USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=6 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= -0.304 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc=-0.00103 (180deg=-0.00103) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.428 (180deg=-3.07!) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-0.017) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= -0.0318 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.144 -17.171 1.722 1.00 0.00 O ATOM 2 C5' DC A 1 -10.075 -18.539 2.139 1.00 0.00 C ATOM 3 C4' DC A 1 -8.651 -18.952 2.429 1.00 0.00 C ATOM 4 O4' DC A 1 -8.062 -19.488 1.229 1.00 0.00 O ATOM 5 C3' DC A 1 -7.721 -17.818 2.853 1.00 0.00 C ATOM 6 O3' DC A 1 -7.669 -17.728 4.281 1.00 0.00 O ATOM 7 C2' DC A 1 -6.365 -18.227 2.293 1.00 0.00 C ATOM 8 C1' DC A 1 -6.654 -19.374 1.326 1.00 0.00 C ATOM 9 N1 DC A 1 -6.122 -19.170 -0.033 1.00 0.00 N ATOM 10 C2 DC A 1 -4.991 -19.890 -0.431 1.00 0.00 C ATOM 11 O2 DC A 1 -4.467 -20.678 0.370 1.00 0.00 O ATOM 12 N3 DC A 1 -4.497 -19.709 -1.676 1.00 0.00 N ATOM 13 C4 DC A 1 -5.087 -18.849 -2.509 1.00 0.00 C ATOM 14 N4 DC A 1 -4.567 -18.703 -3.729 1.00 0.00 N ATOM 15 C5 DC A 1 -6.239 -18.099 -2.128 1.00 0.00 C ATOM 16 C6 DC A 1 -6.718 -18.291 -0.893 1.00 0.00 C ATOM 0 H5' DC A 1 -10.491 -19.180 1.362 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.686 -18.681 3.030 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.734 -19.661 3.252 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.047 -16.843 2.491 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.884 -17.394 1.781 1.00 0.00 H new ATOM 0 H2'' DC A 1 -5.691 -18.544 3.089 1.00 0.00 H new ATOM 0 HO5' DC A 1 -11.077 -16.931 1.539 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.165 -20.265 1.720 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.993 -18.054 -4.391 1.00 0.00 H new ATOM 0 H42 DC A 1 -3.743 -19.240 -4.000 1.00 0.00 H new ATOM 0 H5 DC A 1 -6.706 -17.403 -2.809 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.590 -17.742 -0.571 1.00 0.00 H new ATOM 29 P DC A 2 -7.052 -16.416 4.978 1.00 0.00 P ATOM 30 OP1 DC A 2 -7.558 -16.346 6.372 1.00 0.00 O ATOM 31 OP2 DC A 2 -7.277 -15.272 4.057 1.00 0.00 O ATOM 32 O5' DC A 2 -5.487 -16.709 5.025 1.00 0.00 O ATOM 33 C5' DC A 2 -4.942 -17.648 5.952 1.00 0.00 C ATOM 34 C4' DC A 2 -3.458 -17.416 6.117 1.00 0.00 C ATOM 35 O4' DC A 2 -2.756 -18.112 5.060 1.00 0.00 O ATOM 36 C3' DC A 2 -3.018 -15.958 6.008 1.00 0.00 C ATOM 37 O3' DC A 2 -2.963 -15.356 7.305 1.00 0.00 O ATOM 38 C2' DC A 2 -1.632 -16.064 5.402 1.00 0.00 C ATOM 39 C1' DC A 2 -1.750 -17.281 4.499 1.00 0.00 C ATOM 40 N1 DC A 2 -2.134 -16.984 3.108 1.00 0.00 N ATOM 41 C2 DC A 2 -1.221 -17.258 2.087 1.00 0.00 C ATOM 42 O2 DC A 2 -0.114 -17.729 2.386 1.00 0.00 O ATOM 43 N3 DC A 2 -1.564 -17.004 0.804 1.00 0.00 N ATOM 44 C4 DC A 2 -2.763 -16.489 0.526 1.00 0.00 C ATOM 45 N4 DC A 2 -3.059 -16.250 -0.753 1.00 0.00 N ATOM 46 C5 DC A 2 -3.713 -16.194 1.546 1.00 0.00 C ATOM 47 C6 DC A 2 -3.359 -16.455 2.811 1.00 0.00 C ATOM 0 H5' DC A 2 -5.122 -18.664 5.600 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.442 -17.551 6.916 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.228 -17.770 7.122 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.696 -15.341 5.418 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.367 -15.168 4.840 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.866 -16.200 6.166 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.764 -17.743 4.449 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.967 -15.857 -1.002 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.378 -16.461 -1.482 1.00 0.00 H new ATOM 0 H5 DC A 2 -4.680 -15.776 1.308 1.00 0.00 H new ATOM 0 H6 DC A 2 -4.054 -16.244 3.611 1.00 0.00 H new ATOM 59 P DT A 3 -3.406 -13.821 7.493 1.00 0.00 P ATOM 60 OP1 DT A 3 -3.704 -13.599 8.931 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.444 -13.517 6.475 1.00 0.00 O ATOM 62 O5' DT A 3 -2.097 -12.993 7.122 1.00 0.00 O ATOM 63 C5' DT A 3 -0.911 -13.092 7.915 1.00 0.00 C ATOM 64 C4' DT A 3 0.314 -13.039 7.032 1.00 0.00 C ATOM 65 O4' DT A 3 0.090 -13.851 5.859 1.00 0.00 O ATOM 66 C3' DT A 3 0.657 -11.657 6.487 1.00 0.00 C ATOM 67 O3' DT A 3 1.513 -10.959 7.400 1.00 0.00 O ATOM 68 C2' DT A 3 1.392 -11.974 5.194 1.00 0.00 C ATOM 69 C1' DT A 3 0.831 -13.329 4.764 1.00 0.00 C ATOM 70 N1 DT A 3 -0.063 -13.274 3.588 1.00 0.00 N ATOM 71 C2 DT A 3 0.502 -13.445 2.346 1.00 0.00 C ATOM 72 O2 DT A 3 1.694 -13.635 2.178 1.00 0.00 O ATOM 73 N3 DT A 3 -0.380 -13.385 1.302 1.00 0.00 N ATOM 74 C4 DT A 3 -1.740 -13.171 1.371 1.00 0.00 C ATOM 75 O4 DT A 3 -2.406 -13.144 0.340 1.00 0.00 O ATOM 76 C5 DT A 3 -2.269 -12.996 2.706 1.00 0.00 C ATOM 77 C7 DT A 3 -3.733 -12.737 2.879 1.00 0.00 C ATOM 78 C6 DT A 3 -1.417 -13.055 3.739 1.00 0.00 C ATOM 0 H5' DT A 3 -0.920 -14.024 8.481 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.881 -12.279 8.640 1.00 0.00 H new ATOM 0 H4' DT A 3 1.127 -13.378 7.674 1.00 0.00 H new ATOM 0 H3' DT A 3 -0.214 -11.018 6.340 1.00 0.00 H new ATOM 0 H2' DT A 3 1.213 -11.211 4.437 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.470 -12.021 5.350 1.00 0.00 H new ATOM 0 H1' DT A 3 1.679 -13.951 4.478 1.00 0.00 H new ATOM 0 H3 DT A 3 0.012 -13.513 0.369 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.064 -13.142 3.835 1.00 0.00 H new ATOM 0 H72 DT A 3 -3.918 -11.663 2.856 1.00 0.00 H new ATOM 0 H73 DT A 3 -4.285 -13.217 2.071 1.00 0.00 H new ATOM 0 H6 DT A 3 -1.809 -12.925 4.737 1.00 0.00 H new ATOM 91 P DC A 4 1.720 -9.371 7.247 1.00 0.00 P ATOM 92 OP1 DC A 4 2.558 -8.920 8.385 1.00 0.00 O ATOM 93 OP2 DC A 4 0.393 -8.742 7.019 1.00 0.00 O ATOM 94 O5' DC A 4 2.571 -9.218 5.908 1.00 0.00 O ATOM 95 C5' DC A 4 3.972 -9.500 5.886 1.00 0.00 C ATOM 96 C4' DC A 4 4.658 -8.653 4.839 1.00 0.00 C ATOM 97 O4' DC A 4 4.135 -9.006 3.536 1.00 0.00 O ATOM 98 C3' DC A 4 4.436 -7.149 4.981 1.00 0.00 C ATOM 99 O3' DC A 4 5.588 -6.425 4.534 1.00 0.00 O ATOM 100 C2' DC A 4 3.251 -6.880 4.074 1.00 0.00 C ATOM 101 C1' DC A 4 3.404 -7.923 2.976 1.00 0.00 C ATOM 102 N1 DC A 4 2.132 -8.460 2.461 1.00 0.00 N ATOM 103 C2 DC A 4 1.984 -8.647 1.082 1.00 0.00 C ATOM 104 O2 DC A 4 2.924 -8.351 0.328 1.00 0.00 O ATOM 105 N3 DC A 4 0.820 -9.143 0.604 1.00 0.00 N ATOM 106 C4 DC A 4 -0.171 -9.445 1.445 1.00 0.00 C ATOM 107 N4 DC A 4 -1.304 -9.925 0.929 1.00 0.00 N ATOM 108 C5 DC A 4 -0.049 -9.265 2.853 1.00 0.00 C ATOM 109 C6 DC A 4 1.110 -8.777 3.313 1.00 0.00 C ATOM 0 H5' DC A 4 4.134 -10.557 5.673 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.406 -9.302 6.866 1.00 0.00 H new ATOM 0 H4' DC A 4 5.722 -8.853 4.966 1.00 0.00 H new ATOM 0 H3' DC A 4 4.263 -6.839 6.012 1.00 0.00 H new ATOM 0 H2' DC A 4 2.305 -6.991 4.605 1.00 0.00 H new ATOM 0 H2'' DC A 4 3.274 -5.867 3.672 1.00 0.00 H new ATOM 0 H1' DC A 4 3.898 -7.438 2.134 1.00 0.00 H new ATOM 0 H41 DC A 4 -2.082 -10.166 1.543 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.392 -10.051 -0.079 1.00 0.00 H new ATOM 0 H5 DC A 4 -0.859 -9.512 3.523 1.00 0.00 H new ATOM 0 H6 DC A 4 1.240 -8.631 4.375 1.00 0.00 H new ATOM 121 P DT A 5 5.834 -4.919 5.043 1.00 0.00 P ATOM 122 OP1 DT A 5 7.045 -4.909 5.901 1.00 0.00 O ATOM 123 OP2 DT A 5 4.547 -4.408 5.583 1.00 0.00 O ATOM 124 O5' DT A 5 6.153 -4.107 3.708 1.00 0.00 O ATOM 125 C5' DT A 5 7.217 -4.504 2.841 1.00 0.00 C ATOM 126 C4' DT A 5 6.852 -4.226 1.401 1.00 0.00 C ATOM 127 O4' DT A 5 5.566 -4.832 1.119 1.00 0.00 O ATOM 128 C3' DT A 5 6.714 -2.744 1.039 1.00 0.00 C ATOM 129 O3' DT A 5 7.351 -2.483 -0.218 1.00 0.00 O ATOM 130 C2' DT A 5 5.214 -2.532 0.931 1.00 0.00 C ATOM 131 C1' DT A 5 4.725 -3.892 0.478 1.00 0.00 C ATOM 132 N1 DT A 5 3.329 -4.212 0.840 1.00 0.00 N ATOM 133 C2 DT A 5 2.509 -4.728 -0.138 1.00 0.00 C ATOM 134 O2 DT A 5 2.875 -4.913 -1.286 1.00 0.00 O ATOM 135 N3 DT A 5 1.236 -5.017 0.276 1.00 0.00 N ATOM 136 C4 DT A 5 0.710 -4.839 1.536 1.00 0.00 C ATOM 137 O4 DT A 5 -0.460 -5.136 1.756 1.00 0.00 O ATOM 138 C5 DT A 5 1.621 -4.288 2.514 1.00 0.00 C ATOM 139 C7 DT A 5 1.129 -4.043 3.906 1.00 0.00 C ATOM 140 C6 DT A 5 2.873 -4.004 2.126 1.00 0.00 C ATOM 0 H5' DT A 5 7.425 -5.566 2.972 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.128 -3.966 3.103 1.00 0.00 H new ATOM 0 H4' DT A 5 7.676 -4.635 0.817 1.00 0.00 H new ATOM 0 H3' DT A 5 7.179 -2.082 1.769 1.00 0.00 H new ATOM 0 H2' DT A 5 4.775 -2.240 1.885 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.965 -1.751 0.213 1.00 0.00 H new ATOM 0 H1' DT A 5 4.755 -3.911 -0.611 1.00 0.00 H new ATOM 0 H3 DT A 5 0.608 -5.407 -0.427 1.00 0.00 H new ATOM 0 H71 DT A 5 1.955 -4.151 4.608 1.00 0.00 H new ATOM 0 H72 DT A 5 0.723 -3.034 3.976 1.00 0.00 H new ATOM 0 H73 DT A 5 0.350 -4.765 4.149 1.00 0.00 H new ATOM 0 H6 DT A 5 3.557 -3.593 2.854 1.00 0.00 H new ATOM 153 P DG A 6 8.011 -1.043 -0.497 1.00 0.00 P ATOM 154 OP1 DG A 6 9.487 -1.188 -0.457 1.00 0.00 O ATOM 155 OP2 DG A 6 7.344 -0.062 0.397 1.00 0.00 O ATOM 156 O5' DG A 6 7.571 -0.700 -1.990 1.00 0.00 O ATOM 157 C5' DG A 6 8.327 -1.168 -3.109 1.00 0.00 C ATOM 158 C4' DG A 6 7.435 -1.309 -4.320 1.00 0.00 C ATOM 159 O4' DG A 6 6.417 -2.303 -4.047 1.00 0.00 O ATOM 160 C3' DG A 6 6.668 -0.050 -4.714 1.00 0.00 C ATOM 161 O3' DG A 6 7.417 0.731 -5.650 1.00 0.00 O ATOM 162 C2' DG A 6 5.415 -0.618 -5.353 1.00 0.00 C ATOM 163 C1' DG A 6 5.147 -1.829 -4.478 1.00 0.00 C ATOM 164 N9 DG A 6 4.353 -1.529 -3.290 1.00 0.00 N ATOM 165 C8 DG A 6 4.772 -0.861 -2.169 1.00 0.00 C ATOM 166 N7 DG A 6 3.838 -0.714 -1.273 1.00 0.00 N ATOM 167 C5 DG A 6 2.734 -1.351 -1.828 1.00 0.00 C ATOM 168 C6 DG A 6 1.424 -1.532 -1.317 1.00 0.00 C ATOM 169 O6 DG A 6 0.970 -1.177 -0.226 1.00 0.00 O ATOM 170 N1 DG A 6 0.610 -2.210 -2.218 1.00 0.00 N ATOM 171 C2 DG A 6 1.010 -2.669 -3.453 1.00 0.00 C ATOM 172 N2 DG A 6 0.084 -3.306 -4.190 1.00 0.00 N ATOM 173 N3 DG A 6 2.232 -2.516 -3.934 1.00 0.00 N ATOM 174 C4 DG A 6 3.035 -1.851 -3.078 1.00 0.00 C ATOM 0 H5' DG A 6 8.785 -2.128 -2.872 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.138 -0.473 -3.325 1.00 0.00 H new ATOM 0 H4' DG A 6 8.116 -1.566 -5.131 1.00 0.00 H new ATOM 0 H3' DG A 6 6.463 0.619 -3.878 1.00 0.00 H new ATOM 0 H2' DG A 6 4.588 0.092 -5.334 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.576 -0.893 -6.395 1.00 0.00 H new ATOM 0 H1' DG A 6 4.579 -2.553 -5.062 1.00 0.00 H new ATOM 0 H8 DG A 6 5.779 -0.492 -2.041 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.357 -2.380 -1.943 1.00 0.00 H new ATOM 0 H21 DG A 6 0.326 -3.667 -5.113 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.861 -3.429 -3.826 1.00 0.00 H new ATOM 186 P DG A 7 7.565 2.317 -5.423 1.00 0.00 P ATOM 187 OP1 DG A 7 8.374 2.855 -6.545 1.00 0.00 O ATOM 188 OP2 DG A 7 8.003 2.550 -4.024 1.00 0.00 O ATOM 189 O5' DG A 7 6.077 2.868 -5.573 1.00 0.00 O ATOM 190 C5' DG A 7 5.268 2.499 -6.689 1.00 0.00 C ATOM 191 C4' DG A 7 3.958 3.251 -6.665 1.00 0.00 C ATOM 192 O4' DG A 7 2.942 2.403 -6.085 1.00 0.00 O ATOM 193 C3' DG A 7 3.942 4.523 -5.823 1.00 0.00 C ATOM 194 O3' DG A 7 4.355 5.645 -6.613 1.00 0.00 O ATOM 195 C2' DG A 7 2.483 4.637 -5.423 1.00 0.00 C ATOM 196 C1' DG A 7 2.019 3.186 -5.339 1.00 0.00 C ATOM 197 N9 DG A 7 1.979 2.655 -3.982 1.00 0.00 N ATOM 198 C8 DG A 7 3.041 2.213 -3.231 1.00 0.00 C ATOM 199 N7 DG A 7 2.695 1.814 -2.037 1.00 0.00 N ATOM 200 C5 DG A 7 1.321 2.000 -2.001 1.00 0.00 C ATOM 201 C6 DG A 7 0.393 1.745 -0.965 1.00 0.00 C ATOM 202 O6 DG A 7 0.610 1.309 0.169 1.00 0.00 O ATOM 203 N1 DG A 7 -0.905 2.058 -1.351 1.00 0.00 N ATOM 204 C2 DG A 7 -1.261 2.563 -2.576 1.00 0.00 C ATOM 205 N2 DG A 7 -2.564 2.802 -2.762 1.00 0.00 N ATOM 206 N3 DG A 7 -0.403 2.814 -3.549 1.00 0.00 N ATOM 207 C4 DG A 7 0.863 2.509 -3.196 1.00 0.00 C ATOM 0 H5' DG A 7 5.078 1.426 -6.669 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.799 2.712 -7.617 1.00 0.00 H new ATOM 0 H4' DG A 7 3.788 3.529 -7.705 1.00 0.00 H new ATOM 0 H3' DG A 7 4.617 4.498 -4.968 1.00 0.00 H new ATOM 0 H2' DG A 7 2.368 5.150 -4.468 1.00 0.00 H new ATOM 0 H2'' DG A 7 1.908 5.200 -6.159 1.00 0.00 H new ATOM 0 H1' DG A 7 1.001 3.146 -5.725 1.00 0.00 H new ATOM 0 H8 DG A 7 4.059 2.197 -3.592 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.650 1.900 -0.672 1.00 0.00 H new ATOM 0 H21 DG A 7 -2.892 3.178 -3.652 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.230 2.608 -2.014 1.00 0.00 H new ATOM 219 P DT A 8 4.511 7.093 -5.928 1.00 0.00 P ATOM 220 OP1 DT A 8 5.451 7.877 -6.769 1.00 0.00 O ATOM 221 OP2 DT A 8 4.801 6.907 -4.484 1.00 0.00 O ATOM 222 O5' DT A 8 3.062 7.743 -6.068 1.00 0.00 O ATOM 223 C5' DT A 8 2.258 7.488 -7.218 1.00 0.00 C ATOM 224 C4' DT A 8 0.798 7.734 -6.914 1.00 0.00 C ATOM 225 O4' DT A 8 0.424 6.951 -5.754 1.00 0.00 O ATOM 226 C3' DT A 8 0.435 9.184 -6.589 1.00 0.00 C ATOM 227 O3' DT A 8 -0.808 9.533 -7.205 1.00 0.00 O ATOM 228 C2' DT A 8 0.304 9.197 -5.077 1.00 0.00 C ATOM 229 C1' DT A 8 -0.136 7.781 -4.753 1.00 0.00 C ATOM 230 N1 DT A 8 0.335 7.294 -3.445 1.00 0.00 N ATOM 231 C2 DT A 8 -0.596 6.926 -2.500 1.00 0.00 C ATOM 232 O2 DT A 8 -1.798 6.953 -2.702 1.00 0.00 O ATOM 233 N3 DT A 8 -0.067 6.518 -1.305 1.00 0.00 N ATOM 234 C4 DT A 8 1.267 6.442 -0.967 1.00 0.00 C ATOM 235 O4 DT A 8 1.591 6.045 0.150 1.00 0.00 O ATOM 236 C5 DT A 8 2.194 6.836 -2.007 1.00 0.00 C ATOM 237 C7 DT A 8 3.663 6.809 -1.710 1.00 0.00 C ATOM 238 C6 DT A 8 1.689 7.230 -3.190 1.00 0.00 C ATOM 0 H5' DT A 8 2.398 6.458 -7.545 1.00 0.00 H new ATOM 0 H5'' DT A 8 2.577 8.129 -8.040 1.00 0.00 H new ATOM 0 H4' DT A 8 0.269 7.459 -7.827 1.00 0.00 H new ATOM 0 H3' DT A 8 1.173 9.899 -6.952 1.00 0.00 H new ATOM 0 H2' DT A 8 1.249 9.445 -4.593 1.00 0.00 H new ATOM 0 H2'' DT A 8 -0.428 9.932 -4.743 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.225 7.764 -4.718 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.734 6.239 -0.585 1.00 0.00 H new ATOM 0 H71 DT A 8 3.823 7.004 -0.650 1.00 0.00 H new ATOM 0 H72 DT A 8 4.068 5.829 -1.964 1.00 0.00 H new ATOM 0 H73 DT A 8 4.168 7.574 -2.300 1.00 0.00 H new ATOM 0 H6 DT A 8 2.375 7.509 -3.976 1.00 0.00 H new ATOM 251 P DC A 9 -1.226 11.081 -7.346 1.00 0.00 P ATOM 252 OP1 DC A 9 -1.883 11.237 -8.669 1.00 0.00 O ATOM 253 OP2 DC A 9 -0.053 11.927 -7.007 1.00 0.00 O ATOM 254 O5' DC A 9 -2.330 11.284 -6.215 1.00 0.00 O ATOM 255 C5' DC A 9 -3.722 11.142 -6.509 1.00 0.00 C ATOM 256 C4' DC A 9 -4.550 11.611 -5.338 1.00 0.00 C ATOM 257 O4' DC A 9 -4.239 10.787 -4.195 1.00 0.00 O ATOM 258 C3' DC A 9 -4.280 13.048 -4.897 1.00 0.00 C ATOM 259 O3' DC A 9 -5.221 13.931 -5.521 1.00 0.00 O ATOM 260 C2' DC A 9 -4.504 13.008 -3.394 1.00 0.00 C ATOM 261 C1' DC A 9 -4.286 11.549 -2.999 1.00 0.00 C ATOM 262 N1 DC A 9 -3.045 11.277 -2.251 1.00 0.00 N ATOM 263 C2 DC A 9 -3.144 10.861 -0.923 1.00 0.00 C ATOM 264 O2 DC A 9 -4.267 10.759 -0.412 1.00 0.00 O ATOM 265 N3 DC A 9 -2.016 10.582 -0.229 1.00 0.00 N ATOM 266 C4 DC A 9 -0.825 10.711 -0.816 1.00 0.00 C ATOM 267 N4 DC A 9 0.260 10.426 -0.093 1.00 0.00 N ATOM 268 C5 DC A 9 -0.691 11.138 -2.168 1.00 0.00 C ATOM 269 C6 DC A 9 -1.818 11.414 -2.842 1.00 0.00 C ATOM 0 H5' DC A 9 -3.950 10.100 -6.731 1.00 0.00 H new ATOM 0 H5'' DC A 9 -3.975 11.720 -7.398 1.00 0.00 H new ATOM 0 H4' DC A 9 -5.585 11.546 -5.673 1.00 0.00 H new ATOM 0 H3' DC A 9 -3.285 13.404 -5.165 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.808 13.666 -2.874 1.00 0.00 H new ATOM 0 H2'' DC A 9 -5.510 13.340 -3.136 1.00 0.00 H new ATOM 0 H1' DC A 9 -5.107 11.287 -2.332 1.00 0.00 H new ATOM 0 H41 DC A 9 1.187 10.513 -0.509 1.00 0.00 H new ATOM 0 H42 DC A 9 0.162 10.121 0.875 1.00 0.00 H new ATOM 0 H5 DC A 9 0.279 11.236 -2.632 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.756 11.749 -3.867 1.00 0.00 H new ATOM 281 P DT A 10 -4.700 15.189 -6.381 1.00 0.00 P ATOM 282 OP1 DT A 10 -5.571 15.289 -7.579 1.00 0.00 O ATOM 283 OP2 DT A 10 -3.228 15.082 -6.552 1.00 0.00 O ATOM 284 O5' DT A 10 -4.996 16.447 -5.449 1.00 0.00 O ATOM 285 C5' DT A 10 -6.331 16.779 -5.054 1.00 0.00 C ATOM 286 C4' DT A 10 -6.325 17.393 -3.674 1.00 0.00 C ATOM 287 O4' DT A 10 -5.854 16.399 -2.739 1.00 0.00 O ATOM 288 C3' DT A 10 -5.392 18.592 -3.515 1.00 0.00 C ATOM 289 O3' DT A 10 -6.117 19.822 -3.629 1.00 0.00 O ATOM 290 C2' DT A 10 -4.838 18.450 -2.108 1.00 0.00 C ATOM 291 C1' DT A 10 -5.072 17.000 -1.720 1.00 0.00 C ATOM 292 N1 DT A 10 -3.819 16.244 -1.598 1.00 0.00 N ATOM 293 C2 DT A 10 -3.528 15.642 -0.398 1.00 0.00 C ATOM 294 O2 DT A 10 -4.274 15.683 0.565 1.00 0.00 O ATOM 295 N3 DT A 10 -2.330 14.985 -0.366 1.00 0.00 N ATOM 296 C4 DT A 10 -1.422 14.854 -1.396 1.00 0.00 C ATOM 297 O4 DT A 10 -0.388 14.216 -1.219 1.00 0.00 O ATOM 298 C5 DT A 10 -1.799 15.500 -2.635 1.00 0.00 C ATOM 299 C7 DT A 10 -0.902 15.367 -3.827 1.00 0.00 C ATOM 300 C6 DT A 10 -2.962 16.165 -2.673 1.00 0.00 C ATOM 0 H5' DT A 10 -6.954 15.884 -5.060 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.768 17.476 -5.769 1.00 0.00 H new ATOM 0 H4' DT A 10 -7.346 17.732 -3.497 1.00 0.00 H new ATOM 0 H3' DT A 10 -4.617 18.612 -4.281 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.777 18.697 -2.078 1.00 0.00 H new ATOM 0 H2'' DT A 10 -5.343 19.126 -1.418 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.568 16.983 -0.750 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.079 14.542 0.518 1.00 0.00 H new ATOM 0 H71 DT A 10 0.131 15.260 -3.495 1.00 0.00 H new ATOM 0 H72 DT A 10 -1.191 14.488 -4.404 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.992 16.256 -4.451 1.00 0.00 H new ATOM 0 H6 DT A 10 -3.240 16.663 -3.590 1.00 0.00 H new ATOM 313 P DC A 11 -5.354 21.222 -3.409 1.00 0.00 P ATOM 314 OP1 DC A 11 -6.300 22.306 -3.778 1.00 0.00 O ATOM 315 OP2 DC A 11 -4.032 21.145 -4.081 1.00 0.00 O ATOM 316 O5' DC A 11 -5.106 21.293 -1.835 1.00 0.00 O ATOM 317 C5' DC A 11 -6.175 21.593 -0.934 1.00 0.00 C ATOM 318 C4' DC A 11 -5.663 21.683 0.485 1.00 0.00 C ATOM 319 O4' DC A 11 -4.739 20.595 0.734 1.00 0.00 O ATOM 320 C3' DC A 11 -4.908 22.970 0.826 1.00 0.00 C ATOM 321 O3' DC A 11 -5.314 23.429 2.121 1.00 0.00 O ATOM 322 C2' DC A 11 -3.445 22.560 0.812 1.00 0.00 C ATOM 323 C1' DC A 11 -3.482 21.084 1.171 1.00 0.00 C ATOM 324 N1 DC A 11 -2.446 20.262 0.526 1.00 0.00 N ATOM 325 C2 DC A 11 -1.692 19.377 1.309 1.00 0.00 C ATOM 326 O2 DC A 11 -1.877 19.349 2.534 1.00 0.00 O ATOM 327 N3 DC A 11 -0.781 18.575 0.710 1.00 0.00 N ATOM 328 C4 DC A 11 -0.607 18.636 -0.612 1.00 0.00 C ATOM 329 N4 DC A 11 0.299 17.812 -1.155 1.00 0.00 N ATOM 330 C5 DC A 11 -1.351 19.543 -1.432 1.00 0.00 C ATOM 331 C6 DC A 11 -2.240 20.337 -0.822 1.00 0.00 C ATOM 0 H5' DC A 11 -6.942 20.822 -1.002 1.00 0.00 H new ATOM 0 H5'' DC A 11 -6.644 22.535 -1.218 1.00 0.00 H new ATOM 0 H4' DC A 11 -6.561 21.649 1.102 1.00 0.00 H new ATOM 0 H3' DC A 11 -5.101 23.787 0.131 1.00 0.00 H new ATOM 0 H2' DC A 11 -2.993 22.723 -0.166 1.00 0.00 H new ATOM 0 H2'' DC A 11 -2.861 23.133 1.533 1.00 0.00 H new ATOM 0 H1' DC A 11 -3.309 21.010 2.245 1.00 0.00 H new ATOM 0 H41 DC A 11 0.463 17.826 -2.162 1.00 0.00 H new ATOM 0 H42 DC A 11 0.825 17.170 -0.562 1.00 0.00 H new ATOM 0 H5 DC A 11 -1.201 19.585 -2.501 1.00 0.00 H new ATOM 0 H6 DC A 11 -2.804 21.049 -1.406 1.00 0.00 H new ATOM 343 P DC A 12 -5.067 24.960 2.543 1.00 0.00 P ATOM 344 OP1 DC A 12 -6.349 25.697 2.395 1.00 0.00 O ATOM 345 OP2 DC A 12 -3.859 25.439 1.824 1.00 0.00 O ATOM 346 O5' DC A 12 -4.712 24.878 4.094 1.00 0.00 O ATOM 347 C5' DC A 12 -5.374 23.945 4.953 1.00 0.00 C ATOM 348 C4' DC A 12 -4.389 23.356 5.935 1.00 0.00 C ATOM 349 O4' DC A 12 -3.236 22.891 5.210 1.00 0.00 O ATOM 350 C3' DC A 12 -3.844 24.341 6.965 1.00 0.00 C ATOM 351 O3' DC A 12 -4.619 24.293 8.166 1.00 0.00 O ATOM 352 C2' DC A 12 -2.432 23.844 7.230 1.00 0.00 C ATOM 353 C1' DC A 12 -2.102 22.921 6.058 1.00 0.00 C ATOM 354 N1 DC A 12 -0.956 23.367 5.254 1.00 0.00 N ATOM 355 C2 DC A 12 0.255 22.678 5.355 1.00 0.00 C ATOM 356 O2 DC A 12 0.331 21.704 6.118 1.00 0.00 O ATOM 357 N3 DC A 12 1.312 23.090 4.618 1.00 0.00 N ATOM 358 C4 DC A 12 1.187 24.140 3.805 1.00 0.00 C ATOM 359 N4 DC A 12 2.251 24.512 3.094 1.00 0.00 N ATOM 360 C5 DC A 12 -0.036 24.859 3.681 1.00 0.00 C ATOM 361 C6 DC A 12 -1.071 24.443 4.420 1.00 0.00 C ATOM 0 H5' DC A 12 -5.827 23.151 4.360 1.00 0.00 H new ATOM 0 H5'' DC A 12 -6.182 24.443 5.490 1.00 0.00 H new ATOM 0 H4' DC A 12 -4.943 22.577 6.459 1.00 0.00 H new ATOM 0 H3' DC A 12 -3.875 25.374 6.617 1.00 0.00 H new ATOM 0 H2' DC A 12 -1.727 24.674 7.288 1.00 0.00 H new ATOM 0 H2'' DC A 12 -2.374 23.311 8.179 1.00 0.00 H new ATOM 0 HO3' DC A 12 -4.255 24.929 8.816 1.00 0.00 H new ATOM 0 H1' DC A 12 -1.842 21.948 6.474 1.00 0.00 H new ATOM 0 H41 DC A 12 2.189 25.311 2.463 1.00 0.00 H new ATOM 0 H42 DC A 12 3.128 23.998 3.181 1.00 0.00 H new ATOM 0 H5 DC A 12 -0.125 25.706 3.017 1.00 0.00 H new ATOM 0 H6 DC A 12 -2.013 24.967 4.356 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 10.453 18.684 7.650 1.00 0.00 O ATOM 376 C5' DG B 13 9.873 18.556 8.953 1.00 0.00 C ATOM 377 C4' DG B 13 8.614 17.721 8.912 1.00 0.00 C ATOM 378 O4' DG B 13 7.508 18.560 8.494 1.00 0.00 O ATOM 379 C3' DG B 13 8.640 16.554 7.926 1.00 0.00 C ATOM 380 O3' DG B 13 7.857 15.465 8.432 1.00 0.00 O ATOM 381 C2' DG B 13 8.007 17.151 6.683 1.00 0.00 C ATOM 382 C1' DG B 13 6.957 18.068 7.281 1.00 0.00 C ATOM 383 N9 DG B 13 6.607 19.213 6.447 1.00 0.00 N ATOM 384 C8 DG B 13 7.456 19.950 5.656 1.00 0.00 C ATOM 385 N7 DG B 13 6.857 20.917 5.021 1.00 0.00 N ATOM 386 C5 DG B 13 5.529 20.816 5.415 1.00 0.00 C ATOM 387 C6 DG B 13 4.406 21.598 5.055 1.00 0.00 C ATOM 388 O6 DG B 13 4.359 22.565 4.291 1.00 0.00 O ATOM 389 N1 DG B 13 3.246 21.155 5.685 1.00 0.00 N ATOM 390 C2 DG B 13 3.180 20.088 6.558 1.00 0.00 C ATOM 391 N2 DG B 13 1.976 19.795 7.084 1.00 0.00 N ATOM 392 N3 DG B 13 4.225 19.351 6.898 1.00 0.00 N ATOM 393 C4 DG B 13 5.359 19.769 6.296 1.00 0.00 C ATOM 0 H5' DG B 13 9.644 19.545 9.350 1.00 0.00 H new ATOM 0 H5'' DG B 13 10.594 18.099 9.631 1.00 0.00 H new ATOM 0 H4' DG B 13 8.517 17.313 9.918 1.00 0.00 H new ATOM 0 H3' DG B 13 9.636 16.150 7.744 1.00 0.00 H new ATOM 0 H2' DG B 13 8.730 17.697 6.078 1.00 0.00 H new ATOM 0 H2'' DG B 13 7.566 16.388 6.042 1.00 0.00 H new ATOM 0 HO5' DG B 13 11.265 19.230 7.705 1.00 0.00 H new ATOM 0 H1' DG B 13 6.039 17.493 7.403 1.00 0.00 H new ATOM 0 H8 DG B 13 8.513 19.748 5.570 1.00 0.00 H new ATOM 0 H1 DG B 13 2.380 21.657 5.487 1.00 0.00 H new ATOM 0 H21 DG B 13 1.880 19.015 7.734 1.00 0.00 H new ATOM 0 H22 DG B 13 1.160 20.353 6.833 1.00 0.00 H new ATOM 406 P DG B 14 7.841 14.055 7.656 1.00 0.00 P ATOM 407 OP1 DG B 14 8.561 13.077 8.510 1.00 0.00 O ATOM 408 OP2 DG B 14 8.279 14.264 6.252 1.00 0.00 O ATOM 409 O5' DG B 14 6.301 13.647 7.640 1.00 0.00 O ATOM 410 C5' DG B 14 5.436 14.012 8.718 1.00 0.00 C ATOM 411 C4' DG B 14 4.004 13.666 8.386 1.00 0.00 C ATOM 412 O4' DG B 14 3.657 14.252 7.112 1.00 0.00 O ATOM 413 C3' DG B 14 3.712 12.166 8.254 1.00 0.00 C ATOM 414 O3' DG B 14 2.910 11.741 9.367 1.00 0.00 O ATOM 415 C2' DG B 14 2.966 12.039 6.930 1.00 0.00 C ATOM 416 C1' DG B 14 2.645 13.465 6.533 1.00 0.00 C ATOM 417 N9 DG B 14 2.648 13.707 5.094 1.00 0.00 N ATOM 418 C8 DG B 14 3.382 13.035 4.151 1.00 0.00 C ATOM 419 N7 DG B 14 3.199 13.481 2.940 1.00 0.00 N ATOM 420 C5 DG B 14 2.276 14.506 3.090 1.00 0.00 C ATOM 421 C6 DG B 14 1.678 15.353 2.123 1.00 0.00 C ATOM 422 O6 DG B 14 1.854 15.372 0.899 1.00 0.00 O ATOM 423 N1 DG B 14 0.789 16.247 2.706 1.00 0.00 N ATOM 424 C2 DG B 14 0.516 16.327 4.047 1.00 0.00 C ATOM 425 N2 DG B 14 -0.341 17.290 4.413 1.00 0.00 N ATOM 426 N3 DG B 14 1.050 15.533 4.959 1.00 0.00 N ATOM 427 C4 DG B 14 1.920 14.655 4.415 1.00 0.00 C ATOM 0 H5' DG B 14 5.522 15.081 8.915 1.00 0.00 H new ATOM 0 H5'' DG B 14 5.740 13.494 9.628 1.00 0.00 H new ATOM 0 H4' DG B 14 3.424 14.051 9.225 1.00 0.00 H new ATOM 0 H3' DG B 14 4.606 11.542 8.261 1.00 0.00 H new ATOM 0 H2' DG B 14 3.579 11.546 6.175 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.059 11.445 7.042 1.00 0.00 H new ATOM 0 H1' DG B 14 1.635 13.699 6.871 1.00 0.00 H new ATOM 0 H8 DG B 14 4.046 12.217 4.388 1.00 0.00 H new ATOM 0 H1 DG B 14 0.301 16.895 2.088 1.00 0.00 H new ATOM 0 H21 DG B 14 -0.589 17.406 5.396 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.746 17.907 3.709 1.00 0.00 H new ATOM 439 P DA B 15 1.996 10.420 9.251 1.00 0.00 P ATOM 440 OP1 DA B 15 1.831 9.850 10.612 1.00 0.00 O ATOM 441 OP2 DA B 15 2.536 9.566 8.161 1.00 0.00 O ATOM 442 O5' DA B 15 0.582 10.987 8.785 1.00 0.00 O ATOM 443 C5' DA B 15 0.118 12.262 9.236 1.00 0.00 C ATOM 444 C4' DA B 15 -1.393 12.284 9.291 1.00 0.00 C ATOM 445 O4' DA B 15 -1.906 12.855 8.068 1.00 0.00 O ATOM 446 C3' DA B 15 -2.062 10.918 9.407 1.00 0.00 C ATOM 447 O3' DA B 15 -3.309 11.037 10.103 1.00 0.00 O ATOM 448 C2' DA B 15 -2.285 10.511 7.960 1.00 0.00 C ATOM 449 C1' DA B 15 -2.343 11.827 7.190 1.00 0.00 C ATOM 450 N9 DA B 15 -1.491 11.870 6.002 1.00 0.00 N ATOM 451 C8 DA B 15 -0.240 11.325 5.845 1.00 0.00 C ATOM 452 N7 DA B 15 0.286 11.542 4.663 1.00 0.00 N ATOM 453 C5 DA B 15 -0.686 12.274 3.995 1.00 0.00 C ATOM 454 C6 DA B 15 -0.736 12.817 2.700 1.00 0.00 C ATOM 455 N6 DA B 15 0.261 12.714 1.819 1.00 0.00 N ATOM 456 N1 DA B 15 -1.853 13.486 2.341 1.00 0.00 N ATOM 457 C2 DA B 15 -2.843 13.604 3.238 1.00 0.00 C ATOM 458 N3 DA B 15 -2.909 13.146 4.486 1.00 0.00 N ATOM 459 C4 DA B 15 -1.787 12.480 4.806 1.00 0.00 C ATOM 0 H5' DA B 15 0.475 13.044 8.566 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.527 12.477 10.223 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.622 12.857 10.190 1.00 0.00 H new ATOM 0 H3' DA B 15 -1.470 10.191 9.962 1.00 0.00 H new ATOM 0 H2' DA B 15 -1.476 9.876 7.598 1.00 0.00 H new ATOM 0 H2'' DA B 15 -3.209 9.945 7.846 1.00 0.00 H new ATOM 0 H1' DA B 15 -3.370 11.948 6.846 1.00 0.00 H new ATOM 0 H8 DA B 15 0.264 10.770 6.622 1.00 0.00 H new ATOM 0 H61 DA B 15 0.167 13.129 0.892 1.00 0.00 H new ATOM 0 H62 DA B 15 1.117 12.220 2.073 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.712 14.149 2.899 1.00 0.00 H new ATOM 471 P DG B 16 -3.659 10.018 11.297 1.00 0.00 P ATOM 472 OP1 DG B 16 -4.633 10.685 12.198 1.00 0.00 O ATOM 473 OP2 DG B 16 -2.382 9.502 11.852 1.00 0.00 O ATOM 474 O5' DG B 16 -4.403 8.813 10.567 1.00 0.00 O ATOM 475 C5' DG B 16 -5.603 9.035 9.825 1.00 0.00 C ATOM 476 C4' DG B 16 -5.636 8.149 8.601 1.00 0.00 C ATOM 477 O4' DG B 16 -4.716 8.658 7.615 1.00 0.00 O ATOM 478 C3' DG B 16 -5.206 6.699 8.826 1.00 0.00 C ATOM 479 O3' DG B 16 -6.360 5.870 9.009 1.00 0.00 O ATOM 480 C2' DG B 16 -4.470 6.326 7.543 1.00 0.00 C ATOM 481 C1' DG B 16 -4.449 7.606 6.716 1.00 0.00 C ATOM 482 N9 DG B 16 -3.181 7.889 6.049 1.00 0.00 N ATOM 483 C8 DG B 16 -1.914 7.703 6.548 1.00 0.00 C ATOM 484 N7 DG B 16 -0.974 8.033 5.704 1.00 0.00 N ATOM 485 C5 DG B 16 -1.663 8.467 4.579 1.00 0.00 C ATOM 486 C6 DG B 16 -1.184 8.946 3.331 1.00 0.00 C ATOM 487 O6 DG B 16 -0.012 9.087 2.956 1.00 0.00 O ATOM 488 N1 DG B 16 -2.227 9.277 2.474 1.00 0.00 N ATOM 489 C2 DG B 16 -3.565 9.161 2.777 1.00 0.00 C ATOM 490 N2 DG B 16 -4.437 9.528 1.831 1.00 0.00 N ATOM 491 N3 DG B 16 -4.022 8.716 3.933 1.00 0.00 N ATOM 492 C4 DG B 16 -3.026 8.387 4.779 1.00 0.00 C ATOM 0 H5' DG B 16 -5.665 10.081 9.526 1.00 0.00 H new ATOM 0 H5'' DG B 16 -6.470 8.831 10.453 1.00 0.00 H new ATOM 0 H4' DG B 16 -6.683 8.159 8.297 1.00 0.00 H new ATOM 0 H3' DG B 16 -4.584 6.570 9.712 1.00 0.00 H new ATOM 0 H2' DG B 16 -3.460 5.976 7.755 1.00 0.00 H new ATOM 0 H2'' DG B 16 -4.981 5.522 7.014 1.00 0.00 H new ATOM 0 H1' DG B 16 -5.183 7.495 5.918 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.716 7.322 7.539 1.00 0.00 H new ATOM 0 H1 DG B 16 -1.982 9.633 1.550 1.00 0.00 H new ATOM 0 H21 DG B 16 -5.439 9.461 2.008 1.00 0.00 H new ATOM 0 H22 DG B 16 -4.099 9.875 0.933 1.00 0.00 H new ATOM 504 P DA B 17 -6.191 4.277 9.144 1.00 0.00 P ATOM 505 OP1 DA B 17 -7.259 3.772 10.041 1.00 0.00 O ATOM 506 OP2 DA B 17 -4.768 3.995 9.467 1.00 0.00 O ATOM 507 O5' DA B 17 -6.476 3.735 7.673 1.00 0.00 O ATOM 508 C5' DA B 17 -7.589 4.212 6.916 1.00 0.00 C ATOM 509 C4' DA B 17 -7.442 3.819 5.464 1.00 0.00 C ATOM 510 O4' DA B 17 -6.416 4.625 4.851 1.00 0.00 O ATOM 511 C3' DA B 17 -6.994 2.382 5.223 1.00 0.00 C ATOM 512 O3' DA B 17 -8.123 1.502 5.151 1.00 0.00 O ATOM 513 C2' DA B 17 -6.294 2.461 3.876 1.00 0.00 C ATOM 514 C1' DA B 17 -5.882 3.926 3.735 1.00 0.00 C ATOM 515 N9 DA B 17 -4.434 4.123 3.723 1.00 0.00 N ATOM 516 C8 DA B 17 -3.546 3.894 4.744 1.00 0.00 C ATOM 517 N7 DA B 17 -2.299 4.137 4.425 1.00 0.00 N ATOM 518 C5 DA B 17 -2.370 4.561 3.105 1.00 0.00 C ATOM 519 C6 DA B 17 -1.387 4.971 2.188 1.00 0.00 C ATOM 520 N6 DA B 17 -0.086 5.026 2.476 1.00 0.00 N ATOM 521 N1 DA B 17 -1.791 5.327 0.949 1.00 0.00 N ATOM 522 C2 DA B 17 -3.100 5.281 0.665 1.00 0.00 C ATOM 523 N3 DA B 17 -4.117 4.920 1.443 1.00 0.00 N ATOM 524 C4 DA B 17 -3.679 4.565 2.663 1.00 0.00 C ATOM 0 H5' DA B 17 -7.658 5.296 7.001 1.00 0.00 H new ATOM 0 H5'' DA B 17 -8.515 3.801 7.319 1.00 0.00 H new ATOM 0 H4' DA B 17 -8.441 3.955 5.049 1.00 0.00 H new ATOM 0 H3' DA B 17 -6.359 1.993 6.019 1.00 0.00 H new ATOM 0 H2' DA B 17 -5.427 1.801 3.842 1.00 0.00 H new ATOM 0 H2'' DA B 17 -6.958 2.157 3.067 1.00 0.00 H new ATOM 0 H1' DA B 17 -6.261 4.290 2.780 1.00 0.00 H new ATOM 0 H8 DA B 17 -3.848 3.545 5.721 1.00 0.00 H new ATOM 0 H61 DA B 17 0.581 5.332 1.767 1.00 0.00 H new ATOM 0 H62 DA B 17 0.242 4.762 3.405 1.00 0.00 H new ATOM 0 H2 DA B 17 -3.367 5.579 -0.338 1.00 0.00 H new ATOM 536 P DC B 18 -7.896 -0.063 4.854 1.00 0.00 P ATOM 537 OP1 DC B 18 -9.124 -0.793 5.257 1.00 0.00 O ATOM 538 OP2 DC B 18 -6.587 -0.450 5.440 1.00 0.00 O ATOM 539 O5' DC B 18 -7.762 -0.143 3.268 1.00 0.00 O ATOM 540 C5' DC B 18 -8.867 0.169 2.416 1.00 0.00 C ATOM 541 C4' DC B 18 -8.374 0.533 1.035 1.00 0.00 C ATOM 542 O4' DC B 18 -7.227 1.402 1.169 1.00 0.00 O ATOM 543 C3' DC B 18 -7.898 -0.644 0.188 1.00 0.00 C ATOM 544 O3' DC B 18 -8.960 -1.124 -0.646 1.00 0.00 O ATOM 545 C2' DC B 18 -6.791 -0.045 -0.665 1.00 0.00 C ATOM 546 C1' DC B 18 -6.293 1.158 0.129 1.00 0.00 C ATOM 547 N1 DC B 18 -4.970 0.955 0.742 1.00 0.00 N ATOM 548 C2 DC B 18 -3.830 1.270 0.001 1.00 0.00 C ATOM 549 O2 DC B 18 -3.965 1.722 -1.144 1.00 0.00 O ATOM 550 N3 DC B 18 -2.609 1.075 0.549 1.00 0.00 N ATOM 551 C4 DC B 18 -2.507 0.595 1.790 1.00 0.00 C ATOM 552 N4 DC B 18 -1.285 0.426 2.294 1.00 0.00 N ATOM 553 C5 DC B 18 -3.653 0.267 2.570 1.00 0.00 C ATOM 554 C6 DC B 18 -4.853 0.461 2.010 1.00 0.00 C ATOM 0 H5' DC B 18 -9.437 0.997 2.837 1.00 0.00 H new ATOM 0 H5'' DC B 18 -9.542 -0.685 2.356 1.00 0.00 H new ATOM 0 H4' DC B 18 -9.232 0.985 0.538 1.00 0.00 H new ATOM 0 H3' DC B 18 -7.566 -1.491 0.788 1.00 0.00 H new ATOM 0 H2' DC B 18 -5.990 -0.765 -0.836 1.00 0.00 H new ATOM 0 H2'' DC B 18 -7.165 0.255 -1.644 1.00 0.00 H new ATOM 0 H1' DC B 18 -6.198 1.992 -0.566 1.00 0.00 H new ATOM 0 H41 DC B 18 -1.169 0.061 3.239 1.00 0.00 H new ATOM 0 H42 DC B 18 -0.465 0.661 1.734 1.00 0.00 H new ATOM 0 H5 DC B 18 -3.557 -0.122 3.573 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.745 0.223 2.571 1.00 0.00 H new ATOM 566 P DC B 19 -8.968 -2.662 -1.120 1.00 0.00 P ATOM 567 OP1 DC B 19 -10.127 -2.838 -2.032 1.00 0.00 O ATOM 568 OP2 DC B 19 -8.846 -3.522 0.085 1.00 0.00 O ATOM 569 O5' DC B 19 -7.631 -2.814 -1.976 1.00 0.00 O ATOM 570 C5' DC B 19 -7.578 -2.396 -3.343 1.00 0.00 C ATOM 571 C4' DC B 19 -6.656 -3.297 -4.132 1.00 0.00 C ATOM 572 O4' DC B 19 -5.287 -2.927 -3.842 1.00 0.00 O ATOM 573 C3' DC B 19 -6.769 -4.789 -3.816 1.00 0.00 C ATOM 574 O3' DC B 19 -6.596 -5.564 -5.009 1.00 0.00 O ATOM 575 C2' DC B 19 -5.630 -5.037 -2.844 1.00 0.00 C ATOM 576 C1' DC B 19 -4.589 -4.005 -3.237 1.00 0.00 C ATOM 577 N1 DC B 19 -3.810 -3.457 -2.113 1.00 0.00 N ATOM 578 C2 DC B 19 -2.426 -3.323 -2.254 1.00 0.00 C ATOM 579 O2 DC B 19 -1.892 -3.679 -3.314 1.00 0.00 O ATOM 580 N3 DC B 19 -1.704 -2.809 -1.232 1.00 0.00 N ATOM 581 C4 DC B 19 -2.314 -2.446 -0.103 1.00 0.00 C ATOM 582 N4 DC B 19 -1.562 -1.955 0.882 1.00 0.00 N ATOM 583 C5 DC B 19 -3.723 -2.573 0.069 1.00 0.00 C ATOM 584 C6 DC B 19 -4.425 -3.078 -0.953 1.00 0.00 C ATOM 0 H5' DC B 19 -7.228 -1.365 -3.402 1.00 0.00 H new ATOM 0 H5'' DC B 19 -8.578 -2.419 -3.776 1.00 0.00 H new ATOM 0 H4' DC B 19 -6.949 -3.158 -5.173 1.00 0.00 H new ATOM 0 H3' DC B 19 -7.740 -5.068 -3.406 1.00 0.00 H new ATOM 0 H2' DC B 19 -5.951 -4.908 -1.810 1.00 0.00 H new ATOM 0 H2'' DC B 19 -5.241 -6.051 -2.933 1.00 0.00 H new ATOM 0 H1' DC B 19 -3.874 -4.502 -3.893 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.995 -1.667 1.759 1.00 0.00 H new ATOM 0 H42 DC B 19 -0.553 -1.867 0.758 1.00 0.00 H new ATOM 0 H5 DC B 19 -4.205 -2.274 0.988 1.00 0.00 H new ATOM 0 H6 DC B 19 -5.495 -3.188 -0.859 1.00 0.00 H new ATOM 596 P DA B 20 -7.152 -7.073 -5.069 1.00 0.00 P ATOM 597 OP1 DA B 20 -8.344 -7.069 -5.954 1.00 0.00 O ATOM 598 OP2 DA B 20 -7.271 -7.590 -3.681 1.00 0.00 O ATOM 599 O5' DA B 20 -5.992 -7.885 -5.801 1.00 0.00 O ATOM 600 C5' DA B 20 -5.672 -7.638 -7.172 1.00 0.00 C ATOM 601 C4' DA B 20 -4.218 -7.954 -7.436 1.00 0.00 C ATOM 602 O4' DA B 20 -3.410 -7.405 -6.367 1.00 0.00 O ATOM 603 C3' DA B 20 -3.876 -9.442 -7.481 1.00 0.00 C ATOM 604 O3' DA B 20 -2.780 -9.667 -8.376 1.00 0.00 O ATOM 605 C2' DA B 20 -3.476 -9.742 -6.049 1.00 0.00 C ATOM 606 C1' DA B 20 -2.802 -8.449 -5.619 1.00 0.00 C ATOM 607 N9 DA B 20 -2.954 -8.125 -4.201 1.00 0.00 N ATOM 608 C8 DA B 20 -4.072 -8.278 -3.419 1.00 0.00 C ATOM 609 N7 DA B 20 -3.912 -7.870 -2.184 1.00 0.00 N ATOM 610 C5 DA B 20 -2.596 -7.429 -2.147 1.00 0.00 C ATOM 611 C6 DA B 20 -1.811 -6.881 -1.117 1.00 0.00 C ATOM 612 N6 DA B 20 -2.258 -6.666 0.121 1.00 0.00 N ATOM 613 N1 DA B 20 -0.531 -6.555 -1.408 1.00 0.00 N ATOM 614 C2 DA B 20 -0.085 -6.765 -2.654 1.00 0.00 C ATOM 615 N3 DA B 20 -0.727 -7.271 -3.704 1.00 0.00 N ATOM 616 C4 DA B 20 -1.992 -7.586 -3.381 1.00 0.00 C ATOM 0 H5' DA B 20 -5.875 -6.596 -7.418 1.00 0.00 H new ATOM 0 H5'' DA B 20 -6.306 -8.247 -7.816 1.00 0.00 H new ATOM 0 H4' DA B 20 -4.018 -7.525 -8.418 1.00 0.00 H new ATOM 0 H3' DA B 20 -4.693 -10.071 -7.835 1.00 0.00 H new ATOM 0 H2' DA B 20 -4.340 -9.976 -5.427 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.798 -10.593 -5.987 1.00 0.00 H new ATOM 0 H1' DA B 20 -1.733 -8.565 -5.795 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.997 -8.696 -3.787 1.00 0.00 H new ATOM 0 H61 DA B 20 -1.638 -6.265 0.825 1.00 0.00 H new ATOM 0 H62 DA B 20 -3.220 -6.903 0.364 1.00 0.00 H new ATOM 0 H2 DA B 20 0.942 -6.483 -2.831 1.00 0.00 H new ATOM 628 P DG B 21 -2.563 -11.121 -9.027 1.00 0.00 P ATOM 629 OP1 DG B 21 -2.935 -11.043 -10.464 1.00 0.00 O ATOM 630 OP2 DG B 21 -3.230 -12.118 -8.151 1.00 0.00 O ATOM 631 O5' DG B 21 -0.991 -11.357 -8.926 1.00 0.00 O ATOM 632 C5' DG B 21 -0.083 -10.640 -9.764 1.00 0.00 C ATOM 633 C4' DG B 21 1.298 -10.629 -9.150 1.00 0.00 C ATOM 634 O4' DG B 21 1.321 -9.683 -8.054 1.00 0.00 O ATOM 635 C3' DG B 21 1.752 -11.954 -8.547 1.00 0.00 C ATOM 636 O3' DG B 21 2.458 -12.733 -9.519 1.00 0.00 O ATOM 637 C2' DG B 21 2.678 -11.512 -7.431 1.00 0.00 C ATOM 638 C1' DG B 21 2.006 -10.240 -6.939 1.00 0.00 C ATOM 639 N9 DG B 21 1.033 -10.449 -5.871 1.00 0.00 N ATOM 640 C8 DG B 21 -0.242 -10.944 -5.997 1.00 0.00 C ATOM 641 N7 DG B 21 -0.880 -11.021 -4.863 1.00 0.00 N ATOM 642 C5 DG B 21 0.029 -10.546 -3.927 1.00 0.00 C ATOM 643 C6 DG B 21 -0.095 -10.391 -2.524 1.00 0.00 C ATOM 644 O6 DG B 21 -1.063 -10.652 -1.803 1.00 0.00 O ATOM 645 N1 DG B 21 1.067 -9.874 -1.962 1.00 0.00 N ATOM 646 C2 DG B 21 2.202 -9.549 -2.659 1.00 0.00 C ATOM 647 N2 DG B 21 3.215 -9.062 -1.934 1.00 0.00 N ATOM 648 N3 DG B 21 2.333 -9.689 -3.967 1.00 0.00 N ATOM 649 C4 DG B 21 1.214 -10.189 -4.535 1.00 0.00 C ATOM 0 H5' DG B 21 -0.435 -9.618 -9.903 1.00 0.00 H new ATOM 0 H5'' DG B 21 -0.046 -11.101 -10.751 1.00 0.00 H new ATOM 0 H4' DG B 21 1.963 -10.382 -9.977 1.00 0.00 H new ATOM 0 H3' DG B 21 0.931 -12.582 -8.202 1.00 0.00 H new ATOM 0 H2' DG B 21 2.754 -12.262 -6.644 1.00 0.00 H new ATOM 0 H2'' DG B 21 3.689 -11.325 -7.792 1.00 0.00 H new ATOM 0 H1' DG B 21 2.781 -9.594 -6.526 1.00 0.00 H new ATOM 0 H8 DG B 21 -0.673 -11.240 -6.942 1.00 0.00 H new ATOM 0 H1 DG B 21 1.076 -9.725 -0.953 1.00 0.00 H new ATOM 0 H21 DG B 21 4.089 -8.800 -2.390 1.00 0.00 H new ATOM 0 H22 DG B 21 3.114 -8.953 -0.925 1.00 0.00 H new ATOM 661 P DA B 22 2.176 -14.313 -9.640 1.00 0.00 P ATOM 662 OP1 DA B 22 2.441 -14.696 -11.050 1.00 0.00 O ATOM 663 OP2 DA B 22 0.854 -14.614 -9.035 1.00 0.00 O ATOM 664 O5' DA B 22 3.301 -14.980 -8.730 1.00 0.00 O ATOM 665 C5' DA B 22 4.504 -14.278 -8.408 1.00 0.00 C ATOM 666 C4' DA B 22 4.980 -14.665 -7.028 1.00 0.00 C ATOM 667 O4' DA B 22 4.411 -13.771 -6.048 1.00 0.00 O ATOM 668 C3' DA B 22 4.557 -16.055 -6.571 1.00 0.00 C ATOM 669 O3' DA B 22 5.495 -17.032 -7.030 1.00 0.00 O ATOM 670 C2' DA B 22 4.592 -15.924 -5.060 1.00 0.00 C ATOM 671 C1' DA B 22 4.172 -14.475 -4.832 1.00 0.00 C ATOM 672 N9 DA B 22 2.762 -14.303 -4.483 1.00 0.00 N ATOM 673 C8 DA B 22 1.687 -14.171 -5.329 1.00 0.00 C ATOM 674 N7 DA B 22 0.542 -14.020 -4.708 1.00 0.00 N ATOM 675 C5 DA B 22 0.884 -14.059 -3.364 1.00 0.00 C ATOM 676 C6 DA B 22 0.119 -13.954 -2.188 1.00 0.00 C ATOM 677 N6 DA B 22 -1.204 -13.782 -2.178 1.00 0.00 N ATOM 678 N1 DA B 22 0.770 -14.030 -1.007 1.00 0.00 N ATOM 679 C2 DA B 22 2.098 -14.206 -1.017 1.00 0.00 C ATOM 680 N3 DA B 22 2.924 -14.321 -2.054 1.00 0.00 N ATOM 681 C4 DA B 22 2.247 -14.236 -3.211 1.00 0.00 C ATOM 0 H5' DA B 22 4.329 -13.203 -8.452 1.00 0.00 H new ATOM 0 H5'' DA B 22 5.275 -14.506 -9.144 1.00 0.00 H new ATOM 0 H4' DA B 22 6.067 -14.624 -7.100 1.00 0.00 H new ATOM 0 H3' DA B 22 3.587 -16.375 -6.951 1.00 0.00 H new ATOM 0 H2' DA B 22 3.908 -16.623 -4.578 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.586 -16.124 -4.660 1.00 0.00 H new ATOM 0 H1' DA B 22 4.749 -14.101 -3.986 1.00 0.00 H new ATOM 0 H8 DA B 22 1.777 -14.190 -6.405 1.00 0.00 H new ATOM 0 H61 DA B 22 -1.703 -13.713 -1.291 1.00 0.00 H new ATOM 0 H62 DA B 22 -1.717 -13.719 -3.058 1.00 0.00 H new ATOM 0 H2 DA B 22 2.565 -14.263 -0.045 1.00 0.00 H new ATOM 693 P DG B 23 4.976 -18.315 -7.851 1.00 0.00 P ATOM 694 OP1 DG B 23 5.630 -18.280 -9.183 1.00 0.00 O ATOM 695 OP2 DG B 23 3.495 -18.380 -7.764 1.00 0.00 O ATOM 696 O5' DG B 23 5.576 -19.552 -7.045 1.00 0.00 O ATOM 697 C5' DG B 23 6.680 -19.385 -6.153 1.00 0.00 C ATOM 698 C4' DG B 23 6.351 -19.972 -4.802 1.00 0.00 C ATOM 699 O4' DG B 23 5.592 -19.008 -4.046 1.00 0.00 O ATOM 700 C3' DG B 23 5.479 -21.221 -4.835 1.00 0.00 C ATOM 701 O3' DG B 23 6.296 -22.391 -4.944 1.00 0.00 O ATOM 702 C2' DG B 23 4.772 -21.174 -3.493 1.00 0.00 C ATOM 703 C1' DG B 23 4.707 -19.682 -3.163 1.00 0.00 C ATOM 704 N9 DG B 23 3.383 -19.090 -3.321 1.00 0.00 N ATOM 705 C8 DG B 23 2.777 -18.718 -4.496 1.00 0.00 C ATOM 706 N7 DG B 23 1.587 -18.212 -4.323 1.00 0.00 N ATOM 707 C5 DG B 23 1.395 -18.253 -2.949 1.00 0.00 C ATOM 708 C6 DG B 23 0.287 -17.844 -2.164 1.00 0.00 C ATOM 709 O6 DG B 23 -0.780 -17.349 -2.539 1.00 0.00 O ATOM 710 N1 DG B 23 0.509 -18.065 -0.808 1.00 0.00 N ATOM 711 C2 DG B 23 1.655 -18.616 -0.275 1.00 0.00 C ATOM 712 N2 DG B 23 1.703 -18.763 1.059 1.00 0.00 N ATOM 713 N3 DG B 23 2.691 -19.000 -0.999 1.00 0.00 N ATOM 714 C4 DG B 23 2.495 -18.793 -2.316 1.00 0.00 C ATOM 0 H5' DG B 23 6.917 -18.326 -6.050 1.00 0.00 H new ATOM 0 H5'' DG B 23 7.565 -19.871 -6.563 1.00 0.00 H new ATOM 0 H4' DG B 23 7.318 -20.233 -4.372 1.00 0.00 H new ATOM 0 H3' DG B 23 4.790 -21.255 -5.679 1.00 0.00 H new ATOM 0 H2' DG B 23 3.776 -21.614 -3.550 1.00 0.00 H new ATOM 0 H2'' DG B 23 5.322 -21.728 -2.732 1.00 0.00 H new ATOM 0 H1' DG B 23 4.976 -19.576 -2.112 1.00 0.00 H new ATOM 0 H8 DG B 23 3.239 -18.833 -5.465 1.00 0.00 H new ATOM 0 H1 DG B 23 -0.232 -17.799 -0.159 1.00 0.00 H new ATOM 0 H21 DG B 23 2.531 -19.166 1.498 1.00 0.00 H new ATOM 0 H22 DG B 23 0.912 -18.472 1.633 1.00 0.00 H new ATOM 726 P DG B 24 5.758 -23.668 -5.760 1.00 0.00 P ATOM 727 OP1 DG B 24 6.906 -24.584 -5.986 1.00 0.00 O ATOM 728 OP2 DG B 24 4.976 -23.173 -6.920 1.00 0.00 O ATOM 729 O5' DG B 24 4.751 -24.375 -4.746 1.00 0.00 O ATOM 730 C5' DG B 24 5.221 -24.947 -3.524 1.00 0.00 C ATOM 731 C4' DG B 24 4.065 -25.513 -2.732 1.00 0.00 C ATOM 732 O4' DG B 24 3.276 -24.426 -2.200 1.00 0.00 O ATOM 733 C3' DG B 24 3.082 -26.359 -3.533 1.00 0.00 C ATOM 734 O3' DG B 24 3.487 -27.731 -3.556 1.00 0.00 O ATOM 735 C2' DG B 24 1.790 -26.194 -2.753 1.00 0.00 C ATOM 736 C1' DG B 24 1.898 -24.783 -2.186 1.00 0.00 C ATOM 737 N9 DG B 24 1.167 -23.775 -2.947 1.00 0.00 N ATOM 738 C8 DG B 24 1.476 -23.289 -4.194 1.00 0.00 C ATOM 739 N7 DG B 24 0.629 -22.395 -4.623 1.00 0.00 N ATOM 740 C5 DG B 24 -0.298 -22.281 -3.595 1.00 0.00 C ATOM 741 C6 DG B 24 -1.453 -21.464 -3.484 1.00 0.00 C ATOM 742 O6 DG B 24 -1.904 -20.652 -4.299 1.00 0.00 O ATOM 743 N1 DG B 24 -2.105 -21.664 -2.272 1.00 0.00 N ATOM 744 C2 DG B 24 -1.702 -22.536 -1.296 1.00 0.00 C ATOM 745 N2 DG B 24 -2.468 -22.582 -0.204 1.00 0.00 N ATOM 746 N3 DG B 24 -0.629 -23.303 -1.384 1.00 0.00 N ATOM 747 C4 DG B 24 0.021 -23.125 -2.553 1.00 0.00 C ATOM 0 H5' DG B 24 5.738 -24.189 -2.935 1.00 0.00 H new ATOM 0 H5'' DG B 24 5.945 -25.734 -3.737 1.00 0.00 H new ATOM 0 H4' DG B 24 4.536 -26.145 -1.979 1.00 0.00 H new ATOM 0 H3' DG B 24 3.003 -26.058 -4.578 1.00 0.00 H new ATOM 0 H2' DG B 24 0.916 -26.303 -3.395 1.00 0.00 H new ATOM 0 H2'' DG B 24 1.700 -26.939 -1.962 1.00 0.00 H new ATOM 0 HO3' DG B 24 2.840 -28.254 -4.074 1.00 0.00 H new ATOM 0 H1' DG B 24 1.460 -24.801 -1.188 1.00 0.00 H new ATOM 0 H8 DG B 24 2.335 -23.615 -4.762 1.00 0.00 H new ATOM 0 H1 DG B 24 -2.949 -21.119 -2.096 1.00 0.00 H new ATOM 0 H21 DG B 24 -2.226 -23.210 0.563 1.00 0.00 H new ATOM 0 H22 DG B 24 -3.295 -21.989 -0.136 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.745 1.130 -0.467 1.00 0.00 PT HETATM 762 N1 1PT A 13 3.690 2.961 0.397 1.00 0.00 N HETATM 763 N2 1PT A 13 4.772 0.554 1.181 1.00 0.00 N HETATM 764 C1 1PT A 13 4.072 2.806 1.881 1.00 0.00 C HETATM 765 C2 1PT A 13 5.224 1.817 1.943 1.00 0.00 C HETATM 766 C3 1PT A 13 5.612 1.537 3.356 1.00 0.00 C HETATM 767 C4 1PT A 13 6.065 2.853 4.086 1.00 0.00 C HETATM 768 C5 1PT A 13 4.847 3.897 3.965 1.00 0.00 C HETATM 769 C6 1PT A 13 4.442 4.110 2.525 1.00 0.00 C HETATM 0 H62 1PT A 13 5.262 4.573 1.976 1.00 0.00 H new HETATM 0 H61 1PT A 13 3.598 4.798 2.477 1.00 0.00 H new HETATM 0 H52 1PT A 13 3.993 3.529 4.534 1.00 0.00 H new HETATM 0 H51 1PT A 13 5.138 4.850 4.407 1.00 0.00 H new HETATM 0 H42 1PT A 13 6.300 2.653 5.131 1.00 0.00 H new HETATM 0 H41 1PT A 13 6.968 3.258 3.628 1.00 0.00 H new HETATM 0 H32 1PT A 13 4.770 1.093 3.887 1.00 0.00 H new HETATM 0 H31 1PT A 13 6.422 0.808 3.377 1.00 0.00 H new HETATM 0 H2 1PT A 13 6.122 2.221 1.475 1.00 0.00 H new HETATM 0 H1 1PT A 13 3.211 2.443 2.443 1.00 0.00 H new