM 160 O5' DA A 6 0.071 8.393 15.504 1.00 0.00 O ATOM 161 C5' DA A 6 -1.237 8.427 14.886 1.00 0.00 C ATOM 162 C4' DA A 6 -2.338 7.615 15.598 1.00 0.00 C ATOM 163 O4' DA A 6 -2.211 6.208 15.333 1.00 0.00 O ATOM 164 C3' DA A 6 -2.468 7.836 17.105 1.00 0.00 C ATOM 165 O3' DA A 6 -3.805 8.134 17.530 1.00 0.00 O ATOM 166 C2' DA A 6 -2.004 6.517 17.671 1.00 0.00 C ATOM 167 C1' DA A 6 -2.168 5.480 16.561 1.00 0.00 C ATOM 168 N9 DA A 6 -1.073 4.504 16.480 1.00 0.00 N ATOM 169 C8 DA A 6 0.253 4.833 16.400 1.00 0.00 C ATOM 170 N7 DA A 6 1.049 3.808 16.470 1.00 0.00 N ATOM 171 C5 DA A 6 0.191 2.733 16.620 1.00 0.00 C ATOM 172 C6 DA A 6 0.417 1.347 16.750 1.00 0.00 C ATOM 173 N6 DA A 6 1.654 0.823 16.732 1.00 0.00 N ATOM 174 N1 DA A 6 -0.658 0.554 16.870 1.00 0.00 N ATOM 175 C2 DA A 6 -1.868 1.105 16.860 1.00 0.00 C ATOM 176 N3 DA A 6 -2.210 2.370 16.740 1.00 0.00 N ATOM 177 C4 DA A 6 -1.112 3.139 16.620 1.00 0.00 C ATOM 0 H5' DA A 6 -1.145 8.060 13.864 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.561 9.466 14.823 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.256 8.009 15.163 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.893 8.700 17.440 1.00 0.00 H new ATOM 0 H2' DA A 6 -0.964 6.578 17.993 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.593 6.243 18.546 1.00 0.00 H new ATOM 0 HO3' DA A 6 -3.819 8.262 18.502 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.071 4.905 16.768 1.00 0.00 H new ATOM 0 H8 DA A 6 0.605 5.848 16.289 1.00 0.00 H new ATOM 0 H61 DA A 6 1.783 -0.184 16.829 1.00 0.00 H new ATOM 0 H62 DA A 6 2.464 1.432 16.622 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.690 0.413 16.966 1.00 0.00 H new TER 190 DA A 6 ATOM 191 O5' DT B 1 -2.322 -6.779 21.371 1.00 0.00 O ATOM 192 C5' DT B 1 -2.617 -7.697 20.312 1.00 0.00 C ATOM 193 C4' DT B 1 -3.094 -6.967 19.030 1.00 0.00 C ATOM 194 O4' DT B 1 -2.393 -5.713 18.870 1.00 0.00 O ATOM 195 C3' DT B 1 -3.032 -7.761 17.699 1.00 0.00 C ATOM 196 O3' DT B 1 -4.405 -7.907 17.227 1.00 0.00 O ATOM 197 C2' DT B 1 -2.128 -6.845 16.891 1.00 0.00 C ATOM 198 C1' DT B 1 -2.210 -5.442 17.485 1.00 0.00 C ATOM 199 N1 DT B 1 -1.073 -4.504 17.320 1.00 0.00 N ATOM 200 C2 DT B 1 -1.320 -3.155 17.170 1.00 0.00 C ATOM 201 O2 DT B 1 -2.433 -2.663 17.116 1.00 0.00 O ATOM 202 N3 DT B 1 -0.197 -2.352 17.130 1.00 0.00 N ATOM 203 C4 DT B 1 1.112 -2.765 17.220 1.00 0.00 C ATOM 204 O4 DT B 1 2.052 -1.992 17.185 1.00 0.00 O ATOM 205 C5 DT B 1 1.273 -4.191 17.370 1.00 0.00 C ATOM 206 C7 DT B 1 2.598 -4.878 17.571 1.00 0.00 C ATOM 207 C6 DT B 1 0.201 -5.006 17.420 1.00 0.00 C ATOM 0 H5' DT B 1 -3.387 -8.395 20.640 1.00 0.00 H new ATOM 0 H5'' DT B 1 -1.729 -8.287 20.085 1.00 0.00 H new ATOM 0 H4' DT B 1 -4.159 -6.820 19.212 1.00 0.00 H new ATOM 0 H3' DT B 1 -2.644 -8.780 17.696 1.00 0.00 H new ATOM 0 H2' DT B 1 -1.100 -7.208 16.916 1.00 0.00 H new ATOM 0 H2'' DT B 1 -2.437 -6.833 15.846 1.00 0.00 H new ATOM 0 HO5' DT B 1 -2.173 -5.885 20.997 1.00 0.00 H new ATOM 0 H1' DT B 1 -2.992 -4.902 16.951 1.00 0.00 H new ATOM 0 H3 DT B 1 -0.354 -1.350 17.023 1.00 0.00 H new ATOM 0 H71 DT B 1 2.453 -5.784 18.159 1.00 0.00 H new ATOM 0 H72 DT B 1 3.023 -5.139 16.602 1.00 0.00 H new ATOM 0 H73 DT B 1 3.279 -4.209 18.097 1.00 0.00 H new ATOM 0 H6 DT B 1 0.346 -6.069 17.540 1.00 0.00 H new ATOM 220 P DG B 2 -4.708 -8.293 15.671 1.00 0.00 P ATOM 221 OP1 DG B 2 -5.918 -9.133 15.539 1.00 0.00 O ATOM 222 OP2 DG B 2 -3.553 -8.944 15.011 1.00 0.00 O ATOM 223 O5' DG B 2 -4.951 -6.757 15.149 1.00 0.00 O ATOM 224 C5' DG B 2 -6.160 -6.103 15.629 1.00 0.00 C ATOM 225 C4' DG B 2 -6.395 -4.665 15.116 1.00 0.00 C ATOM 226 O4' DG B 2 -5.274 -3.794 15.299 1.00 0.00 O ATOM 227 C3' DG B 2 -6.738 -4.714 13.633 1.00 0.00 C ATOM 228 O3' DG B 2 -8.024 -4.097 13.367 1.00 0.00 O ATOM 229 C2' DG B 2 -5.529 -4.113 12.965 1.00 0.00 C ATOM 230 C1' DG B 2 -4.955 -3.211 14.032 1.00 0.00 C ATOM 231 N9 DG B 2 -3.515 -3.013 13.940 1.00 0.00 N ATOM 232 C8 DG B 2 -2.611 -4.052 14.020 1.00 0.00 C ATOM 233 N7 DG B 2 -1.360 -3.677 13.940 1.00 0.00 N ATOM 234 C5 DG B 2 -1.431 -2.290 13.800 1.00 0.00 C ATOM 235 C6 DG B 2 -0.399 -1.331 13.670 1.00 0.00 C ATOM 236 O6 DG B 2 0.792 -1.589 13.678 1.00 0.00 O ATOM 237 N1 DG B 2 -0.919 -0.031 13.550 1.00 0.00 N ATOM 238 C2 DG B 2 -2.262 0.290 13.550 1.00 0.00 C ATOM 239 N2 DG B 2 -2.601 1.625 13.471 1.00 0.00 N ATOM 240 N3 DG B 2 -3.233 -0.611 13.680 1.00 0.00 N ATOM 241 C4 DG B 2 -2.751 -1.877 13.800 1.00 0.00 C ATOM 0 H5' DG B 2 -6.130 -6.080 16.718 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.017 -6.714 15.347 1.00 0.00 H new ATOM 0 H4' DG B 2 -7.214 -4.256 15.708 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.903 -5.713 13.228 1.00 0.00 H new ATOM 0 H2' DG B 2 -4.816 -4.879 12.659 1.00 0.00 H new ATOM 0 H2'' DG B 2 -5.800 -3.554 12.069 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.394 -2.222 13.900 1.00 0.00 H new ATOM 0 H8 DG B 2 -2.909 -5.083 14.138 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.252 0.735 13.456 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.582 1.903 13.468 1.00 0.00 H new ATOM 0 H22 DG B 2 -1.870 2.334 13.415 1.00 0.00 H new ATOM 253 P DA B 3 -8.530 -3.997 11.820 1.00 0.00 P ATOM 254 OP1 DA B 3 -10.006 -3.946 11.732 1.00 0.00 O ATOM 255 OP2 DA B 3 -7.999 -5.089 10.974 1.00 0.00 O ATOM 256 O5' DA B 3 -7.845 -2.555 11.464 1.00 0.00 O ATOM 257 C5' DA B 3 -8.325 -1.428 12.233 1.00 0.00 C ATOM 258 C4' DA B 3 -7.791 -0.055 11.921 1.00 0.00 C ATOM 259 O4' DA B 3 -6.381 0.058 12.088 1.00 0.00 O ATOM 260 C3' DA B 3 -8.235 0.321 10.524 1.00 0.00 C ATOM 261 O3' DA B 3 -8.759 1.678 10.518 1.00 0.00 O ATOM 262 C2' DA B 3 -6.963 0.080 9.808 1.00 0.00 C ATOM 263 C1' DA B 3 -5.873 0.363 10.805 1.00 0.00 C ATOM 264 N9 DA B 3 -4.615 -0.371 10.560 1.00 0.00 N ATOM 265 C8 DA B 3 -4.519 -1.735 10.640 1.00 0.00 C ATOM 266 N7 DA B 3 -3.298 -2.174 10.570 1.00 0.00 N ATOM 267 C5 DA B 3 -2.540 -1.026 10.420 1.00 0.00 C ATOM 268 C6 DA B 3 -1.152 -0.813 10.290 1.00 0.00 C ATOM 269 N6 DA B 3 -0.280 -1.836 10.279 1.00 0.00 N ATOM 270 N1 DA B 3 -0.730 0.454 10.170 1.00 0.00 N ATOM 271 C2 DA B 3 -1.628 1.435 10.180 1.00 0.00 C ATOM 272 N3 DA B 3 -2.936 1.369 10.300 1.00 0.00 N ATOM 273 C4 DA B 3 -3.329 0.087 10.420 1.00 0.00 C ATOM 0 H5' DA B 3 -8.116 -1.632 13.283 1.00 0.00 H new ATOM 0 H5'' DA B 3 -9.409 -1.393 12.125 1.00 0.00 H new ATOM 0 H4' DA B 3 -8.203 0.649 12.643 1.00 0.00 H new ATOM 0 H3' DA B 3 -9.063 -0.223 10.070 1.00 0.00 H new ATOM 0 H2' DA B 3 -6.906 -0.947 9.447 1.00 0.00 H new ATOM 0 H2'' DA B 3 -6.875 0.730 8.937 1.00 0.00 H new ATOM 0 H1' DA B 3 -5.602 1.415 10.713 1.00 0.00 H new ATOM 0 H8 DA B 3 -5.376 -2.383 10.751 1.00 0.00 H new ATOM 0 H61 DA B 3 0.719 -1.654 10.184 1.00 0.00 H new ATOM 0 H62 DA B 3 -0.617 -2.795 10.366 1.00 0.00 H new ATOM 0 H2 DA B 3 -1.224 2.431 10.074 1.00 0.00 H new ATOM 285 P DT B 4 -9.368 2.283 9.135 1.00 0.00 P ATOM 286 OP1 DT B 4 -10.436 3.273 9.399 1.00 0.00 O ATOM 287 OP2 DT B 4 -9.855 1.228 8.219 1.00 0.00 O ATOM 288 O5' DT B 4 -8.001 2.987 8.586 1.00 0.00 O ATOM 289 C5' DT B 4 -7.506 4.126 9.340 1.00 0.00 C ATOM 290 C4' DT B 4 -6.189 4.681 8.790 1.00 0.00 C ATOM 291 O4' DT B 4 -5.172 3.666 8.860 1.00 0.00 O ATOM 292 C3' DT B 4 -6.261 5.302 7.393 1.00 0.00 C ATOM 293 O3' DT B 4 -5.658 6.632 7.411 1.00 0.00 O ATOM 294 C2' DT B 4 -5.450 4.290 6.650 1.00 0.00 C ATOM 295 C1' DT B 4 -4.478 3.712 7.627 1.00 0.00 C ATOM 296 N1 DT B 4 -3.952 2.412 7.180 1.00 0.00 N ATOM 297 C2 DT B 4 -2.593 2.230 7.030 1.00 0.00 C ATOM 298 O2 DT B 4 -1.780 3.136 6.983 1.00 0.00 O ATOM 299 N3 DT B 4 -2.176 0.915 6.990 1.00 0.00 N ATOM 300 C4 DT B 4 -2.973 -0.203 7.080 1.00 0.00 C ATOM 301 O4 DT B 4 -2.526 -1.334 7.030 1.00 0.00 O ATOM 302 C5 DT B 4 -4.379 0.084 7.230 1.00 0.00 C ATOM 303 C7 DT B 4 -5.416 -0.995 7.212 1.00 0.00 C ATOM 304 C6 DT B 4 -4.823 1.356 7.280 1.00 0.00 C ATOM 0 H5' DT B 4 -7.364 3.832 10.380 1.00 0.00 H new ATOM 0 H5'' DT B 4 -8.258 4.915 9.332 1.00 0.00 H new ATOM 0 H4' DT B 4 -5.934 5.524 9.433 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.251 5.472 6.970 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.090 3.511 6.235 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.927 4.753 5.813 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.578 4.319 7.726 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.174 0.756 6.883 1.00 0.00 H new ATOM 0 H71 DT B 4 -5.075 -1.817 6.583 1.00 0.00 H new ATOM 0 H72 DT B 4 -5.580 -1.359 8.226 1.00 0.00 H new ATOM 0 H73 DT B 4 -6.349 -0.596 6.814 1.00 0.00 H new ATOM 0 H6 DT B 4 -5.879 1.547 7.400 1.00 0.00 H new ATOM 317 P DC B 5 -5.916 7.618 6.139 1.00 0.00 P ATOM 318 OP1 DC B 5 -6.012 9.036 6.552 1.00 0.00 O ATOM 319 OP2 DC B 5 -7.102 7.234 5.342 1.00 0.00 O ATOM 320 O5' DC B 5 -4.521 7.288 5.360 1.00 0.00 O ATOM 321 C5' DC B 5 -3.330 7.959 5.851 1.00 0.00 C ATOM 322 C4' DC B 5 -2.087 7.604 5.004 1.00 0.00 C ATOM 323 O4' DC B 5 -1.731 6.222 5.164 1.00 0.00 O ATOM 324 C3' DC B 5 -2.186 7.979 3.516 1.00 0.00 C ATOM 325 O3' DC B 5 -1.013 8.759 3.106 1.00 0.00 O ATOM 326 C2' DC B 5 -2.200 6.602 2.914 1.00 0.00 C ATOM 327 C1' DC B 5 -1.444 5.703 3.874 1.00 0.00 C ATOM 328 N1 DC B 5 -1.779 4.274 3.800 1.00 0.00 N ATOM 329 C2 DC B 5 -0.788 3.307 3.650 1.00 0.00 C ATOM 330 O2 DC B 5 0.399 3.595 3.566 1.00 0.00 O ATOM 331 N3 DC B 5 -1.152 2.003 3.600 1.00 0.00 N ATOM 332 C4 DC B 5 -2.437 1.644 3.700 1.00 0.00 C ATOM 333 N4 DC B 5 -2.798 0.288 3.645 1.00 0.00 N ATOM 334 C5 DC B 5 -3.474 2.618 3.850 1.00 0.00 C ATOM 335 C6 DC B 5 -3.086 3.921 3.900 1.00 0.00 C ATOM 0 H5' DC B 5 -3.156 7.678 6.890 1.00 0.00 H new ATOM 0 H5'' DC B 5 -3.486 9.038 5.834 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.289 8.232 5.400 1.00 0.00 H new ATOM 0 H3' DC B 5 -3.034 8.602 3.231 1.00 0.00 H new ATOM 0 H2' DC B 5 -3.222 6.249 2.776 1.00 0.00 H new ATOM 0 H2'' DC B 5 -1.728 6.604 1.931 1.00 0.00 H new ATOM 0 H1' DC B 5 -0.385 5.719 3.617 1.00 0.00 H new ATOM 0 H41 DC B 5 -3.779 0.018 3.722 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.080 -0.427 3.528 1.00 0.00 H new ATOM 0 H5 DC B 5 -4.513 2.333 3.920 1.00 0.00 H new ATOM 0 H6 DC B 5 -3.834 4.691 4.022 1.00 0.00 H new ATOM 347 P DA B 6 -0.828 9.182 1.532 1.00 0.00 P ATOM 348 OP1 DA B 6 -0.273 10.546 1.395 1.00 0.00 O ATOM 349 OP2 DA B 6 -2.082 9.060 0.757 1.00 0.00 O ATOM 350 O5' DA B 6 0.269 8.037 1.088 1.00 0.00 O ATOM 351 C5' DA B 6 1.581 8.112 1.703 1.00 0.00 C ATOM 352 C4' DA B 6 2.732 7.374 0.971 1.00 0.00 C ATOM 353 O4' DA B 6 2.664 5.944 1.116 1.00 0.00 O ATOM 354 C3' DA B 6 2.921 7.715 -0.507 1.00 0.00 C ATOM 355 O3' DA B 6 4.274 8.038 -0.857 1.00 0.00 O ATOM 356 C2' DA B 6 2.494 6.438 -1.189 1.00 0.00 C ATOM 357 C1' DA B 6 2.636 5.298 -0.167 1.00 0.00 C ATOM 358 N9 DA B 6 1.518 4.331 -0.159 1.00 0.00 N ATOM 359 C8 DA B 6 0.239 4.738 -0.065 1.00 0.00 C ATOM 360 N7 DA B 6 -0.635 3.691 0.033 1.00 0.00 N ATOM 361 C5 DA B 6 0.179 2.604 -0.014 1.00 0.00 C ATOM 362 C6 DA B 6 -0.144 1.251 0.031 1.00 0.00 C ATOM 363 N6 DA B 6 -1.416 0.840 0.191 1.00 0.00 N ATOM 364 N1 DA B 6 0.859 0.334 -0.083 1.00 0.00 N ATOM 365 C2 DA B 6 2.169 0.749 -0.193 1.00 0.00 C ATOM 366 N3 DA B 6 2.489 2.081 -0.239 1.00 0.00 N ATOM 367 C4 DA B 6 1.485 2.986 -0.139 1.00 0.00 C ATOM 0 H5' DA B 6 1.507 7.711 2.714 1.00 0.00 H new ATOM 0 H5'' DA B 6 1.854 9.163 1.796 1.00 0.00 H new ATOM 0 H4' DA B 6 3.608 7.762 1.490 1.00 0.00 H new ATOM 0 H3' DA B 6 2.356 8.603 -0.792 1.00 0.00 H new ATOM 0 H2' DA B 6 1.464 6.515 -1.537 1.00 0.00 H new ATOM 0 H2'' DA B 6 3.113 6.246 -2.066 1.00 0.00 H new ATOM 0 HO3' DA B 6 4.324 8.244 -1.814 1.00 0.00 H new ATOM 0 H1' DA B 6 3.526 4.722 -0.418 1.00 0.00 H new ATOM 0 H8 DA B 6 -0.063 5.775 -0.067 1.00 0.00 H new ATOM 0 H61 DA B 6 -1.630 -0.157 0.221 1.00 0.00 H new ATOM 0 H62 DA B 6 -2.166 1.526 0.282 1.00 0.00 H new ATOM 0 H2 DA B 6 2.957 0.012 -0.244 1.00 0.00 H new TER 380 DA B 6