USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 212 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: C 15 DT C7 :methyl 150:sc= -0.702 (180deg=-0.702) USER MOD Set 1.2: C 16 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= -0.529 (180deg=-0.529) USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.647 (180deg=-0.647) USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.00408 (180deg=-0.00408) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot 180:sc= 0 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -2.777 -9.277 -11.022 1.00 0.00 O ATOM 2 C5' DA A 1 -2.624 -9.473 -9.633 1.00 0.00 C ATOM 3 C4' DA A 1 -1.349 -8.780 -9.145 1.00 0.00 C ATOM 4 O4' DA A 1 -1.444 -7.378 -9.307 1.00 0.00 O ATOM 5 C3' DA A 1 -1.082 -9.032 -7.655 1.00 0.00 C ATOM 6 O3' DA A 1 -0.012 -9.949 -7.495 1.00 0.00 O ATOM 7 C2' DA A 1 -0.792 -7.630 -7.112 1.00 0.00 C ATOM 8 C1' DA A 1 -0.571 -6.791 -8.364 1.00 0.00 C ATOM 9 N9 DA A 1 -0.925 -5.363 -8.175 1.00 0.00 N ATOM 10 C8 DA A 1 -2.141 -4.830 -7.821 1.00 0.00 C ATOM 11 N7 DA A 1 -2.152 -3.529 -7.733 1.00 0.00 N ATOM 12 C5 DA A 1 -0.852 -3.164 -8.052 1.00 0.00 C ATOM 13 C6 DA A 1 -0.204 -1.913 -8.151 1.00 0.00 C ATOM 14 N6 DA A 1 -0.814 -0.741 -7.933 1.00 0.00 N ATOM 15 N1 DA A 1 1.099 -1.898 -8.489 1.00 0.00 N ATOM 16 C2 DA A 1 1.725 -3.047 -8.716 1.00 0.00 C ATOM 17 N3 DA A 1 1.232 -4.286 -8.661 1.00 0.00 N ATOM 18 C4 DA A 1 -0.089 -4.277 -8.319 1.00 0.00 C ATOM 0 H5' DA A 1 -2.576 -10.539 -9.411 1.00 0.00 H new ATOM 0 H5'' DA A 1 -3.490 -9.075 -9.103 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.540 -9.197 -9.744 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.907 -9.496 -7.115 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.624 -7.251 -6.519 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.087 -7.625 -6.467 1.00 0.00 H new ATOM 0 HO5' DA A 1 -3.594 -9.724 -11.327 1.00 0.00 H new ATOM 0 H1' DA A 1 0.478 -6.787 -8.659 1.00 0.00 H new ATOM 0 H8 DA A 1 -3.014 -5.437 -7.632 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.291 0.130 -8.020 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.802 -0.720 -7.680 1.00 0.00 H new ATOM 0 H2 DA A 1 2.769 -2.969 -8.980 1.00 0.00 H new ATOM 31 P DG A 2 0.553 -10.390 -6.042 1.00 0.00 P ATOM 32 OP1 DG A 2 1.166 -11.730 -6.171 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.502 -10.156 -5.030 1.00 0.00 O ATOM 34 O5' DG A 2 1.733 -9.317 -5.796 1.00 0.00 O ATOM 35 C5' DG A 2 2.864 -9.272 -6.644 1.00 0.00 C ATOM 36 C4' DG A 2 3.734 -8.061 -6.306 1.00 0.00 C ATOM 37 O4' DG A 2 3.021 -6.859 -6.522 1.00 0.00 O ATOM 38 C3' DG A 2 4.224 -8.051 -4.850 1.00 0.00 C ATOM 39 O3' DG A 2 5.640 -8.004 -4.913 1.00 0.00 O ATOM 40 C2' DG A 2 3.564 -6.788 -4.266 1.00 0.00 C ATOM 41 C1' DG A 2 3.400 -5.946 -5.513 1.00 0.00 C ATOM 42 N9 DG A 2 2.328 -4.953 -5.329 1.00 0.00 N ATOM 43 C8 DG A 2 1.020 -5.188 -5.014 1.00 0.00 C ATOM 44 N7 DG A 2 0.289 -4.115 -4.916 1.00 0.00 N ATOM 45 C5 DG A 2 1.187 -3.088 -5.180 1.00 0.00 C ATOM 46 C6 DG A 2 0.982 -1.677 -5.215 1.00 0.00 C ATOM 47 O6 DG A 2 -0.064 -1.066 -5.022 1.00 0.00 O ATOM 48 N1 DG A 2 2.153 -0.980 -5.514 1.00 0.00 N ATOM 49 C2 DG A 2 3.382 -1.577 -5.750 1.00 0.00 C ATOM 50 N2 DG A 2 4.418 -0.773 -6.016 1.00 0.00 N ATOM 51 N3 DG A 2 3.574 -2.904 -5.718 1.00 0.00 N ATOM 52 C4 DG A 2 2.441 -3.595 -5.431 1.00 0.00 C ATOM 0 H5' DG A 2 2.545 -9.219 -7.685 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.445 -10.188 -6.535 1.00 0.00 H new ATOM 0 H4' DG A 2 4.599 -8.135 -6.965 1.00 0.00 H new ATOM 0 H3' DG A 2 3.970 -8.910 -4.228 1.00 0.00 H new ATOM 0 H2' DG A 2 2.610 -7.005 -3.787 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.192 -6.302 -3.520 1.00 0.00 H new ATOM 0 H1' DG A 2 4.313 -5.402 -5.754 1.00 0.00 H new ATOM 0 H8 DG A 2 0.625 -6.181 -4.859 1.00 0.00 H new ATOM 0 H1 DG A 2 2.102 0.038 -5.562 1.00 0.00 H new ATOM 0 H21 DG A 2 5.340 -1.171 -6.196 1.00 0.00 H new ATOM 0 H22 DG A 2 4.286 0.238 -6.039 1.00 0.00 H new ATOM 64 P DA A 3 6.574 -7.951 -3.605 1.00 0.00 P ATOM 65 OP1 DA A 3 7.888 -8.545 -3.937 1.00 0.00 O ATOM 66 OP2 DA A 3 5.802 -8.455 -2.446 1.00 0.00 O ATOM 67 O5' DA A 3 6.759 -6.362 -3.467 1.00 0.00 O ATOM 68 C5' DA A 3 7.081 -5.764 -2.235 1.00 0.00 C ATOM 69 C4' DA A 3 6.978 -4.250 -2.394 1.00 0.00 C ATOM 70 O4' DA A 3 5.704 -3.890 -2.895 1.00 0.00 O ATOM 71 C3' DA A 3 7.170 -3.556 -1.046 1.00 0.00 C ATOM 72 O3' DA A 3 8.410 -2.867 -1.051 1.00 0.00 O ATOM 73 C2' DA A 3 5.952 -2.643 -1.000 1.00 0.00 C ATOM 74 C1' DA A 3 5.454 -2.587 -2.431 1.00 0.00 C ATOM 75 N9 DA A 3 4.017 -2.301 -2.319 1.00 0.00 N ATOM 76 C8 DA A 3 3.014 -3.191 -2.047 1.00 0.00 C ATOM 77 N7 DA A 3 1.833 -2.643 -2.001 1.00 0.00 N ATOM 78 C5 DA A 3 2.070 -1.296 -2.252 1.00 0.00 C ATOM 79 C6 DA A 3 1.232 -0.161 -2.332 1.00 0.00 C ATOM 80 N6 DA A 3 -0.094 -0.211 -2.155 1.00 0.00 N ATOM 81 N1 DA A 3 1.797 1.032 -2.596 1.00 0.00 N ATOM 82 C2 DA A 3 3.114 1.101 -2.771 1.00 0.00 C ATOM 83 N3 DA A 3 4.008 0.116 -2.720 1.00 0.00 N ATOM 84 C4 DA A 3 3.410 -1.077 -2.451 1.00 0.00 C ATOM 0 H5' DA A 3 8.088 -6.046 -1.928 1.00 0.00 H new ATOM 0 H5'' DA A 3 6.402 -6.111 -1.456 1.00 0.00 H new ATOM 0 H4' DA A 3 7.756 -3.937 -3.090 1.00 0.00 H new ATOM 0 H3' DA A 3 7.223 -4.202 -0.170 1.00 0.00 H new ATOM 0 H2' DA A 3 5.187 -3.037 -0.331 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.215 -1.651 -0.634 1.00 0.00 H new ATOM 0 H1' DA A 3 5.907 -1.849 -3.093 1.00 0.00 H new ATOM 0 H8 DA A 3 3.185 -4.245 -1.886 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.650 0.641 -2.224 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.548 -1.101 -1.951 1.00 0.00 H new ATOM 0 H2 DA A 3 3.509 2.084 -2.982 1.00 0.00 H new ATOM 96 P DA A 4 9.012 -2.159 0.271 1.00 0.00 P ATOM 97 OP1 DA A 4 10.419 -1.789 -0.005 1.00 0.00 O ATOM 98 OP2 DA A 4 8.693 -2.999 1.447 1.00 0.00 O ATOM 99 O5' DA A 4 8.148 -0.806 0.372 1.00 0.00 O ATOM 100 C5' DA A 4 8.259 0.224 -0.591 1.00 0.00 C ATOM 101 C4' DA A 4 7.255 1.338 -0.283 1.00 0.00 C ATOM 102 O4' DA A 4 5.917 0.966 -0.563 1.00 0.00 O ATOM 103 C3' DA A 4 7.308 1.793 1.184 1.00 0.00 C ATOM 104 O3' DA A 4 7.857 3.097 1.293 1.00 0.00 O ATOM 105 C2' DA A 4 5.838 1.720 1.575 1.00 0.00 C ATOM 106 C1' DA A 4 5.101 1.776 0.258 1.00 0.00 C ATOM 107 N9 DA A 4 3.763 1.199 0.480 1.00 0.00 N ATOM 108 C8 DA A 4 3.441 -0.102 0.739 1.00 0.00 C ATOM 109 N7 DA A 4 2.166 -0.318 0.893 1.00 0.00 N ATOM 110 C5 DA A 4 1.597 0.938 0.735 1.00 0.00 C ATOM 111 C6 DA A 4 0.267 1.406 0.783 1.00 0.00 C ATOM 112 N6 DA A 4 -0.779 0.597 1.005 1.00 0.00 N ATOM 113 N1 DA A 4 0.053 2.727 0.590 1.00 0.00 N ATOM 114 C2 DA A 4 1.100 3.523 0.367 1.00 0.00 C ATOM 115 N3 DA A 4 2.387 3.205 0.297 1.00 0.00 N ATOM 116 C4 DA A 4 2.570 1.874 0.489 1.00 0.00 C ATOM 0 H5' DA A 4 8.075 -0.177 -1.588 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.272 0.626 -0.591 1.00 0.00 H new ATOM 0 H4' DA A 4 7.555 2.156 -0.938 1.00 0.00 H new ATOM 0 H3' DA A 4 7.947 1.193 1.832 1.00 0.00 H new ATOM 0 H2' DA A 4 5.615 0.801 2.117 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.557 2.549 2.224 1.00 0.00 H new ATOM 0 H1' DA A 4 4.946 2.763 -0.177 1.00 0.00 H new ATOM 0 H8 DA A 4 4.181 -0.886 0.810 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.724 0.980 1.031 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.630 -0.402 1.148 1.00 0.00 H new ATOM 0 H2 DA A 4 0.869 4.568 0.224 1.00 0.00 H new ATOM 128 P DG A 5 8.193 3.772 2.728 1.00 0.00 P ATOM 129 OP1 DG A 5 9.297 4.738 2.530 1.00 0.00 O ATOM 130 OP2 DG A 5 8.334 2.699 3.739 1.00 0.00 O ATOM 131 O5' DG A 5 6.856 4.603 3.076 1.00 0.00 O ATOM 132 C5' DG A 5 6.522 5.783 2.371 1.00 0.00 C ATOM 133 C4' DG A 5 5.178 6.319 2.861 1.00 0.00 C ATOM 134 O4' DG A 5 4.164 5.358 2.638 1.00 0.00 O ATOM 135 C3' DG A 5 5.158 6.668 4.360 1.00 0.00 C ATOM 136 O3' DG A 5 4.876 8.054 4.491 1.00 0.00 O ATOM 137 C2' DG A 5 4.049 5.768 4.902 1.00 0.00 C ATOM 138 C1' DG A 5 3.208 5.538 3.657 1.00 0.00 C ATOM 139 N9 DG A 5 2.366 4.331 3.786 1.00 0.00 N ATOM 140 C8 DG A 5 2.753 3.041 4.030 1.00 0.00 C ATOM 141 N7 DG A 5 1.767 2.194 4.085 1.00 0.00 N ATOM 142 C5 DG A 5 0.639 2.969 3.875 1.00 0.00 C ATOM 143 C6 DG A 5 -0.736 2.594 3.826 1.00 0.00 C ATOM 144 O6 DG A 5 -1.218 1.467 3.950 1.00 0.00 O ATOM 145 N1 DG A 5 -1.566 3.693 3.601 1.00 0.00 N ATOM 146 C2 DG A 5 -1.121 4.998 3.444 1.00 0.00 C ATOM 147 N2 DG A 5 -2.043 5.948 3.258 1.00 0.00 N ATOM 148 N3 DG A 5 0.174 5.344 3.488 1.00 0.00 N ATOM 149 C4 DG A 5 0.998 4.286 3.700 1.00 0.00 C ATOM 0 H5' DG A 5 6.473 5.577 1.302 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.298 6.535 2.515 1.00 0.00 H new ATOM 0 H4' DG A 5 5.007 7.235 2.296 1.00 0.00 H new ATOM 0 H3' DG A 5 6.091 6.504 4.899 1.00 0.00 H new ATOM 0 H2' DG A 5 4.440 4.836 5.310 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.481 6.251 5.697 1.00 0.00 H new ATOM 0 H1' DG A 5 2.520 6.362 3.467 1.00 0.00 H new ATOM 0 H8 DG A 5 3.785 2.752 4.165 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.571 3.525 3.548 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.757 6.920 3.138 1.00 0.00 H new ATOM 0 H22 DG A 5 -3.032 5.701 3.236 1.00 0.00 H new ATOM 161 P DA A 6 4.712 8.787 5.922 1.00 0.00 P ATOM 162 OP1 DA A 6 5.075 10.211 5.756 1.00 0.00 O ATOM 163 OP2 DA A 6 5.390 7.971 6.954 1.00 0.00 O ATOM 164 O5' DA A 6 3.120 8.697 6.175 1.00 0.00 O ATOM 165 C5' DA A 6 2.205 9.415 5.370 1.00 0.00 C ATOM 166 C4' DA A 6 0.770 9.122 5.815 1.00 0.00 C ATOM 167 O4' DA A 6 0.464 7.755 5.586 1.00 0.00 O ATOM 168 C3' DA A 6 0.558 9.396 7.313 1.00 0.00 C ATOM 169 O3' DA A 6 -0.629 10.136 7.509 1.00 0.00 O ATOM 170 C2' DA A 6 0.386 7.996 7.889 1.00 0.00 C ATOM 171 C1' DA A 6 -0.268 7.300 6.705 1.00 0.00 C ATOM 172 N9 DA A 6 -0.221 5.836 6.837 1.00 0.00 N ATOM 173 C8 DA A 6 0.819 4.968 7.051 1.00 0.00 C ATOM 174 N7 DA A 6 0.449 3.715 7.110 1.00 0.00 N ATOM 175 C5 DA A 6 -0.929 3.760 6.927 1.00 0.00 C ATOM 176 C6 DA A 6 -1.952 2.785 6.879 1.00 0.00 C ATOM 177 N6 DA A 6 -1.711 1.477 7.020 1.00 0.00 N ATOM 178 N1 DA A 6 -3.223 3.205 6.679 1.00 0.00 N ATOM 179 C2 DA A 6 -3.454 4.511 6.537 1.00 0.00 C ATOM 180 N3 DA A 6 -2.592 5.507 6.562 1.00 0.00 N ATOM 181 C4 DA A 6 -1.332 5.055 6.762 1.00 0.00 C ATOM 0 H5' DA A 6 2.333 9.137 4.324 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.406 10.484 5.443 1.00 0.00 H new ATOM 0 H4' DA A 6 0.122 9.780 5.236 1.00 0.00 H new ATOM 0 H3' DA A 6 1.368 9.966 7.768 1.00 0.00 H new ATOM 0 H2' DA A 6 1.336 7.540 8.167 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.244 7.986 8.778 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.756 10.304 8.466 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.329 7.534 6.623 1.00 0.00 H new ATOM 0 H8 DA A 6 1.845 5.288 7.160 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.481 0.809 6.978 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.757 1.147 7.169 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.486 4.789 6.381 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -12.298 -2.007 5.815 1.00 0.00 O ATOM 196 C5' DT B 7 -11.027 -1.515 6.181 1.00 0.00 C ATOM 197 C4' DT B 7 -11.003 0.014 6.074 1.00 0.00 C ATOM 198 O4' DT B 7 -9.773 0.508 6.584 1.00 0.00 O ATOM 199 C3' DT B 7 -11.110 0.490 4.623 1.00 0.00 C ATOM 200 O3' DT B 7 -11.809 1.724 4.615 1.00 0.00 O ATOM 201 C2' DT B 7 -9.643 0.603 4.234 1.00 0.00 C ATOM 202 C1' DT B 7 -9.013 1.083 5.534 1.00 0.00 C ATOM 203 N1 DT B 7 -7.586 0.678 5.668 1.00 0.00 N ATOM 204 C2 DT B 7 -6.621 1.649 5.948 1.00 0.00 C ATOM 205 O2 DT B 7 -6.883 2.843 6.077 1.00 0.00 O ATOM 206 N3 DT B 7 -5.311 1.193 6.064 1.00 0.00 N ATOM 207 C4 DT B 7 -4.887 -0.128 5.929 1.00 0.00 C ATOM 208 O4 DT B 7 -3.703 -0.422 6.061 1.00 0.00 O ATOM 209 C5 DT B 7 -5.951 -1.068 5.637 1.00 0.00 C ATOM 210 C7 DT B 7 -5.617 -2.536 5.465 1.00 0.00 C ATOM 211 C6 DT B 7 -7.234 -0.643 5.521 1.00 0.00 C ATOM 0 H5' DT B 7 -10.262 -1.945 5.534 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.790 -1.820 7.200 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.857 0.384 6.642 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.656 -0.150 3.930 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.231 -0.352 3.908 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.489 1.311 3.419 1.00 0.00 H new ATOM 0 HO5' DT B 7 -12.303 -2.984 5.885 1.00 0.00 H new ATOM 0 H1' DT B 7 -9.022 2.173 5.560 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.595 1.890 6.267 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.467 -3.142 5.778 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.394 -2.738 4.417 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.749 -2.786 6.076 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.006 -1.367 5.306 1.00 0.00 H new ATOM 225 P DC B 8 -12.284 2.444 3.249 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.435 3.320 3.565 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.413 1.419 2.189 1.00 0.00 O ATOM 228 O5' DC B 8 -11.019 3.371 2.897 1.00 0.00 O ATOM 229 C5' DC B 8 -10.852 4.654 3.467 1.00 0.00 C ATOM 230 C4' DC B 8 -9.508 5.239 3.029 1.00 0.00 C ATOM 231 O4' DC B 8 -8.438 4.518 3.589 1.00 0.00 O ATOM 232 C3' DC B 8 -9.281 5.180 1.518 1.00 0.00 C ATOM 233 O3' DC B 8 -9.913 6.290 0.904 1.00 0.00 O ATOM 234 C2' DC B 8 -7.751 5.131 1.415 1.00 0.00 C ATOM 235 C1' DC B 8 -7.282 4.841 2.841 1.00 0.00 C ATOM 236 N1 DC B 8 -6.381 3.665 2.868 1.00 0.00 N ATOM 237 C2 DC B 8 -5.099 3.782 3.396 1.00 0.00 C ATOM 238 O2 DC B 8 -4.682 4.867 3.787 1.00 0.00 O ATOM 239 N3 DC B 8 -4.308 2.672 3.412 1.00 0.00 N ATOM 240 C4 DC B 8 -4.742 1.492 2.939 1.00 0.00 C ATOM 241 N4 DC B 8 -3.910 0.442 2.984 1.00 0.00 N ATOM 242 C5 DC B 8 -6.065 1.359 2.387 1.00 0.00 C ATOM 243 C6 DC B 8 -6.839 2.472 2.378 1.00 0.00 C ATOM 0 H5' DC B 8 -10.895 4.588 4.554 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.665 5.310 3.155 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.542 6.275 3.366 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.715 4.329 0.993 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.424 4.354 0.724 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.347 6.075 1.048 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.748 5.703 3.240 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.214 -0.465 2.631 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.972 0.550 3.371 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.424 0.417 1.999 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.839 2.416 1.975 1.00 0.00 H new ATOM 255 P DT B 9 -9.666 6.681 -0.641 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.793 7.521 -1.104 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.292 5.459 -1.387 1.00 0.00 O ATOM 258 O5' DT B 9 -8.369 7.616 -0.472 1.00 0.00 O ATOM 259 C5' DT B 9 -7.490 7.884 -1.537 1.00 0.00 C ATOM 260 C4' DT B 9 -6.244 8.553 -0.952 1.00 0.00 C ATOM 261 O4' DT B 9 -5.599 7.679 -0.029 1.00 0.00 O ATOM 262 C3' DT B 9 -5.250 8.863 -2.070 1.00 0.00 C ATOM 263 O3' DT B 9 -4.601 10.088 -1.768 1.00 0.00 O ATOM 264 C2' DT B 9 -4.341 7.652 -1.986 1.00 0.00 C ATOM 265 C1' DT B 9 -4.305 7.336 -0.503 1.00 0.00 C ATOM 266 N1 DT B 9 -3.997 5.889 -0.359 1.00 0.00 N ATOM 267 C2 DT B 9 -2.749 5.481 0.115 1.00 0.00 C ATOM 268 O2 DT B 9 -1.846 6.271 0.387 1.00 0.00 O ATOM 269 N3 DT B 9 -2.549 4.105 0.211 1.00 0.00 N ATOM 270 C4 DT B 9 -3.475 3.121 -0.128 1.00 0.00 C ATOM 271 O4 DT B 9 -3.201 1.932 0.021 1.00 0.00 O ATOM 272 C5 DT B 9 -4.741 3.635 -0.618 1.00 0.00 C ATOM 273 C7 DT B 9 -5.840 2.681 -1.039 1.00 0.00 C ATOM 274 C6 DT B 9 -4.949 4.969 -0.713 1.00 0.00 C ATOM 0 H5' DT B 9 -7.965 8.535 -2.271 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.223 6.962 -2.054 1.00 0.00 H new ATOM 0 H4' DT B 9 -6.556 9.468 -0.448 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.657 9.001 -3.072 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.733 6.816 -2.565 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.346 7.870 -2.374 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.550 7.879 0.065 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.644 3.790 0.561 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.811 3.145 -0.864 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.734 2.449 -2.099 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.767 1.762 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DC B 11 4.597 8.405 -5.619 1.00 0.00 C ATOM 324 C4' DC B 11 5.293 7.064 -5.852 1.00 0.00 C ATOM 325 O4' DC B 11 4.600 6.041 -5.152 1.00 0.00 O ATOM 326 C3' DC B 11 5.299 6.696 -7.343 1.00 0.00 C ATOM 327 O3' DC B 11 6.573 6.912 -7.933 1.00 0.00 O ATOM 328 C2' DC B 11 4.927 5.235 -7.288 1.00 0.00 C ATOM 329 C1' DC B 11 4.737 4.823 -5.856 1.00 0.00 C ATOM 330 N1 DC B 11 3.484 4.023 -5.807 1.00 0.00 N ATOM 331 C2 DC B 11 3.541 2.646 -5.621 1.00 0.00 C ATOM 332 O2 DC B 11 4.622 2.069 -5.533 1.00 0.00 O ATOM 333 N3 DC B 11 2.362 1.959 -5.579 1.00 0.00 N ATOM 334 C4 DC B 11 1.175 2.577 -5.702 1.00 0.00 C ATOM 335 N4 DC B 11 0.054 1.846 -5.651 1.00 0.00 N ATOM 336 C5 DC B 11 1.102 3.998 -5.904 1.00 0.00 C ATOM 337 C6 DC B 11 2.278 4.657 -5.945 1.00 0.00 C ATOM 0 H5' DC B 11 5.132 9.202 -6.135 1.00 0.00 H new ATOM 0 H5'' DC B 11 3.587 8.382 -6.028 1.00 0.00 H new ATOM 0 H4' DC B 11 6.319 7.154 -5.496 1.00 0.00 H new ATOM 0 H3' DC B 11 4.628 7.295 -7.958 1.00 0.00 H new ATOM 0 H2' DC B 11 4.011 5.060 -7.853 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.708 4.632 -7.751 1.00 0.00 H new ATOM 0 H1' DC B 11 5.547 4.227 -5.435 1.00 0.00 H new ATOM 0 H41 DC B 11 -0.855 2.299 -5.743 1.00 0.00 H new ATOM 0 H42 DC B 11 0.109 0.836 -5.521 1.00 0.00 H new ATOM 0 H5 DC B 11 0.158 4.510 -6.017 1.00 0.00 H new ATOM 0 H6 DC B 11 2.268 5.727 -6.092 1.00 0.00 H new ATOM 349 P DT B 12 6.847 6.715 -9.522 1.00 0.00 P ATOM 350 OP1 DT B 12 8.186 7.274 -9.820 1.00 0.00 O ATOM 351 OP2 DT B 12 5.668 7.225 -10.258 1.00 0.00 O ATOM 352 O5' DT B 12 6.916 5.115 -9.750 1.00 0.00 O ATOM 353 C5' DT B 12 7.970 4.327 -9.223 1.00 0.00 C ATOM 354 C4' DT B 12 7.733 2.839 -9.516 1.00 0.00 C ATOM 355 O4' DT B 12 6.513 2.421 -8.922 1.00 0.00 O ATOM 356 C3' DT B 12 7.643 2.539 -11.019 1.00 0.00 C ATOM 357 O3' DT B 12 8.370 1.367 -11.328 1.00 0.00 O ATOM 358 C2' DT B 12 6.154 2.297 -11.230 1.00 0.00 C ATOM 359 C1' DT B 12 5.760 1.699 -9.877 1.00 0.00 C ATOM 360 N1 DT B 12 4.297 1.798 -9.578 1.00 0.00 N ATOM 361 C2 DT B 12 3.629 0.637 -9.179 1.00 0.00 C ATOM 362 O2 DT B 12 4.182 -0.454 -9.055 1.00 0.00 O ATOM 363 N3 DT B 12 2.271 0.765 -8.915 1.00 0.00 N ATOM 364 C4 DT B 12 1.524 1.935 -9.017 1.00 0.00 C ATOM 365 O4 DT B 12 0.322 1.926 -8.760 1.00 0.00 O ATOM 366 C5 DT B 12 2.285 3.100 -9.434 1.00 0.00 C ATOM 367 C7 DT B 12 1.573 4.441 -9.588 1.00 0.00 C ATOM 368 C6 DT B 12 3.616 2.994 -9.695 1.00 0.00 C ATOM 0 H5' DT B 12 8.045 4.484 -8.147 1.00 0.00 H new ATOM 0 H5'' DT B 12 8.919 4.642 -9.658 1.00 0.00 H new ATOM 0 H4' DT B 12 8.587 2.303 -9.102 1.00 0.00 H new ATOM 0 H3' DT B 12 8.049 3.335 -11.643 1.00 0.00 H new ATOM 0 H2' DT B 12 5.613 3.218 -11.447 1.00 0.00 H new ATOM 0 H2'' DT B 12 5.961 1.612 -12.056 1.00 0.00 H new ATOM 0 HO3' DT B 12 8.304 1.185 -12.289 1.00 0.00 H new ATOM 0 H1' DT B 12 5.968 0.629 -9.867 1.00 0.00 H new ATOM 0 H3 DT B 12 1.776 -0.076 -8.619 1.00 0.00 H new ATOM 0 H71 DT B 12 2.272 5.250 -9.376 1.00 0.00 H new ATOM 0 H72 DT B 12 1.201 4.541 -10.608 1.00 0.00 H new ATOM 0 H73 DT B 12 0.737 4.491 -8.891 1.00 0.00 H new ATOM 0 H6 DT B 12 4.159 3.875 -10.004 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -11.989 -1.304 -6.987 1.00 0.00 O ATOM 384 C5' DT C 13 -10.662 -1.235 -7.461 1.00 0.00 C ATOM 385 C4' DT C 13 -9.891 -2.497 -7.054 1.00 0.00 C ATOM 386 O4' DT C 13 -8.589 -2.448 -7.616 1.00 0.00 O ATOM 387 C3' DT C 13 -9.716 -2.602 -5.534 1.00 0.00 C ATOM 388 O3' DT C 13 -9.780 -3.970 -5.162 1.00 0.00 O ATOM 389 C2' DT C 13 -8.364 -1.969 -5.332 1.00 0.00 C ATOM 390 C1' DT C 13 -7.636 -2.489 -6.569 1.00 0.00 C ATOM 391 N1 DT C 13 -6.479 -1.623 -6.891 1.00 0.00 N ATOM 392 C2 DT C 13 -5.213 -2.195 -7.021 1.00 0.00 C ATOM 393 O2 DT C 13 -5.007 -3.401 -6.902 1.00 0.00 O ATOM 394 N3 DT C 13 -4.175 -1.317 -7.316 1.00 0.00 N ATOM 395 C4 DT C 13 -4.298 0.060 -7.488 1.00 0.00 C ATOM 396 O4 DT C 13 -3.305 0.748 -7.712 1.00 0.00 O ATOM 397 C5 DT C 13 -5.652 0.566 -7.342 1.00 0.00 C ATOM 398 C7 DT C 13 -5.916 2.050 -7.509 1.00 0.00 C ATOM 399 C6 DT C 13 -6.676 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-6.679 -4.309 1.00 0.00 C ATOM 418 C4' DC C 14 -7.095 -7.310 -4.225 1.00 0.00 C ATOM 419 O4' DC C 14 -6.152 -6.413 -4.777 1.00 0.00 O ATOM 420 C3' DC C 14 -6.678 -7.632 -2.783 1.00 0.00 C ATOM 421 O3' DC C 14 -6.400 -9.024 -2.686 1.00 0.00 O ATOM 422 C2' DC C 14 -5.435 -6.770 -2.564 1.00 0.00 C ATOM 423 C1' DC C 14 -4.991 -6.374 -3.973 1.00 0.00 C ATOM 424 N1 DC C 14 -4.444 -4.988 -4.038 1.00 0.00 N ATOM 425 C2 DC C 14 -3.100 -4.775 -4.366 1.00 0.00 C ATOM 426 O2 DC C 14 -2.341 -5.717 -4.577 1.00 0.00 O ATOM 427 N3 DC C 14 -2.644 -3.487 -4.424 1.00 0.00 N ATOM 428 C4 DC C 14 -3.454 -2.443 -4.178 1.00 0.00 C ATOM 429 N4 DC C 14 -2.959 -1.200 -4.253 1.00 0.00 N ATOM 430 C5 DC C 14 -4.836 -2.646 -3.835 1.00 0.00 C ATOM 431 C6 DC C 14 -5.275 -3.925 -3.781 1.00 0.00 C ATOM 0 H5' DC C 14 -8.754 -6.502 -5.351 1.00 0.00 H new ATOM 0 H5'' DC C 14 -9.232 -7.364 -3.902 1.00 0.00 H new ATOM 0 H4' DC C 14 -7.128 -8.248 -4.779 1.00 0.00 H new ATOM 0 H3' DC C 14 -7.439 -7.421 -2.032 1.00 0.00 H new ATOM 0 H2' DC C 14 -5.662 -5.893 -1.958 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.654 -7.324 -2.043 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.203 -7.053 -4.299 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.563 -0.399 -4.069 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.979 -1.055 -4.494 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.494 -1.815 -3.630 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.308 -4.115 -3.529 1.00 0.00 H new ATOM 443 P DT C 15 -6.165 -9.779 -1.270 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.292 -11.236 -1.501 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.010 -9.126 -0.245 1.00 0.00 O ATOM 446 O5' DT C 15 -4.622 -9.461 -0.917 1.00 0.00 O ATOM 447 C5' DT C 15 -3.554 -10.154 -1.534 1.00 0.00 C ATOM 448 C4' DT C 15 -2.232 -9.417 -1.291 1.00 0.00 C ATOM 449 O4' DT C 15 -2.219 -8.167 -1.965 1.00 0.00 O ATOM 450 C3' DT C 15 -1.953 -9.103 0.185 1.00 0.00 C ATOM 451 O3' DT C 15 -1.217 -10.140 0.825 1.00 0.00 O ATOM 452 C2' DT C 15 -1.095 -7.862 0.034 1.00 0.00 C ATOM 453 C1' DT C 15 -1.165 -7.407 -1.408 1.00 0.00 C ATOM 454 N1 DT C 15 -1.457 -5.946 -1.372 1.00 0.00 N ATOM 455 C2 DT C 15 -0.481 -5.052 -1.797 1.00 0.00 C ATOM 456 O2 DT C 15 0.642 -5.411 -2.144 1.00 0.00 O ATOM 457 N3 DT C 15 -0.816 -3.704 -1.733 1.00 0.00 N ATOM 458 C4 DT C 15 -2.026 -3.180 -1.288 1.00 0.00 C ATOM 459 O4 DT C 15 -2.220 -1.967 -1.282 1.00 0.00 O ATOM 460 C5 DT C 15 -2.983 -4.179 -0.854 1.00 0.00 C ATOM 461 C7 DT C 15 -4.339 -3.749 -0.338 1.00 0.00 C ATOM 462 C6 DT C 15 -2.673 -5.497 -0.912 1.00 0.00 C ATOM 0 H5' DT C 15 -3.738 -10.241 -2.605 1.00 0.00 H new ATOM 0 H5'' DT C 15 -3.492 -11.167 -1.138 1.00 0.00 H new ATOM 0 H4' DT C 15 -1.471 -10.102 -1.664 1.00 0.00 H new ATOM 0 H3' DT C 15 -2.850 -8.989 0.794 1.00 0.00 H new ATOM 0 H2' DT C 15 -1.448 -7.073 0.698 1.00 0.00 H new ATOM 0 H2'' DT C 15 -0.064 -8.077 0.314 1.00 0.00 H new ATOM 0 H1' DT C 15 -0.260 -7.551 -1.998 1.00 0.00 H new ATOM 0 H3 DT C 15 -0.109 -3.037 -2.041 1.00 0.00 H new ATOM 0 H71 DT C 15 -5.074 -4.523 -0.558 1.00 0.00 H new ATOM 0 H72 DT C 15 -4.286 -3.594 0.740 1.00 0.00 H new ATOM 0 H73 DT C 15 -4.635 -2.819 -0.824 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.406 -6.220 -0.586 1.00 0.00 H new ATOM 475 P DT C 16 -0.713 -10.048 2.373 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.223 -11.390 2.759 1.00 0.00 O ATOM 477 OP2 DT C 16 -1.799 -9.421 3.159 1.00 0.00 O ATOM 478 O5' DT C 16 0.559 -9.033 2.408 1.00 0.00 O ATOM 479 C5' DT C 16 1.826 -9.364 1.852 1.00 0.00 C ATOM 480 C4' DT C 16 2.792 -8.166 1.932 1.00 0.00 C ATOM 481 O4' DT C 16 2.201 -7.041 1.308 1.00 0.00 O ATOM 482 C3' DT C 16 3.156 -7.759 3.367 1.00 0.00 C ATOM 483 O3' DT C 16 4.499 -8.121 3.668 1.00 0.00 O ATOM 484 C2' DT C 16 2.970 -6.240 3.376 1.00 0.00 C ATOM 485 C1' DT C 16 2.649 -5.854 1.936 1.00 0.00 C ATOM 486 N1 DT C 16 1.539 -4.869 1.883 1.00 0.00 N ATOM 487 C2 DT C 16 1.742 -3.610 1.332 1.00 0.00 C ATOM 488 O2 DT C 16 2.837 -3.231 0.928 1.00 0.00 O ATOM 489 N3 DT C 16 0.632 -2.769 1.313 1.00 0.00 N ATOM 490 C4 DT C 16 -0.649 -3.081 1.781 1.00 0.00 C ATOM 491 O4 DT C 16 -1.548 -2.246 1.716 1.00 0.00 O ATOM 492 C5 DT C 16 -0.767 -4.419 2.350 1.00 0.00 C ATOM 493 C7 DT C 16 -2.091 -4.946 2.901 1.00 0.00 C ATOM 494 C6 DT C 16 0.315 -5.234 2.370 1.00 0.00 C ATOM 0 H5' DT C 16 1.703 -9.668 0.813 1.00 0.00 H new ATOM 0 H5'' DT C 16 2.250 -10.215 2.385 1.00 0.00 H new ATOM 0 H4' DT C 16 3.706 -8.486 1.432 1.00 0.00 H new ATOM 0 H3' DT C 16 2.543 -8.255 4.119 1.00 0.00 H new ATOM 0 H2' DT C 16 2.163 -5.949 4.048 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.872 -5.737 3.724 1.00 0.00 H new ATOM 0 H1' DT C 16 3.525 -5.414 1.459 1.00 0.00 H new ATOM 0 H3 DT C 16 0.766 -1.837 0.921 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.681 -4.115 3.286 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.644 -5.445 2.105 1.00 0.00 H new ATOM 0 H73 DT C 16 -1.894 -5.655 3.705 1.00 0.00 H new ATOM 0 H6 DT C 16 0.205 -6.222 2.792 1.00 0.00 H new ATOM 507 P DC C 17 5.161 -7.906 5.138 1.00 0.00 P ATOM 508 OP1 DC C 17 6.421 -8.681 5.183 1.00 0.00 O ATOM 509 OP2 DC C 17 4.115 -8.158 6.154 1.00 0.00 O ATOM 510 O5' DC C 17 5.544 -6.333 5.203 1.00 0.00 O ATOM 511 C5' DC C 17 6.605 -5.788 4.439 1.00 0.00 C ATOM 512 C4' DC C 17 6.589 -4.253 4.482 1.00 0.00 C ATOM 513 O4' DC C 17 5.450 -3.717 3.828 1.00 0.00 O ATOM 514 C3' DC C 17 6.633 -3.666 5.901 1.00 0.00 C ATOM 515 O3' DC C 17 7.970 -3.309 6.218 1.00 0.00 O ATOM 516 C2' DC C 17 5.692 -2.483 5.767 1.00 0.00 C ATOM 517 C1' DC C 17 5.225 -2.407 4.321 1.00 0.00 C ATOM 518 N1 DC C 17 3.770 -2.093 4.375 1.00 0.00 N ATOM 519 C2 DC C 17 3.260 -0.854 3.998 1.00 0.00 C ATOM 520 O2 DC C 17 4.007 0.056 3.657 1.00 0.00 O ATOM 521 N3 DC C 17 1.907 -0.663 4.089 1.00 0.00 N ATOM 522 C4 DC C 17 1.073 -1.624 4.527 1.00 0.00 C ATOM 523 N4 DC C 17 -0.241 -1.359 4.589 1.00 0.00 N ATOM 524 C5 DC C 17 1.602 -2.903 4.928 1.00 0.00 C ATOM 525 C6 DC C 17 2.922 -3.059 4.825 1.00 0.00 C ATOM 0 H5' DC C 17 6.524 -6.126 3.406 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.558 -6.155 4.821 1.00 0.00 H new ATOM 0 H4' DC C 17 7.503 -3.966 3.962 1.00 0.00 H new ATOM 0 H3' DC C 17 6.332 -4.332 6.710 1.00 0.00 H new ATOM 0 H2' DC C 17 4.839 -2.598 6.436 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.198 -1.561 6.052 1.00 0.00 H new ATOM 0 H1' DC C 17 5.723 -1.664 3.699 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.890 -2.073 4.918 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.590 -0.443 4.307 1.00 0.00 H new ATOM 0 H5 DC C 17 0.963 -3.693 5.293 1.00 0.00 H new ATOM 0 H6 DC C 17 3.345 -4.009 5.116 1.00 0.00 H new ATOM 537 P DT C 18 8.425 -2.827 7.696 1.00 0.00 P ATOM 538 OP1 DT C 18 9.904 -2.840 7.742 1.00 0.00 O ATOM 539 OP2 DT C 18 7.658 -3.599 8.698 1.00 0.00 O ATOM 540 O5' DT C 18 7.938 -1.292 7.772 1.00 0.00 O ATOM 541 C5' DT C 18 8.525 -0.281 6.974 1.00 0.00 C ATOM 542 C4' DT C 18 7.804 1.049 7.214 1.00 0.00 C ATOM 543 O4' DT C 18 6.445 0.927 6.817 1.00 0.00 O ATOM 544 C3' DT C 18 7.820 1.447 8.698 1.00 0.00 C ATOM 545 O3' DT C 18 8.040 2.836 8.825 1.00 0.00 O ATOM 546 C2' DT C 18 6.405 1.102 9.149 1.00 0.00 C ATOM 547 C1' DT C 18 5.635 1.415 7.866 1.00 0.00 C ATOM 548 N1 DT C 18 4.248 0.860 7.815 1.00 0.00 N ATOM 549 C2 DT C 18 3.232 1.718 7.387 1.00 0.00 C ATOM 550 O2 DT C 18 3.431 2.882 7.043 1.00 0.00 O ATOM 551 N3 DT C 18 1.947 1.193 7.353 1.00 0.00 N ATOM 552 C4 DT C 18 1.585 -0.099 7.713 1.00 0.00 C ATOM 553 O4 DT C 18 0.411 -0.454 7.647 1.00 0.00 O ATOM 554 C5 DT C 18 2.692 -0.934 8.143 1.00 0.00 C ATOM 555 C7 DT C 18 2.395 -2.361 8.570 1.00 0.00 C ATOM 556 C6 DT C 18 3.962 -0.444 8.183 1.00 0.00 C ATOM 0 H5' DT C 18 8.464 -0.554 5.921 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.583 -0.181 7.216 1.00 0.00 H new ATOM 0 H4' DT C 18 8.325 1.811 6.634 1.00 0.00 H new ATOM 0 H3' DT C 18 8.600 0.951 9.276 1.00 0.00 H new ATOM 0 H2' DT C 18 6.306 0.059 9.451 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.076 1.710 9.992 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.047 3.081 9.774 1.00 0.00 H new ATOM 0 H1' DT C 18 5.461 2.489 7.793 1.00 0.00 H new ATOM 0 H3 DT C 18 1.201 1.812 7.035 1.00 0.00 H new ATOM 0 H71 DT C 18 3.257 -2.992 8.353 1.00 0.00 H new ATOM 0 H72 DT C 18 2.188 -2.385 9.640 1.00 0.00 H new ATOM 0 H73 DT C 18 1.527 -2.731 8.024 1.00 0.00 H new ATOM 0 H6 DT C 18 4.765 -1.088 8.510 1.00 0.00 H new TER 570 DT C 18