USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 232 hydrogens (0 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 9 DT C7 :methyl 150:sc= -0.94 (180deg=-0.768) USER MOD Set 1.2: B 9 DT C7 :methyl -30:sc= -0.259 (180deg=-0.0865) USER MOD Set 2.1: A 4 DT C7 :methyl -30:sc= -0.274 (180deg=-0.462) USER MOD Set 2.2: B 4 DT C7 :methyl -30:sc= -0.372 (180deg=-0.34) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 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 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 6.756 -5.845 11.003 1.00 0.00 P ATOM 2 OP1 DT A 1 7.808 -4.930 10.474 1.00 0.00 O ATOM 3 OP2 DT A 1 6.690 -6.143 12.452 1.00 0.00 O ATOM 4 O5' DT A 1 5.299 -5.260 10.605 1.00 0.00 O ATOM 5 C5' DT A 1 5.078 -3.886 10.304 1.00 0.00 C ATOM 6 C4' DT A 1 4.887 -3.638 8.807 1.00 0.00 C ATOM 7 O4' DT A 1 3.633 -4.184 8.460 1.00 0.00 O ATOM 8 C3' DT A 1 4.710 -2.201 8.392 1.00 0.00 C ATOM 9 O3' DT A 1 5.984 -1.656 8.151 1.00 0.00 O ATOM 10 C2' DT A 1 3.854 -2.306 7.119 1.00 0.00 C ATOM 11 C1' DT A 1 3.131 -3.647 7.261 1.00 0.00 C ATOM 12 N1 DT A 1 1.674 -3.567 7.516 1.00 0.00 N ATOM 13 C2 DT A 1 0.784 -4.165 6.615 1.00 0.00 C ATOM 14 O2 DT A 1 1.094 -4.579 5.499 1.00 0.00 O ATOM 15 N3 DT A 1 -0.536 -4.234 7.020 1.00 0.00 N ATOM 16 C4 DT A 1 -1.053 -3.734 8.199 1.00 0.00 C ATOM 17 O4 DT A 1 -2.263 -3.820 8.392 1.00 0.00 O ATOM 18 C5 DT A 1 -0.067 -3.126 9.090 1.00 0.00 C ATOM 19 C7 DT A 1 -0.473 -2.520 10.423 1.00 0.00 C ATOM 20 C6 DT A 1 1.237 -3.062 8.722 1.00 0.00 C ATOM 0 H5' DT A 1 5.924 -3.298 10.661 1.00 0.00 H new ATOM 0 H5'' DT A 1 4.197 -3.537 10.842 1.00 0.00 H new ATOM 0 H4' DT A 1 5.783 -4.050 8.342 1.00 0.00 H new ATOM 0 H3' DT A 1 4.235 -1.554 9.129 1.00 0.00 H new ATOM 0 H2' DT A 1 3.148 -1.479 7.045 1.00 0.00 H new ATOM 0 H2'' DT A 1 4.471 -2.280 6.221 1.00 0.00 H new ATOM 0 H1' DT A 1 3.285 -4.194 6.331 1.00 0.00 H new ATOM 0 H3 DT A 1 -1.189 -4.698 6.389 1.00 0.00 H new ATOM 0 H71 DT A 1 0.351 -2.612 11.130 1.00 0.00 H new ATOM 0 H72 DT A 1 -0.717 -1.467 10.285 1.00 0.00 H new ATOM 0 H73 DT A 1 -1.345 -3.046 10.811 1.00 0.00 H new ATOM 0 H6 DT A 1 1.951 -2.604 9.391 1.00 0.00 H new ATOM 33 P DC A 2 6.169 -0.100 7.864 1.00 0.00 P ATOM 34 OP1 DC A 2 7.618 0.193 7.947 1.00 0.00 O ATOM 35 OP2 DC A 2 5.197 0.654 8.698 1.00 0.00 O ATOM 36 O5' DC A 2 5.696 0.028 6.329 1.00 0.00 O ATOM 37 C5' DC A 2 6.510 -0.400 5.239 1.00 0.00 C ATOM 38 C4' DC A 2 6.257 0.471 4.005 1.00 0.00 C ATOM 39 O4' DC A 2 4.950 0.250 3.509 1.00 0.00 O ATOM 40 C3' DC A 2 6.387 1.967 4.342 1.00 0.00 C ATOM 41 O3' DC A 2 7.638 2.619 4.071 1.00 0.00 O ATOM 42 C2' DC A 2 5.150 2.582 3.700 1.00 0.00 C ATOM 43 C1' DC A 2 4.471 1.441 2.918 1.00 0.00 C ATOM 44 N1 DC A 2 2.994 1.438 3.051 1.00 0.00 N ATOM 45 C2 DC A 2 2.166 1.510 1.916 1.00 0.00 C ATOM 46 O2 DC A 2 2.622 1.538 0.766 1.00 0.00 O ATOM 47 N3 DC A 2 0.829 1.575 2.100 1.00 0.00 N ATOM 48 C4 DC A 2 0.304 1.532 3.305 1.00 0.00 C ATOM 49 N4 DC A 2 -1.000 1.615 3.398 1.00 0.00 N ATOM 50 C5 DC A 2 1.096 1.426 4.483 1.00 0.00 C ATOM 51 C6 DC A 2 2.437 1.363 4.306 1.00 0.00 C ATOM 0 H5' DC A 2 6.296 -1.443 5.005 1.00 0.00 H new ATOM 0 H5'' DC A 2 7.562 -0.346 5.520 1.00 0.00 H new ATOM 0 H4' DC A 2 7.003 0.197 3.259 1.00 0.00 H new ATOM 0 H3' DC A 2 6.420 2.116 5.421 1.00 0.00 H new ATOM 0 H2' DC A 2 4.480 2.991 4.456 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.421 3.403 3.037 1.00 0.00 H new ATOM 0 H1' DC A 2 4.697 1.550 1.857 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.449 1.586 4.313 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.566 1.709 2.555 1.00 0.00 H new ATOM 0 H5 DC A 2 0.651 1.397 5.466 1.00 0.00 H new ATOM 0 H6 DC A 2 3.081 1.252 5.166 1.00 0.00 H new ATOM 63 P DG A 3 8.398 2.759 2.641 1.00 0.00 P ATOM 64 OP1 DG A 3 8.548 1.407 2.052 1.00 0.00 O ATOM 65 OP2 DG A 3 9.622 3.559 2.865 1.00 0.00 O ATOM 66 O5' DG A 3 7.418 3.675 1.741 1.00 0.00 O ATOM 67 C5' DG A 3 6.738 3.172 0.602 1.00 0.00 C ATOM 68 C4' DG A 3 5.599 4.090 0.130 1.00 0.00 C ATOM 69 O4' DG A 3 4.440 3.985 0.927 1.00 0.00 O ATOM 70 C3' DG A 3 5.987 5.565 0.059 1.00 0.00 C ATOM 71 O3' DG A 3 6.338 5.793 -1.287 1.00 0.00 O ATOM 72 C2' DG A 3 4.737 6.316 0.515 1.00 0.00 C ATOM 73 C1' DG A 3 3.769 5.226 0.974 1.00 0.00 C ATOM 74 N9 DG A 3 3.331 5.397 2.372 1.00 0.00 N ATOM 75 C8 DG A 3 4.123 5.662 3.458 1.00 0.00 C ATOM 76 N7 DG A 3 3.513 5.574 4.604 1.00 0.00 N ATOM 77 C5 DG A 3 2.197 5.278 4.246 1.00 0.00 C ATOM 78 C6 DG A 3 1.042 5.055 5.059 1.00 0.00 C ATOM 79 O6 DG A 3 0.960 5.031 6.290 1.00 0.00 O ATOM 80 N1 DG A 3 -0.115 4.850 4.326 1.00 0.00 N ATOM 81 C2 DG A 3 -0.154 4.819 2.958 1.00 0.00 C ATOM 82 N2 DG A 3 -1.334 4.708 2.393 1.00 0.00 N ATOM 83 N3 DG A 3 0.916 4.968 2.169 1.00 0.00 N ATOM 84 C4 DG A 3 2.065 5.200 2.874 1.00 0.00 C ATOM 0 H5' DG A 3 6.332 2.187 0.833 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.451 3.039 -0.211 1.00 0.00 H new ATOM 0 H4' DG A 3 5.387 3.731 -0.877 1.00 0.00 H new ATOM 0 H3' DG A 3 6.825 5.883 0.680 1.00 0.00 H new ATOM 0 H2' DG A 3 4.966 7.008 1.325 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.312 6.905 -0.297 1.00 0.00 H new ATOM 0 H1' DG A 3 2.901 5.280 0.317 1.00 0.00 H new ATOM 0 H8 DG A 3 5.167 5.922 3.370 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.989 4.714 4.835 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.412 4.681 1.376 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.173 4.649 2.971 1.00 0.00 H new ATOM 96 P DT A 4 6.763 7.218 -1.881 1.00 0.00 P ATOM 97 OP1 DT A 4 8.111 7.047 -2.464 1.00 0.00 O ATOM 98 OP2 DT A 4 6.544 8.255 -0.853 1.00 0.00 O ATOM 99 O5' DT A 4 5.642 7.354 -3.034 1.00 0.00 O ATOM 100 C5' DT A 4 5.655 6.480 -4.157 1.00 0.00 C ATOM 101 C4' DT A 4 4.531 6.775 -5.154 1.00 0.00 C ATOM 102 O4' DT A 4 3.251 6.509 -4.589 1.00 0.00 O ATOM 103 C3' DT A 4 4.570 8.237 -5.612 1.00 0.00 C ATOM 104 O3' DT A 4 4.546 8.310 -7.025 1.00 0.00 O ATOM 105 C2' DT A 4 3.326 8.818 -4.959 1.00 0.00 C ATOM 106 C1' DT A 4 2.403 7.605 -4.875 1.00 0.00 C ATOM 107 N1 DT A 4 1.395 7.774 -3.799 1.00 0.00 N ATOM 108 C2 DT A 4 0.069 8.030 -4.161 1.00 0.00 C ATOM 109 O2 DT A 4 -0.313 8.096 -5.325 1.00 0.00 O ATOM 110 N3 DT A 4 -0.821 8.262 -3.132 1.00 0.00 N ATOM 111 C4 DT A 4 -0.507 8.311 -1.788 1.00 0.00 C ATOM 112 O4 DT A 4 -1.403 8.572 -0.990 1.00 0.00 O ATOM 113 C5 DT A 4 0.901 8.052 -1.483 1.00 0.00 C ATOM 114 C7 DT A 4 1.410 8.103 -0.058 1.00 0.00 C ATOM 115 C6 DT A 4 1.790 7.802 -2.478 1.00 0.00 C ATOM 0 H5' DT A 4 5.566 5.450 -3.811 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.616 6.563 -4.665 1.00 0.00 H new ATOM 0 H4' DT A 4 4.690 6.119 -6.010 1.00 0.00 H new ATOM 0 H3' DT A 4 5.471 8.782 -5.329 1.00 0.00 H new ATOM 0 H2' DT A 4 3.541 9.234 -3.975 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.890 9.619 -5.556 1.00 0.00 H new ATOM 0 H1' DT A 4 1.846 7.463 -5.801 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.797 8.410 -3.387 1.00 0.00 H new ATOM 0 H71 DT A 4 0.818 8.817 0.515 1.00 0.00 H new ATOM 0 H72 DT A 4 1.325 7.115 0.394 1.00 0.00 H new ATOM 0 H73 DT A 4 2.455 8.414 -0.056 1.00 0.00 H new ATOM 0 H6 DT A 4 2.826 7.622 -2.231 1.00 0.00 H new ATOM 128 P DT A 5 5.741 9.056 -7.780 1.00 0.00 P ATOM 129 OP1 DT A 5 5.648 10.458 -7.318 1.00 0.00 O ATOM 130 OP2 DT A 5 5.588 8.748 -9.219 1.00 0.00 O ATOM 131 O5' DT A 5 7.049 8.284 -7.102 1.00 0.00 O ATOM 132 C5' DT A 5 8.271 7.925 -7.749 1.00 0.00 C ATOM 133 C4' DT A 5 8.063 6.978 -8.946 1.00 0.00 C ATOM 134 O4' DT A 5 8.605 7.676 -10.045 1.00 0.00 O ATOM 135 C3' DT A 5 8.681 5.567 -8.941 1.00 0.00 C ATOM 136 O3' DT A 5 7.729 4.678 -9.497 1.00 0.00 O ATOM 137 C2' DT A 5 9.846 5.684 -9.913 1.00 0.00 C ATOM 138 C1' DT A 5 9.276 6.750 -10.850 1.00 0.00 C ATOM 139 N1 DT A 5 10.306 7.507 -11.579 1.00 0.00 N ATOM 140 C2 DT A 5 10.164 7.617 -12.958 1.00 0.00 C ATOM 141 O2 DT A 5 9.253 7.108 -13.602 1.00 0.00 O ATOM 142 N3 DT A 5 11.134 8.341 -13.611 1.00 0.00 N ATOM 143 C4 DT A 5 12.218 8.961 -13.020 1.00 0.00 C ATOM 144 O4 DT A 5 12.995 9.580 -13.738 1.00 0.00 O ATOM 145 C5 DT A 5 12.303 8.795 -11.569 1.00 0.00 C ATOM 146 C7 DT A 5 13.453 9.369 -10.761 1.00 0.00 C ATOM 147 C6 DT A 5 11.348 8.105 -10.904 1.00 0.00 C ATOM 0 H5' DT A 5 8.932 7.447 -7.026 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.774 8.830 -8.092 1.00 0.00 H new ATOM 0 H4' DT A 5 6.996 6.754 -8.947 1.00 0.00 H new ATOM 0 H3' DT A 5 8.975 5.218 -7.951 1.00 0.00 H new ATOM 0 H2' DT A 5 10.769 6.002 -9.427 1.00 0.00 H new ATOM 0 H2'' DT A 5 10.062 4.746 -10.425 1.00 0.00 H new ATOM 0 H1' DT A 5 8.649 6.243 -11.583 1.00 0.00 H new ATOM 0 H3 DT A 5 11.045 8.428 -14.623 1.00 0.00 H new ATOM 0 H71 DT A 5 13.106 9.614 -9.757 1.00 0.00 H new ATOM 0 H72 DT A 5 14.256 8.634 -10.698 1.00 0.00 H new ATOM 0 H73 DT A 5 13.824 10.271 -11.247 1.00 0.00 H new ATOM 0 H6 DT A 5 11.403 8.022 -9.829 1.00 0.00 H new ATOM 160 P DT A 6 7.786 3.088 -9.264 1.00 0.00 P ATOM 161 OP1 DT A 6 9.191 2.628 -9.309 1.00 0.00 O ATOM 162 OP2 DT A 6 6.770 2.474 -10.147 1.00 0.00 O ATOM 163 O5' DT A 6 7.263 2.971 -7.749 1.00 0.00 O ATOM 164 C5' DT A 6 6.589 1.809 -7.312 1.00 0.00 C ATOM 165 C4' DT A 6 6.255 1.885 -5.816 1.00 0.00 C ATOM 166 O4' DT A 6 5.454 3.029 -5.535 1.00 0.00 O ATOM 167 C3' DT A 6 5.417 0.662 -5.418 1.00 0.00 C ATOM 168 O3' DT A 6 5.604 0.306 -4.065 1.00 0.00 O ATOM 169 C2' DT A 6 3.996 1.160 -5.612 1.00 0.00 C ATOM 170 C1' DT A 6 4.131 2.627 -5.217 1.00 0.00 C ATOM 171 N1 DT A 6 3.135 3.454 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new ATOM 0 H6 DT A 6 4.395 3.750 -7.633 1.00 0.00 H new ATOM 192 P DC A 7 6.789 -0.693 -3.649 1.00 0.00 P ATOM 193 OP1 DC A 7 8.068 0.044 -3.675 1.00 0.00 O ATOM 194 OP2 DC A 7 6.651 -1.947 -4.419 1.00 0.00 O ATOM 195 O5' DC A 7 6.436 -1.042 -2.127 1.00 0.00 O ATOM 196 C5' DC A 7 6.814 -0.197 -1.055 1.00 0.00 C ATOM 197 C4' DC A 7 6.506 -0.820 0.313 1.00 0.00 C ATOM 198 O4' DC A 7 5.126 -0.816 0.629 1.00 0.00 O ATOM 199 C3' DC A 7 6.985 -2.263 0.391 1.00 0.00 C ATOM 200 O3' DC A 7 7.455 -2.483 1.709 1.00 0.00 O ATOM 201 C2' DC A 7 5.718 -3.035 0.033 1.00 0.00 C ATOM 202 C1' DC A 7 4.623 -2.141 0.631 1.00 0.00 C ATOM 203 N1 DC A 7 3.340 -2.066 -0.112 1.00 0.00 N ATOM 204 C2 DC A 7 2.151 -1.957 0.619 1.00 0.00 C ATOM 205 O2 DC A 7 2.137 -2.038 1.852 1.00 0.00 O ATOM 206 N3 DC A 7 0.992 -1.790 -0.057 1.00 0.00 N ATOM 207 C4 DC A 7 0.977 -1.621 -1.362 1.00 0.00 C ATOM 208 N4 DC A 7 -0.193 -1.495 -1.943 1.00 0.00 N ATOM 209 C5 DC A 7 2.164 -1.664 -2.143 1.00 0.00 C ATOM 210 C6 DC A 7 3.321 -1.898 -1.479 1.00 0.00 C ATOM 0 H5' DC A 7 6.291 0.755 -1.144 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.881 0.017 -1.123 1.00 0.00 H new ATOM 0 H4' DC A 7 7.039 -0.195 1.029 1.00 0.00 H new ATOM 0 H3' DC A 7 7.808 -2.553 -0.262 1.00 0.00 H new ATOM 0 H2' DC A 7 5.604 -3.155 -1.044 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.712 -4.034 0.468 1.00 0.00 H new ATOM 0 H1' DC A 7 4.400 -2.580 1.603 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.249 -1.362 -2.953 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.046 -1.530 -1.385 1.00 0.00 H new ATOM 0 H5 DC A 7 2.144 -1.517 -3.213 1.00 0.00 H new ATOM 0 H6 DC A 7 4.247 -1.954 -2.032 1.00 0.00 H new ATOM 222 P DG A 8 8.292 -3.791 2.080 1.00 0.00 P ATOM 223 OP1 DG A 8 8.896 -3.584 3.421 1.00 0.00 O ATOM 224 OP2 DG A 8 9.148 -4.108 0.911 1.00 0.00 O ATOM 225 O5' DG A 8 7.127 -4.891 2.193 1.00 0.00 O ATOM 226 C5' DG A 8 6.079 -4.781 3.151 1.00 0.00 C ATOM 227 C4' DG A 8 4.912 -5.740 2.863 1.00 0.00 C ATOM 228 O4' DG A 8 4.067 -5.234 1.843 1.00 0.00 O ATOM 229 C3' DG A 8 5.376 -7.143 2.458 1.00 0.00 C ATOM 230 O3' DG A 8 5.367 -8.010 3.572 1.00 0.00 O ATOM 231 C2' DG A 8 4.375 -7.565 1.387 1.00 0.00 C ATOM 232 C1' DG A 8 3.579 -6.302 1.053 1.00 0.00 C ATOM 233 N9 DG A 8 3.711 -5.913 -0.366 1.00 0.00 N ATOM 234 C8 DG A 8 4.822 -5.967 -1.167 1.00 0.00 C ATOM 235 N7 DG A 8 4.632 -5.535 -2.382 1.00 0.00 N ATOM 236 C5 DG A 8 3.277 -5.190 -2.400 1.00 0.00 C ATOM 237 C6 DG A 8 2.434 -4.683 -3.447 1.00 0.00 C ATOM 238 O6 DG A 8 2.705 -4.384 -4.607 1.00 0.00 O ATOM 239 N1 DG A 8 1.115 -4.543 -3.064 1.00 0.00 N ATOM 240 C2 DG A 8 0.655 -4.795 -1.808 1.00 0.00 C ATOM 241 N2 DG A 8 -0.606 -4.545 -1.566 1.00 0.00 N ATOM 242 N3 DG A 8 1.409 -5.230 -0.801 1.00 0.00 N ATOM 243 C4 DG A 8 2.709 -5.425 -1.164 1.00 0.00 C ATOM 0 H5' DG A 8 5.708 -3.756 3.162 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.477 -4.987 4.145 1.00 0.00 H new ATOM 0 H4' DG A 8 4.363 -5.816 3.802 1.00 0.00 H new ATOM 0 H3' DG A 8 6.400 -7.169 2.085 1.00 0.00 H new ATOM 0 H2' DG A 8 4.884 -7.953 0.505 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.720 -8.357 1.751 1.00 0.00 H new ATOM 0 H1' DG A 8 2.529 -6.514 1.255 1.00 0.00 H new ATOM 0 H8 DG A 8 5.776 -6.337 -0.820 1.00 0.00 H new ATOM 0 H1 DG A 8 0.444 -4.231 -3.766 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.992 -4.720 -0.638 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.204 -4.175 -2.305 1.00 0.00 H new ATOM 255 P DT A 9 6.047 -9.478 3.508 1.00 0.00 P ATOM 256 OP1 DT A 9 7.508 -9.257 3.499 1.00 0.00 O ATOM 257 OP2 DT A 9 5.428 -10.258 2.416 1.00 0.00 O ATOM 258 O5' DT A 9 5.670 -10.174 4.925 1.00 0.00 O ATOM 259 C5' DT A 9 4.355 -10.597 5.282 1.00 0.00 C ATOM 260 C4' DT A 9 3.339 -9.447 5.205 1.00 0.00 C ATOM 261 O4' DT A 9 2.895 -9.254 3.874 1.00 0.00 O ATOM 262 C3' DT A 9 2.066 -9.654 6.005 1.00 0.00 C ATOM 263 O3' DT A 9 2.372 -9.617 7.390 1.00 0.00 O ATOM 264 C2' DT A 9 1.192 -8.574 5.356 1.00 0.00 C ATOM 265 C1' DT A 9 1.606 -8.715 3.878 1.00 0.00 C ATOM 266 N1 DT A 9 0.642 -9.546 3.102 1.00 0.00 N ATOM 267 C2 DT A 9 0.810 -10.937 2.877 1.00 0.00 C ATOM 268 O2 DT A 9 1.719 -11.645 3.294 1.00 0.00 O ATOM 269 N3 DT A 9 -0.181 -11.569 2.151 1.00 0.00 N ATOM 270 C4 DT A 9 -1.330 -10.987 1.669 1.00 0.00 C ATOM 271 O4 DT A 9 -2.142 -11.680 1.068 1.00 0.00 O ATOM 272 C5 DT A 9 -1.441 -9.562 1.941 1.00 0.00 C ATOM 273 C7 DT A 9 -2.631 -8.785 1.439 1.00 0.00 C ATOM 274 C6 DT A 9 -0.477 -8.901 2.630 1.00 0.00 C ATOM 0 H5' DT A 9 4.367 -11.003 6.294 1.00 0.00 H new ATOM 0 H5'' DT A 9 4.041 -11.403 4.619 1.00 0.00 H new ATOM 0 H4' DT A 9 3.893 -8.602 5.614 1.00 0.00 H new ATOM 0 H3' DT A 9 1.534 -10.605 5.977 1.00 0.00 H new ATOM 0 H2' DT A 9 0.128 -8.758 5.506 1.00 0.00 H new ATOM 0 H2'' DT A 9 1.402 -7.580 5.751 1.00 0.00 H new ATOM 0 H1' DT A 9 1.598 -7.745 3.382 1.00 0.00 H new ATOM 0 H3 DT A 9 -0.048 -12.561 1.954 1.00 0.00 H new ATOM 0 H71 DT A 9 -2.839 -7.959 2.119 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.416 -8.392 0.445 1.00 0.00 H new ATOM 0 H73 DT A 9 -3.500 -9.442 1.389 1.00 0.00 H new ATOM 0 H6 DT A 9 -0.591 -7.843 2.812 1.00 0.00 H new ATOM 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1.00 0.00 H new ATOM 0 H1' DT B 4 -3.704 7.369 7.418 1.00 0.00 H new ATOM 0 H3 DT B 4 0.681 7.788 6.377 1.00 0.00 H new ATOM 0 H71 DT B 4 -0.388 9.527 2.160 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.340 8.084 1.735 1.00 0.00 H new ATOM 0 H73 DT B 4 -2.166 9.597 2.176 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.409 8.538 3.924 1.00 0.00 H new ATOM 447 P DT B 5 -7.726 9.486 8.516 1.00 0.00 P ATOM 448 OP1 DT B 5 -7.819 10.951 8.653 1.00 0.00 O ATOM 449 OP2 DT B 5 -8.242 8.570 9.565 1.00 0.00 O ATOM 450 O5' DT B 5 -8.203 9.021 7.035 1.00 0.00 O ATOM 451 C5' DT B 5 -9.422 8.886 6.370 1.00 0.00 C ATOM 452 C4' DT B 5 -10.324 7.976 7.149 1.00 0.00 C ATOM 453 O4' DT B 5 -11.480 8.753 7.217 1.00 0.00 O ATOM 454 C3' DT B 5 -10.645 6.573 6.622 1.00 0.00 C ATOM 455 O3' DT B 5 -10.583 5.704 7.738 1.00 0.00 O ATOM 456 C2' DT B 5 -12.081 6.753 6.166 1.00 0.00 C ATOM 457 C1' DT B 5 -12.519 7.851 7.142 1.00 0.00 C ATOM 458 N1 DT B 5 -13.683 8.664 6.783 1.00 0.00 N ATOM 459 C2 DT B 5 -14.430 9.149 7.852 1.00 0.00 C 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9.018 1.00 0.00 C ATOM 0 H5' DT B 6 -7.718 4.197 8.263 1.00 0.00 H new ATOM 0 H5'' DT B 6 -7.763 5.484 7.074 1.00 0.00 H new ATOM 0 H4' DT B 6 -6.993 3.768 5.345 1.00 0.00 H new ATOM 0 H3' DT B 6 -7.498 1.821 7.270 1.00 0.00 H new ATOM 0 H2' DT B 6 -5.617 2.551 8.742 1.00 0.00 H new ATOM 0 H2'' DT B 6 -4.872 1.290 7.779 1.00 0.00 H new ATOM 0 H1' DT B 6 -4.098 2.859 6.093 1.00 0.00 H new ATOM 0 H3 DT B 6 -0.196 4.345 7.508 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.865 5.669 11.242 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.813 4.381 11.877 1.00 0.00 H new ATOM 0 H73 DT B 6 -2.130 5.979 11.493 1.00 0.00 H new ATOM 0 H6 DT B 6 -4.623 4.385 9.423 1.00 0.00 H new ATOM 511 P DC B 7 -6.732 -0.108 5.596 1.00 0.00 P ATOM 512 OP1 DC B 7 -8.185 -0.197 5.841 1.00 0.00 O ATOM 513 OP2 DC B 7 -5.797 -0.953 6.377 1.00 0.00 O ATOM 514 O5' DC B 7 -6.473 -0.430 4.055 1.00 0.00 O ATOM 515 C5' DC B 7 -7.099 0.318 3.027 1.00 0.00 C ATOM 516 C4' DC B 7 -6.744 -0.271 1.666 1.00 0.00 C ATOM 517 O4' DC B 7 -5.340 -0.278 1.481 1.00 0.00 O ATOM 518 C3' DC B 7 -7.274 -1.696 1.503 1.00 0.00 C ATOM 519 O3' DC B 7 -7.912 -1.732 0.238 1.00 0.00 O ATOM 520 C2' DC B 7 -6.004 -2.536 1.627 1.00 0.00 C ATOM 521 C1' DC B 7 -4.898 -1.582 1.160 1.00 0.00 C ATOM 522 N1 DC B 7 -3.595 -1.766 1.842 1.00 0.00 N ATOM 523 C2 DC B 7 -2.408 -1.751 1.090 1.00 0.00 C ATOM 524 O2 DC B 7 -2.410 -1.731 -0.149 1.00 0.00 O ATOM 525 N3 DC B 7 -1.229 -1.786 1.749 1.00 0.00 N ATOM 526 C4 DC B 7 -1.183 -1.786 3.061 1.00 0.00 C ATOM 527 N4 DC B 7 0.003 -1.808 3.614 1.00 0.00 N ATOM 528 C5 DC B 7 -2.349 -1.821 3.871 1.00 0.00 C ATOM 529 C6 DC B 7 -3.536 -1.798 3.220 1.00 0.00 C ATOM 0 H5' DC B 7 -6.780 1.359 3.077 1.00 0.00 H new ATOM 0 H5'' DC B 7 -8.180 0.309 3.166 1.00 0.00 H new ATOM 0 H4' DC B 7 -7.217 0.361 0.914 1.00 0.00 H new ATOM 0 H3' DC B 7 -8.013 -2.058 2.218 1.00 0.00 H new ATOM 0 H2' DC B 7 -5.841 -2.869 2.652 1.00 0.00 H new ATOM 0 H2'' DC B 7 -6.052 -3.430 1.006 1.00 0.00 H new ATOM 0 H1' DC B 7 -4.732 -1.770 0.099 1.00 0.00 H new ATOM 0 H41 DC B 7 0.092 -1.809 4.630 1.00 0.00 H new ATOM 0 H42 DC B 7 0.838 -1.824 3.029 1.00 0.00 H new ATOM 0 H5 DC B 7 -2.292 -1.864 4.949 1.00 0.00 H new ATOM 0 H6 DC B 7 -4.453 -1.805 3.790 1.00 0.00 H new ATOM 541 P DG B 8 -8.681 -3.027 -0.312 1.00 0.00 P ATOM 542 OP1 DG B 8 -9.508 -2.623 -1.473 1.00 0.00 O ATOM 543 OP2 DG B 8 -9.274 -3.749 0.834 1.00 0.00 O ATOM 544 O5' DG B 8 -7.435 -3.867 -0.855 1.00 0.00 O ATOM 545 C5' DG B 8 -6.555 -3.342 -1.834 1.00 0.00 C ATOM 546 C4' DG B 8 -5.308 -4.221 -1.958 1.00 0.00 C ATOM 547 O4' DG B 8 -4.431 -4.090 -0.860 1.00 0.00 O ATOM 548 C3' DG B 8 -5.685 -5.697 -2.100 1.00 0.00 C ATOM 549 O3' DG B 8 -5.742 -5.968 -3.487 1.00 0.00 O ATOM 550 C2' DG B 8 -4.609 -6.431 -1.300 1.00 0.00 C ATOM 551 C1' DG B 8 -3.795 -5.326 -0.619 1.00 0.00 C ATOM 552 N9 DG B 8 -3.746 -5.455 0.851 1.00 0.00 N ATOM 553 C8 DG B 8 -4.791 -5.688 1.709 1.00 0.00 C ATOM 554 N7 DG B 8 -4.474 -5.638 2.974 1.00 0.00 N ATOM 555 C5 DG B 8 -3.099 -5.391 2.951 1.00 0.00 C ATOM 556 C6 DG B 8 -2.155 -5.272 4.021 1.00 0.00 C ATOM 557 O6 DG B 8 -2.361 -5.314 5.234 1.00 0.00 O ATOM 558 N1 DG B 8 -0.853 -5.090 3.585 1.00 0.00 N ATOM 559 C2 DG B 8 -0.499 -4.996 2.272 1.00 0.00 C ATOM 560 N2 DG B 8 0.777 -4.859 2.017 1.00 0.00 N ATOM 561 N3 DG B 8 -1.346 -5.121 1.247 1.00 0.00 N ATOM 562 C4 DG B 8 -2.641 -5.289 1.653 1.00 0.00 C ATOM 0 H5' DG B 8 -6.266 -2.326 -1.565 1.00 0.00 H new ATOM 0 H5'' DG B 8 -7.064 -3.284 -2.796 1.00 0.00 H new ATOM 0 H4' DG B 8 -4.794 -3.873 -2.854 1.00 0.00 H new ATOM 0 H3' DG B 8 -6.655 -6.009 -1.712 1.00 0.00 H new ATOM 0 H2' DG B 8 -5.053 -7.103 -0.566 1.00 0.00 H new ATOM 0 H2'' DG B 8 -3.981 -7.040 -1.950 1.00 0.00 H new ATOM 0 H1' DG B 8 -2.785 -5.398 -1.024 1.00 0.00 H new ATOM 0 H8 DG B 8 -5.794 -5.896 1.366 1.00 0.00 H new ATOM 0 H1 DG B 8 -0.116 -5.022 4.287 1.00 0.00 H new ATOM 0 H21 DG B 8 1.099 -4.784 1.052 1.00 0.00 H new ATOM 0 H22 DG B 8 1.450 -4.827 2.783 1.00 0.00 H new ATOM 574 P DT B 9 -5.909 -7.440 -4.125 1.00 0.00 P ATOM 575 OP1 DT B 9 -6.868 -7.392 -5.256 1.00 0.00 O ATOM 576 OP2 DT B 9 -6.094 -8.472 -3.080 1.00 0.00 O ATOM 577 O5' DT B 9 -4.420 -7.616 -4.701 1.00 0.00 O ATOM 578 C5' DT B 9 -3.931 -6.754 -5.720 1.00 0.00 C ATOM 579 C4' DT B 9 -2.533 -7.142 -6.208 1.00 0.00 C ATOM 580 O4' DT B 9 -1.534 -6.801 -5.263 1.00 0.00 O ATOM 581 C3' DT B 9 -2.376 -8.650 -6.493 1.00 0.00 C ATOM 582 O3' DT B 9 -2.497 -9.077 -7.850 1.00 0.00 O ATOM 583 C2' DT B 9 -1.018 -8.988 -5.884 1.00 0.00 C ATOM 584 C1' DT B 9 -0.421 -7.613 -5.576 1.00 0.00 C ATOM 585 N1 DT B 9 0.523 -7.705 -4.439 1.00 0.00 N ATOM 586 C2 DT B 9 1.890 -7.789 -4.723 1.00 0.00 C ATOM 587 O2 DT B 9 2.369 -7.602 -5.839 1.00 0.00 O ATOM 588 N3 DT B 9 2.710 -8.148 -3.672 1.00 0.00 N ATOM 589 C4 DT B 9 2.297 -8.456 -2.390 1.00 0.00 C ATOM 590 O4 DT B 9 3.139 -8.798 -1.570 1.00 0.00 O ATOM 591 C5 DT B 9 0.862 -8.312 -2.158 1.00 0.00 C ATOM 592 C7 DT B 9 0.258 -8.552 -0.788 1.00 0.00 C ATOM 593 C6 DT B 9 0.040 -7.933 -3.167 1.00 0.00 C ATOM 0 H5' DT B 9 -3.908 -5.731 -5.344 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.622 -6.768 -6.563 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.410 -6.582 -7.135 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.213 -9.194 -6.056 1.00 0.00 H new ATOM 0 H2' DT B 9 -1.120 -9.594 -4.983 1.00 0.00 H new ATOM 0 H2'' DT B 9 -0.394 -9.551 -6.578 1.00 0.00 H new ATOM 0 H1' DT B 9 0.150 -7.205 -6.410 1.00 0.00 H new ATOM 0 H3 DT B 9 3.712 -8.190 -3.859 1.00 0.00 H new ATOM 0 H71 DT B 9 0.852 -9.293 -0.253 1.00 0.00 H new ATOM 0 H72 DT B 9 0.250 -7.619 -0.225 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.763 -8.917 -0.899 1.00 0.00 H new ATOM 0 H6 DT B 9 -1.015 -7.807 -2.971 1.00 0.00 H new ATOM 606 P DT B 10 -1.710 -8.438 -9.119 1.00 0.00 P ATOM 607 OP1 DT B 10 -1.904 -9.333 -10.278 1.00 0.00 O ATOM 608 OP2 DT B 10 -0.336 -8.049 -8.714 1.00 0.00 O ATOM 609 O5' DT B 10 -2.586 -7.109 -9.369 1.00 0.00 O ATOM 610 C5' DT B 10 -3.922 -7.187 -9.849 1.00 0.00 C ATOM 611 C4' DT B 10 -4.506 -5.785 -10.085 1.00 0.00 C ATOM 612 O4' DT B 10 -3.627 -5.043 -10.915 1.00 0.00 O ATOM 613 C3' DT B 10 -5.847 -5.834 -10.843 1.00 0.00 C ATOM 614 O3' DT B 10 -6.631 -4.662 -10.697 1.00 0.00 O ATOM 615 C2' DT B 10 -5.395 -5.885 -12.293 1.00 0.00 C ATOM 616 C1' DT B 10 -4.130 -5.017 -12.237 1.00 0.00 C ATOM 617 N1 DT B 10 -3.040 -5.416 -13.166 1.00 0.00 N ATOM 618 C2 DT B 10 -2.334 -4.390 -13.804 1.00 0.00 C ATOM 619 O2 DT B 10 -2.574 -3.197 -13.659 1.00 0.00 O ATOM 620 N3 DT B 10 -1.320 -4.771 -14.655 1.00 0.00 N ATOM 621 C4 DT B 10 -0.951 -6.068 -14.947 1.00 0.00 C ATOM 622 O4 DT B 10 -0.023 -6.249 -15.726 1.00 0.00 O ATOM 623 C5 DT B 10 -1.734 -7.091 -14.257 1.00 0.00 C ATOM 624 C7 DT B 10 -1.470 -8.571 -14.467 1.00 0.00 C ATOM 625 C6 DT B 10 -2.713 -6.741 -13.387 1.00 0.00 C ATOM 0 H5' DT B 10 -4.539 -7.726 -9.130 1.00 0.00 H new ATOM 0 H5'' DT B 10 -3.945 -7.756 -10.779 1.00 0.00 H new ATOM 0 H4' DT B 10 -4.644 -5.337 -9.101 1.00 0.00 H new ATOM 0 H3' DT B 10 -6.462 -6.659 -10.484 1.00 0.00 H new ATOM 0 H2' DT B 10 -5.183 -6.902 -12.623 1.00 0.00 H new ATOM 0 H2'' DT B 10 -6.144 -5.479 -12.973 1.00 0.00 H new ATOM 0 H1' DT B 10 -4.439 -4.022 -12.556 1.00 0.00 H new ATOM 0 H3 DT B 10 -0.794 -4.026 -15.111 1.00 0.00 H new ATOM 0 H71 DT B 10 -1.726 -9.118 -13.560 1.00 0.00 H new ATOM 0 H72 DT B 10 -2.079 -8.935 -15.294 1.00 0.00 H new ATOM 0 H73 DT B 10 -0.416 -8.723 -14.698 1.00 0.00 H new ATOM 0 H6 DT B 10 -3.249 -7.513 -12.855 1.00 0.00 H new TER 638 DT B 10