USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 DT C7 :methyl 150:sc= -2.7! (180deg=-2.7!) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= -4.64! (180deg=-4.64!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -12.906 -5.948 -10.379 1.00 0.00 C HETATM 2 C4' XTY A 1 -13.127 -7.384 -9.910 1.00 0.00 C HETATM 3 O4' XTY A 1 -12.358 -8.265 -10.738 1.00 0.00 O HETATM 4 C3' XTY A 1 -12.665 -7.669 -8.487 1.00 0.00 C HETATM 5 C2' XTY A 1 -11.245 -8.187 -8.660 1.00 0.00 C HETATM 6 C1' XTY A 1 -11.328 -8.932 -9.994 1.00 0.00 C HETATM 7 O5' XTY A 1 -12.967 -5.021 -9.292 1.00 0.00 O HETATM 8 C2 XTY A 1 -9.599 -12.253 -11.887 1.00 0.00 C HETATM 9 O2 XTY A 1 -10.138 -13.355 -11.822 1.00 0.00 O HETATM 10 N3 XTY A 1 -8.416 -12.073 -12.582 1.00 0.00 N HETATM 11 C4 XTY A 1 -7.756 -10.870 -12.705 1.00 0.00 C HETATM 12 O4 XTY A 1 -6.709 -10.793 -13.344 1.00 0.00 O HETATM 13 C5 XTY A 1 -8.321 -9.750 -12.083 1.00 0.00 C HETATM 14 C6 XTY A 1 -9.532 -9.900 -11.359 1.00 0.00 C HETATM 15 N XTY A 1 -10.166 -11.145 -11.264 1.00 0.00 N HETATM 16 CP XTY A 1 -7.687 -8.491 -12.178 1.00 0.00 C HETATM 17 CD XTY A 1 -9.462 -7.523 -10.832 1.00 0.00 C HETATM 18 C8 XTY A 1 -10.122 -8.777 -10.718 1.00 0.00 C HETATM 19 C7 XTY A 1 -8.262 -7.387 -11.552 1.00 0.00 C HETATM 20 C7A XTY A 1 -7.589 -6.021 -11.651 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.454 -8.759 -7.999 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -6.588 -6.076 -11.222 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -7.519 -5.725 -12.698 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -8.178 -5.285 -11.104 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -11.936 -5.871 -10.869 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -13.660 -5.688 -11.122 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -10.518 -7.376 -8.692 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -10.951 -8.847 -7.844 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.757 -8.384 -12.736 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -8.004 -12.888 -13.035 1.00 0.00 H new HETATM 0 HN XTY A 1 -11.037 -11.239 -10.742 1.00 0.00 H new HETATM 0 HD XTY A 1 -9.896 -6.647 -10.350 1.00 0.00 H new HETATM 0 H4' XTY A 1 -14.205 -7.536 -9.964 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.739 -6.809 -7.822 1.00 0.00 H new HETATM 0 H1' XTY A 1 -11.517 -9.994 -9.836 1.00 0.00 H new ATOM 37 P DG A 2 -14.049 -8.732 -6.501 1.00 0.00 P ATOM 38 OP1 DG A 2 -14.639 -7.395 -6.261 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.873 -9.946 -6.310 1.00 0.00 O ATOM 40 O5' DG A 2 -12.725 -8.868 -5.595 1.00 0.00 O ATOM 41 C5' DG A 2 -12.201 -10.156 -5.253 1.00 0.00 C ATOM 42 C4' DG A 2 -11.132 -10.063 -4.166 1.00 0.00 C ATOM 43 O4' DG A 2 -9.837 -10.146 -4.779 1.00 0.00 O ATOM 44 C3' DG A 2 -11.121 -8.753 -3.385 1.00 0.00 C ATOM 45 O3' DG A 2 -10.580 -9.041 -2.091 1.00 0.00 O ATOM 46 C2' DG A 2 -10.100 -7.898 -4.120 1.00 0.00 C ATOM 47 C1' DG A 2 -9.085 -8.941 -4.576 1.00 0.00 C ATOM 48 N9 DG A 2 -8.423 -8.580 -5.849 1.00 0.00 N ATOM 49 C8 DG A 2 -8.472 -7.395 -6.540 1.00 0.00 C ATOM 50 N7 DG A 2 -7.769 -7.398 -7.636 1.00 0.00 N ATOM 51 C5 DG A 2 -7.214 -8.671 -7.678 1.00 0.00 C ATOM 52 C6 DG A 2 -6.352 -9.257 -8.643 1.00 0.00 C ATOM 53 O6 DG A 2 -5.910 -8.753 -9.673 1.00 0.00 O ATOM 54 N1 DG A 2 -6.021 -10.562 -8.311 1.00 0.00 N ATOM 55 C2 DG A 2 -6.467 -11.227 -7.189 1.00 0.00 C ATOM 56 N2 DG A 2 -6.061 -12.487 -7.027 1.00 0.00 N ATOM 57 N3 DG A 2 -7.277 -10.684 -6.276 1.00 0.00 N ATOM 58 C4 DG A 2 -7.608 -9.406 -6.586 1.00 0.00 C ATOM 0 H5' DG A 2 -11.776 -10.623 -6.141 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.012 -10.799 -4.911 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.362 -10.876 -3.478 1.00 0.00 H new ATOM 0 H3' DG A 2 -12.101 -8.284 -3.299 1.00 0.00 H new ATOM 0 H2' DG A 2 -10.544 -7.365 -4.961 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.651 -7.148 -3.469 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.296 -9.035 -3.829 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.041 -6.540 -6.206 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.401 -11.067 -8.944 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.365 -13.020 -6.212 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.447 -12.918 -7.718 1.00 0.00 H new HETATM 70 P XTY A 3 -10.959 -8.133 -0.814 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.729 -8.969 0.135 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.529 -6.858 -1.302 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.322 -8.366 -0.721 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.074 -7.826 -0.028 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.080 -7.542 -1.020 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.272 -6.513 0.712 1.00 0.00 C HETATM 77 C2' XTY A 3 -6.971 -5.466 -0.344 1.00 0.00 C HETATM 78 C1' XTY A 3 -5.849 -6.127 -1.156 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.521 -7.822 -0.157 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.826 -8.468 -3.913 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.142 -9.412 -3.529 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.940 -8.169 -5.258 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.692 -7.124 -5.766 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.751 -6.918 -6.975 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.382 -6.315 -4.857 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.283 -6.600 -3.475 1.00 0.00 C HETATM 87 N XTY A 3 -4.514 -7.664 -3.005 1.00 0.00 N HETATM 88 CP XTY A 3 -6.165 -5.233 -5.317 1.00 0.00 C HETATM 89 CD XTY A 3 -6.749 -4.718 -3.013 1.00 0.00 C HETATM 90 C8 XTY A 3 -5.968 -5.804 -2.530 1.00 0.00 C HETATM 91 C7 XTY A 3 -6.844 -4.441 -4.390 1.00 0.00 C HETATM 92 C7A XTY A 3 -7.693 -3.266 -4.869 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.248 -6.428 1.707 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -7.064 -2.559 -5.409 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -8.479 -3.631 -5.530 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -8.143 -2.768 -4.010 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.280 -8.128 -1.784 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.342 -9.453 -0.639 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.844 -5.248 -0.960 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.650 -4.523 0.099 1.00 0.00 H new HETATM 0 HP XTY A 3 -6.238 -5.019 -6.383 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.436 -8.758 -5.921 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.455 -7.853 -2.004 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.285 -4.088 -2.303 1.00 0.00 H new HETATM 0 H4' XTY A 3 -6.797 -8.597 0.691 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.255 -6.405 1.170 1.00 0.00 H new HETATM 0 H1' XTY A 3 -4.869 -5.802 -0.808 1.00 0.00 H new ATOM 108 P DA A 4 -6.629 -6.402 3.271 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.695 -4.990 3.708 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.791 -7.296 3.482 1.00 0.00 O ATOM 111 O5' DA A 4 -5.342 -7.080 3.955 1.00 0.00 O ATOM 112 C5' DA A 4 -4.872 -8.362 3.524 1.00 0.00 C ATOM 113 C4' DA A 4 -3.359 -8.478 3.676 1.00 0.00 C ATOM 114 O4' DA A 4 -2.748 -8.115 2.430 1.00 0.00 O ATOM 115 C3' DA A 4 -2.753 -7.537 4.713 1.00 0.00 C ATOM 116 O3' DA A 4 -1.556 -8.148 5.199 1.00 0.00 O ATOM 117 C2' DA A 4 -2.335 -6.318 3.911 1.00 0.00 C ATOM 118 C1' DA A 4 -1.961 -6.923 2.560 1.00 0.00 C ATOM 119 N9 DA A 4 -2.283 -6.019 1.437 1.00 0.00 N ATOM 120 C8 DA A 4 -3.203 -4.999 1.392 1.00 0.00 C ATOM 121 N7 DA A 4 -3.217 -4.358 0.260 1.00 0.00 N ATOM 122 C5 DA A 4 -2.243 -4.996 -0.496 1.00 0.00 C ATOM 123 C6 DA A 4 -1.771 -4.788 -1.797 1.00 0.00 C ATOM 124 N6 DA A 4 -2.201 -3.800 -2.578 1.00 0.00 N ATOM 125 N1 DA A 4 -0.804 -5.599 -2.251 1.00 0.00 N ATOM 126 C2 DA A 4 -0.336 -6.551 -1.450 1.00 0.00 C ATOM 127 N3 DA A 4 -0.692 -6.845 -0.209 1.00 0.00 N ATOM 128 C4 DA A 4 -1.668 -6.013 0.208 1.00 0.00 C ATOM 0 H5' DA A 4 -5.148 -8.521 2.482 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.359 -9.145 4.106 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.175 -9.506 3.990 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.431 -7.309 5.535 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.145 -5.594 3.821 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.493 -5.799 4.370 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.888 -7.111 2.524 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.853 -4.753 2.219 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.823 -3.693 -3.519 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.908 -3.150 -2.235 1.00 0.00 H new ATOM 0 H2 DA A 4 0.443 -7.171 -1.870 1.00 0.00 H new HETATM 140 P XCS A 5 -0.960 -7.740 6.640 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.852 -6.724 7.246 1.00 0.00 O HETATM 142 C6 XCS A 5 -0.172 -3.062 2.359 1.00 0.00 C HETATM 143 C2 XCS A 5 0.587 -2.805 0.092 1.00 0.00 C HETATM 144 O2 XCS A 5 1.468 -2.964 -0.748 1.00 0.00 O HETATM 145 N3 XCS A 5 -0.606 -2.214 -0.238 1.00 0.00 N HETATM 146 C4 XCS A 5 -1.577 -2.036 0.673 1.00 0.00 C HETATM 147 N4 XCS A 5 -2.707 -1.453 0.271 1.00 0.00 N HETATM 148 C5 XCS A 5 -1.393 -2.461 2.025 1.00 0.00 C HETATM 149 OP1 XCS A 5 -0.646 -8.981 7.382 1.00 0.00 O HETATM 150 O5' XCS A 5 0.427 -7.020 6.248 1.00 0.00 O HETATM 151 C5' XCS A 5 1.143 -7.418 5.075 1.00 0.00 C HETATM 152 C4' XCS A 5 2.021 -6.293 4.535 1.00 0.00 C HETATM 153 O4' XCS A 5 1.253 -5.489 3.625 1.00 0.00 O HETATM 154 C1' XCS A 5 1.340 -4.100 3.960 1.00 0.00 C HETATM 155 ND XCS A 5 0.811 -3.234 1.402 1.00 0.00 N HETATM 156 CP XCS A 5 -2.407 -2.283 2.988 1.00 0.00 C HETATM 157 CD XCS A 5 -0.960 -3.318 4.643 1.00 0.00 C HETATM 158 C8 XCS A 5 0.076 -3.505 3.679 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.183 -2.714 4.294 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.270 -2.536 5.350 1.00 0.00 C HETATM 161 C2' XCS A 5 1.668 -4.094 5.456 1.00 0.00 C HETATM 162 C3' XCS A 5 2.549 -5.327 5.595 1.00 0.00 C HETATM 163 O3' XCS A 5 3.875 -4.957 5.211 1.00 0.00 O HETATM 0 HN42 XCS A 5 -3.467 -1.301 0.935 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -2.812 -1.159 -0.700 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.503 -1.477 5.458 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.166 -3.075 5.044 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -2.918 -2.929 6.304 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.763 -8.284 5.305 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.436 -7.728 4.306 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.189 -3.185 5.755 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.770 -4.163 6.070 1.00 0.00 H new HETATM 0 HP XCS A 5 -3.353 -1.815 2.715 1.00 0.00 H new HETATM 0 HND XCS A 5 1.697 -3.673 1.652 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.801 -3.649 5.669 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.870 -6.798 4.075 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.546 -5.745 6.602 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.090 -3.539 3.402 1.00 0.00 H new HETATM 179 P XGA A 6 5.143 -5.605 5.966 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.383 -6.950 5.396 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.940 -5.447 7.424 1.00 0.00 O HETATM 182 C5' XGA A 6 6.592 -4.345 4.145 1.00 0.00 C HETATM 183 O5' XGA A 6 6.356 -4.647 5.524 1.00 0.00 O HETATM 184 C4' XGA A 6 7.229 -2.969 3.975 1.00 0.00 C HETATM 185 O4' XGA A 6 6.213 -2.032 3.593 1.00 0.00 O HETATM 186 C3' XGA A 6 7.855 -2.396 5.244 1.00 0.00 C HETATM 187 C2' XGA A 6 6.781 -1.479 5.806 1.00 0.00 C HETATM 188 C1' XGA A 6 6.110 -0.962 4.539 1.00 0.00 C HETATM 189 N9 XGA A 6 4.712 -0.600 4.712 1.00 0.00 N HETATM 190 C8 XGA A 6 3.903 -0.919 5.777 1.00 0.00 C HETATM 191 N7 XGA A 6 2.685 -0.458 5.623 1.00 0.00 N HETATM 192 C4 XGA A 6 3.197 1.383 1.902 1.00 0.00 C HETATM 193 C5 XGA A 6 1.917 1.465 2.489 1.00 0.00 C HETATM 194 N3 XGA A 6 3.477 1.934 0.715 1.00 0.00 N HETATM 195 C2 XGA A 6 2.472 2.583 0.086 1.00 0.00 C HETATM 196 N2 XGA A 6 2.734 3.140 -1.120 1.00 0.00 N HETATM 197 N1 XGA A 6 1.223 2.708 0.577 1.00 0.00 N HETATM 198 C6 XGA A 6 0.912 2.146 1.800 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.229 2.239 2.253 1.00 0.00 O HETATM 200 C10 XGA A 6 3.951 0.119 3.816 1.00 0.00 C HETATM 201 C11 XGA A 6 2.694 0.187 4.416 1.00 0.00 C HETATM 202 CP XGA A 6 1.661 0.865 3.753 1.00 0.00 C HETATM 203 CD XGA A 6 4.219 0.707 2.567 1.00 0.00 C HETATM 204 O3' XGA A 6 8.945 -1.565 4.836 1.00 0.00 O HETATM 0 HN22 XGA A 6 1.999 3.637 -1.623 1.00 0.00 H new HETATM 0 HN21 XGA A 6 3.667 3.062 -1.526 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.243 -5.104 3.711 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.650 -4.381 3.597 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.082 -2.015 6.448 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.205 -0.671 6.402 1.00 0.00 H new HETATM 0 HP XGA A 6 0.670 0.932 4.202 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.512 3.214 0.049 1.00 0.00 H new HETATM 0 HD XGA A 6 5.213 0.635 2.125 1.00 0.00 H new HETATM 0 H8 XGA A 6 4.235 -1.487 6.646 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.015 -3.108 3.233 1.00 0.00 H new HETATM 0 H3' XGA A 6 8.189 -3.158 5.948 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.603 -0.043 4.221 1.00 0.00 H new ATOM 218 P DC A 7 10.367 -1.654 5.585 1.00 0.00 P ATOM 219 OP1 DC A 7 11.167 -2.717 4.937 1.00 0.00 O ATOM 220 OP2 DC A 7 10.121 -1.702 7.044 1.00 0.00 O ATOM 221 O5' DC A 7 11.037 -0.233 5.234 1.00 0.00 O ATOM 222 C5' DC A 7 10.998 0.285 3.900 1.00 0.00 C ATOM 223 C4' DC A 7 11.008 1.811 3.887 1.00 0.00 C ATOM 224 O4' DC A 7 9.669 2.288 3.664 1.00 0.00 O ATOM 225 C3' DC A 7 11.460 2.459 5.198 1.00 0.00 C ATOM 226 O3' DC A 7 12.163 3.658 4.861 1.00 0.00 O ATOM 227 C2' DC A 7 10.164 2.875 5.876 1.00 0.00 C ATOM 228 C1' DC A 7 9.285 3.222 4.676 1.00 0.00 C ATOM 229 N1 DC A 7 7.821 3.090 4.930 1.00 0.00 N ATOM 230 C2 DC A 7 6.958 3.715 4.031 1.00 0.00 C ATOM 231 O2 DC A 7 7.401 4.330 3.059 1.00 0.00 O ATOM 232 N3 DC A 7 5.616 3.630 4.244 1.00 0.00 N ATOM 233 C4 DC A 7 5.129 2.959 5.294 1.00 0.00 C ATOM 234 N4 DC A 7 3.807 2.919 5.449 1.00 0.00 N ATOM 235 C5 DC A 7 6.001 2.312 6.221 1.00 0.00 C ATOM 236 C6 DC A 7 7.327 2.399 6.008 1.00 0.00 C ATOM 0 H5' DC A 7 10.103 -0.077 3.395 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.854 -0.089 3.339 1.00 0.00 H new ATOM 0 H4' DC A 7 11.716 2.081 3.104 1.00 0.00 H new ATOM 0 H3' DC A 7 12.082 1.806 5.811 1.00 0.00 H new ATOM 0 H2' DC A 7 9.739 2.070 6.476 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.305 3.727 6.541 1.00 0.00 H new ATOM 0 H1' DC A 7 9.433 4.268 4.408 1.00 0.00 H new ATOM 0 H41 DC A 7 3.401 2.416 6.238 1.00 0.00 H new ATOM 0 H42 DC A 7 3.200 3.391 4.778 1.00 0.00 H new ATOM 0 H5 DC A 7 5.608 1.769 7.068 1.00 0.00 H new ATOM 0 H6 DC A 7 8.010 1.920 6.693 1.00 0.00 H new HETATM 248 P XAE A 8 13.380 4.174 5.784 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.628 3.543 5.302 1.00 0.00 O HETATM 250 OP2 XAE A 8 12.979 4.027 7.202 1.00 0.00 O HETATM 251 C5' XAE A 8 12.882 6.260 4.233 1.00 0.00 C HETATM 252 C4' XAE A 8 12.382 7.691 4.411 1.00 0.00 C HETATM 253 O4' XAE A 8 10.969 7.661 4.668 1.00 0.00 O HETATM 254 C3' XAE A 8 12.991 8.438 5.594 1.00 0.00 C HETATM 255 C2' XAE A 8 11.967 8.259 6.705 1.00 0.00 C HETATM 256 C1' XAE A 8 10.661 8.285 5.920 1.00 0.00 C HETATM 257 O5' XAE A 8 13.445 5.746 5.444 1.00 0.00 O HETATM 258 N9 XAE A 8 9.566 7.578 6.566 1.00 0.00 N HETATM 259 C8 XAE A 8 9.672 6.570 7.494 1.00 0.00 C HETATM 260 N7 XAE A 8 8.497 6.127 7.875 1.00 0.00 N HETATM 261 C5 XAE A 8 5.452 7.706 6.349 1.00 0.00 C HETATM 262 C4 XAE A 8 6.111 8.634 5.515 1.00 0.00 C HETATM 263 C6 XAE A 8 4.026 7.696 6.320 1.00 0.00 C HETATM 264 N6 XAE A 8 3.309 6.855 7.066 1.00 0.00 N HETATM 265 N1 XAE A 8 3.382 8.550 5.521 1.00 0.00 N HETATM 266 C2 XAE A 8 4.112 9.382 4.776 1.00 0.00 C HETATM 267 N3 XAE A 8 5.445 9.507 4.697 1.00 0.00 N HETATM 268 C10 XAE A 8 8.222 7.792 6.338 1.00 0.00 C HETATM 269 C11 XAE A 8 7.588 6.870 7.170 1.00 0.00 C HETATM 270 CP XAE A 8 6.186 6.820 7.181 1.00 0.00 C HETATM 271 CD XAE A 8 7.505 8.676 5.509 1.00 0.00 C HETATM 272 O3' XAE A 8 13.001 9.826 5.251 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.290 6.875 7.021 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.779 6.192 7.682 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.057 5.622 3.915 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.631 6.231 3.442 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 12.104 7.321 7.242 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 12.018 9.059 7.443 1.00 0.00 H new HETATM 0 HP XAE A 8 5.666 6.108 7.822 1.00 0.00 H new HETATM 0 HD XAE A 8 8.033 9.384 4.871 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.620 6.184 7.869 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.664 8.205 3.492 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.991 8.097 5.862 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.542 10.058 4.139 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.311 9.313 5.827 1.00 0.00 H new HETATM 286 P XGA A 9 14.097 10.824 5.879 1.00 0.00 P HETATM 287 OP1 XGA A 9 15.194 10.985 4.898 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.399 10.377 7.258 1.00 0.00 O HETATM 289 C5' XGA A 9 12.256 12.522 5.028 1.00 0.00 C HETATM 290 O5' XGA A 9 13.292 12.215 5.967 1.00 0.00 O HETATM 291 C4' XGA A 9 11.238 13.499 5.610 1.00 0.00 C HETATM 292 O4' XGA A 9 10.119 12.759 6.125 1.00 0.00 O HETATM 293 C3' XGA A 9 11.755 14.330 6.786 1.00 0.00 C HETATM 294 C2' XGA A 9 11.199 13.624 8.012 1.00 0.00 C HETATM 295 C1' XGA A 9 9.867 13.102 7.490 1.00 0.00 C HETATM 296 N9 XGA A 9 9.364 11.945 8.216 1.00 0.00 N HETATM 297 C8 XGA A 9 10.101 10.878 8.664 1.00 0.00 C HETATM 298 N7 XGA A 9 9.363 10.004 9.310 1.00 0.00 N HETATM 299 C4 XGA A 9 5.678 11.960 8.971 1.00 0.00 C HETATM 300 C5 XGA A 9 5.691 10.734 9.668 1.00 0.00 C HETATM 301 N3 XGA A 9 4.561 12.675 8.798 1.00 0.00 N HETATM 302 C2 XGA A 9 3.421 12.174 9.323 1.00 0.00 C HETATM 303 N2 XGA A 9 2.281 12.886 9.149 1.00 0.00 N HETATM 304 N1 XGA A 9 3.343 11.013 10.002 1.00 0.00 N HETATM 305 C6 XGA A 9 4.485 10.256 10.193 1.00 0.00 C HETATM 306 O6 XGA A 9 4.425 9.190 10.807 1.00 0.00 O HETATM 307 C10 XGA A 9 8.056 11.736 8.604 1.00 0.00 C HETATM 308 C11 XGA A 9 8.094 10.519 9.283 1.00 0.00 C HETATM 309 CP XGA A 9 6.902 10.005 9.824 1.00 0.00 C HETATM 310 CD XGA A 9 6.864 12.466 8.440 1.00 0.00 C HETATM 311 O3' XGA A 9 11.116 15.609 6.713 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.401 12.540 9.531 1.00 0.00 H new HETATM 0 HN21 XGA A 9 2.304 13.768 8.636 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.696 12.949 4.127 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.750 11.603 4.731 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.850 12.818 8.351 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 11.070 14.305 8.853 1.00 0.00 H new HETATM 0 HP XGA A 9 6.906 9.055 10.359 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.448 10.694 10.373 1.00 0.00 H new HETATM 0 HD XGA A 9 6.868 13.415 7.904 1.00 0.00 H new HETATM 0 H8 XGA A 9 11.173 10.768 8.503 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.989 14.172 4.790 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.840 14.438 6.798 1.00 0.00 H new HETATM 0 H1' XGA A 9 9.094 13.860 7.614 1.00 0.00 H new ATOM 325 P DT A 10 11.835 16.918 7.321 1.00 0.00 P ATOM 326 OP1 DT A 10 12.784 17.435 6.308 1.00 0.00 O ATOM 327 OP2 DT A 10 12.317 16.592 8.682 1.00 0.00 O ATOM 328 O5' DT A 10 10.622 17.971 7.456 1.00 0.00 O ATOM 329 C5' DT A 10 9.309 17.647 6.985 1.00 0.00 C ATOM 330 C4' DT A 10 8.223 18.356 7.792 1.00 0.00 C ATOM 331 O4' DT A 10 7.380 17.366 8.403 1.00 0.00 O ATOM 332 C3' DT A 10 8.738 19.229 8.945 1.00 0.00 C ATOM 333 O3' DT A 10 7.898 20.373 9.120 1.00 0.00 O ATOM 334 C2' DT A 10 8.627 18.296 10.143 1.00 0.00 C ATOM 335 C1' DT A 10 7.349 17.536 9.819 1.00 0.00 C ATOM 336 N1 DT A 10 7.280 16.202 10.464 1.00 0.00 N ATOM 337 C2 DT A 10 6.068 15.826 11.024 1.00 0.00 C ATOM 338 O2 DT A 10 5.072 16.548 10.998 1.00 0.00 O ATOM 339 N3 DT A 10 6.035 14.579 11.615 1.00 0.00 N ATOM 340 C4 DT A 10 7.083 13.686 11.699 1.00 0.00 C ATOM 341 O4 DT A 10 6.930 12.597 12.246 1.00 0.00 O ATOM 342 C5 DT A 10 8.306 14.154 11.094 1.00 0.00 C ATOM 343 C7 DT A 10 9.546 13.266 11.137 1.00 0.00 C ATOM 344 C6 DT A 10 8.371 15.367 10.506 1.00 0.00 C ATOM 0 H5' DT A 10 9.158 16.569 7.043 1.00 0.00 H new ATOM 0 H5'' DT A 10 9.221 17.926 5.935 1.00 0.00 H new ATOM 0 H4' DT A 10 7.715 19.002 7.076 1.00 0.00 H new ATOM 0 H3' DT A 10 9.745 19.615 8.785 1.00 0.00 H new ATOM 0 H2' DT A 10 9.488 17.633 10.228 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.552 18.843 11.083 1.00 0.00 H new ATOM 0 HO3' DT A 10 8.238 20.919 9.860 1.00 0.00 H new ATOM 0 H1' DT A 10 6.483 18.087 10.185 1.00 0.00 H new ATOM 0 H3 DT A 10 5.149 14.290 12.030 1.00 0.00 H new ATOM 0 H71 DT A 10 10.163 13.460 10.260 1.00 0.00 H new ATOM 0 H72 DT A 10 10.118 13.484 12.039 1.00 0.00 H new ATOM 0 H73 DT A 10 9.244 12.219 11.143 1.00 0.00 H new ATOM 0 H6 DT A 10 9.300 15.688 10.059 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -4.289 8.966 17.561 1.00 0.00 C HETATM 360 C4' XAE B 11 -4.451 10.049 16.498 1.00 0.00 C HETATM 361 O4' XAE B 11 -3.243 10.817 16.429 1.00 0.00 O HETATM 362 C3' XAE B 11 -4.677 9.529 15.081 1.00 0.00 C HETATM 363 C2' XAE B 11 -3.282 9.490 14.476 1.00 0.00 C HETATM 364 C1' XAE B 11 -2.597 10.667 15.157 1.00 0.00 C HETATM 365 O5' XAE B 11 -4.081 7.676 16.978 1.00 0.00 O HETATM 366 N9 XAE B 11 -1.176 10.451 15.358 1.00 0.00 N HETATM 367 C8 XAE B 11 -0.608 9.558 16.231 1.00 0.00 C HETATM 368 N7 XAE B 11 0.702 9.593 16.187 1.00 0.00 N HETATM 369 C5 XAE B 11 2.304 12.006 13.803 1.00 0.00 C HETATM 370 C4 XAE B 11 1.124 12.561 13.262 1.00 0.00 C HETATM 371 C6 XAE B 11 3.546 12.499 13.311 1.00 0.00 C HETATM 372 N6 XAE B 11 4.715 12.042 13.760 1.00 0.00 N HETATM 373 N1 XAE B 11 3.547 13.451 12.377 1.00 0.00 N HETATM 374 C2 XAE B 11 2.371 13.901 11.940 1.00 0.00 C HETATM 375 N3 XAE B 11 1.131 13.538 12.303 1.00 0.00 N HETATM 376 C10 XAE B 11 -0.153 11.104 14.706 1.00 0.00 C HETATM 377 C11 XAE B 11 1.003 10.543 15.248 1.00 0.00 C HETATM 378 CP XAE B 11 2.249 10.994 14.797 1.00 0.00 C HETATM 379 CD XAE B 11 -0.114 12.107 13.720 1.00 0.00 C HETATM 380 O3' XAE B 11 -5.413 10.534 14.377 1.00 0.00 O HETATM 0 HN62 XAE B 11 5.587 12.417 13.386 1.00 0.00 H new HETATM 0 HN61 XAE B 11 4.738 11.317 14.477 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -3.446 9.213 18.206 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -5.177 8.941 18.192 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -2.775 8.548 14.685 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -3.306 9.605 13.392 1.00 0.00 H new HETATM 0 HP XAE B 11 3.168 10.572 15.205 1.00 0.00 H new HETATM 0 HD XAE B 11 -1.038 12.524 13.319 1.00 0.00 H new HETATM 0 H8 XAE B 11 -1.178 8.897 16.884 1.00 0.00 H new HETATM 0 H4' XAE B 11 -5.331 10.614 16.806 1.00 0.00 H new HETATM 0 H3' XAE B 11 -5.196 8.571 15.045 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.424 14.677 11.176 1.00 0.00 H new HETATM 0 H1' XAE B 11 -2.683 11.554 14.530 1.00 0.00 H new ATOM 395 P DC B 12 -6.522 10.127 13.278 1.00 0.00 P ATOM 396 OP1 DC B 12 -6.324 8.703 12.924 1.00 0.00 O ATOM 397 OP2 DC B 12 -7.842 10.589 13.761 1.00 0.00 O ATOM 398 O5' DC B 12 -6.111 11.024 12.003 1.00 0.00 O ATOM 399 C5' DC B 12 -4.904 11.796 12.004 1.00 0.00 C ATOM 400 C4' DC B 12 -4.353 11.986 10.593 1.00 0.00 C ATOM 401 O4' DC B 12 -2.926 11.819 10.620 1.00 0.00 O ATOM 402 C3' DC B 12 -4.862 10.977 9.560 1.00 0.00 C ATOM 403 O3' DC B 12 -4.963 11.672 8.313 1.00 0.00 O ATOM 404 C2' DC B 12 -3.731 9.975 9.420 1.00 0.00 C ATOM 405 C1' DC B 12 -2.508 10.852 9.653 1.00 0.00 C ATOM 406 N1 DC B 12 -1.347 10.099 10.187 1.00 0.00 N ATOM 407 C2 DC B 12 -0.104 10.340 9.613 1.00 0.00 C ATOM 408 O2 DC B 12 0.016 11.171 8.713 1.00 0.00 O ATOM 409 N3 DC B 12 0.973 9.651 10.075 1.00 0.00 N ATOM 410 C4 DC B 12 0.846 8.760 11.064 1.00 0.00 C ATOM 411 N4 DC B 12 1.947 8.125 11.473 1.00 0.00 N ATOM 412 C5 DC B 12 -0.427 8.503 11.663 1.00 0.00 C ATOM 413 C6 DC B 12 -1.489 9.190 11.199 1.00 0.00 C ATOM 0 H5' DC B 12 -4.156 11.301 12.623 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.096 12.770 12.454 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.684 12.981 10.296 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.813 10.520 9.833 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.804 9.171 10.153 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.718 9.508 8.435 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.174 11.287 8.711 1.00 0.00 H new ATOM 0 H41 DC B 12 1.890 7.438 12.225 1.00 0.00 H new ATOM 0 H42 DC B 12 2.845 8.327 11.033 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.533 7.782 12.460 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.464 9.021 11.631 1.00 0.00 H new ATOM 425 P DT B 13 -6.320 11.613 7.447 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.112 12.827 7.745 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.927 10.274 7.622 1.00 0.00 O ATOM 428 O5' DT B 13 -5.776 11.724 5.936 1.00 0.00 O ATOM 429 C5' DT B 13 -4.751 12.665 5.597 1.00 0.00 C ATOM 430 C4' DT B 13 -3.942 12.210 4.385 1.00 0.00 C ATOM 431 O4' DT B 13 -2.668 11.718 4.829 1.00 0.00 O ATOM 432 C3' DT B 13 -4.568 11.064 3.586 1.00 0.00 C ATOM 433 O3' DT B 13 -4.259 11.294 2.210 1.00 0.00 O ATOM 434 C2' DT B 13 -3.787 9.832 4.020 1.00 0.00 C ATOM 435 C1' DT B 13 -2.407 10.425 4.278 1.00 0.00 C ATOM 436 N1 DT B 13 -1.593 9.643 5.246 1.00 0.00 N ATOM 437 C2 DT B 13 -0.216 9.656 5.072 1.00 0.00 C ATOM 438 O2 DT B 13 0.332 10.279 4.164 1.00 0.00 O ATOM 439 N3 DT B 13 0.519 8.920 5.985 1.00 0.00 N ATOM 440 C4 DT B 13 0.010 8.184 7.036 1.00 0.00 C ATOM 441 O4 DT B 13 0.766 7.572 7.788 1.00 0.00 O ATOM 442 C5 DT B 13 -1.429 8.223 7.143 1.00 0.00 C ATOM 443 C7 DT B 13 -2.123 7.432 8.250 1.00 0.00 C ATOM 444 C6 DT B 13 -2.172 8.934 6.271 1.00 0.00 C ATOM 0 H5' DT B 13 -4.085 12.799 6.449 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.202 13.635 5.389 1.00 0.00 H new ATOM 0 H4' DT B 13 -3.885 13.088 3.742 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.644 10.969 3.733 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.210 9.372 4.913 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.766 9.065 3.246 1.00 0.00 H new ATOM 0 H1' DT B 13 -1.830 10.436 3.353 1.00 0.00 H new ATOM 0 H3 DT B 13 1.533 8.922 5.870 1.00 0.00 H new ATOM 0 H71 DT B 13 -3.045 7.939 8.536 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.357 6.430 7.890 1.00 0.00 H new ATOM 0 H73 DT B 13 -1.464 7.362 9.115 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.246 8.947 6.381 1.00 0.00 H new HETATM 457 P XGA B 14 -5.268 10.805 1.054 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.369 11.788 0.951 1.00 0.00 O HETATM 459 OP2 XGA B 14 -5.575 9.375 1.284 1.00 0.00 O HETATM 460 C5' XGA B 14 -3.194 11.737 -0.307 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.367 10.916 -0.276 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.140 11.164 -1.249 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.224 10.357 -0.488 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.691 10.228 -2.319 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.629 8.866 -1.647 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.322 8.974 -0.864 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.287 8.131 0.321 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.339 7.880 1.166 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.006 7.066 2.138 1.00 0.00 N HETATM 470 C4 XGA B 14 2.004 6.456 1.097 1.00 0.00 C HETATM 471 C5 XGA B 14 1.524 5.788 2.244 1.00 0.00 C HETATM 472 N3 XGA B 14 3.272 6.331 0.677 1.00 0.00 N HETATM 473 C2 XGA B 14 4.088 5.529 1.404 1.00 0.00 C HETATM 474 N2 XGA B 14 5.376 5.394 1.000 1.00 0.00 N HETATM 475 N1 XGA B 14 3.705 4.858 2.508 1.00 0.00 N HETATM 476 C6 XGA B 14 2.403 4.973 2.958 1.00 0.00 C HETATM 477 O6 XGA B 14 2.039 4.362 3.960 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.197 7.421 0.792 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.687 6.771 1.925 1.00 0.00 C HETATM 480 CP XGA B 14 0.175 5.945 2.661 1.00 0.00 C HETATM 481 CD XGA B 14 1.140 7.278 0.364 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.751 10.215 -3.400 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.015 4.798 1.525 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.705 5.889 0.171 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.461 12.744 -0.627 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.780 11.821 0.698 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.485 8.691 -0.995 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.608 8.052 -2.371 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.188 5.426 3.548 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.371 4.269 3.008 1.00 0.00 H new HETATM 0 HD XGA B 14 1.495 7.800 -0.525 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.334 8.307 1.043 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.689 12.031 -1.732 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.681 10.501 -2.683 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.489 8.633 -1.479 1.00 0.00 H new ATOM 496 P DC B 15 -2.235 9.932 -4.914 1.00 0.00 P ATOM 497 OP1 DC B 15 -1.400 10.744 -5.827 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.710 10.053 -4.963 1.00 0.00 O ATOM 499 O5' DC B 15 -1.851 8.381 -5.128 1.00 0.00 O ATOM 500 C5' DC B 15 -0.816 7.770 -4.351 1.00 0.00 C ATOM 501 C4' DC B 15 -0.171 6.594 -5.074 1.00 0.00 C ATOM 502 O4' DC B 15 0.179 5.603 -4.102 1.00 0.00 O ATOM 503 C3' DC B 15 -1.067 5.875 -6.077 1.00 0.00 C ATOM 504 O3' DC B 15 -0.203 5.287 -7.050 1.00 0.00 O ATOM 505 C2' DC B 15 -1.683 4.734 -5.278 1.00 0.00 C ATOM 506 C1' DC B 15 -0.568 4.393 -4.290 1.00 0.00 C ATOM 507 N1 DC B 15 -1.073 3.953 -2.967 1.00 0.00 N ATOM 508 C2 DC B 15 -0.358 2.962 -2.308 1.00 0.00 C ATOM 509 O2 DC B 15 0.656 2.486 -2.816 1.00 0.00 O ATOM 510 N3 DC B 15 -0.792 2.546 -1.087 1.00 0.00 N ATOM 511 C4 DC B 15 -1.883 3.080 -0.527 1.00 0.00 C ATOM 512 N4 DC B 15 -2.242 2.639 0.678 1.00 0.00 N ATOM 513 C5 DC B 15 -2.628 4.100 -1.196 1.00 0.00 C ATOM 514 C6 DC B 15 -2.193 4.506 -2.404 1.00 0.00 C ATOM 0 H5' DC B 15 -1.230 7.428 -3.402 1.00 0.00 H new ATOM 0 H5'' DC B 15 -0.053 8.513 -4.117 1.00 0.00 H new ATOM 0 H4' DC B 15 0.670 7.024 -5.618 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.807 6.522 -6.547 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.598 5.040 -4.770 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.939 3.885 -5.912 1.00 0.00 H new ATOM 0 H1' DC B 15 0.020 3.569 -4.693 1.00 0.00 H new ATOM 0 H41 DC B 15 -3.068 3.023 1.136 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.690 1.917 1.142 1.00 0.00 H new ATOM 0 H5 DC B 15 -3.511 4.531 -0.747 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.733 5.276 -2.935 1.00 0.00 H new ATOM 526 P DG B 16 -0.693 5.064 -8.567 1.00 0.00 P ATOM 527 OP1 DG B 16 -0.126 6.147 -9.402 1.00 0.00 O ATOM 528 OP2 DG B 16 -2.155 4.827 -8.557 1.00 0.00 O ATOM 529 O5' DG B 16 0.039 3.687 -8.963 1.00 0.00 O ATOM 530 C5' DG B 16 1.323 3.368 -8.418 1.00 0.00 C ATOM 531 C4' DG B 16 1.557 1.863 -8.357 1.00 0.00 C ATOM 532 O4' DG B 16 1.190 1.383 -7.056 1.00 0.00 O ATOM 533 C3' DG B 16 0.733 1.042 -9.350 1.00 0.00 C ATOM 534 O3' DG B 16 1.558 -0.032 -9.802 1.00 0.00 O ATOM 535 C2' DG B 16 -0.385 0.430 -8.518 1.00 0.00 C ATOM 536 C1' DG B 16 0.267 0.296 -7.147 1.00 0.00 C ATOM 537 N9 DG B 16 -0.698 0.401 -6.029 1.00 0.00 N ATOM 538 C8 DG B 16 -2.025 0.761 -6.055 1.00 0.00 C ATOM 539 N7 DG B 16 -2.604 0.718 -4.887 1.00 0.00 N ATOM 540 C5 DG B 16 -1.594 0.305 -4.026 1.00 0.00 C ATOM 541 C6 DG B 16 -1.629 0.078 -2.622 1.00 0.00 C ATOM 542 O6 DG B 16 -2.581 0.192 -1.854 1.00 0.00 O ATOM 543 N1 DG B 16 -0.393 -0.327 -2.140 1.00 0.00 N ATOM 544 C2 DG B 16 0.738 -0.495 -2.909 1.00 0.00 C ATOM 545 N2 DG B 16 1.855 -0.865 -2.282 1.00 0.00 N ATOM 546 N3 DG B 16 0.778 -0.288 -4.227 1.00 0.00 N ATOM 547 C4 DG B 16 -0.422 0.111 -4.715 1.00 0.00 C ATOM 0 H5' DG B 16 1.407 3.789 -7.416 1.00 0.00 H new ATOM 0 H5'' DG B 16 2.100 3.832 -9.025 1.00 0.00 H new ATOM 0 H4' DG B 16 2.612 1.734 -8.599 1.00 0.00 H new ATOM 0 H3' DG B 16 0.368 1.632 -10.190 1.00 0.00 H new ATOM 0 H2' DG B 16 -1.267 1.070 -8.488 1.00 0.00 H new ATOM 0 H2'' DG B 16 -0.704 -0.535 -8.913 1.00 0.00 H new ATOM 0 H1' DG B 16 0.730 -0.687 -7.061 1.00 0.00 H new ATOM 0 H8 DG B 16 -2.540 1.052 -6.959 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.315 -0.515 -1.140 1.00 0.00 H new ATOM 0 H21 DG B 16 2.716 -1.001 -2.812 1.00 0.00 H new ATOM 0 H22 DG B 16 1.848 -1.012 -1.273 1.00 0.00 H new HETATM 559 P XTY B 17 1.559 -0.452 -11.357 1.00 0.00 P HETATM 560 OP1 XTY B 17 0.158 -0.444 -11.838 1.00 0.00 O HETATM 561 OP2 XTY B 17 2.582 0.356 -12.055 1.00 0.00 O HETATM 562 C5' XTY B 17 3.094 -2.380 -10.405 1.00 0.00 C HETATM 563 C4' XTY B 17 2.943 -3.844 -10.008 1.00 0.00 C HETATM 564 O4' XTY B 17 2.101 -3.928 -8.848 1.00 0.00 O HETATM 565 C3' XTY B 17 2.270 -4.722 -11.061 1.00 0.00 C HETATM 566 C2' XTY B 17 0.830 -4.827 -10.585 1.00 0.00 C HETATM 567 C1' XTY B 17 1.014 -4.832 -9.072 1.00 0.00 C HETATM 568 O5' XTY B 17 2.065 -1.977 -11.312 1.00 0.00 O HETATM 569 C2 XTY B 17 -0.152 -6.559 -5.457 1.00 0.00 C HETATM 570 O2 XTY B 17 0.496 -7.487 -4.980 1.00 0.00 O HETATM 571 N3 XTY B 17 -1.278 -6.069 -4.821 1.00 0.00 N HETATM 572 C4 XTY B 17 -2.055 -5.032 -5.297 1.00 0.00 C HETATM 573 O4 XTY B 17 -3.045 -4.658 -4.676 1.00 0.00 O HETATM 574 C5 XTY B 17 -1.680 -4.433 -6.501 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.530 -4.911 -7.179 1.00 0.00 C HETATM 576 N XTY B 17 0.228 -5.968 -6.658 1.00 0.00 N HETATM 577 CP XTY B 17 -2.442 -3.370 -7.029 1.00 0.00 C HETATM 578 CD XTY B 17 -0.916 -3.245 -8.916 1.00 0.00 C HETATM 579 C8 XTY B 17 -0.130 -4.320 -8.407 1.00 0.00 C HETATM 580 C7 XTY B 17 -2.055 -2.783 -8.232 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.877 -1.632 -8.808 1.00 0.00 C HETATM 582 O3' XTY B 17 2.849 -6.026 -10.951 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.897 -1.970 -8.991 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.891 -0.804 -8.099 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.431 -1.300 -9.745 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.061 -1.754 -9.513 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 4.069 -2.225 -10.867 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 0.223 -3.987 -10.922 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 0.344 -5.735 -10.943 1.00 0.00 H new HETATM 0 HP XTY B 17 -3.325 -3.011 -6.501 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -1.553 -6.503 -3.940 1.00 0.00 H new HETATM 0 HN XTY B 17 1.053 -6.302 -7.156 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.628 -2.771 -9.855 1.00 0.00 H new HETATM 0 H4' XTY B 17 3.960 -4.203 -9.852 1.00 0.00 H new HETATM 0 H3' XTY B 17 2.366 -4.340 -12.077 1.00 0.00 H new HETATM 0 H1' XTY B 17 1.184 -5.842 -8.699 1.00 0.00 H new ATOM 597 P DA B 18 3.932 -6.536 -12.029 1.00 0.00 P ATOM 598 OP1 DA B 18 5.012 -5.529 -12.115 1.00 0.00 O ATOM 599 OP2 DA B 18 3.207 -6.946 -13.253 1.00 0.00 O ATOM 600 O5' DA B 18 4.527 -7.859 -11.332 1.00 0.00 O ATOM 601 C5' DA B 18 5.217 -7.783 -10.080 1.00 0.00 C ATOM 602 C4' DA B 18 5.042 -9.062 -9.265 1.00 0.00 C ATOM 603 O4' DA B 18 3.863 -8.939 -8.458 1.00 0.00 O ATOM 604 C3' DA B 18 4.831 -10.322 -10.099 1.00 0.00 C ATOM 605 O3' DA B 18 5.340 -11.426 -9.347 1.00 0.00 O ATOM 606 C2' DA B 18 3.320 -10.482 -10.166 1.00 0.00 C ATOM 607 C1' DA B 18 2.862 -9.894 -8.834 1.00 0.00 C ATOM 608 N9 DA B 18 1.573 -9.189 -8.968 1.00 0.00 N ATOM 609 C8 DA B 18 1.185 -8.315 -9.952 1.00 0.00 C ATOM 610 N7 DA B 18 -0.033 -7.883 -9.818 1.00 0.00 N ATOM 611 C5 DA B 18 -0.485 -8.511 -8.667 1.00 0.00 C ATOM 612 C6 DA B 18 -1.707 -8.467 -7.990 1.00 0.00 C ATOM 613 N6 DA B 18 -2.741 -7.741 -8.395 1.00 0.00 N ATOM 614 N1 DA B 18 -1.836 -9.205 -6.879 1.00 0.00 N ATOM 615 C2 DA B 18 -0.810 -9.938 -6.472 1.00 0.00 C ATOM 616 N3 DA B 18 0.393 -10.069 -7.017 1.00 0.00 N ATOM 617 C4 DA B 18 0.484 -9.310 -8.133 1.00 0.00 C ATOM 0 H5' DA B 18 4.844 -6.933 -9.509 1.00 0.00 H new ATOM 0 H5'' DA B 18 6.278 -7.606 -10.258 1.00 0.00 H new ATOM 0 H4' DA B 18 5.967 -9.169 -8.699 1.00 0.00 H new ATOM 0 H3' DA B 18 5.306 -10.273 -11.079 1.00 0.00 H new ATOM 0 H2' DA B 18 2.893 -9.946 -11.014 1.00 0.00 H new ATOM 0 H2'' DA B 18 3.027 -11.527 -10.270 1.00 0.00 H new ATOM 0 H1' DA B 18 2.732 -10.689 -8.100 1.00 0.00 H new ATOM 0 H8 DA B 18 1.832 -8.014 -10.763 1.00 0.00 H new ATOM 0 H61 DA B 18 -3.609 -7.748 -7.860 1.00 0.00 H new ATOM 0 H62 DA B 18 -2.667 -7.176 -9.241 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.976 -10.509 -5.570 1.00 0.00 H new HETATM 629 P XCS B 19 5.785 -12.783 -10.092 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.893 -13.394 -9.324 1.00 0.00 O HETATM 631 C6 XCS B 19 -1.136 -12.192 -10.121 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.867 -12.252 -8.450 1.00 0.00 C HETATM 633 O2 XCS B 19 -3.370 -12.802 -7.474 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.416 -11.115 -8.984 1.00 0.00 N HETATM 635 C4 XCS B 19 -2.872 -10.507 -10.051 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.465 -9.404 -10.504 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.694 -11.032 -10.668 1.00 0.00 C HETATM 638 OP1 XCS B 19 5.960 -12.490 -11.533 1.00 0.00 O HETATM 639 O5' XCS B 19 4.479 -13.710 -9.921 1.00 0.00 O HETATM 640 C5' XCS B 19 3.747 -13.703 -8.692 1.00 0.00 C HETATM 641 C4' XCS B 19 2.443 -14.490 -8.793 1.00 0.00 C HETATM 642 O4' XCS B 19 1.343 -13.575 -8.960 1.00 0.00 O HETATM 643 C1' XCS B 19 0.537 -13.951 -10.084 1.00 0.00 C HETATM 644 ND XCS B 19 -1.715 -12.800 -9.021 1.00 0.00 N HETATM 645 CP XCS B 19 -1.113 -10.404 -11.791 1.00 0.00 C HETATM 646 CD XCS B 19 0.606 -12.124 -11.813 1.00 0.00 C HETATM 647 C8 XCS B 19 0.027 -12.768 -10.680 1.00 0.00 C HETATM 648 C7 XCS B 19 0.037 -10.956 -12.357 1.00 0.00 C HETATM 649 C7A XCS B 19 0.678 -10.294 -13.574 1.00 0.00 C HETATM 650 C2' XCS B 19 1.515 -14.689 -10.997 1.00 0.00 C HETATM 651 C3' XCS B 19 2.351 -15.448 -9.980 1.00 0.00 C HETATM 652 O3' XCS B 19 1.572 -16.565 -9.545 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.082 -8.914 -11.312 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.303 -9.049 -10.043 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.038 -10.273 -14.396 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.970 -9.275 -13.322 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 1.559 -10.861 -13.874 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 4.365 -14.127 -7.901 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 3.527 -12.674 -8.408 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 1.006 -15.357 -11.692 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 2.116 -14.004 -11.595 1.00 0.00 H new HETATM 0 HP XCS B 19 -1.556 -9.501 -12.210 1.00 0.00 H new HETATM 0 HND XCS B 19 -1.302 -13.646 -8.628 1.00 0.00 H new HETATM 0 HD XCS B 19 1.505 -12.543 -12.266 1.00 0.00 H new HETATM 0 H4' XCS B 19 2.409 -15.073 -7.873 1.00 0.00 H new HETATM 0 H3' XCS B 19 3.318 -15.771 -10.365 1.00 0.00 H new HETATM 0 H1' XCS B 19 -0.323 -14.576 -9.846 1.00 0.00 H new ATOM 668 P DA B 20 1.722 -18.007 -10.246 1.00 0.00 P ATOM 669 OP1 DA B 20 1.935 -17.802 -11.696 1.00 0.00 O ATOM 670 OP2 DA B 20 2.691 -18.805 -9.462 1.00 0.00 O ATOM 671 O5' DA B 20 0.258 -18.642 -10.036 1.00 0.00 O ATOM 672 C5' DA B 20 -0.535 -18.275 -8.901 1.00 0.00 C ATOM 673 C4' DA B 20 -2.001 -18.658 -9.081 1.00 0.00 C ATOM 674 O4' DA B 20 -2.743 -17.497 -9.487 1.00 0.00 O ATOM 675 C3' DA B 20 -2.266 -19.719 -10.157 1.00 0.00 C ATOM 676 O3' DA B 20 -3.320 -20.592 -9.748 1.00 0.00 O ATOM 677 C2' DA B 20 -2.701 -18.884 -11.356 1.00 0.00 C ATOM 678 C1' DA B 20 -3.469 -17.760 -10.686 1.00 0.00 C ATOM 679 N9 DA B 20 -3.523 -16.529 -11.502 1.00 0.00 N ATOM 680 C8 DA B 20 -2.497 -15.845 -12.106 1.00 0.00 C ATOM 681 N7 DA B 20 -2.889 -14.790 -12.765 1.00 0.00 N ATOM 682 C5 DA B 20 -4.268 -14.777 -12.582 1.00 0.00 C ATOM 683 C6 DA B 20 -5.281 -13.910 -13.027 1.00 0.00 C ATOM 684 N6 DA B 20 -5.053 -12.841 -13.788 1.00 0.00 N ATOM 685 N1 DA B 20 -6.545 -14.188 -12.665 1.00 0.00 N ATOM 686 C2 DA B 20 -6.778 -15.257 -11.911 1.00 0.00 C ATOM 687 N3 DA B 20 -5.919 -16.141 -11.432 1.00 0.00 N ATOM 688 C4 DA B 20 -4.663 -15.833 -11.814 1.00 0.00 C ATOM 0 H5' DA B 20 -0.458 -17.200 -8.737 1.00 0.00 H new ATOM 0 H5'' DA B 20 -0.140 -18.762 -8.010 1.00 0.00 H new ATOM 0 H4' DA B 20 -2.303 -19.067 -8.117 1.00 0.00 H new ATOM 0 H3' DA B 20 -1.405 -20.355 -10.361 1.00 0.00 H new ATOM 0 H2' DA B 20 -1.850 -18.514 -11.928 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.325 -19.452 -12.046 1.00 0.00 H new ATOM 0 HO3' DA B 20 -3.479 -21.262 -10.445 1.00 0.00 H new ATOM 0 H1' DA B 20 -4.506 -18.053 -10.524 1.00 0.00 H new ATOM 0 H8 DA B 20 -1.463 -16.152 -12.041 1.00 0.00 H new ATOM 0 H61 DA B 20 -5.830 -12.248 -14.080 1.00 0.00 H new ATOM 0 H62 DA B 20 -4.102 -12.615 -14.078 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.813 -15.428 -11.654 1.00 0.00 H new TER 701 DA B 20