USER MOD reduce.3.24.130724 H: found=0, std=0, add=285, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 285 hydrogens (10 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 Set 1.1: A 18 DT C7 :methyl 150:sc= -5.3! (180deg=-1.31) USER MOD Set 1.2: A 19 DT C7 :methyl 150:sc= -4.91! (180deg=0) USER MOD Set 2.1: A 1 DT O5' : rot 139:sc= 0.404 USER MOD Set 2.2: A 13 DT C7 :methyl -30:sc=-0.00144 (180deg=-0.00425) USER MOD Set 3.1: A 1 DT C7 :methyl -30:sc= -2.02 (180deg=-6.63!) USER MOD Set 3.2: A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0533 (180deg=-0.599) USER MOD Single : A 24 DT C7 :methyl -30:sc= 0 (180deg=-0.00353) USER MOD Single : A 25 DT C7 :methyl -30:sc= -1.99! (180deg=-2.48!) USER MOD Single : A 25 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 4.822 8.382 -4.988 1.00 0.71 O ATOM 2 C5' DT A 1 5.194 7.146 -5.587 1.00 0.73 C ATOM 3 C4' DT A 1 4.016 6.499 -6.268 1.00 0.62 C ATOM 4 O4' DT A 1 3.008 6.154 -5.278 1.00 0.51 O ATOM 5 C3' DT A 1 3.326 7.393 -7.286 1.00 0.66 C ATOM 6 O3' DT A 1 2.939 6.617 -8.427 1.00 0.71 O ATOM 7 C2' DT A 1 2.115 7.928 -6.535 1.00 0.60 C ATOM 8 C1' DT A 1 1.776 6.795 -5.580 1.00 0.52 C ATOM 9 N1 DT A 1 1.155 7.244 -4.314 1.00 0.58 N ATOM 10 C2 DT A 1 -0.225 7.185 -4.217 1.00 0.73 C ATOM 11 O2 DT A 1 -0.935 6.741 -5.106 1.00 0.80 O ATOM 12 N3 DT A 1 -0.746 7.652 -3.028 1.00 0.86 N ATOM 13 C4 DT A 1 -0.036 8.154 -1.948 1.00 0.85 C ATOM 14 O4 DT A 1 -0.640 8.553 -0.956 1.00 1.04 O ATOM 15 C5 DT A 1 1.411 8.176 -2.105 1.00 0.68 C ATOM 16 C7 DT A 1 2.257 8.662 -0.963 1.00 0.69 C ATOM 17 C6 DT A 1 1.934 7.731 -3.268 1.00 0.55 C ATOM 0 H5' DT A 1 5.592 6.475 -4.826 1.00 0.73 H new ATOM 0 H5'' DT A 1 5.990 7.314 -6.312 1.00 0.73 H new ATOM 0 H4' DT A 1 4.423 5.629 -6.784 1.00 0.62 H new ATOM 0 H3' DT A 1 3.958 8.196 -7.665 1.00 0.66 H new ATOM 0 H2' DT A 1 2.346 8.850 -6.001 1.00 0.60 H new ATOM 0 H2'' DT A 1 1.287 8.149 -7.209 1.00 0.60 H new ATOM 0 HO5' DT A 1 5.257 8.466 -4.114 1.00 0.71 H new ATOM 0 H1' DT A 1 1.045 6.143 -6.059 1.00 0.52 H new ATOM 0 H3 DT A 1 -1.761 7.625 -2.933 1.00 0.86 H new ATOM 0 H71 DT A 1 1.701 9.402 -0.387 1.00 0.69 H new ATOM 0 H72 DT A 1 2.516 7.822 -0.319 1.00 0.69 H new ATOM 0 H73 DT A 1 3.168 9.115 -1.353 1.00 0.69 H new ATOM 0 H6 DT A 1 3.007 7.754 -3.392 1.00 0.55 H new ATOM 31 P DA A 2 2.622 7.336 -9.829 1.00 0.91 P ATOM 32 OP1 DA A 2 3.278 6.578 -10.925 1.00 1.00 O ATOM 33 OP2 DA A 2 2.932 8.784 -9.715 1.00 1.26 O ATOM 34 O5' DA A 2 1.049 7.150 -9.937 1.00 0.80 O ATOM 35 C5' DA A 2 0.362 6.227 -9.099 1.00 0.64 C ATOM 36 C4' DA A 2 -1.063 6.052 -9.554 1.00 0.62 C ATOM 37 O4' DA A 2 -1.932 6.846 -8.731 1.00 0.61 O ATOM 38 C3' DA A 2 -1.330 6.515 -10.980 1.00 0.67 C ATOM 39 O3' DA A 2 -2.308 5.667 -11.613 1.00 0.73 O ATOM 40 C2' DA A 2 -1.858 7.950 -10.822 1.00 0.86 C ATOM 41 C1' DA A 2 -2.102 8.120 -9.314 1.00 0.77 C ATOM 42 N9 DA A 2 -1.197 9.069 -8.617 1.00 0.90 N ATOM 43 C8 DA A 2 -0.121 9.759 -9.127 1.00 1.02 C ATOM 44 N7 DA A 2 0.489 10.524 -8.247 1.00 1.17 N ATOM 45 C5 DA A 2 -0.229 10.326 -7.076 1.00 1.14 C ATOM 46 C6 DA A 2 -0.096 10.847 -5.758 1.00 1.28 C ATOM 47 N6 DA A 2 0.842 11.709 -5.375 1.00 1.46 N ATOM 48 N1 DA A 2 -0.981 10.435 -4.827 1.00 1.31 N ATOM 49 C2 DA A 2 -1.931 9.566 -5.184 1.00 1.24 C ATOM 50 N3 DA A 2 -2.169 9.007 -6.375 1.00 1.09 N ATOM 51 C4 DA A 2 -1.272 9.430 -7.291 1.00 1.01 C ATOM 0 H5' DA A 2 0.379 6.582 -8.069 1.00 0.64 H new ATOM 0 H5'' DA A 2 0.874 5.265 -9.113 1.00 0.64 H new ATOM 0 H4' DA A 2 -1.246 4.980 -9.486 1.00 0.62 H new ATOM 0 H3' DA A 2 -0.441 6.472 -11.610 1.00 0.67 H new ATOM 0 H2' DA A 2 -1.136 8.679 -11.190 1.00 0.86 H new ATOM 0 H2'' DA A 2 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-6.934 1.00 0.32 N ATOM 77 C5 DG A 3 2.685 3.203 -6.936 1.00 0.32 C ATOM 78 C6 DG A 3 1.764 3.202 -5.850 1.00 0.34 C ATOM 79 O6 DG A 3 2.013 3.255 -4.644 1.00 0.36 O ATOM 80 N1 DG A 3 0.438 3.134 -6.293 1.00 0.41 N ATOM 81 C2 DG A 3 0.058 3.072 -7.622 1.00 0.45 C ATOM 82 N2 DG A 3 -1.256 3.018 -7.870 1.00 0.57 N ATOM 83 N3 DG A 3 0.912 3.071 -8.639 1.00 0.43 N ATOM 84 C4 DG A 3 2.201 3.139 -8.229 1.00 0.37 C ATOM 0 H5' DG A 3 0.107 2.336 -13.086 1.00 0.50 H new ATOM 0 H5'' DG A 3 0.167 2.392 -11.336 1.00 0.50 H new ATOM 0 H4' DG A 3 1.997 3.903 -13.168 1.00 0.43 H new ATOM 0 H3' DG A 3 2.263 1.193 -12.986 1.00 0.51 H new ATOM 0 H2' DG A 3 2.384 1.146 -10.522 1.00 0.51 H new ATOM 0 H2'' DG A 3 4.068 1.094 -11.003 1.00 0.51 H new ATOM 0 H1' DG A 3 4.357 3.433 -10.770 1.00 0.42 H new ATOM 0 H8 DG A 3 5.415 3.260 -8.552 1.00 0.36 H new ATOM 0 H1 DG A 3 -0.299 3.130 -5.588 1.00 0.41 H new ATOM 0 H21 DG A 3 -1.592 2.971 -8.832 1.00 0.57 H new ATOM 0 H22 DG A 3 -1.921 3.024 -7.097 1.00 0.57 H new ATOM 96 P DG A 4 4.928 1.137 -13.730 1.00 0.70 P ATOM 97 OP1 DG A 4 5.847 1.666 -14.771 1.00 0.80 O ATOM 98 OP2 DG A 4 4.122 -0.061 -14.074 1.00 0.89 O ATOM 99 O5' DG A 4 5.770 0.835 -12.403 1.00 0.62 O ATOM 100 C5' DG A 4 6.882 1.644 -12.032 1.00 0.61 C ATOM 101 C4' DG A 4 7.476 1.206 -10.705 1.00 0.53 C ATOM 102 O4' DG A 4 6.479 1.318 -9.662 1.00 0.49 O ATOM 103 C3' DG A 4 7.977 -0.247 -10.649 1.00 0.54 C ATOM 104 O3' DG A 4 9.364 -0.260 -10.256 1.00 0.61 O ATOM 105 C2' DG A 4 7.100 -0.908 -9.582 1.00 0.50 C ATOM 106 C1' DG A 4 6.676 0.272 -8.738 1.00 0.44 C ATOM 107 N9 DG A 4 5.432 0.076 -7.979 1.00 0.43 N ATOM 108 C8 DG A 4 4.174 -0.144 -8.485 1.00 0.48 C ATOM 109 N7 DG A 4 3.262 -0.258 -7.560 1.00 0.49 N ATOM 110 C5 DG A 4 3.954 -0.110 -6.373 1.00 0.44 C ATOM 111 C6 DG A 4 3.487 -0.142 -5.029 1.00 0.45 C ATOM 112 O6 DG A 4 2.330 -0.305 -4.633 1.00 0.51 O ATOM 113 N1 DG A 4 4.527 0.048 -4.113 1.00 0.42 N ATOM 114 C2 DG A 4 5.853 0.245 -4.458 1.00 0.40 C ATOM 115 N2 DG A 4 6.727 0.397 -3.452 1.00 0.41 N ATOM 116 N3 DG A 4 6.293 0.279 -5.714 1.00 0.40 N ATOM 117 C4 DG A 4 5.299 0.096 -6.612 1.00 0.41 C ATOM 0 H5' DG A 4 6.568 2.686 -11.964 1.00 0.61 H new ATOM 0 H5'' DG A 4 7.646 1.591 -12.808 1.00 0.61 H new ATOM 0 H4' DG A 4 8.334 1.865 -10.572 1.00 0.53 H new ATOM 0 H3' DG A 4 7.912 -0.764 -11.606 1.00 0.54 H new ATOM 0 H2' DG A 4 6.245 -1.423 -10.020 1.00 0.50 H new ATOM 0 H2'' DG A 4 7.653 -1.646 -9.001 1.00 0.50 H new ATOM 0 H1' DG A 4 7.439 0.458 -7.983 1.00 0.44 H new ATOM 0 H8 DG A 4 3.962 -0.215 -9.542 1.00 0.48 H new ATOM 0 H1 DG A 4 4.292 0.041 -3.121 1.00 0.42 H new ATOM 0 H21 DG A 4 7.716 0.545 -3.654 1.00 0.41 H new ATOM 0 H22 DG A 4 6.403 0.365 -2.485 1.00 0.41 H new ATOM 129 P DG A 5 10.164 -1.650 -10.081 1.00 0.71 P ATOM 130 OP1 DG A 5 11.597 -1.424 -10.398 1.00 0.88 O ATOM 131 OP2 DG A 5 9.453 -2.713 -10.836 1.00 0.90 O ATOM 132 O5' DG A 5 10.017 -1.932 -8.517 1.00 0.62 O ATOM 133 C5' DG A 5 10.613 -1.071 -7.550 1.00 0.52 C ATOM 134 C4' DG A 5 10.432 -1.619 -6.150 1.00 0.40 C ATOM 135 O4' DG A 5 9.043 -1.522 -5.777 1.00 0.39 O ATOM 136 C3' DG A 5 10.805 -3.096 -5.986 1.00 0.39 C ATOM 137 O3' DG A 5 11.861 -3.241 -5.016 1.00 0.44 O ATOM 138 C2' DG A 5 9.535 -3.774 -5.498 1.00 0.36 C ATOM 139 C1' DG A 5 8.718 -2.626 -4.968 1.00 0.33 C ATOM 140 N9 DG A 5 7.282 -2.854 -5.046 1.00 0.33 N ATOM 141 C8 DG A 5 6.525 -2.963 -6.182 1.00 0.35 C ATOM 142 N7 DG A 5 5.260 -3.213 -5.932 1.00 0.39 N ATOM 143 C5 DG A 5 5.201 -3.272 -4.541 1.00 0.38 C ATOM 144 C6 DG A 5 4.103 -3.517 -3.667 1.00 0.43 C ATOM 145 O6 DG A 5 2.931 -3.722 -3.967 1.00 0.48 O ATOM 146 N1 DG A 5 4.488 -3.496 -2.319 1.00 0.44 N ATOM 147 C2 DG A 5 5.778 -3.260 -1.877 1.00 0.40 C ATOM 148 N2 DG A 5 5.988 -3.278 -0.554 1.00 0.44 N ATOM 149 N3 DG A 5 6.801 -3.029 -2.687 1.00 0.36 N ATOM 150 C4 DG A 5 6.446 -3.050 -3.991 1.00 0.35 C ATOM 0 H5' DG A 5 10.166 -0.079 -7.617 1.00 0.52 H new ATOM 0 H5'' DG A 5 11.675 -0.957 -7.765 1.00 0.52 H new ATOM 0 H4' DG A 5 11.101 -1.024 -5.528 1.00 0.40 H new ATOM 0 H3' DG A 5 11.168 -3.534 -6.916 1.00 0.39 H new ATOM 0 H2' DG A 5 9.021 -4.296 -6.305 1.00 0.36 H new ATOM 0 H2'' DG A 5 9.744 -4.512 -4.723 1.00 0.36 H new ATOM 0 H1' DG A 5 8.947 -2.481 -3.912 1.00 0.33 H new ATOM 0 H8 DG A 5 6.926 -2.855 -7.179 1.00 0.35 H new ATOM 0 H1 DG A 5 3.768 -3.666 -1.616 1.00 0.44 H new ATOM 0 H21 DG A 5 6.923 -3.109 -0.184 1.00 0.44 H new ATOM 0 H22 DG A 5 5.213 -3.461 0.083 1.00 0.44 H new ATOM 162 P DT A 6 12.529 -4.683 -4.738 1.00 0.55 P ATOM 163 OP1 DT A 6 13.895 -4.481 -4.190 1.00 0.74 O ATOM 164 OP2 DT A 6 12.398 -5.516 -5.960 1.00 0.83 O ATOM 165 O5' DT A 6 11.597 -5.293 -3.589 1.00 0.47 O ATOM 166 C5' DT A 6 11.896 -6.556 -2.992 1.00 0.59 C ATOM 167 C4' DT A 6 11.303 -6.681 -1.597 1.00 0.63 C ATOM 168 O4' DT A 6 11.481 -5.435 -0.865 1.00 0.65 O ATOM 169 C3' DT A 6 9.803 -6.977 -1.541 1.00 0.58 C ATOM 170 O3' DT A 6 9.526 -7.868 -0.442 1.00 0.72 O ATOM 171 C2' DT A 6 9.197 -5.612 -1.277 1.00 0.59 C ATOM 172 C1' DT A 6 10.228 -5.014 -0.346 1.00 0.67 C ATOM 173 N1 DT A 6 10.212 -3.543 -0.270 1.00 0.69 N ATOM 174 C2 DT A 6 9.595 -2.960 0.828 1.00 0.98 C ATOM 175 O2 DT A 6 9.076 -3.609 1.722 1.00 1.19 O ATOM 176 N3 DT A 6 9.610 -1.584 0.838 1.00 1.06 N ATOM 177 C4 DT A 6 10.172 -0.752 -0.122 1.00 0.88 C ATOM 178 O4 DT A 6 10.114 0.463 0.018 1.00 1.03 O ATOM 179 C5 DT A 6 10.800 -1.428 -1.246 1.00 0.60 C ATOM 180 C7 DT A 6 11.426 -0.601 -2.327 1.00 0.49 C ATOM 181 C6 DT A 6 10.792 -2.774 -1.269 1.00 0.53 C ATOM 0 H5' DT A 6 12.977 -6.685 -2.939 1.00 0.59 H new ATOM 0 H5'' DT A 6 11.510 -7.356 -3.623 1.00 0.59 H new ATOM 0 H4' DT A 6 11.836 -7.529 -1.167 1.00 0.63 H new ATOM 0 H3' DT A 6 9.414 -7.453 -2.441 1.00 0.58 H new ATOM 0 H2' DT A 6 9.079 -5.029 -2.191 1.00 0.59 H new ATOM 0 H2'' DT A 6 8.213 -5.680 -0.813 1.00 0.59 H new ATOM 0 H1' DT A 6 10.021 -5.349 0.670 1.00 0.67 H new ATOM 0 H3 DT A 6 9.162 -1.128 1.633 1.00 1.06 H new ATOM 0 H71 DT A 6 12.259 -1.149 -2.768 1.00 0.49 H new ATOM 0 H72 DT A 6 10.685 -0.387 -3.097 1.00 0.49 H new ATOM 0 H73 DT A 6 11.791 0.335 -1.904 1.00 0.49 H new ATOM 0 H6 DT A 6 11.258 -3.278 -2.103 1.00 0.53 H new ATOM 194 P DT A 7 8.344 -8.957 -0.538 1.00 0.66 P ATOM 195 OP1 DT A 7 8.255 -9.688 0.752 1.00 0.88 O ATOM 196 OP2 DT A 7 8.538 -9.763 -1.771 1.00 0.76 O ATOM 197 O5' DT A 7 7.044 -8.046 -0.711 1.00 0.60 O ATOM 198 C5' DT A 7 6.475 -7.314 0.375 1.00 0.67 C ATOM 199 C4' DT A 7 5.002 -7.635 0.541 1.00 0.63 C ATOM 200 O4' DT A 7 4.273 -7.196 -0.630 1.00 0.58 O ATOM 201 C3' DT A 7 4.675 -9.119 0.683 1.00 0.64 C ATOM 202 O3' DT A 7 3.490 -9.300 1.485 1.00 0.73 O ATOM 203 C2' DT A 7 4.418 -9.557 -0.746 1.00 0.56 C ATOM 204 C1' DT A 7 3.810 -8.314 -1.382 1.00 0.52 C ATOM 205 N1 DT A 7 4.194 -8.115 -2.787 1.00 0.49 N ATOM 206 C2 DT A 7 3.194 -8.046 -3.743 1.00 0.59 C ATOM 207 O2 DT A 7 2.009 -8.188 -3.482 1.00 0.69 O ATOM 208 N3 DT A 7 3.639 -7.826 -5.028 1.00 0.64 N ATOM 209 C4 DT A 7 4.958 -7.683 -5.441 1.00 0.58 C ATOM 210 O4 DT A 7 5.210 -7.493 -6.627 1.00 0.67 O ATOM 211 C5 DT A 7 5.951 -7.776 -4.382 1.00 0.49 C ATOM 212 C7 DT A 7 7.399 -7.652 -4.718 1.00 0.51 C ATOM 213 C6 DT A 7 5.528 -7.981 -3.126 1.00 0.46 C ATOM 0 H5' DT A 7 6.600 -6.245 0.201 1.00 0.67 H new ATOM 0 H5'' DT A 7 7.008 -7.552 1.296 1.00 0.67 H new ATOM 0 H4' DT A 7 4.719 -7.125 1.462 1.00 0.63 H new ATOM 0 H3' DT A 7 5.466 -9.688 1.171 1.00 0.64 H new ATOM 0 H2' DT A 7 5.338 -9.858 -1.247 1.00 0.56 H new ATOM 0 H2'' DT A 7 3.738 -10.407 -0.791 1.00 0.56 H new ATOM 0 H1' DT A 7 2.726 -8.428 -1.371 1.00 0.52 H new ATOM 0 H3 DT A 7 2.925 -7.761 -5.753 1.00 0.64 H new ATOM 0 H71 DT A 7 7.571 -8.023 -5.729 1.00 0.51 H new ATOM 0 H72 DT A 7 7.698 -6.605 -4.659 1.00 0.51 H new ATOM 0 H73 DT A 7 7.988 -8.237 -4.012 1.00 0.51 H new ATOM 0 H6 DT A 7 6.266 -8.045 -2.340 1.00 0.46 H new ATOM 226 P DA A 8 3.598 -9.619 3.060 1.00 0.82 P ATOM 227 OP1 DA A 8 4.862 -9.044 3.589 1.00 0.87 O ATOM 228 OP2 DA A 8 3.364 -11.070 3.268 1.00 1.03 O ATOM 229 O5' DA A 8 2.362 -8.802 3.662 1.00 0.76 O ATOM 230 C5' DA A 8 2.558 -7.647 4.475 1.00 0.72 C ATOM 231 C4' DA A 8 1.298 -6.803 4.558 1.00 0.70 C ATOM 232 O4' DA A 8 0.916 -6.368 3.231 1.00 0.63 O ATOM 233 C3' DA A 8 0.064 -7.510 5.118 1.00 0.75 C ATOM 234 O3' DA A 8 -0.779 -6.564 5.805 1.00 0.94 O ATOM 235 C2' DA A 8 -0.623 -8.022 3.863 1.00 0.65 C ATOM 236 C1' DA A 8 -0.360 -6.891 2.885 1.00 0.60 C ATOM 237 N9 DA A 8 -0.321 -7.291 1.470 1.00 0.56 N ATOM 238 C8 DA A 8 0.776 -7.707 0.756 1.00 0.56 C ATOM 239 N7 DA A 8 0.528 -7.958 -0.502 1.00 0.53 N ATOM 240 C5 DA A 8 -0.827 -7.691 -0.636 1.00 0.52 C ATOM 241 C6 DA A 8 -1.698 -7.764 -1.742 1.00 0.56 C ATOM 242 N6 DA A 8 -1.302 -8.117 -2.961 1.00 0.57 N ATOM 243 N1 DA A 8 -3.000 -7.436 -1.551 1.00 0.60 N ATOM 244 C2 DA A 8 -3.391 -7.054 -0.323 1.00 0.60 C ATOM 245 N3 DA A 8 -2.663 -6.942 0.800 1.00 0.58 N ATOM 246 C4 DA A 8 -1.370 -7.281 0.573 1.00 0.54 C ATOM 0 H5' DA A 8 3.372 -7.048 4.067 1.00 0.72 H new ATOM 0 H5'' DA A 8 2.859 -7.953 5.477 1.00 0.72 H new ATOM 0 H4' DA A 8 1.570 -5.996 5.238 1.00 0.70 H new ATOM 0 H3' DA A 8 0.295 -8.296 5.837 1.00 0.75 H new ATOM 0 H2' DA A 8 -0.199 -8.966 3.521 1.00 0.65 H new ATOM 0 H2'' DA A 8 -1.689 -8.189 4.019 1.00 0.65 H new ATOM 0 H1' DA A 8 -1.182 -6.180 2.966 1.00 0.60 H new ATOM 0 H8 DA A 8 1.756 -7.817 1.195 1.00 0.56 H new ATOM 0 H61 DA A 8 -1.976 -8.153 -3.726 1.00 0.57 H new ATOM 0 H62 DA A 8 -0.324 -8.352 -3.131 1.00 0.57 H new ATOM 0 H2 DA A 8 -4.437 -6.802 -0.226 1.00 0.60 H new ATOM 258 P DG A 9 -0.563 -6.254 7.373 1.00 1.22 P ATOM 259 OP1 DG A 9 -0.476 -7.539 8.113 1.00 1.38 O ATOM 260 OP2 DG A 9 -1.595 -5.281 7.811 1.00 1.52 O ATOM 261 O5' DG A 9 0.868 -5.545 7.400 1.00 1.09 O ATOM 262 C5' DG A 9 1.010 -4.135 7.242 1.00 1.06 C ATOM 263 C4' DG A 9 2.473 -3.741 7.257 1.00 0.90 C ATOM 264 O4' DG A 9 3.117 -4.235 6.047 1.00 0.71 O ATOM 265 C3' DG A 9 2.736 -2.233 7.263 1.00 0.90 C ATOM 266 O3' DG A 9 3.941 -1.949 8.005 1.00 0.93 O ATOM 267 C2' DG A 9 2.911 -1.935 5.785 1.00 0.74 C ATOM 268 C1' DG A 9 3.693 -3.149 5.340 1.00 0.60 C ATOM 269 N9 DG A 9 3.625 -3.434 3.899 1.00 0.48 N ATOM 270 C8 DG A 9 4.683 -3.664 3.055 1.00 0.46 C ATOM 271 N7 DG A 9 4.318 -3.877 1.821 1.00 0.43 N ATOM 272 C5 DG A 9 2.939 -3.783 1.845 1.00 0.40 C ATOM 273 C6 DG A 9 1.990 -3.922 0.790 1.00 0.42 C ATOM 274 O6 DG A 9 2.207 -4.147 -0.408 1.00 0.46 O ATOM 275 N1 DG A 9 0.678 -3.755 1.253 1.00 0.43 N ATOM 276 C2 DG A 9 0.336 -3.483 2.567 1.00 0.45 C ATOM 277 N2 DG A 9 -0.968 -3.374 2.839 1.00 0.52 N ATOM 278 N3 DG A 9 1.218 -3.346 3.551 1.00 0.46 N ATOM 279 C4 DG A 9 2.492 -3.509 3.124 1.00 0.42 C ATOM 0 H5' DG A 9 0.481 -3.619 8.043 1.00 1.06 H new ATOM 0 H5'' DG A 9 0.553 -3.821 6.304 1.00 1.06 H new ATOM 0 H4' DG A 9 2.862 -4.168 8.182 1.00 0.90 H new ATOM 0 H3' DG A 9 1.952 -1.637 7.730 1.00 0.90 H new ATOM 0 H2' DG A 9 1.957 -1.846 5.266 1.00 0.74 H new ATOM 0 H2'' DG A 9 3.456 -1.007 5.613 1.00 0.74 H new ATOM 0 H1' DG A 9 4.750 -2.979 5.544 1.00 0.60 H new ATOM 0 H8 DG A 9 5.713 -3.668 3.380 1.00 0.46 H new ATOM 0 H1 DG A 9 -0.079 -3.840 0.574 1.00 0.43 H new ATOM 0 H21 DG A 9 -1.275 -3.174 3.791 1.00 0.52 H new ATOM 0 H22 DG A 9 -1.656 -3.490 2.095 1.00 0.52 H new ATOM 291 P DG A 10 4.611 -0.482 7.977 1.00 0.88 P ATOM 292 OP1 DG A 10 5.349 -0.265 9.248 1.00 1.04 O ATOM 293 OP2 DG A 10 3.574 0.515 7.606 1.00 1.03 O ATOM 294 O5' DG A 10 5.666 -0.612 6.784 1.00 0.63 O ATOM 295 C5' DG A 10 5.902 0.465 5.882 1.00 0.62 C ATOM 296 C4' DG A 10 7.248 0.312 5.205 1.00 0.49 C ATOM 297 O4' DG A 10 7.069 -0.292 3.890 1.00 0.40 O ATOM 298 C3' DG A 10 7.970 1.632 4.933 1.00 0.58 C ATOM 299 O3' DG A 10 9.396 1.427 4.923 1.00 0.66 O ATOM 300 C2' DG A 10 7.466 1.970 3.546 1.00 0.51 C ATOM 301 C1' DG A 10 7.523 0.618 2.899 1.00 0.42 C ATOM 302 N9 DG A 10 6.698 0.468 1.687 1.00 0.39 N ATOM 303 C8 DG A 10 7.159 0.465 0.394 1.00 0.39 C ATOM 304 N7 DG A 10 6.217 0.331 -0.490 1.00 0.40 N ATOM 305 C5 DG A 10 5.058 0.240 0.250 1.00 0.40 C ATOM 306 C6 DG A 10 3.715 0.084 -0.184 1.00 0.46 C ATOM 307 O6 DG A 10 3.301 -0.008 -1.343 1.00 0.50 O ATOM 308 N1 DG A 10 2.824 0.038 0.892 1.00 0.48 N ATOM 309 C2 DG A 10 3.190 0.129 2.222 1.00 0.46 C ATOM 310 N2 DG A 10 2.196 0.067 3.123 1.00 0.50 N ATOM 311 N3 DG A 10 4.448 0.274 2.638 1.00 0.42 N ATOM 312 C4 DG A 10 5.327 0.322 1.604 1.00 0.39 C ATOM 0 H5' DG A 10 5.866 1.412 6.421 1.00 0.62 H new ATOM 0 H5'' DG A 10 5.113 0.496 5.131 1.00 0.62 H new ATOM 0 H4' DG A 10 7.838 -0.289 5.897 1.00 0.49 H new ATOM 0 H3' DG A 10 7.786 2.410 5.674 1.00 0.58 H new ATOM 0 H2' DG A 10 6.456 2.381 3.560 1.00 0.51 H new ATOM 0 H2'' DG A 10 8.100 2.699 3.041 1.00 0.51 H new ATOM 0 H1' DG A 10 8.543 0.442 2.558 1.00 0.42 H new ATOM 0 H8 DG A 10 8.203 0.564 0.137 1.00 0.39 H new ATOM 0 H1 DG A 10 1.832 -0.071 0.681 1.00 0.48 H new ATOM 0 H21 DG A 10 2.406 0.129 4.119 1.00 0.50 H new ATOM 0 H22 DG A 10 1.231 -0.042 2.811 1.00 0.50 H new ATOM 324 P DG A 11 10.407 2.682 4.862 1.00 0.87 P ATOM 325 OP1 DG A 11 11.802 2.183 4.961 1.00 1.13 O ATOM 326 OP2 DG A 11 9.969 3.694 5.856 1.00 1.08 O ATOM 327 O5' DG A 11 10.163 3.256 3.393 1.00 0.69 O ATOM 328 C5' DG A 11 10.781 2.676 2.246 1.00 0.64 C ATOM 329 C4' DG A 11 10.499 3.509 1.013 1.00 0.50 C ATOM 330 O4' DG A 11 9.203 3.150 0.480 1.00 0.45 O ATOM 331 C3' DG A 11 10.441 5.021 1.274 1.00 0.44 C ATOM 332 O3' DG A 11 11.364 5.715 0.412 1.00 0.54 O ATOM 333 C2' DG A 11 9.001 5.411 0.947 1.00 0.43 C ATOM 334 C1' DG A 11 8.559 4.310 0.005 1.00 0.40 C ATOM 335 N9 DG A 11 7.111 4.058 -0.021 1.00 0.39 N ATOM 336 C8 DG A 11 6.264 3.980 1.061 1.00 0.40 C ATOM 337 N7 DG A 11 5.037 3.710 0.735 1.00 0.41 N ATOM 338 C5 DG A 11 5.060 3.612 -0.642 1.00 0.39 C ATOM 339 C6 DG A 11 4.002 3.347 -1.549 1.00 0.41 C ATOM 340 O6 DG A 11 2.823 3.120 -1.281 1.00 0.45 O ATOM 341 N1 DG A 11 4.439 3.355 -2.880 1.00 0.40 N ATOM 342 C2 DG A 11 5.746 3.577 -3.274 1.00 0.38 C ATOM 343 N2 DG A 11 5.990 3.560 -4.597 1.00 0.44 N ATOM 344 N3 DG A 11 6.747 3.818 -2.425 1.00 0.38 N ATOM 345 C4 DG A 11 6.333 3.825 -1.132 1.00 0.37 C ATOM 0 H5' DG A 11 10.410 1.662 2.099 1.00 0.64 H new ATOM 0 H5'' DG A 11 11.857 2.602 2.404 1.00 0.64 H new ATOM 0 H4' DG A 11 11.325 3.303 0.333 1.00 0.50 H new ATOM 0 H3' DG A 11 10.716 5.279 2.297 1.00 0.44 H new ATOM 0 H2' DG A 11 8.380 5.451 1.842 1.00 0.43 H new ATOM 0 H2'' DG A 11 8.945 6.392 0.476 1.00 0.43 H new ATOM 0 H1' DG A 11 8.815 4.600 -1.014 1.00 0.40 H new ATOM 0 H8 DG A 11 6.588 4.129 2.080 1.00 0.40 H new ATOM 0 H1 DG A 11 3.746 3.185 -3.609 1.00 0.40 H new ATOM 0 H21 DG A 11 6.936 3.718 -4.943 1.00 0.44 H new ATOM 0 H22 DG A 11 5.229 3.389 -5.254 1.00 0.44 H new ATOM 357 P DT A 12 12.584 6.575 1.030 1.00 0.88 P ATOM 358 OP1 DT A 12 13.865 6.035 0.508 1.00 1.57 O ATOM 359 OP2 DT A 12 12.427 6.659 2.504 1.00 1.35 O ATOM 360 O5' DT A 12 12.344 8.023 0.402 1.00 1.41 O ATOM 361 C5' DT A 12 11.201 8.811 0.730 1.00 1.20 C ATOM 362 C4' DT A 12 10.425 9.154 -0.523 1.00 1.10 C ATOM 363 O4' DT A 12 9.569 8.060 -0.878 1.00 1.03 O ATOM 364 C3' DT A 12 9.466 10.327 -0.406 1.00 1.06 C ATOM 365 O3' DT A 12 10.167 11.567 -0.602 1.00 1.16 O ATOM 366 C2' DT A 12 8.482 10.064 -1.542 1.00 0.95 C ATOM 367 C1' DT A 12 8.567 8.550 -1.752 1.00 0.90 C ATOM 368 N1 DT A 12 7.311 7.836 -1.478 1.00 0.71 N ATOM 369 C2 DT A 12 6.667 7.263 -2.552 1.00 0.69 C ATOM 370 O2 DT A 12 7.151 7.248 -3.669 1.00 0.83 O ATOM 371 N3 DT A 12 5.447 6.688 -2.265 1.00 0.59 N ATOM 372 C4 DT A 12 4.835 6.623 -1.025 1.00 0.53 C ATOM 373 O4 DT A 12 3.735 6.082 -0.915 1.00 0.62 O ATOM 374 C5 DT A 12 5.577 7.233 0.069 1.00 0.53 C ATOM 375 C7 DT A 12 4.998 7.187 1.446 1.00 0.60 C ATOM 376 C6 DT A 12 6.764 7.807 -0.205 1.00 0.62 C ATOM 0 H5' DT A 12 11.513 9.725 1.235 1.00 1.20 H new ATOM 0 H5'' DT A 12 10.562 8.266 1.425 1.00 1.20 H new ATOM 0 H4' DT A 12 11.208 9.392 -1.243 1.00 1.10 H new ATOM 0 H3' DT A 12 8.984 10.410 0.568 1.00 1.06 H new ATOM 0 H2' DT A 12 7.472 10.375 -1.277 1.00 0.95 H new ATOM 0 H2'' DT A 12 8.757 10.610 -2.445 1.00 0.95 H new ATOM 0 H1' DT A 12 8.793 8.374 -2.804 1.00 0.90 H new ATOM 0 H3 DT A 12 4.944 6.267 -3.046 1.00 0.59 H new ATOM 0 H71 DT A 12 5.804 7.170 2.179 1.00 0.60 H new ATOM 0 H72 DT A 12 4.377 8.068 1.609 1.00 0.60 H new ATOM 0 H73 DT A 12 4.390 6.289 1.555 1.00 0.60 H new ATOM 0 H6 DT A 12 7.314 8.265 0.603 1.00 0.62 H new ATOM 389 P DT A 13 9.356 12.952 -0.734 1.00 1.28 P ATOM 390 OP1 DT A 13 8.849 13.089 -2.124 1.00 1.47 O ATOM 391 OP2 DT A 13 10.205 14.049 -0.204 1.00 1.58 O ATOM 392 O5' DT A 13 8.117 12.733 0.249 1.00 1.10 O ATOM 393 C5' DT A 13 7.547 13.829 0.949 1.00 1.10 C ATOM 394 C4' DT A 13 6.181 13.489 1.506 1.00 1.03 C ATOM 395 O4' DT A 13 5.185 13.972 0.580 1.00 1.07 O ATOM 396 C3' DT A 13 5.900 12.000 1.723 1.00 0.89 C ATOM 397 O3' DT A 13 5.274 11.785 3.003 1.00 0.95 O ATOM 398 C2' DT A 13 4.948 11.635 0.598 1.00 0.88 C ATOM 399 C1' DT A 13 4.256 12.960 0.280 1.00 1.02 C ATOM 400 N1 DT A 13 3.832 13.131 -1.122 1.00 1.03 N ATOM 401 C2 DT A 13 2.749 13.962 -1.387 1.00 1.20 C ATOM 402 O2 DT A 13 2.146 14.566 -0.514 1.00 1.34 O ATOM 403 N3 DT A 13 2.403 14.058 -2.719 1.00 1.29 N ATOM 404 C4 DT A 13 3.011 13.411 -3.786 1.00 1.24 C ATOM 405 O4 DT A 13 2.612 13.605 -4.934 1.00 1.39 O ATOM 406 C5 DT A 13 4.125 12.548 -3.432 1.00 1.08 C ATOM 407 C7 DT A 13 4.772 11.749 -4.514 1.00 1.13 C ATOM 408 C6 DT A 13 4.491 12.463 -2.139 1.00 0.98 C ATOM 0 H5' DT A 13 7.464 14.685 0.279 1.00 1.10 H new ATOM 0 H5'' DT A 13 8.209 14.124 1.763 1.00 1.10 H new ATOM 0 H4' DT A 13 6.149 13.958 2.490 1.00 1.03 H new ATOM 0 H3' DT A 13 6.808 11.397 1.717 1.00 0.89 H new ATOM 0 H2' DT A 13 5.480 11.241 -0.268 1.00 0.88 H new ATOM 0 H2'' DT A 13 4.234 10.872 0.907 1.00 0.88 H new ATOM 0 H1' DT A 13 3.339 12.995 0.868 1.00 1.02 H new ATOM 0 H3 DT A 13 1.618 14.669 -2.943 1.00 1.29 H new ATOM 0 H71 DT A 13 4.035 11.512 -5.282 1.00 1.13 H new ATOM 0 H72 DT A 13 5.584 12.326 -4.956 1.00 1.13 H new ATOM 0 H73 DT A 13 5.170 10.824 -4.095 1.00 1.13 H new ATOM 0 H6 DT A 13 5.339 11.844 -1.884 1.00 0.98 H new ATOM 421 P DA A 14 5.460 10.382 3.782 1.00 0.93 P ATOM 422 OP1 DA A 14 5.769 10.660 5.208 1.00 1.12 O ATOM 423 OP2 DA A 14 6.418 9.533 3.028 1.00 0.86 O ATOM 424 O5' DA A 14 4.003 9.731 3.687 1.00 0.95 O ATOM 425 C5' DA A 14 2.898 10.286 4.396 1.00 1.10 C ATOM 426 C4' DA A 14 1.915 9.214 4.827 1.00 1.12 C ATOM 427 O4' DA A 14 1.074 8.853 3.713 1.00 1.07 O ATOM 428 C3' DA A 14 2.533 7.896 5.324 1.00 1.06 C ATOM 429 O3' DA A 14 2.169 7.681 6.703 1.00 1.23 O ATOM 430 C2' DA A 14 1.917 6.827 4.414 1.00 1.05 C ATOM 431 C1' DA A 14 0.680 7.517 3.889 1.00 1.07 C ATOM 432 N9 DA A 14 0.188 7.003 2.609 1.00 1.00 N ATOM 433 C8 DA A 14 0.931 6.587 1.536 1.00 0.87 C ATOM 434 N7 DA A 14 0.213 6.197 0.514 1.00 0.86 N ATOM 435 C5 DA A 14 -1.098 6.366 0.943 1.00 0.99 C ATOM 436 C6 DA A 14 -2.345 6.131 0.318 1.00 1.09 C ATOM 437 N6 DA A 14 -2.471 5.659 -0.922 1.00 1.05 N ATOM 438 N1 DA A 14 -3.471 6.403 1.026 1.00 1.28 N ATOM 439 C2 DA A 14 -3.340 6.881 2.276 1.00 1.36 C ATOM 440 N3 DA A 14 -2.225 7.144 2.969 1.00 1.28 N ATOM 441 C4 DA A 14 -1.126 6.862 2.237 1.00 1.09 C ATOM 0 H5' DA A 14 2.389 11.014 3.765 1.00 1.10 H new ATOM 0 H5'' DA A 14 3.260 10.822 5.273 1.00 1.10 H new ATOM 0 H4' DA A 14 1.384 9.670 5.662 1.00 1.12 H new ATOM 0 H3' DA A 14 3.622 7.885 5.283 1.00 1.06 H new ATOM 0 H2' DA A 14 2.594 6.540 3.609 1.00 1.05 H new ATOM 0 H2'' DA A 14 1.672 5.918 4.964 1.00 1.05 H new ATOM 0 H1' DA A 14 -0.141 7.362 4.590 1.00 1.07 H new ATOM 0 H8 DA A 14 2.011 6.581 1.534 1.00 0.87 H new ATOM 0 H61 DA A 14 -3.399 5.510 -1.319 1.00 1.05 H new ATOM 0 H62 DA A 14 -1.640 5.447 -1.474 1.00 1.05 H new ATOM 0 H2 DA A 14 -4.266 7.081 2.795 1.00 1.36 H new HETATM 453 P BGM A 15 2.526 6.301 7.464 1.00 1.22 P HETATM 454 OP1 BGM A 15 2.995 6.616 8.837 1.00 1.49 O HETATM 455 OP2 BGM A 15 3.421 5.484 6.603 1.00 1.25 O HETATM 456 O5' BGM A 15 1.097 5.592 7.558 1.00 1.09 O HETATM 457 C5' BGM A 15 0.946 4.185 7.386 1.00 0.99 C HETATM 458 C4' BGM A 15 -0.520 3.807 7.327 1.00 0.90 C HETATM 459 O4' BGM A 15 -1.058 4.187 6.028 1.00 0.83 O HETATM 460 C1' BGM A 15 -1.705 3.070 5.451 1.00 0.78 C HETATM 461 N9 BGM A 15 -1.626 3.171 3.984 1.00 0.74 N HETATM 462 C8 BGM A 15 -2.670 3.112 3.093 1.00 0.78 C HETATM 463 N7 BGM A 15 -2.306 3.105 1.846 1.00 0.75 N HETATM 464 C5 BGM A 15 -0.926 3.174 1.900 1.00 0.67 C HETATM 465 C4 BGM A 15 -0.482 3.223 3.212 1.00 0.67 C HETATM 466 N3 BGM A 15 0.795 3.302 3.663 1.00 0.65 N HETATM 467 C2 BGM A 15 1.679 3.337 2.666 1.00 0.61 C HETATM 468 N2 BGM A 15 2.987 3.444 2.940 1.00 0.62 N HETATM 469 N1 BGM A 15 1.336 3.289 1.327 1.00 0.58 N HETATM 470 C6 BGM A 15 0.026 3.203 0.845 1.00 0.61 C HETATM 471 O6 BGM A 15 -0.186 3.153 -0.368 1.00 0.63 O HETATM 472 C2' BGM A 15 -0.999 1.866 6.033 1.00 0.78 C HETATM 473 C3' BGM A 15 -0.800 2.304 7.467 1.00 0.85 C HETATM 474 O3' BGM A 15 -2.001 2.074 8.231 1.00 0.88 O HETATM 475 BR BGM A 15 -4.497 3.074 3.610 1.00 0.85 BR HETATM 0 H5'' BGM A 15 1.445 3.870 6.470 1.00 0.99 H new HETATM 0 H2'' BGM A 15 -1.602 0.961 5.960 1.00 0.78 H new HETATM 0 H5' BGM A 15 1.429 3.659 8.209 1.00 0.99 H new HETATM 0 H4' BGM A 15 -0.980 4.325 8.169 1.00 0.90 H new HETATM 0 H3' BGM A 15 -0.006 1.766 7.984 1.00 0.85 H new HETATM 0 H22 BGM A 15 3.667 3.471 2.180 1.00 0.62 H new HETATM 0 H21 BGM A 15 3.302 3.498 3.908 1.00 0.62 H new HETATM 0 H2' BGM A 15 -0.054 1.661 5.531 1.00 0.78 H new HETATM 0 H1' BGM A 15 -2.770 3.002 5.672 1.00 0.78 H new HETATM 0 H1 BGM A 15 2.092 3.318 0.643 1.00 0.58 H new ATOM 486 P DG A 16 -2.383 0.583 8.724 1.00 0.91 P ATOM 487 OP1 DG A 16 -3.364 0.681 9.836 1.00 0.96 O ATOM 488 OP2 DG A 16 -1.131 -0.170 8.984 1.00 1.06 O ATOM 489 O5' DG A 16 -3.111 -0.046 7.446 1.00 0.86 O ATOM 490 C5' DG A 16 -4.522 0.075 7.256 1.00 0.82 C ATOM 491 C4' DG A 16 -4.937 -0.362 5.862 1.00 0.73 C ATOM 492 O4' DG A 16 -4.067 0.226 4.885 1.00 0.67 O ATOM 493 C3' DG A 16 -4.850 -1.862 5.583 1.00 0.72 C ATOM 494 O3' DG A 16 -6.118 -2.495 5.851 1.00 0.79 O ATOM 495 C2' DG A 16 -4.514 -1.941 4.089 1.00 0.65 C ATOM 496 C1' DG A 16 -4.194 -0.505 3.685 1.00 0.63 C ATOM 497 N9 DG A 16 -2.950 -0.367 2.917 1.00 0.60 N ATOM 498 C8 DG A 16 -1.673 -0.281 3.418 1.00 0.61 C ATOM 499 N7 DG A 16 -0.759 -0.216 2.492 1.00 0.59 N ATOM 500 C5 DG A 16 -1.472 -0.264 1.305 1.00 0.57 C ATOM 501 C6 DG A 16 -1.007 -0.233 -0.035 1.00 0.56 C ATOM 502 O6 DG A 16 0.155 -0.155 -0.427 1.00 0.57 O ATOM 503 N1 DG A 16 -2.057 -0.306 -0.955 1.00 0.56 N ATOM 504 C2 DG A 16 -3.395 -0.393 -0.619 1.00 0.59 C ATOM 505 N2 DG A 16 -4.273 -0.453 -1.642 1.00 0.63 N ATOM 506 N3 DG A 16 -3.840 -0.421 0.639 1.00 0.60 N ATOM 507 C4 DG A 16 -2.828 -0.354 1.545 1.00 0.58 C ATOM 0 H5' DG A 16 -4.824 1.109 7.419 1.00 0.82 H new ATOM 0 H5'' DG A 16 -5.043 -0.530 7.998 1.00 0.82 H new ATOM 0 H4' DG A 16 -5.979 -0.046 5.802 1.00 0.73 H new ATOM 0 H3' DG A 16 -4.112 -2.367 6.206 1.00 0.72 H new ATOM 0 H2' DG A 16 -3.665 -2.601 3.909 1.00 0.65 H new ATOM 0 H2'' DG A 16 -5.352 -2.336 3.515 1.00 0.65 H new ATOM 0 H1' DG A 16 -4.992 -0.144 3.036 1.00 0.63 H new ATOM 0 H8 DG A 16 -1.449 -0.269 4.475 1.00 0.61 H new ATOM 0 H1 DG A 16 -1.818 -0.294 -1.947 1.00 0.56 H new ATOM 0 H21 DG A 16 -5.273 -0.518 -1.453 1.00 0.63 H new ATOM 0 H22 DG A 16 -3.936 -0.433 -2.605 1.00 0.63 H new ATOM 519 P DG A 17 -6.369 -4.043 5.456 1.00 0.84 P ATOM 520 OP1 DG A 17 -7.446 -4.591 6.321 1.00 0.96 O ATOM 521 OP2 DG A 17 -5.066 -4.755 5.451 1.00 0.92 O ATOM 522 O5' DG A 17 -6.916 -3.942 3.956 1.00 0.78 O ATOM 523 C5' DG A 17 -7.964 -3.039 3.620 1.00 0.70 C ATOM 524 C4' DG A 17 -8.169 -2.937 2.120 1.00 0.57 C ATOM 525 O4' DG A 17 -6.921 -2.581 1.478 1.00 0.51 O ATOM 526 C3' DG A 17 -8.639 -4.221 1.435 1.00 0.62 C ATOM 527 O3' DG A 17 -9.657 -3.908 0.469 1.00 0.75 O ATOM 528 C2' DG A 17 -7.395 -4.743 0.748 1.00 0.58 C ATOM 529 C1' DG A 17 -6.670 -3.464 0.400 1.00 0.48 C ATOM 530 N9 DG A 17 -5.224 -3.625 0.266 1.00 0.49 N ATOM 531 C8 DG A 17 -4.332 -3.772 1.290 1.00 0.52 C ATOM 532 N7 DG A 17 -3.100 -3.878 0.885 1.00 0.53 N ATOM 533 C5 DG A 17 -3.181 -3.805 -0.492 1.00 0.49 C ATOM 534 C6 DG A 17 -2.154 -3.867 -1.473 1.00 0.50 C ATOM 535 O6 DG A 17 -0.939 -3.993 -1.292 1.00 0.53 O ATOM 536 N1 DG A 17 -2.669 -3.758 -2.769 1.00 0.48 N ATOM 537 C2 DG A 17 -4.011 -3.609 -3.073 1.00 0.49 C ATOM 538 N2 DG A 17 -4.330 -3.539 -4.375 1.00 0.53 N ATOM 539 N3 DG A 17 -4.977 -3.545 -2.158 1.00 0.48 N ATOM 540 C4 DG A 17 -4.493 -3.650 -0.896 1.00 0.47 C ATOM 0 H5' DG A 17 -7.735 -2.052 4.022 1.00 0.70 H new ATOM 0 H5'' DG A 17 -8.890 -3.368 4.091 1.00 0.70 H new ATOM 0 H4' DG A 17 -8.952 -2.187 2.010 1.00 0.57 H new ATOM 0 H3' DG A 17 -9.068 -4.947 2.126 1.00 0.62 H new ATOM 0 H2' DG A 17 -6.804 -5.382 1.404 1.00 0.58 H new ATOM 0 H2'' DG A 17 -7.634 -5.331 -0.138 1.00 0.58 H new ATOM 0 H1' DG A 17 -7.027 -3.106 -0.566 1.00 0.48 H new ATOM 0 H8 DG A 17 -4.620 -3.798 2.331 1.00 0.52 H new ATOM 0 H1 DG A 17 -2.008 -3.791 -3.545 1.00 0.48 H new ATOM 0 H21 DG A 17 -5.304 -3.429 -4.656 1.00 0.53 H new ATOM 0 H22 DG A 17 -3.598 -3.596 -5.083 1.00 0.53 H new ATOM 552 P DT A 18 -10.801 -4.975 0.093 1.00 1.04 P ATOM 553 OP1 DT A 18 -11.103 -5.811 1.283 1.00 1.42 O ATOM 554 OP2 DT A 18 -10.407 -5.674 -1.157 1.00 1.52 O ATOM 555 O5' DT A 18 -12.052 -4.030 -0.214 1.00 1.08 O ATOM 556 C5' DT A 18 -12.445 -2.994 0.683 1.00 1.03 C ATOM 557 C4' DT A 18 -13.327 -3.547 1.780 1.00 1.14 C ATOM 558 O4' DT A 18 -12.521 -3.802 2.968 1.00 0.99 O ATOM 559 C3' DT A 18 -14.450 -2.614 2.248 1.00 1.27 C ATOM 560 O3' DT A 18 -15.614 -3.411 2.577 1.00 1.59 O ATOM 561 C2' DT A 18 -13.832 -1.971 3.483 1.00 1.04 C ATOM 562 C1' DT A 18 -13.129 -3.168 4.076 1.00 0.99 C ATOM 563 N1 DT A 18 -12.096 -2.876 5.085 1.00 0.87 N ATOM 564 C2 DT A 18 -12.118 -3.604 6.267 1.00 1.24 C ATOM 565 O2 DT A 18 -12.945 -4.471 6.499 1.00 1.59 O ATOM 566 N3 DT A 18 -11.128 -3.276 7.170 1.00 1.33 N ATOM 567 C4 DT A 18 -10.144 -2.314 7.010 1.00 1.17 C ATOM 568 O4 DT A 18 -9.322 -2.127 7.902 1.00 1.45 O ATOM 569 C5 DT A 18 -10.181 -1.591 5.747 1.00 0.84 C ATOM 570 C7 DT A 18 -9.159 -0.533 5.491 1.00 1.00 C ATOM 571 C6 DT A 18 -11.141 -1.902 4.856 1.00 0.65 C ATOM 0 H5' DT A 18 -12.979 -2.216 0.137 1.00 1.03 H new ATOM 0 H5'' DT A 18 -11.561 -2.528 1.119 1.00 1.03 H new ATOM 0 H4' DT A 18 -13.777 -4.437 1.340 1.00 1.14 H new ATOM 0 H3' DT A 18 -14.784 -1.878 1.516 1.00 1.27 H new ATOM 0 H2' DT A 18 -13.143 -1.165 3.233 1.00 1.04 H new ATOM 0 H2'' DT A 18 -14.582 -1.553 4.155 1.00 1.04 H new ATOM 0 H1' DT A 18 -13.862 -3.766 4.617 1.00 0.99 H new ATOM 0 H3 DT A 18 -11.120 -3.796 8.047 1.00 1.33 H new ATOM 0 H71 DT A 18 -8.961 -0.469 4.421 1.00 1.00 H new ATOM 0 H72 DT A 18 -9.531 0.427 5.849 1.00 1.00 H new ATOM 0 H73 DT A 18 -8.237 -0.783 6.016 1.00 1.00 H new ATOM 0 H6 DT A 18 -11.167 -1.366 3.919 1.00 0.65 H new ATOM 584 P DT A 19 -16.903 -2.796 3.331 1.00 1.89 P ATOM 585 OP1 DT A 19 -16.571 -2.571 4.763 1.00 2.40 O ATOM 586 OP2 DT A 19 -18.076 -3.657 3.033 1.00 2.20 O ATOM 587 O5' DT A 19 -17.104 -1.391 2.609 1.00 1.58 O ATOM 588 C5' DT A 19 -17.471 -0.222 3.335 1.00 1.82 C ATOM 589 C4' DT A 19 -17.177 1.016 2.518 1.00 1.95 C ATOM 590 O4' DT A 19 -16.236 1.850 3.248 1.00 1.77 O ATOM 591 C3' DT A 19 -16.518 0.732 1.164 1.00 2.00 C ATOM 592 O3' DT A 19 -17.037 1.601 0.144 1.00 2.64 O ATOM 593 C2' DT A 19 -15.060 1.036 1.430 1.00 1.73 C ATOM 594 C1' DT A 19 -15.154 2.191 2.400 1.00 1.80 C ATOM 595 N1 DT A 19 -13.941 2.400 3.220 1.00 1.67 N ATOM 596 C2 DT A 19 -14.013 3.239 4.330 1.00 2.03 C ATOM 597 O2 DT A 19 -15.034 3.808 4.678 1.00 2.36 O ATOM 598 N3 DT A 19 -12.826 3.390 5.018 1.00 2.11 N ATOM 599 C4 DT A 19 -11.605 2.803 4.713 1.00 1.83 C ATOM 600 O4 DT A 19 -10.626 3.029 5.418 1.00 2.04 O ATOM 601 C5 DT A 19 -11.605 1.943 3.540 1.00 1.37 C ATOM 602 C7 DT A 19 -10.336 1.273 3.123 1.00 1.09 C ATOM 603 C6 DT A 19 -12.751 1.784 2.862 1.00 1.34 C ATOM 0 H5' DT A 19 -16.923 -0.183 4.277 1.00 1.82 H new ATOM 0 H5'' DT A 19 -18.531 -0.258 3.584 1.00 1.82 H new ATOM 0 H4' DT A 19 -18.144 1.488 2.344 1.00 1.95 H new ATOM 0 H3' DT A 19 -16.695 -0.282 0.806 1.00 2.00 H new ATOM 0 H2' DT A 19 -14.537 0.182 1.861 1.00 1.73 H new ATOM 0 H2'' DT A 19 -14.527 1.310 0.519 1.00 1.73 H new ATOM 0 H1' DT A 19 -15.282 3.123 1.849 1.00 1.80 H new ATOM 0 H3 DT A 19 -12.848 3.997 5.837 1.00 2.11 H new ATOM 0 H71 DT A 19 -10.568 0.327 2.634 1.00 1.09 H new ATOM 0 H72 DT A 19 -9.795 1.917 2.430 1.00 1.09 H new ATOM 0 H73 DT A 19 -9.718 1.085 4.001 1.00 1.09 H new ATOM 0 H6 DT A 19 -12.747 1.143 1.993 1.00 1.34 H new ATOM 616 P DA A 20 -16.807 1.237 -1.410 1.00 3.05 P ATOM 617 OP1 DA A 20 -17.402 2.309 -2.248 1.00 3.84 O ATOM 618 OP2 DA A 20 -17.269 -0.154 -1.647 1.00 3.32 O ATOM 619 O5' DA A 20 -15.216 1.297 -1.550 1.00 2.46 O ATOM 620 C5' DA A 20 -14.433 0.129 -1.817 1.00 1.94 C ATOM 621 C4' DA A 20 -13.078 0.484 -2.419 1.00 1.64 C ATOM 622 O4' DA A 20 -13.135 1.796 -3.050 1.00 2.01 O ATOM 623 C3' DA A 20 -11.924 0.585 -1.421 1.00 1.03 C ATOM 624 O3' DA A 20 -10.673 0.287 -2.077 1.00 0.85 O ATOM 625 C2' DA A 20 -11.984 2.044 -1.017 1.00 1.31 C ATOM 626 C1' DA A 20 -12.304 2.712 -2.342 1.00 1.82 C ATOM 627 N9 DA A 20 -13.016 3.993 -2.219 1.00 2.40 N ATOM 628 C8 DA A 20 -14.232 4.226 -1.625 1.00 2.61 C ATOM 629 N7 DA A 20 -14.605 5.483 -1.655 1.00 3.23 N ATOM 630 C5 DA A 20 -13.564 6.125 -2.314 1.00 3.53 C ATOM 631 C6 DA A 20 -13.348 7.479 -2.670 1.00 4.32 C ATOM 632 N6 DA A 20 -14.205 8.465 -2.395 1.00 4.87 N ATOM 633 N1 DA A 20 -12.199 7.785 -3.326 1.00 4.55 N ATOM 634 C2 DA A 20 -11.333 6.791 -3.602 1.00 4.02 C ATOM 635 N3 DA A 20 -11.425 5.486 -3.321 1.00 3.23 N ATOM 636 C4 DA A 20 -12.577 5.214 -2.668 1.00 3.03 C ATOM 0 H5' DA A 20 -14.975 -0.524 -2.501 1.00 1.94 H new ATOM 0 H5'' DA A 20 -14.285 -0.429 -0.893 1.00 1.94 H new ATOM 0 H4' DA A 20 -12.884 -0.338 -3.108 1.00 1.64 H new ATOM 0 H3' DA A 20 -11.996 -0.105 -0.581 1.00 1.03 H new ATOM 0 H2' DA A 20 -12.753 2.231 -0.267 1.00 1.31 H new ATOM 0 H2'' DA A 20 -11.040 2.393 -0.599 1.00 1.31 H new ATOM 0 H1' DA A 20 -11.366 2.944 -2.846 1.00 1.82 H new ATOM 0 H8 DA A 20 -14.827 3.445 -1.174 1.00 2.61 H new ATOM 0 H61 DA A 20 -13.991 9.421 -2.679 1.00 4.87 H new ATOM 0 H62 DA A 20 -15.074 8.262 -1.901 1.00 4.87 H new ATOM 0 H2 DA A 20 -10.436 7.090 -4.125 1.00 4.02 H new ATOM 648 P DG A 21 -9.343 -0.038 -1.224 1.00 0.71 P ATOM 649 OP1 DG A 21 -9.017 -1.479 -1.372 1.00 0.91 O ATOM 650 OP2 DG A 21 -9.510 0.486 0.153 1.00 1.25 O ATOM 651 O5' DG A 21 -8.223 0.822 -1.977 1.00 1.09 O ATOM 652 C5' DG A 21 -8.322 2.243 -2.123 1.00 0.82 C ATOM 653 C4' DG A 21 -8.535 2.631 -3.576 1.00 0.72 C ATOM 654 O4' DG A 21 -7.396 3.416 -4.036 1.00 0.66 O ATOM 655 C3' DG A 21 -8.631 1.454 -4.546 1.00 0.79 C ATOM 656 O3' DG A 21 -9.499 1.763 -5.650 1.00 0.98 O ATOM 657 C2' DG A 21 -7.202 1.310 -5.015 1.00 0.64 C ATOM 658 C1' DG A 21 -6.766 2.753 -5.124 1.00 0.60 C ATOM 659 N9 DG A 21 -5.306 2.950 -5.029 1.00 0.53 N ATOM 660 C8 DG A 21 -4.423 3.105 -6.076 1.00 0.53 C ATOM 661 N7 DG A 21 -3.187 3.188 -5.695 1.00 0.55 N ATOM 662 C5 DG A 21 -3.234 3.088 -4.326 1.00 0.55 C ATOM 663 C6 DG A 21 -2.178 3.119 -3.382 1.00 0.61 C ATOM 664 O6 DG A 21 -0.968 3.237 -3.603 1.00 0.68 O ATOM 665 N1 DG A 21 -2.652 2.992 -2.072 1.00 0.63 N ATOM 666 C2 DG A 21 -3.985 2.854 -1.727 1.00 0.61 C ATOM 667 N2 DG A 21 -4.265 2.777 -0.419 1.00 0.68 N ATOM 668 N3 DG A 21 -4.978 2.819 -2.611 1.00 0.56 N ATOM 669 C4 DG A 21 -4.535 2.943 -3.886 1.00 0.53 C ATOM 0 H5' DG A 21 -7.414 2.714 -1.747 1.00 0.82 H new ATOM 0 H5'' DG A 21 -9.149 2.617 -1.519 1.00 0.82 H new ATOM 0 H4' DG A 21 -9.483 3.169 -3.583 1.00 0.72 H new ATOM 0 H3' DG A 21 -9.042 0.551 -4.096 1.00 0.79 H new ATOM 0 H2' DG A 21 -6.593 0.751 -4.305 1.00 0.64 H new ATOM 0 H2'' DG A 21 -7.136 0.789 -5.970 1.00 0.64 H new ATOM 0 H1' DG A 21 -7.046 3.139 -6.104 1.00 0.60 H new ATOM 0 H8 DG A 21 -4.730 3.153 -7.110 1.00 0.53 H new ATOM 0 H1 DG A 21 -1.966 3.002 -1.317 1.00 0.63 H new ATOM 0 H21 DG A 21 -5.232 2.675 -0.110 1.00 0.68 H new ATOM 0 H22 DG A 21 -3.512 2.821 0.267 1.00 0.68 H new ATOM 681 P DG A 22 -10.118 0.574 -6.547 1.00 1.24 P ATOM 682 OP1 DG A 22 -11.061 1.156 -7.536 1.00 1.47 O ATOM 683 OP2 DG A 22 -10.639 -0.483 -5.644 1.00 1.60 O ATOM 684 O5' DG A 22 -8.837 0.013 -7.321 1.00 0.97 O ATOM 685 C5' DG A 22 -8.372 0.626 -8.520 1.00 0.99 C ATOM 686 C4' DG A 22 -7.039 0.050 -8.958 1.00 0.81 C ATOM 687 O4' DG A 22 -6.030 0.367 -7.991 1.00 0.68 O ATOM 688 C3' DG A 22 -6.991 -1.474 -9.113 1.00 0.76 C ATOM 689 O3' DG A 22 -6.912 -1.816 -10.510 1.00 0.81 O ATOM 690 C2' DG A 22 -5.715 -1.899 -8.377 1.00 0.66 C ATOM 691 C1' DG A 22 -5.003 -0.586 -8.106 1.00 0.60 C ATOM 692 N9 DG A 22 -4.231 -0.568 -6.869 1.00 0.55 N ATOM 693 C8 DG A 22 -4.748 -0.606 -5.611 1.00 0.55 C ATOM 694 N7 DG A 22 -3.839 -0.549 -4.671 1.00 0.49 N ATOM 695 C5 DG A 22 -2.644 -0.476 -5.371 1.00 0.46 C ATOM 696 C6 DG A 22 -1.307 -0.399 -4.894 1.00 0.44 C ATOM 697 O6 DG A 22 -0.922 -0.376 -3.726 1.00 0.44 O ATOM 698 N1 DG A 22 -0.382 -0.344 -5.943 1.00 0.47 N ATOM 699 C2 DG A 22 -0.714 -0.363 -7.286 1.00 0.49 C ATOM 700 N2 DG A 22 0.302 -0.313 -8.160 1.00 0.53 N ATOM 701 N3 DG A 22 -1.963 -0.433 -7.739 1.00 0.52 N ATOM 702 C4 DG A 22 -2.870 -0.488 -6.734 1.00 0.50 C ATOM 0 H5' DG A 22 -8.272 1.700 -8.366 1.00 0.99 H new ATOM 0 H5'' DG A 22 -9.108 0.485 -9.311 1.00 0.99 H new ATOM 0 H4' DG A 22 -6.876 0.497 -9.939 1.00 0.81 H new ATOM 0 H3' DG A 22 -7.875 -1.970 -8.712 1.00 0.76 H new ATOM 0 H2' DG A 22 -5.944 -2.429 -7.452 1.00 0.66 H new ATOM 0 H2'' DG A 22 -5.105 -2.567 -8.985 1.00 0.66 H new ATOM 0 H1' DG A 22 -4.288 -0.400 -8.908 1.00 0.60 H new ATOM 0 H8 DG A 22 -5.806 -0.676 -5.408 1.00 0.55 H new ATOM 0 H1 DG A 22 0.607 -0.286 -5.700 1.00 0.47 H new ATOM 0 H21 DG A 22 0.113 -0.324 -9.162 1.00 0.53 H new ATOM 0 H22 DG A 22 1.263 -0.264 -7.822 1.00 0.53 H new ATOM 714 P DG A 23 -6.888 -3.358 -10.979 1.00 0.85 P ATOM 715 OP1 DG A 23 -7.456 -3.455 -12.348 1.00 0.97 O ATOM 716 OP2 DG A 23 -7.506 -4.193 -9.918 1.00 1.01 O ATOM 717 O5' DG A 23 -5.324 -3.672 -11.043 1.00 0.75 O ATOM 718 C5' DG A 23 -4.495 -3.108 -12.056 1.00 0.69 C ATOM 719 C4' DG A 23 -3.131 -3.766 -12.073 1.00 0.66 C ATOM 720 O4' DG A 23 -2.370 -3.325 -10.917 1.00 0.62 O ATOM 721 C3' DG A 23 -3.155 -5.296 -12.004 1.00 0.75 C ATOM 722 O3' DG A 23 -2.206 -5.851 -12.934 1.00 0.86 O ATOM 723 C2' DG A 23 -2.750 -5.598 -10.571 1.00 0.71 C ATOM 724 C1' DG A 23 -1.824 -4.444 -10.245 1.00 0.60 C ATOM 725 N9 DG A 23 -1.739 -4.134 -8.813 1.00 0.54 N ATOM 726 C8 DG A 23 -2.792 -4.028 -7.938 1.00 0.57 C ATOM 727 N7 DG A 23 -2.421 -3.784 -6.714 1.00 0.51 N ATOM 728 C5 DG A 23 -1.040 -3.726 -6.778 1.00 0.45 C ATOM 729 C6 DG A 23 -0.087 -3.495 -5.748 1.00 0.42 C ATOM 730 O6 DG A 23 -0.298 -3.302 -4.548 1.00 0.42 O ATOM 731 N1 DG A 23 1.222 -3.520 -6.235 1.00 0.41 N ATOM 732 C2 DG A 23 1.571 -3.737 -7.552 1.00 0.43 C ATOM 733 N2 DG A 23 2.889 -3.718 -7.835 1.00 0.45 N ATOM 734 N3 DG A 23 0.686 -3.956 -8.527 1.00 0.46 N ATOM 735 C4 DG A 23 -0.596 -3.939 -8.070 1.00 0.47 C ATOM 0 H5' DG A 23 -4.384 -2.037 -11.885 1.00 0.69 H new ATOM 0 H5'' DG A 23 -4.972 -3.227 -13.029 1.00 0.69 H new ATOM 0 H4' DG A 23 -2.692 -3.474 -13.027 1.00 0.66 H new ATOM 0 H3' DG A 23 -4.124 -5.723 -12.264 1.00 0.75 H new ATOM 0 H2' DG A 23 -3.611 -5.629 -9.903 1.00 0.71 H new ATOM 0 H2'' DG A 23 -2.245 -6.560 -10.486 1.00 0.71 H new ATOM 0 H1' DG A 23 -0.811 -4.703 -10.553 1.00 0.60 H new ATOM 0 H8 DG A 23 -3.825 -4.136 -8.235 1.00 0.57 H new ATOM 0 H1 DG A 23 1.977 -3.366 -5.566 1.00 0.41 H new ATOM 0 H21 DG A 23 3.207 -3.872 -8.792 1.00 0.45 H new ATOM 0 H22 DG A 23 3.568 -3.549 -7.092 1.00 0.45 H new ATOM 747 P DT A 24 -2.152 -7.440 -13.196 1.00 0.97 P ATOM 748 OP1 DT A 24 -1.525 -7.690 -14.520 1.00 1.18 O ATOM 749 OP2 DT A 24 -3.499 -8.015 -12.954 1.00 1.09 O ATOM 750 O5' DT A 24 -1.159 -7.942 -12.052 1.00 0.84 O ATOM 751 C5' DT A 24 0.189 -7.485 -11.997 1.00 0.87 C ATOM 752 C4' DT A 24 0.833 -7.846 -10.675 1.00 0.76 C ATOM 753 O4' DT A 24 0.217 -7.112 -9.613 1.00 0.66 O ATOM 754 C3' DT A 24 0.701 -9.309 -10.259 1.00 0.73 C ATOM 755 O3' DT A 24 1.898 -10.025 -10.611 1.00 0.86 O ATOM 756 C2' DT A 24 0.522 -9.256 -8.735 1.00 0.62 C ATOM 757 C1' DT A 24 0.538 -7.766 -8.409 1.00 0.58 C ATOM 758 N1 DT A 24 -0.433 -7.359 -7.386 1.00 0.52 N ATOM 759 C2 DT A 24 0.040 -6.817 -6.201 1.00 0.47 C ATOM 760 O2 DT A 24 1.224 -6.659 -5.964 1.00 0.47 O ATOM 761 N3 DT A 24 -0.936 -6.469 -5.296 1.00 0.48 N ATOM 762 C4 DT A 24 -2.305 -6.611 -5.454 1.00 0.52 C ATOM 763 O4 DT A 24 -3.065 -6.260 -4.557 1.00 0.56 O ATOM 764 C5 DT A 24 -2.725 -7.187 -6.717 1.00 0.56 C ATOM 765 C7 DT A 24 -4.179 -7.379 -6.972 1.00 0.65 C ATOM 766 C6 DT A 24 -1.786 -7.528 -7.612 1.00 0.57 C ATOM 0 H5' DT A 24 0.216 -6.404 -12.135 1.00 0.87 H new ATOM 0 H5'' DT A 24 0.759 -7.925 -12.815 1.00 0.87 H new ATOM 0 H4' DT A 24 1.886 -7.615 -10.834 1.00 0.76 H new ATOM 0 H3' DT A 24 -0.127 -9.820 -10.750 1.00 0.73 H new ATOM 0 H2' DT A 24 -0.415 -9.721 -8.427 1.00 0.62 H new ATOM 0 H2'' DT A 24 1.324 -9.785 -8.221 1.00 0.62 H new ATOM 0 H1' DT A 24 1.517 -7.511 -8.004 1.00 0.58 H new ATOM 0 H3 DT A 24 -0.618 -6.064 -4.416 1.00 0.48 H new ATOM 0 H71 DT A 24 -4.694 -7.556 -6.028 1.00 0.65 H new ATOM 0 H72 DT A 24 -4.586 -6.486 -7.446 1.00 0.65 H new ATOM 0 H73 DT A 24 -4.323 -8.236 -7.630 1.00 0.65 H new ATOM 0 H6 DT A 24 -2.102 -7.954 -8.553 1.00 0.57 H new ATOM 779 P DT A 25 2.043 -11.596 -10.275 1.00 0.89 P ATOM 780 OP1 DT A 25 2.997 -12.208 -11.235 1.00 1.11 O ATOM 781 OP2 DT A 25 0.688 -12.196 -10.177 1.00 0.90 O ATOM 782 O5' DT A 25 2.710 -11.575 -8.826 1.00 0.77 O ATOM 783 C5' DT A 25 3.899 -10.832 -8.569 1.00 0.80 C ATOM 784 C4' DT A 25 4.527 -11.249 -7.256 1.00 0.76 C ATOM 785 O4' DT A 25 3.731 -10.732 -6.166 1.00 0.65 O ATOM 786 C3' DT A 25 4.623 -12.759 -7.041 1.00 0.83 C ATOM 787 O3' DT A 25 5.889 -13.111 -6.476 1.00 1.03 O ATOM 788 C2' DT A 25 3.494 -13.079 -6.077 1.00 0.72 C ATOM 789 C1' DT A 25 3.283 -11.777 -5.320 1.00 0.65 C ATOM 790 N1 DT A 25 1.878 -11.516 -4.974 1.00 0.61 N ATOM 791 C2 DT A 25 1.566 -11.182 -3.664 1.00 0.78 C ATOM 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DT A 25 -1.126 -12.238 -7.514 1.00 0.81 H new ATOM 0 H6 DT A 25 1.198 -11.871 -6.953 1.00 0.57 H new TER 812 DT A 25