USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 299 hydrogens (50 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 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT O5' : rot 86:sc= 0.816 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 25 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 6.362 -9.464 -10.037 1.00 1.19 O ATOM 2 C5' DT A 4 6.877 -10.265 -11.103 1.00 1.04 C ATOM 3 C4' DT A 4 8.384 -10.369 -11.040 1.00 0.90 C ATOM 4 O4' DT A 4 8.753 -11.192 -9.905 1.00 0.87 O ATOM 5 C3' DT A 4 9.040 -11.015 -12.265 1.00 0.82 C ATOM 6 O3' DT A 4 10.263 -10.344 -12.586 1.00 0.83 O ATOM 7 C2' DT A 4 9.314 -12.439 -11.815 1.00 0.70 C ATOM 8 C1' DT A 4 9.574 -12.269 -10.329 1.00 0.67 C ATOM 9 N1 DT A 4 9.238 -13.449 -9.507 1.00 0.67 N ATOM 10 C2 DT A 4 7.921 -13.853 -9.450 1.00 0.85 C ATOM 11 O2 DT A 4 7.022 -13.283 -10.045 1.00 0.99 O ATOM 12 N3 DT A 4 7.694 -14.953 -8.664 1.00 0.94 N ATOM 13 C4 DT A 4 8.628 -15.673 -7.947 1.00 0.87 C ATOM 14 O4 DT A 4 8.273 -16.644 -7.283 1.00 1.03 O ATOM 15 C5 DT A 4 9.988 -15.196 -8.052 1.00 0.71 C ATOM 16 C7 DT A 4 11.067 -15.917 -7.305 1.00 0.77 C ATOM 17 C6 DT A 4 10.227 -14.121 -8.817 1.00 0.62 C ATOM 0 H5' DT A 4 6.581 -9.834 -12.059 1.00 1.04 H new ATOM 0 H5'' DT A 4 6.440 -11.262 -11.054 1.00 1.04 H new ATOM 0 H4' DT A 4 8.735 -9.339 -10.975 1.00 0.90 H new ATOM 0 H3' DT A 4 8.418 -10.966 -13.159 1.00 0.82 H new ATOM 0 H2' DT A 4 8.465 -13.096 -12.006 1.00 0.70 H new ATOM 0 H2'' DT A 4 10.172 -12.870 -12.331 1.00 0.70 H new ATOM 0 HO5' DT A 4 6.374 -8.520 -10.301 1.00 1.19 H new ATOM 0 H1' DT A 4 10.643 -12.103 -10.194 1.00 0.67 H new ATOM 0 H3 DT A 4 6.728 -15.275 -8.602 1.00 0.94 H new ATOM 0 H71 DT A 4 12.008 -15.827 -7.848 1.00 0.77 H new ATOM 0 H72 DT A 4 11.177 -15.480 -6.313 1.00 0.77 H new ATOM 0 H73 DT A 4 10.803 -16.970 -7.210 1.00 0.77 H new ATOM 0 H6 DT A 4 11.243 -13.763 -8.897 1.00 0.62 H new ATOM 31 P DG A 5 10.269 -9.180 -13.697 1.00 0.91 P ATOM 32 OP1 DG A 5 8.988 -8.438 -13.571 1.00 1.00 O ATOM 33 OP2 DG A 5 10.641 -9.783 -15.001 1.00 1.23 O ATOM 34 O5' DG A 5 11.450 -8.213 -13.237 1.00 0.90 O ATOM 35 C5' DG A 5 11.293 -6.794 -13.269 1.00 0.82 C ATOM 36 C4' DG A 5 12.546 -6.120 -12.760 1.00 0.88 C ATOM 37 O4' DG A 5 12.980 -6.783 -11.545 1.00 0.89 O ATOM 38 C3' DG A 5 13.741 -6.172 -13.716 1.00 1.08 C ATOM 39 O3' DG A 5 14.508 -4.966 -13.621 1.00 1.17 O ATOM 40 C2' DG A 5 14.544 -7.356 -13.208 1.00 1.15 C ATOM 41 C1' DG A 5 14.289 -7.308 -11.712 1.00 1.05 C ATOM 42 N9 DG A 5 14.341 -8.609 -11.049 1.00 1.09 N ATOM 43 C8 DG A 5 13.278 -9.362 -10.617 1.00 0.87 C ATOM 44 N7 DG A 5 13.634 -10.486 -10.059 1.00 1.01 N ATOM 45 C5 DG A 5 15.021 -10.476 -10.125 1.00 1.38 C ATOM 46 C6 DG A 5 15.969 -11.432 -9.679 1.00 1.72 C ATOM 47 O6 DG A 5 15.761 -12.515 -9.117 1.00 1.74 O ATOM 48 N1 DG A 5 17.277 -11.031 -9.942 1.00 2.10 N ATOM 49 C2 DG A 5 17.618 -9.850 -10.560 1.00 2.15 C ATOM 50 N2 DG A 5 18.930 -9.632 -10.730 1.00 2.58 N ATOM 51 N3 DG A 5 16.744 -8.950 -10.981 1.00 1.83 N ATOM 52 C4 DG A 5 15.473 -9.325 -10.733 1.00 1.45 C ATOM 0 H5' DG A 5 10.439 -6.501 -12.658 1.00 0.82 H new ATOM 0 H5'' DG A 5 11.083 -6.467 -14.287 1.00 0.82 H new ATOM 0 H4' DG A 5 12.267 -5.075 -12.622 1.00 0.88 H new ATOM 0 H3' DG A 5 13.451 -6.270 -14.762 1.00 1.08 H new ATOM 0 H2' DG A 5 14.206 -8.294 -13.647 1.00 1.15 H new ATOM 0 H2'' DG A 5 15.604 -7.258 -13.442 1.00 1.15 H new ATOM 0 H1' DG A 5 15.075 -6.704 -11.259 1.00 1.05 H new ATOM 0 H8 DG A 5 12.249 -9.054 -10.728 1.00 0.87 H new ATOM 0 H1 DG A 5 18.032 -11.655 -9.657 1.00 2.10 H new ATOM 0 H21 DG A 5 19.250 -8.775 -11.182 1.00 2.58 H new ATOM 0 H22 DG A 5 19.608 -10.323 -10.408 1.00 2.58 H new ATOM 64 P DA A 6 14.265 -3.776 -14.676 1.00 1.15 P ATOM 65 OP1 DA A 6 14.295 -4.374 -16.035 1.00 1.39 O ATOM 66 OP2 DA A 6 15.193 -2.664 -14.344 1.00 1.23 O ATOM 67 O5' DA A 6 12.775 -3.293 -14.380 1.00 1.04 O ATOM 68 C5' DA A 6 12.519 -2.124 -13.601 1.00 0.89 C ATOM 69 C4' DA A 6 11.113 -1.630 -13.853 1.00 0.76 C ATOM 70 O4' DA A 6 10.175 -2.685 -13.534 1.00 0.72 O ATOM 71 C3' DA A 6 10.687 -0.435 -13.004 1.00 0.66 C ATOM 72 O3' DA A 6 9.743 0.372 -13.717 1.00 0.68 O ATOM 73 C2' DA A 6 10.036 -1.081 -11.796 1.00 0.59 C ATOM 74 C1' DA A 6 9.417 -2.345 -12.379 1.00 0.59 C ATOM 75 N9 DA A 6 9.436 -3.501 -11.480 1.00 0.55 N ATOM 76 C8 DA A 6 10.429 -3.872 -10.606 1.00 0.58 C ATOM 77 N7 DA A 6 10.168 -4.974 -9.946 1.00 0.61 N ATOM 78 C5 DA A 6 8.919 -5.355 -10.415 1.00 0.58 C ATOM 79 C6 DA A 6 8.087 -6.446 -10.108 1.00 0.65 C ATOM 80 N6 DA A 6 8.400 -7.393 -9.222 1.00 0.74 N ATOM 81 N1 DA A 6 6.904 -6.534 -10.754 1.00 0.70 N ATOM 82 C2 DA A 6 6.587 -5.586 -11.645 1.00 0.69 C ATOM 83 N3 DA A 6 7.285 -4.516 -12.019 1.00 0.63 N ATOM 84 C4 DA A 6 8.455 -4.458 -11.359 1.00 0.56 C ATOM 0 H5' DA A 6 13.238 -1.344 -13.854 1.00 0.89 H new ATOM 0 H5'' DA A 6 12.650 -2.347 -12.542 1.00 0.89 H new ATOM 0 H4' DA A 6 11.110 -1.327 -14.900 1.00 0.76 H new ATOM 0 H3' DA A 6 11.514 0.224 -12.741 1.00 0.66 H new ATOM 0 H2' DA A 6 10.765 -1.310 -11.018 1.00 0.59 H new ATOM 0 H2'' DA A 6 9.284 -0.432 -11.347 1.00 0.59 H new ATOM 0 H1' DA A 6 8.369 -2.126 -12.582 1.00 0.59 H new ATOM 0 H8 DA A 6 11.340 -3.308 -10.475 1.00 0.58 H new ATOM 0 H61 DA A 6 7.751 -8.160 -9.044 1.00 0.74 H new ATOM 0 H62 DA A 6 9.288 -7.350 -8.722 1.00 0.74 H new ATOM 0 H2 DA A 6 5.629 -5.707 -12.129 1.00 0.69 H new ATOM 96 P DG A 7 9.644 1.946 -13.409 1.00 0.58 P ATOM 97 OP1 DG A 7 8.379 2.438 -14.012 1.00 0.64 O ATOM 98 OP2 DG A 7 10.933 2.578 -13.791 1.00 0.81 O ATOM 99 O5' DG A 7 9.501 2.020 -11.823 1.00 0.52 O ATOM 100 C5' DG A 7 8.835 3.114 -11.192 1.00 0.53 C ATOM 101 C4' DG A 7 7.346 2.862 -11.146 1.00 0.38 C ATOM 102 O4' DG A 7 7.111 1.448 -10.918 1.00 0.37 O ATOM 103 C3' DG A 7 6.603 3.596 -10.025 1.00 0.37 C ATOM 104 O3' DG A 7 5.309 4.013 -10.477 1.00 0.37 O ATOM 105 C2' DG A 7 6.480 2.543 -8.940 1.00 0.40 C ATOM 106 C1' DG A 7 6.335 1.266 -9.744 1.00 0.31 C ATOM 107 N9 DG A 7 6.818 0.067 -9.064 1.00 0.33 N ATOM 108 C8 DG A 7 8.116 -0.231 -8.732 1.00 0.41 C ATOM 109 N7 DG A 7 8.243 -1.378 -8.124 1.00 0.45 N ATOM 110 C5 DG A 7 6.946 -1.869 -8.049 1.00 0.37 C ATOM 111 C6 DG A 7 6.452 -3.077 -7.494 1.00 0.38 C ATOM 112 O6 DG A 7 7.088 -3.979 -6.937 1.00 0.45 O ATOM 113 N1 DG A 7 5.069 -3.186 -7.627 1.00 0.35 N ATOM 114 C2 DG A 7 4.270 -2.238 -8.225 1.00 0.35 C ATOM 115 N2 DG A 7 2.954 -2.506 -8.258 1.00 0.42 N ATOM 116 N3 DG A 7 4.719 -1.108 -8.746 1.00 0.32 N ATOM 117 C4 DG A 7 6.055 -0.990 -8.624 1.00 0.32 C ATOM 0 H5' DG A 7 9.038 4.036 -11.737 1.00 0.53 H new ATOM 0 H5'' DG A 7 9.220 3.249 -10.181 1.00 0.53 H new ATOM 0 H4' DG A 7 6.969 3.227 -12.101 1.00 0.38 H new ATOM 0 H3' DG A 7 7.113 4.497 -9.686 1.00 0.37 H new ATOM 0 H2' DG A 7 7.358 2.520 -8.295 1.00 0.40 H new ATOM 0 H2'' DG A 7 5.617 2.720 -8.298 1.00 0.40 H new ATOM 0 H1' DG A 7 5.273 1.103 -9.928 1.00 0.31 H new ATOM 0 H8 DG A 7 8.949 0.420 -8.952 1.00 0.41 H new ATOM 0 H1 DG A 7 4.619 -4.023 -7.257 1.00 0.35 H new ATOM 0 H21 DG A 7 2.309 -1.843 -8.688 1.00 0.42 H new ATOM 0 H22 DG A 7 2.600 -3.373 -7.853 1.00 0.42 H new ATOM 129 P DG A 8 4.353 4.864 -9.503 1.00 0.46 P ATOM 130 OP1 DG A 8 3.710 5.921 -10.325 1.00 0.63 O ATOM 131 OP2 DG A 8 5.132 5.245 -8.298 1.00 0.58 O ATOM 132 O5' DG A 8 3.227 3.824 -9.063 1.00 0.41 O ATOM 133 C5' DG A 8 2.186 3.441 -9.963 1.00 0.39 C ATOM 134 C4' DG A 8 1.077 2.740 -9.212 1.00 0.36 C ATOM 135 O4' DG A 8 1.598 1.518 -8.630 1.00 0.38 O ATOM 136 C3' DG A 8 0.477 3.543 -8.051 1.00 0.37 C ATOM 137 O3' DG A 8 -0.947 3.396 -8.031 1.00 0.42 O ATOM 138 C2' DG A 8 1.098 2.913 -6.816 1.00 0.41 C ATOM 139 C1' DG A 8 1.292 1.472 -7.247 1.00 0.39 C ATOM 140 N9 DG A 8 2.383 0.778 -6.566 1.00 0.40 N ATOM 141 C8 DG A 8 3.714 1.111 -6.586 1.00 0.43 C ATOM 142 N7 DG A 8 4.459 0.301 -5.888 1.00 0.46 N ATOM 143 C5 DG A 8 3.566 -0.626 -5.372 1.00 0.43 C ATOM 144 C6 DG A 8 3.794 -1.748 -4.536 1.00 0.46 C ATOM 145 O6 DG A 8 4.867 -2.151 -4.072 1.00 0.52 O ATOM 146 N1 DG A 8 2.612 -2.428 -4.244 1.00 0.45 N ATOM 147 C2 DG A 8 1.369 -2.059 -4.708 1.00 0.43 C ATOM 148 N2 DG A 8 0.339 -2.828 -4.320 1.00 0.46 N ATOM 149 N3 DG A 8 1.146 -1.014 -5.489 1.00 0.40 N ATOM 150 C4 DG A 8 2.280 -0.348 -5.780 1.00 0.40 C ATOM 0 H5' DG A 8 2.586 2.782 -10.734 1.00 0.39 H new ATOM 0 H5'' DG A 8 1.791 4.322 -10.470 1.00 0.39 H new ATOM 0 H4' DG A 8 0.293 2.578 -9.951 1.00 0.36 H new ATOM 0 H3' DG A 8 0.677 4.612 -8.123 1.00 0.37 H new ATOM 0 H2' DG A 8 2.042 3.388 -6.549 1.00 0.41 H new ATOM 0 H2'' DG A 8 0.445 2.993 -5.947 1.00 0.41 H new ATOM 0 H1' DG A 8 0.385 0.920 -7.002 1.00 0.39 H new ATOM 0 H8 DG A 8 4.105 1.960 -7.127 1.00 0.43 H new ATOM 0 H1 DG A 8 2.672 -3.253 -3.647 1.00 0.45 H new ATOM 0 H21 DG A 8 -0.607 -2.607 -4.630 1.00 0.46 H new ATOM 0 H22 DG A 8 0.503 -3.633 -3.715 1.00 0.46 H new ATOM 162 P DG A 9 -1.830 4.259 -7.000 1.00 0.46 P ATOM 163 OP1 DG A 9 -2.975 4.823 -7.759 1.00 0.66 O ATOM 164 OP2 DG A 9 -0.924 5.170 -6.255 1.00 0.58 O ATOM 165 O5' DG A 9 -2.398 3.174 -5.980 1.00 0.53 O ATOM 166 C5' DG A 9 -3.034 1.987 -6.453 1.00 0.47 C ATOM 167 C4' DG A 9 -3.539 1.165 -5.291 1.00 0.42 C ATOM 168 O4' DG A 9 -2.433 0.416 -4.723 1.00 0.47 O ATOM 169 C3' DG A 9 -4.138 1.979 -4.136 1.00 0.37 C ATOM 170 O3' DG A 9 -5.321 1.341 -3.641 1.00 0.43 O ATOM 171 C2' DG A 9 -3.045 1.967 -3.082 1.00 0.35 C ATOM 172 C1' DG A 9 -2.379 0.627 -3.324 1.00 0.38 C ATOM 173 N9 DG A 9 -0.979 0.559 -2.907 1.00 0.35 N ATOM 174 C8 DG A 9 0.059 1.342 -3.350 1.00 0.37 C ATOM 175 N7 DG A 9 1.202 1.048 -2.793 1.00 0.39 N ATOM 176 C5 DG A 9 0.900 0.006 -1.927 1.00 0.37 C ATOM 177 C6 DG A 9 1.737 -0.727 -1.049 1.00 0.40 C ATOM 178 O6 DG A 9 2.951 -0.592 -0.859 1.00 0.47 O ATOM 179 N1 DG A 9 1.030 -1.702 -0.347 1.00 0.40 N ATOM 180 C2 DG A 9 -0.320 -1.932 -0.484 1.00 0.38 C ATOM 181 N2 DG A 9 -0.834 -2.913 0.274 1.00 0.44 N ATOM 182 N3 DG A 9 -1.111 -1.254 -1.299 1.00 0.37 N ATOM 183 C4 DG A 9 -0.440 -0.307 -1.985 1.00 0.35 C ATOM 0 H5' DG A 9 -2.331 1.400 -7.044 1.00 0.47 H new ATOM 0 H5'' DG A 9 -3.863 2.248 -7.111 1.00 0.47 H new ATOM 0 H4' DG A 9 -4.328 0.541 -5.710 1.00 0.42 H new ATOM 0 H3' DG A 9 -4.429 2.987 -4.430 1.00 0.37 H new ATOM 0 H2' DG A 9 -2.349 2.796 -3.208 1.00 0.35 H new ATOM 0 H2'' DG A 9 -3.451 2.043 -2.073 1.00 0.35 H new ATOM 0 H1' DG A 9 -2.902 -0.124 -2.732 1.00 0.38 H new ATOM 0 H8 DG A 9 -0.059 2.123 -4.086 1.00 0.37 H new ATOM 0 H1 DG A 9 1.548 -2.284 0.312 1.00 0.40 H new ATOM 0 H21 DG A 9 -1.829 -3.132 0.218 1.00 0.44 H new ATOM 0 H22 DG A 9 -0.230 -3.439 0.906 1.00 0.44 H new ATOM 195 P DT A 10 -6.768 1.842 -4.131 1.00 0.37 P ATOM 196 OP1 DT A 10 -6.601 2.433 -5.484 1.00 0.48 O ATOM 197 OP2 DT A 10 -7.371 2.656 -3.046 1.00 0.54 O ATOM 198 O5' DT A 10 -7.612 0.498 -4.278 1.00 0.38 O ATOM 199 C5' DT A 10 -7.297 -0.464 -5.285 1.00 0.40 C ATOM 200 C4' DT A 10 -6.374 -1.522 -4.725 1.00 0.40 C ATOM 201 O4' DT A 10 -6.963 -2.077 -3.522 1.00 0.50 O ATOM 202 C3' DT A 10 -6.123 -2.712 -5.653 1.00 0.52 C ATOM 203 O3' DT A 10 -4.791 -3.210 -5.479 1.00 0.58 O ATOM 204 C2' DT A 10 -7.142 -3.734 -5.187 1.00 0.63 C ATOM 205 C1' DT A 10 -7.220 -3.464 -3.694 1.00 0.57 C ATOM 206 N1 DT A 10 -8.532 -3.762 -3.088 1.00 0.66 N ATOM 207 C2 DT A 10 -8.712 -4.994 -2.498 1.00 0.81 C ATOM 208 O2 DT A 10 -7.840 -5.846 -2.453 1.00 0.95 O ATOM 209 N3 DT A 10 -9.958 -5.194 -1.960 1.00 0.91 N ATOM 210 C4 DT A 10 -11.015 -4.307 -1.953 1.00 0.95 C ATOM 211 O4 DT A 10 -12.079 -4.628 -1.429 1.00 1.09 O ATOM 212 C5 DT A 10 -10.757 -3.034 -2.589 1.00 0.89 C ATOM 213 C7 DT A 10 -11.849 -2.010 -2.627 1.00 1.10 C ATOM 214 C6 DT A 10 -9.544 -2.824 -3.120 1.00 0.73 C ATOM 0 H5' DT A 10 -6.824 0.029 -6.134 1.00 0.40 H new ATOM 0 H5'' DT A 10 -8.212 -0.927 -5.654 1.00 0.40 H new ATOM 0 H4' DT A 10 -5.426 -1.010 -4.561 1.00 0.40 H new ATOM 0 H3' DT A 10 -6.219 -2.463 -6.710 1.00 0.52 H new ATOM 0 H2' DT A 10 -8.107 -3.597 -5.675 1.00 0.63 H new ATOM 0 H2'' DT A 10 -6.820 -4.754 -5.399 1.00 0.63 H new ATOM 0 H1' DT A 10 -6.501 -4.117 -3.200 1.00 0.57 H new ATOM 0 H3 DT A 10 -10.121 -6.098 -1.516 1.00 0.91 H new ATOM 0 H71 DT A 10 -11.412 -1.012 -2.623 1.00 1.10 H new ATOM 0 H72 DT A 10 -12.441 -2.143 -3.533 1.00 1.10 H new ATOM 0 H73 DT A 10 -12.490 -2.129 -1.754 1.00 1.10 H new ATOM 0 H6 DT A 10 -9.349 -1.874 -3.596 1.00 0.73 H new ATOM 227 P DG A 11 -3.580 -2.580 -6.331 1.00 0.53 P ATOM 228 OP1 DG A 11 -2.476 -2.287 -5.383 1.00 0.68 O ATOM 229 OP2 DG A 11 -4.121 -1.493 -7.186 1.00 0.60 O ATOM 230 O5' DG A 11 -3.107 -3.773 -7.278 1.00 0.50 O ATOM 231 C5' DG A 11 -4.052 -4.570 -7.991 1.00 0.48 C ATOM 232 C4' DG A 11 -3.853 -6.032 -7.662 1.00 0.41 C ATOM 233 O4' DG A 11 -2.482 -6.403 -7.959 1.00 0.40 O ATOM 234 C3' DG A 11 -4.070 -6.397 -6.193 1.00 0.42 C ATOM 235 O3' DG A 11 -4.602 -7.723 -6.085 1.00 0.44 O ATOM 236 C2' DG A 11 -2.669 -6.332 -5.614 1.00 0.40 C ATOM 237 C1' DG A 11 -1.821 -6.824 -6.773 1.00 0.39 C ATOM 238 N9 DG A 11 -0.460 -6.290 -6.801 1.00 0.40 N ATOM 239 C8 DG A 11 -0.040 -5.118 -7.381 1.00 0.44 C ATOM 240 N7 DG A 11 1.242 -4.910 -7.254 1.00 0.46 N ATOM 241 C5 DG A 11 1.697 -6.013 -6.545 1.00 0.42 C ATOM 242 C6 DG A 11 3.004 -6.346 -6.109 1.00 0.44 C ATOM 243 O6 DG A 11 4.050 -5.708 -6.273 1.00 0.48 O ATOM 244 N1 DG A 11 3.032 -7.557 -5.420 1.00 0.43 N ATOM 245 C2 DG A 11 1.927 -8.343 -5.187 1.00 0.42 C ATOM 246 N2 DG A 11 2.141 -9.479 -4.504 1.00 0.47 N ATOM 247 N3 DG A 11 0.702 -8.043 -5.589 1.00 0.41 N ATOM 248 C4 DG A 11 0.661 -6.874 -6.257 1.00 0.39 C ATOM 0 H5' DG A 11 -3.937 -4.412 -9.063 1.00 0.48 H new ATOM 0 H5'' DG A 11 -5.066 -4.266 -7.731 1.00 0.48 H new ATOM 0 H4' DG A 11 -4.598 -6.557 -8.260 1.00 0.41 H new ATOM 0 H3' DG A 11 -4.775 -5.742 -5.681 1.00 0.42 H new ATOM 0 H2' DG A 11 -2.399 -5.320 -5.313 1.00 0.40 H new ATOM 0 H2'' DG A 11 -2.562 -6.966 -4.733 1.00 0.40 H new ATOM 0 H1' DG A 11 -1.719 -7.905 -6.674 1.00 0.39 H new ATOM 0 H8 DG A 11 -0.704 -4.437 -7.891 1.00 0.44 H new ATOM 0 H1 DG A 11 3.931 -7.882 -5.065 1.00 0.43 H new ATOM 0 H21 DG A 11 1.362 -10.105 -4.299 1.00 0.47 H new ATOM 0 H22 DG A 11 3.082 -9.716 -4.190 1.00 0.47 H new ATOM 260 P DG A 12 -5.468 -8.138 -4.796 1.00 0.51 P ATOM 261 OP1 DG A 12 -6.029 -9.489 -5.055 1.00 0.79 O ATOM 262 OP2 DG A 12 -6.382 -7.016 -4.465 1.00 0.51 O ATOM 263 O5' DG A 12 -4.387 -8.266 -3.632 1.00 0.57 O ATOM 264 C5' DG A 12 -4.683 -7.837 -2.303 1.00 0.52 C ATOM 265 C4' DG A 12 -3.839 -8.602 -1.310 1.00 0.43 C ATOM 266 O4' DG A 12 -2.448 -8.526 -1.714 1.00 0.39 O ATOM 267 C3' DG A 12 -3.892 -8.068 0.123 1.00 0.46 C ATOM 268 O3' DG A 12 -3.835 -9.149 1.060 1.00 0.47 O ATOM 269 C2' DG A 12 -2.647 -7.205 0.224 1.00 0.46 C ATOM 270 C1' DG A 12 -1.671 -7.923 -0.691 1.00 0.39 C ATOM 271 N9 DG A 12 -0.689 -7.047 -1.329 1.00 0.39 N ATOM 272 C8 DG A 12 -0.933 -6.077 -2.271 1.00 0.41 C ATOM 273 N7 DG A 12 0.141 -5.443 -2.650 1.00 0.42 N ATOM 274 C5 DG A 12 1.161 -6.030 -1.913 1.00 0.41 C ATOM 275 C6 DG A 12 2.552 -5.758 -1.897 1.00 0.44 C ATOM 276 O6 DG A 12 3.172 -4.911 -2.550 1.00 0.47 O ATOM 277 N1 DG A 12 3.234 -6.583 -1.006 1.00 0.45 N ATOM 278 C2 DG A 12 2.637 -7.550 -0.229 1.00 0.43 C ATOM 279 N2 DG A 12 3.455 -8.254 0.570 1.00 0.46 N ATOM 280 N3 DG A 12 1.340 -7.813 -0.234 1.00 0.41 N ATOM 281 C4 DG A 12 0.667 -7.021 -1.094 1.00 0.40 C ATOM 0 H5' DG A 12 -5.740 -7.993 -2.089 1.00 0.52 H new ATOM 0 H5'' DG A 12 -4.492 -6.768 -2.207 1.00 0.52 H new ATOM 0 H4' DG A 12 -4.247 -9.613 -1.311 1.00 0.43 H new ATOM 0 H3' DG A 12 -4.808 -7.520 0.344 1.00 0.46 H new ATOM 0 H2' DG A 12 -2.834 -6.183 -0.105 1.00 0.46 H new ATOM 0 H2'' DG A 12 -2.276 -7.147 1.247 1.00 0.46 H new ATOM 0 H1' DG A 12 -1.104 -8.630 -0.085 1.00 0.39 H new ATOM 0 H8 DG A 12 -1.917 -5.861 -2.659 1.00 0.41 H new ATOM 0 H1 DG A 12 4.244 -6.463 -0.924 1.00 0.45 H new ATOM 0 H21 DG A 12 3.076 -8.985 1.171 1.00 0.46 H new ATOM 0 H22 DG A 12 4.456 -8.057 0.576 1.00 0.46 H new ATOM 293 P DG A 13 -4.284 -8.912 2.586 1.00 0.44 P ATOM 294 OP1 DG A 13 -5.299 -9.944 2.916 1.00 0.77 O ATOM 295 OP2 DG A 13 -4.617 -7.474 2.759 1.00 0.71 O ATOM 296 O5' DG A 13 -2.967 -9.226 3.425 1.00 0.49 O ATOM 297 C5' DG A 13 -2.753 -8.639 4.709 1.00 0.38 C ATOM 298 C4' DG A 13 -1.323 -8.853 5.143 1.00 0.30 C ATOM 299 O4' DG A 13 -0.436 -8.278 4.150 1.00 0.34 O ATOM 300 C3' DG A 13 -0.948 -8.199 6.480 1.00 0.33 C ATOM 301 O3' DG A 13 -0.150 -9.096 7.261 1.00 0.42 O ATOM 302 C2' DG A 13 -0.139 -6.979 6.073 1.00 0.32 C ATOM 303 C1' DG A 13 0.508 -7.432 4.780 1.00 0.31 C ATOM 304 N9 DG A 13 0.838 -6.350 3.854 1.00 0.33 N ATOM 305 C8 DG A 13 -0.033 -5.626 3.078 1.00 0.36 C ATOM 306 N7 DG A 13 0.557 -4.717 2.352 1.00 0.39 N ATOM 307 C5 DG A 13 1.902 -4.849 2.667 1.00 0.38 C ATOM 308 C6 DG A 13 3.028 -4.133 2.190 1.00 0.43 C ATOM 309 O6 DG A 13 3.055 -3.209 1.369 1.00 0.48 O ATOM 310 N1 DG A 13 4.215 -4.583 2.767 1.00 0.46 N ATOM 311 C2 DG A 13 4.292 -5.602 3.689 1.00 0.45 C ATOM 312 N2 DG A 13 5.521 -5.908 4.134 1.00 0.51 N ATOM 313 N3 DG A 13 3.247 -6.277 4.141 1.00 0.39 N ATOM 314 C4 DG A 13 2.093 -5.851 3.591 1.00 0.36 C ATOM 0 H5' DG A 13 -3.433 -9.081 5.438 1.00 0.38 H new ATOM 0 H5'' DG A 13 -2.975 -7.572 4.672 1.00 0.38 H new ATOM 0 H4' DG A 13 -1.221 -9.932 5.256 1.00 0.30 H new ATOM 0 H3' DG A 13 -1.815 -7.943 7.089 1.00 0.33 H new ATOM 0 H2' DG A 13 -0.771 -6.103 5.926 1.00 0.32 H new ATOM 0 H2'' DG A 13 0.602 -6.714 6.827 1.00 0.32 H new ATOM 0 H1' DG A 13 1.455 -7.913 5.025 1.00 0.31 H new ATOM 0 H8 DG A 13 -1.100 -5.792 3.070 1.00 0.36 H new ATOM 0 H1 DG A 13 5.083 -4.127 2.487 1.00 0.46 H new ATOM 0 H21 DG A 13 5.644 -6.654 4.818 1.00 0.51 H new ATOM 0 H22 DG A 13 6.331 -5.394 3.788 1.00 0.51 H new ATOM 326 P DT A 14 0.041 -8.839 8.838 1.00 0.76 P ATOM 327 OP1 DT A 14 -1.015 -7.888 9.268 1.00 0.94 O ATOM 328 OP2 DT A 14 1.469 -8.511 9.084 1.00 1.09 O ATOM 329 O5' DT A 14 -0.268 -10.256 9.501 1.00 0.96 O ATOM 330 C5' DT A 14 -1.004 -11.256 8.796 1.00 0.95 C ATOM 331 C4' DT A 14 -0.056 -12.219 8.118 1.00 1.20 C ATOM 332 O4' DT A 14 0.424 -13.178 9.089 1.00 1.61 O ATOM 333 C3' DT A 14 -0.676 -13.055 7.003 1.00 1.40 C ATOM 334 O3' DT A 14 -0.548 -12.384 5.744 1.00 1.22 O ATOM 335 C2' DT A 14 0.164 -14.318 7.026 1.00 1.84 C ATOM 336 C1' DT A 14 0.508 -14.473 8.502 1.00 1.98 C ATOM 337 N1 DT A 14 -0.399 -15.371 9.246 1.00 2.33 N ATOM 338 C2 DT A 14 -0.127 -16.721 9.239 1.00 2.93 C ATOM 339 O2 DT A 14 0.825 -17.206 8.649 1.00 3.16 O ATOM 340 N3 DT A 14 -1.013 -17.487 9.951 1.00 3.27 N ATOM 341 C4 DT A 14 -2.118 -17.048 10.652 1.00 3.09 C ATOM 342 O4 DT A 14 -2.826 -17.857 11.247 1.00 3.47 O ATOM 343 C5 DT A 14 -2.345 -15.621 10.617 1.00 2.46 C ATOM 344 C7 DT A 14 -3.522 -15.057 11.351 1.00 2.29 C ATOM 345 C6 DT A 14 -1.486 -14.858 9.925 1.00 2.12 C ATOM 0 H5' DT A 14 -1.650 -10.787 8.054 1.00 0.95 H new ATOM 0 H5'' DT A 14 -1.651 -11.797 9.487 1.00 0.95 H new ATOM 0 H4' DT A 14 0.719 -11.585 7.689 1.00 1.20 H new ATOM 0 H3' DT A 14 -1.741 -13.242 7.138 1.00 1.40 H new ATOM 0 H2' DT A 14 -0.389 -15.178 6.648 1.00 1.84 H new ATOM 0 H2'' DT A 14 1.059 -14.219 6.411 1.00 1.84 H new ATOM 0 H1' DT A 14 1.501 -14.918 8.561 1.00 1.98 H new ATOM 0 H3 DT A 14 -0.836 -18.492 9.964 1.00 3.27 H new ATOM 0 H71 DT A 14 -3.292 -14.045 11.685 1.00 2.29 H new ATOM 0 H72 DT A 14 -4.387 -15.033 10.688 1.00 2.29 H new ATOM 0 H73 DT A 14 -3.745 -15.682 12.216 1.00 2.29 H new ATOM 0 H6 DT A 14 -1.653 -13.791 9.898 1.00 2.12 H new ATOM 358 P DA A 15 -1.450 -12.844 4.495 1.00 1.34 P ATOM 359 OP1 DA A 15 -2.528 -11.836 4.329 1.00 1.36 O ATOM 360 OP2 DA A 15 -1.807 -14.275 4.676 1.00 1.75 O ATOM 361 O5' DA A 15 -0.467 -12.729 3.245 1.00 1.17 O ATOM 362 C5' DA A 15 0.004 -11.459 2.793 1.00 0.80 C ATOM 363 C4' DA A 15 1.319 -11.616 2.059 1.00 0.62 C ATOM 364 O4' DA A 15 2.261 -10.636 2.555 1.00 0.53 O ATOM 365 C3' DA A 15 2.010 -12.962 2.249 1.00 0.54 C ATOM 366 O3' DA A 15 2.845 -13.258 1.124 1.00 0.58 O ATOM 367 C2' DA A 15 2.849 -12.737 3.493 1.00 0.45 C ATOM 368 C1' DA A 15 3.234 -11.265 3.384 1.00 0.39 C ATOM 369 N9 DA A 15 3.257 -10.551 4.663 1.00 0.37 N ATOM 370 C8 DA A 15 2.238 -10.432 5.577 1.00 0.44 C ATOM 371 N7 DA A 15 2.554 -9.720 6.631 1.00 0.52 N ATOM 372 C5 DA A 15 3.870 -9.344 6.397 1.00 0.48 C ATOM 373 C6 DA A 15 4.779 -8.576 7.144 1.00 0.57 C ATOM 374 N6 DA A 15 4.485 -8.022 8.323 1.00 0.70 N ATOM 375 N1 DA A 15 6.014 -8.390 6.629 1.00 0.58 N ATOM 376 C2 DA A 15 6.305 -8.942 5.445 1.00 0.53 C ATOM 377 N3 DA A 15 5.536 -9.683 4.650 1.00 0.46 N ATOM 378 C4 DA A 15 4.316 -9.850 5.190 1.00 0.41 C ATOM 0 H5' DA A 15 0.132 -10.788 3.642 1.00 0.80 H new ATOM 0 H5'' DA A 15 -0.735 -11.003 2.135 1.00 0.80 H new ATOM 0 H4' DA A 15 1.059 -11.504 1.007 1.00 0.62 H new ATOM 0 H3' DA A 15 1.317 -13.798 2.341 1.00 0.54 H new ATOM 0 H2' DA A 15 2.285 -12.940 4.403 1.00 0.45 H new ATOM 0 H2'' DA A 15 3.726 -13.384 3.511 1.00 0.45 H new ATOM 0 H1' DA A 15 4.247 -11.225 2.984 1.00 0.39 H new ATOM 0 H8 DA A 15 1.267 -10.883 5.440 1.00 0.44 H new ATOM 0 H61 DA A 15 5.188 -7.474 8.819 1.00 0.70 H new ATOM 0 H62 DA A 15 3.557 -8.147 8.728 1.00 0.70 H new ATOM 0 H2 DA A 15 7.306 -8.760 5.083 1.00 0.53 H new ATOM 390 P DG A 16 2.233 -14.029 -0.146 1.00 0.78 P ATOM 391 OP1 DG A 16 1.479 -13.034 -0.950 1.00 1.17 O ATOM 392 OP2 DG A 16 1.546 -15.255 0.336 1.00 1.09 O ATOM 393 O5' DG A 16 3.516 -14.470 -0.982 1.00 0.50 O ATOM 394 C5' DG A 16 4.415 -15.461 -0.483 1.00 0.54 C ATOM 395 C4' DG A 16 5.784 -14.861 -0.261 1.00 0.52 C ATOM 396 O4' DG A 16 6.107 -13.996 -1.380 1.00 0.53 O ATOM 397 C3' DG A 16 5.912 -13.994 0.998 1.00 0.51 C ATOM 398 O3' DG A 16 7.161 -14.250 1.651 1.00 0.59 O ATOM 399 C2' DG A 16 5.871 -12.573 0.463 1.00 0.50 C ATOM 400 C1' DG A 16 6.504 -12.722 -0.905 1.00 0.50 C ATOM 401 N9 DG A 16 6.080 -11.720 -1.880 1.00 0.45 N ATOM 402 C8 DG A 16 4.857 -11.627 -2.498 1.00 0.49 C ATOM 403 N7 DG A 16 4.771 -10.620 -3.323 1.00 0.47 N ATOM 404 C5 DG A 16 6.015 -10.009 -3.245 1.00 0.42 C ATOM 405 C6 DG A 16 6.517 -8.864 -3.914 1.00 0.41 C ATOM 406 O6 DG A 16 5.938 -8.139 -4.731 1.00 0.43 O ATOM 407 N1 DG A 16 7.833 -8.583 -3.549 1.00 0.44 N ATOM 408 C2 DG A 16 8.563 -9.321 -2.646 1.00 0.47 C ATOM 409 N2 DG A 16 9.815 -8.900 -2.409 1.00 0.56 N ATOM 410 N3 DG A 16 8.104 -10.390 -2.016 1.00 0.46 N ATOM 411 C4 DG A 16 6.834 -10.674 -2.360 1.00 0.43 C ATOM 0 H5' DG A 16 4.483 -16.289 -1.189 1.00 0.54 H new ATOM 0 H5'' DG A 16 4.033 -15.870 0.452 1.00 0.54 H new ATOM 0 H4' DG A 16 6.454 -15.714 -0.152 1.00 0.52 H new ATOM 0 H3' DG A 16 5.131 -14.190 1.733 1.00 0.51 H new ATOM 0 H2' DG A 16 4.852 -12.192 0.400 1.00 0.50 H new ATOM 0 H2'' DG A 16 6.430 -11.884 1.096 1.00 0.50 H new ATOM 0 H1' DG A 16 7.581 -12.596 -0.796 1.00 0.50 H new ATOM 0 H8 DG A 16 4.047 -12.319 -2.319 1.00 0.49 H new ATOM 0 H1 DG A 16 8.285 -7.776 -3.980 1.00 0.44 H new ATOM 0 H21 DG A 16 10.407 -9.405 -1.749 1.00 0.56 H new ATOM 0 H22 DG A 16 10.175 -8.075 -2.889 1.00 0.56 H new ATOM 423 P DG A 17 7.454 -13.617 3.101 1.00 0.66 P ATOM 424 OP1 DG A 17 8.229 -14.620 3.875 1.00 0.85 O ATOM 425 OP2 DG A 17 6.178 -13.093 3.651 1.00 0.78 O ATOM 426 O5' DG A 17 8.412 -12.380 2.795 1.00 0.71 O ATOM 427 C5' DG A 17 9.698 -12.575 2.207 1.00 0.84 C ATOM 428 C4' DG A 17 10.517 -11.309 2.304 1.00 0.69 C ATOM 429 O4' DG A 17 10.007 -10.341 1.352 1.00 0.67 O ATOM 430 C3' DG A 17 10.480 -10.620 3.675 1.00 0.60 C ATOM 431 O3' DG A 17 11.793 -10.181 4.043 1.00 0.67 O ATOM 432 C2' DG A 17 9.559 -9.431 3.460 1.00 0.48 C ATOM 433 C1' DG A 17 9.788 -9.101 1.998 1.00 0.48 C ATOM 434 N9 DG A 17 8.664 -8.438 1.342 1.00 0.44 N ATOM 435 C8 DG A 17 7.351 -8.842 1.334 1.00 0.45 C ATOM 436 N7 DG A 17 6.569 -8.043 0.661 1.00 0.46 N ATOM 437 C5 DG A 17 7.419 -7.048 0.195 1.00 0.44 C ATOM 438 C6 DG A 17 7.145 -5.904 -0.597 1.00 0.48 C ATOM 439 O6 DG A 17 6.059 -5.534 -1.058 1.00 0.54 O ATOM 440 N1 DG A 17 8.293 -5.154 -0.845 1.00 0.51 N ATOM 441 C2 DG A 17 9.548 -5.478 -0.380 1.00 0.50 C ATOM 442 N2 DG A 17 10.540 -4.639 -0.716 1.00 0.57 N ATOM 443 N3 DG A 17 9.815 -6.542 0.358 1.00 0.47 N ATOM 444 C4 DG A 17 8.713 -7.277 0.606 1.00 0.44 C ATOM 0 H5' DG A 17 9.587 -12.865 1.162 1.00 0.84 H new ATOM 0 H5'' DG A 17 10.216 -13.391 2.711 1.00 0.84 H new ATOM 0 H4' DG A 17 11.544 -11.620 2.111 1.00 0.69 H new ATOM 0 H3' DG A 17 10.137 -11.277 4.474 1.00 0.60 H new ATOM 0 H2' DG A 17 8.518 -9.682 3.661 1.00 0.48 H new ATOM 0 H2'' DG A 17 9.817 -8.595 4.110 1.00 0.48 H new ATOM 0 H1' DG A 17 10.623 -8.403 1.934 1.00 0.48 H new ATOM 0 H8 DG A 17 7.001 -9.732 1.835 1.00 0.45 H new ATOM 0 H1 DG A 17 8.197 -4.309 -1.408 1.00 0.51 H new ATOM 0 H21 DG A 17 11.493 -4.824 -0.402 1.00 0.57 H new ATOM 0 H22 DG A 17 10.341 -3.816 -1.285 1.00 0.57 H new ATOM 456 P DG A 18 12.048 -9.533 5.494 1.00 0.67 P ATOM 457 OP1 DG A 18 13.270 -10.165 6.053 1.00 0.87 O ATOM 458 OP2 DG A 18 10.777 -9.587 6.261 1.00 0.67 O ATOM 459 O5' DG A 18 12.378 -8.006 5.180 1.00 0.62 O ATOM 460 C5' DG A 18 13.449 -7.652 4.304 1.00 0.58 C ATOM 461 C4' DG A 18 13.636 -6.153 4.283 1.00 0.46 C ATOM 462 O4' DG A 18 12.589 -5.557 3.475 1.00 0.44 O ATOM 463 C3' DG A 18 13.554 -5.473 5.657 1.00 0.48 C ATOM 464 O3' DG A 18 14.589 -4.491 5.789 1.00 0.51 O ATOM 465 C2' DG A 18 12.188 -4.808 5.653 1.00 0.41 C ATOM 466 C1' DG A 18 11.985 -4.491 4.185 1.00 0.34 C ATOM 467 N9 DG A 18 10.586 -4.402 3.767 1.00 0.32 N ATOM 468 C8 DG A 18 9.556 -5.234 4.133 1.00 0.34 C ATOM 469 N7 DG A 18 8.411 -4.902 3.603 1.00 0.37 N ATOM 470 C5 DG A 18 8.703 -3.781 2.837 1.00 0.36 C ATOM 471 C6 DG A 18 7.858 -2.979 2.029 1.00 0.42 C ATOM 472 O6 DG A 18 6.646 -3.107 1.829 1.00 0.48 O ATOM 473 N1 DG A 18 8.555 -1.937 1.421 1.00 0.42 N ATOM 474 C2 DG A 18 9.902 -1.705 1.580 1.00 0.38 C ATOM 475 N2 DG A 18 10.404 -0.654 0.915 1.00 0.41 N ATOM 476 N3 DG A 18 10.700 -2.446 2.332 1.00 0.34 N ATOM 477 C4 DG A 18 10.039 -3.460 2.927 1.00 0.33 C ATOM 0 H5' DG A 18 13.239 -8.013 3.297 1.00 0.58 H new ATOM 0 H5'' DG A 18 14.370 -8.136 4.630 1.00 0.58 H new ATOM 0 H4' DG A 18 14.641 -5.998 3.890 1.00 0.46 H new ATOM 0 H3' DG A 18 13.681 -6.171 6.484 1.00 0.48 H new ATOM 0 H2' DG A 18 11.412 -5.471 6.037 1.00 0.41 H new ATOM 0 H2'' DG A 18 12.172 -3.909 6.269 1.00 0.41 H new ATOM 0 H1' DG A 18 12.416 -3.510 3.987 1.00 0.34 H new ATOM 0 H8 DG A 18 9.682 -6.079 4.794 1.00 0.34 H new ATOM 0 H1 DG A 18 8.031 -1.303 0.817 1.00 0.42 H new ATOM 0 H21 DG A 18 11.396 -0.429 0.991 1.00 0.41 H new ATOM 0 H22 DG A 18 9.794 -0.080 0.333 1.00 0.41 H new ATOM 489 P DT A 19 15.999 -4.892 6.451 1.00 0.50 P ATOM 490 OP1 DT A 19 15.820 -6.201 7.129 1.00 0.59 O ATOM 491 OP2 DT A 19 16.497 -3.727 7.227 1.00 0.98 O ATOM 492 O5' DT A 19 16.965 -5.110 5.202 1.00 0.74 O ATOM 493 C5' DT A 19 17.227 -4.051 4.282 1.00 0.93 C ATOM 494 C4' DT A 19 18.462 -4.360 3.468 1.00 0.95 C ATOM 495 O4' DT A 19 19.588 -4.538 4.365 1.00 1.09 O ATOM 496 C3' DT A 19 18.382 -5.644 2.640 1.00 0.88 C ATOM 497 O3' DT A 19 19.099 -5.488 1.410 1.00 0.98 O ATOM 498 C2' DT A 19 19.058 -6.673 3.525 1.00 1.04 C ATOM 499 C1' DT A 19 20.120 -5.849 4.232 1.00 1.19 C ATOM 500 N1 DT A 19 20.474 -6.337 5.580 1.00 1.44 N ATOM 501 C2 DT A 19 21.487 -7.263 5.691 1.00 1.86 C ATOM 502 O2 DT A 19 22.103 -7.697 4.730 1.00 2.04 O ATOM 503 N3 DT A 19 21.756 -7.667 6.974 1.00 2.14 N ATOM 504 C4 DT A 19 21.127 -7.247 8.128 1.00 2.05 C ATOM 505 O4 DT A 19 21.478 -7.700 9.215 1.00 2.37 O ATOM 506 C5 DT A 19 20.073 -6.275 7.939 1.00 1.67 C ATOM 507 C7 DT A 19 19.335 -5.764 9.138 1.00 1.72 C ATOM 508 C6 DT A 19 19.799 -5.870 6.690 1.00 1.40 C ATOM 0 H5' DT A 19 17.364 -3.115 4.823 1.00 0.93 H new ATOM 0 H5'' DT A 19 16.371 -3.914 3.621 1.00 0.93 H new ATOM 0 H4' DT A 19 18.566 -3.518 2.784 1.00 0.95 H new ATOM 0 H3' DT A 19 17.363 -5.919 2.368 1.00 0.88 H new ATOM 0 H2' DT A 19 18.359 -7.125 4.229 1.00 1.04 H new ATOM 0 H2'' DT A 19 19.494 -7.485 2.943 1.00 1.04 H new ATOM 0 H1' DT A 19 21.033 -5.903 3.640 1.00 1.19 H new ATOM 0 H3 DT A 19 22.503 -8.353 7.087 1.00 2.14 H new ATOM 0 H71 DT A 19 18.999 -4.744 8.951 1.00 1.72 H new ATOM 0 H72 DT A 19 18.472 -6.400 9.332 1.00 1.72 H new ATOM 0 H73 DT A 19 19.996 -5.775 10.004 1.00 1.72 H new ATOM 0 H6 DT A 19 19.013 -5.144 6.546 1.00 1.40 H new ATOM 521 P DG A 20 18.558 -6.201 0.074 1.00 0.71 P ATOM 522 OP1 DG A 20 18.430 -7.652 0.363 1.00 0.97 O ATOM 523 OP2 DG A 20 19.396 -5.751 -1.067 1.00 1.03 O ATOM 524 O5' DG A 20 17.093 -5.603 -0.116 1.00 1.22 O ATOM 525 C5' DG A 20 16.216 -6.108 -1.124 1.00 1.07 C ATOM 526 C4' DG A 20 16.353 -5.295 -2.391 1.00 0.81 C ATOM 527 O4' DG A 20 15.396 -5.778 -3.368 1.00 0.71 O ATOM 528 C3' DG A 20 16.067 -3.800 -2.229 1.00 0.66 C ATOM 529 O3' DG A 20 16.924 -3.033 -3.084 1.00 0.61 O ATOM 530 C2' DG A 20 14.621 -3.670 -2.667 1.00 0.64 C ATOM 531 C1' DG A 20 14.505 -4.738 -3.740 1.00 0.63 C ATOM 532 N9 DG A 20 13.168 -5.314 -3.873 1.00 0.62 N ATOM 533 C8 DG A 20 12.719 -6.498 -3.342 1.00 0.66 C ATOM 534 N7 DG A 20 11.474 -6.756 -3.635 1.00 0.63 N ATOM 535 C5 DG A 20 11.075 -5.674 -4.408 1.00 0.58 C ATOM 536 C6 DG A 20 9.826 -5.394 -5.016 1.00 0.55 C ATOM 537 O6 DG A 20 8.793 -6.072 -4.988 1.00 0.57 O ATOM 538 N1 DG A 20 9.844 -4.188 -5.713 1.00 0.53 N ATOM 539 C2 DG A 20 10.939 -3.360 -5.805 1.00 0.54 C ATOM 540 N2 DG A 20 10.769 -2.230 -6.509 1.00 0.56 N ATOM 541 N3 DG A 20 12.110 -3.610 -5.241 1.00 0.56 N ATOM 542 C4 DG A 20 12.107 -4.775 -4.564 1.00 0.57 C ATOM 0 H5' DG A 20 15.186 -6.073 -0.770 1.00 1.07 H new ATOM 0 H5'' DG A 20 16.448 -7.153 -1.327 1.00 1.07 H new ATOM 0 H4' DG A 20 17.394 -5.413 -2.691 1.00 0.81 H new ATOM 0 H3' DG A 20 16.239 -3.436 -1.216 1.00 0.66 H new ATOM 0 H2' DG A 20 13.930 -3.846 -1.843 1.00 0.64 H new ATOM 0 H2'' DG A 20 14.403 -2.676 -3.058 1.00 0.64 H new ATOM 0 H1' DG A 20 14.735 -4.275 -4.700 1.00 0.63 H new ATOM 0 H8 DG A 20 13.335 -7.151 -2.742 1.00 0.66 H new ATOM 0 H1 DG A 20 8.988 -3.899 -6.187 1.00 0.53 H new ATOM 0 H21 DG A 20 11.543 -1.574 -6.615 1.00 0.56 H new ATOM 0 H22 DG A 20 9.866 -2.028 -6.938 1.00 0.56 H new ATOM 554 P DG A 21 17.180 -1.475 -2.773 1.00 0.65 P ATOM 555 OP1 DG A 21 18.339 -1.044 -3.595 1.00 0.79 O ATOM 556 OP2 DG A 21 17.218 -1.292 -1.300 1.00 0.80 O ATOM 557 O5' DG A 21 15.876 -0.749 -3.334 1.00 0.68 O ATOM 558 C5' DG A 21 15.690 -0.549 -4.736 1.00 0.75 C ATOM 559 C4' DG A 21 14.682 0.551 -4.981 1.00 0.58 C ATOM 560 O4' DG A 21 13.349 -0.023 -5.008 1.00 0.64 O ATOM 561 C3' DG A 21 14.647 1.648 -3.908 1.00 0.53 C ATOM 562 O3' DG A 21 14.456 2.930 -4.517 1.00 0.59 O ATOM 563 C2' DG A 21 13.445 1.274 -3.060 1.00 0.53 C ATOM 564 C1' DG A 21 12.514 0.656 -4.085 1.00 0.53 C ATOM 565 N9 DG A 21 11.561 -0.309 -3.539 1.00 0.53 N ATOM 566 C8 DG A 21 11.811 -1.290 -2.611 1.00 0.58 C ATOM 567 N7 DG A 21 10.759 -2.003 -2.317 1.00 0.62 N ATOM 568 C5 DG A 21 9.749 -1.460 -3.100 1.00 0.56 C ATOM 569 C6 DG A 21 8.382 -1.818 -3.210 1.00 0.58 C ATOM 570 O6 DG A 21 7.778 -2.720 -2.618 1.00 0.65 O ATOM 571 N1 DG A 21 7.703 -1.009 -4.120 1.00 0.55 N ATOM 572 C2 DG A 21 8.285 0.017 -4.830 1.00 0.54 C ATOM 573 N2 DG A 21 7.478 0.694 -5.660 1.00 0.57 N ATOM 574 N3 DG A 21 9.559 0.360 -4.735 1.00 0.52 N ATOM 575 C4 DG A 21 10.227 -0.415 -3.859 1.00 0.52 C ATOM 0 H5' DG A 21 15.348 -1.474 -5.200 1.00 0.75 H new ATOM 0 H5'' DG A 21 16.641 -0.291 -5.202 1.00 0.75 H new ATOM 0 H4' DG A 21 14.989 1.007 -5.922 1.00 0.58 H new ATOM 0 H3' DG A 21 15.569 1.715 -3.330 1.00 0.53 H new ATOM 0 H2' DG A 21 13.707 0.570 -2.270 1.00 0.53 H new ATOM 0 H2'' DG A 21 13.000 2.144 -2.577 1.00 0.53 H new ATOM 0 H1' DG A 21 11.913 1.454 -4.520 1.00 0.53 H new ATOM 0 H8 DG A 21 12.782 -1.455 -2.169 1.00 0.58 H new ATOM 0 H1 DG A 21 6.710 -1.189 -4.270 1.00 0.55 H new ATOM 0 H21 DG A 21 7.848 1.466 -6.215 1.00 0.57 H new ATOM 0 H22 DG A 21 6.494 0.437 -5.737 1.00 0.57 H new ATOM 587 P DG A 22 14.681 4.271 -3.656 1.00 0.67 P ATOM 588 OP1 DG A 22 15.788 5.026 -4.296 1.00 0.86 O ATOM 589 OP2 DG A 22 14.781 3.897 -2.222 1.00 0.75 O ATOM 590 O5' DG A 22 13.333 5.095 -3.869 1.00 0.94 O ATOM 591 C5' DG A 22 12.352 5.188 -2.835 1.00 0.75 C ATOM 592 C4' DG A 22 10.971 5.307 -3.437 1.00 0.70 C ATOM 593 O4' DG A 22 10.448 3.986 -3.697 1.00 0.58 O ATOM 594 C3' DG A 22 9.932 5.969 -2.543 1.00 0.72 C ATOM 595 O3' DG A 22 9.938 7.388 -2.739 1.00 0.92 O ATOM 596 C2' DG A 22 8.627 5.364 -3.031 1.00 0.63 C ATOM 597 C1' DG A 22 9.036 3.975 -3.517 1.00 0.57 C ATOM 598 N9 DG A 22 8.710 2.893 -2.589 1.00 0.49 N ATOM 599 C8 DG A 22 9.577 2.213 -1.768 1.00 0.48 C ATOM 600 N7 DG A 22 8.995 1.291 -1.053 1.00 0.45 N ATOM 601 C5 DG A 22 7.659 1.364 -1.424 1.00 0.42 C ATOM 602 C6 DG A 22 6.544 0.608 -0.984 1.00 0.42 C ATOM 603 O6 DG A 22 6.520 -0.306 -0.152 1.00 0.44 O ATOM 604 N1 DG A 22 5.365 1.003 -1.614 1.00 0.46 N ATOM 605 C2 DG A 22 5.284 2.006 -2.553 1.00 0.52 C ATOM 606 N2 DG A 22 4.064 2.249 -3.057 1.00 0.62 N ATOM 607 N3 DG A 22 6.318 2.718 -2.972 1.00 0.53 N ATOM 608 C4 DG A 22 7.466 2.346 -2.370 1.00 0.46 C ATOM 0 H5' DG A 22 12.558 6.053 -2.205 1.00 0.75 H new ATOM 0 H5'' DG A 22 12.403 4.308 -2.195 1.00 0.75 H new ATOM 0 H4' DG A 22 11.115 5.922 -4.325 1.00 0.70 H new ATOM 0 H3' DG A 22 10.107 5.809 -1.479 1.00 0.72 H new ATOM 0 H2' DG A 22 7.887 5.308 -2.232 1.00 0.63 H new ATOM 0 H2'' DG A 22 8.186 5.956 -3.833 1.00 0.63 H new ATOM 0 H1' DG A 22 8.480 3.778 -4.434 1.00 0.57 H new ATOM 0 H8 DG A 22 10.636 2.422 -1.720 1.00 0.48 H new ATOM 0 H1 DG A 22 4.505 0.516 -1.362 1.00 0.46 H new ATOM 0 H21 DG A 22 3.938 2.980 -3.757 1.00 0.62 H new ATOM 0 H22 DG A 22 3.263 1.703 -2.740 1.00 0.62 H new ATOM 620 P DT A 23 9.332 8.356 -1.607 1.00 1.12 P ATOM 621 OP1 DT A 23 9.440 9.749 -2.110 1.00 1.76 O ATOM 622 OP2 DT A 23 9.950 7.996 -0.305 1.00 1.68 O ATOM 623 O5' DT A 23 7.788 7.967 -1.553 1.00 0.75 O ATOM 624 C5' DT A 23 6.899 8.618 -0.646 1.00 0.75 C ATOM 625 C4' DT A 23 5.526 7.989 -0.723 1.00 0.70 C ATOM 626 O4' DT A 23 5.643 6.565 -0.480 1.00 0.72 O ATOM 627 C3' DT A 23 4.524 8.506 0.310 1.00 0.70 C ATOM 628 O3' DT A 23 3.200 8.507 -0.237 1.00 0.84 O ATOM 629 C2' DT A 23 4.636 7.497 1.436 1.00 0.68 C ATOM 630 C1' DT A 23 4.928 6.204 0.694 1.00 0.73 C ATOM 631 N1 DT A 23 5.749 5.239 1.451 1.00 0.74 N ATOM 632 C2 DT A 23 5.109 4.371 2.307 1.00 0.84 C ATOM 633 O2 DT A 23 3.899 4.364 2.467 1.00 0.90 O ATOM 634 N3 DT A 23 5.940 3.507 2.973 1.00 0.93 N ATOM 635 C4 DT A 23 7.314 3.427 2.871 1.00 0.93 C ATOM 636 O4 DT A 23 7.928 2.596 3.534 1.00 1.07 O ATOM 637 C5 DT A 23 7.921 4.367 1.955 1.00 0.83 C ATOM 638 C7 DT A 23 9.408 4.351 1.780 1.00 0.92 C ATOM 639 C6 DT A 23 7.121 5.218 1.296 1.00 0.74 C ATOM 0 H5' DT A 23 6.835 9.679 -0.886 1.00 0.75 H new ATOM 0 H5'' DT A 23 7.285 8.543 0.371 1.00 0.75 H new ATOM 0 H4' DT A 23 5.156 8.243 -1.716 1.00 0.70 H new ATOM 0 H3' DT A 23 4.723 9.529 0.631 1.00 0.70 H new ATOM 0 H2' DT A 23 5.434 7.754 2.133 1.00 0.68 H new ATOM 0 H2'' DT A 23 3.715 7.433 2.016 1.00 0.68 H new ATOM 0 H1' DT A 23 3.976 5.709 0.502 1.00 0.73 H new ATOM 0 H3 DT A 23 5.493 2.851 3.614 1.00 0.93 H new ATOM 0 H71 DT A 23 9.659 4.673 0.769 1.00 0.92 H new ATOM 0 H72 DT A 23 9.866 5.028 2.501 1.00 0.92 H new ATOM 0 H73 DT A 23 9.783 3.340 1.942 1.00 0.92 H new ATOM 0 H6 DT A 23 7.572 5.921 0.611 1.00 0.74 H new ATOM 652 P DA A 24 2.156 9.649 0.199 1.00 0.80 P ATOM 653 OP1 DA A 24 0.814 9.228 -0.279 1.00 1.04 O ATOM 654 OP2 DA A 24 2.704 10.965 -0.218 1.00 0.95 O ATOM 655 O5' DA A 24 2.157 9.585 1.791 1.00 0.81 O ATOM 656 C5' DA A 24 2.116 10.778 2.575 1.00 0.83 C ATOM 657 C4' DA A 24 2.190 10.439 4.045 1.00 0.88 C ATOM 658 O4' DA A 24 2.434 11.651 4.801 1.00 0.95 O ATOM 659 C3' DA A 24 0.912 9.844 4.632 1.00 0.97 C ATOM 660 O3' DA A 24 0.955 8.414 4.575 1.00 1.01 O ATOM 661 C2' DA A 24 0.943 10.324 6.069 1.00 1.15 C ATOM 662 C1' DA A 24 1.594 11.694 5.948 1.00 1.07 C ATOM 663 N9 DA A 24 0.647 12.798 5.772 1.00 1.07 N ATOM 664 C8 DA A 24 0.118 13.273 4.597 1.00 1.05 C ATOM 665 N7 DA A 24 -0.709 14.278 4.759 1.00 1.13 N ATOM 666 C5 DA A 24 -0.726 14.479 6.132 1.00 1.22 C ATOM 667 C6 DA A 24 -1.410 15.399 6.945 1.00 1.41 C ATOM 668 N6 DA A 24 -2.244 16.329 6.472 1.00 1.50 N ATOM 669 N1 DA A 24 -1.206 15.332 8.279 1.00 1.58 N ATOM 670 C2 DA A 24 -0.370 14.400 8.753 1.00 1.57 C ATOM 671 N3 DA A 24 0.330 13.481 8.091 1.00 1.40 N ATOM 672 C4 DA A 24 0.105 13.575 6.769 1.00 1.21 C ATOM 0 H5' DA A 24 1.198 11.327 2.367 1.00 0.83 H new ATOM 0 H5'' DA A 24 2.946 11.430 2.302 1.00 0.83 H new ATOM 0 H4' DA A 24 2.984 9.696 4.119 1.00 0.88 H new ATOM 0 H3' DA A 24 0.009 10.141 4.099 1.00 0.97 H new ATOM 0 H2' DA A 24 -0.058 10.387 6.497 1.00 1.15 H new ATOM 0 H2'' DA A 24 1.521 9.656 6.707 1.00 1.15 H new ATOM 0 H1' DA A 24 2.126 11.889 6.879 1.00 1.07 H new ATOM 0 H8 DA A 24 0.360 12.858 3.630 1.00 1.05 H new ATOM 0 H61 DA A 24 -2.711 16.969 7.114 1.00 1.50 H new ATOM 0 H62 DA A 24 -2.413 16.399 5.469 1.00 1.50 H new ATOM 0 H2 DA A 24 -0.246 14.392 9.826 1.00 1.57 H new ATOM 684 P DA A 25 -0.415 7.572 4.540 1.00 1.12 P ATOM 685 OP1 DA A 25 -0.750 7.329 3.114 1.00 1.64 O ATOM 686 OP2 DA A 25 -1.402 8.249 5.420 1.00 1.62 O ATOM 687 O5' DA A 25 -0.028 6.176 5.203 1.00 1.03 O ATOM 688 C5' DA A 25 0.519 6.114 6.521 1.00 0.93 C ATOM 689 C4' DA A 25 0.035 4.869 7.228 1.00 0.67 C ATOM 690 O4' DA A 25 -1.411 4.845 7.218 1.00 0.81 O ATOM 691 C3' DA A 25 0.457 3.556 6.582 1.00 0.72 C ATOM 692 O3' DA A 25 1.721 3.120 7.089 1.00 1.03 O ATOM 693 C2' DA A 25 -0.650 2.608 7.001 1.00 0.70 C ATOM 694 C1' DA A 25 -1.878 3.511 7.044 1.00 0.72 C ATOM 695 N9 DA A 25 -2.696 3.475 5.829 1.00 0.81 N ATOM 696 C8 DA A 25 -2.443 4.087 4.626 1.00 1.11 C ATOM 697 N7 DA A 25 -3.365 3.869 3.719 1.00 1.29 N ATOM 698 C5 DA A 25 -4.287 3.060 4.368 1.00 1.06 C ATOM 699 C6 DA A 25 -5.497 2.480 3.948 1.00 1.16 C ATOM 700 N6 DA A 25 -6.008 2.634 2.724 1.00 1.45 N ATOM 701 N1 DA A 25 -6.175 1.727 4.842 1.00 1.13 N ATOM 702 C2 DA A 25 -5.664 1.573 6.069 1.00 1.09 C ATOM 703 N3 DA A 25 -4.538 2.065 6.581 1.00 0.93 N ATOM 704 C4 DA A 25 -3.888 2.809 5.668 1.00 0.84 C ATOM 0 H5' DA A 25 0.227 6.999 7.086 1.00 0.93 H new ATOM 0 H5'' DA A 25 1.608 6.113 6.471 1.00 0.93 H new ATOM 0 H4' DA A 25 0.480 4.930 8.221 1.00 0.67 H new ATOM 0 H3' DA A 25 0.583 3.626 5.502 1.00 0.72 H new ATOM 0 H2' DA A 25 -0.774 1.792 6.289 1.00 0.70 H new ATOM 0 H2'' DA A 25 -0.448 2.155 7.972 1.00 0.70 H new ATOM 0 HO3' DA A 25 1.971 2.274 6.661 1.00 1.03 H new ATOM 0 H1' DA A 25 -2.513 3.157 7.856 1.00 0.72 H new ATOM 0 H8 DA A 25 -1.567 4.691 4.444 1.00 1.11 H new ATOM 0 H61 DA A 25 -6.892 2.186 2.480 1.00 1.45 H new ATOM 0 H62 DA A 25 -5.515 3.199 2.033 1.00 1.45 H new ATOM 0 H2 DA A 25 -6.249 0.962 6.740 1.00 1.09 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.846 -7.674 -6.536 1.00 0.62 C HETATM 719 C18 BO6 A 101 14.756 -6.695 -6.923 1.00 0.66 C HETATM 720 N19 BO6 A 101 14.329 -5.604 -7.679 1.00 0.69 N HETATM 721 C31 BO6 A 101 15.298 -4.561 -8.091 1.00 0.78 C HETATM 722 C20 BO6 A 101 12.989 -5.497 -8.046 1.00 0.69 C HETATM 723 C21 BO6 A 101 12.079 -6.476 -7.658 1.00 0.63 C HETATM 724 C16 BO6 A 101 12.496 -7.576 -6.899 1.00 0.58 C HETATM 725 C15 BO6 A 101 11.620 -8.576 -6.487 1.00 0.58 C HETATM 726 C14 BO6 A 101 11.973 -10.066 -6.503 1.00 0.57 C HETATM 727 C7 BO6 A 101 11.143 -11.057 -5.986 1.00 0.52 C HETATM 728 C6 BO6 A 101 9.818 -11.108 -6.397 1.00 0.46 C HETATM 729 C8 BO6 A 101 11.588 -11.994 -5.082 1.00 0.58 C HETATM 730 C9 BO6 A 101 10.712 -12.955 -4.610 1.00 0.60 C HETATM 731 C2 BO6 A 101 9.440 -12.972 -5.031 1.00 0.56 C HETATM 732 N1 BO6 A 101 8.427 -13.779 -4.731 1.00 0.62 N HETATM 733 C3 BO6 A 101 8.995 -12.057 -5.917 1.00 0.48 C HETATM 734 C4 BO6 A 101 7.708 -12.310 -6.153 1.00 0.50 C HETATM 735 C10 BO6 A 101 6.811 -11.700 -6.948 1.00 0.49 C HETATM 736 C5 BO6 A 101 7.357 -13.382 -5.414 1.00 0.59 C HETATM 737 C13 BO6 A 101 6.108 -13.863 -5.457 1.00 0.68 C HETATM 738 C12 BO6 A 101 5.159 -13.261 -6.263 1.00 0.67 C HETATM 739 C11 BO6 A 101 5.506 -12.170 -7.018 1.00 0.58 C HETATM 740 C22 BO6 A 101 4.590 -11.531 -7.844 1.00 0.61 C HETATM 741 C23 BO6 A 101 4.336 -10.019 -7.815 1.00 0.56 C HETATM 742 C24 BO6 A 101 3.287 -9.404 -8.494 1.00 0.57 C HETATM 743 C25 BO6 A 101 1.983 -9.876 -8.286 1.00 0.62 C HETATM 744 C26 BO6 A 101 0.905 -9.291 -8.944 1.00 0.68 C HETATM 745 N27 BO6 A 101 1.115 -8.225 -9.819 1.00 0.68 N HETATM 746 C30 BO6 A 101 -0.033 -7.603 -10.519 1.00 0.76 C HETATM 747 C28 BO6 A 101 2.407 -7.747 -10.033 1.00 0.65 C HETATM 748 C29 BO6 A 101 3.485 -8.332 -9.375 1.00 0.60 C HETATM 774 C17 BO6 A 102 -0.427 2.552 0.249 1.00 0.50 C HETATM 775 C18 BO6 A 102 -0.568 3.552 -0.709 1.00 0.52 C HETATM 776 N19 BO6 A 102 0.551 4.251 -1.159 1.00 0.51 N HETATM 777 C31 BO6 A 102 0.401 5.315 -2.178 1.00 0.61 C HETATM 778 C20 BO6 A 102 1.811 3.946 -0.646 1.00 0.48 C HETATM 779 C21 BO6 A 102 1.952 2.946 0.312 1.00 0.47 C HETATM 780 C16 BO6 A 102 0.835 2.238 0.771 1.00 0.47 C HETATM 781 C15 BO6 A 102 0.928 1.232 1.728 1.00 0.54 C HETATM 782 C14 BO6 A 102 0.151 1.250 3.047 1.00 0.58 C HETATM 783 C7 BO6 A 102 0.085 0.165 3.912 1.00 0.57 C HETATM 784 C6 BO6 A 102 1.254 -0.309 4.489 1.00 0.56 C HETATM 785 C8 BO6 A 102 -1.101 -0.457 4.222 1.00 0.59 C HETATM 786 C9 BO6 A 102 -1.099 -1.530 5.095 1.00 0.58 C HETATM 787 C2 BO6 A 102 0.050 -1.959 5.632 1.00 0.56 C HETATM 788 N1 BO6 A 102 0.308 -2.950 6.481 1.00 0.56 N HETATM 789 C3 BO6 A 102 1.218 -1.354 5.333 1.00 0.55 C HETATM 790 C4 BO6 A 102 2.185 -1.980 6.001 1.00 0.56 C HETATM 791 C10 BO6 A 102 3.512 -1.771 6.050 1.00 0.58 C HETATM 792 C5 BO6 A 102 1.617 -2.973 6.715 1.00 0.56 C HETATM 793 C13 BO6 A 102 2.362 -3.772 7.489 1.00 0.57 C HETATM 794 C12 BO6 A 102 3.731 -3.588 7.564 1.00 0.59 C HETATM 795 C11 BO6 A 102 4.319 -2.579 6.840 1.00 0.60 C HETATM 796 C22 BO6 A 102 5.689 -2.347 6.879 1.00 0.64 C HETATM 797 C23 BO6 A 102 6.536 -2.079 5.631 1.00 0.69 C HETATM 798 C24 BO6 A 102 7.818 -1.540 5.674 1.00 0.66 C HETATM 799 C25 BO6 A 102 8.793 -2.189 6.444 1.00 0.61 C HETATM 800 C26 BO6 A 102 10.089 -1.686 6.516 1.00 0.65 C HETATM 801 N27 BO6 A 102 10.428 -0.527 5.820 1.00 0.72 N HETATM 802 C30 BO6 A 102 11.806 0.009 5.896 1.00 0.80 C HETATM 803 C28 BO6 A 102 9.465 0.127 5.051 1.00 0.78 C HETATM 804 C29 BO6 A 102 8.170 -0.376 4.979 1.00 0.76 C