USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=4 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 25:sc= 0.341 USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.932 (180deg=-0.932) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.232 (180deg=-0.232) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.221 (180deg=-0.221) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 27:sc= 0.192 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.885 -19.968 2.567 1.00 0.00 O ATOM 2 C5' DC A 1 -10.305 -19.873 3.872 1.00 0.00 C ATOM 3 C4' DC A 1 -8.819 -19.606 3.786 1.00 0.00 C ATOM 4 O4' DC A 1 -8.303 -20.202 2.579 1.00 0.00 O ATOM 5 C3' DC A 1 -8.432 -18.131 3.699 1.00 0.00 C ATOM 6 O3' DC A 1 -8.120 -17.631 5.004 1.00 0.00 O ATOM 7 C2' DC A 1 -7.192 -18.128 2.813 1.00 0.00 C ATOM 8 C1' DC A 1 -7.115 -19.529 2.209 1.00 0.00 C ATOM 9 N1 DC A 1 -7.020 -19.559 0.740 1.00 0.00 N ATOM 10 C2 DC A 1 -5.804 -19.912 0.147 1.00 0.00 C ATOM 11 O2 DC A 1 -4.835 -20.177 0.875 1.00 0.00 O ATOM 12 N3 DC A 1 -5.713 -19.956 -1.202 1.00 0.00 N ATOM 13 C4 DC A 1 -6.777 -19.659 -1.952 1.00 0.00 C ATOM 14 N4 DC A 1 -6.643 -19.721 -3.277 1.00 0.00 N ATOM 15 C5 DC A 1 -8.027 -19.288 -1.375 1.00 0.00 C ATOM 16 C6 DC A 1 -8.102 -19.251 -0.038 1.00 0.00 C ATOM 0 H5' DC A 1 -10.481 -20.799 4.420 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.790 -19.074 4.432 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.410 -20.020 4.708 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.229 -17.502 3.303 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.269 -17.369 2.034 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.297 -17.901 3.392 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.197 -20.232 1.921 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.204 -19.994 2.585 1.00 0.00 H new ATOM 0 H41 DC A 1 -7.435 -19.501 -3.881 1.00 0.00 H new ATOM 0 H42 DC A 1 -5.748 -19.989 -3.687 1.00 0.00 H new ATOM 0 H5 DC A 1 -8.880 -19.046 -1.992 1.00 0.00 H new ATOM 0 H6 DC A 1 -9.033 -18.973 0.434 1.00 0.00 H new ATOM 29 P DC A 2 -7.957 -16.047 5.238 1.00 0.00 P ATOM 30 OP1 DC A 2 -8.947 -15.620 6.257 1.00 0.00 O ATOM 31 OP2 DC A 2 -7.943 -15.387 3.907 1.00 0.00 O ATOM 32 O5' DC A 2 -6.501 -15.902 5.868 1.00 0.00 O ATOM 33 C5' DC A 2 -5.873 -17.003 6.530 1.00 0.00 C ATOM 34 C4' DC A 2 -4.370 -16.876 6.441 1.00 0.00 C ATOM 35 O4' DC A 2 -3.899 -17.591 5.273 1.00 0.00 O ATOM 36 C3' DC A 2 -3.850 -15.452 6.271 1.00 0.00 C ATOM 37 O3' DC A 2 -3.611 -14.849 7.546 1.00 0.00 O ATOM 38 C2' DC A 2 -2.555 -15.663 5.513 1.00 0.00 C ATOM 39 C1' DC A 2 -2.909 -16.823 4.595 1.00 0.00 C ATOM 40 N1 DC A 2 -3.463 -16.419 3.291 1.00 0.00 N ATOM 41 C2 DC A 2 -2.653 -16.511 2.157 1.00 0.00 C ATOM 42 O2 DC A 2 -1.492 -16.924 2.283 1.00 0.00 O ATOM 43 N3 DC A 2 -3.154 -16.149 0.955 1.00 0.00 N ATOM 44 C4 DC A 2 -4.411 -15.708 0.863 1.00 0.00 C ATOM 45 N4 DC A 2 -4.866 -15.369 -0.342 1.00 0.00 N ATOM 46 C5 DC A 2 -5.258 -15.600 2.003 1.00 0.00 C ATOM 47 C6 DC A 2 -4.748 -15.962 3.187 1.00 0.00 C ATOM 0 H5' DC A 2 -6.194 -17.941 6.076 1.00 0.00 H new ATOM 0 H5'' DC A 2 -6.182 -17.033 7.575 1.00 0.00 H new ATOM 0 H4' DC A 2 -4.007 -17.269 7.391 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.545 -14.787 5.758 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.261 -14.775 4.953 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.728 -15.908 6.179 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.990 -17.369 4.382 1.00 0.00 H new ATOM 0 H41 DC A 2 -5.821 -15.028 -0.449 1.00 0.00 H new ATOM 0 H42 DC A 2 -4.259 -15.450 -1.158 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.272 -15.240 1.916 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.361 -15.892 4.074 1.00 0.00 H new ATOM 59 P DT A 3 -3.665 -13.248 7.694 1.00 0.00 P ATOM 60 OP1 DT A 3 -3.976 -12.924 9.109 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.536 -12.720 6.612 1.00 0.00 O ATOM 62 O5' DT A 3 -2.172 -12.784 7.390 1.00 0.00 O ATOM 63 C5' DT A 3 -1.056 -13.584 7.788 1.00 0.00 C ATOM 64 C4' DT A 3 0.098 -13.381 6.835 1.00 0.00 C ATOM 65 O4' DT A 3 -0.338 -13.712 5.494 1.00 0.00 O ATOM 66 C3' DT A 3 0.630 -11.947 6.773 1.00 0.00 C ATOM 67 O3' DT A 3 2.061 -11.940 6.788 1.00 0.00 O ATOM 68 C2' DT A 3 0.115 -11.418 5.447 1.00 0.00 C ATOM 69 C1' DT A 3 -0.002 -12.665 4.604 1.00 0.00 C ATOM 70 N1 DT A 3 -1.042 -12.595 3.565 1.00 0.00 N ATOM 71 C2 DT A 3 -0.660 -12.605 2.245 1.00 0.00 C ATOM 72 O2 DT A 3 0.503 -12.682 1.890 1.00 0.00 O ATOM 73 N3 DT A 3 -1.693 -12.522 1.351 1.00 0.00 N ATOM 74 C4 DT A 3 -3.038 -12.439 1.639 1.00 0.00 C ATOM 75 O4 DT A 3 -3.855 -12.379 0.725 1.00 0.00 O ATOM 76 C5 DT A 3 -3.369 -12.438 3.049 1.00 0.00 C ATOM 77 C7 DT A 3 -4.802 -12.321 3.460 1.00 0.00 C ATOM 78 C6 DT A 3 -2.364 -12.516 3.933 1.00 0.00 C ATOM 0 H5' DT A 3 -1.341 -14.636 7.806 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.752 -13.319 8.801 1.00 0.00 H new ATOM 0 H4' DT A 3 0.898 -14.021 7.209 1.00 0.00 H new ATOM 0 H3' DT A 3 0.307 -11.345 7.622 1.00 0.00 H new ATOM 0 H2' DT A 3 -0.846 -10.915 5.559 1.00 0.00 H new ATOM 0 H2'' DT A 3 0.803 -10.696 5.006 1.00 0.00 H new ATOM 0 H1' DT A 3 0.942 -12.810 4.079 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.439 -12.522 0.363 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.953 -12.842 4.405 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.061 -11.269 3.580 1.00 0.00 H new ATOM 0 H73 DT A 3 -5.438 -12.766 2.695 1.00 0.00 H new ATOM 0 H6 DT A 3 -2.605 -12.517 4.986 1.00 0.00 H new ATOM 91 P DC A 4 2.851 -10.551 6.976 1.00 0.00 P ATOM 92 OP1 DC A 4 4.031 -10.834 7.834 1.00 0.00 O ATOM 93 OP2 DC A 4 1.879 -9.505 7.388 1.00 0.00 O ATOM 94 O5' DC A 4 3.368 -10.192 5.511 1.00 0.00 O ATOM 95 C5' DC A 4 4.762 -10.028 5.240 1.00 0.00 C ATOM 96 C4' DC A 4 4.965 -9.159 4.019 1.00 0.00 C ATOM 97 O4' DC A 4 3.908 -9.428 3.065 1.00 0.00 O ATOM 98 C3' DC A 4 4.926 -7.651 4.281 1.00 0.00 C ATOM 99 O3' DC A 4 5.953 -6.996 3.528 1.00 0.00 O ATOM 100 C2' DC A 4 3.551 -7.233 3.790 1.00 0.00 C ATOM 101 C1' DC A 4 3.298 -8.214 2.664 1.00 0.00 C ATOM 102 N1 DC A 4 1.880 -8.493 2.386 1.00 0.00 N ATOM 103 C2 DC A 4 1.425 -8.423 1.066 1.00 0.00 C ATOM 104 O2 DC A 4 2.223 -8.105 0.174 1.00 0.00 O ATOM 105 N3 DC A 4 0.129 -8.700 0.798 1.00 0.00 N ATOM 106 C4 DC A 4 -0.701 -9.031 1.789 1.00 0.00 C ATOM 107 N4 DC A 4 -1.971 -9.303 1.478 1.00 0.00 N ATOM 108 C5 DC A 4 -0.267 -9.101 3.146 1.00 0.00 C ATOM 109 C6 DC A 4 1.019 -8.826 3.395 1.00 0.00 C ATOM 0 H5' DC A 4 5.225 -11.002 5.082 1.00 0.00 H new ATOM 0 H5'' DC A 4 5.255 -9.577 6.101 1.00 0.00 H new ATOM 0 H4' DC A 4 5.963 -9.411 3.660 1.00 0.00 H new ATOM 0 H3' DC A 4 5.093 -7.392 5.327 1.00 0.00 H new ATOM 0 H2' DC A 4 2.798 -7.311 4.574 1.00 0.00 H new ATOM 0 H2'' DC A 4 3.541 -6.201 3.440 1.00 0.00 H new ATOM 0 H1' DC A 4 3.698 -7.778 1.749 1.00 0.00 H new ATOM 0 H41 DC A 4 -2.632 -9.559 2.211 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.280 -9.254 0.507 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.949 -9.365 3.941 1.00 0.00 H new ATOM 0 H6 DC A 4 1.383 -8.868 4.411 1.00 0.00 H new ATOM 121 P DT A 5 6.411 -5.504 3.922 1.00 0.00 P ATOM 122 OP1 DT A 5 7.755 -5.580 4.546 1.00 0.00 O ATOM 123 OP2 DT A 5 5.292 -4.868 4.664 1.00 0.00 O ATOM 124 O5' DT A 5 6.548 -4.761 2.518 1.00 0.00 O ATOM 125 C5' DT A 5 7.416 -5.264 1.500 1.00 0.00 C ATOM 126 C4' DT A 5 7.035 -4.691 0.155 1.00 0.00 C ATOM 127 O4' DT A 5 5.642 -4.998 -0.098 1.00 0.00 O ATOM 128 C3' DT A 5 7.175 -3.170 0.039 1.00 0.00 C ATOM 129 O3' DT A 5 7.818 -2.819 -1.191 1.00 0.00 O ATOM 130 C2' DT A 5 5.745 -2.659 0.054 1.00 0.00 C ATOM 131 C1' DT A 5 4.935 -3.830 -0.467 1.00 0.00 C ATOM 132 N1 DT A 5 3.577 -3.926 0.100 1.00 0.00 N ATOM 133 C2 DT A 5 2.513 -4.098 -0.760 1.00 0.00 C ATOM 134 O2 DT A 5 2.636 -4.172 -1.971 1.00 0.00 O ATOM 135 N3 DT A 5 1.291 -4.176 -0.146 1.00 0.00 N ATOM 136 C4 DT A 5 1.031 -4.094 1.207 1.00 0.00 C ATOM 137 O4 DT A 5 -0.123 -4.169 1.611 1.00 0.00 O ATOM 138 C5 DT A 5 2.190 -3.911 2.049 1.00 0.00 C ATOM 139 C7 DT A 5 2.000 -3.821 3.531 1.00 0.00 C ATOM 140 C6 DT A 5 3.393 -3.841 1.466 1.00 0.00 C ATOM 0 H5' DT A 5 7.359 -6.352 1.469 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.449 -5.006 1.733 1.00 0.00 H new ATOM 0 H4' DT A 5 7.725 -5.140 -0.560 1.00 0.00 H new ATOM 0 H3' DT A 5 7.780 -2.744 0.840 1.00 0.00 H new ATOM 0 H2' DT A 5 5.433 -2.373 1.059 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.628 -1.779 -0.579 1.00 0.00 H new ATOM 0 H1' DT A 5 4.812 -3.701 -1.542 1.00 0.00 H new ATOM 0 H3 DT A 5 0.484 -4.309 -0.756 1.00 0.00 H new ATOM 0 H71 DT A 5 2.885 -4.209 4.035 1.00 0.00 H new ATOM 0 H72 DT A 5 1.848 -2.780 3.816 1.00 0.00 H new ATOM 0 H73 DT A 5 1.129 -4.408 3.822 1.00 0.00 H new ATOM 0 H6 DT A 5 4.262 -3.712 2.094 1.00 0.00 H new ATOM 153 P DG A 6 8.545 -1.392 -1.331 1.00 0.00 P ATOM 154 OP1 DG A 6 10.013 -1.611 -1.325 1.00 0.00 O ATOM 155 OP2 DG A 6 7.933 -0.479 -0.331 1.00 0.00 O ATOM 156 O5' DG A 6 8.117 -0.877 -2.777 1.00 0.00 O ATOM 157 C5' DG A 6 8.676 -1.450 -3.961 1.00 0.00 C ATOM 158 C4' DG A 6 7.726 -1.275 -5.123 1.00 0.00 C ATOM 159 O4' DG A 6 6.546 -2.085 -4.897 1.00 0.00 O ATOM 160 C3' DG A 6 7.199 0.145 -5.318 1.00 0.00 C ATOM 161 O3' DG A 6 8.055 0.897 -6.186 1.00 0.00 O ATOM 162 C2' DG A 6 5.846 -0.098 -5.957 1.00 0.00 C ATOM 163 C1' DG A 6 5.377 -1.339 -5.222 1.00 0.00 C ATOM 164 N9 DG A 6 4.671 -1.037 -3.983 1.00 0.00 N ATOM 165 C8 DG A 6 5.227 -0.616 -2.803 1.00 0.00 C ATOM 166 N7 DG A 6 4.347 -0.381 -1.870 1.00 0.00 N ATOM 167 C5 DG A 6 3.132 -0.695 -2.465 1.00 0.00 C ATOM 168 C6 DG A 6 1.813 -0.648 -1.944 1.00 0.00 C ATOM 169 O6 DG A 6 1.448 -0.332 -0.809 1.00 0.00 O ATOM 170 N1 DG A 6 0.872 -1.026 -2.896 1.00 0.00 N ATOM 171 C2 DG A 6 1.164 -1.412 -4.184 1.00 0.00 C ATOM 172 N2 DG A 6 0.127 -1.746 -4.967 1.00 0.00 N ATOM 173 N3 DG A 6 2.389 -1.466 -4.677 1.00 0.00 N ATOM 174 C4 DG A 6 3.316 -1.095 -3.772 1.00 0.00 C ATOM 0 H5' DG A 6 8.876 -2.510 -3.802 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.631 -0.976 -4.188 1.00 0.00 H new ATOM 0 H4' DG A 6 8.310 -1.555 -6.000 1.00 0.00 H new ATOM 0 H3' DG A 6 7.148 0.724 -4.396 1.00 0.00 H new ATOM 0 H2' DG A 6 5.168 0.744 -5.813 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.925 -0.264 -7.031 1.00 0.00 H new ATOM 0 H1' DG A 6 4.680 -1.880 -5.862 1.00 0.00 H new ATOM 0 H8 DG A 6 6.290 -0.491 -2.660 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.109 -1.016 -2.618 1.00 0.00 H new ATOM 0 H21 DG A 6 0.289 -2.039 -5.930 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.823 -1.707 -4.599 1.00 0.00 H new ATOM 186 P DG A 7 8.554 2.364 -5.743 1.00 0.00 P ATOM 187 OP1 DG A 7 9.753 2.684 -6.556 1.00 0.00 O ATOM 188 OP2 DG A 7 8.640 2.406 -4.260 1.00 0.00 O ATOM 189 O5' DG A 7 7.374 3.337 -6.196 1.00 0.00 O ATOM 190 C5' DG A 7 6.423 2.927 -7.178 1.00 0.00 C ATOM 191 C4' DG A 7 5.257 3.886 -7.224 1.00 0.00 C ATOM 192 O4' DG A 7 4.210 3.360 -6.374 1.00 0.00 O ATOM 193 C3' DG A 7 5.540 5.307 -6.729 1.00 0.00 C ATOM 194 O3' DG A 7 4.866 6.262 -7.559 1.00 0.00 O ATOM 195 C2' DG A 7 4.969 5.316 -5.324 1.00 0.00 C ATOM 196 C1' DG A 7 3.819 4.334 -5.425 1.00 0.00 C ATOM 197 N9 DG A 7 3.516 3.651 -4.174 1.00 0.00 N ATOM 198 C8 DG A 7 4.364 2.866 -3.435 1.00 0.00 C ATOM 199 N7 DG A 7 3.824 2.421 -2.332 1.00 0.00 N ATOM 200 C5 DG A 7 2.534 2.937 -2.355 1.00 0.00 C ATOM 201 C6 DG A 7 1.470 2.797 -1.428 1.00 0.00 C ATOM 202 O6 DG A 7 1.460 2.183 -0.355 1.00 0.00 O ATOM 203 N1 DG A 7 0.329 3.473 -1.851 1.00 0.00 N ATOM 204 C2 DG A 7 0.229 4.195 -3.014 1.00 0.00 C ATOM 205 N2 DG A 7 -0.951 4.777 -3.251 1.00 0.00 N ATOM 206 N3 DG A 7 1.213 4.336 -3.882 1.00 0.00 N ATOM 207 C4 DG A 7 2.327 3.685 -3.493 1.00 0.00 C ATOM 0 H5' DG A 7 6.066 1.923 -6.949 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.901 2.880 -8.157 1.00 0.00 H new ATOM 0 H4' DG A 7 4.995 3.965 -8.279 1.00 0.00 H new ATOM 0 H3' DG A 7 6.598 5.569 -6.754 1.00 0.00 H new ATOM 0 H2' DG A 7 5.706 5.001 -4.585 1.00 0.00 H new ATOM 0 H2'' DG A 7 4.629 6.309 -5.032 1.00 0.00 H new ATOM 0 H1' DG A 7 2.921 4.887 -5.701 1.00 0.00 H new ATOM 0 H8 DG A 7 5.376 2.639 -3.735 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.495 3.428 -1.251 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.087 5.327 -4.099 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.715 4.671 -2.584 1.00 0.00 H new ATOM 219 P DT A 8 4.955 7.832 -7.214 1.00 0.00 P ATOM 220 OP1 DT A 8 5.004 8.565 -8.505 1.00 0.00 O ATOM 221 OP2 DT A 8 6.030 8.043 -6.211 1.00 0.00 O ATOM 222 O5' DT A 8 3.558 8.159 -6.518 1.00 0.00 O ATOM 223 C5' DT A 8 2.362 7.489 -6.920 1.00 0.00 C ATOM 224 C4' DT A 8 1.171 8.044 -6.172 1.00 0.00 C ATOM 225 O4' DT A 8 0.978 7.252 -4.982 1.00 0.00 O ATOM 226 C3' DT A 8 1.313 9.486 -5.687 1.00 0.00 C ATOM 227 O3' DT A 8 0.622 10.385 -6.562 1.00 0.00 O ATOM 228 C2' DT A 8 0.653 9.489 -4.313 1.00 0.00 C ATOM 229 C1' DT A 8 0.309 8.034 -4.017 1.00 0.00 C ATOM 230 N1 DT A 8 0.738 7.575 -2.683 1.00 0.00 N ATOM 231 C2 DT A 8 -0.226 7.405 -1.714 1.00 0.00 C ATOM 232 O2 DT A 8 -1.414 7.593 -1.915 1.00 0.00 O ATOM 233 N3 DT A 8 0.252 7.002 -0.498 1.00 0.00 N ATOM 234 C4 DT A 8 1.564 6.755 -0.156 1.00 0.00 C ATOM 235 O4 DT A 8 1.840 6.398 0.985 1.00 0.00 O ATOM 236 C5 DT A 8 2.527 6.944 -1.217 1.00 0.00 C ATOM 237 C7 DT A 8 3.975 6.685 -0.925 1.00 0.00 C ATOM 238 C6 DT A 8 2.074 7.337 -2.422 1.00 0.00 C ATOM 0 H5' DT A 8 2.454 6.420 -6.728 1.00 0.00 H new ATOM 0 H5'' DT A 8 2.214 7.609 -7.993 1.00 0.00 H new ATOM 0 H4' DT A 8 0.348 8.014 -6.886 1.00 0.00 H new ATOM 0 H3' DT A 8 2.353 9.810 -5.659 1.00 0.00 H new ATOM 0 H2' DT A 8 1.325 9.894 -3.557 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.242 10.111 -4.310 1.00 0.00 H new ATOM 0 H1' DT A 8 -0.776 7.936 -4.046 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.440 6.869 0.239 1.00 0.00 H new ATOM 0 H71 DT A 8 4.475 6.348 -1.833 1.00 0.00 H new ATOM 0 H72 DT A 8 4.445 7.603 -0.572 1.00 0.00 H new ATOM 0 H73 DT A 8 4.059 5.916 -0.157 1.00 0.00 H new ATOM 0 H6 DT A 8 2.787 7.473 -3.222 1.00 0.00 H new ATOM 251 P DC A 9 0.723 11.973 -6.319 1.00 0.00 P ATOM 252 OP1 DC A 9 0.830 12.620 -7.650 1.00 0.00 O ATOM 253 OP2 DC A 9 1.767 12.228 -5.292 1.00 0.00 O ATOM 254 O5' DC A 9 -0.689 12.361 -5.692 1.00 0.00 O ATOM 255 C5' DC A 9 -1.897 11.775 -6.183 1.00 0.00 C ATOM 256 C4' DC A 9 -2.812 11.426 -5.032 1.00 0.00 C ATOM 257 O4' DC A 9 -2.014 10.920 -3.933 1.00 0.00 O ATOM 258 C3' DC A 9 -3.616 12.602 -4.466 1.00 0.00 C ATOM 259 O3' DC A 9 -4.965 12.197 -4.211 1.00 0.00 O ATOM 260 C2' DC A 9 -2.905 12.930 -3.164 1.00 0.00 C ATOM 261 C1' DC A 9 -2.399 11.570 -2.738 1.00 0.00 C ATOM 262 N1 DC A 9 -1.239 11.580 -1.829 1.00 0.00 N ATOM 263 C2 DC A 9 -1.462 11.411 -0.463 1.00 0.00 C ATOM 264 O2 DC A 9 -2.626 11.289 -0.059 1.00 0.00 O ATOM 265 N3 DC A 9 -0.410 11.389 0.384 1.00 0.00 N ATOM 266 C4 DC A 9 0.829 11.532 -0.090 1.00 0.00 C ATOM 267 N4 DC A 9 1.838 11.499 0.781 1.00 0.00 N ATOM 268 C5 DC A 9 1.090 11.715 -1.479 1.00 0.00 C ATOM 269 C6 DC A 9 0.034 11.736 -2.305 1.00 0.00 C ATOM 0 H5' DC A 9 -1.667 10.879 -6.759 1.00 0.00 H new ATOM 0 H5'' DC A 9 -2.398 12.468 -6.858 1.00 0.00 H new ATOM 0 H4' DC A 9 -3.517 10.702 -5.440 1.00 0.00 H new ATOM 0 H3' DC A 9 -3.667 13.453 -5.145 1.00 0.00 H new ATOM 0 H2' DC A 9 -2.092 13.642 -3.310 1.00 0.00 H new ATOM 0 H2'' DC A 9 -3.581 13.364 -2.427 1.00 0.00 H new ATOM 0 H1' DC A 9 -3.195 11.080 -2.178 1.00 0.00 H new ATOM 0 H41 DC A 9 2.798 11.605 0.453 1.00 0.00 H new ATOM 0 H42 DC A 9 1.650 11.368 1.775 1.00 0.00 H new ATOM 0 H5 DC A 9 2.097 11.832 -1.851 1.00 0.00 H new ATOM 0 H6 DC A 9 0.191 11.878 -3.364 1.00 0.00 H new ATOM 281 P DT A 10 -6.182 13.039 -4.838 1.00 0.00 P ATOM 282 OP1 DT A 10 -7.445 12.449 -4.322 1.00 0.00 O ATOM 283 OP2 DT A 10 -5.968 13.141 -6.304 1.00 0.00 O ATOM 284 O5' DT A 10 -6.014 14.493 -4.209 1.00 0.00 O ATOM 285 C5' DT A 10 -7.052 15.080 -3.424 1.00 0.00 C ATOM 286 C4' DT A 10 -6.523 16.280 -2.674 1.00 0.00 C ATOM 287 O4' DT A 10 -5.501 15.847 -1.755 1.00 0.00 O ATOM 288 C3' DT A 10 -5.848 17.341 -3.539 1.00 0.00 C ATOM 289 O3' DT A 10 -6.782 18.364 -3.900 1.00 0.00 O ATOM 290 C2' DT A 10 -4.762 17.908 -2.636 1.00 0.00 C ATOM 291 C1' DT A 10 -4.684 16.959 -1.446 1.00 0.00 C ATOM 292 N1 DT A 10 -3.328 16.463 -1.147 1.00 0.00 N ATOM 293 C2 DT A 10 -3.001 16.253 0.171 1.00 0.00 C ATOM 294 O2 DT A 10 -3.779 16.449 1.087 1.00 0.00 O ATOM 295 N3 DT A 10 -1.726 15.803 0.379 1.00 0.00 N ATOM 296 C4 DT A 10 -0.766 15.547 -0.575 1.00 0.00 C ATOM 297 O4 DT A 10 0.341 15.139 -0.232 1.00 0.00 O ATOM 298 C5 DT A 10 -1.175 15.791 -1.942 1.00 0.00 C ATOM 299 C7 DT A 10 -0.185 15.583 -3.045 1.00 0.00 C ATOM 300 C6 DT A 10 -2.422 16.227 -2.161 1.00 0.00 C ATOM 0 H5' DT A 10 -7.445 14.346 -2.720 1.00 0.00 H new ATOM 0 H5'' DT A 10 -7.879 15.380 -4.067 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.404 16.719 -2.206 1.00 0.00 H new ATOM 0 H3' DT A 10 -5.456 16.938 -4.473 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.807 17.962 -3.158 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.008 18.920 -2.315 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.006 17.513 -0.564 1.00 0.00 H new ATOM 0 H3 DT A 10 -1.456 15.639 1.349 1.00 0.00 H new ATOM 0 H71 DT A 10 -0.709 15.283 -3.953 1.00 0.00 H new ATOM 0 H72 DT A 10 0.356 16.511 -3.228 1.00 0.00 H new ATOM 0 H73 DT A 10 0.520 14.803 -2.759 1.00 0.00 H new ATOM 0 H6 DT A 10 -2.734 16.402 -3.180 1.00 0.00 H new ATOM 313 P DC A 11 -6.247 19.826 -4.312 1.00 0.00 P ATOM 314 OP1 DC A 11 -7.378 20.544 -4.953 1.00 0.00 O ATOM 315 OP2 DC A 11 -4.966 19.671 -5.048 1.00 0.00 O ATOM 316 O5' DC A 11 -5.942 20.532 -2.915 1.00 0.00 O ATOM 317 C5' DC A 11 -6.986 20.762 -1.967 1.00 0.00 C ATOM 318 C4' DC A 11 -6.456 20.646 -0.555 1.00 0.00 C ATOM 319 O4' DC A 11 -5.258 19.833 -0.549 1.00 0.00 O ATOM 320 C3' DC A 11 -6.069 21.976 0.103 1.00 0.00 C ATOM 321 O3' DC A 11 -6.734 22.098 1.367 1.00 0.00 O ATOM 322 C2' DC A 11 -4.563 21.882 0.290 1.00 0.00 C ATOM 323 C1' DC A 11 -4.336 20.390 0.362 1.00 0.00 C ATOM 324 N1 DC A 11 -2.992 19.932 -0.020 1.00 0.00 N ATOM 325 C2 DC A 11 -2.120 19.485 0.976 1.00 0.00 C ATOM 326 O2 DC A 11 -2.489 19.526 2.159 1.00 0.00 O ATOM 327 N3 DC A 11 -0.900 19.020 0.629 1.00 0.00 N ATOM 328 C4 DC A 11 -0.542 18.984 -0.656 1.00 0.00 C ATOM 329 N4 DC A 11 0.672 18.502 -0.941 1.00 0.00 N ATOM 330 C5 DC A 11 -1.409 19.445 -1.695 1.00 0.00 C ATOM 331 C6 DC A 11 -2.606 19.920 -1.331 1.00 0.00 C ATOM 0 H5' DC A 11 -7.789 20.041 -2.120 1.00 0.00 H new ATOM 0 H5'' DC A 11 -7.413 21.753 -2.121 1.00 0.00 H new ATOM 0 H4' DC A 11 -7.281 20.213 0.011 1.00 0.00 H new ATOM 0 H3' DC A 11 -6.352 22.846 -0.490 1.00 0.00 H new ATOM 0 H2' DC A 11 -4.022 22.335 -0.540 1.00 0.00 H new ATOM 0 H2'' DC A 11 -4.234 22.387 1.198 1.00 0.00 H new ATOM 0 H1' DC A 11 -4.456 20.083 1.401 1.00 0.00 H new ATOM 0 H41 DC A 11 0.988 18.456 -1.910 1.00 0.00 H new ATOM 0 H42 DC A 11 1.282 18.181 -0.190 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.110 19.411 -2.732 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.278 20.300 -2.086 1.00 0.00 H new ATOM 343 P DC A 12 -6.850 23.537 2.076 1.00 0.00 P ATOM 344 OP1 DC A 12 -8.237 24.033 1.896 1.00 0.00 O ATOM 345 OP2 DC A 12 -5.709 24.365 1.606 1.00 0.00 O ATOM 346 O5' DC A 12 -6.624 23.234 3.623 1.00 0.00 O ATOM 347 C5' DC A 12 -6.815 21.922 4.161 1.00 0.00 C ATOM 348 C4' DC A 12 -5.909 21.719 5.352 1.00 0.00 C ATOM 349 O4' DC A 12 -4.547 21.862 4.912 1.00 0.00 O ATOM 350 C3' DC A 12 -6.086 22.741 6.472 1.00 0.00 C ATOM 351 O3' DC A 12 -6.964 22.235 7.480 1.00 0.00 O ATOM 352 C2' DC A 12 -4.684 22.911 7.037 1.00 0.00 C ATOM 353 C1' DC A 12 -3.747 22.334 5.978 1.00 0.00 C ATOM 354 N1 DC A 12 -2.801 23.312 5.422 1.00 0.00 N ATOM 355 C2 DC A 12 -1.454 23.237 5.779 1.00 0.00 C ATOM 356 O2 DC A 12 -1.089 22.347 6.563 1.00 0.00 O ATOM 357 N3 DC A 12 -0.584 24.133 5.261 1.00 0.00 N ATOM 358 C4 DC A 12 -1.016 25.071 4.418 1.00 0.00 C ATOM 359 N4 DC A 12 -0.126 25.932 3.927 1.00 0.00 N ATOM 360 C5 DC A 12 -2.385 25.171 4.038 1.00 0.00 C ATOM 361 C6 DC A 12 -3.235 24.281 4.562 1.00 0.00 C ATOM 0 H5' DC A 12 -6.602 21.172 3.399 1.00 0.00 H new ATOM 0 H5'' DC A 12 -7.855 21.789 4.457 1.00 0.00 H new ATOM 0 H4' DC A 12 -6.161 20.734 5.745 1.00 0.00 H new ATOM 0 H3' DC A 12 -6.520 23.677 6.120 1.00 0.00 H new ATOM 0 H2' DC A 12 -4.462 23.961 7.228 1.00 0.00 H new ATOM 0 H2'' DC A 12 -4.576 22.385 7.986 1.00 0.00 H new ATOM 0 HO3' DC A 12 -7.065 22.902 8.191 1.00 0.00 H new ATOM 0 H1' DC A 12 -3.158 21.554 6.460 1.00 0.00 H new ATOM 0 H41 DC A 12 -0.425 26.661 3.280 1.00 0.00 H new ATOM 0 H42 DC A 12 0.855 25.862 4.198 1.00 0.00 H new ATOM 0 H5 DC A 12 -2.723 25.935 3.354 1.00 0.00 H new ATOM 0 H6 DC A 12 -4.282 24.329 4.301 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 8.381 22.397 9.049 1.00 0.00 O ATOM 376 C5' DG B 13 8.311 21.625 10.250 1.00 0.00 C ATOM 377 C4' DG B 13 7.257 20.548 10.139 1.00 0.00 C ATOM 378 O4' DG B 13 6.083 21.102 9.491 1.00 0.00 O ATOM 379 C3' DG B 13 7.657 19.335 9.295 1.00 0.00 C ATOM 380 O3' DG B 13 7.076 18.144 9.846 1.00 0.00 O ATOM 381 C2' DG B 13 7.060 19.668 7.941 1.00 0.00 C ATOM 382 C1' DG B 13 5.757 20.300 8.369 1.00 0.00 C ATOM 383 N9 DG B 13 5.127 21.149 7.364 1.00 0.00 N ATOM 384 C8 DG B 13 5.701 22.184 6.673 1.00 0.00 C ATOM 385 N7 DG B 13 4.884 22.760 5.835 1.00 0.00 N ATOM 386 C5 DG B 13 3.696 22.056 5.980 1.00 0.00 C ATOM 387 C6 DG B 13 2.445 22.220 5.329 1.00 0.00 C ATOM 388 O6 DG B 13 2.130 23.046 4.468 1.00 0.00 O ATOM 389 N1 DG B 13 1.508 21.290 5.775 1.00 0.00 N ATOM 390 C2 DG B 13 1.747 20.325 6.729 1.00 0.00 C ATOM 391 N2 DG B 13 0.729 19.505 7.047 1.00 0.00 N ATOM 392 N3 DG B 13 2.910 20.165 7.339 1.00 0.00 N ATOM 393 C4 DG B 13 3.830 21.059 6.920 1.00 0.00 C ATOM 0 H5' DG B 13 8.083 22.277 11.093 1.00 0.00 H new ATOM 0 H5'' DG B 13 9.281 21.171 10.452 1.00 0.00 H new ATOM 0 H4' DG B 13 7.091 20.213 11.163 1.00 0.00 H new ATOM 0 H3' DG B 13 8.730 19.151 9.252 1.00 0.00 H new ATOM 0 H2' DG B 13 7.685 20.353 7.368 1.00 0.00 H new ATOM 0 H2'' DG B 13 6.909 18.782 7.324 1.00 0.00 H new ATOM 0 HO5' DG B 13 7.509 22.385 8.601 1.00 0.00 H new ATOM 0 H1' DG B 13 5.037 19.506 8.566 1.00 0.00 H new ATOM 0 H8 DG B 13 6.727 22.492 6.809 1.00 0.00 H new ATOM 0 H1 DG B 13 0.575 21.326 5.364 1.00 0.00 H new ATOM 0 H21 DG B 13 0.861 18.776 7.748 1.00 0.00 H new ATOM 0 H22 DG B 13 -0.175 19.612 6.587 1.00 0.00 H new ATOM 406 P DG B 14 7.160 16.754 9.037 1.00 0.00 P ATOM 407 OP1 DG B 14 7.409 15.686 10.038 1.00 0.00 O ATOM 408 OP2 DG B 14 8.093 16.915 7.892 1.00 0.00 O ATOM 409 O5' DG B 14 5.685 16.546 8.466 1.00 0.00 O ATOM 410 C5' DG B 14 4.539 16.849 9.265 1.00 0.00 C ATOM 411 C4' DG B 14 3.379 15.954 8.891 1.00 0.00 C ATOM 412 O4' DG B 14 3.164 16.020 7.462 1.00 0.00 O ATOM 413 C3' DG B 14 3.565 14.469 9.225 1.00 0.00 C ATOM 414 O3' DG B 14 2.539 14.051 10.131 1.00 0.00 O ATOM 415 C2' DG B 14 3.425 13.754 7.887 1.00 0.00 C ATOM 416 C1' DG B 14 2.691 14.764 7.032 1.00 0.00 C ATOM 417 N9 DG B 14 2.930 14.660 5.596 1.00 0.00 N ATOM 418 C8 DG B 14 4.051 14.169 4.974 1.00 0.00 C ATOM 419 N7 DG B 14 3.989 14.232 3.673 1.00 0.00 N ATOM 420 C5 DG B 14 2.742 14.788 3.418 1.00 0.00 C ATOM 421 C6 DG B 14 2.107 15.091 2.187 1.00 0.00 C ATOM 422 O6 DG B 14 2.532 14.926 1.041 1.00 0.00 O ATOM 423 N1 DG B 14 0.845 15.642 2.384 1.00 0.00 N ATOM 424 C2 DG B 14 0.270 15.873 3.609 1.00 0.00 C ATOM 425 N2 DG B 14 -0.943 16.441 3.596 1.00 0.00 N ATOM 426 N3 DG B 14 0.844 15.582 4.763 1.00 0.00 N ATOM 427 C4 DG B 14 2.073 15.050 4.595 1.00 0.00 C ATOM 0 H5' DG B 14 4.259 17.893 9.128 1.00 0.00 H new ATOM 0 H5'' DG B 14 4.780 16.720 10.320 1.00 0.00 H new ATOM 0 H4' DG B 14 2.543 16.328 9.482 1.00 0.00 H new ATOM 0 H3' DG B 14 4.522 14.256 9.701 1.00 0.00 H new ATOM 0 H2' DG B 14 4.396 13.498 7.464 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.864 12.824 7.984 1.00 0.00 H new ATOM 0 H1' DG B 14 1.621 14.598 7.156 1.00 0.00 H new ATOM 0 H8 DG B 14 4.900 13.770 5.509 1.00 0.00 H new ATOM 0 H1 DG B 14 0.306 15.893 1.555 1.00 0.00 H new ATOM 0 H21 DG B 14 -1.423 16.638 4.474 1.00 0.00 H new ATOM 0 H22 DG B 14 -1.386 16.676 2.708 1.00 0.00 H new ATOM 439 P DA B 15 2.618 12.600 10.824 1.00 0.00 P ATOM 440 OP1 DA B 15 2.927 12.790 12.264 1.00 0.00 O ATOM 441 OP2 DA B 15 3.497 11.739 9.993 1.00 0.00 O ATOM 442 O5' DA B 15 1.131 12.044 10.703 1.00 0.00 O ATOM 443 C5' DA B 15 0.005 12.915 10.838 1.00 0.00 C ATOM 444 C4' DA B 15 -1.111 12.472 9.921 1.00 0.00 C ATOM 445 O4' DA B 15 -0.889 13.014 8.603 1.00 0.00 O ATOM 446 C3' DA B 15 -1.219 10.967 9.709 1.00 0.00 C ATOM 447 O3' DA B 15 -2.076 10.384 10.697 1.00 0.00 O ATOM 448 C2' DA B 15 -1.841 10.853 8.326 1.00 0.00 C ATOM 449 C1' DA B 15 -1.518 12.181 7.642 1.00 0.00 C ATOM 450 N9 DA B 15 -0.616 12.054 6.498 1.00 0.00 N ATOM 451 C8 DA B 15 0.693 11.644 6.499 1.00 0.00 C ATOM 452 N7 DA B 15 1.243 11.625 5.309 1.00 0.00 N ATOM 453 C5 DA B 15 0.226 12.051 4.466 1.00 0.00 C ATOM 454 C6 DA B 15 0.167 12.244 3.075 1.00 0.00 C ATOM 455 N6 DA B 15 1.196 12.024 2.254 1.00 0.00 N ATOM 456 N1 DA B 15 -1.000 12.676 2.549 1.00 0.00 N ATOM 457 C2 DA B 15 -2.032 12.897 3.377 1.00 0.00 C ATOM 458 N3 DA B 15 -2.097 12.753 4.697 1.00 0.00 N ATOM 459 C4 DA B 15 -0.923 12.321 5.186 1.00 0.00 C ATOM 0 H5' DA B 15 0.297 13.938 10.600 1.00 0.00 H new ATOM 0 H5'' DA B 15 -0.342 12.915 11.871 1.00 0.00 H new ATOM 0 H4' DA B 15 -2.018 12.824 10.413 1.00 0.00 H new ATOM 0 H3' DA B 15 -0.263 10.451 9.791 1.00 0.00 H new ATOM 0 H2' DA B 15 -1.424 10.011 7.773 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.917 10.692 8.388 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.456 12.588 7.264 1.00 0.00 H new ATOM 0 H8 DA B 15 1.222 11.363 7.398 1.00 0.00 H new ATOM 0 H61 DA B 15 1.092 12.182 1.252 1.00 0.00 H new ATOM 0 H62 DA B 15 2.087 11.697 2.629 1.00 0.00 H new ATOM 0 H2 DA B 15 -2.940 13.241 2.904 1.00 0.00 H new ATOM 471 P DG B 16 -1.786 8.896 11.236 1.00 0.00 P ATOM 472 OP1 DG B 16 -1.937 8.905 12.714 1.00 0.00 O ATOM 473 OP2 DG B 16 -0.513 8.423 10.633 1.00 0.00 O ATOM 474 O5' DG B 16 -2.968 8.022 10.622 1.00 0.00 O ATOM 475 C5' DG B 16 -4.198 8.626 10.215 1.00 0.00 C ATOM 476 C4' DG B 16 -4.633 8.075 8.877 1.00 0.00 C ATOM 477 O4' DG B 16 -3.711 8.538 7.860 1.00 0.00 O ATOM 478 C3' DG B 16 -4.641 6.544 8.781 1.00 0.00 C ATOM 479 O3' DG B 16 -5.846 6.092 8.152 1.00 0.00 O ATOM 480 C2' DG B 16 -3.438 6.227 7.910 1.00 0.00 C ATOM 481 C1' DG B 16 -3.355 7.452 7.028 1.00 0.00 C ATOM 482 N9 DG B 16 -2.034 7.722 6.468 1.00 0.00 N ATOM 483 C8 DG B 16 -0.839 7.788 7.142 1.00 0.00 C ATOM 484 N7 DG B 16 0.179 8.027 6.361 1.00 0.00 N ATOM 485 C5 DG B 16 -0.379 8.130 5.094 1.00 0.00 C ATOM 486 C6 DG B 16 0.231 8.377 3.835 1.00 0.00 C ATOM 487 O6 DG B 16 1.426 8.565 3.579 1.00 0.00 O ATOM 488 N1 DG B 16 -0.706 8.393 2.807 1.00 0.00 N ATOM 489 C2 DG B 16 -2.059 8.204 2.969 1.00 0.00 C ATOM 490 N2 DG B 16 -2.817 8.260 1.866 1.00 0.00 N ATOM 491 N3 DG B 16 -2.636 7.975 4.135 1.00 0.00 N ATOM 492 C4 DG B 16 -1.744 7.948 5.145 1.00 0.00 C ATOM 0 H5' DG B 16 -4.076 9.707 10.149 1.00 0.00 H new ATOM 0 H5'' DG B 16 -4.969 8.437 10.962 1.00 0.00 H new ATOM 0 H4' DG B 16 -5.657 8.424 8.742 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.596 6.058 9.756 1.00 0.00 H new ATOM 0 H2' DG B 16 -2.532 6.088 8.501 1.00 0.00 H new ATOM 0 H2'' DG B 16 -3.583 5.316 7.330 1.00 0.00 H new ATOM 0 H1' DG B 16 -4.007 7.296 6.168 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.751 7.656 8.210 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.364 8.558 1.860 1.00 0.00 H new ATOM 0 H21 DG B 16 -3.826 8.126 1.933 1.00 0.00 H new ATOM 0 H22 DG B 16 -2.385 8.436 0.959 1.00 0.00 H new ATOM 504 P DA B 17 -6.393 4.607 8.443 1.00 0.00 P ATOM 505 OP1 DA B 17 -7.715 4.725 9.108 1.00 0.00 O ATOM 506 OP2 DA B 17 -5.304 3.843 9.108 1.00 0.00 O ATOM 507 O5' DA B 17 -6.610 3.981 6.993 1.00 0.00 O ATOM 508 C5' DA B 17 -7.795 4.254 6.242 1.00 0.00 C ATOM 509 C4' DA B 17 -7.566 3.969 4.776 1.00 0.00 C ATOM 510 O4' DA B 17 -6.200 4.314 4.436 1.00 0.00 O ATOM 511 C3' DA B 17 -7.756 2.505 4.360 1.00 0.00 C ATOM 512 O3' DA B 17 -8.663 2.424 3.251 1.00 0.00 O ATOM 513 C2' DA B 17 -6.364 2.047 3.952 1.00 0.00 C ATOM 514 C1' DA B 17 -5.688 3.339 3.555 1.00 0.00 C ATOM 515 N9 DA B 17 -4.231 3.329 3.681 1.00 0.00 N ATOM 516 C8 DA B 17 -3.483 3.050 4.799 1.00 0.00 C ATOM 517 N7 DA B 17 -2.190 3.099 4.593 1.00 0.00 N ATOM 518 C5 DA B 17 -2.078 3.441 3.252 1.00 0.00 C ATOM 519 C6 DA B 17 -0.965 3.651 2.421 1.00 0.00 C ATOM 520 N6 DA B 17 0.298 3.557 2.840 1.00 0.00 N ATOM 521 N1 DA B 17 -1.197 3.973 1.129 1.00 0.00 N ATOM 522 C2 DA B 17 -2.467 4.085 0.715 1.00 0.00 C ATOM 523 N3 DA B 17 -3.594 3.920 1.404 1.00 0.00 N ATOM 524 C4 DA B 17 -3.327 3.591 2.680 1.00 0.00 C ATOM 0 H5' DA B 17 -8.086 5.296 6.375 1.00 0.00 H new ATOM 0 H5'' DA B 17 -8.618 3.643 6.614 1.00 0.00 H new ATOM 0 H4' DA B 17 -8.316 4.563 4.254 1.00 0.00 H new ATOM 0 H3' DA B 17 -8.176 1.889 5.155 1.00 0.00 H new ATOM 0 H2' DA B 17 -5.844 1.554 4.773 1.00 0.00 H new ATOM 0 H2'' DA B 17 -6.398 1.338 3.125 1.00 0.00 H new ATOM 0 H1' DA B 17 -5.889 3.524 2.500 1.00 0.00 H new ATOM 0 H8 DA B 17 -3.920 2.813 5.758 1.00 0.00 H new ATOM 0 H61 DA B 17 1.065 3.721 2.188 1.00 0.00 H new ATOM 0 H62 DA B 17 0.496 3.321 3.812 1.00 0.00 H new ATOM 0 H2 DA B 17 -2.594 4.346 -0.325 1.00 0.00 H new ATOM 536 P DC B 18 -8.921 1.011 2.524 1.00 0.00 P ATOM 537 OP1 DC B 18 -10.303 1.014 1.983 1.00 0.00 O ATOM 538 OP2 DC B 18 -8.499 -0.071 3.451 1.00 0.00 O ATOM 539 O5' DC B 18 -7.906 1.023 1.294 1.00 0.00 O ATOM 540 C5' DC B 18 -7.784 2.173 0.454 1.00 0.00 C ATOM 541 C4' DC B 18 -6.848 1.890 -0.698 1.00 0.00 C ATOM 542 O4' DC B 18 -5.485 2.091 -0.275 1.00 0.00 O ATOM 543 C3' DC B 18 -6.869 0.461 -1.235 1.00 0.00 C ATOM 544 O3' DC B 18 -7.856 0.329 -2.265 1.00 0.00 O ATOM 545 C2' DC B 18 -5.471 0.283 -1.809 1.00 0.00 C ATOM 546 C1' DC B 18 -4.637 1.401 -1.177 1.00 0.00 C ATOM 547 N1 DC B 18 -3.461 0.922 -0.430 1.00 0.00 N ATOM 548 C2 DC B 18 -2.200 1.017 -1.029 1.00 0.00 C ATOM 549 O2 DC B 18 -2.106 1.523 -2.156 1.00 0.00 O ATOM 550 N3 DC B 18 -1.117 0.555 -0.365 1.00 0.00 N ATOM 551 C4 DC B 18 -1.256 0.025 0.852 1.00 0.00 C ATOM 552 N4 DC B 18 -0.158 -0.414 1.469 1.00 0.00 N ATOM 553 C5 DC B 18 -2.527 -0.079 1.489 1.00 0.00 C ATOM 554 C6 DC B 18 -3.593 0.383 0.819 1.00 0.00 C ATOM 0 H5' DC B 18 -7.411 3.017 1.035 1.00 0.00 H new ATOM 0 H5'' DC B 18 -8.765 2.457 0.072 1.00 0.00 H new ATOM 0 H4' DC B 18 -7.195 2.566 -1.479 1.00 0.00 H new ATOM 0 H3' DC B 18 -7.117 -0.280 -0.476 1.00 0.00 H new ATOM 0 H2' DC B 18 -5.066 -0.699 -1.563 1.00 0.00 H new ATOM 0 H2'' DC B 18 -5.478 0.362 -2.896 1.00 0.00 H new ATOM 0 H1' DC B 18 -4.257 2.028 -1.983 1.00 0.00 H new ATOM 0 H41 DC B 18 -0.226 -0.825 2.400 1.00 0.00 H new ATOM 0 H42 DC B 18 0.750 -0.339 1.010 1.00 0.00 H new ATOM 0 H5 DC B 18 -2.628 -0.513 2.473 1.00 0.00 H new ATOM 0 H6 DC B 18 -4.571 0.328 1.274 1.00 0.00 H new ATOM 566 P DC B 19 -8.314 -1.136 -2.749 1.00 0.00 P ATOM 567 OP1 DC B 19 -9.179 -0.957 -3.943 1.00 0.00 O ATOM 568 OP2 DC B 19 -8.836 -1.873 -1.570 1.00 0.00 O ATOM 569 O5' DC B 19 -6.955 -1.832 -3.208 1.00 0.00 O ATOM 570 C5' DC B 19 -6.543 -1.820 -4.577 1.00 0.00 C ATOM 571 C4' DC B 19 -5.690 -3.032 -4.876 1.00 0.00 C ATOM 572 O4' DC B 19 -4.320 -2.742 -4.532 1.00 0.00 O ATOM 573 C3' DC B 19 -6.040 -4.283 -4.080 1.00 0.00 C ATOM 574 O3' DC B 19 -7.015 -5.058 -4.788 1.00 0.00 O ATOM 575 C2' DC B 19 -4.714 -5.023 -3.990 1.00 0.00 C ATOM 576 C1' DC B 19 -3.649 -3.944 -4.182 1.00 0.00 C ATOM 577 N1 DC B 19 -2.834 -3.666 -2.988 1.00 0.00 N ATOM 578 C2 DC B 19 -1.444 -3.761 -3.086 1.00 0.00 C ATOM 579 O2 DC B 19 -0.939 -4.090 -4.167 1.00 0.00 O ATOM 580 N3 DC B 19 -0.683 -3.492 -2.001 1.00 0.00 N ATOM 581 C4 DC B 19 -1.264 -3.147 -0.849 1.00 0.00 C ATOM 582 N4 DC B 19 -0.474 -2.894 0.195 1.00 0.00 N ATOM 583 C5 DC B 19 -2.680 -3.045 -0.719 1.00 0.00 C ATOM 584 C6 DC B 19 -3.420 -3.313 -1.804 1.00 0.00 C ATOM 0 H5' DC B 19 -5.981 -0.910 -4.787 1.00 0.00 H new ATOM 0 H5'' DC B 19 -7.418 -1.812 -5.228 1.00 0.00 H new ATOM 0 H4' DC B 19 -5.862 -3.232 -5.934 1.00 0.00 H new ATOM 0 H3' DC B 19 -6.470 -4.072 -3.101 1.00 0.00 H new ATOM 0 H2' DC B 19 -4.604 -5.520 -3.026 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.639 -5.794 -4.757 1.00 0.00 H new ATOM 0 H1' DC B 19 -2.965 -4.309 -4.948 1.00 0.00 H new ATOM 0 H41 DC B 19 -0.882 -2.628 1.091 1.00 0.00 H new ATOM 0 H42 DC B 19 0.539 -2.967 0.098 1.00 0.00 H new ATOM 0 H5 DC B 19 -3.139 -2.763 0.217 1.00 0.00 H new ATOM 0 H6 DC B 19 -4.496 -3.249 -1.742 1.00 0.00 H new ATOM 596 P DA B 20 -7.403 -6.529 -4.268 1.00 0.00 P ATOM 597 OP1 DA B 20 -8.824 -6.765 -4.633 1.00 0.00 O ATOM 598 OP2 DA B 20 -6.979 -6.662 -2.851 1.00 0.00 O ATOM 599 O5' DA B 20 -6.502 -7.499 -5.156 1.00 0.00 O ATOM 600 C5' DA B 20 -6.358 -7.289 -6.563 1.00 0.00 C ATOM 601 C4' DA B 20 -5.014 -7.792 -7.034 1.00 0.00 C ATOM 602 O4' DA B 20 -3.993 -7.333 -6.115 1.00 0.00 O ATOM 603 C3' DA B 20 -4.878 -9.315 -7.087 1.00 0.00 C ATOM 604 O3' DA B 20 -4.049 -9.707 -8.187 1.00 0.00 O ATOM 605 C2' DA B 20 -4.210 -9.653 -5.767 1.00 0.00 C ATOM 606 C1' DA B 20 -3.341 -8.435 -5.504 1.00 0.00 C ATOM 607 N9 DA B 20 -3.170 -8.129 -4.085 1.00 0.00 N ATOM 608 C8 DA B 20 -4.151 -8.073 -3.126 1.00 0.00 C ATOM 609 N7 DA B 20 -3.702 -7.794 -1.928 1.00 0.00 N ATOM 610 C5 DA B 20 -2.334 -7.652 -2.109 1.00 0.00 C ATOM 611 C6 DA B 20 -1.293 -7.357 -1.217 1.00 0.00 C ATOM 612 N6 DA B 20 -1.481 -7.131 0.081 1.00 0.00 N ATOM 613 N1 DA B 20 -0.038 -7.297 -1.710 1.00 0.00 N ATOM 614 C2 DA B 20 0.144 -7.506 -3.021 1.00 0.00 C ATOM 615 N3 DA B 20 -0.757 -7.784 -3.962 1.00 0.00 N ATOM 616 C4 DA B 20 -1.992 -7.850 -3.433 1.00 0.00 C ATOM 0 H5' DA B 20 -6.457 -6.228 -6.791 1.00 0.00 H new ATOM 0 H5'' DA B 20 -7.155 -7.806 -7.098 1.00 0.00 H new ATOM 0 H4' DA B 20 -4.907 -7.408 -8.048 1.00 0.00 H new ATOM 0 H3' DA B 20 -5.831 -9.826 -7.227 1.00 0.00 H new ATOM 0 H2' DA B 20 -4.940 -9.807 -4.973 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.617 -10.565 -5.836 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.347 -8.635 -5.903 1.00 0.00 H new ATOM 0 H8 DA B 20 -5.196 -8.243 -3.340 1.00 0.00 H new ATOM 0 H61 DA B 20 -0.685 -6.921 0.683 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.421 -7.168 0.474 1.00 0.00 H new ATOM 0 H2 DA B 20 1.166 -7.440 -3.363 1.00 0.00 H new ATOM 628 P DG B 21 -3.920 -11.264 -8.577 1.00 0.00 P ATOM 629 OP1 DG B 21 -4.405 -11.432 -9.970 1.00 0.00 O ATOM 630 OP2 DG B 21 -4.532 -12.066 -7.485 1.00 0.00 O ATOM 631 O5' DG B 21 -2.349 -11.532 -8.563 1.00 0.00 O ATOM 632 C5' DG B 21 -1.462 -10.735 -9.348 1.00 0.00 C ATOM 633 C4' DG B 21 -0.043 -10.893 -8.857 1.00 0.00 C ATOM 634 O4' DG B 21 0.130 -10.122 -7.644 1.00 0.00 O ATOM 635 C3' DG B 21 0.360 -12.316 -8.482 1.00 0.00 C ATOM 636 O3' DG B 21 0.882 -13.009 -9.621 1.00 0.00 O ATOM 637 C2' DG B 21 1.438 -12.082 -7.442 1.00 0.00 C ATOM 638 C1' DG B 21 0.922 -10.851 -6.711 1.00 0.00 C ATOM 639 N9 DG B 21 0.089 -11.152 -5.550 1.00 0.00 N ATOM 640 C8 DG B 21 -1.228 -11.541 -5.552 1.00 0.00 C ATOM 641 N7 DG B 21 -1.705 -11.752 -4.356 1.00 0.00 N ATOM 642 C5 DG B 21 -0.636 -11.483 -3.511 1.00 0.00 C ATOM 643 C6 DG B 21 -0.544 -11.543 -2.095 1.00 0.00 C ATOM 644 O6 DG B 21 -1.417 -11.853 -1.276 1.00 0.00 O ATOM 645 N1 DG B 21 0.728 -11.192 -1.651 1.00 0.00 N ATOM 646 C2 DG B 21 1.771 -10.828 -2.461 1.00 0.00 C ATOM 647 N2 DG B 21 2.914 -10.518 -1.843 1.00 0.00 N ATOM 648 N3 DG B 21 1.702 -10.771 -3.778 1.00 0.00 N ATOM 649 C4 DG B 21 0.477 -11.110 -4.233 1.00 0.00 C ATOM 0 H5' DG B 21 -1.759 -9.688 -9.293 1.00 0.00 H new ATOM 0 H5'' DG B 21 -1.527 -11.030 -10.395 1.00 0.00 H new ATOM 0 H4' DG B 21 0.572 -10.566 -9.696 1.00 0.00 H new ATOM 0 H3' DG B 21 -0.465 -12.929 -8.121 1.00 0.00 H new ATOM 0 H2' DG B 21 1.550 -12.935 -6.773 1.00 0.00 H new ATOM 0 H2'' DG B 21 2.412 -11.905 -7.898 1.00 0.00 H new ATOM 0 H1' DG B 21 1.785 -10.299 -6.338 1.00 0.00 H new ATOM 0 H8 DG B 21 -1.811 -11.660 -6.453 1.00 0.00 H new ATOM 0 H1 DG B 21 0.896 -11.207 -0.645 1.00 0.00 H new ATOM 0 H21 DG B 21 3.729 -10.239 -2.389 1.00 0.00 H new ATOM 0 H22 DG B 21 2.971 -10.561 -0.826 1.00 0.00 H new ATOM 661 P DA B 22 0.686 -14.601 -9.747 1.00 0.00 P ATOM 662 OP1 DA B 22 1.072 -14.985 -11.129 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.665 -14.952 -9.240 1.00 0.00 O ATOM 664 O5' DA B 22 1.768 -15.201 -8.745 1.00 0.00 O ATOM 665 C5' DA B 22 3.102 -14.693 -8.715 1.00 0.00 C ATOM 666 C4' DA B 22 3.778 -15.083 -7.421 1.00 0.00 C ATOM 667 O4' DA B 22 3.255 -14.283 -6.336 1.00 0.00 O ATOM 668 C3' DA B 22 3.546 -16.523 -6.986 1.00 0.00 C ATOM 669 O3' DA B 22 4.511 -17.386 -7.595 1.00 0.00 O ATOM 670 C2' DA B 22 3.748 -16.444 -5.484 1.00 0.00 C ATOM 671 C1' DA B 22 3.218 -15.055 -5.140 1.00 0.00 C ATOM 672 N9 DA B 22 1.843 -15.044 -4.638 1.00 0.00 N ATOM 673 C8 DA B 22 0.676 -14.981 -5.360 1.00 0.00 C ATOM 674 N7 DA B 22 -0.405 -14.981 -4.617 1.00 0.00 N ATOM 675 C5 DA B 22 0.082 -15.050 -3.319 1.00 0.00 C ATOM 676 C6 DA B 22 -0.558 -15.081 -2.067 1.00 0.00 C ATOM 677 N6 DA B 22 -1.883 -15.049 -1.911 1.00 0.00 N ATOM 678 N1 DA B 22 0.220 -15.150 -0.965 1.00 0.00 N ATOM 679 C2 DA B 22 1.552 -15.184 -1.123 1.00 0.00 C ATOM 680 N3 DA B 22 2.268 -15.160 -2.243 1.00 0.00 N ATOM 681 C4 DA B 22 1.464 -15.090 -3.318 1.00 0.00 C ATOM 0 H5' DA B 22 3.088 -13.608 -8.814 1.00 0.00 H new ATOM 0 H5'' DA B 22 3.667 -15.083 -9.561 1.00 0.00 H new ATOM 0 H4' DA B 22 4.839 -14.934 -7.620 1.00 0.00 H new ATOM 0 H3' DA B 22 2.572 -16.924 -7.268 1.00 0.00 H new ATOM 0 H2' DA B 22 3.199 -17.227 -4.961 1.00 0.00 H new ATOM 0 H2'' DA B 22 4.798 -16.555 -5.211 1.00 0.00 H new ATOM 0 H1' DA B 22 3.844 -14.656 -4.341 1.00 0.00 H new ATOM 0 H8 DA B 22 0.651 -14.936 -6.439 1.00 0.00 H new ATOM 0 H61 DA B 22 -2.287 -15.074 -0.975 1.00 0.00 H new ATOM 0 H62 DA B 22 -2.492 -14.999 -2.728 1.00 0.00 H new ATOM 0 H2 DA B 22 2.125 -15.239 -0.209 1.00 0.00 H new ATOM 693 P DG B 23 4.025 -18.703 -8.383 1.00 0.00 P ATOM 694 OP1 DG B 23 4.665 -18.673 -9.723 1.00 0.00 O ATOM 695 OP2 DG B 23 2.549 -18.815 -8.279 1.00 0.00 O ATOM 696 O5' DG B 23 4.675 -19.899 -7.558 1.00 0.00 O ATOM 697 C5' DG B 23 5.787 -19.675 -6.690 1.00 0.00 C ATOM 698 C4' DG B 23 5.496 -20.234 -5.317 1.00 0.00 C ATOM 699 O4' DG B 23 4.646 -19.321 -4.598 1.00 0.00 O ATOM 700 C3' DG B 23 4.733 -21.552 -5.304 1.00 0.00 C ATOM 701 O3' DG B 23 5.640 -22.653 -5.417 1.00 0.00 O ATOM 702 C2' DG B 23 4.064 -21.535 -3.942 1.00 0.00 C ATOM 703 C1' DG B 23 3.910 -20.045 -3.622 1.00 0.00 C ATOM 704 N9 DG B 23 2.531 -19.571 -3.650 1.00 0.00 N ATOM 705 C8 DG B 23 1.813 -19.159 -4.747 1.00 0.00 C ATOM 706 N7 DG B 23 0.592 -18.799 -4.457 1.00 0.00 N ATOM 707 C5 DG B 23 0.500 -18.984 -3.084 1.00 0.00 C ATOM 708 C6 DG B 23 -0.587 -18.766 -2.198 1.00 0.00 C ATOM 709 O6 DG B 23 -1.722 -18.350 -2.457 1.00 0.00 O ATOM 710 N1 DG B 23 -0.250 -19.086 -0.887 1.00 0.00 N ATOM 711 C2 DG B 23 0.980 -19.554 -0.479 1.00 0.00 C ATOM 712 N2 DG B 23 1.137 -19.812 0.830 1.00 0.00 N ATOM 713 N3 DG B 23 1.998 -19.757 -1.296 1.00 0.00 N ATOM 714 C4 DG B 23 1.689 -19.456 -2.572 1.00 0.00 C ATOM 0 H5' DG B 23 5.994 -18.607 -6.620 1.00 0.00 H new ATOM 0 H5'' DG B 23 6.680 -20.146 -7.101 1.00 0.00 H new ATOM 0 H4' DG B 23 6.482 -20.386 -4.877 1.00 0.00 H new ATOM 0 H3' DG B 23 4.027 -21.661 -6.128 1.00 0.00 H new ATOM 0 H2' DG B 23 3.098 -22.040 -3.966 1.00 0.00 H new ATOM 0 H2'' DG B 23 4.671 -22.043 -3.193 1.00 0.00 H new ATOM 0 H1' DG B 23 4.273 -19.892 -2.606 1.00 0.00 H new ATOM 0 H8 DG B 23 2.218 -19.135 -5.748 1.00 0.00 H new ATOM 0 H1 DG B 23 -0.968 -18.965 -0.173 1.00 0.00 H new ATOM 0 H21 DG B 23 2.031 -20.160 1.178 1.00 0.00 H new ATOM 0 H22 DG B 23 0.363 -19.660 1.476 1.00 0.00 H new ATOM 726 P DG B 24 5.275 -23.899 -6.367 1.00 0.00 P ATOM 727 OP1 DG B 24 6.482 -24.238 -7.163 1.00 0.00 O ATOM 728 OP2 DG B 24 3.998 -23.599 -7.064 1.00 0.00 O ATOM 729 O5' DG B 24 5.004 -25.092 -5.344 1.00 0.00 O ATOM 730 C5' DG B 24 5.913 -25.363 -4.275 1.00 0.00 C ATOM 731 C4' DG B 24 5.161 -25.514 -2.974 1.00 0.00 C ATOM 732 O4' DG B 24 4.215 -24.431 -2.835 1.00 0.00 O ATOM 733 C3' DG B 24 4.320 -26.780 -2.853 1.00 0.00 C ATOM 734 O3' DG B 24 5.099 -27.865 -2.340 1.00 0.00 O ATOM 735 C2' DG B 24 3.247 -26.374 -1.860 1.00 0.00 C ATOM 736 C1' DG B 24 3.079 -24.875 -2.102 1.00 0.00 C ATOM 737 N9 DG B 24 1.885 -24.526 -2.866 1.00 0.00 N ATOM 738 C8 DG B 24 1.754 -24.484 -4.232 1.00 0.00 C ATOM 739 N7 DG B 24 0.556 -24.146 -4.625 1.00 0.00 N ATOM 740 C5 DG B 24 -0.147 -23.950 -3.444 1.00 0.00 C ATOM 741 C6 DG B 24 -1.499 -23.572 -3.228 1.00 0.00 C ATOM 742 O6 DG B 24 -2.375 -23.327 -4.066 1.00 0.00 O ATOM 743 N1 DG B 24 -1.797 -23.491 -1.873 1.00 0.00 N ATOM 744 C2 DG B 24 -0.913 -23.742 -0.856 1.00 0.00 C ATOM 745 N2 DG B 24 -1.395 -23.612 0.382 1.00 0.00 N ATOM 746 N3 DG B 24 0.347 -24.094 -1.040 1.00 0.00 N ATOM 747 C4 DG B 24 0.659 -24.179 -2.349 1.00 0.00 C ATOM 0 H5' DG B 24 6.639 -24.554 -4.192 1.00 0.00 H new ATOM 0 H5'' DG B 24 6.473 -26.274 -4.487 1.00 0.00 H new ATOM 0 H4' DG B 24 5.944 -25.535 -2.216 1.00 0.00 H new ATOM 0 H3' DG B 24 3.923 -27.127 -3.807 1.00 0.00 H new ATOM 0 H2' DG B 24 2.316 -26.914 -2.033 1.00 0.00 H new ATOM 0 H2'' DG B 24 3.551 -26.583 -0.834 1.00 0.00 H new ATOM 0 HO3' DG B 24 4.538 -28.666 -2.269 1.00 0.00 H new ATOM 0 H1' DG B 24 2.979 -24.398 -1.127 1.00 0.00 H new ATOM 0 H8 DG B 24 2.561 -24.708 -4.913 1.00 0.00 H new ATOM 0 H1 DG B 24 -2.747 -23.224 -1.615 1.00 0.00 H new ATOM 0 H21 DG B 24 -0.790 -23.784 1.185 1.00 0.00 H new ATOM 0 H22 DG B 24 -2.368 -23.341 0.525 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 4.634 1.328 -0.847 1.00 0.00 PT HETATM 762 N1 1PT A 13 4.958 2.997 0.255 1.00 0.00 N HETATM 763 N2 1PT A 13 5.493 0.331 0.693 1.00 0.00 N HETATM 764 C1 1PT A 13 5.317 2.568 1.694 1.00 0.00 C HETATM 765 C2 1PT A 13 6.223 1.355 1.586 1.00 0.00 C HETATM 766 C3 1PT A 13 6.559 0.814 2.935 1.00 0.00 C HETATM 767 C4 1PT A 13 7.301 1.895 3.803 1.00 0.00 C HETATM 768 C5 1PT A 13 6.341 3.185 3.865 1.00 0.00 C HETATM 769 C6 1PT A 13 5.974 3.666 2.480 1.00 0.00 C HETATM 0 H62 1PT A 13 6.869 4.008 1.959 1.00 0.00 H new HETATM 0 H61 1PT A 13 5.301 4.521 2.553 1.00 0.00 H new HETATM 0 H52 1PT A 13 5.435 2.940 4.419 1.00 0.00 H new HETATM 0 H51 1PT A 13 6.840 3.986 4.410 1.00 0.00 H new HETATM 0 H42 1PT A 13 7.502 1.515 4.805 1.00 0.00 H new HETATM 0 H41 1PT A 13 8.264 2.151 3.361 1.00 0.00 H new HETATM 0 H32 1PT A 13 5.647 0.498 3.442 1.00 0.00 H new HETATM 0 H31 1PT A 13 7.189 -0.070 2.831 1.00 0.00 H new HETATM 0 H2 1PT A 13 7.182 1.613 1.136 1.00 0.00 H new HETATM 0 H1 1PT A 13 4.404 2.329 2.240 1.00 0.00 H new