USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 232 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 9 DT C7 :methyl 150:sc= -0.0823 (180deg=-0.0488) USER MOD Set 1.2: B 9 DT C7 :methyl 150:sc= -0.16 (180deg=-0.127) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.354 (180deg=-0.354) USER MOD Single : A 5 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 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.0698 (180deg=-0.252) USER MOD Single : B 5 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 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.185 -2.094 11.815 1.00 0.00 P ATOM 2 OP1 DT A 1 6.163 -2.460 12.861 1.00 0.00 O ATOM 3 OP2 DT A 1 4.748 -0.692 11.655 1.00 0.00 O ATOM 4 O5' DT A 1 5.751 -2.613 10.395 1.00 0.00 O ATOM 5 C5' DT A 1 5.772 -1.764 9.260 1.00 0.00 C ATOM 6 C4' DT A 1 6.001 -2.578 7.983 1.00 0.00 C ATOM 7 O4' DT A 1 4.990 -3.567 7.823 1.00 0.00 O ATOM 8 C3' DT A 1 5.940 -1.684 6.738 1.00 0.00 C ATOM 9 O3' DT A 1 6.785 -2.184 5.715 1.00 0.00 O ATOM 10 C2' DT A 1 4.478 -1.792 6.318 1.00 0.00 C ATOM 11 C1' DT A 1 4.110 -3.212 6.766 1.00 0.00 C ATOM 12 N1 DT A 1 2.701 -3.355 7.234 1.00 0.00 N ATOM 13 C2 DT A 1 1.836 -4.192 6.515 1.00 0.00 C ATOM 14 O2 DT A 1 2.110 -4.693 5.421 1.00 0.00 O ATOM 15 N3 DT A 1 0.581 -4.390 7.058 1.00 0.00 N ATOM 16 C4 DT A 1 0.069 -3.770 8.178 1.00 0.00 C ATOM 17 O4 DT A 1 -1.103 -3.976 8.490 1.00 0.00 O ATOM 18 C5 DT A 1 1.003 -2.875 8.852 1.00 0.00 C ATOM 19 C7 DT A 1 0.566 -2.115 10.093 1.00 0.00 C ATOM 20 C6 DT A 1 2.263 -2.702 8.372 1.00 0.00 C ATOM 0 H5' DT A 1 6.561 -1.020 9.370 1.00 0.00 H new ATOM 0 H5'' DT A 1 4.830 -1.221 9.188 1.00 0.00 H new ATOM 0 H4' DT A 1 6.985 -3.037 8.082 1.00 0.00 H new ATOM 0 H3' DT A 1 6.268 -0.662 6.926 1.00 0.00 H new ATOM 0 H2' DT A 1 3.859 -1.039 6.805 1.00 0.00 H new ATOM 0 H2'' DT A 1 4.353 -1.660 5.243 1.00 0.00 H new ATOM 0 H1' DT A 1 4.206 -3.868 5.900 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.025 -5.060 6.584 1.00 0.00 H new ATOM 0 H71 DT A 1 1.427 -1.949 10.740 1.00 0.00 H new ATOM 0 H72 DT A 1 0.141 -1.155 9.801 1.00 0.00 H new ATOM 0 H73 DT A 1 -0.184 -2.696 10.630 1.00 0.00 H new ATOM 0 H6 DT A 1 2.938 -2.039 8.892 1.00 0.00 H new ATOM 33 P DC A 2 8.378 -1.905 5.709 1.00 0.00 P ATOM 34 OP1 DC A 2 9.015 -3.138 5.156 1.00 0.00 O ATOM 35 OP2 DC A 2 8.745 -1.428 7.061 1.00 0.00 O ATOM 36 O5' DC A 2 8.539 -0.665 4.671 1.00 0.00 O ATOM 37 C5' DC A 2 8.049 0.648 4.950 1.00 0.00 C ATOM 38 C4' DC A 2 8.040 1.537 3.686 1.00 0.00 C ATOM 39 O4' DC A 2 6.957 1.149 2.845 1.00 0.00 O ATOM 40 C3' DC A 2 7.871 3.040 4.005 1.00 0.00 C ATOM 41 O3' DC A 2 8.954 3.915 3.634 1.00 0.00 O ATOM 42 C2' DC A 2 6.513 3.413 3.407 1.00 0.00 C ATOM 43 C1' DC A 2 6.091 2.225 2.531 1.00 0.00 C ATOM 44 N1 DC A 2 4.685 1.786 2.771 1.00 0.00 N ATOM 45 C2 DC A 2 3.772 1.752 1.701 1.00 0.00 C ATOM 46 O2 DC A 2 4.077 2.065 0.546 1.00 0.00 O ATOM 47 N3 DC A 2 2.492 1.402 1.953 1.00 0.00 N ATOM 48 C4 DC A 2 2.108 1.055 3.162 1.00 0.00 C ATOM 49 N4 DC A 2 0.838 0.771 3.296 1.00 0.00 N ATOM 50 C5 DC A 2 2.989 1.063 4.282 1.00 0.00 C ATOM 51 C6 DC A 2 4.274 1.429 4.038 1.00 0.00 C ATOM 0 H5' DC A 2 8.669 1.112 5.717 1.00 0.00 H new ATOM 0 H5'' DC A 2 7.039 0.581 5.355 1.00 0.00 H new ATOM 0 H4' DC A 2 9.006 1.397 3.200 1.00 0.00 H new ATOM 0 H3' DC A 2 7.905 3.193 5.084 1.00 0.00 H new ATOM 0 H2' DC A 2 5.780 3.598 4.192 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.585 4.326 2.816 1.00 0.00 H new ATOM 0 H1' DC A 2 6.152 2.532 1.487 1.00 0.00 H new ATOM 0 H41 DC A 2 0.471 0.494 4.206 1.00 0.00 H new ATOM 0 H42 DC A 2 0.215 0.827 2.490 1.00 0.00 H new ATOM 0 H5 DC A 2 2.653 0.792 5.272 1.00 0.00 H new ATOM 0 H6 DC A 2 4.986 1.441 4.850 1.00 0.00 H new ATOM 63 P DG A 3 9.552 4.153 2.131 1.00 0.00 P ATOM 64 OP1 DG A 3 9.805 2.844 1.480 1.00 0.00 O ATOM 65 OP2 DG A 3 10.632 5.164 2.181 1.00 0.00 O ATOM 66 O5' DG A 3 8.376 4.903 1.352 1.00 0.00 O ATOM 67 C5' DG A 3 7.859 4.469 0.108 1.00 0.00 C ATOM 68 C4' DG A 3 6.615 5.307 -0.222 1.00 0.00 C ATOM 69 O4' DG A 3 5.520 4.847 0.548 1.00 0.00 O ATOM 70 C3' DG A 3 6.740 6.814 0.118 1.00 0.00 C ATOM 71 O3' DG A 3 7.234 7.738 -0.853 1.00 0.00 O ATOM 72 C2' DG A 3 5.313 7.211 0.454 1.00 0.00 C ATOM 73 C1' DG A 3 4.603 5.898 0.779 1.00 0.00 C ATOM 74 N9 DG A 3 4.081 5.774 2.165 1.00 0.00 N ATOM 75 C8 DG A 3 4.645 6.134 3.365 1.00 0.00 C ATOM 76 N7 DG A 3 3.955 5.764 4.412 1.00 0.00 N ATOM 77 C5 DG A 3 2.828 5.134 3.875 1.00 0.00 C ATOM 78 C6 DG A 3 1.681 4.509 4.488 1.00 0.00 C ATOM 79 O6 DG A 3 1.405 4.326 5.671 1.00 0.00 O ATOM 80 N1 DG A 3 0.752 4.062 3.572 1.00 0.00 N ATOM 81 C2 DG A 3 0.886 4.194 2.232 1.00 0.00 C ATOM 82 N2 DG A 3 -0.135 3.814 1.518 1.00 0.00 N ATOM 83 N3 DG A 3 1.922 4.774 1.624 1.00 0.00 N ATOM 84 C4 DG A 3 2.877 5.198 2.499 1.00 0.00 C ATOM 0 H5' DG A 3 7.602 3.411 0.153 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.610 4.581 -0.674 1.00 0.00 H new ATOM 0 H4' DG A 3 6.486 5.195 -1.299 1.00 0.00 H new ATOM 0 H3' DG A 3 7.507 6.887 0.889 1.00 0.00 H new ATOM 0 H2' DG A 3 5.283 7.896 1.301 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.837 7.720 -0.384 1.00 0.00 H new ATOM 0 H1' DG A 3 3.723 5.860 0.137 1.00 0.00 H new ATOM 0 H8 DG A 3 5.577 6.675 3.437 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.088 3.604 3.926 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.101 3.886 0.501 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.968 3.444 1.976 1.00 0.00 H new ATOM 96 P DT A 4 7.443 7.417 -2.420 1.00 0.00 P ATOM 97 OP1 DT A 4 8.476 6.358 -2.381 1.00 0.00 O ATOM 98 OP2 DT A 4 7.767 8.694 -3.073 1.00 0.00 O ATOM 99 O5' DT A 4 5.996 6.886 -2.967 1.00 0.00 O ATOM 100 C5' DT A 4 5.843 5.815 -3.901 1.00 0.00 C ATOM 101 C4' DT A 4 4.721 6.059 -4.940 1.00 0.00 C ATOM 102 O4' DT A 4 3.413 5.934 -4.380 1.00 0.00 O ATOM 103 C3' DT A 4 4.778 7.407 -5.659 1.00 0.00 C ATOM 104 O3' DT A 4 4.629 7.221 -7.049 1.00 0.00 O ATOM 105 C2' DT A 4 3.555 8.147 -5.158 1.00 0.00 C ATOM 106 C1' DT A 4 2.594 6.991 -4.867 1.00 0.00 C ATOM 107 N1 DT A 4 1.593 7.378 -3.843 1.00 0.00 N ATOM 108 C2 DT A 4 0.240 7.510 -4.197 1.00 0.00 C ATOM 109 O2 DT A 4 -0.223 7.362 -5.330 1.00 0.00 O ATOM 110 N3 DT A 4 -0.624 7.846 -3.178 1.00 0.00 N ATOM 111 C4 DT A 4 -0.278 8.118 -1.876 1.00 0.00 C ATOM 112 O4 DT A 4 -1.173 8.406 -1.091 1.00 0.00 O ATOM 113 C5 DT A 4 1.147 8.022 -1.592 1.00 0.00 C ATOM 114 C7 DT A 4 1.647 8.347 -0.204 1.00 0.00 C ATOM 115 C6 DT A 4 2.023 7.655 -2.561 1.00 0.00 C ATOM 0 H5' DT A 4 5.629 4.896 -3.356 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.786 5.663 -4.425 1.00 0.00 H new ATOM 0 H4' DT A 4 4.911 5.273 -5.671 1.00 0.00 H new ATOM 0 H3' DT A 4 5.719 7.927 -5.476 1.00 0.00 H new ATOM 0 H2' DT A 4 3.769 8.736 -4.266 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.156 8.833 -5.905 1.00 0.00 H new ATOM 0 H1' DT A 4 2.036 6.702 -5.757 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.615 7.898 -3.412 1.00 0.00 H new ATOM 0 H71 DT A 4 2.540 7.759 0.008 1.00 0.00 H new ATOM 0 H72 DT A 4 1.888 9.408 -0.143 1.00 0.00 H new ATOM 0 H73 DT A 4 0.874 8.108 0.526 1.00 0.00 H new ATOM 0 H6 DT A 4 3.074 7.578 -2.325 1.00 0.00 H new ATOM 128 P DT A 5 5.402 8.172 -8.067 1.00 0.00 P ATOM 129 OP1 DT A 5 5.115 9.565 -7.675 1.00 0.00 O ATOM 130 OP2 DT A 5 4.921 7.667 -9.377 1.00 0.00 O ATOM 131 O5' DT A 5 6.924 7.755 -7.670 1.00 0.00 O ATOM 132 C5' DT A 5 8.080 7.930 -8.469 1.00 0.00 C ATOM 133 C4' DT A 5 8.079 6.919 -9.622 1.00 0.00 C ATOM 134 O4' DT A 5 8.265 7.630 -10.826 1.00 0.00 O ATOM 135 C3' DT A 5 9.134 5.802 -9.562 1.00 0.00 C ATOM 136 O3' DT A 5 8.457 4.580 -9.779 1.00 0.00 O ATOM 137 C2' DT A 5 10.029 6.110 -10.761 1.00 0.00 C ATOM 138 C1' DT A 5 9.054 6.843 -11.685 1.00 0.00 C ATOM 139 N1 DT A 5 9.658 7.747 -12.701 1.00 0.00 N ATOM 140 C2 DT A 5 9.130 7.721 -13.997 1.00 0.00 C ATOM 141 O2 DT A 5 8.259 6.944 -14.372 1.00 0.00 O ATOM 142 N3 DT A 5 9.638 8.636 -14.893 1.00 0.00 N ATOM 143 C4 DT A 5 10.626 9.563 -14.630 1.00 0.00 C ATOM 144 O4 DT A 5 10.984 10.309 -15.535 1.00 0.00 O ATOM 145 C5 DT A 5 11.126 9.547 -13.258 1.00 0.00 C ATOM 146 C7 DT A 5 12.184 10.544 -12.821 1.00 0.00 C ATOM 147 C6 DT A 5 10.625 8.668 -12.351 1.00 0.00 C ATOM 0 H5' DT A 5 8.975 7.800 -7.861 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.108 8.945 -8.865 1.00 0.00 H new ATOM 0 H4' DT A 5 7.120 6.407 -9.549 1.00 0.00 H new ATOM 0 H3' DT A 5 9.689 5.741 -8.626 1.00 0.00 H new ATOM 0 H2' DT A 5 10.882 6.731 -10.488 1.00 0.00 H new ATOM 0 H2'' DT A 5 10.428 5.205 -11.219 1.00 0.00 H new ATOM 0 H1' DT A 5 8.525 6.089 -12.268 1.00 0.00 H new ATOM 0 H3 DT A 5 9.249 8.628 -15.836 1.00 0.00 H new ATOM 0 H71 DT A 5 12.062 10.763 -11.760 1.00 0.00 H new ATOM 0 H72 DT A 5 13.174 10.122 -12.993 1.00 0.00 H new ATOM 0 H73 DT A 5 12.077 11.464 -13.396 1.00 0.00 H new ATOM 0 H6 DT A 5 10.991 8.690 -11.335 1.00 0.00 H new ATOM 160 P DT A 6 9.091 3.162 -9.369 1.00 0.00 P ATOM 161 OP1 DT A 6 10.558 3.205 -9.551 1.00 0.00 O ATOM 162 OP2 DT A 6 8.286 2.114 -10.033 1.00 0.00 O ATOM 163 O5' DT A 6 8.783 3.096 -7.787 1.00 0.00 O ATOM 164 C5' DT A 6 8.476 1.863 -7.162 1.00 0.00 C ATOM 165 C4' DT A 6 8.064 2.030 -5.689 1.00 0.00 C ATOM 166 O4' DT A 6 6.971 2.940 -5.583 1.00 0.00 O ATOM 167 C3' DT A 6 7.584 0.669 -5.159 1.00 0.00 C ATOM 168 O3' DT A 6 8.022 0.298 -3.852 1.00 0.00 O ATOM 169 C2' DT A 6 6.075 0.769 -5.372 1.00 0.00 C ATOM 170 C1' DT A 6 5.789 2.258 -5.204 1.00 0.00 C ATOM 171 N1 DT A 6 4.656 2.706 -6.063 1.00 0.00 N ATOM 172 C2 DT A 6 3.383 2.830 -5.492 1.00 0.00 C ATOM 173 O2 DT A 6 3.129 2.553 -4.318 1.00 0.00 O ATOM 174 N3 DT A 6 2.384 3.325 -6.312 1.00 0.00 N ATOM 175 C4 DT A 6 2.545 3.757 -7.615 1.00 0.00 C ATOM 176 O4 DT A 6 1.602 4.295 -8.193 1.00 0.00 O ATOM 177 C5 DT A 6 3.882 3.546 -8.163 1.00 0.00 C ATOM 178 C7 DT A 6 4.187 3.890 -9.610 1.00 0.00 C ATOM 179 C6 DT A 6 4.872 3.031 -7.390 1.00 0.00 C ATOM 0 H5' DT A 6 9.343 1.205 -7.220 1.00 0.00 H new ATOM 0 H5'' DT A 6 7.669 1.375 -7.708 1.00 0.00 H new ATOM 0 H4' DT A 6 8.917 2.404 -5.123 1.00 0.00 H new ATOM 0 H3' DT A 6 8.034 -0.173 -5.685 1.00 0.00 H new ATOM 0 H2' DT A 6 5.785 0.414 -6.361 1.00 0.00 H new ATOM 0 H2'' DT A 6 5.527 0.170 -4.645 1.00 0.00 H new ATOM 0 H1' DT A 6 5.506 2.468 -4.173 1.00 0.00 H new ATOM 0 H3 DT A 6 1.444 3.376 -5.919 1.00 0.00 H new ATOM 0 H71 DT A 6 5.234 4.180 -9.702 1.00 0.00 H new ATOM 0 H72 DT A 6 3.994 3.021 -10.239 1.00 0.00 H new ATOM 0 H73 DT A 6 3.552 4.717 -9.929 1.00 0.00 H new ATOM 0 H6 DT A 6 5.850 2.872 -7.821 1.00 0.00 H new ATOM 192 P DC A 7 7.879 1.179 -2.496 1.00 0.00 P ATOM 193 OP1 DC A 7 8.157 2.602 -2.772 1.00 0.00 O ATOM 194 OP2 DC A 7 8.689 0.499 -1.466 1.00 0.00 O ATOM 195 O5' DC A 7 6.336 1.035 -2.064 1.00 0.00 O ATOM 196 C5' DC A 7 5.693 -0.223 -1.905 1.00 0.00 C ATOM 197 C4' DC A 7 6.094 -1.029 -0.649 1.00 0.00 C ATOM 198 O4' DC A 7 4.928 -1.120 0.158 1.00 0.00 O ATOM 199 C3' DC A 7 6.526 -2.475 -0.989 1.00 0.00 C ATOM 200 O3' DC A 7 7.647 -3.053 -0.308 1.00 0.00 O ATOM 201 C2' DC A 7 5.247 -3.280 -0.804 1.00 0.00 C ATOM 202 C1' DC A 7 4.285 -2.365 -0.035 1.00 0.00 C ATOM 203 N1 DC A 7 2.921 -2.210 -0.640 1.00 0.00 N ATOM 204 C2 DC A 7 1.818 -2.270 0.225 1.00 0.00 C ATOM 205 O2 DC A 7 1.951 -2.311 1.454 1.00 0.00 O ATOM 206 N3 DC A 7 0.572 -2.365 -0.290 1.00 0.00 N ATOM 207 C4 DC A 7 0.378 -2.374 -1.588 1.00 0.00 C ATOM 208 N4 DC A 7 -0.858 -2.595 -1.973 1.00 0.00 N ATOM 209 C5 DC A 7 1.452 -2.263 -2.516 1.00 0.00 C ATOM 210 C6 DC A 7 2.709 -2.170 -2.005 1.00 0.00 C ATOM 0 H5' DC A 7 5.902 -0.831 -2.786 1.00 0.00 H new ATOM 0 H5'' DC A 7 4.616 -0.059 -1.880 1.00 0.00 H new ATOM 0 H4' DC A 7 6.932 -0.530 -0.163 1.00 0.00 H new ATOM 0 H3' DC A 7 6.942 -2.478 -1.996 1.00 0.00 H new ATOM 0 H2' DC A 7 4.825 -3.571 -1.766 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.440 -4.199 -0.250 1.00 0.00 H new ATOM 0 H1' DC A 7 4.071 -2.846 0.919 1.00 0.00 H new ATOM 0 H41 DC A 7 -1.086 -2.617 -2.967 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.589 -2.745 -1.278 1.00 0.00 H new ATOM 0 H5 DC A 7 1.276 -2.253 -3.581 1.00 0.00 H new ATOM 0 H6 DC A 7 3.551 -2.064 -2.673 1.00 0.00 H new ATOM 222 P DG A 8 7.828 -3.201 1.286 1.00 0.00 P ATOM 223 OP1 DG A 8 7.386 -1.969 1.953 1.00 0.00 O ATOM 224 OP2 DG A 8 9.193 -3.716 1.546 1.00 0.00 O ATOM 225 O5' DG A 8 6.885 -4.408 1.777 1.00 0.00 O ATOM 226 C5' DG A 8 5.974 -4.269 2.858 1.00 0.00 C ATOM 227 C4' DG A 8 5.044 -5.479 2.932 1.00 0.00 C ATOM 228 O4' DG A 8 4.196 -5.434 1.782 1.00 0.00 O ATOM 229 C3' DG A 8 5.796 -6.811 2.985 1.00 0.00 C ATOM 230 O3' DG A 8 5.537 -7.555 4.173 1.00 0.00 O ATOM 231 C2' DG A 8 5.278 -7.538 1.737 1.00 0.00 C ATOM 232 C1' DG A 8 4.086 -6.715 1.183 1.00 0.00 C ATOM 233 N9 DG A 8 4.017 -6.575 -0.311 1.00 0.00 N ATOM 234 C8 DG A 8 5.027 -6.644 -1.242 1.00 0.00 C ATOM 235 N7 DG A 8 4.648 -6.408 -2.465 1.00 0.00 N ATOM 236 C5 DG A 8 3.280 -6.173 -2.364 1.00 0.00 C ATOM 237 C6 DG A 8 2.303 -5.817 -3.356 1.00 0.00 C ATOM 238 O6 DG A 8 2.440 -5.626 -4.559 1.00 0.00 O ATOM 239 N1 DG A 8 1.033 -5.628 -2.844 1.00 0.00 N ATOM 240 C2 DG A 8 0.721 -5.810 -1.531 1.00 0.00 C ATOM 241 N2 DG A 8 -0.515 -5.568 -1.158 1.00 0.00 N ATOM 242 N3 DG A 8 1.604 -6.141 -0.586 1.00 0.00 N ATOM 243 C4 DG A 8 2.879 -6.296 -1.053 1.00 0.00 C ATOM 0 H5' DG A 8 5.387 -3.359 2.732 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.524 -4.167 3.794 1.00 0.00 H new ATOM 0 H4' DG A 8 4.471 -5.426 3.858 1.00 0.00 H new ATOM 0 H3' DG A 8 6.878 -6.677 3.001 1.00 0.00 H new ATOM 0 H2' DG A 8 6.066 -7.625 0.988 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.962 -8.551 1.986 1.00 0.00 H new ATOM 0 H1' DG A 8 3.168 -7.249 1.430 1.00 0.00 H new ATOM 0 H8 DG A 8 6.049 -6.875 -0.980 1.00 0.00 H new ATOM 0 H1 DG A 8 0.292 -5.338 -3.482 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.787 -5.693 -0.183 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.203 -5.255 -1.843 1.00 0.00 H new ATOM 255 P DT A 9 6.662 -7.750 5.348 1.00 0.00 P ATOM 256 OP1 DT A 9 6.644 -6.563 6.239 1.00 0.00 O ATOM 257 OP2 DT A 9 7.954 -8.041 4.681 1.00 0.00 O ATOM 258 O5' DT A 9 6.242 -9.041 6.287 1.00 0.00 O ATOM 259 C5' DT A 9 5.124 -9.028 7.200 1.00 0.00 C ATOM 260 C4' DT A 9 3.867 -8.537 6.480 1.00 0.00 C ATOM 261 O4' DT A 9 3.702 -9.434 5.431 1.00 0.00 O ATOM 262 C3' DT A 9 2.441 -8.523 7.007 1.00 0.00 C ATOM 263 O3' DT A 9 2.106 -7.390 7.791 1.00 0.00 O ATOM 264 C2' DT A 9 1.695 -8.399 5.664 1.00 0.00 C ATOM 265 C1' DT A 9 2.703 -8.914 4.622 1.00 0.00 C ATOM 266 N1 DT A 9 2.264 -9.847 3.544 1.00 0.00 N ATOM 267 C2 DT A 9 3.097 -10.914 3.127 1.00 0.00 C ATOM 268 O2 DT A 9 4.119 -11.318 3.664 1.00 0.00 O ATOM 269 N3 DT A 9 2.747 -11.571 1.975 1.00 0.00 N ATOM 270 C4 DT A 9 1.693 -11.270 1.154 1.00 0.00 C ATOM 271 O4 DT A 9 1.538 -11.939 0.138 1.00 0.00 O ATOM 272 C5 DT A 9 0.886 -10.145 1.613 1.00 0.00 C ATOM 273 C7 DT A 9 -0.268 -9.648 0.769 1.00 0.00 C ATOM 274 C6 DT A 9 1.190 -9.481 2.761 1.00 0.00 C ATOM 0 H5' DT A 9 5.344 -8.380 8.048 1.00 0.00 H new ATOM 0 H5'' DT A 9 4.957 -10.029 7.598 1.00 0.00 H new ATOM 0 H4' DT A 9 4.126 -7.481 6.411 1.00 0.00 H new ATOM 0 H3' DT A 9 2.229 -9.372 7.656 1.00 0.00 H new ATOM 0 H2' DT A 9 0.781 -8.992 5.660 1.00 0.00 H new ATOM 0 H2'' DT A 9 1.406 -7.367 5.463 1.00 0.00 H new ATOM 0 H1' DT A 9 2.985 -8.095 3.960 1.00 0.00 H new ATOM 0 H3 DT A 9 3.330 -12.363 1.703 1.00 0.00 H new ATOM 0 H71 DT A 9 -1.039 -9.230 1.417 1.00 0.00 H new ATOM 0 H72 DT A 9 0.087 -8.878 0.084 1.00 0.00 H new ATOM 0 H73 DT A 9 -0.685 -10.478 0.198 1.00 0.00 H new ATOM 0 H6 DT A 9 0.575 -8.647 3.066 1.00 0.00 H new ATOM 287 P DT A 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ATOM 402 N3 DG B 3 0.131 4.843 -1.102 1.00 0.00 N ATOM 403 C4 DG B 3 -1.050 4.809 -1.775 1.00 0.00 C ATOM 0 H5' DG B 3 -4.103 3.085 2.546 1.00 0.00 H new ATOM 0 H5'' DG B 3 -5.474 4.099 2.952 1.00 0.00 H new ATOM 0 H4' DG B 3 -3.785 5.587 2.625 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.445 5.502 0.038 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.945 7.045 -0.941 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.402 7.657 0.609 1.00 0.00 H new ATOM 0 H1' DG B 3 -1.604 6.254 0.356 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.228 5.062 -2.192 1.00 0.00 H new ATOM 0 H1 DG B 3 1.958 3.854 -3.625 1.00 0.00 H new ATOM 0 H21 DG B 3 2.400 4.540 -0.220 1.00 0.00 H new ATOM 0 H22 DG B 3 3.115 3.894 -1.700 1.00 0.00 H new ATOM 415 P DT B 4 -6.739 7.775 0.858 1.00 0.00 P ATOM 416 OP1 DT B 4 -8.015 7.515 1.563 1.00 0.00 O ATOM 417 OP2 DT B 4 -6.695 7.569 -0.615 1.00 0.00 O ATOM 418 O5' DT B 4 -6.153 9.251 1.237 1.00 0.00 O ATOM 419 C5' DT B 4 -5.889 9.750 2.563 1.00 0.00 C ATOM 420 C4' DT B 4 -4.877 8.940 3.397 1.00 0.00 C ATOM 421 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5.446 1.00 0.00 H new ATOM 0 H1' DT B 4 -2.199 7.542 3.372 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.541 12.207 1.545 1.00 0.00 H new ATOM 0 H71 DT B 4 3.070 9.337 2.416 1.00 0.00 H new ATOM 0 H72 DT B 4 2.695 9.292 4.155 1.00 0.00 H new ATOM 0 H73 DT B 4 2.286 7.903 3.120 1.00 0.00 H new ATOM 0 H6 DT B 4 -0.010 7.898 3.636 1.00 0.00 H new ATOM 447 P DT B 5 -5.979 8.358 6.516 1.00 0.00 P ATOM 448 OP1 DT B 5 -6.899 8.785 7.593 1.00 0.00 O ATOM 449 OP2 DT B 5 -5.047 7.286 6.923 1.00 0.00 O ATOM 450 O5' DT B 5 -6.855 7.774 5.312 1.00 0.00 O ATOM 451 C5' DT B 5 -8.100 8.338 4.961 1.00 0.00 C ATOM 452 C4' DT B 5 -9.188 7.637 5.761 1.00 0.00 C ATOM 453 O4' DT B 5 -10.203 8.536 6.131 1.00 0.00 O ATOM 454 C3' DT B 5 -9.817 6.498 4.959 1.00 0.00 C ATOM 455 O3' DT B 5 -9.883 5.376 5.792 1.00 0.00 O ATOM 456 C2' DT B 5 -11.194 7.039 4.624 1.00 0.00 C ATOM 457 C1' DT B 5 -11.438 7.956 5.826 1.00 0.00 C ATOM 458 N1 DT B 5 -12.397 9.070 5.620 1.00 0.00 N ATOM 459 C2 DT B 5 -13.262 9.382 6.674 1.00 0.00 C ATOM 460 O2 DT B 5 -13.231 8.841 7.774 1.00 0.00 O ATOM 461 N3 DT B 5 -14.160 10.402 6.458 1.00 0.00 N ATOM 462 C4 DT B 5 -14.196 11.226 5.351 1.00 0.00 C ATOM 463 O4 DT B 5 -15.027 12.129 5.325 1.00 0.00 O ATOM 464 C5 DT B 5 -13.182 10.927 4.341 1.00 0.00 C ATOM 465 C7 DT B 5 -13.032 11.796 3.105 1.00 0.00 C ATOM 466 C6 DT B 5 -12.331 9.881 4.505 1.00 0.00 C ATOM 0 H5' DT B 5 -8.281 8.222 3.892 1.00 0.00 H new ATOM 0 H5'' DT B 5 -8.104 9.408 5.171 1.00 0.00 H new ATOM 0 H4' DT B 5 -8.713 7.234 6.655 1.00 0.00 H new ATOM 0 H3' DT B 5 -9.275 6.199 4.062 1.00 0.00 H new ATOM 0 H2' DT B 5 -11.207 7.583 3.679 1.00 0.00 H new ATOM 0 H2'' DT B 5 -11.942 6.249 4.547 1.00 0.00 H new ATOM 0 H1' DT B 5 -11.876 7.331 6.604 1.00 0.00 H new ATOM 0 H3 DT B 5 -14.862 10.564 7.180 1.00 0.00 H new ATOM 0 H71 DT B 5 -11.993 11.784 2.776 1.00 0.00 H new ATOM 0 H72 DT B 5 -13.669 11.410 2.309 1.00 0.00 H new ATOM 0 H73 DT B 5 -13.326 12.819 3.341 1.00 0.00 H new ATOM 0 H6 DT B 5 -11.588 9.680 3.748 1.00 0.00 H new ATOM 479 P DT B 6 -10.045 3.908 5.169 1.00 0.00 P ATOM 480 OP1 DT B 6 -10.704 4.049 3.846 1.00 0.00 O ATOM 481 OP2 DT B 6 -10.573 3.013 6.215 1.00 0.00 O ATOM 482 O5' DT B 6 -8.537 3.496 4.795 1.00 0.00 O ATOM 483 C5' DT B 6 -7.536 3.290 5.771 1.00 0.00 C ATOM 484 C4' DT B 6 -6.450 2.368 5.193 1.00 0.00 C ATOM 485 O4' DT B 6 -5.161 2.951 5.301 1.00 0.00 O ATOM 486 C3' DT B 6 -6.322 1.009 5.887 1.00 0.00 C ATOM 487 O3' DT B 6 -7.366 0.138 5.476 1.00 0.00 O ATOM 488 C2' DT B 6 -4.934 0.592 5.402 1.00 0.00 C ATOM 489 C1' DT B 6 -4.192 1.920 5.169 1.00 0.00 C ATOM 490 N1 DT B 6 -3.083 2.197 6.131 1.00 0.00 N ATOM 491 C2 DT B 6 -1.869 2.701 5.631 1.00 0.00 C ATOM 492 O2 DT B 6 -1.639 2.893 4.437 1.00 0.00 O ATOM 493 N3 DT B 6 -0.887 2.992 6.560 1.00 0.00 N ATOM 494 C4 DT B 6 -0.999 2.845 7.925 1.00 0.00 C ATOM 495 O4 DT B 6 -0.048 3.157 8.631 1.00 0.00 O ATOM 496 C5 DT B 6 -2.289 2.338 8.382 1.00 0.00 C ATOM 497 C7 DT B 6 -2.570 2.200 9.868 1.00 0.00 C ATOM 498 C6 DT B 6 -3.270 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-2.613 1.811 1.00 0.00 O ATOM 518 C3' DC B 7 -7.133 -4.361 2.678 1.00 0.00 C ATOM 519 O3' DC B 7 -8.187 -5.153 2.122 1.00 0.00 O ATOM 520 C2' DC B 7 -5.711 -4.892 2.500 1.00 0.00 C ATOM 521 C1' DC B 7 -4.961 -3.788 1.738 1.00 0.00 C ATOM 522 N1 DC B 7 -3.618 -3.438 2.282 1.00 0.00 N ATOM 523 C2 DC B 7 -2.553 -3.275 1.385 1.00 0.00 C ATOM 524 O2 DC B 7 -2.671 -3.478 0.171 1.00 0.00 O ATOM 525 N3 DC B 7 -1.350 -2.899 1.869 1.00 0.00 N ATOM 526 C4 DC B 7 -1.174 -2.671 3.150 1.00 0.00 C ATOM 527 N4 DC B 7 0.052 -2.351 3.491 1.00 0.00 N ATOM 528 C5 DC B 7 -2.216 -2.832 4.111 1.00 0.00 C ATOM 529 C6 DC B 7 -3.435 -3.195 3.628 1.00 0.00 C ATOM 0 H5' DC B 7 -7.369 -0.896 2.888 1.00 0.00 H new ATOM 0 H5'' DC B 7 -8.614 -2.021 3.393 1.00 0.00 H new ATOM 0 H4' DC B 7 -7.734 -2.822 1.327 1.00 0.00 H new ATOM 0 H3' DC B 7 -7.434 -4.417 3.724 1.00 0.00 H new ATOM 0 H2' DC B 7 -5.242 -5.094 3.463 1.00 0.00 H new ATOM 0 H2'' DC B 7 -5.707 -5.828 1.942 1.00 0.00 H new ATOM 0 H1' DC B 7 -4.810 -4.175 0.730 1.00 0.00 H new ATOM 0 H41 DC B 7 0.276 -2.158 4.467 1.00 0.00 H new ATOM 0 H42 DC B 7 0.781 -2.296 2.780 1.00 0.00 H new ATOM 0 H5 DC B 7 -2.046 -2.674 5.166 1.00 0.00 H new ATOM 0 H6 DC B 7 -4.270 -3.294 4.306 1.00 0.00 H new ATOM 541 P DG B 8 -8.418 -5.530 0.562 1.00 0.00 P ATOM 542 OP1 DG B 8 -8.486 -4.306 -0.275 1.00 0.00 O ATOM 543 OP2 DG B 8 -9.548 -6.467 0.461 1.00 0.00 O ATOM 544 O5' DG B 8 -7.116 -6.351 0.107 1.00 0.00 O ATOM 545 C5' DG B 8 -6.298 -5.954 -0.982 1.00 0.00 C ATOM 546 C4' DG B 8 -5.031 -6.803 -1.109 1.00 0.00 C ATOM 547 O4' DG B 8 -4.123 -6.339 -0.129 1.00 0.00 O ATOM 548 C3' DG B 8 -5.247 -8.315 -0.911 1.00 0.00 C ATOM 549 O3' DG B 8 -5.381 -9.120 -2.093 1.00 0.00 O ATOM 550 C2' DG B 8 -3.965 -8.696 -0.155 1.00 0.00 C ATOM 551 C1' DG B 8 -3.275 -7.385 0.272 1.00 0.00 C ATOM 552 N9 DG B 8 -3.023 -7.239 1.730 1.00 0.00 N ATOM 553 C8 DG B 8 -3.812 -7.627 2.788 1.00 0.00 C ATOM 554 N7 DG B 8 -3.323 -7.336 3.961 1.00 0.00 N ATOM 555 C5 DG B 8 -2.105 -6.720 3.673 1.00 0.00 C ATOM 556 C6 DG B 8 -1.076 -6.209 4.537 1.00 0.00 C ATOM 557 O6 DG B 8 -1.022 -6.197 5.761 1.00 0.00 O ATOM 558 N1 DG B 8 0.006 -5.683 3.858 1.00 0.00 N ATOM 559 C2 DG B 8 0.104 -5.662 2.505 1.00 0.00 C ATOM 560 N2 DG B 8 1.226 -5.198 2.024 1.00 0.00 N ATOM 561 N3 DG B 8 -0.809 -6.168 1.670 1.00 0.00 N ATOM 562 C4 DG B 8 -1.908 -6.667 2.311 1.00 0.00 C ATOM 0 H5' DG B 8 -6.018 -4.908 -0.859 1.00 0.00 H new ATOM 0 H5'' DG B 8 -6.871 -6.024 -1.906 1.00 0.00 H new ATOM 0 H4' DG B 8 -4.663 -6.691 -2.129 1.00 0.00 H new ATOM 0 H3' DG B 8 -6.199 -8.502 -0.415 1.00 0.00 H new ATOM 0 H2' DG B 8 -4.200 -9.307 0.716 1.00 0.00 H new ATOM 0 H2'' DG B 8 -3.306 -9.287 -0.791 1.00 0.00 H new ATOM 0 H1' DG B 8 -2.290 -7.376 -0.195 1.00 0.00 H new ATOM 0 H8 DG B 8 -4.758 -8.131 2.658 1.00 0.00 H new ATOM 0 H1 DG B 8 0.773 -5.289 4.403 1.00 0.00 H new ATOM 0 H21 DG B 8 1.369 -5.153 1.015 1.00 0.00 H new ATOM 0 H22 DG B 8 1.960 -4.880 2.657 1.00 0.00 H new ATOM 574 P DT B 9 -6.479 -8.846 -3.265 1.00 0.00 P ATOM 575 OP1 DT B 9 -7.640 -8.080 -2.761 1.00 0.00 O ATOM 576 OP2 DT B 9 -6.714 -10.035 -4.124 1.00 0.00 O ATOM 577 O5' DT B 9 -5.615 -7.867 -4.173 1.00 0.00 O ATOM 578 C5' DT B 9 -6.069 -6.576 -4.531 1.00 0.00 C ATOM 579 C4' DT B 9 -5.312 -6.095 -5.759 1.00 0.00 C ATOM 580 O4' DT B 9 -3.951 -5.881 -5.426 1.00 0.00 O ATOM 581 C3' DT B 9 -5.376 -7.157 -6.858 1.00 0.00 C ATOM 582 O3' DT B 9 -5.763 -6.587 -8.082 1.00 0.00 O ATOM 583 C2' DT B 9 -3.963 -7.703 -6.924 1.00 0.00 C ATOM 584 C1' DT B 9 -3.141 -6.536 -6.386 1.00 0.00 C ATOM 585 N1 DT B 9 -1.893 -7.031 -5.753 1.00 0.00 N ATOM 586 C2 DT B 9 -0.702 -6.930 -6.477 1.00 0.00 C ATOM 587 O2 DT B 9 -0.599 -6.304 -7.527 1.00 0.00 O ATOM 588 N3 DT B 9 0.399 -7.573 -5.954 1.00 0.00 N ATOM 589 C4 DT B 9 0.428 -8.294 -4.780 1.00 0.00 C ATOM 590 O4 DT B 9 1.476 -8.834 -4.446 1.00 0.00 O ATOM 591 C5 DT B 9 -0.833 -8.306 -4.043 1.00 0.00 C ATOM 592 C7 DT B 9 -0.914 -8.980 -2.690 1.00 0.00 C ATOM 593 C6 DT B 9 -1.935 -7.683 -4.537 1.00 0.00 C ATOM 0 H5' DT B 9 -5.918 -5.883 -3.703 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.139 -6.599 -4.736 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.766 -5.168 -6.109 1.00 0.00 H new ATOM 0 H3' DT B 9 -6.110 -7.935 -6.651 1.00 0.00 H new ATOM 0 H2' DT B 9 -3.844 -8.599 -6.315 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.676 -7.968 -7.942 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.853 -5.857 -7.188 1.00 0.00 H new ATOM 0 H3 DT B 9 1.269 -7.510 -6.482 1.00 0.00 H new ATOM 0 H71 DT B 9 -1.664 -8.479 -2.078 1.00 0.00 H new ATOM 0 H72 DT B 9 -1.191 -10.026 -2.821 1.00 0.00 H new ATOM 0 H73 DT B 9 0.056 -8.921 -2.195 1.00 0.00 H new ATOM 0 H6 DT B 9 -2.855 -7.698 -3.971 1.00 0.00 H new ATOM 606 P DT B 10 -7.097 -7.108 -8.799 1.00 0.00 P ATOM 607 OP1 DT B 10 -8.233 -6.695 -7.945 1.00 0.00 O ATOM 608 OP2 DT B 10 -6.903 -8.553 -9.060 1.00 0.00 O ATOM 609 O5' DT B 10 -7.075 -6.249 -10.171 1.00 0.00 O ATOM 610 C5' DT B 10 -7.506 -4.893 -10.217 1.00 0.00 C ATOM 611 C4' DT B 10 -7.108 -4.221 -11.542 1.00 0.00 C ATOM 612 O4' DT B 10 -7.844 -4.821 -12.595 1.00 0.00 O ATOM 613 C3' DT B 10 -7.423 -2.714 -11.629 1.00 0.00 C ATOM 614 O3' DT B 10 -6.295 -1.840 -11.597 1.00 0.00 O ATOM 615 C2' DT B 10 -8.076 -2.573 -13.000 1.00 0.00 C ATOM 616 C1' DT B 10 -7.854 -3.928 -13.679 1.00 0.00 C ATOM 617 N1 DT B 10 -8.844 -4.373 -14.712 1.00 0.00 N ATOM 618 C2 DT B 10 -8.497 -5.503 -15.470 1.00 0.00 C ATOM 619 O2 DT B 10 -7.406 -6.063 -15.417 1.00 0.00 O ATOM 620 N3 DT B 10 -9.441 -5.976 -16.356 1.00 0.00 N ATOM 621 C4 DT B 10 -10.665 -5.403 -16.616 1.00 0.00 C ATOM 622 O4 DT B 10 -11.395 -5.935 -17.442 1.00 0.00 O ATOM 623 C5 DT B 10 -10.940 -4.188 -15.858 1.00 0.00 C ATOM 624 C7 DT B 10 -12.248 -3.435 -16.037 1.00 0.00 C ATOM 625 C6 DT B 10 -10.045 -3.722 -14.949 1.00 0.00 C ATOM 0 H5' DT B 10 -7.070 -4.343 -9.383 1.00 0.00 H new ATOM 0 H5'' DT B 10 -8.588 -4.850 -10.096 1.00 0.00 H new ATOM 0 H4' DT B 10 -6.028 -4.350 -11.611 1.00 0.00 H new ATOM 0 H3' DT B 10 -8.020 -2.427 -10.764 1.00 0.00 H new ATOM 0 H2' DT B 10 -9.138 -2.344 -12.911 1.00 0.00 H new ATOM 0 H2'' DT B 10 -7.623 -1.764 -13.573 1.00 0.00 H new ATOM 0 H1' DT B 10 -6.945 -3.873 -14.278 1.00 0.00 H new ATOM 0 H3 DT B 10 -9.211 -6.829 -16.866 1.00 0.00 H new ATOM 0 H71 DT B 10 -12.511 -2.936 -15.104 1.00 0.00 H new ATOM 0 H72 DT B 10 -12.135 -2.692 -16.827 1.00 0.00 H new ATOM 0 H73 DT B 10 -13.037 -4.136 -16.308 1.00 0.00 H new ATOM 0 H6 DT B 10 -10.274 -2.822 -14.397 1.00 0.00 H new TER 638 DT B 10