USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 286 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 12:sc= 0.334 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.581 (180deg=-2.19!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.0558 (180deg=-0.283) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.00255) USER MOD Single : A 10 DT C7 :methyl -30:sc=-0.00176 (180deg=-1.65!) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 33:sc= 0.0603 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.604 -17.574 2.169 1.00 0.00 O ATOM 2 C5' DC A 1 -9.918 -17.783 3.406 1.00 0.00 C ATOM 3 C4' DC A 1 -8.432 -17.940 3.181 1.00 0.00 C ATOM 4 O4' DC A 1 -8.210 -18.496 1.870 1.00 0.00 O ATOM 5 C3' DC A 1 -7.633 -16.638 3.199 1.00 0.00 C ATOM 6 O3' DC A 1 -7.080 -16.416 4.500 1.00 0.00 O ATOM 7 C2' DC A 1 -6.524 -16.869 2.180 1.00 0.00 C ATOM 8 C1' DC A 1 -6.902 -18.156 1.450 1.00 0.00 C ATOM 9 N1 DC A 1 -6.914 -18.045 -0.019 1.00 0.00 N ATOM 10 C2 DC A 1 -5.944 -18.733 -0.757 1.00 0.00 C ATOM 11 O2 DC A 1 -5.098 -19.411 -0.154 1.00 0.00 O ATOM 12 N3 DC A 1 -5.952 -18.641 -2.106 1.00 0.00 N ATOM 13 C4 DC A 1 -6.876 -17.896 -2.718 1.00 0.00 C ATOM 14 N4 DC A 1 -6.845 -17.834 -4.050 1.00 0.00 N ATOM 15 C5 DC A 1 -7.872 -17.183 -1.991 1.00 0.00 C ATOM 16 C6 DC A 1 -7.856 -17.286 -0.656 1.00 0.00 C ATOM 0 H5' DC A 1 -10.311 -18.673 3.898 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.101 -16.942 4.074 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.095 -18.568 4.006 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.241 -15.765 2.964 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.448 -16.032 1.486 1.00 0.00 H new ATOM 0 H2'' DC A 1 -5.555 -16.966 2.670 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.998 -17.765 1.423 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.147 -18.903 1.695 1.00 0.00 H new ATOM 0 H41 DC A 1 -7.535 -17.275 -4.551 1.00 0.00 H new ATOM 0 H42 DC A 1 -6.131 -18.346 -4.568 1.00 0.00 H new ATOM 0 H5 DC A 1 -8.612 -16.582 -2.498 1.00 0.00 H new ATOM 0 H6 DC A 1 -8.599 -16.761 -0.073 1.00 0.00 H new ATOM 29 P DC A 2 -6.380 -15.010 4.844 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.882 -14.546 6.162 1.00 0.00 O ATOM 31 OP2 DC A 2 -6.520 -14.129 3.656 1.00 0.00 O ATOM 32 O5' DC A 2 -4.838 -15.378 4.997 1.00 0.00 O ATOM 33 C5' DC A 2 -4.430 -16.591 5.632 1.00 0.00 C ATOM 34 C4' DC A 2 -2.935 -16.766 5.508 1.00 0.00 C ATOM 35 O4' DC A 2 -2.645 -17.510 4.300 1.00 0.00 O ATOM 36 C3' DC A 2 -2.145 -15.466 5.380 1.00 0.00 C ATOM 37 O3' DC A 2 -1.718 -15.013 6.669 1.00 0.00 O ATOM 38 C2' DC A 2 -0.963 -15.875 4.524 1.00 0.00 C ATOM 39 C1' DC A 2 -1.602 -16.871 3.572 1.00 0.00 C ATOM 40 N1 DC A 2 -2.194 -16.267 2.366 1.00 0.00 N ATOM 41 C2 DC A 2 -1.515 -16.382 1.153 1.00 0.00 C ATOM 42 O2 DC A 2 -0.432 -16.985 1.126 1.00 0.00 O ATOM 43 N3 DC A 2 -2.051 -15.833 0.040 1.00 0.00 N ATOM 44 C4 DC A 2 -3.217 -15.188 0.110 1.00 0.00 C ATOM 45 N4 DC A 2 -3.709 -14.661 -1.010 1.00 0.00 N ATOM 46 C5 DC A 2 -3.933 -15.055 1.335 1.00 0.00 C ATOM 47 C6 DC A 2 -3.390 -15.605 2.427 1.00 0.00 C ATOM 0 H5' DC A 2 -4.942 -17.439 5.177 1.00 0.00 H new ATOM 0 H5'' DC A 2 -4.716 -16.574 6.684 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.635 -17.266 6.429 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.718 -14.644 4.951 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.527 -15.027 3.997 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.166 -16.327 5.115 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.821 -17.546 3.222 1.00 0.00 H new ATOM 0 H41 DC A 2 -4.598 -14.162 -0.991 1.00 0.00 H new ATOM 0 H42 DC A 2 -3.197 -14.757 -1.887 1.00 0.00 H new ATOM 0 H5 DC A 2 -4.876 -14.531 1.380 1.00 0.00 H new ATOM 0 H6 DC A 2 -3.905 -15.525 3.373 1.00 0.00 H new ATOM 59 P DT A 3 -1.825 -13.453 7.045 1.00 0.00 P ATOM 60 OP1 DT A 3 -2.276 -13.348 8.455 1.00 0.00 O ATOM 61 OP2 DT A 3 -2.596 -12.768 5.975 1.00 0.00 O ATOM 62 O5' DT A 3 -0.320 -12.936 6.965 1.00 0.00 O ATOM 63 C5' DT A 3 0.778 -13.849 7.013 1.00 0.00 C ATOM 64 C4' DT A 3 1.817 -13.466 5.986 1.00 0.00 C ATOM 65 O4' DT A 3 1.406 -13.941 4.687 1.00 0.00 O ATOM 66 C3' DT A 3 2.011 -11.966 5.803 1.00 0.00 C ATOM 67 O3' DT A 3 2.983 -11.478 6.736 1.00 0.00 O ATOM 68 C2' DT A 3 2.523 -11.863 4.376 1.00 0.00 C ATOM 69 C1' DT A 3 1.948 -13.097 3.678 1.00 0.00 C ATOM 70 N1 DT A 3 0.876 -12.808 2.704 1.00 0.00 N ATOM 71 C2 DT A 3 1.196 -12.818 1.365 1.00 0.00 C ATOM 72 O2 DT A 3 2.319 -13.050 0.952 1.00 0.00 O ATOM 73 N3 DT A 3 0.150 -12.548 0.524 1.00 0.00 N ATOM 74 C4 DT A 3 -1.153 -12.271 0.877 1.00 0.00 C ATOM 75 O4 DT A 3 -1.987 -12.046 0.004 1.00 0.00 O ATOM 76 C5 DT A 3 -1.420 -12.274 2.299 1.00 0.00 C ATOM 77 C7 DT A 3 -2.799 -11.948 2.781 1.00 0.00 C ATOM 78 C6 DT A 3 -0.406 -12.540 3.135 1.00 0.00 C ATOM 0 H5' DT A 3 0.426 -14.863 6.825 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.221 -13.845 8.009 1.00 0.00 H new ATOM 0 H4' DT A 3 2.742 -13.906 6.358 1.00 0.00 H new ATOM 0 H3' DT A 3 1.108 -11.380 5.974 1.00 0.00 H new ATOM 0 H2' DT A 3 2.187 -10.943 3.898 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.613 -11.859 4.344 1.00 0.00 H new ATOM 0 H1' DT A 3 2.762 -13.553 3.114 1.00 0.00 H new ATOM 0 H3 DT A 3 0.358 -12.552 -0.475 1.00 0.00 H new ATOM 0 H71 DT A 3 -3.276 -11.262 2.082 1.00 0.00 H new ATOM 0 H72 DT A 3 -3.387 -12.864 2.849 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.740 -11.481 3.764 1.00 0.00 H new ATOM 0 H6 DT A 3 -0.603 -12.545 4.197 1.00 0.00 H new ATOM 91 P DC A 4 2.611 -10.260 7.721 1.00 0.00 P ATOM 92 OP1 DC A 4 3.117 -10.618 9.071 1.00 0.00 O ATOM 93 OP2 DC A 4 1.178 -9.910 7.544 1.00 0.00 O ATOM 94 O5' DC A 4 3.484 -9.045 7.176 1.00 0.00 O ATOM 95 C5' DC A 4 4.887 -9.191 6.947 1.00 0.00 C ATOM 96 C4' DC A 4 5.255 -8.648 5.586 1.00 0.00 C ATOM 97 O4' DC A 4 4.281 -9.114 4.619 1.00 0.00 O ATOM 98 C3' DC A 4 5.263 -7.120 5.480 1.00 0.00 C ATOM 99 O3' DC A 4 6.407 -6.688 4.733 1.00 0.00 O ATOM 100 C2' DC A 4 3.975 -6.802 4.741 1.00 0.00 C ATOM 101 C1' DC A 4 3.797 -8.020 3.862 1.00 0.00 C ATOM 102 N1 DC A 4 2.404 -8.306 3.485 1.00 0.00 N ATOM 103 C2 DC A 4 2.041 -8.234 2.137 1.00 0.00 C ATOM 104 O2 DC A 4 2.904 -7.933 1.299 1.00 0.00 O ATOM 105 N3 DC A 4 0.764 -8.493 1.780 1.00 0.00 N ATOM 106 C4 DC A 4 -0.136 -8.814 2.713 1.00 0.00 C ATOM 107 N4 DC A 4 -1.384 -9.063 2.315 1.00 0.00 N ATOM 108 C5 DC A 4 0.205 -8.893 4.095 1.00 0.00 C ATOM 109 C6 DC A 4 1.475 -8.634 4.432 1.00 0.00 C ATOM 0 H5' DC A 4 5.166 -10.243 7.014 1.00 0.00 H new ATOM 0 H5'' DC A 4 5.446 -8.663 7.720 1.00 0.00 H new ATOM 0 H4' DC A 4 6.270 -9.001 5.403 1.00 0.00 H new ATOM 0 H3' DC A 4 5.320 -6.619 6.446 1.00 0.00 H new ATOM 0 H2' DC A 4 3.137 -6.668 5.425 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.058 -5.887 4.155 1.00 0.00 H new ATOM 0 H1' DC A 4 4.327 -7.844 2.926 1.00 0.00 H new ATOM 0 H41 DC A 4 -2.098 -9.311 3.000 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.625 -9.005 1.326 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.532 -9.152 4.841 1.00 0.00 H new ATOM 0 H6 DC A 4 1.770 -8.685 5.470 1.00 0.00 H new ATOM 121 P DT A 5 6.555 -5.141 4.316 1.00 0.00 P ATOM 122 OP1 DT A 5 8.000 -4.837 4.162 1.00 0.00 O ATOM 123 OP2 DT A 5 5.733 -4.333 5.254 1.00 0.00 O ATOM 124 O5' DT A 5 5.878 -5.070 2.875 1.00 0.00 O ATOM 125 C5' DT A 5 6.314 -5.926 1.817 1.00 0.00 C ATOM 126 C4' DT A 5 6.117 -5.250 0.481 1.00 0.00 C ATOM 127 O4' DT A 5 4.776 -5.537 0.014 1.00 0.00 O ATOM 128 C3' DT A 5 6.253 -3.727 0.501 1.00 0.00 C ATOM 129 O3' DT A 5 6.965 -3.271 -0.653 1.00 0.00 O ATOM 130 C2' DT A 5 4.819 -3.230 0.481 1.00 0.00 C ATOM 131 C1' DT A 5 4.054 -4.341 -0.215 1.00 0.00 C ATOM 132 N1 DT A 5 2.681 -4.540 0.289 1.00 0.00 N ATOM 133 C2 DT A 5 1.657 -4.646 -0.625 1.00 0.00 C ATOM 134 O2 DT A 5 1.828 -4.578 -1.831 1.00 0.00 O ATOM 135 N3 DT A 5 0.418 -4.834 -0.075 1.00 0.00 N ATOM 136 C4 DT A 5 0.105 -4.918 1.266 1.00 0.00 C ATOM 137 O4 DT A 5 -1.059 -5.094 1.611 1.00 0.00 O ATOM 138 C5 DT A 5 1.224 -4.791 2.171 1.00 0.00 C ATOM 139 C7 DT A 5 0.971 -4.827 3.645 1.00 0.00 C ATOM 140 C6 DT A 5 2.445 -4.615 1.647 1.00 0.00 C ATOM 0 H5' DT A 5 5.756 -6.862 1.844 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.366 -6.177 1.953 1.00 0.00 H new ATOM 0 H4' DT A 5 6.906 -5.641 -0.162 1.00 0.00 H new ATOM 0 H3' DT A 5 6.809 -3.364 1.365 1.00 0.00 H new ATOM 0 H2' DT A 5 4.443 -3.057 1.489 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.731 -2.287 -0.058 1.00 0.00 H new ATOM 0 H1' DT A 5 3.962 -4.070 -1.267 1.00 0.00 H new ATOM 0 H3 DT A 5 -0.360 -4.922 -0.729 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.021 -4.427 3.854 1.00 0.00 H new ATOM 0 H72 DT A 5 1.029 -5.856 3.999 1.00 0.00 H new ATOM 0 H73 DT A 5 1.721 -4.224 4.158 1.00 0.00 H new ATOM 0 H6 DT A 5 3.285 -4.528 2.320 1.00 0.00 H new ATOM 153 P DG A 6 7.631 -1.808 -0.650 1.00 0.00 P ATOM 154 OP1 DG A 6 9.102 -1.960 -0.517 1.00 0.00 O ATOM 155 OP2 DG A 6 6.886 -0.979 0.334 1.00 0.00 O ATOM 156 O5' DG A 6 7.311 -1.234 -2.101 1.00 0.00 O ATOM 157 C5' DG A 6 7.959 -1.760 -3.261 1.00 0.00 C ATOM 158 C4' DG A 6 7.087 -1.563 -4.478 1.00 0.00 C ATOM 159 O4' DG A 6 5.934 -2.434 -4.381 1.00 0.00 O ATOM 160 C3' DG A 6 6.509 -0.160 -4.641 1.00 0.00 C ATOM 161 O3' DG A 6 7.391 0.678 -5.399 1.00 0.00 O ATOM 162 C2' DG A 6 5.223 -0.429 -5.398 1.00 0.00 C ATOM 163 C1' DG A 6 4.759 -1.726 -4.763 1.00 0.00 C ATOM 164 N9 DG A 6 3.946 -1.515 -3.571 1.00 0.00 N ATOM 165 C8 DG A 6 4.392 -1.148 -2.328 1.00 0.00 C ATOM 166 N7 DG A 6 3.432 -0.992 -1.459 1.00 0.00 N ATOM 167 C5 DG A 6 2.280 -1.301 -2.171 1.00 0.00 C ATOM 168 C6 DG A 6 0.923 -1.317 -1.759 1.00 0.00 C ATOM 169 O6 DG A 6 0.457 -1.082 -0.641 1.00 0.00 O ATOM 170 N1 DG A 6 0.073 -1.657 -2.806 1.00 0.00 N ATOM 171 C2 DG A 6 0.480 -1.960 -4.085 1.00 0.00 C ATOM 172 N2 DG A 6 -0.480 -2.271 -4.969 1.00 0.00 N ATOM 173 N3 DG A 6 1.742 -1.960 -4.476 1.00 0.00 N ATOM 174 C4 DG A 6 2.581 -1.620 -3.477 1.00 0.00 C ATOM 0 H5' DG A 6 8.167 -2.821 -3.121 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.918 -1.264 -3.407 1.00 0.00 H new ATOM 0 H4' DG A 6 7.745 -1.770 -5.322 1.00 0.00 H new ATOM 0 H3' DG A 6 6.360 0.365 -3.697 1.00 0.00 H new ATOM 0 H2' DG A 6 4.496 0.373 -5.269 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.393 -0.535 -6.469 1.00 0.00 H new ATOM 0 H1' DG A 6 4.142 -2.267 -5.481 1.00 0.00 H new ATOM 0 H8 DG A 6 5.436 -1.002 -2.091 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.928 -1.684 -2.611 1.00 0.00 H new ATOM 0 H21 DG A 6 -0.232 -2.504 -5.931 1.00 0.00 H new ATOM 0 H22 DG A 6 -1.458 -2.275 -4.679 1.00 0.00 H new ATOM 186 P DG A 7 7.771 2.144 -4.849 1.00 0.00 P ATOM 187 OP1 DG A 7 9.012 2.568 -5.544 1.00 0.00 O ATOM 188 OP2 DG A 7 7.735 2.117 -3.364 1.00 0.00 O ATOM 189 O5' DG A 7 6.580 3.078 -5.353 1.00 0.00 O ATOM 190 C5' DG A 7 5.735 2.666 -6.427 1.00 0.00 C ATOM 191 C4' DG A 7 4.519 3.558 -6.521 1.00 0.00 C ATOM 192 O4' DG A 7 3.449 2.937 -5.770 1.00 0.00 O ATOM 193 C3' DG A 7 4.679 4.971 -5.953 1.00 0.00 C ATOM 194 O3' DG A 7 4.022 5.918 -6.806 1.00 0.00 O ATOM 195 C2' DG A 7 3.996 4.893 -4.599 1.00 0.00 C ATOM 196 C1' DG A 7 2.925 3.845 -4.823 1.00 0.00 C ATOM 197 N9 DG A 7 2.572 3.095 -3.624 1.00 0.00 N ATOM 198 C8 DG A 7 3.404 2.319 -2.858 1.00 0.00 C ATOM 199 N7 DG A 7 2.809 1.801 -1.815 1.00 0.00 N ATOM 200 C5 DG A 7 1.500 2.258 -1.911 1.00 0.00 C ATOM 201 C6 DG A 7 0.381 2.031 -1.069 1.00 0.00 C ATOM 202 O6 DG A 7 0.325 1.373 -0.025 1.00 0.00 O ATOM 203 N1 DG A 7 -0.758 2.672 -1.548 1.00 0.00 N ATOM 204 C2 DG A 7 -0.810 3.440 -2.684 1.00 0.00 C ATOM 205 N2 DG A 7 -1.994 3.981 -2.983 1.00 0.00 N ATOM 206 N3 DG A 7 0.225 3.664 -3.471 1.00 0.00 N ATOM 207 C4 DG A 7 1.338 3.047 -3.029 1.00 0.00 C ATOM 0 H5' DG A 7 5.423 1.633 -6.276 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.289 2.698 -7.365 1.00 0.00 H new ATOM 0 H4' DG A 7 4.328 3.666 -7.589 1.00 0.00 H new ATOM 0 H3' DG A 7 5.718 5.293 -5.877 1.00 0.00 H new ATOM 0 H2' DG A 7 4.691 4.600 -3.812 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.569 5.852 -4.306 1.00 0.00 H new ATOM 0 H1' DG A 7 2.016 4.351 -5.149 1.00 0.00 H new ATOM 0 H8 DG A 7 4.445 2.153 -3.092 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.620 2.562 -1.014 1.00 0.00 H new ATOM 0 H21 DG A 7 -2.094 4.562 -3.816 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.798 3.813 -2.379 1.00 0.00 H new ATOM 219 P DT A 8 3.942 7.469 -6.378 1.00 0.00 P ATOM 220 OP1 DT A 8 4.068 8.271 -7.621 1.00 0.00 O ATOM 221 OP2 DT A 8 4.883 7.707 -5.253 1.00 0.00 O ATOM 222 O5' DT A 8 2.455 7.643 -5.828 1.00 0.00 O ATOM 223 C5' DT A 8 1.374 6.890 -6.380 1.00 0.00 C ATOM 224 C4' DT A 8 0.070 7.295 -5.733 1.00 0.00 C ATOM 225 O4' DT A 8 -0.138 6.475 -4.566 1.00 0.00 O ATOM 226 C3' DT A 8 0.016 8.740 -5.237 1.00 0.00 C ATOM 227 O3' DT A 8 -0.713 9.550 -6.162 1.00 0.00 O ATOM 228 C2' DT A 8 -0.729 8.662 -3.910 1.00 0.00 C ATOM 229 C1' DT A 8 -0.947 7.177 -3.647 1.00 0.00 C ATOM 230 N1 DT A 8 -0.568 6.743 -2.290 1.00 0.00 N ATOM 231 C2 DT A 8 -1.572 6.486 -1.384 1.00 0.00 C ATOM 232 O2 DT A 8 -2.756 6.591 -1.654 1.00 0.00 O ATOM 233 N3 DT A 8 -1.139 6.101 -0.145 1.00 0.00 N ATOM 234 C4 DT A 8 0.166 5.948 0.273 1.00 0.00 C ATOM 235 O4 DT A 8 0.400 5.587 1.421 1.00 0.00 O ATOM 236 C5 DT A 8 1.173 6.231 -0.726 1.00 0.00 C ATOM 237 C7 DT A 8 2.618 6.083 -0.349 1.00 0.00 C ATOM 238 C6 DT A 8 0.764 6.607 -1.950 1.00 0.00 C ATOM 0 H5' DT A 8 1.548 5.825 -6.227 1.00 0.00 H new ATOM 0 H5'' DT A 8 1.320 7.053 -7.456 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.684 7.176 -6.511 1.00 0.00 H new ATOM 0 H3' DT A 8 1.007 9.182 -5.133 1.00 0.00 H new ATOM 0 H2' DT A 8 -0.150 9.121 -3.108 1.00 0.00 H new ATOM 0 H2'' DT A 8 -1.679 9.194 -3.962 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.013 6.977 -3.753 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.862 5.905 0.547 1.00 0.00 H new ATOM 0 H71 DT A 8 2.740 6.292 0.714 1.00 0.00 H new ATOM 0 H72 DT A 8 2.946 5.065 -0.558 1.00 0.00 H new ATOM 0 H73 DT A 8 3.219 6.784 -0.928 1.00 0.00 H new ATOM 0 H6 DT A 8 1.511 6.812 -2.702 1.00 0.00 H new ATOM 251 P DC A 9 -0.277 11.078 -6.401 1.00 0.00 P ATOM 252 OP1 DC A 9 0.256 11.178 -7.783 1.00 0.00 O ATOM 253 OP2 DC A 9 0.567 11.511 -5.257 1.00 0.00 O ATOM 254 O5' DC A 9 -1.647 11.886 -6.336 1.00 0.00 O ATOM 255 C5' DC A 9 -2.904 11.212 -6.428 1.00 0.00 C ATOM 256 C4' DC A 9 -3.801 11.638 -5.291 1.00 0.00 C ATOM 257 O4' DC A 9 -3.571 10.790 -4.149 1.00 0.00 O ATOM 258 C3' DC A 9 -3.544 13.049 -4.778 1.00 0.00 C ATOM 259 O3' DC A 9 -4.311 13.992 -5.537 1.00 0.00 O ATOM 260 C2' DC A 9 -4.024 12.980 -3.337 1.00 0.00 C ATOM 261 C1' DC A 9 -3.919 11.497 -2.967 1.00 0.00 C ATOM 262 N1 DC A 9 -2.908 11.183 -1.940 1.00 0.00 N ATOM 263 C2 DC A 9 -3.342 10.798 -0.672 1.00 0.00 C ATOM 264 O2 DC A 9 -4.559 10.746 -0.449 1.00 0.00 O ATOM 265 N3 DC A 9 -2.430 10.493 0.280 1.00 0.00 N ATOM 266 C4 DC A 9 -1.128 10.566 0.002 1.00 0.00 C ATOM 267 N4 DC A 9 -0.266 10.262 0.974 1.00 0.00 N ATOM 268 C5 DC A 9 -0.652 10.956 -1.283 1.00 0.00 C ATOM 269 C6 DC A 9 -1.570 11.258 -2.216 1.00 0.00 C ATOM 0 H5' DC A 9 -2.751 10.133 -6.397 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.379 11.439 -7.382 1.00 0.00 H new ATOM 0 H4' DC A 9 -4.809 11.577 -5.702 1.00 0.00 H new ATOM 0 H3' DC A 9 -2.505 13.369 -4.861 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.407 13.597 -2.683 1.00 0.00 H new ATOM 0 H2'' DC A 9 -5.048 13.341 -3.242 1.00 0.00 H new ATOM 0 H1' DC A 9 -4.882 11.209 -2.545 1.00 0.00 H new ATOM 0 H41 DC A 9 0.738 10.307 0.798 1.00 0.00 H new ATOM 0 H42 DC A 9 -0.611 9.985 1.893 1.00 0.00 H new ATOM 0 H5 DC A 9 0.405 11.007 -1.498 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.247 11.565 -3.200 1.00 0.00 H new ATOM 281 P DT A 10 -3.565 15.187 -6.315 1.00 0.00 P ATOM 282 OP1 DT A 10 -3.797 14.978 -7.767 1.00 0.00 O ATOM 283 OP2 DT A 10 -2.176 15.304 -5.803 1.00 0.00 O ATOM 284 O5' DT A 10 -4.365 16.494 -5.877 1.00 0.00 O ATOM 285 C5' DT A 10 -5.696 16.411 -5.367 1.00 0.00 C ATOM 286 C4' DT A 10 -5.792 17.141 -4.047 1.00 0.00 C ATOM 287 O4' DT A 10 -5.564 16.202 -2.974 1.00 0.00 O ATOM 288 C3' DT A 10 -4.750 18.233 -3.840 1.00 0.00 C ATOM 289 O3' DT A 10 -5.222 19.497 -4.315 1.00 0.00 O ATOM 290 C2' DT A 10 -4.585 18.271 -2.333 1.00 0.00 C ATOM 291 C1' DT A 10 -4.927 16.858 -1.884 1.00 0.00 C ATOM 292 N1 DT A 10 -3.736 16.084 -1.509 1.00 0.00 N ATOM 293 C2 DT A 10 -3.696 15.508 -0.264 1.00 0.00 C ATOM 294 O2 DT A 10 -4.614 15.587 0.533 1.00 0.00 O ATOM 295 N3 DT A 10 -2.541 14.832 0.015 1.00 0.00 N ATOM 296 C4 DT A 10 -1.454 14.659 -0.813 1.00 0.00 C ATOM 297 O4 DT A 10 -0.489 14.006 -0.424 1.00 0.00 O ATOM 298 C5 DT A 10 -1.567 15.280 -2.115 1.00 0.00 C ATOM 299 C7 DT A 10 -0.463 15.096 -3.109 1.00 0.00 C ATOM 300 C6 DT A 10 -2.687 15.963 -2.395 1.00 0.00 C ATOM 0 H5' DT A 10 -5.979 15.367 -5.235 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.396 16.843 -6.082 1.00 0.00 H new ATOM 0 H4' DT A 10 -6.782 17.597 -4.053 1.00 0.00 H new ATOM 0 H3' DT A 10 -3.823 18.036 -4.379 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.568 18.543 -2.051 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.250 19.005 -1.878 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.568 16.923 -1.005 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.477 14.408 0.940 1.00 0.00 H new ATOM 0 H71 DT A 10 0.484 14.974 -2.583 1.00 0.00 H new ATOM 0 H72 DT A 10 -0.660 14.210 -3.712 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.408 15.971 -3.757 1.00 0.00 H new ATOM 0 H6 DT A 10 -2.771 16.441 -3.360 1.00 0.00 H new ATOM 313 P DC A 11 -4.291 20.800 -4.169 1.00 0.00 P ATOM 314 OP1 DC A 11 -4.924 21.893 -4.948 1.00 0.00 O ATOM 315 OP2 DC A 11 -2.888 20.406 -4.463 1.00 0.00 O ATOM 316 O5' DC A 11 -4.383 21.173 -2.621 1.00 0.00 O ATOM 317 C5' DC A 11 -5.585 21.709 -2.065 1.00 0.00 C ATOM 318 C4' DC A 11 -5.488 21.777 -0.558 1.00 0.00 C ATOM 319 O4' DC A 11 -4.748 20.630 -0.072 1.00 0.00 O ATOM 320 C3' DC A 11 -4.771 23.011 -0.007 1.00 0.00 C ATOM 321 O3' DC A 11 -5.476 23.498 1.140 1.00 0.00 O ATOM 322 C2' DC A 11 -3.390 22.496 0.363 1.00 0.00 C ATOM 323 C1' DC A 11 -3.643 21.042 0.716 1.00 0.00 C ATOM 324 N1 DC A 11 -2.528 20.125 0.422 1.00 0.00 N ATOM 325 C2 DC A 11 -2.071 19.263 1.428 1.00 0.00 C ATOM 326 O2 DC A 11 -2.585 19.326 2.554 1.00 0.00 O ATOM 327 N3 DC A 11 -1.082 18.384 1.147 1.00 0.00 N ATOM 328 C4 DC A 11 -0.552 18.345 -0.078 1.00 0.00 C ATOM 329 N4 DC A 11 0.420 17.452 -0.303 1.00 0.00 N ATOM 330 C5 DC A 11 -0.991 19.224 -1.119 1.00 0.00 C ATOM 331 C6 DC A 11 -1.963 20.095 -0.821 1.00 0.00 C ATOM 0 H5' DC A 11 -6.434 21.089 -2.353 1.00 0.00 H new ATOM 0 H5'' DC A 11 -5.767 22.705 -2.469 1.00 0.00 H new ATOM 0 H4' DC A 11 -6.523 21.811 -0.217 1.00 0.00 H new ATOM 0 H3' DC A 11 -4.717 23.841 -0.712 1.00 0.00 H new ATOM 0 H2' DC A 11 -2.689 22.593 -0.466 1.00 0.00 H new ATOM 0 H2'' DC A 11 -2.967 23.046 1.203 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.801 20.993 1.793 1.00 0.00 H new ATOM 0 H41 DC A 11 0.852 17.389 -1.225 1.00 0.00 H new ATOM 0 H42 DC A 11 0.729 16.834 0.448 1.00 0.00 H new ATOM 0 H5 DC A 11 -0.555 19.186 -2.106 1.00 0.00 H new ATOM 0 H6 DC A 11 -2.306 20.786 -1.577 1.00 0.00 H new ATOM 343 P DC A 12 -5.358 25.046 1.557 1.00 0.00 P ATOM 344 OP1 DC A 12 -6.587 25.748 1.107 1.00 0.00 O ATOM 345 OP2 DC A 12 -4.028 25.534 1.108 1.00 0.00 O ATOM 346 O5' DC A 12 -5.353 25.012 3.150 1.00 0.00 O ATOM 347 C5' DC A 12 -6.321 24.245 3.871 1.00 0.00 C ATOM 348 C4' DC A 12 -5.633 23.330 4.857 1.00 0.00 C ATOM 349 O4' DC A 12 -4.377 22.902 4.282 1.00 0.00 O ATOM 350 C3' DC A 12 -5.297 23.969 6.209 1.00 0.00 C ATOM 351 O3' DC A 12 -5.745 23.133 7.278 1.00 0.00 O ATOM 352 C2' DC A 12 -3.780 24.063 6.212 1.00 0.00 C ATOM 353 C1' DC A 12 -3.373 22.951 5.269 1.00 0.00 C ATOM 354 N1 DC A 12 -2.084 23.165 4.593 1.00 0.00 N ATOM 355 C2 DC A 12 -0.950 22.504 5.071 1.00 0.00 C ATOM 356 O2 DC A 12 -1.063 21.746 6.045 1.00 0.00 O ATOM 357 N3 DC A 12 0.240 22.708 4.460 1.00 0.00 N ATOM 358 C4 DC A 12 0.319 23.530 3.411 1.00 0.00 C ATOM 359 N4 DC A 12 1.509 23.705 2.840 1.00 0.00 N ATOM 360 C5 DC A 12 -0.823 24.212 2.902 1.00 0.00 C ATOM 361 C6 DC A 12 -1.992 24.002 3.517 1.00 0.00 C ATOM 0 H5' DC A 12 -6.921 23.657 3.176 1.00 0.00 H new ATOM 0 H5'' DC A 12 -7.004 24.911 4.398 1.00 0.00 H new ATOM 0 H4' DC A 12 -6.338 22.520 5.044 1.00 0.00 H new ATOM 0 H3' DC A 12 -5.777 24.938 6.345 1.00 0.00 H new ATOM 0 H2' DC A 12 -3.434 25.036 5.863 1.00 0.00 H new ATOM 0 H2'' DC A 12 -3.368 23.918 7.211 1.00 0.00 H new ATOM 0 HO3' DC A 12 -5.523 23.552 8.136 1.00 0.00 H new ATOM 0 H1' DC A 12 -3.259 22.036 5.850 1.00 0.00 H new ATOM 0 H41 DC A 12 1.603 24.327 2.037 1.00 0.00 H new ATOM 0 H42 DC A 12 2.327 23.217 3.206 1.00 0.00 H new ATOM 0 H5 DC A 12 -0.748 24.874 2.052 1.00 0.00 H new ATOM 0 H6 DC A 12 -2.879 24.503 3.157 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 9.959 19.015 7.625 1.00 0.00 O ATOM 376 C5' DG B 13 9.418 18.670 8.902 1.00 0.00 C ATOM 377 C4' DG B 13 8.136 17.885 8.752 1.00 0.00 C ATOM 378 O4' DG B 13 7.239 18.611 7.872 1.00 0.00 O ATOM 379 C3' DG B 13 8.296 16.498 8.123 1.00 0.00 C ATOM 380 O3' DG B 13 7.376 15.580 8.726 1.00 0.00 O ATOM 381 C2' DG B 13 7.948 16.745 6.667 1.00 0.00 C ATOM 382 C1' DG B 13 6.840 17.767 6.806 1.00 0.00 C ATOM 383 N9 DG B 13 6.617 18.597 5.627 1.00 0.00 N ATOM 384 C8 DG B 13 7.557 19.033 4.725 1.00 0.00 C ATOM 385 N7 DG B 13 7.052 19.754 3.763 1.00 0.00 N ATOM 386 C5 DG B 13 5.694 19.801 4.048 1.00 0.00 C ATOM 387 C6 DG B 13 4.633 20.442 3.358 1.00 0.00 C ATOM 388 O6 DG B 13 4.686 21.117 2.325 1.00 0.00 O ATOM 389 N1 DG B 13 3.411 20.237 3.990 1.00 0.00 N ATOM 390 C2 DG B 13 3.232 19.503 5.146 1.00 0.00 C ATOM 391 N2 DG B 13 1.979 19.400 5.624 1.00 0.00 N ATOM 392 N3 DG B 13 4.216 18.904 5.795 1.00 0.00 N ATOM 393 C4 DG B 13 5.409 19.093 5.195 1.00 0.00 C ATOM 0 H5' DG B 13 9.229 19.576 9.478 1.00 0.00 H new ATOM 0 H5'' DG B 13 10.145 18.082 9.462 1.00 0.00 H new ATOM 0 H4' DG B 13 7.765 17.759 9.769 1.00 0.00 H new ATOM 0 H3' DG B 13 9.287 16.064 8.253 1.00 0.00 H new ATOM 0 H2' DG B 13 8.795 17.130 6.100 1.00 0.00 H new ATOM 0 H2'' DG B 13 7.612 15.838 6.163 1.00 0.00 H new ATOM 0 HO5' DG B 13 9.228 19.156 6.987 1.00 0.00 H new ATOM 0 H1' DG B 13 5.903 17.234 6.967 1.00 0.00 H new ATOM 0 H8 DG B 13 8.609 18.802 4.805 1.00 0.00 H new ATOM 0 H1 DG B 13 2.585 20.661 3.568 1.00 0.00 H new ATOM 0 H21 DG B 13 1.800 18.867 6.475 1.00 0.00 H new ATOM 0 H22 DG B 13 1.208 19.854 5.135 1.00 0.00 H new ATOM 406 P DG B 14 7.409 14.021 8.323 1.00 0.00 P ATOM 407 OP1 DG B 14 7.906 13.276 9.508 1.00 0.00 O ATOM 408 OP2 DG B 14 8.097 13.862 7.016 1.00 0.00 O ATOM 409 O5' DG B 14 5.871 13.649 8.123 1.00 0.00 O ATOM 410 C5' DG B 14 4.868 14.207 8.975 1.00 0.00 C ATOM 411 C4' DG B 14 3.495 13.742 8.548 1.00 0.00 C ATOM 412 O4' DG B 14 3.297 14.069 7.156 1.00 0.00 O ATOM 413 C3' DG B 14 3.257 12.233 8.667 1.00 0.00 C ATOM 414 O3' DG B 14 2.336 11.984 9.740 1.00 0.00 O ATOM 415 C2' DG B 14 2.680 11.827 7.315 1.00 0.00 C ATOM 416 C1' DG B 14 2.395 13.137 6.606 1.00 0.00 C ATOM 417 N9 DG B 14 2.609 13.106 5.164 1.00 0.00 N ATOM 418 C8 DG B 14 3.473 12.290 4.480 1.00 0.00 C ATOM 419 N7 DG B 14 3.486 12.514 3.194 1.00 0.00 N ATOM 420 C5 DG B 14 2.558 13.532 3.017 1.00 0.00 C ATOM 421 C6 DG B 14 2.130 14.190 1.835 1.00 0.00 C ATOM 422 O6 DG B 14 2.499 14.002 0.670 1.00 0.00 O ATOM 423 N1 DG B 14 1.169 15.155 2.109 1.00 0.00 N ATOM 424 C2 DG B 14 0.681 15.453 3.354 1.00 0.00 C ATOM 425 N2 DG B 14 -0.227 16.436 3.406 1.00 0.00 N ATOM 426 N3 DG B 14 1.059 14.840 4.462 1.00 0.00 N ATOM 427 C4 DG B 14 1.999 13.901 4.222 1.00 0.00 C ATOM 0 H5' DG B 14 4.917 15.295 8.941 1.00 0.00 H new ATOM 0 H5'' DG B 14 5.054 13.912 10.008 1.00 0.00 H new ATOM 0 H4' DG B 14 2.805 14.247 9.224 1.00 0.00 H new ATOM 0 H3' DG B 14 4.159 11.664 8.893 1.00 0.00 H new ATOM 0 H2' DG B 14 3.386 11.217 6.751 1.00 0.00 H new ATOM 0 H2'' DG B 14 1.772 11.236 7.434 1.00 0.00 H new ATOM 0 H1' DG B 14 1.342 13.378 6.748 1.00 0.00 H new ATOM 0 H8 DG B 14 4.082 11.537 4.958 1.00 0.00 H new ATOM 0 H1 DG B 14 0.797 15.684 1.320 1.00 0.00 H new ATOM 0 H21 DG B 14 -0.632 16.709 4.301 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.514 16.911 2.550 1.00 0.00 H new ATOM 439 P DA B 15 1.488 10.618 9.778 1.00 0.00 P ATOM 440 OP1 DA B 15 1.103 10.347 11.185 1.00 0.00 O ATOM 441 OP2 DA B 15 2.238 9.587 9.013 1.00 0.00 O ATOM 442 O5' DA B 15 0.165 10.979 8.965 1.00 0.00 O ATOM 443 C5' DA B 15 -0.442 12.266 9.092 1.00 0.00 C ATOM 444 C4' DA B 15 -1.934 12.168 8.877 1.00 0.00 C ATOM 445 O4' DA B 15 -2.234 12.475 7.497 1.00 0.00 O ATOM 446 C3' DA B 15 -2.538 10.790 9.124 1.00 0.00 C ATOM 447 O3' DA B 15 -3.896 10.916 9.564 1.00 0.00 O ATOM 448 C2' DA B 15 -2.469 10.126 7.760 1.00 0.00 C ATOM 449 C1' DA B 15 -2.490 11.283 6.767 1.00 0.00 C ATOM 450 N9 DA B 15 -1.488 11.192 5.705 1.00 0.00 N ATOM 451 C8 DA B 15 -0.231 10.644 5.770 1.00 0.00 C ATOM 452 N7 DA B 15 0.439 10.722 4.645 1.00 0.00 N ATOM 453 C5 DA B 15 -0.438 11.362 3.780 1.00 0.00 C ATOM 454 C6 DA B 15 -0.326 11.746 2.431 1.00 0.00 C ATOM 455 N6 DA B 15 0.768 11.541 1.693 1.00 0.00 N ATOM 456 N1 DA B 15 -1.385 12.361 1.862 1.00 0.00 N ATOM 457 C2 DA B 15 -2.476 12.580 2.612 1.00 0.00 C ATOM 458 N3 DA B 15 -2.698 12.271 3.887 1.00 0.00 N ATOM 459 C4 DA B 15 -1.628 11.656 4.420 1.00 0.00 C ATOM 0 H5' DA B 15 -0.008 12.953 8.366 1.00 0.00 H new ATOM 0 H5'' DA B 15 -0.237 12.676 10.081 1.00 0.00 H new ATOM 0 H4' DA B 15 -2.360 12.864 9.600 1.00 0.00 H new ATOM 0 H3' DA B 15 -2.019 10.222 9.896 1.00 0.00 H new ATOM 0 H2' DA B 15 -1.563 9.530 7.655 1.00 0.00 H new ATOM 0 H2'' DA B 15 -3.313 9.454 7.603 1.00 0.00 H new ATOM 0 H1' DA B 15 -3.465 11.263 6.280 1.00 0.00 H new ATOM 0 H8 DA B 15 0.169 10.191 6.665 1.00 0.00 H new ATOM 0 H61 DA B 15 0.790 11.842 0.719 1.00 0.00 H new ATOM 0 H62 DA B 15 1.582 11.083 2.104 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.291 13.079 2.108 1.00 0.00 H new ATOM 471 P DG B 16 -4.418 10.054 10.818 1.00 0.00 P ATOM 472 OP1 DG B 16 -5.429 10.864 11.544 1.00 0.00 O ATOM 473 OP2 DG B 16 -3.235 9.533 11.550 1.00 0.00 O ATOM 474 O5' DG B 16 -5.163 8.816 10.147 1.00 0.00 O ATOM 475 C5' DG B 16 -6.188 9.017 9.173 1.00 0.00 C ATOM 476 C4' DG B 16 -6.107 7.956 8.100 1.00 0.00 C ATOM 477 O4' DG B 16 -5.111 8.332 7.130 1.00 0.00 O ATOM 478 C3' DG B 16 -5.678 6.570 8.576 1.00 0.00 C ATOM 479 O3' DG B 16 -6.831 5.782 8.890 1.00 0.00 O ATOM 480 C2' DG B 16 -4.932 5.992 7.379 1.00 0.00 C ATOM 481 C1' DG B 16 -4.752 7.165 6.416 1.00 0.00 C ATOM 482 N9 DG B 16 -3.392 7.341 5.917 1.00 0.00 N ATOM 483 C8 DG B 16 -2.219 7.204 6.618 1.00 0.00 C ATOM 484 N7 DG B 16 -1.156 7.415 5.890 1.00 0.00 N ATOM 485 C5 DG B 16 -1.660 7.713 4.631 1.00 0.00 C ATOM 486 C6 DG B 16 -0.988 8.029 3.421 1.00 0.00 C ATOM 487 O6 DG B 16 0.228 8.113 3.211 1.00 0.00 O ATOM 488 N1 DG B 16 -1.884 8.260 2.383 1.00 0.00 N ATOM 489 C2 DG B 16 -3.254 8.199 2.496 1.00 0.00 C ATOM 490 N2 DG B 16 -3.968 8.456 1.392 1.00 0.00 N ATOM 491 N3 DG B 16 -3.888 7.905 3.614 1.00 0.00 N ATOM 492 C4 DG B 16 -3.038 7.675 4.633 1.00 0.00 C ATOM 0 H5' DG B 16 -6.085 10.005 8.725 1.00 0.00 H new ATOM 0 H5'' DG B 16 -7.166 8.985 9.653 1.00 0.00 H new ATOM 0 H4' DG B 16 -7.125 7.895 7.714 1.00 0.00 H new ATOM 0 H3' DG B 16 -5.065 6.593 9.477 1.00 0.00 H new ATOM 0 H2' DG B 16 -3.970 5.576 7.678 1.00 0.00 H new ATOM 0 H2'' DG B 16 -5.498 5.184 6.915 1.00 0.00 H new ATOM 0 H1' DG B 16 -5.371 6.968 5.540 1.00 0.00 H new ATOM 0 H8 DG B 16 -2.180 6.947 7.666 1.00 0.00 H new ATOM 0 H1 DG B 16 -1.496 8.492 1.469 1.00 0.00 H new ATOM 0 H21 DG B 16 -4.987 8.423 1.425 1.00 0.00 H new ATOM 0 H22 DG B 16 -3.493 8.684 0.519 1.00 0.00 H new ATOM 504 P DA B 17 -6.665 4.216 9.220 1.00 0.00 P ATOM 505 OP1 DA B 17 -7.732 3.832 10.179 1.00 0.00 O ATOM 506 OP2 DA B 17 -5.243 3.969 9.569 1.00 0.00 O ATOM 507 O5' DA B 17 -6.965 3.498 7.829 1.00 0.00 O ATOM 508 C5' DA B 17 -8.130 3.828 7.069 1.00 0.00 C ATOM 509 C4' DA B 17 -7.863 3.648 5.592 1.00 0.00 C ATOM 510 O4' DA B 17 -6.528 4.114 5.293 1.00 0.00 O ATOM 511 C3' DA B 17 -7.931 2.198 5.094 1.00 0.00 C ATOM 512 O3' DA B 17 -8.983 2.061 4.130 1.00 0.00 O ATOM 513 C2' DA B 17 -6.576 1.950 4.445 1.00 0.00 C ATOM 514 C1' DA B 17 -6.023 3.342 4.228 1.00 0.00 C ATOM 515 N9 DA B 17 -4.562 3.426 4.254 1.00 0.00 N ATOM 516 C8 DA B 17 -3.724 3.257 5.329 1.00 0.00 C ATOM 517 N7 DA B 17 -2.453 3.375 5.030 1.00 0.00 N ATOM 518 C5 DA B 17 -2.454 3.644 3.668 1.00 0.00 C ATOM 519 C6 DA B 17 -1.417 3.874 2.748 1.00 0.00 C ATOM 520 N6 DA B 17 -0.124 3.879 3.078 1.00 0.00 N ATOM 521 N1 DA B 17 -1.757 4.105 1.462 1.00 0.00 N ATOM 522 C2 DA B 17 -3.057 4.116 1.135 1.00 0.00 C ATOM 523 N3 DA B 17 -4.120 3.920 1.910 1.00 0.00 N ATOM 524 C4 DA B 17 -3.747 3.683 3.179 1.00 0.00 C ATOM 0 H5' DA B 17 -8.423 4.859 7.269 1.00 0.00 H new ATOM 0 H5'' DA B 17 -8.963 3.195 7.374 1.00 0.00 H new ATOM 0 H4' DA B 17 -8.651 4.212 5.093 1.00 0.00 H new ATOM 0 H3' DA B 17 -8.138 1.488 5.895 1.00 0.00 H new ATOM 0 H2' DA B 17 -5.926 1.357 5.088 1.00 0.00 H new ATOM 0 H2'' DA B 17 -6.675 1.407 3.505 1.00 0.00 H new ATOM 0 H1' DA B 17 -6.320 3.682 3.236 1.00 0.00 H new ATOM 0 H8 DA B 17 -4.079 3.047 6.327 1.00 0.00 H new ATOM 0 H61 DA B 17 0.584 4.052 2.364 1.00 0.00 H new ATOM 0 H62 DA B 17 0.156 3.709 4.044 1.00 0.00 H new ATOM 0 H2 DA B 17 -3.272 4.312 0.095 1.00 0.00 H new ATOM 536 P DC B 18 -9.197 0.657 3.372 1.00 0.00 P ATOM 537 OP1 DC B 18 -10.612 0.578 2.924 1.00 0.00 O ATOM 538 OP2 DC B 18 -8.641 -0.416 4.234 1.00 0.00 O ATOM 539 O5' DC B 18 -8.271 0.773 2.079 1.00 0.00 O ATOM 540 C5' DC B 18 -8.272 1.958 1.279 1.00 0.00 C ATOM 541 C4' DC B 18 -7.386 1.775 0.069 1.00 0.00 C ATOM 542 O4' DC B 18 -6.016 2.045 0.427 1.00 0.00 O ATOM 543 C3' DC B 18 -7.352 0.368 -0.519 1.00 0.00 C ATOM 544 O3' DC B 18 -8.392 0.207 -1.491 1.00 0.00 O ATOM 545 C2' DC B 18 -5.982 0.299 -1.180 1.00 0.00 C ATOM 546 C1' DC B 18 -5.175 1.430 -0.536 1.00 0.00 C ATOM 547 N1 DC B 18 -3.948 0.983 0.146 1.00 0.00 N ATOM 548 C2 DC B 18 -2.726 1.106 -0.520 1.00 0.00 C ATOM 549 O2 DC B 18 -2.711 1.602 -1.656 1.00 0.00 O ATOM 550 N3 DC B 18 -1.594 0.685 0.086 1.00 0.00 N ATOM 551 C4 DC B 18 -1.651 0.161 1.313 1.00 0.00 C ATOM 552 N4 DC B 18 -0.507 -0.236 1.874 1.00 0.00 N ATOM 553 C5 DC B 18 -2.883 0.024 2.018 1.00 0.00 C ATOM 554 C6 DC B 18 -3.996 0.447 1.403 1.00 0.00 C ATOM 0 H5' DC B 18 -7.922 2.804 1.870 1.00 0.00 H new ATOM 0 H5'' DC B 18 -9.289 2.190 0.962 1.00 0.00 H new ATOM 0 H4' DC B 18 -7.814 2.456 -0.667 1.00 0.00 H new ATOM 0 H3' DC B 18 -7.507 -0.414 0.224 1.00 0.00 H new ATOM 0 H2' DC B 18 -5.510 -0.669 -1.011 1.00 0.00 H new ATOM 0 H2'' DC B 18 -6.057 0.432 -2.259 1.00 0.00 H new ATOM 0 H1' DC B 18 -4.858 2.103 -1.333 1.00 0.00 H new ATOM 0 H41 DC B 18 -0.512 -0.641 2.810 1.00 0.00 H new ATOM 0 H42 DC B 18 0.372 -0.134 1.367 1.00 0.00 H new ATOM 0 H5 DC B 18 -2.918 -0.404 3.009 1.00 0.00 H new ATOM 0 H6 DC B 18 -4.947 0.363 1.909 1.00 0.00 H new ATOM 566 P DC B 19 -8.882 -1.270 -1.901 1.00 0.00 P ATOM 567 OP1 DC B 19 -9.873 -1.121 -2.996 1.00 0.00 O ATOM 568 OP2 DC B 19 -9.262 -1.995 -0.662 1.00 0.00 O ATOM 569 O5' DC B 19 -7.572 -1.956 -2.495 1.00 0.00 O ATOM 570 C5' DC B 19 -7.218 -1.803 -3.872 1.00 0.00 C ATOM 571 C4' DC B 19 -6.268 -2.900 -4.290 1.00 0.00 C ATOM 572 O4' DC B 19 -4.918 -2.501 -3.977 1.00 0.00 O ATOM 573 C3' DC B 19 -6.460 -4.232 -3.573 1.00 0.00 C ATOM 574 O3' DC B 19 -7.378 -5.055 -4.302 1.00 0.00 O ATOM 575 C2' DC B 19 -5.065 -4.838 -3.577 1.00 0.00 C ATOM 576 C1' DC B 19 -4.118 -3.654 -3.760 1.00 0.00 C ATOM 577 N1 DC B 19 -3.248 -3.383 -2.605 1.00 0.00 N ATOM 578 C2 DC B 19 -1.864 -3.472 -2.770 1.00 0.00 C ATOM 579 O2 DC B 19 -1.410 -3.795 -3.877 1.00 0.00 O ATOM 580 N3 DC B 19 -1.054 -3.206 -1.720 1.00 0.00 N ATOM 581 C4 DC B 19 -1.581 -2.868 -0.541 1.00 0.00 C ATOM 582 N4 DC B 19 -0.744 -2.617 0.465 1.00 0.00 N ATOM 583 C5 DC B 19 -2.990 -2.775 -0.343 1.00 0.00 C ATOM 584 C6 DC B 19 -3.779 -3.040 -1.393 1.00 0.00 C ATOM 0 H5' DC B 19 -6.753 -0.830 -4.030 1.00 0.00 H new ATOM 0 H5'' DC B 19 -8.115 -1.833 -4.491 1.00 0.00 H new ATOM 0 H4' DC B 19 -6.468 -3.043 -5.352 1.00 0.00 H new ATOM 0 H3' DC B 19 -6.871 -4.130 -2.569 1.00 0.00 H new ATOM 0 H2' DC B 19 -4.861 -5.365 -2.645 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.952 -5.562 -4.384 1.00 0.00 H new ATOM 0 H1' DC B 19 -3.461 -3.899 -4.595 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.111 -2.356 1.380 1.00 0.00 H new ATOM 0 H42 DC B 19 0.263 -2.686 0.320 1.00 0.00 H new ATOM 0 H5 DC B 19 -3.405 -2.502 0.616 1.00 0.00 H new ATOM 0 H6 DC B 19 -4.851 -2.982 -1.280 1.00 0.00 H new ATOM 596 P DA B 20 -7.651 -6.568 -3.825 1.00 0.00 P ATOM 597 OP1 DA B 20 -9.011 -6.939 -4.291 1.00 0.00 O ATOM 598 OP2 DA B 20 -7.315 -6.681 -2.382 1.00 0.00 O ATOM 599 O5' DA B 20 -6.594 -7.429 -4.650 1.00 0.00 O ATOM 600 C5' DA B 20 -6.464 -7.276 -6.066 1.00 0.00 C ATOM 601 C4' DA B 20 -5.010 -7.358 -6.472 1.00 0.00 C ATOM 602 O4' DA B 20 -4.189 -6.800 -5.415 1.00 0.00 O ATOM 603 C3' DA B 20 -4.481 -8.774 -6.707 1.00 0.00 C ATOM 604 O3' DA B 20 -3.544 -8.774 -7.792 1.00 0.00 O ATOM 605 C2' DA B 20 -3.803 -9.113 -5.391 1.00 0.00 C ATOM 606 C1' DA B 20 -3.255 -7.767 -4.964 1.00 0.00 C ATOM 607 N9 DA B 20 -3.102 -7.608 -3.518 1.00 0.00 N ATOM 608 C8 DA B 20 -4.073 -7.712 -2.555 1.00 0.00 C ATOM 609 N7 DA B 20 -3.631 -7.520 -1.337 1.00 0.00 N ATOM 610 C5 DA B 20 -2.276 -7.275 -1.508 1.00 0.00 C ATOM 611 C6 DA B 20 -1.243 -6.998 -0.597 1.00 0.00 C ATOM 612 N6 DA B 20 -1.428 -6.908 0.719 1.00 0.00 N ATOM 613 N1 DA B 20 0.000 -6.813 -1.093 1.00 0.00 N ATOM 614 C2 DA B 20 0.178 -6.893 -2.418 1.00 0.00 C ATOM 615 N3 DA B 20 -0.715 -7.138 -3.376 1.00 0.00 N ATOM 616 C4 DA B 20 -1.936 -7.325 -2.848 1.00 0.00 C ATOM 0 H5' DA B 20 -6.881 -6.317 -6.375 1.00 0.00 H new ATOM 0 H5'' DA B 20 -7.035 -8.051 -6.576 1.00 0.00 H new ATOM 0 H4' DA B 20 -4.954 -6.814 -7.415 1.00 0.00 H new ATOM 0 H3' DA B 20 -5.254 -9.494 -6.977 1.00 0.00 H new ATOM 0 H2' DA B 20 -4.505 -9.517 -4.662 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.013 -9.854 -5.518 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.256 -7.660 -5.388 1.00 0.00 H new ATOM 0 H8 DA B 20 -5.106 -7.932 -2.780 1.00 0.00 H new ATOM 0 H61 DA B 20 -0.639 -6.704 1.332 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.359 -7.043 1.113 1.00 0.00 H new ATOM 0 H2 DA B 20 1.191 -6.736 -2.759 1.00 0.00 H new ATOM 628 P DG B 21 -2.589 -10.046 -8.032 1.00 0.00 P ATOM 629 OP1 DG B 21 -2.149 -10.042 -9.450 1.00 0.00 O ATOM 630 OP2 DG B 21 -3.280 -11.242 -7.484 1.00 0.00 O ATOM 631 O5' DG B 21 -1.322 -9.750 -7.112 1.00 0.00 O ATOM 632 C5' DG B 21 -0.351 -8.772 -7.491 1.00 0.00 C ATOM 633 C4' DG B 21 1.032 -9.223 -7.083 1.00 0.00 C ATOM 634 O4' DG B 21 1.358 -8.655 -5.795 1.00 0.00 O ATOM 635 C3' DG B 21 1.193 -10.730 -6.907 1.00 0.00 C ATOM 636 O3' DG B 21 1.586 -11.337 -8.142 1.00 0.00 O ATOM 637 C2' DG B 21 2.301 -10.830 -5.875 1.00 0.00 C ATOM 638 C1' DG B 21 2.076 -9.597 -5.006 1.00 0.00 C ATOM 639 N9 DG B 21 1.302 -9.847 -3.795 1.00 0.00 N ATOM 640 C8 DG B 21 -0.032 -10.165 -3.708 1.00 0.00 C ATOM 641 N7 DG B 21 -0.443 -10.328 -2.480 1.00 0.00 N ATOM 642 C5 DG B 21 0.689 -10.103 -1.709 1.00 0.00 C ATOM 643 C6 DG B 21 0.864 -10.134 -0.301 1.00 0.00 C ATOM 644 O6 DG B 21 0.027 -10.374 0.576 1.00 0.00 O ATOM 645 N1 DG B 21 2.177 -9.845 0.057 1.00 0.00 N ATOM 646 C2 DG B 21 3.189 -9.560 -0.824 1.00 0.00 C ATOM 647 N2 DG B 21 4.382 -9.303 -0.285 1.00 0.00 N ATOM 648 N3 DG B 21 3.040 -9.527 -2.136 1.00 0.00 N ATOM 649 C4 DG B 21 1.774 -9.806 -2.506 1.00 0.00 C ATOM 0 H5' DG B 21 -0.583 -7.817 -7.020 1.00 0.00 H new ATOM 0 H5'' DG B 21 -0.386 -8.613 -8.569 1.00 0.00 H new ATOM 0 H4' DG B 21 1.678 -8.896 -7.898 1.00 0.00 H new ATOM 0 H3' DG B 21 0.277 -11.237 -6.603 1.00 0.00 H new ATOM 0 H2' DG B 21 2.230 -11.750 -5.295 1.00 0.00 H new ATOM 0 H2'' DG B 21 3.287 -10.821 -6.340 1.00 0.00 H new ATOM 0 H1' DG B 21 3.056 -9.246 -4.681 1.00 0.00 H new ATOM 0 H8 DG B 21 -0.676 -10.270 -4.569 1.00 0.00 H new ATOM 0 H1 DG B 21 2.405 -9.845 1.051 1.00 0.00 H new ATOM 0 H21 DG B 21 5.177 -9.084 -0.886 1.00 0.00 H new ATOM 0 H22 DG B 21 4.499 -9.326 0.728 1.00 0.00 H new ATOM 661 P DA B 22 1.065 -12.813 -8.509 1.00 0.00 P ATOM 662 OP1 DA B 22 0.776 -12.825 -9.965 1.00 0.00 O ATOM 663 OP2 DA B 22 0.001 -13.201 -7.548 1.00 0.00 O ATOM 664 O5' DA B 22 2.333 -13.744 -8.252 1.00 0.00 O ATOM 665 C5' DA B 22 3.661 -13.235 -8.388 1.00 0.00 C ATOM 666 C4' DA B 22 4.636 -14.116 -7.644 1.00 0.00 C ATOM 667 O4' DA B 22 4.801 -13.608 -6.299 1.00 0.00 O ATOM 668 C3' DA B 22 4.194 -15.569 -7.485 1.00 0.00 C ATOM 669 O3' DA B 22 4.758 -16.371 -8.527 1.00 0.00 O ATOM 670 C2' DA B 22 4.763 -15.957 -6.133 1.00 0.00 C ATOM 671 C1' DA B 22 4.673 -14.658 -5.351 1.00 0.00 C ATOM 672 N9 DA B 22 3.415 -14.458 -4.631 1.00 0.00 N ATOM 673 C8 DA B 22 2.160 -14.273 -5.158 1.00 0.00 C ATOM 674 N7 DA B 22 1.228 -14.094 -4.255 1.00 0.00 N ATOM 675 C5 DA B 22 1.912 -14.173 -3.050 1.00 0.00 C ATOM 676 C6 DA B 22 1.491 -14.064 -1.711 1.00 0.00 C ATOM 677 N6 DA B 22 0.227 -13.843 -1.349 1.00 0.00 N ATOM 678 N1 DA B 22 2.427 -14.192 -0.746 1.00 0.00 N ATOM 679 C2 DA B 22 3.697 -14.416 -1.111 1.00 0.00 C ATOM 680 N3 DA B 22 4.214 -14.539 -2.332 1.00 0.00 N ATOM 681 C4 DA B 22 3.258 -14.403 -3.267 1.00 0.00 C ATOM 0 H5' DA B 22 3.710 -12.218 -8.000 1.00 0.00 H new ATOM 0 H5'' DA B 22 3.934 -13.188 -9.442 1.00 0.00 H new ATOM 0 H4' DA B 22 5.546 -14.097 -8.243 1.00 0.00 H new ATOM 0 H3' DA B 22 3.114 -15.707 -7.545 1.00 0.00 H new ATOM 0 H2' DA B 22 4.186 -16.754 -5.664 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.790 -16.312 -6.212 1.00 0.00 H new ATOM 0 H1' DA B 22 5.455 -14.681 -4.592 1.00 0.00 H new ATOM 0 H8 DA B 22 1.960 -14.275 -6.219 1.00 0.00 H new ATOM 0 H61 DA B 22 -0.016 -13.774 -0.361 1.00 0.00 H new ATOM 0 H62 DA B 22 -0.497 -13.743 -2.060 1.00 0.00 H new ATOM 0 H2 DA B 22 4.402 -14.510 -0.298 1.00 0.00 H new ATOM 693 P DG B 23 3.962 -17.661 -9.064 1.00 0.00 P ATOM 694 OP1 DG B 23 4.598 -18.067 -10.343 1.00 0.00 O ATOM 695 OP2 DG B 23 2.505 -17.371 -9.029 1.00 0.00 O ATOM 696 O5' DG B 23 4.275 -18.783 -7.977 1.00 0.00 O ATOM 697 C5' DG B 23 5.603 -18.983 -7.488 1.00 0.00 C ATOM 698 C4' DG B 23 5.566 -19.634 -6.127 1.00 0.00 C ATOM 699 O4' DG B 23 5.123 -18.674 -5.147 1.00 0.00 O ATOM 700 C3' DG B 23 4.592 -20.795 -5.988 1.00 0.00 C ATOM 701 O3' DG B 23 5.205 -22.016 -6.414 1.00 0.00 O ATOM 702 C2' DG B 23 4.317 -20.818 -4.495 1.00 0.00 C ATOM 703 C1' DG B 23 4.506 -19.361 -4.067 1.00 0.00 C ATOM 704 N9 DG B 23 3.262 -18.670 -3.748 1.00 0.00 N ATOM 705 C8 DG B 23 2.387 -18.085 -4.630 1.00 0.00 C ATOM 706 N7 DG B 23 1.349 -17.551 -4.049 1.00 0.00 N ATOM 707 C5 DG B 23 1.551 -17.797 -2.697 1.00 0.00 C ATOM 708 C6 DG B 23 0.756 -17.458 -1.574 1.00 0.00 C ATOM 709 O6 DG B 23 -0.318 -16.849 -1.549 1.00 0.00 O ATOM 710 N1 DG B 23 1.330 -17.903 -0.387 1.00 0.00 N ATOM 711 C2 DG B 23 2.522 -18.587 -0.293 1.00 0.00 C ATOM 712 N2 DG B 23 2.932 -18.941 0.937 1.00 0.00 N ATOM 713 N3 DG B 23 3.270 -18.906 -1.334 1.00 0.00 N ATOM 714 C4 DG B 23 2.728 -18.485 -2.496 1.00 0.00 C ATOM 0 H5' DG B 23 6.124 -18.027 -7.428 1.00 0.00 H new ATOM 0 H5'' DG B 23 6.164 -19.608 -8.183 1.00 0.00 H new ATOM 0 H4' DG B 23 6.582 -20.002 -5.983 1.00 0.00 H new ATOM 0 H3' DG B 23 3.691 -20.688 -6.592 1.00 0.00 H new ATOM 0 H2' DG B 23 3.308 -21.171 -4.279 1.00 0.00 H new ATOM 0 H2'' DG B 23 5.005 -21.481 -3.971 1.00 0.00 H new ATOM 0 H1' DG B 23 5.107 -19.367 -3.158 1.00 0.00 H new ATOM 0 H8 DG B 23 2.543 -18.069 -5.699 1.00 0.00 H new ATOM 0 H1 DG B 23 0.830 -17.708 0.480 1.00 0.00 H new ATOM 0 H21 DG B 23 3.809 -19.449 1.056 1.00 0.00 H new ATOM 0 H22 DG B 23 2.367 -18.702 1.752 1.00 0.00 H new ATOM 726 P DG B 24 4.293 -23.209 -6.990 1.00 0.00 P ATOM 727 OP1 DG B 24 5.178 -24.155 -7.717 1.00 0.00 O ATOM 728 OP2 DG B 24 3.137 -22.598 -7.695 1.00 0.00 O ATOM 729 O5' DG B 24 3.747 -23.942 -5.685 1.00 0.00 O ATOM 730 C5' DG B 24 4.644 -24.420 -4.680 1.00 0.00 C ATOM 731 C4' DG B 24 3.886 -25.197 -3.627 1.00 0.00 C ATOM 732 O4' DG B 24 3.072 -24.288 -2.854 1.00 0.00 O ATOM 733 C3' DG B 24 2.911 -26.238 -4.163 1.00 0.00 C ATOM 734 O3' DG B 24 3.560 -27.497 -4.361 1.00 0.00 O ATOM 735 C2' DG B 24 1.885 -26.337 -3.049 1.00 0.00 C ATOM 736 C1' DG B 24 1.861 -24.928 -2.463 1.00 0.00 C ATOM 737 N9 DG B 24 0.750 -24.104 -2.928 1.00 0.00 N ATOM 738 C8 DG B 24 0.386 -23.862 -4.231 1.00 0.00 C ATOM 739 N7 DG B 24 -0.658 -23.088 -4.338 1.00 0.00 N ATOM 740 C5 DG B 24 -1.005 -22.797 -3.025 1.00 0.00 C ATOM 741 C6 DG B 24 -2.059 -22.000 -2.507 1.00 0.00 C ATOM 742 O6 DG B 24 -2.924 -21.369 -3.125 1.00 0.00 O ATOM 743 N1 DG B 24 -2.045 -21.976 -1.117 1.00 0.00 N ATOM 744 C2 DG B 24 -1.138 -22.632 -0.327 1.00 0.00 C ATOM 745 N2 DG B 24 -1.296 -22.483 0.990 1.00 0.00 N ATOM 746 N3 DG B 24 -0.152 -23.378 -0.794 1.00 0.00 N ATOM 747 C4 DG B 24 -0.145 -23.416 -2.143 1.00 0.00 C ATOM 0 H5' DG B 24 5.164 -23.581 -4.218 1.00 0.00 H new ATOM 0 H5'' DG B 24 5.404 -25.056 -5.134 1.00 0.00 H new ATOM 0 H4' DG B 24 4.664 -25.707 -3.059 1.00 0.00 H new ATOM 0 H3' DG B 24 2.485 -25.970 -5.130 1.00 0.00 H new ATOM 0 H2' DG B 24 0.907 -26.631 -3.429 1.00 0.00 H new ATOM 0 H2'' DG B 24 2.173 -27.078 -2.303 1.00 0.00 H new ATOM 0 HO3' DG B 24 2.913 -28.148 -4.704 1.00 0.00 H new ATOM 0 H1' DG B 24 1.746 -25.028 -1.384 1.00 0.00 H new ATOM 0 H8 DG B 24 0.912 -24.272 -5.081 1.00 0.00 H new ATOM 0 H1 DG B 24 -2.766 -21.427 -0.649 1.00 0.00 H new ATOM 0 H21 DG B 24 -0.655 -22.944 1.636 1.00 0.00 H new ATOM 0 H22 DG B 24 -2.057 -21.908 1.350 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.558 0.669 -0.328 1.00 0.00 PT HETATM 762 N1 1PT A 13 3.715 2.289 0.877 1.00 0.00 N HETATM 763 N2 1PT A 13 4.340 -0.367 1.231 1.00 0.00 N HETATM 764 C1 1PT A 13 3.957 1.802 2.320 1.00 0.00 C HETATM 765 C2 1PT A 13 4.930 0.640 2.238 1.00 0.00 C HETATM 766 C3 1PT A 13 5.165 0.043 3.586 1.00 0.00 C HETATM 767 C4 1PT A 13 5.766 1.108 4.575 1.00 0.00 C HETATM 768 C5 1PT A 13 4.738 2.347 4.606 1.00 0.00 C HETATM 769 C6 1PT A 13 4.480 2.885 3.218 1.00 0.00 C HETATM 0 H62 1PT A 13 5.401 3.295 2.804 1.00 0.00 H new HETATM 0 H61 1PT A 13 3.761 3.703 3.267 1.00 0.00 H new HETATM 0 H52 1PT A 13 3.797 2.030 5.055 1.00 0.00 H new HETATM 0 H51 1PT A 13 5.141 3.140 5.236 1.00 0.00 H new HETATM 0 H42 1PT A 13 5.890 0.684 5.571 1.00 0.00 H new HETATM 0 H41 1PT A 13 6.752 1.432 4.242 1.00 0.00 H new HETATM 0 H32 1PT A 13 4.227 -0.342 3.986 1.00 0.00 H new HETATM 0 H31 1PT A 13 5.846 -0.804 3.499 1.00 0.00 H new HETATM 0 H2 1PT A 13 5.912 0.966 1.894 1.00 0.00 H new HETATM 0 H1 1PT A 13 3.011 1.493 2.765 1.00 0.00 H new