USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 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 1 DA O5' : rot 88:sc= 0.787 USER MOD Set 1.2: B 7 DT C7 :methyl 150:sc= -0.325 (180deg=-0.0347) USER MOD Set 2.1: A 7 DT C7 :methyl 150:sc= -0.313 (180deg=-0.0381) USER MOD Set 2.2: B 1 DA O5' : rot 31:sc= 0.827 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.81 (180deg=-2.46!) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.836 (180deg=-0.836) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.729 (180deg=-4.48!) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.697 (180deg=-2.41!) USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.807 (180deg=-0.807) USER MOD Single : B 8 DT C7 :methyl -30:sc= -0.813 (180deg=-4.46!) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 11.237 7.382 0.338 1.00 0.00 O ATOM 2 C5' DA A 1 11.938 8.255 1.230 1.00 0.00 C ATOM 3 C4' DA A 1 10.976 9.204 1.968 1.00 0.00 C ATOM 4 O4' DA A 1 10.400 10.177 1.057 1.00 0.00 O ATOM 5 C3' DA A 1 9.829 8.425 2.605 1.00 0.00 C ATOM 6 O3' DA A 1 9.751 8.708 4.011 1.00 0.00 O ATOM 7 C2' DA A 1 8.580 8.879 1.883 1.00 0.00 C ATOM 8 C1' DA A 1 8.956 10.127 1.117 1.00 0.00 C ATOM 9 N9 DA A 1 8.362 10.111 -0.228 1.00 0.00 N ATOM 10 C8 DA A 1 7.219 10.684 -0.638 1.00 0.00 C ATOM 11 N7 DA A 1 6.862 10.510 -1.866 1.00 0.00 N ATOM 12 C5 DA A 1 7.906 9.714 -2.349 1.00 0.00 C ATOM 13 C6 DA A 1 8.170 9.147 -3.604 1.00 0.00 C ATOM 14 N6 DA A 1 7.357 9.283 -4.653 1.00 0.00 N ATOM 15 N1 DA A 1 9.295 8.423 -3.729 1.00 0.00 N ATOM 16 C2 DA A 1 10.113 8.262 -2.686 1.00 0.00 C ATOM 17 N3 DA A 1 9.958 8.747 -1.460 1.00 0.00 N ATOM 18 C4 DA A 1 8.828 9.469 -1.355 1.00 0.00 C ATOM 0 H5' DA A 1 12.667 8.839 0.669 1.00 0.00 H new ATOM 0 H5'' DA A 1 12.495 7.663 1.957 1.00 0.00 H new ATOM 0 H4' DA A 1 11.559 9.713 2.736 1.00 0.00 H new ATOM 0 H3' DA A 1 9.966 7.347 2.515 1.00 0.00 H new ATOM 0 H2' DA A 1 8.219 8.103 1.208 1.00 0.00 H new ATOM 0 H2'' DA A 1 7.777 9.085 2.590 1.00 0.00 H new ATOM 0 HO5' DA A 1 11.144 7.814 -0.537 1.00 0.00 H new ATOM 0 H1' DA A 1 8.572 11.017 1.616 1.00 0.00 H new ATOM 0 H8 DA A 1 6.617 11.272 0.039 1.00 0.00 H new ATOM 0 H61 DA A 1 7.597 8.849 -5.544 1.00 0.00 H new ATOM 0 H62 DA A 1 6.495 9.821 -4.564 1.00 0.00 H new ATOM 0 H2 DA A 1 11.000 7.671 -2.859 1.00 0.00 H new ATOM 31 P DA A 2 8.634 8.004 4.937 1.00 0.00 P ATOM 32 OP1 DA A 2 8.925 8.327 6.350 1.00 0.00 O ATOM 33 OP2 DA A 2 8.501 6.592 4.514 1.00 0.00 O ATOM 34 O5' DA A 2 7.297 8.780 4.511 1.00 0.00 O ATOM 35 C5' DA A 2 7.057 10.129 4.920 1.00 0.00 C ATOM 36 C4' DA A 2 5.692 10.594 4.423 1.00 0.00 C ATOM 37 O4' DA A 2 5.656 10.611 2.977 1.00 0.00 O ATOM 38 C3' DA A 2 4.568 9.664 4.905 1.00 0.00 C ATOM 39 O3' DA A 2 3.607 10.397 5.679 1.00 0.00 O ATOM 40 C2' DA A 2 3.945 9.106 3.651 1.00 0.00 C ATOM 41 C1' DA A 2 4.458 9.961 2.509 1.00 0.00 C ATOM 42 N9 DA A 2 4.725 9.171 1.283 1.00 0.00 N ATOM 43 C8 DA A 2 5.413 8.009 1.106 1.00 0.00 C ATOM 44 N7 DA A 2 5.576 7.592 -0.109 1.00 0.00 N ATOM 45 C5 DA A 2 4.913 8.586 -0.838 1.00 0.00 C ATOM 46 C6 DA A 2 4.696 8.772 -2.207 1.00 0.00 C ATOM 47 N6 DA A 2 5.185 7.950 -3.131 1.00 0.00 N ATOM 48 N1 DA A 2 3.993 9.857 -2.585 1.00 0.00 N ATOM 49 C2 DA A 2 3.536 10.714 -1.670 1.00 0.00 C ATOM 50 N3 DA A 2 3.690 10.638 -0.351 1.00 0.00 N ATOM 51 C4 DA A 2 4.392 9.543 0.001 1.00 0.00 C ATOM 0 H5' DA A 2 7.837 10.781 4.526 1.00 0.00 H new ATOM 0 H5'' DA A 2 7.100 10.201 6.007 1.00 0.00 H new ATOM 0 H4' DA A 2 5.538 11.596 4.824 1.00 0.00 H new ATOM 0 H3' DA A 2 4.942 8.870 5.551 1.00 0.00 H new ATOM 0 H2' DA A 2 4.222 8.061 3.510 1.00 0.00 H new ATOM 0 H2'' DA A 2 2.857 9.143 3.707 1.00 0.00 H new ATOM 0 H1' DA A 2 3.699 10.690 2.226 1.00 0.00 H new ATOM 0 H8 DA A 2 5.807 7.457 1.946 1.00 0.00 H new ATOM 0 H61 DA A 2 5.001 8.126 -4.119 1.00 0.00 H new ATOM 0 H62 DA A 2 5.744 7.144 -2.852 1.00 0.00 H new ATOM 0 H2 DA A 2 2.980 11.562 -2.041 1.00 0.00 H new ATOM 63 P DG A 3 3.261 9.971 7.200 1.00 0.00 P ATOM 64 OP1 DG A 3 3.317 11.184 8.044 1.00 0.00 O ATOM 65 OP2 DG A 3 4.076 8.786 7.550 1.00 0.00 O ATOM 66 O5' DG A 3 1.723 9.508 7.094 1.00 0.00 O ATOM 67 C5' DG A 3 1.076 9.475 5.822 1.00 0.00 C ATOM 68 C4' DG A 3 -0.403 9.784 5.931 1.00 0.00 C ATOM 69 O4' DG A 3 -1.035 9.702 4.635 1.00 0.00 O ATOM 70 C3' DG A 3 -1.081 8.796 6.856 1.00 0.00 C ATOM 71 O3' DG A 3 -1.962 9.484 7.757 1.00 0.00 O ATOM 72 C2' DG A 3 -1.829 7.867 5.931 1.00 0.00 C ATOM 73 C1' DG A 3 -1.999 8.634 4.630 1.00 0.00 C ATOM 74 N9 DG A 3 -1.814 7.779 3.453 1.00 0.00 N ATOM 75 C8 DG A 3 -2.505 7.794 2.295 1.00 0.00 C ATOM 76 N7 DG A 3 -2.148 6.974 1.374 1.00 0.00 N ATOM 77 C5 DG A 3 -1.079 6.314 1.977 1.00 0.00 C ATOM 78 C6 DG A 3 -0.255 5.286 1.467 1.00 0.00 C ATOM 79 O6 DG A 3 -0.312 4.756 0.361 1.00 0.00 O ATOM 80 N1 DG A 3 0.707 4.894 2.387 1.00 0.00 N ATOM 81 C2 DG A 3 0.858 5.429 3.656 1.00 0.00 C ATOM 82 N2 DG A 3 1.837 4.916 4.408 1.00 0.00 N ATOM 83 N3 DG A 3 0.081 6.404 4.145 1.00 0.00 N ATOM 84 C4 DG A 3 -0.863 6.798 3.257 1.00 0.00 C ATOM 0 H5' DG A 3 1.209 8.491 5.373 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.549 10.196 5.155 1.00 0.00 H new ATOM 0 H4' DG A 3 -0.503 10.794 6.327 1.00 0.00 H new ATOM 0 H3' DG A 3 -0.381 8.249 7.487 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.274 6.943 5.771 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.796 7.590 6.352 1.00 0.00 H new ATOM 0 H1' DG A 3 -3.016 9.021 4.566 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.331 8.473 2.147 1.00 0.00 H new ATOM 0 H1 DG A 3 1.352 4.155 2.108 1.00 0.00 H new ATOM 0 H21 DG A 3 1.995 5.271 5.351 1.00 0.00 H new ATOM 0 H22 DG A 3 2.426 4.170 4.039 1.00 0.00 H new ATOM 96 P DG A 4 -3.050 8.695 8.644 1.00 0.00 P ATOM 97 OP1 DG A 4 -3.612 9.641 9.635 1.00 0.00 O ATOM 98 OP2 DG A 4 -2.456 7.417 9.096 1.00 0.00 O ATOM 99 O5' DG A 4 -4.183 8.370 7.557 1.00 0.00 O ATOM 100 C5' DG A 4 -4.855 9.433 6.879 1.00 0.00 C ATOM 101 C4' DG A 4 -5.678 8.911 5.715 1.00 0.00 C ATOM 102 O4' DG A 4 -4.870 8.189 4.770 1.00 0.00 O ATOM 103 C3' DG A 4 -6.748 7.959 6.210 1.00 0.00 C ATOM 104 O3' DG A 4 -8.017 8.614 6.293 1.00 0.00 O ATOM 105 C2' DG A 4 -6.765 6.836 5.204 1.00 0.00 C ATOM 106 C1' DG A 4 -5.677 7.147 4.198 1.00 0.00 C ATOM 107 N9 DG A 4 -4.878 5.945 3.909 1.00 0.00 N ATOM 108 C8 DG A 4 -4.117 5.208 4.745 1.00 0.00 C ATOM 109 N7 DG A 4 -3.495 4.188 4.252 1.00 0.00 N ATOM 110 C5 DG A 4 -3.891 4.241 2.912 1.00 0.00 C ATOM 111 C6 DG A 4 -3.552 3.387 1.833 1.00 0.00 C ATOM 112 O6 DG A 4 -2.805 2.412 1.846 1.00 0.00 O ATOM 113 N1 DG A 4 -4.167 3.786 0.651 1.00 0.00 N ATOM 114 C2 DG A 4 -5.008 4.880 0.523 1.00 0.00 C ATOM 115 N2 DG A 4 -5.519 5.110 -0.685 1.00 0.00 N ATOM 116 N3 DG A 4 -5.327 5.690 1.537 1.00 0.00 N ATOM 117 C4 DG A 4 -4.739 5.315 2.695 1.00 0.00 C ATOM 0 H5' DG A 4 -4.124 10.155 6.515 1.00 0.00 H new ATOM 0 H5'' DG A 4 -5.504 9.961 7.578 1.00 0.00 H new ATOM 0 H4' DG A 4 -6.119 9.783 5.232 1.00 0.00 H new ATOM 0 H3' DG A 4 -6.541 7.592 7.215 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.583 5.877 5.689 1.00 0.00 H new ATOM 0 H2'' DG A 4 -7.737 6.767 4.716 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.100 7.473 3.248 1.00 0.00 H new ATOM 0 H8 DG A 4 -4.031 5.462 5.791 1.00 0.00 H new ATOM 0 H1 DG A 4 -3.985 3.231 -0.185 1.00 0.00 H new ATOM 0 H21 DG A 4 -6.144 5.903 -0.832 1.00 0.00 H new ATOM 0 H22 DG A 4 -5.286 4.493 -1.463 1.00 0.00 H new ATOM 129 P DT A 5 -9.345 7.780 6.647 1.00 0.00 P ATOM 130 OP1 DT A 5 -10.414 8.745 6.987 1.00 0.00 O ATOM 131 OP2 DT A 5 -8.987 6.707 7.600 1.00 0.00 O ATOM 132 O5' DT A 5 -9.702 7.107 5.238 1.00 0.00 O ATOM 133 C5' DT A 5 -10.101 7.922 4.135 1.00 0.00 C ATOM 134 C4' DT A 5 -10.406 7.084 2.908 1.00 0.00 C ATOM 135 O4' DT A 5 -9.257 6.306 2.511 1.00 0.00 O ATOM 136 C3' DT A 5 -11.557 6.126 3.183 1.00 0.00 C ATOM 137 O3' DT A 5 -12.639 6.387 2.294 1.00 0.00 O ATOM 138 C2' DT A 5 -10.991 4.750 2.930 1.00 0.00 C ATOM 139 C1' DT A 5 -9.693 4.983 2.169 1.00 0.00 C ATOM 140 N1 DT A 5 -8.680 3.971 2.521 1.00 0.00 N ATOM 141 C2 DT A 5 -8.159 3.215 1.489 1.00 0.00 C ATOM 142 O2 DT A 5 -8.496 3.376 0.313 1.00 0.00 O ATOM 143 N3 DT A 5 -7.235 2.261 1.852 1.00 0.00 N ATOM 144 C4 DT A 5 -6.793 2.001 3.136 1.00 0.00 C ATOM 145 O4 DT A 5 -5.984 1.113 3.350 1.00 0.00 O ATOM 146 C5 DT A 5 -7.387 2.841 4.146 1.00 0.00 C ATOM 147 C7 DT A 5 -6.979 2.663 5.606 1.00 0.00 C ATOM 148 C6 DT A 5 -8.291 3.779 3.820 1.00 0.00 C ATOM 0 H5' DT A 5 -9.310 8.635 3.903 1.00 0.00 H new ATOM 0 H5'' DT A 5 -10.982 8.502 4.409 1.00 0.00 H new ATOM 0 H4' DT A 5 -10.676 7.773 2.108 1.00 0.00 H new ATOM 0 H3' DT A 5 -11.944 6.230 4.197 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.809 4.222 3.866 1.00 0.00 H new ATOM 0 H2'' DT A 5 -11.683 4.141 2.349 1.00 0.00 H new ATOM 0 H1' DT A 5 -9.845 4.892 1.094 1.00 0.00 H new ATOM 0 H3 DT A 5 -6.839 1.693 1.103 1.00 0.00 H new ATOM 0 H71 DT A 5 -6.703 1.623 5.783 1.00 0.00 H new ATOM 0 H72 DT A 5 -6.128 3.307 5.827 1.00 0.00 H new ATOM 0 H73 DT A 5 -7.814 2.932 6.253 1.00 0.00 H new ATOM 0 H6 DT A 5 -8.720 4.394 4.597 1.00 0.00 H new ATOM 161 P DT A 6 -14.151 6.454 2.823 1.00 0.00 P ATOM 162 OP1 DT A 6 -14.243 7.516 3.853 1.00 0.00 O ATOM 163 OP2 DT A 6 -14.603 5.079 3.133 1.00 0.00 O ATOM 164 O5' DT A 6 -14.916 6.961 1.503 1.00 0.00 O ATOM 165 C5' DT A 6 -15.859 6.127 0.820 1.00 0.00 C ATOM 166 C4' DT A 6 -15.222 5.363 -0.360 1.00 0.00 C ATOM 167 O4' DT A 6 -14.485 6.264 -1.233 1.00 0.00 O ATOM 168 C3' DT A 6 -14.248 4.274 0.106 1.00 0.00 C ATOM 169 O3' DT A 6 -14.611 3.018 -0.488 1.00 0.00 O ATOM 170 C2' DT A 6 -12.883 4.722 -0.376 1.00 0.00 C ATOM 171 C1' DT A 6 -13.157 5.742 -1.478 1.00 0.00 C ATOM 172 N1 DT A 6 -12.149 6.829 -1.503 1.00 0.00 N ATOM 173 C2 DT A 6 -11.320 6.887 -2.611 1.00 0.00 C ATOM 174 O2 DT A 6 -11.356 6.039 -3.500 1.00 0.00 O ATOM 175 N3 DT A 6 -10.444 7.951 -2.662 1.00 0.00 N ATOM 176 C4 DT A 6 -10.323 8.956 -1.722 1.00 0.00 C ATOM 177 O4 DT A 6 -9.503 9.860 -1.877 1.00 0.00 O ATOM 178 C5 DT A 6 -11.225 8.819 -0.595 1.00 0.00 C ATOM 179 C7 DT A 6 -11.224 9.889 0.495 1.00 0.00 C ATOM 180 C6 DT A 6 -12.089 7.777 -0.515 1.00 0.00 C ATOM 0 H5' DT A 6 -16.681 6.740 0.451 1.00 0.00 H new ATOM 0 H5'' DT A 6 -16.285 5.412 1.524 1.00 0.00 H new ATOM 0 H4' DT A 6 -16.053 4.902 -0.894 1.00 0.00 H new ATOM 0 H3' DT A 6 -14.261 4.137 1.187 1.00 0.00 H new ATOM 0 H2' DT A 6 -12.306 5.166 0.435 1.00 0.00 H new ATOM 0 H2'' DT A 6 -12.304 3.880 -0.755 1.00 0.00 H new ATOM 0 H1' DT A 6 -13.092 5.266 -2.456 1.00 0.00 H new ATOM 0 H3 DT A 6 -9.826 8.001 -3.472 1.00 0.00 H new ATOM 0 H71 DT A 6 -12.218 9.961 0.935 1.00 0.00 H new ATOM 0 H72 DT A 6 -10.503 9.621 1.268 1.00 0.00 H new ATOM 0 H73 DT A 6 -10.949 10.850 0.061 1.00 0.00 H new ATOM 0 H6 DT A 6 -12.741 7.693 0.342 1.00 0.00 H new ATOM 193 P DT A 7 -14.637 1.650 0.365 1.00 0.00 P ATOM 194 OP1 DT A 7 -15.871 0.907 0.016 1.00 0.00 O ATOM 195 OP2 DT A 7 -14.342 1.963 1.779 1.00 0.00 O ATOM 196 O5' DT A 7 -13.381 0.852 -0.237 1.00 0.00 O ATOM 197 C5' DT A 7 -13.174 0.763 -1.651 1.00 0.00 C ATOM 198 C4' DT A 7 -11.875 0.026 -1.957 1.00 0.00 C ATOM 199 O4' DT A 7 -10.794 0.492 -1.107 1.00 0.00 O ATOM 200 C3' DT A 7 -12.065 -1.453 -1.693 1.00 0.00 C ATOM 201 O3' DT A 7 -11.718 -2.200 -2.851 1.00 0.00 O ATOM 202 C2' DT A 7 -11.155 -1.777 -0.532 1.00 0.00 C ATOM 203 C1' DT A 7 -10.178 -0.632 -0.436 1.00 0.00 C ATOM 204 N1 DT A 7 -9.900 -0.333 0.978 1.00 0.00 N ATOM 205 C2 DT A 7 -8.725 -0.830 1.502 1.00 0.00 C ATOM 206 O2 DT A 7 -7.931 -1.477 0.829 1.00 0.00 O ATOM 207 N3 DT A 7 -8.493 -0.570 2.832 1.00 0.00 N ATOM 208 C4 DT A 7 -9.326 0.141 3.680 1.00 0.00 C ATOM 209 O4 DT A 7 -9.004 0.340 4.849 1.00 0.00 O ATOM 210 C5 DT A 7 -10.539 0.623 3.050 1.00 0.00 C ATOM 211 C7 DT A 7 -11.564 1.386 3.891 1.00 0.00 C ATOM 212 C6 DT A 7 -10.786 0.378 1.740 1.00 0.00 C ATOM 0 H5' DT A 7 -13.142 1.763 -2.083 1.00 0.00 H new ATOM 0 H5'' DT A 7 -14.012 0.242 -2.115 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.622 0.213 -3.001 1.00 0.00 H new ATOM 0 H3' DT A 7 -13.099 -1.705 -1.458 1.00 0.00 H new ATOM 0 H2' DT A 7 -11.724 -1.883 0.392 1.00 0.00 H new ATOM 0 H2'' DT A 7 -10.635 -2.721 -0.696 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.223 -0.871 -0.904 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.628 -0.934 3.231 1.00 0.00 H new ATOM 0 H71 DT A 7 -12.093 2.101 3.260 1.00 0.00 H new ATOM 0 H72 DT A 7 -12.278 0.683 4.320 1.00 0.00 H new ATOM 0 H73 DT A 7 -11.053 1.919 4.693 1.00 0.00 H new ATOM 0 H6 DT A 7 -11.695 0.749 1.291 1.00 0.00 H new ATOM 225 P DT A 8 -11.932 -3.786 -2.901 1.00 0.00 P ATOM 226 OP1 DT A 8 -13.030 -4.085 -3.845 1.00 0.00 O ATOM 227 OP2 DT A 8 -11.978 -4.308 -1.518 1.00 0.00 O ATOM 228 O5' DT A 8 -10.562 -4.276 -3.557 1.00 0.00 O ATOM 229 C5' DT A 8 -9.422 -4.493 -2.733 1.00 0.00 C ATOM 230 C4' DT A 8 -8.705 -5.757 -3.150 1.00 0.00 C ATOM 231 O4' DT A 8 -9.621 -6.879 -3.152 1.00 0.00 O ATOM 232 C3' DT A 8 -8.156 -5.595 -4.553 1.00 0.00 C ATOM 233 O3' DT A 8 -6.779 -5.941 -4.597 1.00 0.00 O ATOM 234 C2' DT A 8 -8.961 -6.535 -5.418 1.00 0.00 C ATOM 235 C1' DT A 8 -9.641 -7.494 -4.455 1.00 0.00 C ATOM 236 N1 DT A 8 -11.022 -7.811 -4.890 1.00 0.00 N ATOM 237 C2 DT A 8 -11.306 -9.138 -5.156 1.00 0.00 C ATOM 238 O2 DT A 8 -10.468 -10.029 -5.023 1.00 0.00 O ATOM 239 N3 DT A 8 -12.592 -9.412 -5.576 1.00 0.00 N ATOM 240 C4 DT A 8 -13.606 -8.492 -5.753 1.00 0.00 C ATOM 241 O4 DT A 8 -14.717 -8.852 -6.135 1.00 0.00 O ATOM 242 C5 DT A 8 -13.224 -7.129 -5.453 1.00 0.00 C ATOM 243 C7 DT A 8 -14.250 -6.010 -5.611 1.00 0.00 C ATOM 244 C6 DT A 8 -11.975 -6.832 -5.040 1.00 0.00 C ATOM 0 H5' DT A 8 -9.728 -4.568 -1.690 1.00 0.00 H new ATOM 0 H5'' DT A 8 -8.745 -3.642 -2.806 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.896 -5.940 -2.442 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.234 -4.563 -4.895 1.00 0.00 H new ATOM 0 H2' DT A 8 -9.695 -5.990 -6.012 1.00 0.00 H new ATOM 0 H2'' DT A 8 -8.319 -7.071 -6.117 1.00 0.00 H new ATOM 0 H1' DT A 8 -9.110 -8.446 -4.429 1.00 0.00 H new ATOM 0 H3 DT A 8 -12.814 -10.387 -5.775 1.00 0.00 H new ATOM 0 H71 DT A 8 -14.955 -6.271 -6.400 1.00 0.00 H new ATOM 0 H72 DT A 8 -14.789 -5.875 -4.673 1.00 0.00 H new ATOM 0 H73 DT A 8 -13.740 -5.083 -5.873 1.00 0.00 H new ATOM 0 H6 DT A 8 -11.719 -5.806 -4.823 1.00 0.00 H new ATOM 257 P DA A 9 -5.939 -5.682 -5.936 1.00 0.00 P ATOM 258 OP1 DA A 9 -6.806 -4.956 -6.891 1.00 0.00 O ATOM 259 OP2 DA A 9 -5.302 -6.954 -6.340 1.00 0.00 O ATOM 260 O5' DA A 9 -4.790 -4.675 -5.442 1.00 0.00 O ATOM 261 C5' DA A 9 -5.123 -3.377 -4.945 1.00 0.00 C ATOM 262 C4' DA A 9 -4.534 -3.150 -3.553 1.00 0.00 C ATOM 263 O4' DA A 9 -4.623 -1.758 -3.166 1.00 0.00 O ATOM 264 C3' DA A 9 -5.275 -3.979 -2.498 1.00 0.00 C ATOM 265 O3' DA A 9 -4.376 -4.871 -1.822 1.00 0.00 O ATOM 266 C2' DA A 9 -5.846 -2.976 -1.527 1.00 0.00 C ATOM 267 C1' DA A 9 -5.166 -1.657 -1.836 1.00 0.00 C ATOM 268 N9 DA A 9 -6.113 -0.549 -1.728 1.00 0.00 N ATOM 269 C8 DA A 9 -6.161 0.412 -0.792 1.00 0.00 C ATOM 270 N7 DA A 9 -7.077 1.307 -0.898 1.00 0.00 N ATOM 271 C5 DA A 9 -7.735 0.891 -2.062 1.00 0.00 C ATOM 272 C6 DA A 9 -8.827 1.401 -2.760 1.00 0.00 C ATOM 273 N6 DA A 9 -9.492 2.483 -2.353 1.00 0.00 N ATOM 274 N1 DA A 9 -9.222 0.744 -3.870 1.00 0.00 N ATOM 275 C2 DA A 9 -8.574 -0.360 -4.267 1.00 0.00 C ATOM 276 N3 DA A 9 -7.523 -0.924 -3.678 1.00 0.00 N ATOM 277 C4 DA A 9 -7.153 -0.243 -2.574 1.00 0.00 C ATOM 0 H5' DA A 9 -6.207 -3.266 -4.907 1.00 0.00 H new ATOM 0 H5'' DA A 9 -4.749 -2.616 -5.630 1.00 0.00 H new ATOM 0 H4' DA A 9 -3.489 -3.456 -3.603 1.00 0.00 H new ATOM 0 H3' DA A 9 -6.050 -4.598 -2.950 1.00 0.00 H new ATOM 0 H2' DA A 9 -6.927 -2.894 -1.642 1.00 0.00 H new ATOM 0 H2'' DA A 9 -5.658 -3.280 -0.497 1.00 0.00 H new ATOM 0 H1' DA A 9 -4.369 -1.455 -1.121 1.00 0.00 H new ATOM 0 H8 DA A 9 -5.453 0.432 0.023 1.00 0.00 H new ATOM 0 H61 DA A 9 -10.287 2.826 -2.892 1.00 0.00 H new ATOM 0 H62 DA A 9 -9.205 2.968 -1.503 1.00 0.00 H new ATOM 0 H2 DA A 9 -8.944 -0.843 -5.159 1.00 0.00 H new ATOM 289 P DA A 10 -4.539 -6.472 -1.933 1.00 0.00 P ATOM 290 OP1 DA A 10 -4.658 -6.819 -3.363 1.00 0.00 O ATOM 291 OP2 DA A 10 -5.589 -6.897 -0.978 1.00 0.00 O ATOM 292 O5' DA A 10 -3.114 -7.008 -1.397 1.00 0.00 O ATOM 293 C5' DA A 10 -1.924 -6.888 -2.193 1.00 0.00 C ATOM 294 C4' DA A 10 -0.740 -6.326 -1.352 1.00 0.00 C ATOM 295 O4' DA A 10 -0.806 -4.882 -1.231 1.00 0.00 O ATOM 296 C3' DA A 10 -0.711 -6.898 0.078 1.00 0.00 C ATOM 297 O3' DA A 10 0.529 -7.564 0.333 1.00 0.00 O ATOM 298 C2' DA A 10 -0.855 -5.701 0.999 1.00 0.00 C ATOM 299 C1' DA A 10 -0.595 -4.487 0.148 1.00 0.00 C ATOM 300 N9 DA A 10 -1.496 -3.401 0.514 1.00 0.00 N ATOM 301 C8 DA A 10 -2.362 -2.747 -0.263 1.00 0.00 C ATOM 302 N7 DA A 10 -3.097 -1.843 0.280 1.00 0.00 N ATOM 303 C5 DA A 10 -2.659 -1.899 1.605 1.00 0.00 C ATOM 304 C6 DA A 10 -3.029 -1.195 2.743 1.00 0.00 C ATOM 305 N6 DA A 10 -3.977 -0.275 2.719 1.00 0.00 N ATOM 306 N1 DA A 10 -2.398 -1.490 3.895 1.00 0.00 N ATOM 307 C2 DA A 10 -1.453 -2.437 3.913 1.00 0.00 C ATOM 308 N3 DA A 10 -1.030 -3.168 2.887 1.00 0.00 N ATOM 309 C4 DA A 10 -1.680 -2.845 1.756 1.00 0.00 C ATOM 0 H5' DA A 10 -2.115 -6.231 -3.041 1.00 0.00 H new ATOM 0 H5'' DA A 10 -1.655 -7.863 -2.599 1.00 0.00 H new ATOM 0 H4' DA A 10 0.159 -6.627 -1.891 1.00 0.00 H new ATOM 0 H3' DA A 10 -1.505 -7.630 0.229 1.00 0.00 H new ATOM 0 H2' DA A 10 -1.852 -5.664 1.437 1.00 0.00 H new ATOM 0 H2'' DA A 10 -0.146 -5.757 1.825 1.00 0.00 H new ATOM 0 H1' DA A 10 0.422 -4.124 0.294 1.00 0.00 H new ATOM 0 H8 DA A 10 -2.443 -2.971 -1.316 1.00 0.00 H new ATOM 0 H61 DA A 10 -4.225 0.224 3.573 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.461 -0.064 1.846 1.00 0.00 H new ATOM 0 H2 DA A 10 -0.982 -2.628 4.866 1.00 0.00 H new ATOM 321 P DG A 11 1.000 -8.812 -0.568 1.00 0.00 P ATOM 322 OP1 DG A 11 -0.189 -9.633 -0.893 1.00 0.00 O ATOM 323 OP2 DG A 11 2.170 -9.434 0.083 1.00 0.00 O ATOM 324 O5' DG A 11 1.507 -8.090 -1.924 1.00 0.00 O ATOM 325 C5' DG A 11 2.720 -7.321 -1.942 1.00 0.00 C ATOM 326 C4' DG A 11 2.980 -6.710 -3.322 1.00 0.00 C ATOM 327 O4' DG A 11 1.885 -5.855 -3.727 1.00 0.00 O ATOM 328 C3' DG A 11 4.254 -5.863 -3.333 1.00 0.00 C ATOM 329 O3' DG A 11 5.175 -6.361 -4.318 1.00 0.00 O ATOM 330 C2' DG A 11 3.799 -4.460 -3.653 1.00 0.00 C ATOM 331 C1' DG A 11 2.403 -4.602 -4.210 1.00 0.00 C ATOM 332 N9 DG A 11 1.537 -3.479 -3.823 1.00 0.00 N ATOM 333 C8 DG A 11 0.655 -2.814 -4.585 1.00 0.00 C ATOM 334 N7 DG A 11 -0.011 -1.849 -4.044 1.00 0.00 N ATOM 335 C5 DG A 11 0.490 -1.867 -2.738 1.00 0.00 C ATOM 336 C6 DG A 11 0.162 -1.046 -1.630 1.00 0.00 C ATOM 337 O6 DG A 11 -0.634 -0.113 -1.590 1.00 0.00 O ATOM 338 N1 DG A 11 0.892 -1.400 -0.498 1.00 0.00 N ATOM 339 C2 DG A 11 1.833 -2.420 -0.448 1.00 0.00 C ATOM 340 N2 DG A 11 2.430 -2.634 0.721 1.00 0.00 N ATOM 341 N3 DG A 11 2.146 -3.190 -1.490 1.00 0.00 N ATOM 342 C4 DG A 11 1.442 -2.865 -2.596 1.00 0.00 C ATOM 0 H5' DG A 11 3.559 -7.958 -1.661 1.00 0.00 H new ATOM 0 H5'' DG A 11 2.659 -6.527 -1.198 1.00 0.00 H new ATOM 0 H4' DG A 11 3.085 -7.547 -4.012 1.00 0.00 H new ATOM 0 H3' DG A 11 4.782 -5.895 -2.380 1.00 0.00 H new ATOM 0 H2' DG A 11 3.803 -3.834 -2.761 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.464 -3.988 -4.377 1.00 0.00 H new ATOM 0 H1' DG A 11 2.430 -4.588 -5.300 1.00 0.00 H new ATOM 0 H8 DG A 11 0.506 -3.078 -5.622 1.00 0.00 H new ATOM 0 H1 DG A 11 0.723 -0.871 0.358 1.00 0.00 H new ATOM 0 H21 DG A 11 3.129 -3.372 0.809 1.00 0.00 H new ATOM 0 H22 DG A 11 2.189 -2.060 1.529 1.00 0.00 H new ATOM 354 P DG A 12 6.417 -5.472 -4.831 1.00 0.00 P ATOM 355 OP1 DG A 12 7.252 -6.307 -5.723 1.00 0.00 O ATOM 356 OP2 DG A 12 7.017 -4.818 -3.654 1.00 0.00 O ATOM 357 O5' DG A 12 5.684 -4.354 -5.720 1.00 0.00 O ATOM 358 C5' DG A 12 4.872 -4.732 -6.836 1.00 0.00 C ATOM 359 C4' DG A 12 4.340 -3.505 -7.560 1.00 0.00 C ATOM 360 O4' DG A 12 3.426 -2.769 -6.722 1.00 0.00 O ATOM 361 C3' DG A 12 5.487 -2.585 -7.928 1.00 0.00 C ATOM 362 O3' DG A 12 5.584 -2.432 -9.344 1.00 0.00 O ATOM 363 C2' DG A 12 5.191 -1.279 -7.261 1.00 0.00 C ATOM 364 C1' DG A 12 3.755 -1.374 -6.786 1.00 0.00 C ATOM 365 N9 DG A 12 3.560 -0.720 -5.477 1.00 0.00 N ATOM 366 C8 DG A 12 4.294 -0.797 -4.339 1.00 0.00 C ATOM 367 N7 DG A 12 3.917 -0.078 -3.335 1.00 0.00 N ATOM 368 C5 DG A 12 2.788 0.562 -3.853 1.00 0.00 C ATOM 369 C6 DG A 12 1.914 1.496 -3.241 1.00 0.00 C ATOM 370 O6 DG A 12 1.966 1.944 -2.097 1.00 0.00 O ATOM 371 N1 DG A 12 0.903 1.893 -4.110 1.00 0.00 N ATOM 372 C2 DG A 12 0.752 1.442 -5.412 1.00 0.00 C ATOM 373 N2 DG A 12 -0.287 1.926 -6.102 1.00 0.00 N ATOM 374 N3 DG A 12 1.575 0.562 -5.990 1.00 0.00 N ATOM 375 C4 DG A 12 2.563 0.168 -5.162 1.00 0.00 C ATOM 0 H5' DG A 12 4.039 -5.347 -6.494 1.00 0.00 H new ATOM 0 H5'' DG A 12 5.456 -5.342 -7.526 1.00 0.00 H new ATOM 0 H4' DG A 12 3.820 -3.846 -8.455 1.00 0.00 H new ATOM 0 H3' DG A 12 6.445 -2.988 -7.600 1.00 0.00 H new ATOM 0 H2' DG A 12 5.869 -1.104 -6.425 1.00 0.00 H new ATOM 0 H2'' DG A 12 5.319 -0.448 -7.954 1.00 0.00 H new ATOM 0 HO3' DG A 12 6.330 -1.833 -9.558 1.00 0.00 H new ATOM 0 H1' DG A 12 3.097 -0.850 -7.480 1.00 0.00 H new ATOM 0 H8 DG A 12 5.162 -1.436 -4.275 1.00 0.00 H new ATOM 0 H1 DG A 12 0.221 2.567 -3.763 1.00 0.00 H new ATOM 0 H21 DG A 12 -0.444 1.627 -7.064 1.00 0.00 H new ATOM 0 H22 DG A 12 -0.922 2.594 -5.666 1.00 0.00 H new TER 388 DG A 12 ATOM 389 O5' DA B 1 -11.366 -1.109 5.624 1.00 0.00 O ATOM 390 C5' DA B 1 -11.762 -1.400 6.968 1.00 0.00 C ATOM 391 C4' DA B 1 -10.585 -1.940 7.803 1.00 0.00 C ATOM 392 O4' DA B 1 -10.194 -3.266 7.358 1.00 0.00 O ATOM 393 C3' DA B 1 -9.368 -1.028 7.678 1.00 0.00 C ATOM 394 O3' DA B 1 -8.922 -0.607 8.976 1.00 0.00 O ATOM 395 C2' DA B 1 -8.314 -1.852 6.974 1.00 0.00 C ATOM 396 C1' DA B 1 -8.788 -3.287 7.022 1.00 0.00 C ATOM 397 N9 DA B 1 -8.552 -3.957 5.734 1.00 0.00 N ATOM 398 C8 DA B 1 -7.513 -4.729 5.377 1.00 0.00 C ATOM 399 N7 DA B 1 -7.489 -5.188 4.171 1.00 0.00 N ATOM 400 C5 DA B 1 -8.670 -4.654 3.645 1.00 0.00 C ATOM 401 C6 DA B 1 -9.277 -4.742 2.384 1.00 0.00 C ATOM 402 N6 DA B 1 -8.746 -5.416 1.362 1.00 0.00 N ATOM 403 N1 DA B 1 -10.442 -4.094 2.214 1.00 0.00 N ATOM 404 C2 DA B 1 -10.981 -3.400 3.219 1.00 0.00 C ATOM 405 N3 DA B 1 -10.493 -3.248 4.444 1.00 0.00 N ATOM 406 C4 DA B 1 -9.328 -3.904 4.595 1.00 0.00 C ATOM 0 H5' DA B 1 -12.569 -2.133 6.959 1.00 0.00 H new ATOM 0 H5'' DA B 1 -12.156 -0.497 7.435 1.00 0.00 H new ATOM 0 H4' DA B 1 -10.922 -1.979 8.839 1.00 0.00 H new ATOM 0 H3' DA B 1 -9.593 -0.119 7.121 1.00 0.00 H new ATOM 0 H2' DA B 1 -8.186 -1.520 5.944 1.00 0.00 H new ATOM 0 H2'' DA B 1 -7.347 -1.746 7.465 1.00 0.00 H new ATOM 0 HO5' DA B 1 -10.650 -1.722 5.354 1.00 0.00 H new ATOM 0 H1' DA B 1 -8.234 -3.852 7.772 1.00 0.00 H new ATOM 0 H8 DA B 1 -6.723 -4.958 6.077 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.231 -5.447 0.465 1.00 0.00 H new ATOM 0 H62 DA B 1 -7.855 -5.900 1.478 1.00 0.00 H new ATOM 0 H2 DA B 1 -11.919 -2.907 3.012 1.00 0.00 H new ATOM 419 P DA B 2 -7.657 0.379 9.138 1.00 0.00 P ATOM 420 OP1 DA B 2 -7.563 0.792 10.555 1.00 0.00 O ATOM 421 OP2 DA B 2 -7.726 1.403 8.073 1.00 0.00 O ATOM 422 O5' DA B 2 -6.422 -0.592 8.816 1.00 0.00 O ATOM 423 C5' DA B 2 -5.999 -1.593 9.746 1.00 0.00 C ATOM 424 C4' DA B 2 -4.775 -2.326 9.208 1.00 0.00 C ATOM 425 O4' DA B 2 -5.103 -3.036 7.990 1.00 0.00 O ATOM 426 C3' DA B 2 -3.630 -1.355 8.886 1.00 0.00 C ATOM 427 O3' DA B 2 -2.459 -1.688 9.648 1.00 0.00 O ATOM 428 C2' DA B 2 -3.379 -1.507 7.407 1.00 0.00 C ATOM 429 C1' DA B 2 -4.105 -2.769 6.984 1.00 0.00 C ATOM 430 N9 DA B 2 -4.722 -2.648 5.642 1.00 0.00 N ATOM 431 C8 DA B 2 -5.507 -1.670 5.109 1.00 0.00 C ATOM 432 N7 DA B 2 -5.996 -1.876 3.928 1.00 0.00 N ATOM 433 C5 DA B 2 -5.473 -3.138 3.625 1.00 0.00 C ATOM 434 C6 DA B 2 -5.596 -3.971 2.508 1.00 0.00 C ATOM 435 N6 DA B 2 -6.353 -3.663 1.460 1.00 0.00 N ATOM 436 N1 DA B 2 -4.941 -5.148 2.533 1.00 0.00 N ATOM 437 C2 DA B 2 -4.214 -5.490 3.599 1.00 0.00 C ATOM 438 N3 DA B 2 -4.037 -4.782 4.711 1.00 0.00 N ATOM 439 C4 DA B 2 -4.697 -3.608 4.658 1.00 0.00 C ATOM 0 H5' DA B 2 -6.808 -2.302 9.922 1.00 0.00 H new ATOM 0 H5'' DA B 2 -5.764 -1.133 10.706 1.00 0.00 H new ATOM 0 H4' DA B 2 -4.459 -3.020 9.987 1.00 0.00 H new ATOM 0 H3' DA B 2 -3.882 -0.326 9.143 1.00 0.00 H new ATOM 0 H2' DA B 2 -3.750 -0.642 6.858 1.00 0.00 H new ATOM 0 H2'' DA B 2 -2.312 -1.583 7.199 1.00 0.00 H new ATOM 0 H1' DA B 2 -3.394 -3.592 6.904 1.00 0.00 H new ATOM 0 H8 DA B 2 -5.713 -0.759 5.651 1.00 0.00 H new ATOM 0 H61 DA B 2 -6.412 -4.303 0.668 1.00 0.00 H new ATOM 0 H62 DA B 2 -6.875 -2.787 1.448 1.00 0.00 H new ATOM 0 H2 DA B 2 -3.715 -6.447 3.554 1.00 0.00 H new ATOM 451 P DG B 3 -1.772 -0.610 10.635 1.00 0.00 P ATOM 452 OP1 DG B 3 -1.534 -1.264 11.941 1.00 0.00 O ATOM 453 OP2 DG B 3 -2.548 0.648 10.568 1.00 0.00 O ATOM 454 O5' DG B 3 -0.344 -0.356 9.938 1.00 0.00 O ATOM 455 C5' DG B 3 -0.040 -0.978 8.692 1.00 0.00 C ATOM 456 C4' DG B 3 1.437 -1.294 8.559 1.00 0.00 C ATOM 457 O4' DG B 3 1.717 -1.883 7.273 1.00 0.00 O ATOM 458 C3' DG B 3 2.259 -0.028 8.695 1.00 0.00 C ATOM 459 O3' DG B 3 3.382 -0.257 9.561 1.00 0.00 O ATOM 460 C2' DG B 3 2.689 0.292 7.284 1.00 0.00 C ATOM 461 C1' DG B 3 2.577 -1.013 6.514 1.00 0.00 C ATOM 462 N9 DG B 3 2.046 -0.816 5.160 1.00 0.00 N ATOM 463 C8 DG B 3 2.425 -1.429 4.021 1.00 0.00 C ATOM 464 N7 DG B 3 1.795 -1.128 2.942 1.00 0.00 N ATOM 465 C5 DG B 3 0.872 -0.191 3.402 1.00 0.00 C ATOM 466 C6 DG B 3 -0.120 0.516 2.687 1.00 0.00 C ATOM 467 O6 DG B 3 -0.377 0.447 1.488 1.00 0.00 O ATOM 468 N1 DG B 3 -0.844 1.363 3.516 1.00 0.00 N ATOM 469 C2 DG B 3 -0.636 1.513 4.877 1.00 0.00 C ATOM 470 N2 DG B 3 -1.426 2.385 5.510 1.00 0.00 N ATOM 471 N3 DG B 3 0.302 0.843 5.560 1.00 0.00 N ATOM 472 C4 DG B 3 1.016 0.010 4.765 1.00 0.00 C ATOM 0 H5' DG B 3 -0.345 -0.323 7.876 1.00 0.00 H new ATOM 0 H5'' DG B 3 -0.617 -1.897 8.596 1.00 0.00 H new ATOM 0 H4' DG B 3 1.700 -1.997 9.350 1.00 0.00 H new ATOM 0 H3' DG B 3 1.705 0.799 9.140 1.00 0.00 H new ATOM 0 H2' DG B 3 2.053 1.061 6.846 1.00 0.00 H new ATOM 0 H2'' DG B 3 3.710 0.673 7.263 1.00 0.00 H new ATOM 0 H1' DG B 3 3.568 -1.448 6.389 1.00 0.00 H new ATOM 0 H8 DG B 3 3.230 -2.148 4.015 1.00 0.00 H new ATOM 0 H1 DG B 3 -1.586 1.917 3.090 1.00 0.00 H new ATOM 0 H21 DG B 3 -1.318 2.536 6.513 1.00 0.00 H new ATOM 0 H22 DG B 3 -2.137 2.899 4.990 1.00 0.00 H new ATOM 484 P DG B 4 4.603 0.787 9.656 1.00 0.00 P ATOM 485 OP1 DG B 4 5.455 0.397 10.802 1.00 0.00 O ATOM 486 OP2 DG B 4 4.058 2.161 9.574 1.00 0.00 O ATOM 487 O5' DG B 4 5.404 0.477 8.302 1.00 0.00 O ATOM 488 C5' DG B 4 5.951 -0.823 8.072 1.00 0.00 C ATOM 489 C4' DG B 4 6.421 -0.976 6.637 1.00 0.00 C ATOM 490 O4' DG B 4 5.356 -0.743 5.698 1.00 0.00 O ATOM 491 C3' DG B 4 7.515 0.024 6.329 1.00 0.00 C ATOM 492 O3' DG B 4 8.805 -0.591 6.394 1.00 0.00 O ATOM 493 C2' DG B 4 7.207 0.525 4.941 1.00 0.00 C ATOM 494 C1' DG B 4 5.924 -0.158 4.515 1.00 0.00 C ATOM 495 N9 DG B 4 5.001 0.807 3.898 1.00 0.00 N ATOM 496 C8 DG B 4 4.428 1.903 4.440 1.00 0.00 C ATOM 497 N7 DG B 4 3.637 2.601 3.692 1.00 0.00 N ATOM 498 C5 DG B 4 3.687 1.887 2.491 1.00 0.00 C ATOM 499 C6 DG B 4 3.033 2.139 1.259 1.00 0.00 C ATOM 500 O6 DG B 4 2.252 3.049 0.990 1.00 0.00 O ATOM 501 N1 DG B 4 3.356 1.184 0.301 1.00 0.00 N ATOM 502 C2 DG B 4 4.207 0.111 0.507 1.00 0.00 C ATOM 503 N2 DG B 4 4.413 -0.702 -0.528 1.00 0.00 N ATOM 504 N3 DG B 4 4.823 -0.133 1.667 1.00 0.00 N ATOM 505 C4 DG B 4 4.522 0.787 2.609 1.00 0.00 C ATOM 0 H5' DG B 4 5.200 -1.581 8.294 1.00 0.00 H new ATOM 0 H5'' DG B 4 6.786 -0.994 8.751 1.00 0.00 H new ATOM 0 H4' DG B 4 6.784 -1.999 6.538 1.00 0.00 H new ATOM 0 H3' DG B 4 7.542 0.840 7.052 1.00 0.00 H new ATOM 0 H2' DG B 4 7.090 1.609 4.936 1.00 0.00 H new ATOM 0 H2'' DG B 4 8.019 0.289 4.254 1.00 0.00 H new ATOM 0 H1' DG B 4 6.116 -0.925 3.764 1.00 0.00 H new ATOM 0 H8 DG B 4 4.624 2.187 5.463 1.00 0.00 H new ATOM 0 H1 DG B 4 2.934 1.281 -0.623 1.00 0.00 H new ATOM 0 H21 DG B 4 5.031 -1.507 -0.429 1.00 0.00 H new ATOM 0 H22 DG B 4 3.952 -0.519 -1.420 1.00 0.00 H new ATOM 517 P DT B 5 10.122 0.221 5.959 1.00 0.00 P ATOM 518 OP1 DT B 5 11.303 -0.530 6.439 1.00 0.00 O ATOM 519 OP2 DT B 5 9.945 1.640 6.337 1.00 0.00 O ATOM 520 O5' DT B 5 10.070 0.112 4.362 1.00 0.00 O ATOM 521 C5' DT B 5 10.231 -1.155 3.724 1.00 0.00 C ATOM 522 C4' DT B 5 10.164 -1.029 2.215 1.00 0.00 C ATOM 523 O4' DT B 5 8.904 -0.463 1.796 1.00 0.00 O ATOM 524 C3' DT B 5 11.281 -0.134 1.699 1.00 0.00 C ATOM 525 O3' DT B 5 12.120 -0.858 0.804 1.00 0.00 O ATOM 526 C2' DT B 5 10.582 0.986 0.969 1.00 0.00 C ATOM 527 C1' DT B 5 9.152 0.502 0.766 1.00 0.00 C ATOM 528 N1 DT B 5 8.196 1.623 0.831 1.00 0.00 N ATOM 529 C2 DT B 5 7.384 1.825 -0.269 1.00 0.00 C ATOM 530 O2 DT B 5 7.426 1.099 -1.265 1.00 0.00 O ATOM 531 N3 DT B 5 6.521 2.894 -0.188 1.00 0.00 N ATOM 532 C4 DT B 5 6.400 3.765 0.879 1.00 0.00 C ATOM 533 O4 DT B 5 5.613 4.698 0.836 1.00 0.00 O ATOM 534 C5 DT B 5 7.280 3.475 1.982 1.00 0.00 C ATOM 535 C7 DT B 5 7.242 4.357 3.228 1.00 0.00 C ATOM 536 C6 DT B 5 8.134 2.439 1.929 1.00 0.00 C ATOM 0 H5' DT B 5 9.454 -1.838 4.068 1.00 0.00 H new ATOM 0 H5'' DT B 5 11.188 -1.590 4.012 1.00 0.00 H new ATOM 0 H4' DT B 5 10.270 -2.033 1.805 1.00 0.00 H new ATOM 0 H3' DT B 5 11.915 0.235 2.505 1.00 0.00 H new ATOM 0 H2' DT B 5 10.606 1.909 1.549 1.00 0.00 H new ATOM 0 H2'' DT B 5 11.066 1.196 0.015 1.00 0.00 H new ATOM 0 H1' DT B 5 9.023 0.057 -0.220 1.00 0.00 H new ATOM 0 H3 DT B 5 5.914 3.059 -0.991 1.00 0.00 H new ATOM 0 H71 DT B 5 6.954 5.370 2.948 1.00 0.00 H new ATOM 0 H72 DT B 5 6.517 3.956 3.936 1.00 0.00 H new ATOM 0 H73 DT B 5 8.229 4.375 3.691 1.00 0.00 H new ATOM 0 H6 DT B 5 8.785 2.246 2.769 1.00 0.00 H new ATOM 549 P DT B 6 13.719 -0.762 0.902 1.00 0.00 P ATOM 550 OP1 DT B 6 14.134 -1.204 2.254 1.00 0.00 O ATOM 551 OP2 DT B 6 14.143 0.560 0.390 1.00 0.00 O ATOM 552 O5' DT B 6 14.158 -1.888 -0.158 1.00 0.00 O ATOM 553 C5' DT B 6 14.844 -1.546 -1.368 1.00 0.00 C ATOM 554 C4' DT B 6 13.883 -1.402 -2.568 1.00 0.00 C ATOM 555 O4' DT B 6 13.009 -2.560 -2.685 1.00 0.00 O ATOM 556 C3' DT B 6 12.989 -0.162 -2.452 1.00 0.00 C ATOM 557 O3' DT B 6 13.108 0.630 -3.645 1.00 0.00 O ATOM 558 C2' DT B 6 11.578 -0.695 -2.301 1.00 0.00 C ATOM 559 C1' DT B 6 11.631 -2.133 -2.809 1.00 0.00 C ATOM 560 N1 DT B 6 10.725 -3.031 -2.056 1.00 0.00 N ATOM 561 C2 DT B 6 9.649 -3.558 -2.751 1.00 0.00 C ATOM 562 O2 DT B 6 9.405 -3.244 -3.916 1.00 0.00 O ATOM 563 N3 DT B 6 8.859 -4.459 -2.066 1.00 0.00 N ATOM 564 C4 DT B 6 9.044 -4.879 -0.764 1.00 0.00 C ATOM 565 O4 DT B 6 8.272 -5.693 -0.255 1.00 0.00 O ATOM 566 C5 DT B 6 10.189 -4.279 -0.108 1.00 0.00 C ATOM 567 C7 DT B 6 10.530 -4.694 1.322 1.00 0.00 C ATOM 568 C6 DT B 6 10.976 -3.385 -0.756 1.00 0.00 C ATOM 0 H5' DT B 6 15.587 -2.312 -1.591 1.00 0.00 H new ATOM 0 H5'' DT B 6 15.384 -0.610 -1.224 1.00 0.00 H new ATOM 0 H4' DT B 6 14.521 -1.311 -3.447 1.00 0.00 H new ATOM 0 H3' DT B 6 13.265 0.474 -1.611 1.00 0.00 H new ATOM 0 H2' DT B 6 11.253 -0.657 -1.261 1.00 0.00 H new ATOM 0 H2'' DT B 6 10.870 -0.100 -2.878 1.00 0.00 H new ATOM 0 H1' DT B 6 11.290 -2.179 -3.843 1.00 0.00 H new ATOM 0 H3 DT B 6 8.063 -4.852 -2.569 1.00 0.00 H new ATOM 0 H71 DT B 6 11.606 -4.612 1.478 1.00 0.00 H new ATOM 0 H72 DT B 6 10.011 -4.042 2.024 1.00 0.00 H new ATOM 0 H73 DT B 6 10.218 -5.725 1.486 1.00 0.00 H new ATOM 0 H6 DT B 6 11.815 -2.944 -0.239 1.00 0.00 H new ATOM 581 P DT B 7 13.258 2.235 -3.589 1.00 0.00 P ATOM 582 OP1 DT B 7 14.313 2.637 -4.548 1.00 0.00 O ATOM 583 OP2 DT B 7 13.348 2.657 -2.175 1.00 0.00 O ATOM 584 O5' DT B 7 11.841 2.728 -4.162 1.00 0.00 O ATOM 585 C5' DT B 7 11.281 2.141 -5.342 1.00 0.00 C ATOM 586 C4' DT B 7 9.901 2.725 -5.627 1.00 0.00 C ATOM 587 O4' DT B 7 9.101 2.795 -4.416 1.00 0.00 O ATOM 588 C3' DT B 7 10.054 4.134 -6.160 1.00 0.00 C ATOM 589 O3' DT B 7 9.380 4.255 -7.406 1.00 0.00 O ATOM 590 C2' DT B 7 9.445 5.032 -5.110 1.00 0.00 C ATOM 591 C1' DT B 7 8.601 4.140 -4.237 1.00 0.00 C ATOM 592 N1 DT B 7 8.706 4.573 -2.835 1.00 0.00 N ATOM 593 C2 DT B 7 7.671 5.335 -2.337 1.00 0.00 C ATOM 594 O2 DT B 7 6.693 5.632 -3.013 1.00 0.00 O ATOM 595 N3 DT B 7 7.797 5.761 -1.035 1.00 0.00 N ATOM 596 C4 DT B 7 8.860 5.489 -0.190 1.00 0.00 C ATOM 597 O4 DT B 7 8.855 5.896 0.970 1.00 0.00 O ATOM 598 C5 DT B 7 9.906 4.686 -0.794 1.00 0.00 C ATOM 599 C7 DT B 7 11.157 4.354 0.023 1.00 0.00 C ATOM 600 C6 DT B 7 9.800 4.258 -2.075 1.00 0.00 C ATOM 0 H5' DT B 7 11.206 1.061 -5.217 1.00 0.00 H new ATOM 0 H5'' DT B 7 11.940 2.319 -6.192 1.00 0.00 H new ATOM 0 H4' DT B 7 9.407 2.078 -6.352 1.00 0.00 H new ATOM 0 H3' DT B 7 11.095 4.401 -6.342 1.00 0.00 H new ATOM 0 H2' DT B 7 10.219 5.530 -4.526 1.00 0.00 H new ATOM 0 H2'' DT B 7 8.840 5.814 -5.569 1.00 0.00 H new ATOM 0 H1' DT B 7 7.546 4.187 -4.507 1.00 0.00 H new ATOM 0 H3 DT B 7 7.038 6.329 -0.658 1.00 0.00 H new ATOM 0 H71 DT B 7 11.556 3.392 -0.298 1.00 0.00 H new ATOM 0 H72 DT B 7 11.908 5.129 -0.131 1.00 0.00 H new ATOM 0 H73 DT B 7 10.898 4.305 1.081 1.00 0.00 H new ATOM 0 H6 DT B 7 10.590 3.659 -2.503 1.00 0.00 H new ATOM 613 P DT B 8 9.470 5.606 -8.262 1.00 0.00 P ATOM 614 OP1 DT B 8 10.274 5.344 -9.473 1.00 0.00 O ATOM 615 OP2 DT B 8 9.828 6.723 -7.359 1.00 0.00 O ATOM 616 O5' DT B 8 7.952 5.810 -8.703 1.00 0.00 O ATOM 617 C5' DT B 8 7.042 6.469 -7.828 1.00 0.00 C ATOM 618 C4' DT B 8 6.163 7.423 -8.605 1.00 0.00 C ATOM 619 O4' DT B 8 6.974 8.344 -9.373 1.00 0.00 O ATOM 620 C3' DT B 8 5.291 6.644 -9.570 1.00 0.00 C ATOM 621 O3' DT B 8 3.928 7.018 -9.427 1.00 0.00 O ATOM 622 C2' DT B 8 5.791 7.002 -10.948 1.00 0.00 C ATOM 623 C1' DT B 8 6.627 8.258 -10.769 1.00 0.00 C ATOM 624 N1 DT B 8 7.830 8.236 -11.633 1.00 0.00 N ATOM 625 C2 DT B 8 7.952 9.253 -12.564 1.00 0.00 C ATOM 626 O2 DT B 8 7.117 10.151 -12.668 1.00 0.00 O ATOM 627 N3 DT B 8 9.069 9.208 -13.371 1.00 0.00 N ATOM 628 C4 DT B 8 10.064 8.251 -13.334 1.00 0.00 C ATOM 629 O4 DT B 8 11.018 8.311 -14.105 1.00 0.00 O ATOM 630 C5 DT B 8 9.860 7.227 -12.333 1.00 0.00 C ATOM 631 C7 DT B 8 10.884 6.105 -12.187 1.00 0.00 C ATOM 632 C6 DT B 8 8.777 7.246 -11.529 1.00 0.00 C ATOM 0 H5' DT B 8 7.594 7.014 -7.062 1.00 0.00 H new ATOM 0 H5'' DT B 8 6.425 5.733 -7.313 1.00 0.00 H new ATOM 0 H4' DT B 8 5.548 7.976 -7.895 1.00 0.00 H new ATOM 0 H3' DT B 8 5.347 5.571 -9.384 1.00 0.00 H new ATOM 0 H2' DT B 8 6.386 6.193 -11.371 1.00 0.00 H new ATOM 0 H2'' DT B 8 4.961 7.178 -11.632 1.00 0.00 H new ATOM 0 H1' DT B 8 6.061 9.139 -11.071 1.00 0.00 H new ATOM 0 H3 DT B 8 9.170 9.952 -14.061 1.00 0.00 H new ATOM 0 H71 DT B 8 11.350 5.909 -13.153 1.00 0.00 H new ATOM 0 H72 DT B 8 11.649 6.401 -11.469 1.00 0.00 H new ATOM 0 H73 DT B 8 10.386 5.202 -11.835 1.00 0.00 H new ATOM 0 H6 DT B 8 8.652 6.469 -10.790 1.00 0.00 H new ATOM 645 P DA B 9 2.797 6.204 -10.218 1.00 0.00 P ATOM 646 OP1 DA B 9 3.443 5.054 -10.893 1.00 0.00 O ATOM 647 OP2 DA B 9 1.999 7.166 -11.008 1.00 0.00 O ATOM 648 O5' DA B 9 1.878 5.634 -9.032 1.00 0.00 O ATOM 649 C5' DA B 9 2.409 4.714 -8.076 1.00 0.00 C ATOM 650 C4' DA B 9 2.204 5.220 -6.650 1.00 0.00 C ATOM 651 O4' DA B 9 2.479 4.181 -5.679 1.00 0.00 O ATOM 652 C3' DA B 9 3.130 6.402 -6.345 1.00 0.00 C ATOM 653 O3' DA B 9 2.373 7.566 -5.977 1.00 0.00 O ATOM 654 C2' DA B 9 3.991 5.951 -5.191 1.00 0.00 C ATOM 655 C1' DA B 9 3.342 4.693 -4.648 1.00 0.00 C ATOM 656 N9 DA B 9 4.356 3.713 -4.264 1.00 0.00 N ATOM 657 C8 DA B 9 4.700 3.318 -3.028 1.00 0.00 C ATOM 658 N7 DA B 9 5.617 2.423 -2.918 1.00 0.00 N ATOM 659 C5 DA B 9 5.933 2.188 -4.263 1.00 0.00 C ATOM 660 C6 DA B 9 6.847 1.335 -4.880 1.00 0.00 C ATOM 661 N6 DA B 9 7.661 0.539 -4.185 1.00 0.00 N ATOM 662 N1 DA B 9 6.906 1.354 -6.227 1.00 0.00 N ATOM 663 C2 DA B 9 6.109 2.171 -6.927 1.00 0.00 C ATOM 664 N3 DA B 9 5.204 3.016 -6.439 1.00 0.00 N ATOM 665 C4 DA B 9 5.169 2.972 -5.090 1.00 0.00 C ATOM 0 H5' DA B 9 3.473 4.565 -8.262 1.00 0.00 H new ATOM 0 H5'' DA B 9 1.926 3.744 -8.194 1.00 0.00 H new ATOM 0 H4' DA B 9 1.162 5.531 -6.578 1.00 0.00 H new ATOM 0 H3' DA B 9 3.724 6.678 -7.216 1.00 0.00 H new ATOM 0 H2' DA B 9 5.011 5.752 -5.520 1.00 0.00 H new ATOM 0 H2'' DA B 9 4.049 6.722 -4.423 1.00 0.00 H new ATOM 0 H1' DA B 9 2.764 4.911 -3.750 1.00 0.00 H new ATOM 0 H8 DA B 9 4.223 3.738 -2.155 1.00 0.00 H new ATOM 0 H61 DA B 9 8.316 -0.071 -4.673 1.00 0.00 H new ATOM 0 H62 DA B 9 7.628 0.541 -3.166 1.00 0.00 H new ATOM 0 H2 DA B 9 6.211 2.141 -8.002 1.00 0.00 H new ATOM 677 P DA B 10 2.398 8.904 -6.877 1.00 0.00 P ATOM 678 OP1 DA B 10 2.132 8.515 -8.277 1.00 0.00 O ATOM 679 OP2 DA B 10 3.623 9.666 -6.541 1.00 0.00 O ATOM 680 O5' DA B 10 1.122 9.722 -6.327 1.00 0.00 O ATOM 681 C5' DA B 10 -0.220 9.313 -6.640 1.00 0.00 C ATOM 682 C4' DA B 10 -1.116 9.302 -5.366 1.00 0.00 C ATOM 683 O4' DA B 10 -0.927 8.092 -4.590 1.00 0.00 O ATOM 684 C3' DA B 10 -0.822 10.489 -4.429 1.00 0.00 C ATOM 685 O3' DA B 10 -2.000 11.275 -4.223 1.00 0.00 O ATOM 686 C2' DA B 10 -0.375 9.872 -3.118 1.00 0.00 C ATOM 687 C1' DA B 10 -0.760 8.419 -3.186 1.00 0.00 C ATOM 688 N9 DA B 10 0.273 7.585 -2.585 1.00 0.00 N ATOM 689 C8 DA B 10 0.958 6.584 -3.143 1.00 0.00 C ATOM 690 N7 DA B 10 1.862 6.005 -2.437 1.00 0.00 N ATOM 691 C5 DA B 10 1.768 6.717 -1.240 1.00 0.00 C ATOM 692 C6 DA B 10 2.456 6.621 -0.038 1.00 0.00 C ATOM 693 N6 DA B 10 3.427 5.742 0.144 1.00 0.00 N ATOM 694 N1 DA B 10 2.118 7.472 0.948 1.00 0.00 N ATOM 695 C2 DA B 10 1.147 8.372 0.746 1.00 0.00 C ATOM 696 N3 DA B 10 0.433 8.548 -0.360 1.00 0.00 N ATOM 697 C4 DA B 10 0.798 7.680 -1.321 1.00 0.00 C ATOM 0 H5' DA B 10 -0.205 8.319 -7.086 1.00 0.00 H new ATOM 0 H5'' DA B 10 -0.646 9.989 -7.382 1.00 0.00 H new ATOM 0 H4' DA B 10 -2.139 9.367 -5.737 1.00 0.00 H new ATOM 0 H3' DA B 10 -0.065 11.150 -4.850 1.00 0.00 H new ATOM 0 H2' DA B 10 0.701 9.984 -2.982 1.00 0.00 H new ATOM 0 H2'' DA B 10 -0.856 10.363 -2.272 1.00 0.00 H new ATOM 0 H1' DA B 10 -1.681 8.237 -2.633 1.00 0.00 H new ATOM 0 H8 DA B 10 0.758 6.270 -4.157 1.00 0.00 H new ATOM 0 H61 DA B 10 3.913 5.697 1.040 1.00 0.00 H new ATOM 0 H62 DA B 10 3.690 5.109 -0.611 1.00 0.00 H new ATOM 0 H2 DA B 10 0.919 9.027 1.574 1.00 0.00 H new ATOM 709 P DG B 11 -2.762 11.966 -5.460 1.00 0.00 P ATOM 710 OP1 DG B 11 -1.749 12.452 -6.426 1.00 0.00 O ATOM 711 OP2 DG B 11 -3.769 12.900 -4.917 1.00 0.00 O ATOM 712 O5' DG B 11 -3.545 10.719 -6.127 1.00 0.00 O ATOM 713 C5' DG B 11 -4.671 10.116 -5.471 1.00 0.00 C ATOM 714 C4' DG B 11 -5.228 8.937 -6.274 1.00 0.00 C ATOM 715 O4' DG B 11 -4.216 7.924 -6.480 1.00 0.00 O ATOM 716 C3' DG B 11 -6.406 8.274 -5.558 1.00 0.00 C ATOM 717 O3' DG B 11 -7.575 8.298 -6.394 1.00 0.00 O ATOM 718 C2' DG B 11 -5.955 6.863 -5.270 1.00 0.00 C ATOM 719 C1' DG B 11 -4.756 6.629 -6.157 1.00 0.00 C ATOM 720 N9 DG B 11 -3.749 5.774 -5.511 1.00 0.00 N ATOM 721 C8 DG B 11 -3.044 4.768 -6.055 1.00 0.00 C ATOM 722 N7 DG B 11 -2.202 4.141 -5.304 1.00 0.00 N ATOM 723 C5 DG B 11 -2.360 4.815 -4.089 1.00 0.00 C ATOM 724 C6 DG B 11 -1.713 4.606 -2.845 1.00 0.00 C ATOM 725 O6 DG B 11 -0.872 3.755 -2.565 1.00 0.00 O ATOM 726 N1 DG B 11 -2.157 5.504 -1.880 1.00 0.00 N ATOM 727 C2 DG B 11 -3.119 6.484 -2.089 1.00 0.00 C ATOM 728 N2 DG B 11 -3.417 7.269 -1.059 1.00 0.00 N ATOM 729 N3 DG B 11 -3.732 6.678 -3.257 1.00 0.00 N ATOM 730 C4 DG B 11 -3.310 5.819 -4.208 1.00 0.00 C ATOM 0 H5' DG B 11 -5.453 10.862 -5.330 1.00 0.00 H new ATOM 0 H5'' DG B 11 -4.374 9.774 -4.480 1.00 0.00 H new ATOM 0 H4' DG B 11 -5.557 9.346 -7.229 1.00 0.00 H new ATOM 0 H3' DG B 11 -6.680 8.793 -4.639 1.00 0.00 H new ATOM 0 H2' DG B 11 -5.694 6.742 -4.219 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.748 6.147 -5.486 1.00 0.00 H new ATOM 0 H1' DG B 11 -5.055 6.097 -7.060 1.00 0.00 H new ATOM 0 H8 DG B 11 -3.178 4.492 -7.091 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.745 5.438 -0.949 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.117 8.003 -1.163 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.946 7.137 -0.164 1.00 0.00 H new ATOM 742 P DG B 12 -8.845 7.355 -6.090 1.00 0.00 P ATOM 743 OP1 DG B 12 -9.930 7.714 -7.029 1.00 0.00 O ATOM 744 OP2 DG B 12 -9.086 7.385 -4.634 1.00 0.00 O ATOM 745 O5' DG B 12 -8.288 5.903 -6.486 1.00 0.00 O ATOM 746 C5' DG B 12 -7.810 5.646 -7.810 1.00 0.00 C ATOM 747 C4' DG B 12 -7.396 4.191 -7.964 1.00 0.00 C ATOM 748 O4' DG B 12 -6.254 3.888 -7.135 1.00 0.00 O ATOM 749 C3' DG B 12 -8.536 3.283 -7.545 1.00 0.00 C ATOM 750 O3' DG B 12 -8.977 2.478 -8.640 1.00 0.00 O ATOM 751 C2' DG B 12 -7.996 2.440 -6.435 1.00 0.00 C ATOM 752 C1' DG B 12 -6.497 2.657 -6.438 1.00 0.00 C ATOM 753 N9 DG B 12 -5.938 2.699 -5.074 1.00 0.00 N ATOM 754 C8 DG B 12 -6.366 3.360 -3.969 1.00 0.00 C ATOM 755 N7 DG B 12 -5.704 3.186 -2.874 1.00 0.00 N ATOM 756 C5 DG B 12 -4.702 2.304 -3.287 1.00 0.00 C ATOM 757 C6 DG B 12 -3.643 1.723 -2.545 1.00 0.00 C ATOM 758 O6 DG B 12 -3.377 1.882 -1.355 1.00 0.00 O ATOM 759 N1 DG B 12 -2.858 0.893 -3.339 1.00 0.00 N ATOM 760 C2 DG B 12 -3.068 0.655 -4.687 1.00 0.00 C ATOM 761 N2 DG B 12 -2.206 -0.168 -5.297 1.00 0.00 N ATOM 762 N3 DG B 12 -4.065 1.201 -5.389 1.00 0.00 N ATOM 763 C4 DG B 12 -4.838 2.007 -4.632 1.00 0.00 C ATOM 0 H5' DG B 12 -6.961 6.295 -8.027 1.00 0.00 H new ATOM 0 H5'' DG B 12 -8.588 5.886 -8.535 1.00 0.00 H new ATOM 0 H4' DG B 12 -7.140 4.028 -9.011 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.406 3.854 -7.221 1.00 0.00 H new ATOM 0 H2' DG B 12 -8.430 2.730 -5.478 1.00 0.00 H new ATOM 0 H2'' DG B 12 -8.238 1.389 -6.590 1.00 0.00 H new ATOM 0 HO3' DG B 12 -9.711 1.899 -8.346 1.00 0.00 H new ATOM 0 H1' DG B 12 -6.001 1.822 -6.934 1.00 0.00 H new ATOM 0 H8 DG B 12 -7.229 4.008 -4.004 1.00 0.00 H new ATOM 0 H1 DG B 12 -2.068 0.424 -2.895 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.316 -0.377 -6.289 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.440 -0.586 -4.769 1.00 0.00 H new TER 776 DG B 12