USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=7 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 180:sc= -0.166 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.883 (180deg=-2.31!) USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.211 (180deg=-0.211) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.00123) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-1.86!) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= 0 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.974 -16.374 1.704 1.00 0.00 O ATOM 2 C5' DC A 1 -10.335 -17.476 2.543 1.00 0.00 C ATOM 3 C4' DC A 1 -9.173 -17.908 3.409 1.00 0.00 C ATOM 4 O4' DC A 1 -8.255 -18.689 2.607 1.00 0.00 O ATOM 5 C3' DC A 1 -8.344 -16.767 3.995 1.00 0.00 C ATOM 6 O3' DC A 1 -7.828 -17.136 5.278 1.00 0.00 O ATOM 7 C2' DC A 1 -7.218 -16.600 2.992 1.00 0.00 C ATOM 8 C1' DC A 1 -7.019 -18.008 2.450 1.00 0.00 C ATOM 9 N1 DC A 1 -6.653 -18.067 1.025 1.00 0.00 N ATOM 10 C2 DC A 1 -5.614 -18.915 0.627 1.00 0.00 C ATOM 11 O2 DC A 1 -5.022 -19.586 1.485 1.00 0.00 O ATOM 12 N3 DC A 1 -5.279 -18.979 -0.682 1.00 0.00 N ATOM 13 C4 DC A 1 -5.934 -18.236 -1.575 1.00 0.00 C ATOM 14 N4 DC A 1 -5.568 -18.326 -2.854 1.00 0.00 N ATOM 15 C5 DC A 1 -6.996 -17.363 -1.198 1.00 0.00 C ATOM 16 C6 DC A 1 -7.319 -17.313 0.100 1.00 0.00 C ATOM 0 H5' DC A 1 -10.664 -18.313 1.927 1.00 0.00 H new ATOM 0 H5'' DC A 1 -11.178 -17.195 3.175 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.627 -18.456 4.235 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.917 -15.852 4.147 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.485 -15.899 2.201 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.312 -16.219 3.464 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.743 -16.116 1.154 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.191 -18.454 3.001 1.00 0.00 H new ATOM 0 H41 DC A 1 -6.049 -17.771 -3.562 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.807 -18.950 -3.124 1.00 0.00 H new ATOM 0 H5 DC A 1 -7.519 -16.766 -1.930 1.00 0.00 H new ATOM 0 H6 DC A 1 -8.121 -16.665 0.422 1.00 0.00 H new ATOM 29 P DC A 2 -7.730 -16.037 6.447 1.00 0.00 P ATOM 30 OP1 DC A 2 -7.530 -16.755 7.732 1.00 0.00 O ATOM 31 OP2 DC A 2 -8.883 -15.110 6.299 1.00 0.00 O ATOM 32 O5' DC A 2 -6.399 -15.228 6.107 1.00 0.00 O ATOM 33 C5' DC A 2 -5.314 -15.171 7.037 1.00 0.00 C ATOM 34 C4' DC A 2 -4.025 -14.846 6.319 1.00 0.00 C ATOM 35 O4' DC A 2 -4.008 -15.498 5.032 1.00 0.00 O ATOM 36 C3' DC A 2 -3.810 -13.372 6.001 1.00 0.00 C ATOM 37 O3' DC A 2 -3.181 -12.707 7.105 1.00 0.00 O ATOM 38 C2' DC A 2 -2.883 -13.416 4.798 1.00 0.00 C ATOM 39 C1' DC A 2 -3.158 -14.775 4.152 1.00 0.00 C ATOM 40 N1 DC A 2 -3.824 -14.696 2.842 1.00 0.00 N ATOM 41 C2 DC A 2 -3.162 -15.203 1.721 1.00 0.00 C ATOM 42 O2 DC A 2 -2.036 -15.701 1.864 1.00 0.00 O ATOM 43 N3 DC A 2 -3.761 -15.137 0.512 1.00 0.00 N ATOM 44 C4 DC A 2 -4.973 -14.590 0.397 1.00 0.00 C ATOM 45 N4 DC A 2 -5.526 -14.550 -0.814 1.00 0.00 N ATOM 46 C5 DC A 2 -5.671 -14.062 1.523 1.00 0.00 C ATOM 47 C6 DC A 2 -5.066 -14.137 2.715 1.00 0.00 C ATOM 0 H5' DC A 2 -5.219 -16.126 7.555 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.516 -14.415 7.796 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.251 -15.178 7.011 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.735 -12.829 5.811 1.00 0.00 H new ATOM 0 H2' DC A 2 -3.090 -12.599 4.107 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.839 -13.323 5.098 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.194 -15.255 3.984 1.00 0.00 H new ATOM 0 H41 DC A 2 -6.451 -14.139 -0.939 1.00 0.00 H new ATOM 0 H42 DC A 2 -5.024 -14.930 -1.617 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.650 -13.619 1.418 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.567 -13.750 3.590 1.00 0.00 H new ATOM 59 P DT A 3 -2.618 -11.211 6.922 1.00 0.00 P ATOM 60 OP1 DT A 3 -2.534 -10.580 8.264 1.00 0.00 O ATOM 61 OP2 DT A 3 -3.411 -10.555 5.851 1.00 0.00 O ATOM 62 O5' DT A 3 -1.135 -11.421 6.375 1.00 0.00 O ATOM 63 C5' DT A 3 -0.286 -12.431 6.924 1.00 0.00 C ATOM 64 C4' DT A 3 0.857 -12.723 5.979 1.00 0.00 C ATOM 65 O4' DT A 3 0.315 -13.092 4.688 1.00 0.00 O ATOM 66 C3' DT A 3 1.800 -11.543 5.727 1.00 0.00 C ATOM 67 O3' DT A 3 3.161 -11.980 5.773 1.00 0.00 O ATOM 68 C2' DT A 3 1.440 -11.074 4.328 1.00 0.00 C ATOM 69 C1' DT A 3 0.938 -12.337 3.667 1.00 0.00 C ATOM 70 N1 DT A 3 -0.051 -12.116 2.600 1.00 0.00 N ATOM 71 C2 DT A 3 0.270 -12.487 1.315 1.00 0.00 C ATOM 72 O2 DT A 3 1.339 -12.990 1.016 1.00 0.00 O ATOM 73 N3 DT A 3 -0.711 -12.248 0.390 1.00 0.00 N ATOM 74 C4 DT A 3 -1.950 -11.687 0.616 1.00 0.00 C ATOM 75 O4 DT A 3 -2.726 -11.529 -0.321 1.00 0.00 O ATOM 76 C5 DT A 3 -2.220 -11.322 1.988 1.00 0.00 C ATOM 77 C7 DT A 3 -3.544 -10.712 2.328 1.00 0.00 C ATOM 78 C6 DT A 3 -1.267 -11.550 2.903 1.00 0.00 C ATOM 0 H5' DT A 3 -0.860 -13.340 7.104 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.104 -12.104 7.888 1.00 0.00 H new ATOM 0 H4' DT A 3 1.432 -13.514 6.460 1.00 0.00 H new ATOM 0 H3' DT A 3 1.698 -10.754 6.472 1.00 0.00 H new ATOM 0 H2' DT A 3 0.676 -10.297 4.347 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.303 -10.660 3.806 1.00 0.00 H new ATOM 0 H1' DT A 3 1.788 -12.829 3.194 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.502 -12.514 -0.572 1.00 0.00 H new ATOM 0 H71 DT A 3 -3.918 -10.152 1.471 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.253 -11.500 2.584 1.00 0.00 H new ATOM 0 H73 DT A 3 -3.427 -10.039 3.178 1.00 0.00 H new ATOM 0 H6 DT A 3 -1.464 -11.276 3.929 1.00 0.00 H new ATOM 91 P DC A 4 4.225 -11.186 6.678 1.00 0.00 P ATOM 92 OP1 DC A 4 5.417 -12.060 6.828 1.00 0.00 O ATOM 93 OP2 DC A 4 3.531 -10.679 7.889 1.00 0.00 O ATOM 94 O5' DC A 4 4.637 -9.936 5.779 1.00 0.00 O ATOM 95 C5' DC A 4 5.590 -10.074 4.725 1.00 0.00 C ATOM 96 C4' DC A 4 5.412 -8.968 3.710 1.00 0.00 C ATOM 97 O4' DC A 4 4.362 -9.322 2.791 1.00 0.00 O ATOM 98 C3' DC A 4 4.981 -7.618 4.274 1.00 0.00 C ATOM 99 O3' DC A 4 6.130 -6.836 4.625 1.00 0.00 O ATOM 100 C2' DC A 4 4.221 -6.981 3.117 1.00 0.00 C ATOM 101 C1' DC A 4 3.914 -8.134 2.162 1.00 0.00 C ATOM 102 N1 DC A 4 2.486 -8.298 1.843 1.00 0.00 N ATOM 103 C2 DC A 4 2.113 -8.472 0.510 1.00 0.00 C ATOM 104 O2 DC A 4 2.994 -8.495 -0.359 1.00 0.00 O ATOM 105 N3 DC A 4 0.806 -8.612 0.201 1.00 0.00 N ATOM 106 C4 DC A 4 -0.113 -8.584 1.167 1.00 0.00 C ATOM 107 N4 DC A 4 -1.392 -8.717 0.813 1.00 0.00 N ATOM 108 C5 DC A 4 0.237 -8.415 2.537 1.00 0.00 C ATOM 109 C6 DC A 4 1.537 -8.277 2.828 1.00 0.00 C ATOM 0 H5' DC A 4 5.470 -11.044 4.242 1.00 0.00 H new ATOM 0 H5'' DC A 4 6.600 -10.044 5.133 1.00 0.00 H new ATOM 0 H4' DC A 4 6.401 -8.866 3.264 1.00 0.00 H new ATOM 0 H3' DC A 4 4.381 -7.698 5.180 1.00 0.00 H new ATOM 0 H2' DC A 4 3.306 -6.501 3.463 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.819 -6.212 2.628 1.00 0.00 H new ATOM 0 H1' DC A 4 4.415 -7.918 1.219 1.00 0.00 H new ATOM 0 H41 DC A 4 -2.123 -8.700 1.525 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.640 -8.835 -0.169 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.516 -8.399 3.311 1.00 0.00 H new ATOM 0 H6 DC A 4 1.841 -8.147 3.856 1.00 0.00 H new ATOM 121 P DT A 5 5.978 -5.253 4.871 1.00 0.00 P ATOM 122 OP1 DT A 5 7.100 -4.805 5.732 1.00 0.00 O ATOM 123 OP2 DT A 5 4.578 -4.991 5.294 1.00 0.00 O ATOM 124 O5' DT A 5 6.178 -4.619 3.422 1.00 0.00 O ATOM 125 C5' DT A 5 7.227 -5.069 2.561 1.00 0.00 C ATOM 126 C4' DT A 5 6.985 -4.595 1.147 1.00 0.00 C ATOM 127 O4' DT A 5 5.694 -5.082 0.708 1.00 0.00 O ATOM 128 C3' DT A 5 6.955 -3.074 0.973 1.00 0.00 C ATOM 129 O3' DT A 5 7.705 -2.691 -0.186 1.00 0.00 O ATOM 130 C2' DT A 5 5.484 -2.749 0.789 1.00 0.00 C ATOM 131 C1' DT A 5 4.913 -4.020 0.191 1.00 0.00 C ATOM 132 N1 DT A 5 3.505 -4.283 0.543 1.00 0.00 N ATOM 133 C2 DT A 5 2.611 -4.553 -0.469 1.00 0.00 C ATOM 134 O2 DT A 5 2.923 -4.573 -1.648 1.00 0.00 O ATOM 135 N3 DT A 5 1.331 -4.798 -0.049 1.00 0.00 N ATOM 136 C4 DT A 5 0.863 -4.792 1.248 1.00 0.00 C ATOM 137 O4 DT A 5 -0.315 -5.040 1.473 1.00 0.00 O ATOM 138 C5 DT A 5 1.851 -4.492 2.259 1.00 0.00 C ATOM 139 C7 DT A 5 1.429 -4.454 3.694 1.00 0.00 C ATOM 140 C6 DT A 5 3.110 -4.256 1.865 1.00 0.00 C ATOM 0 H5' DT A 5 7.282 -6.157 2.582 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.186 -4.694 2.918 1.00 0.00 H new ATOM 0 H4' DT A 5 7.824 -4.979 0.567 1.00 0.00 H new ATOM 0 H3' DT A 5 7.396 -2.545 1.818 1.00 0.00 H new ATOM 0 H2' DT A 5 5.006 -2.501 1.737 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.341 -1.895 0.127 1.00 0.00 H new ATOM 0 H1' DT A 5 4.942 -3.922 -0.894 1.00 0.00 H new ATOM 0 H3 DT A 5 0.648 -5.008 -0.776 1.00 0.00 H new ATOM 0 H71 DT A 5 2.266 -4.747 4.327 1.00 0.00 H new ATOM 0 H72 DT A 5 1.113 -3.444 3.954 1.00 0.00 H new ATOM 0 H73 DT A 5 0.599 -5.144 3.848 1.00 0.00 H new ATOM 0 H6 DT A 5 3.851 -4.034 2.618 1.00 0.00 H new ATOM 153 P DG A 6 8.377 -1.232 -0.255 1.00 0.00 P ATOM 154 OP1 DG A 6 9.843 -1.379 -0.073 1.00 0.00 O ATOM 155 OP2 DG A 6 7.608 -0.346 0.657 1.00 0.00 O ATOM 156 O5' DG A 6 8.097 -0.746 -1.747 1.00 0.00 O ATOM 157 C5' DG A 6 8.893 -1.216 -2.837 1.00 0.00 C ATOM 158 C4' DG A 6 8.090 -1.193 -4.116 1.00 0.00 C ATOM 159 O4' DG A 6 7.015 -2.161 -4.019 1.00 0.00 O ATOM 160 C3' DG A 6 7.399 0.133 -4.423 1.00 0.00 C ATOM 161 O3' DG A 6 8.248 0.995 -5.191 1.00 0.00 O ATOM 162 C2' DG A 6 6.194 -0.311 -5.227 1.00 0.00 C ATOM 163 C1' DG A 6 5.805 -1.589 -4.512 1.00 0.00 C ATOM 164 N9 DG A 6 4.916 -1.357 -3.381 1.00 0.00 N ATOM 165 C8 DG A 6 5.265 -0.864 -2.151 1.00 0.00 C ATOM 166 N7 DG A 6 4.253 -0.723 -1.342 1.00 0.00 N ATOM 167 C5 DG A 6 3.167 -1.174 -2.081 1.00 0.00 C ATOM 168 C6 DG A 6 1.796 -1.268 -1.733 1.00 0.00 C ATOM 169 O6 DG A 6 1.256 -0.986 -0.659 1.00 0.00 O ATOM 170 N1 DG A 6 1.030 -1.753 -2.788 1.00 0.00 N ATOM 171 C2 DG A 6 1.525 -2.115 -4.020 1.00 0.00 C ATOM 172 N2 DG A 6 0.639 -2.566 -4.920 1.00 0.00 N ATOM 173 N3 DG A 6 2.803 -2.042 -4.351 1.00 0.00 N ATOM 174 C4 DG A 6 3.560 -1.564 -3.343 1.00 0.00 C ATOM 0 H5' DG A 6 9.239 -2.230 -2.634 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.780 -0.592 -2.945 1.00 0.00 H new ATOM 0 H4' DG A 6 8.819 -1.397 -4.900 1.00 0.00 H new ATOM 0 H3' DG A 6 7.142 0.709 -3.534 1.00 0.00 H new ATOM 0 H2' DG A 6 5.394 0.429 -5.208 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.442 -0.486 -6.274 1.00 0.00 H new ATOM 0 H1' DG A 6 5.273 -2.235 -5.210 1.00 0.00 H new ATOM 0 H8 DG A 6 6.280 -0.616 -1.878 1.00 0.00 H new ATOM 0 H1 DG A 6 0.026 -1.847 -2.637 1.00 0.00 H new ATOM 0 H21 DG A 6 0.954 -2.848 -5.849 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.349 -2.627 -4.676 1.00 0.00 H new ATOM 186 P DG A 7 8.449 2.529 -4.740 1.00 0.00 P ATOM 187 OP1 DG A 7 9.680 3.024 -5.405 1.00 0.00 O ATOM 188 OP2 DG A 7 8.332 2.606 -3.262 1.00 0.00 O ATOM 189 O5' DG A 7 7.202 3.295 -5.375 1.00 0.00 O ATOM 190 C5' DG A 7 6.471 2.728 -6.460 1.00 0.00 C ATOM 191 C4' DG A 7 5.178 3.478 -6.683 1.00 0.00 C ATOM 192 O4' DG A 7 4.140 2.823 -5.917 1.00 0.00 O ATOM 193 C3' DG A 7 5.175 4.946 -6.248 1.00 0.00 C ATOM 194 O3' DG A 7 4.496 5.744 -7.226 1.00 0.00 O ATOM 195 C2' DG A 7 4.413 4.934 -4.935 1.00 0.00 C ATOM 196 C1' DG A 7 3.470 3.759 -5.098 1.00 0.00 C ATOM 197 N9 DG A 7 3.127 3.098 -3.845 1.00 0.00 N ATOM 198 C8 DG A 7 3.985 2.449 -2.995 1.00 0.00 C ATOM 199 N7 DG A 7 3.395 1.977 -1.929 1.00 0.00 N ATOM 200 C5 DG A 7 2.063 2.335 -2.092 1.00 0.00 C ATOM 201 C6 DG A 7 0.936 2.100 -1.260 1.00 0.00 C ATOM 202 O6 DG A 7 0.892 1.524 -0.168 1.00 0.00 O ATOM 203 N1 DG A 7 -0.228 2.624 -1.815 1.00 0.00 N ATOM 204 C2 DG A 7 -0.299 3.294 -3.012 1.00 0.00 C ATOM 205 N2 DG A 7 -1.508 3.728 -3.379 1.00 0.00 N ATOM 206 N3 DG A 7 0.742 3.522 -3.793 1.00 0.00 N ATOM 207 C4 DG A 7 1.881 3.017 -3.276 1.00 0.00 C ATOM 0 H5' DG A 7 6.258 1.679 -6.253 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.075 2.757 -7.367 1.00 0.00 H new ATOM 0 H4' DG A 7 5.025 3.467 -7.762 1.00 0.00 H new ATOM 0 H3' DG A 7 6.175 5.367 -6.144 1.00 0.00 H new ATOM 0 H2' DG A 7 5.080 4.801 -4.083 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.872 5.866 -4.774 1.00 0.00 H new ATOM 0 H1' DG A 7 2.535 4.129 -5.519 1.00 0.00 H new ATOM 0 H8 DG A 7 5.042 2.339 -3.187 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.095 2.501 -1.292 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.624 4.232 -4.258 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.315 3.555 -2.780 1.00 0.00 H new ATOM 219 P DT A 8 4.290 7.320 -6.978 1.00 0.00 P ATOM 220 OP1 DT A 8 4.433 7.991 -8.294 1.00 0.00 O ATOM 221 OP2 DT A 8 5.149 7.744 -5.842 1.00 0.00 O ATOM 222 O5' DT A 8 2.768 7.444 -6.523 1.00 0.00 O ATOM 223 C5' DT A 8 1.777 6.535 -7.006 1.00 0.00 C ATOM 224 C4' DT A 8 0.392 7.065 -6.721 1.00 0.00 C ATOM 225 O4' DT A 8 -0.059 6.512 -5.460 1.00 0.00 O ATOM 226 C3' DT A 8 0.295 8.588 -6.590 1.00 0.00 C ATOM 227 O3' DT A 8 -0.788 9.085 -7.383 1.00 0.00 O ATOM 228 C2' DT A 8 0.029 8.828 -5.113 1.00 0.00 C ATOM 229 C1' DT A 8 -0.596 7.529 -4.641 1.00 0.00 C ATOM 230 N1 DT A 8 -0.293 7.186 -3.237 1.00 0.00 N ATOM 231 C2 DT A 8 -1.333 6.828 -2.407 1.00 0.00 C ATOM 232 O2 DT A 8 -2.493 6.767 -2.778 1.00 0.00 O ATOM 233 N3 DT A 8 -0.963 6.540 -1.121 1.00 0.00 N ATOM 234 C4 DT A 8 0.310 6.573 -0.592 1.00 0.00 C ATOM 235 O4 DT A 8 0.487 6.298 0.590 1.00 0.00 O ATOM 236 C5 DT A 8 1.355 6.950 -1.517 1.00 0.00 C ATOM 237 C7 DT A 8 2.770 7.003 -1.022 1.00 0.00 C ATOM 238 C6 DT A 8 1.009 7.233 -2.785 1.00 0.00 C ATOM 0 H5' DT A 8 1.905 5.562 -6.532 1.00 0.00 H new ATOM 0 H5'' DT A 8 1.903 6.386 -8.078 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.214 6.773 -7.578 1.00 0.00 H new ATOM 0 H3' DT A 8 1.196 9.096 -6.935 1.00 0.00 H new ATOM 0 H2' DT A 8 0.949 9.049 -4.572 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.642 9.673 -4.960 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.679 7.633 -4.706 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.712 6.271 -0.483 1.00 0.00 H new ATOM 0 H71 DT A 8 2.776 7.262 0.037 1.00 0.00 H new ATOM 0 H72 DT A 8 3.241 6.030 -1.160 1.00 0.00 H new ATOM 0 H73 DT A 8 3.324 7.756 -1.582 1.00 0.00 H new ATOM 0 H6 DT A 8 1.786 7.510 -3.482 1.00 0.00 H new ATOM 251 P DC A 9 -0.968 10.671 -7.585 1.00 0.00 P ATOM 252 OP1 DC A 9 -1.553 10.880 -8.933 1.00 0.00 O ATOM 253 OP2 DC A 9 0.307 11.344 -7.226 1.00 0.00 O ATOM 254 O5' DC A 9 -2.066 11.072 -6.502 1.00 0.00 O ATOM 255 C5' DC A 9 -3.238 10.278 -6.316 1.00 0.00 C ATOM 256 C4' DC A 9 -3.966 10.711 -5.066 1.00 0.00 C ATOM 257 O4' DC A 9 -3.524 9.907 -3.954 1.00 0.00 O ATOM 258 C3' DC A 9 -3.699 12.147 -4.633 1.00 0.00 C ATOM 259 O3' DC A 9 -4.623 13.032 -5.277 1.00 0.00 O ATOM 260 C2' DC A 9 -3.939 12.099 -3.132 1.00 0.00 C ATOM 261 C1' DC A 9 -3.692 10.637 -2.748 1.00 0.00 C ATOM 262 N1 DC A 9 -2.500 10.399 -1.911 1.00 0.00 N ATOM 263 C2 DC A 9 -2.686 9.991 -0.591 1.00 0.00 C ATOM 264 O2 DC A 9 -3.840 9.871 -0.161 1.00 0.00 O ATOM 265 N3 DC A 9 -1.607 9.738 0.185 1.00 0.00 N ATOM 266 C4 DC A 9 -0.379 9.886 -0.313 1.00 0.00 C ATOM 267 N4 DC A 9 0.656 9.621 0.489 1.00 0.00 N ATOM 268 C5 DC A 9 -0.155 10.312 -1.656 1.00 0.00 C ATOM 269 C6 DC A 9 -1.237 10.558 -2.413 1.00 0.00 C ATOM 0 H5' DC A 9 -2.965 9.225 -6.241 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.894 10.376 -7.181 1.00 0.00 H new ATOM 0 H4' DC A 9 -5.022 10.604 -5.315 1.00 0.00 H new ATOM 0 H3' DC A 9 -2.704 12.510 -4.891 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.262 12.768 -2.601 1.00 0.00 H new ATOM 0 H2'' DC A 9 -4.954 12.408 -2.883 1.00 0.00 H new ATOM 0 H1' DC A 9 -4.549 10.324 -2.151 1.00 0.00 H new ATOM 0 H41 DC A 9 1.610 9.723 0.142 1.00 0.00 H new ATOM 0 H42 DC A 9 0.493 9.316 1.449 1.00 0.00 H new ATOM 0 H5 DC A 9 0.844 10.432 -2.048 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.108 10.886 -3.434 1.00 0.00 H new ATOM 281 P DT A 10 -4.075 14.258 -6.163 1.00 0.00 P ATOM 282 OP1 DT A 10 -4.504 14.014 -7.565 1.00 0.00 O ATOM 283 OP2 DT A 10 -2.635 14.462 -5.863 1.00 0.00 O ATOM 284 O5' DT A 10 -4.877 15.521 -5.616 1.00 0.00 O ATOM 285 C5' DT A 10 -6.156 15.373 -4.995 1.00 0.00 C ATOM 286 C4' DT A 10 -6.142 16.009 -3.624 1.00 0.00 C ATOM 287 O4' DT A 10 -5.592 15.063 -2.684 1.00 0.00 O ATOM 288 C3' DT A 10 -5.263 17.251 -3.504 1.00 0.00 C ATOM 289 O3' DT A 10 -6.026 18.442 -3.722 1.00 0.00 O ATOM 290 C2' DT A 10 -4.772 17.205 -2.068 1.00 0.00 C ATOM 291 C1' DT A 10 -4.899 15.747 -1.653 1.00 0.00 C ATOM 292 N1 DT A 10 -3.593 15.099 -1.465 1.00 0.00 N ATOM 293 C2 DT A 10 -3.319 14.524 -0.249 1.00 0.00 C ATOM 294 O2 DT A 10 -4.115 14.502 0.673 1.00 0.00 O ATOM 295 N3 DT A 10 -2.074 13.971 -0.149 1.00 0.00 N ATOM 296 C4 DT A 10 -1.102 13.915 -1.125 1.00 0.00 C ATOM 297 O4 DT A 10 -0.029 13.370 -0.886 1.00 0.00 O ATOM 298 C5 DT A 10 -1.462 14.525 -2.387 1.00 0.00 C ATOM 299 C7 DT A 10 -0.499 14.453 -3.530 1.00 0.00 C ATOM 300 C6 DT A 10 -2.674 15.090 -2.493 1.00 0.00 C ATOM 0 H5' DT A 10 -6.409 14.316 -4.912 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.925 15.837 -5.612 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.176 16.296 -3.431 1.00 0.00 H new ATOM 0 H3' DT A 10 -4.457 17.263 -4.238 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.740 17.548 -1.993 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.370 17.851 -1.426 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.427 15.708 -0.700 1.00 0.00 H new ATOM 0 H3 DT A 10 -1.836 13.552 0.750 1.00 0.00 H new ATOM 0 H71 DT A 10 0.521 14.424 -3.146 1.00 0.00 H new ATOM 0 H72 DT A 10 -0.693 13.552 -4.113 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.622 15.330 -4.165 1.00 0.00 H new ATOM 0 H6 DT A 10 -2.943 15.560 -3.428 1.00 0.00 H new ATOM 313 P DC A 11 -5.326 19.879 -3.543 1.00 0.00 P ATOM 314 OP1 DC A 11 -6.263 20.899 -4.080 1.00 0.00 O ATOM 315 OP2 DC A 11 -3.944 19.796 -4.083 1.00 0.00 O ATOM 316 O5' DC A 11 -5.228 20.073 -1.962 1.00 0.00 O ATOM 317 C5' DC A 11 -6.296 20.677 -1.226 1.00 0.00 C ATOM 318 C4' DC A 11 -6.037 20.583 0.261 1.00 0.00 C ATOM 319 O4' DC A 11 -5.124 19.491 0.529 1.00 0.00 O ATOM 320 C3' DC A 11 -5.398 21.822 0.891 1.00 0.00 C ATOM 321 O3' DC A 11 -5.943 22.029 2.200 1.00 0.00 O ATOM 322 C2' DC A 11 -3.923 21.467 0.959 1.00 0.00 C ATOM 323 C1' DC A 11 -3.951 19.965 1.176 1.00 0.00 C ATOM 324 N1 DC A 11 -2.809 19.230 0.609 1.00 0.00 N ATOM 325 C2 DC A 11 -2.050 18.400 1.442 1.00 0.00 C ATOM 326 O2 DC A 11 -2.329 18.342 2.649 1.00 0.00 O ATOM 327 N3 DC A 11 -1.033 17.682 0.914 1.00 0.00 N ATOM 328 C4 DC A 11 -0.762 17.770 -0.390 1.00 0.00 C ATOM 329 N4 DC A 11 0.248 17.027 -0.862 1.00 0.00 N ATOM 330 C5 DC A 11 -1.512 18.622 -1.263 1.00 0.00 C ATOM 331 C6 DC A 11 -2.507 19.335 -0.720 1.00 0.00 C ATOM 0 H5' DC A 11 -7.237 20.183 -1.469 1.00 0.00 H new ATOM 0 H5'' DC A 11 -6.400 21.722 -1.517 1.00 0.00 H new ATOM 0 H4' DC A 11 -7.027 20.450 0.697 1.00 0.00 H new ATOM 0 H3' DC A 11 -5.575 22.741 0.332 1.00 0.00 H new ATOM 0 H2' DC A 11 -3.400 21.734 0.041 1.00 0.00 H new ATOM 0 H2'' DC A 11 -3.419 21.985 1.775 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.917 19.794 2.252 1.00 0.00 H new ATOM 0 H41 DC A 11 0.489 17.064 -1.852 1.00 0.00 H new ATOM 0 H42 DC A 11 0.776 16.424 -0.231 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.284 18.687 -2.317 1.00 0.00 H new ATOM 0 H6 DC A 11 -3.081 20.005 -1.343 1.00 0.00 H new ATOM 343 P DC A 12 -6.507 23.477 2.615 1.00 0.00 P ATOM 344 OP1 DC A 12 -7.989 23.445 2.523 1.00 0.00 O ATOM 345 OP2 DC A 12 -5.748 24.497 1.847 1.00 0.00 O ATOM 346 O5' DC A 12 -6.103 23.624 4.149 1.00 0.00 O ATOM 347 C5' DC A 12 -6.644 22.748 5.142 1.00 0.00 C ATOM 348 C4' DC A 12 -5.592 22.426 6.178 1.00 0.00 C ATOM 349 O4' DC A 12 -4.429 21.910 5.505 1.00 0.00 O ATOM 350 C3' DC A 12 -5.095 23.625 6.980 1.00 0.00 C ATOM 351 O3' DC A 12 -5.827 23.749 8.202 1.00 0.00 O ATOM 352 C2' DC A 12 -3.641 23.289 7.270 1.00 0.00 C ATOM 353 C1' DC A 12 -3.276 22.186 6.278 1.00 0.00 C ATOM 354 N1 DC A 12 -2.196 22.551 5.349 1.00 0.00 N ATOM 355 C2 DC A 12 -0.934 21.978 5.514 1.00 0.00 C ATOM 356 O2 DC A 12 -0.754 21.170 6.437 1.00 0.00 O ATOM 357 N3 DC A 12 0.062 22.317 4.662 1.00 0.00 N ATOM 358 C4 DC A 12 -0.173 23.188 3.679 1.00 0.00 C ATOM 359 N4 DC A 12 0.833 23.493 2.860 1.00 0.00 N ATOM 360 C5 DC A 12 -1.450 23.786 3.489 1.00 0.00 C ATOM 361 C6 DC A 12 -2.423 23.444 4.340 1.00 0.00 C ATOM 0 H5' DC A 12 -6.998 21.829 4.674 1.00 0.00 H new ATOM 0 H5'' DC A 12 -7.505 23.215 5.620 1.00 0.00 H new ATOM 0 H4' DC A 12 -6.070 21.726 6.864 1.00 0.00 H new ATOM 0 H3' DC A 12 -5.217 24.568 6.447 1.00 0.00 H new ATOM 0 H2' DC A 12 -3.002 24.162 7.140 1.00 0.00 H new ATOM 0 H2'' DC A 12 -3.513 22.951 8.298 1.00 0.00 H new ATOM 0 HO3' DC A 12 -5.495 24.522 8.705 1.00 0.00 H new ATOM 0 H1' DC A 12 -2.925 21.333 6.859 1.00 0.00 H new ATOM 0 H41 DC A 12 0.687 24.155 2.098 1.00 0.00 H new ATOM 0 H42 DC A 12 1.749 23.064 2.995 1.00 0.00 H new ATOM 0 H5 DC A 12 -1.627 24.489 2.688 1.00 0.00 H new ATOM 0 H6 DC A 12 -3.404 23.881 4.228 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 9.138 20.070 7.411 1.00 0.00 O ATOM 376 C5' DG B 13 8.785 19.585 8.709 1.00 0.00 C ATOM 377 C4' DG B 13 7.677 18.561 8.622 1.00 0.00 C ATOM 378 O4' DG B 13 6.517 19.176 8.003 1.00 0.00 O ATOM 379 C3' DG B 13 7.999 17.329 7.773 1.00 0.00 C ATOM 380 O3' DG B 13 7.422 16.160 8.371 1.00 0.00 O ATOM 381 C2' DG B 13 7.338 17.646 6.444 1.00 0.00 C ATOM 382 C1' DG B 13 6.103 18.395 6.895 1.00 0.00 C ATOM 383 N9 DG B 13 5.530 19.292 5.895 1.00 0.00 N ATOM 384 C8 DG B 13 6.194 19.930 4.878 1.00 0.00 C ATOM 385 N7 DG B 13 5.412 20.665 4.134 1.00 0.00 N ATOM 386 C5 DG B 13 4.154 20.503 4.697 1.00 0.00 C ATOM 387 C6 DG B 13 2.905 21.058 4.323 1.00 0.00 C ATOM 388 O6 DG B 13 2.656 21.826 3.389 1.00 0.00 O ATOM 389 N1 DG B 13 1.881 20.636 5.164 1.00 0.00 N ATOM 390 C2 DG B 13 2.041 19.781 6.235 1.00 0.00 C ATOM 391 N2 DG B 13 0.940 19.470 6.946 1.00 0.00 N ATOM 392 N3 DG B 13 3.203 19.258 6.592 1.00 0.00 N ATOM 393 C4 DG B 13 4.208 19.659 5.786 1.00 0.00 C ATOM 0 H5' DG B 13 8.468 20.417 9.338 1.00 0.00 H new ATOM 0 H5'' DG B 13 9.659 19.141 9.185 1.00 0.00 H new ATOM 0 H4' DG B 13 7.516 18.232 9.649 1.00 0.00 H new ATOM 0 H3' DG B 13 9.066 17.127 7.675 1.00 0.00 H new ATOM 0 H2' DG B 13 7.976 18.254 5.803 1.00 0.00 H new ATOM 0 H2'' DG B 13 7.090 16.745 5.884 1.00 0.00 H new ATOM 0 HO5' DG B 13 9.856 20.732 7.493 1.00 0.00 H new ATOM 0 H1' DG B 13 5.323 17.665 7.114 1.00 0.00 H new ATOM 0 H8 DG B 13 7.256 19.834 4.710 1.00 0.00 H new ATOM 0 H1 DG B 13 0.941 20.985 4.975 1.00 0.00 H new ATOM 0 H21 DG B 13 1.010 18.842 7.746 1.00 0.00 H new ATOM 0 H22 DG B 13 0.036 19.863 6.684 1.00 0.00 H new ATOM 406 P DG B 14 7.711 14.706 7.743 1.00 0.00 P ATOM 407 OP1 DG B 14 8.577 13.980 8.706 1.00 0.00 O ATOM 408 OP2 DG B 14 8.151 14.856 6.333 1.00 0.00 O ATOM 409 O5' DG B 14 6.281 14.003 7.746 1.00 0.00 O ATOM 410 C5' DG B 14 5.359 14.228 8.814 1.00 0.00 C ATOM 411 C4' DG B 14 4.017 13.612 8.495 1.00 0.00 C ATOM 412 O4' DG B 14 3.594 14.041 7.183 1.00 0.00 O ATOM 413 C3' DG B 14 3.995 12.080 8.465 1.00 0.00 C ATOM 414 O3' DG B 14 3.267 11.604 9.607 1.00 0.00 O ATOM 415 C2' DG B 14 3.301 11.735 7.151 1.00 0.00 C ATOM 416 C1' DG B 14 2.737 13.052 6.662 1.00 0.00 C ATOM 417 N9 DG B 14 2.707 13.199 5.211 1.00 0.00 N ATOM 418 C8 DG B 14 3.554 12.611 4.307 1.00 0.00 C ATOM 419 N7 DG B 14 3.311 12.956 3.072 1.00 0.00 N ATOM 420 C5 DG B 14 2.224 13.815 3.166 1.00 0.00 C ATOM 421 C6 DG B 14 1.503 14.499 2.155 1.00 0.00 C ATOM 422 O6 DG B 14 1.687 14.488 0.932 1.00 0.00 O ATOM 423 N1 DG B 14 0.469 15.258 2.690 1.00 0.00 N ATOM 424 C2 DG B 14 0.165 15.350 4.023 1.00 0.00 C ATOM 425 N2 DG B 14 -0.856 16.158 4.337 1.00 0.00 N ATOM 426 N3 DG B 14 0.818 14.707 4.976 1.00 0.00 N ATOM 427 C4 DG B 14 1.832 13.967 4.479 1.00 0.00 C ATOM 0 H5' DG B 14 5.243 15.299 8.982 1.00 0.00 H new ATOM 0 H5'' DG B 14 5.751 13.801 9.737 1.00 0.00 H new ATOM 0 H4' DG B 14 3.363 13.944 9.302 1.00 0.00 H new ATOM 0 H3' DG B 14 4.982 11.620 8.513 1.00 0.00 H new ATOM 0 H2' DG B 14 4.002 11.312 6.431 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.513 10.997 7.300 1.00 0.00 H new ATOM 0 H1' DG B 14 1.699 13.124 6.988 1.00 0.00 H new ATOM 0 H8 DG B 14 4.344 11.930 4.589 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.110 15.789 2.039 1.00 0.00 H new ATOM 0 H21 DG B 14 -1.135 16.272 5.311 1.00 0.00 H new ATOM 0 H22 DG B 14 -1.355 16.659 3.602 1.00 0.00 H new ATOM 439 P DA B 15 2.580 10.149 9.583 1.00 0.00 P ATOM 440 OP1 DA B 15 2.511 9.657 10.982 1.00 0.00 O ATOM 441 OP2 DA B 15 3.258 9.324 8.549 1.00 0.00 O ATOM 442 O5' DA B 15 1.095 10.449 9.090 1.00 0.00 O ATOM 443 C5' DA B 15 0.421 11.647 9.484 1.00 0.00 C ATOM 444 C4' DA B 15 -1.066 11.402 9.595 1.00 0.00 C ATOM 445 O4' DA B 15 -1.708 11.808 8.368 1.00 0.00 O ATOM 446 C3' DA B 15 -1.468 9.945 9.801 1.00 0.00 C ATOM 447 O3' DA B 15 -2.673 9.864 10.570 1.00 0.00 O ATOM 448 C2' DA B 15 -1.694 9.433 8.387 1.00 0.00 C ATOM 449 C1' DA B 15 -1.958 10.678 7.546 1.00 0.00 C ATOM 450 N9 DA B 15 -1.109 10.795 6.360 1.00 0.00 N ATOM 451 C8 DA B 15 0.208 10.428 6.229 1.00 0.00 C ATOM 452 N7 DA B 15 0.706 10.663 5.040 1.00 0.00 N ATOM 453 C5 DA B 15 -0.355 11.218 4.338 1.00 0.00 C ATOM 454 C6 DA B 15 -0.473 11.687 3.017 1.00 0.00 C ATOM 455 N6 DA B 15 0.533 11.682 2.139 1.00 0.00 N ATOM 456 N1 DA B 15 -1.670 12.176 2.629 1.00 0.00 N ATOM 457 C2 DA B 15 -2.672 12.196 3.519 1.00 0.00 C ATOM 458 N3 DA B 15 -2.682 11.790 4.787 1.00 0.00 N ATOM 459 C4 DA B 15 -1.479 11.304 5.138 1.00 0.00 C ATOM 0 H5' DA B 15 0.613 12.436 8.757 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.811 11.994 10.441 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.373 11.971 10.472 1.00 0.00 H new ATOM 0 H3' DA B 15 -0.720 9.367 10.344 1.00 0.00 H new ATOM 0 H2' DA B 15 -0.823 8.889 8.022 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.539 8.745 8.348 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.987 10.612 7.192 1.00 0.00 H new ATOM 0 H8 DA B 15 0.780 9.987 7.032 1.00 0.00 H new ATOM 0 H61 DA B 15 0.387 12.036 1.194 1.00 0.00 H new ATOM 0 H62 DA B 15 1.448 11.324 2.414 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.605 12.599 3.155 1.00 0.00 H new ATOM 471 P DG B 16 -2.851 8.691 11.657 1.00 0.00 P ATOM 472 OP1 DG B 16 -3.788 9.174 12.704 1.00 0.00 O ATOM 473 OP2 DG B 16 -1.499 8.215 12.049 1.00 0.00 O ATOM 474 O5' DG B 16 -3.570 7.523 10.844 1.00 0.00 O ATOM 475 C5' DG B 16 -4.941 7.632 10.460 1.00 0.00 C ATOM 476 C4' DG B 16 -5.172 6.953 9.131 1.00 0.00 C ATOM 477 O4' DG B 16 -4.225 7.466 8.163 1.00 0.00 O ATOM 478 C3' DG B 16 -4.990 5.429 9.135 1.00 0.00 C ATOM 479 O3' DG B 16 -6.177 4.799 8.637 1.00 0.00 O ATOM 480 C2' DG B 16 -3.818 5.188 8.195 1.00 0.00 C ATOM 481 C1' DG B 16 -3.864 6.409 7.305 1.00 0.00 C ATOM 482 N9 DG B 16 -2.606 6.757 6.653 1.00 0.00 N ATOM 483 C8 DG B 16 -1.339 6.663 7.173 1.00 0.00 C ATOM 484 N7 DG B 16 -0.409 7.039 6.337 1.00 0.00 N ATOM 485 C5 DG B 16 -1.107 7.407 5.195 1.00 0.00 C ATOM 486 C6 DG B 16 -0.640 7.894 3.945 1.00 0.00 C ATOM 487 O6 DG B 16 0.524 8.108 3.587 1.00 0.00 O ATOM 488 N1 DG B 16 -1.688 8.135 3.065 1.00 0.00 N ATOM 489 C2 DG B 16 -3.019 7.938 3.351 1.00 0.00 C ATOM 490 N2 DG B 16 -3.898 8.228 2.384 1.00 0.00 N ATOM 491 N3 DG B 16 -3.466 7.485 4.507 1.00 0.00 N ATOM 492 C4 DG B 16 -2.463 7.240 5.376 1.00 0.00 C ATOM 0 H5' DG B 16 -5.224 8.683 10.393 1.00 0.00 H new ATOM 0 H5'' DG B 16 -5.576 7.179 11.222 1.00 0.00 H new ATOM 0 H4' DG B 16 -6.214 7.166 8.890 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.808 5.023 10.130 1.00 0.00 H new ATOM 0 H2' DG B 16 -2.873 5.112 8.734 1.00 0.00 H new ATOM 0 H2'' DG B 16 -3.935 4.265 7.626 1.00 0.00 H new ATOM 0 H1' DG B 16 -4.557 6.212 6.487 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.132 6.313 8.174 1.00 0.00 H new ATOM 0 H1 DG B 16 -1.452 8.485 2.136 1.00 0.00 H new ATOM 0 H21 DG B 16 -4.897 8.099 2.547 1.00 0.00 H new ATOM 0 H22 DG B 16 -3.569 8.578 1.484 1.00 0.00 H new ATOM 504 P DA B 17 -6.342 3.201 8.735 1.00 0.00 P ATOM 505 OP1 DA B 17 -7.363 2.905 9.772 1.00 0.00 O ATOM 506 OP2 DA B 17 -4.987 2.601 8.846 1.00 0.00 O ATOM 507 O5' DA B 17 -6.940 2.791 7.315 1.00 0.00 O ATOM 508 C5' DA B 17 -8.216 3.273 6.887 1.00 0.00 C ATOM 509 C4' DA B 17 -8.289 3.305 5.378 1.00 0.00 C ATOM 510 O4' DA B 17 -7.156 4.050 4.866 1.00 0.00 O ATOM 511 C3' DA B 17 -8.243 1.934 4.695 1.00 0.00 C ATOM 512 O3' DA B 17 -9.219 1.876 3.648 1.00 0.00 O ATOM 513 C2' DA B 17 -6.836 1.857 4.125 1.00 0.00 C ATOM 514 C1' DA B 17 -6.516 3.310 3.844 1.00 0.00 C ATOM 515 N9 DA B 17 -5.091 3.636 3.876 1.00 0.00 N ATOM 516 C8 DA B 17 -4.242 3.574 4.952 1.00 0.00 C ATOM 517 N7 DA B 17 -3.010 3.923 4.676 1.00 0.00 N ATOM 518 C5 DA B 17 -3.050 4.240 3.325 1.00 0.00 C ATOM 519 C6 DA B 17 -2.062 4.683 2.430 1.00 0.00 C ATOM 520 N6 DA B 17 -0.794 4.900 2.781 1.00 0.00 N ATOM 521 N1 DA B 17 -2.426 4.902 1.148 1.00 0.00 N ATOM 522 C2 DA B 17 -3.704 4.694 0.802 1.00 0.00 C ATOM 523 N3 DA B 17 -4.724 4.284 1.554 1.00 0.00 N ATOM 524 C4 DA B 17 -4.326 4.070 2.820 1.00 0.00 C ATOM 0 H5' DA B 17 -8.387 4.273 7.287 1.00 0.00 H new ATOM 0 H5'' DA B 17 -9.005 2.633 7.282 1.00 0.00 H new ATOM 0 H4' DA B 17 -9.255 3.757 5.154 1.00 0.00 H new ATOM 0 H3' DA B 17 -8.463 1.109 5.373 1.00 0.00 H new ATOM 0 H2' DA B 17 -6.135 1.417 4.834 1.00 0.00 H new ATOM 0 H2'' DA B 17 -6.797 1.251 3.220 1.00 0.00 H new ATOM 0 H1' DA B 17 -6.854 3.542 2.834 1.00 0.00 H new ATOM 0 H8 DA B 17 -4.560 3.266 5.937 1.00 0.00 H new ATOM 0 H61 DA B 17 -0.120 5.222 2.086 1.00 0.00 H new ATOM 0 H62 DA B 17 -0.498 4.744 3.744 1.00 0.00 H new ATOM 0 H2 DA B 17 -3.940 4.886 -0.234 1.00 0.00 H new ATOM 536 P DC B 18 -9.442 0.508 2.831 1.00 0.00 P ATOM 537 OP1 DC B 18 -10.878 0.421 2.465 1.00 0.00 O ATOM 538 OP2 DC B 18 -8.814 -0.598 3.600 1.00 0.00 O ATOM 539 O5' DC B 18 -8.596 0.717 1.497 1.00 0.00 O ATOM 540 C5' DC B 18 -8.776 1.880 0.686 1.00 0.00 C ATOM 541 C4' DC B 18 -7.809 1.870 -0.474 1.00 0.00 C ATOM 542 O4' DC B 18 -6.518 2.335 -0.030 1.00 0.00 O ATOM 543 C3' DC B 18 -7.526 0.503 -1.089 1.00 0.00 C ATOM 544 O3' DC B 18 -8.480 0.208 -2.116 1.00 0.00 O ATOM 545 C2' DC B 18 -6.135 0.672 -1.683 1.00 0.00 C ATOM 546 C1' DC B 18 -5.533 1.868 -0.940 1.00 0.00 C ATOM 547 N1 DC B 18 -4.317 1.547 -0.173 1.00 0.00 N ATOM 548 C2 DC B 18 -3.069 1.772 -0.764 1.00 0.00 C ATOM 549 O2 DC B 18 -3.022 2.248 -1.908 1.00 0.00 O ATOM 550 N3 DC B 18 -1.947 1.466 -0.075 1.00 0.00 N ATOM 551 C4 DC B 18 -2.038 0.960 1.156 1.00 0.00 C ATOM 552 N4 DC B 18 -0.904 0.680 1.799 1.00 0.00 N ATOM 553 C5 DC B 18 -3.296 0.723 1.784 1.00 0.00 C ATOM 554 C6 DC B 18 -4.399 1.031 1.091 1.00 0.00 C ATOM 0 H5' DC B 18 -8.624 2.777 1.287 1.00 0.00 H new ATOM 0 H5'' DC B 18 -9.800 1.916 0.314 1.00 0.00 H new ATOM 0 H4' DC B 18 -8.297 2.498 -1.219 1.00 0.00 H new ATOM 0 H3' DC B 18 -7.590 -0.314 -0.371 1.00 0.00 H new ATOM 0 H2' DC B 18 -5.533 -0.225 -1.541 1.00 0.00 H new ATOM 0 H2'' DC B 18 -6.183 0.857 -2.756 1.00 0.00 H new ATOM 0 H1' DC B 18 -5.244 2.608 -1.687 1.00 0.00 H new ATOM 0 H41 DC B 18 -0.935 0.292 2.742 1.00 0.00 H new ATOM 0 H42 DC B 18 -0.006 0.854 1.348 1.00 0.00 H new ATOM 0 H5 DC B 18 -3.357 0.311 2.780 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.369 0.869 1.537 1.00 0.00 H new ATOM 566 P DC B 19 -8.652 -1.304 -2.636 1.00 0.00 P ATOM 567 OP1 DC B 19 -9.473 -1.256 -3.873 1.00 0.00 O ATOM 568 OP2 DC B 19 -9.097 -2.141 -1.493 1.00 0.00 O ATOM 569 O5' DC B 19 -7.172 -1.747 -3.027 1.00 0.00 O ATOM 570 C5' DC B 19 -6.661 -1.541 -4.348 1.00 0.00 C ATOM 571 C4' DC B 19 -5.633 -2.596 -4.682 1.00 0.00 C ATOM 572 O4' DC B 19 -4.326 -2.124 -4.297 1.00 0.00 O ATOM 573 C3' DC B 19 -5.803 -3.923 -3.948 1.00 0.00 C ATOM 574 O3' DC B 19 -6.649 -4.793 -4.710 1.00 0.00 O ATOM 575 C2' DC B 19 -4.384 -4.463 -3.868 1.00 0.00 C ATOM 576 C1' DC B 19 -3.488 -3.229 -3.988 1.00 0.00 C ATOM 577 N1 DC B 19 -2.739 -2.890 -2.766 1.00 0.00 N ATOM 578 C2 DC B 19 -1.344 -2.831 -2.826 1.00 0.00 C ATOM 579 O2 DC B 19 -0.777 -3.089 -3.897 1.00 0.00 O ATOM 580 N3 DC B 19 -0.647 -2.493 -1.717 1.00 0.00 N ATOM 581 C4 DC B 19 -1.292 -2.229 -0.579 1.00 0.00 C ATOM 582 N4 DC B 19 -0.564 -1.901 0.490 1.00 0.00 N ATOM 583 C5 DC B 19 -2.715 -2.289 -0.487 1.00 0.00 C ATOM 584 C6 DC B 19 -3.391 -2.623 -1.594 1.00 0.00 C ATOM 0 H5' DC B 19 -6.213 -0.550 -4.422 1.00 0.00 H new ATOM 0 H5'' DC B 19 -7.476 -1.576 -5.070 1.00 0.00 H new ATOM 0 H4' DC B 19 -5.759 -2.768 -5.751 1.00 0.00 H new ATOM 0 H3' DC B 19 -6.267 -3.828 -2.966 1.00 0.00 H new ATOM 0 H2' DC B 19 -4.212 -4.986 -2.927 1.00 0.00 H new ATOM 0 H2'' DC B 19 -4.186 -5.175 -4.669 1.00 0.00 H new ATOM 0 H1' DC B 19 -2.747 -3.453 -4.755 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.024 -1.693 1.376 1.00 0.00 H new ATOM 0 H42 DC B 19 0.453 -1.858 0.421 1.00 0.00 H new ATOM 0 H5 DC B 19 -3.227 -2.073 0.439 1.00 0.00 H new ATOM 0 H6 DC B 19 -4.469 -2.682 -1.560 1.00 0.00 H new ATOM 596 P DA B 20 -6.730 -6.357 -4.344 1.00 0.00 P ATOM 597 OP1 DA B 20 -8.050 -6.852 -4.814 1.00 0.00 O ATOM 598 OP2 DA B 20 -6.347 -6.533 -2.919 1.00 0.00 O ATOM 599 O5' DA B 20 -5.603 -7.022 -5.254 1.00 0.00 O ATOM 600 C5' DA B 20 -5.469 -6.669 -6.633 1.00 0.00 C ATOM 601 C4' DA B 20 -4.061 -6.944 -7.111 1.00 0.00 C ATOM 602 O4' DA B 20 -3.122 -6.447 -6.125 1.00 0.00 O ATOM 603 C3' DA B 20 -3.721 -8.421 -7.301 1.00 0.00 C ATOM 604 O3' DA B 20 -2.793 -8.583 -8.380 1.00 0.00 O ATOM 605 C2' DA B 20 -3.083 -8.803 -5.978 1.00 0.00 C ATOM 606 C1' DA B 20 -2.382 -7.520 -5.559 1.00 0.00 C ATOM 607 N9 DA B 20 -2.328 -7.310 -4.113 1.00 0.00 N ATOM 608 C8 DA B 20 -3.346 -7.484 -3.208 1.00 0.00 C ATOM 609 N7 DA B 20 -3.004 -7.219 -1.972 1.00 0.00 N ATOM 610 C5 DA B 20 -1.671 -6.847 -2.067 1.00 0.00 C ATOM 611 C6 DA B 20 -0.733 -6.448 -1.104 1.00 0.00 C ATOM 612 N6 DA B 20 -1.012 -6.346 0.195 1.00 0.00 N ATOM 613 N1 DA B 20 0.515 -6.149 -1.524 1.00 0.00 N ATOM 614 C2 DA B 20 0.789 -6.243 -2.831 1.00 0.00 C ATOM 615 N3 DA B 20 -0.011 -6.603 -3.835 1.00 0.00 N ATOM 616 C4 DA B 20 -1.241 -6.897 -3.380 1.00 0.00 C ATOM 0 H5' DA B 20 -5.707 -5.614 -6.770 1.00 0.00 H new ATOM 0 H5'' DA B 20 -6.181 -7.237 -7.232 1.00 0.00 H new ATOM 0 H4' DA B 20 -3.993 -6.452 -8.081 1.00 0.00 H new ATOM 0 H3' DA B 20 -4.586 -9.037 -7.549 1.00 0.00 H new ATOM 0 H2' DA B 20 -3.827 -9.115 -5.245 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.381 -9.629 -6.091 1.00 0.00 H new ATOM 0 H1' DA B 20 -1.350 -7.580 -5.903 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.337 -7.809 -3.489 1.00 0.00 H new ATOM 0 H61 DA B 20 -0.288 -6.050 0.850 1.00 0.00 H new ATOM 0 H62 DA B 20 -1.949 -6.564 0.534 1.00 0.00 H new ATOM 0 H2 DA B 20 1.801 -5.992 -3.112 1.00 0.00 H new ATOM 628 P DG B 21 -2.582 -10.033 -9.044 1.00 0.00 P ATOM 629 OP1 DG B 21 -2.847 -9.917 -10.502 1.00 0.00 O ATOM 630 OP2 DG B 21 -3.343 -11.024 -8.240 1.00 0.00 O ATOM 631 O5' DG B 21 -1.030 -10.327 -8.840 1.00 0.00 O ATOM 632 C5' DG B 21 -0.039 -9.582 -9.549 1.00 0.00 C ATOM 633 C4' DG B 21 1.344 -10.018 -9.124 1.00 0.00 C ATOM 634 O4' DG B 21 1.731 -9.269 -7.948 1.00 0.00 O ATOM 635 C3' DG B 21 1.463 -11.488 -8.733 1.00 0.00 C ATOM 636 O3' DG B 21 1.882 -12.265 -9.860 1.00 0.00 O ATOM 637 C2' DG B 21 2.533 -11.474 -7.657 1.00 0.00 C ATOM 638 C1' DG B 21 2.328 -10.125 -6.984 1.00 0.00 C ATOM 639 N9 DG B 21 1.457 -10.149 -5.812 1.00 0.00 N ATOM 640 C8 DG B 21 0.101 -10.364 -5.786 1.00 0.00 C ATOM 641 N7 DG B 21 -0.407 -10.311 -4.585 1.00 0.00 N ATOM 642 C5 DG B 21 0.681 -10.049 -3.765 1.00 0.00 C ATOM 643 C6 DG B 21 0.755 -9.878 -2.358 1.00 0.00 C ATOM 644 O6 DG B 21 -0.159 -9.928 -1.525 1.00 0.00 O ATOM 645 N1 DG B 21 2.057 -9.626 -1.940 1.00 0.00 N ATOM 646 C2 DG B 21 3.147 -9.551 -2.768 1.00 0.00 C ATOM 647 N2 DG B 21 4.317 -9.301 -2.174 1.00 0.00 N ATOM 648 N3 DG B 21 3.096 -9.708 -4.078 1.00 0.00 N ATOM 649 C4 DG B 21 1.840 -9.950 -4.507 1.00 0.00 C ATOM 0 H5' DG B 21 -0.168 -8.517 -9.357 1.00 0.00 H new ATOM 0 H5'' DG B 21 -0.161 -9.729 -10.622 1.00 0.00 H new ATOM 0 H4' DG B 21 1.975 -9.844 -9.996 1.00 0.00 H new ATOM 0 H3' DG B 21 0.525 -11.926 -8.392 1.00 0.00 H new ATOM 0 H2' DG B 21 2.409 -12.298 -6.954 1.00 0.00 H new ATOM 0 H2'' DG B 21 3.533 -11.565 -8.082 1.00 0.00 H new ATOM 0 H1' DG B 21 3.304 -9.792 -6.632 1.00 0.00 H new ATOM 0 H8 DG B 21 -0.487 -10.558 -6.671 1.00 0.00 H new ATOM 0 H1 DG B 21 2.213 -9.486 -0.942 1.00 0.00 H new ATOM 0 H21 DG B 21 5.168 -9.232 -2.732 1.00 0.00 H new ATOM 0 H22 DG B 21 4.359 -9.179 -1.162 1.00 0.00 H new ATOM 661 P DA B 22 1.251 -13.724 -10.107 1.00 0.00 P ATOM 662 OP1 DA B 22 1.443 -14.049 -11.543 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.115 -13.761 -9.524 1.00 0.00 O ATOM 664 O5' DA B 22 2.183 -14.693 -9.255 1.00 0.00 O ATOM 665 C5' DA B 22 3.600 -14.514 -9.234 1.00 0.00 C ATOM 666 C4' DA B 22 4.192 -15.191 -8.021 1.00 0.00 C ATOM 667 O4' DA B 22 4.121 -14.295 -6.888 1.00 0.00 O ATOM 668 C3' DA B 22 3.463 -16.451 -7.567 1.00 0.00 C ATOM 669 O3' DA B 22 3.976 -17.599 -8.252 1.00 0.00 O ATOM 670 C2' DA B 22 3.792 -16.506 -6.089 1.00 0.00 C ATOM 671 C1' DA B 22 3.857 -15.034 -5.700 1.00 0.00 C ATOM 672 N9 DA B 22 2.622 -14.515 -5.113 1.00 0.00 N ATOM 673 C8 DA B 22 1.443 -14.201 -5.744 1.00 0.00 C ATOM 674 N7 DA B 22 0.513 -13.753 -4.934 1.00 0.00 N ATOM 675 C5 DA B 22 1.122 -13.775 -3.687 1.00 0.00 C ATOM 676 C6 DA B 22 0.668 -13.419 -2.405 1.00 0.00 C ATOM 677 N6 DA B 22 -0.557 -12.949 -2.156 1.00 0.00 N ATOM 678 N1 DA B 22 1.527 -13.562 -1.373 1.00 0.00 N ATOM 679 C2 DA B 22 2.757 -14.031 -1.623 1.00 0.00 C ATOM 680 N3 DA B 22 3.298 -14.397 -2.779 1.00 0.00 N ATOM 681 C4 DA B 22 2.419 -14.242 -3.783 1.00 0.00 C ATOM 0 H5' DA B 22 3.840 -13.451 -9.220 1.00 0.00 H new ATOM 0 H5'' DA B 22 4.040 -14.928 -10.142 1.00 0.00 H new ATOM 0 H4' DA B 22 5.204 -15.457 -8.327 1.00 0.00 H new ATOM 0 H3' DA B 22 2.392 -16.439 -7.770 1.00 0.00 H new ATOM 0 H2' DA B 22 3.027 -17.040 -5.524 1.00 0.00 H new ATOM 0 H2'' DA B 22 4.738 -17.015 -5.904 1.00 0.00 H new ATOM 0 H1' DA B 22 4.632 -14.932 -4.940 1.00 0.00 H new ATOM 0 H8 DA B 22 1.295 -14.313 -6.808 1.00 0.00 H new ATOM 0 H61 DA B 22 -0.827 -12.708 -1.202 1.00 0.00 H new ATOM 0 H62 DA B 22 -1.223 -12.831 -2.920 1.00 0.00 H new ATOM 0 H2 DA B 22 3.401 -14.125 -0.761 1.00 0.00 H new ATOM 693 P DG B 23 3.011 -18.850 -8.547 1.00 0.00 P ATOM 694 OP1 DG B 23 3.480 -19.476 -9.808 1.00 0.00 O ATOM 695 OP2 DG B 23 1.597 -18.409 -8.431 1.00 0.00 O ATOM 696 O5' DG B 23 3.312 -19.864 -7.355 1.00 0.00 O ATOM 697 C5' DG B 23 4.621 -19.970 -6.790 1.00 0.00 C ATOM 698 C4' DG B 23 4.533 -20.054 -5.285 1.00 0.00 C ATOM 699 O4' DG B 23 3.809 -18.912 -4.789 1.00 0.00 O ATOM 700 C3' DG B 23 3.770 -21.259 -4.748 1.00 0.00 C ATOM 701 O3' DG B 23 4.660 -22.366 -4.554 1.00 0.00 O ATOM 702 C2' DG B 23 3.234 -20.764 -3.414 1.00 0.00 C ATOM 703 C1' DG B 23 3.232 -19.239 -3.535 1.00 0.00 C ATOM 704 N9 DG B 23 1.905 -18.637 -3.483 1.00 0.00 N ATOM 705 C8 DG B 23 1.019 -18.482 -4.522 1.00 0.00 C ATOM 706 N7 DG B 23 -0.100 -17.914 -4.164 1.00 0.00 N ATOM 707 C5 DG B 23 0.057 -17.678 -2.805 1.00 0.00 C ATOM 708 C6 DG B 23 -0.828 -17.087 -1.865 1.00 0.00 C ATOM 709 O6 DG B 23 -1.966 -16.638 -2.051 1.00 0.00 O ATOM 710 N1 DG B 23 -0.269 -17.045 -0.591 1.00 0.00 N ATOM 711 C2 DG B 23 0.984 -17.513 -0.263 1.00 0.00 C ATOM 712 N2 DG B 23 1.367 -17.392 1.019 1.00 0.00 N ATOM 713 N3 DG B 23 1.815 -18.065 -1.130 1.00 0.00 N ATOM 714 C4 DG B 23 1.290 -18.116 -2.371 1.00 0.00 C ATOM 0 H5' DG B 23 5.221 -19.107 -7.079 1.00 0.00 H new ATOM 0 H5'' DG B 23 5.124 -20.854 -7.182 1.00 0.00 H new ATOM 0 H4' DG B 23 5.570 -20.117 -4.956 1.00 0.00 H new ATOM 0 H3' DG B 23 2.987 -21.609 -5.420 1.00 0.00 H new ATOM 0 H2' DG B 23 2.231 -21.147 -3.224 1.00 0.00 H new ATOM 0 H2'' DG B 23 3.863 -21.094 -2.588 1.00 0.00 H new ATOM 0 H1' DG B 23 3.788 -18.848 -2.683 1.00 0.00 H new ATOM 0 H8 DG B 23 1.228 -18.798 -5.533 1.00 0.00 H new ATOM 0 H1 DG B 23 -0.830 -16.637 0.157 1.00 0.00 H new ATOM 0 H21 DG B 23 2.286 -17.724 1.310 1.00 0.00 H new ATOM 0 H22 DG B 23 0.738 -16.968 1.701 1.00 0.00 H new ATOM 726 P DG B 24 4.292 -23.808 -5.165 1.00 0.00 P ATOM 727 OP1 DG B 24 5.468 -24.296 -5.929 1.00 0.00 O ATOM 728 OP2 DG B 24 2.971 -23.713 -5.836 1.00 0.00 O ATOM 729 O5' DG B 24 4.117 -24.738 -3.882 1.00 0.00 O ATOM 730 C5' DG B 24 5.165 -24.873 -2.919 1.00 0.00 C ATOM 731 C4' DG B 24 4.634 -25.512 -1.655 1.00 0.00 C ATOM 732 O4' DG B 24 4.090 -24.474 -0.803 1.00 0.00 O ATOM 733 C3' DG B 24 3.504 -26.520 -1.864 1.00 0.00 C ATOM 734 O3' DG B 24 4.012 -27.856 -1.862 1.00 0.00 O ATOM 735 C2' DG B 24 2.606 -26.292 -0.662 1.00 0.00 C ATOM 736 C1' DG B 24 2.767 -24.805 -0.409 1.00 0.00 C ATOM 737 N9 DG B 24 1.851 -23.957 -1.166 1.00 0.00 N ATOM 738 C8 DG B 24 1.845 -23.752 -2.524 1.00 0.00 C ATOM 739 N7 DG B 24 0.909 -22.935 -2.918 1.00 0.00 N ATOM 740 C5 DG B 24 0.252 -22.577 -1.749 1.00 0.00 C ATOM 741 C6 DG B 24 -0.856 -21.716 -1.543 1.00 0.00 C ATOM 742 O6 DG B 24 -1.496 -21.074 -2.381 1.00 0.00 O ATOM 743 N1 DG B 24 -1.201 -21.639 -0.199 1.00 0.00 N ATOM 744 C2 DG B 24 -0.567 -22.304 0.816 1.00 0.00 C ATOM 745 N2 DG B 24 -1.052 -22.097 2.043 1.00 0.00 N ATOM 746 N3 DG B 24 0.467 -23.111 0.641 1.00 0.00 N ATOM 747 C4 DG B 24 0.820 -23.201 -0.658 1.00 0.00 C ATOM 0 H5' DG B 24 5.587 -23.894 -2.691 1.00 0.00 H new ATOM 0 H5'' DG B 24 5.971 -25.480 -3.331 1.00 0.00 H new ATOM 0 H4' DG B 24 5.483 -26.045 -1.228 1.00 0.00 H new ATOM 0 H3' DG B 24 2.989 -26.392 -2.816 1.00 0.00 H new ATOM 0 H2' DG B 24 1.570 -26.558 -0.873 1.00 0.00 H new ATOM 0 H2'' DG B 24 2.919 -26.886 0.197 1.00 0.00 H new ATOM 0 HO3' DG B 24 3.274 -28.487 -1.995 1.00 0.00 H new ATOM 0 H1' DG B 24 2.550 -24.623 0.644 1.00 0.00 H new ATOM 0 H8 DG B 24 2.546 -24.221 -3.198 1.00 0.00 H new ATOM 0 H1 DG B 24 -1.988 -21.040 0.051 1.00 0.00 H new ATOM 0 H21 DG B 24 -0.626 -22.562 2.845 1.00 0.00 H new ATOM 0 H22 DG B 24 -1.848 -21.474 2.178 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 4.185 1.022 -0.342 1.00 0.00 PT HETATM 762 N1 1PT A 13 4.158 2.736 0.737 1.00 0.00 N HETATM 763 N2 1PT A 13 4.978 0.175 1.319 1.00 0.00 N HETATM 764 C1 1PT A 13 4.368 2.378 2.221 1.00 0.00 C HETATM 765 C2 1PT A 13 5.435 1.298 2.271 1.00 0.00 C HETATM 766 C3 1PT A 13 5.652 0.823 3.669 1.00 0.00 C HETATM 767 C4 1PT A 13 6.116 2.005 4.597 1.00 0.00 C HETATM 768 C5 1PT A 13 4.993 3.152 4.491 1.00 0.00 C HETATM 769 C6 1PT A 13 4.759 3.563 3.055 1.00 0.00 C HETATM 0 H62 1PT A 13 5.663 4.017 2.649 1.00 0.00 H new HETATM 0 H61 1PT A 13 3.975 4.319 3.011 1.00 0.00 H new HETATM 0 H52 1PT A 13 4.060 2.791 4.925 1.00 0.00 H new HETATM 0 H51 1PT A 13 5.301 4.020 5.074 1.00 0.00 H new HETATM 0 H42 1PT A 13 6.226 1.667 5.627 1.00 0.00 H new HETATM 0 H41 1PT A 13 7.087 2.385 4.281 1.00 0.00 H new HETATM 0 H32 1PT A 13 4.730 0.390 4.058 1.00 0.00 H new HETATM 0 H31 1PT A 13 6.403 0.033 3.677 1.00 0.00 H new HETATM 0 H2 1PT A 13 6.403 1.679 1.946 1.00 0.00 H new HETATM 0 H1 1PT A 13 3.429 2.025 2.646 1.00 0.00 H new