USER MOD reduce.3.24.130724 H: found=0, std=0, add=178, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 178 hydrogens (38 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DA O5' : rot 68:sc= -1.38! USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.38 (180deg=-0.424) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0331 (180deg=-0.0331) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 11 DA O5' : rot 62:sc= -1.48! USER MOD Single : B 12 DT C7 :methyl -30:sc= -0.39 (180deg=-0.419) USER MOD Single : B 16 DT C7 :methyl 150:sc= -0.0352 (180deg=-0.0352) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 4.246 -11.608 -5.856 1.00 0.48 O ATOM 2 C5' DA A 1 4.719 -11.973 -7.155 1.00 0.48 C ATOM 3 C4' DA A 1 4.343 -10.929 -8.203 1.00 0.39 C ATOM 4 O4' DA A 1 2.908 -10.816 -8.318 1.00 0.36 O ATOM 5 C3' DA A 1 4.894 -9.563 -7.823 1.00 0.34 C ATOM 6 O3' DA A 1 5.636 -8.998 -8.911 1.00 0.32 O ATOM 7 C2' DA A 1 3.694 -8.718 -7.485 1.00 0.28 C ATOM 8 C1' DA A 1 2.464 -9.556 -7.777 1.00 0.29 C ATOM 9 N9 DA A 1 1.667 -9.774 -6.559 1.00 0.29 N ATOM 10 C8 DA A 1 2.055 -10.220 -5.343 1.00 0.35 C ATOM 11 N7 DA A 1 1.146 -10.353 -4.436 1.00 0.36 N ATOM 12 C5 DA A 1 0.003 -9.944 -5.128 1.00 0.29 C ATOM 13 C6 DA A 1 -1.339 -9.837 -4.758 1.00 0.29 C ATOM 14 N6 DA A 1 -1.789 -10.153 -3.545 1.00 0.33 N ATOM 15 N1 DA A 1 -2.201 -9.397 -5.689 1.00 0.30 N ATOM 16 C2 DA A 1 -1.776 -9.083 -6.914 1.00 0.29 C ATOM 17 N3 DA A 1 -0.533 -9.148 -7.371 1.00 0.27 N ATOM 18 C4 DA A 1 0.313 -9.589 -6.420 1.00 0.26 C ATOM 0 H5' DA A 1 4.301 -12.939 -7.437 1.00 0.48 H new ATOM 0 H5'' DA A 1 5.802 -12.090 -7.129 1.00 0.48 H new ATOM 0 H4' DA A 1 4.770 -11.253 -9.152 1.00 0.39 H new ATOM 0 H3' DA A 1 5.583 -9.625 -6.980 1.00 0.34 H new ATOM 0 H2' DA A 1 3.716 -8.418 -6.437 1.00 0.28 H new ATOM 0 H2'' DA A 1 3.687 -7.803 -8.078 1.00 0.28 H new ATOM 0 HO5' DA A 1 3.267 -11.653 -5.840 1.00 0.48 H new ATOM 0 H1' DA A 1 1.825 -9.036 -8.491 1.00 0.29 H new ATOM 0 H8 DA A 1 3.089 -10.457 -5.138 1.00 0.35 H new ATOM 0 H61 DA A 1 -2.781 -10.056 -3.328 1.00 0.33 H new ATOM 0 H62 DA A 1 -1.142 -10.492 -2.833 1.00 0.33 H new ATOM 0 H2 DA A 1 -2.527 -8.738 -7.610 1.00 0.29 H new ATOM 31 P DT A 2 6.361 -7.570 -8.765 1.00 0.32 P ATOM 32 OP1 DT A 2 7.211 -7.361 -9.959 1.00 0.36 O ATOM 33 OP2 DT A 2 6.958 -7.484 -7.413 1.00 0.38 O ATOM 34 O5' DT A 2 5.122 -6.553 -8.845 1.00 0.28 O ATOM 35 C5' DT A 2 4.432 -6.357 -10.081 1.00 0.24 C ATOM 36 C4' DT A 2 3.215 -5.465 -9.899 1.00 0.19 C ATOM 37 O4' DT A 2 2.200 -6.120 -9.105 1.00 0.18 O ATOM 38 C3' DT A 2 3.604 -4.179 -9.184 1.00 0.19 C ATOM 39 O3' DT A 2 3.574 -3.058 -10.074 1.00 0.21 O ATOM 40 C2' DT A 2 2.603 -4.021 -8.072 1.00 0.17 C ATOM 41 C1' DT A 2 1.610 -5.157 -8.211 1.00 0.15 C ATOM 42 N1 DT A 2 1.302 -5.743 -6.891 1.00 0.17 N ATOM 43 C2 DT A 2 -0.025 -5.792 -6.508 1.00 0.17 C ATOM 44 O2 DT A 2 -0.936 -5.427 -7.246 1.00 0.19 O ATOM 45 N3 DT A 2 -0.271 -6.285 -5.245 1.00 0.21 N ATOM 46 C4 DT A 2 0.674 -6.733 -4.344 1.00 0.25 C ATOM 47 O4 DT A 2 0.331 -7.147 -3.238 1.00 0.30 O ATOM 48 C5 DT A 2 2.034 -6.653 -4.831 1.00 0.26 C ATOM 49 C7 DT A 2 3.182 -7.118 -3.939 1.00 0.34 C ATOM 50 C6 DT A 2 2.300 -6.171 -6.064 1.00 0.21 C ATOM 0 H5' DT A 2 4.122 -7.321 -10.484 1.00 0.24 H new ATOM 0 H5'' DT A 2 5.108 -5.910 -10.810 1.00 0.24 H new ATOM 0 H4' DT A 2 2.823 -5.249 -10.893 1.00 0.19 H new ATOM 0 H3' DT A 2 4.624 -4.226 -8.802 1.00 0.19 H new ATOM 0 H2' DT A 2 3.096 -4.055 -7.100 1.00 0.17 H new ATOM 0 H2'' DT A 2 2.099 -3.057 -8.140 1.00 0.17 H new ATOM 0 H1' DT A 2 0.660 -4.807 -8.616 1.00 0.15 H new ATOM 0 H3 DT A 2 -1.246 -6.323 -4.947 1.00 0.21 H new ATOM 0 H71 DT A 2 2.915 -6.965 -2.893 1.00 0.34 H new ATOM 0 H72 DT A 2 3.373 -8.177 -4.114 1.00 0.34 H new ATOM 0 H73 DT A 2 4.079 -6.544 -4.172 1.00 0.34 H new ATOM 0 H6 DT A 2 3.324 -6.123 -6.403 1.00 0.21 H new ATOM 63 P DG A 3 3.872 -1.574 -9.527 1.00 0.25 P ATOM 64 OP1 DG A 3 4.259 -0.724 -10.677 1.00 0.31 O ATOM 65 OP2 DG A 3 4.765 -1.680 -8.350 1.00 0.27 O ATOM 66 O5' DG A 3 2.425 -1.103 -9.014 1.00 0.24 O ATOM 67 C5' DG A 3 1.332 -0.973 -9.935 1.00 0.24 C ATOM 68 C4' DG A 3 0.321 0.065 -9.483 1.00 0.22 C ATOM 69 O4' DG A 3 -0.257 -0.308 -8.210 1.00 0.21 O ATOM 70 C3' DG A 3 0.983 1.425 -9.320 1.00 0.24 C ATOM 71 O3' DG A 3 0.532 2.334 -10.335 1.00 0.28 O ATOM 72 C2' DG A 3 0.606 1.898 -7.941 1.00 0.25 C ATOM 73 C1' DG A 3 -0.287 0.834 -7.332 1.00 0.22 C ATOM 74 N9 DG A 3 0.166 0.481 -5.975 1.00 0.21 N ATOM 75 C8 DG A 3 1.419 0.367 -5.493 1.00 0.21 C ATOM 76 N7 DG A 3 1.561 0.061 -4.239 1.00 0.20 N ATOM 77 C5 DG A 3 0.223 -0.039 -3.828 1.00 0.19 C ATOM 78 C6 DG A 3 -0.329 -0.344 -2.551 1.00 0.20 C ATOM 79 O6 DG A 3 0.259 -0.579 -1.494 1.00 0.22 O ATOM 80 N1 DG A 3 -1.717 -0.336 -2.583 1.00 0.22 N ATOM 81 C2 DG A 3 -2.486 -0.066 -3.697 1.00 0.23 C ATOM 82 N2 DG A 3 -3.805 -0.070 -3.523 1.00 0.26 N ATOM 83 N3 DG A 3 -1.977 0.218 -4.894 1.00 0.22 N ATOM 84 C4 DG A 3 -0.630 0.217 -4.892 1.00 0.20 C ATOM 0 H5' DG A 3 0.836 -1.937 -10.045 1.00 0.24 H new ATOM 0 H5'' DG A 3 1.717 -0.699 -10.917 1.00 0.24 H new ATOM 0 H4' DG A 3 -0.456 0.118 -10.246 1.00 0.22 H new ATOM 0 H3' DG A 3 2.066 1.367 -9.430 1.00 0.24 H new ATOM 0 H2' DG A 3 1.495 2.050 -7.330 1.00 0.25 H new ATOM 0 H2'' DG A 3 0.086 2.855 -7.991 1.00 0.25 H new ATOM 0 H1' DG A 3 -1.308 1.202 -7.232 1.00 0.22 H new ATOM 0 H8 DG A 3 2.277 0.525 -6.129 1.00 0.21 H new ATOM 0 H1 DG A 3 -2.208 -0.546 -1.714 1.00 0.22 H new ATOM 0 H21 DG A 3 -4.424 0.123 -4.311 1.00 0.26 H new ATOM 0 H22 DG A 3 -4.197 -0.266 -2.602 1.00 0.26 H new ATOM 96 P DC A 4 0.704 3.927 -10.170 1.00 0.27 P ATOM 97 OP1 DC A 4 0.616 4.546 -11.509 1.00 0.33 O ATOM 98 OP2 DC A 4 1.882 4.187 -9.312 1.00 0.29 O ATOM 99 O5' DC A 4 -0.618 4.318 -9.345 1.00 0.24 O ATOM 100 C5' DC A 4 -1.912 4.010 -9.872 1.00 0.27 C ATOM 101 C4' DC A 4 -3.008 4.290 -8.854 1.00 0.26 C ATOM 102 O4' DC A 4 -2.862 3.437 -7.696 1.00 0.27 O ATOM 103 C3' DC A 4 -2.941 5.735 -8.390 1.00 0.23 C ATOM 104 O3' DC A 4 -4.036 6.499 -8.907 1.00 0.30 O ATOM 105 C2' DC A 4 -2.972 5.681 -6.888 1.00 0.24 C ATOM 106 C1' DC A 4 -2.947 4.218 -6.486 1.00 0.24 C ATOM 107 N1 DC A 4 -1.800 3.949 -5.593 1.00 0.20 N ATOM 108 C2 DC A 4 -2.065 3.482 -4.314 1.00 0.21 C ATOM 109 O2 DC A 4 -3.220 3.276 -3.951 1.00 0.26 O ATOM 110 N3 DC A 4 -1.016 3.264 -3.477 1.00 0.21 N ATOM 111 C4 DC A 4 0.241 3.492 -3.876 1.00 0.21 C ATOM 112 N4 DC A 4 1.243 3.283 -3.021 1.00 0.24 N ATOM 113 C5 DC A 4 0.520 3.968 -5.194 1.00 0.21 C ATOM 114 C6 DC A 4 -0.526 4.182 -6.014 1.00 0.19 C ATOM 0 H5' DC A 4 -1.946 2.961 -10.166 1.00 0.27 H new ATOM 0 H5'' DC A 4 -2.090 4.599 -10.771 1.00 0.27 H new ATOM 0 H4' DC A 4 -3.965 4.094 -9.338 1.00 0.26 H new ATOM 0 H3' DC A 4 -2.039 6.228 -8.752 1.00 0.23 H new ATOM 0 H2' DC A 4 -2.116 6.209 -6.467 1.00 0.24 H new ATOM 0 H2'' DC A 4 -3.868 6.169 -6.505 1.00 0.24 H new ATOM 0 H1' DC A 4 -3.849 3.952 -5.935 1.00 0.24 H new ATOM 0 H41 DC A 4 2.206 3.453 -3.312 1.00 0.24 H new ATOM 0 H42 DC A 4 1.047 2.953 -2.076 1.00 0.24 H new ATOM 0 H5 DC A 4 1.533 4.150 -5.521 1.00 0.21 H new ATOM 0 H6 DC A 4 -0.353 4.543 -7.017 1.00 0.19 H new ATOM 126 P DA A 5 -4.093 8.093 -8.689 1.00 0.32 P ATOM 127 OP1 DA A 5 -4.986 8.670 -9.720 1.00 0.42 O ATOM 128 OP2 DA A 5 -2.708 8.597 -8.546 1.00 0.28 O ATOM 129 O5' DA A 5 -4.824 8.216 -7.262 1.00 0.33 O ATOM 130 C5' DA A 5 -6.129 7.664 -7.072 1.00 0.39 C ATOM 131 C4' DA A 5 -6.843 8.280 -5.875 1.00 0.43 C ATOM 132 O4' DA A 5 -6.091 8.082 -4.659 1.00 0.37 O ATOM 133 C3' DA A 5 -7.036 9.774 -6.071 1.00 0.46 C ATOM 134 O3' DA A 5 -8.407 10.079 -6.359 1.00 0.57 O ATOM 135 C2' DA A 5 -6.592 10.411 -4.783 1.00 0.42 C ATOM 136 C1' DA A 5 -6.067 9.302 -3.892 1.00 0.36 C ATOM 137 N9 DA A 5 -4.701 9.603 -3.436 1.00 0.28 N ATOM 138 C8 DA A 5 -3.672 10.142 -4.123 1.00 0.27 C ATOM 139 N7 DA A 5 -2.556 10.316 -3.490 1.00 0.24 N ATOM 140 C5 DA A 5 -2.880 9.831 -2.216 1.00 0.20 C ATOM 141 C6 DA A 5 -2.151 9.714 -1.025 1.00 0.19 C ATOM 142 N6 DA A 5 -0.878 10.093 -0.905 1.00 0.23 N ATOM 143 N1 DA A 5 -2.786 9.192 0.040 1.00 0.18 N ATOM 144 C2 DA A 5 -4.059 8.805 -0.055 1.00 0.21 C ATOM 145 N3 DA A 5 -4.840 8.869 -1.127 1.00 0.25 N ATOM 146 C4 DA A 5 -4.185 9.395 -2.179 1.00 0.23 C ATOM 0 H5' DA A 5 -6.049 6.586 -6.931 1.00 0.39 H new ATOM 0 H5'' DA A 5 -6.724 7.824 -7.971 1.00 0.39 H new ATOM 0 H4' DA A 5 -7.810 7.784 -5.794 1.00 0.43 H new ATOM 0 H3' DA A 5 -6.460 10.148 -6.917 1.00 0.46 H new ATOM 0 H2' DA A 5 -5.817 11.155 -4.969 1.00 0.42 H new ATOM 0 H2'' DA A 5 -7.423 10.929 -4.304 1.00 0.42 H new ATOM 0 H1' DA A 5 -6.689 9.204 -3.002 1.00 0.36 H new ATOM 0 H8 DA A 5 -3.776 10.418 -5.162 1.00 0.27 H new ATOM 0 H61 DA A 5 -0.396 9.985 -0.013 1.00 0.23 H new ATOM 0 H62 DA A 5 -0.387 10.491 -1.705 1.00 0.23 H new ATOM 0 H2 DA A 5 -4.504 8.394 0.839 1.00 0.21 H new ATOM 158 P DT A 6 -8.946 11.597 -6.308 1.00 0.65 P ATOM 159 OP1 DT A 6 -10.311 11.624 -6.878 1.00 0.77 O ATOM 160 OP2 DT A 6 -7.897 12.483 -6.863 1.00 0.64 O ATOM 161 O5' DT A 6 -9.053 11.873 -4.726 1.00 0.63 O ATOM 162 C5' DT A 6 -9.972 11.127 -3.922 1.00 0.68 C ATOM 163 C4' DT A 6 -9.830 11.463 -2.441 1.00 0.71 C ATOM 164 O4' DT A 6 -8.530 11.083 -1.946 1.00 0.62 O ATOM 165 C3' DT A 6 -10.002 12.958 -2.199 1.00 0.76 C ATOM 166 O3' DT A 6 -11.236 13.232 -1.525 1.00 0.91 O ATOM 167 C2' DT A 6 -8.822 13.370 -1.360 1.00 0.72 C ATOM 168 C1' DT A 6 -8.038 12.106 -1.061 1.00 0.63 C ATOM 169 N1 DT A 6 -6.586 12.319 -1.240 1.00 0.53 N ATOM 170 C2 DT A 6 -5.763 12.026 -0.170 1.00 0.50 C ATOM 171 O2 DT A 6 -6.198 11.586 0.891 1.00 0.57 O ATOM 172 N3 DT A 6 -4.418 12.255 -0.361 1.00 0.42 N ATOM 173 C4 DT A 6 -3.826 12.743 -1.509 1.00 0.40 C ATOM 174 O4 DT A 6 -2.610 12.913 -1.557 1.00 0.39 O ATOM 175 C5 DT A 6 -4.760 13.019 -2.578 1.00 0.44 C ATOM 176 C7 DT A 6 -4.243 13.558 -3.910 1.00 0.48 C ATOM 177 C6 DT A 6 -6.082 12.804 -2.416 1.00 0.49 C ATOM 0 H5' DT A 6 -9.803 10.061 -4.071 1.00 0.68 H new ATOM 0 H5'' DT A 6 -10.991 11.336 -4.246 1.00 0.68 H new ATOM 0 H4' DT A 6 -10.608 10.907 -1.917 1.00 0.71 H new ATOM 0 H3' DT A 6 -10.040 13.514 -3.136 1.00 0.76 H new ATOM 0 H2' DT A 6 -8.203 14.093 -1.891 1.00 0.72 H new ATOM 0 H2'' DT A 6 -9.151 13.849 -0.438 1.00 0.72 H new ATOM 0 HO3' DT A 6 -11.322 14.197 -1.380 1.00 0.91 H new ATOM 0 H1' DT A 6 -8.176 11.809 -0.021 1.00 0.63 H new ATOM 0 H3 DT A 6 -3.799 12.043 0.422 1.00 0.42 H new ATOM 0 H71 DT A 6 -4.896 13.223 -4.716 1.00 0.48 H new ATOM 0 H72 DT A 6 -4.231 14.648 -3.882 1.00 0.48 H new ATOM 0 H73 DT A 6 -3.232 13.189 -4.084 1.00 0.48 H new ATOM 0 H6 DT A 6 -6.757 13.019 -3.232 1.00 0.49 H new TER 191 DT A 6 ATOM 192 O5' DA B 11 2.236 12.818 6.485 1.00 0.49 O ATOM 193 C5' DA B 11 1.773 13.179 7.789 1.00 0.49 C ATOM 194 C4' DA B 11 0.594 12.313 8.225 1.00 0.40 C ATOM 195 O4' DA B 11 -0.529 12.498 7.338 1.00 0.37 O ATOM 196 C3' DA B 11 0.973 10.839 8.206 1.00 0.35 C ATOM 197 O3' DA B 11 0.660 10.222 9.460 1.00 0.33 O ATOM 198 C2' DA B 11 0.176 10.228 7.083 1.00 0.29 C ATOM 199 C1' DA B 11 -0.734 11.314 6.540 1.00 0.29 C ATOM 200 N9 DA B 11 -0.439 11.594 5.124 1.00 0.30 N ATOM 201 C8 DA B 11 0.745 11.862 4.523 1.00 0.36 C ATOM 202 N7 DA B 11 0.730 12.104 3.256 1.00 0.37 N ATOM 203 C5 DA B 11 -0.632 11.985 2.966 1.00 0.30 C ATOM 204 C6 DA B 11 -1.363 12.120 1.784 1.00 0.30 C ATOM 205 N6 DA B 11 -0.806 12.427 0.614 1.00 0.34 N ATOM 206 N1 DA B 11 -2.691 11.933 1.855 1.00 0.30 N ATOM 207 C2 DA B 11 -3.272 11.633 3.019 1.00 0.30 C ATOM 208 N3 DA B 11 -2.679 11.483 4.195 1.00 0.27 N ATOM 209 C4 DA B 11 -1.349 11.674 4.098 1.00 0.27 C ATOM 0 H5' DA B 11 1.476 14.228 7.793 1.00 0.49 H new ATOM 0 H5'' DA B 11 2.587 13.075 8.507 1.00 0.49 H new ATOM 0 H4' DA B 11 0.324 12.616 9.237 1.00 0.40 H new ATOM 0 H3' DA B 11 2.043 10.697 8.053 1.00 0.35 H new ATOM 0 H2' DA B 11 0.837 9.853 6.302 1.00 0.29 H new ATOM 0 H2'' DA B 11 -0.408 9.380 7.442 1.00 0.29 H new ATOM 0 HO5' DA B 11 1.522 12.968 5.831 1.00 0.49 H new ATOM 0 H1' DA B 11 -1.773 10.989 6.595 1.00 0.29 H new ATOM 0 H8 DA B 11 1.668 11.873 5.084 1.00 0.36 H new ATOM 0 H61 DA B 11 -1.387 12.513 -0.220 1.00 0.34 H new ATOM 0 H62 DA B 11 0.201 12.576 0.552 1.00 0.34 H new ATOM 0 H2 DA B 11 -4.343 11.498 3.000 1.00 0.30 H new ATOM 222 P DT B 12 0.993 8.670 9.724 1.00 0.33 P ATOM 223 OP1 DT B 12 0.757 8.386 11.158 1.00 0.36 O ATOM 224 OP2 DT B 12 2.311 8.365 9.121 1.00 0.39 O ATOM 225 O5' DT B 12 -0.145 7.930 8.869 1.00 0.28 O ATOM 226 C5' DT B 12 -1.507 7.969 9.301 1.00 0.25 C ATOM 227 C4' DT B 12 -2.430 7.326 8.277 1.00 0.19 C ATOM 228 O4' DT B 12 -2.492 8.109 7.064 1.00 0.19 O ATOM 229 C3' DT B 12 -1.927 5.937 7.907 1.00 0.19 C ATOM 230 O3' DT B 12 -2.767 4.916 8.455 1.00 0.21 O ATOM 231 C2' DT B 12 -1.930 5.896 6.402 1.00 0.17 C ATOM 232 C1' DT B 12 -2.504 7.218 5.931 1.00 0.14 C ATOM 233 N1 DT B 12 -1.719 7.754 4.800 1.00 0.17 N ATOM 234 C2 DT B 12 -2.399 8.037 3.630 1.00 0.17 C ATOM 235 O2 DT B 12 -3.618 7.918 3.534 1.00 0.19 O ATOM 236 N3 DT B 12 -1.629 8.474 2.574 1.00 0.21 N ATOM 237 C4 DT B 12 -0.261 8.655 2.580 1.00 0.26 C ATOM 238 O4 DT B 12 0.320 9.044 1.568 1.00 0.30 O ATOM 239 C5 DT B 12 0.367 8.342 3.845 1.00 0.26 C ATOM 240 C7 DT B 12 1.878 8.500 3.996 1.00 0.35 C ATOM 241 C6 DT B 12 -0.363 7.911 4.894 1.00 0.21 C ATOM 0 H5' DT B 12 -1.809 9.003 9.467 1.00 0.25 H new ATOM 0 H5'' DT B 12 -1.603 7.452 10.256 1.00 0.25 H new ATOM 0 H4' DT B 12 -3.420 7.268 8.730 1.00 0.19 H new ATOM 0 H3' DT B 12 -0.932 5.751 8.312 1.00 0.19 H new ATOM 0 H2' DT B 12 -0.920 5.753 6.017 1.00 0.17 H new ATOM 0 H2'' DT B 12 -2.531 5.062 6.039 1.00 0.17 H new ATOM 0 H1' DT B 12 -3.523 7.097 5.564 1.00 0.14 H new ATOM 0 H3 DT B 12 -2.118 8.684 1.704 1.00 0.21 H new ATOM 0 H71 DT B 12 2.360 8.325 3.034 1.00 0.35 H new ATOM 0 H72 DT B 12 2.106 9.509 4.338 1.00 0.35 H new ATOM 0 H73 DT B 12 2.248 7.778 4.724 1.00 0.35 H new ATOM 0 H6 DT B 12 0.133 7.685 5.827 1.00 0.21 H new ATOM 254 P DG B 13 -2.480 3.366 8.133 1.00 0.24 P ATOM 255 OP1 DG B 13 -3.144 2.545 9.171 1.00 0.30 O ATOM 256 OP2 DG B 13 -1.030 3.202 7.873 1.00 0.27 O ATOM 257 O5' DG B 13 -3.261 3.157 6.745 1.00 0.24 O ATOM 258 C5' DG B 13 -4.685 3.317 6.680 1.00 0.23 C ATOM 259 C4' DG B 13 -5.306 2.472 5.583 1.00 0.22 C ATOM 260 O4' DG B 13 -4.790 2.854 4.289 1.00 0.21 O ATOM 261 C3' DG B 13 -4.996 0.997 5.799 1.00 0.24 C ATOM 262 O3' DG B 13 -6.180 0.277 6.172 1.00 0.28 O ATOM 263 C2' DG B 13 -4.435 0.504 4.490 1.00 0.24 C ATOM 264 C1' DG B 13 -4.451 1.678 3.530 1.00 0.22 C ATOM 265 N9 DG B 13 -3.143 1.830 2.864 1.00 0.20 N ATOM 266 C8 DG B 13 -1.897 1.657 3.360 1.00 0.20 C ATOM 267 N7 DG B 13 -0.897 1.834 2.552 1.00 0.20 N ATOM 268 C5 DG B 13 -1.559 2.166 1.360 1.00 0.20 C ATOM 269 C6 DG B 13 -1.035 2.478 0.073 1.00 0.20 C ATOM 270 O6 DG B 13 0.142 2.511 -0.293 1.00 0.22 O ATOM 271 N1 DG B 13 -2.049 2.749 -0.836 1.00 0.21 N ATOM 272 C2 DG B 13 -3.399 2.723 -0.552 1.00 0.22 C ATOM 273 N2 DG B 13 -4.223 2.977 -1.566 1.00 0.26 N ATOM 274 N3 DG B 13 -3.896 2.434 0.649 1.00 0.21 N ATOM 275 C4 DG B 13 -2.932 2.166 1.551 1.00 0.20 C ATOM 0 H5' DG B 13 -4.924 4.366 6.507 1.00 0.23 H new ATOM 0 H5'' DG B 13 -5.124 3.044 7.640 1.00 0.23 H new ATOM 0 H4' DG B 13 -6.383 2.636 5.618 1.00 0.22 H new ATOM 0 H3' DG B 13 -4.285 0.846 6.612 1.00 0.24 H new ATOM 0 H2' DG B 13 -3.420 0.128 4.622 1.00 0.24 H new ATOM 0 H2'' DG B 13 -5.032 -0.321 4.101 1.00 0.24 H new ATOM 0 H1' DG B 13 -5.187 1.516 2.742 1.00 0.22 H new ATOM 0 H8 DG B 13 -1.740 1.381 4.392 1.00 0.20 H new ATOM 0 H1 DG B 13 -1.774 2.986 -1.789 1.00 0.21 H new ATOM 0 H21 DG B 13 -5.232 2.972 -1.417 1.00 0.26 H new ATOM 0 H22 DG B 13 -3.845 3.177 -2.492 1.00 0.26 H new ATOM 287 P DC B 14 -6.261 -1.327 6.038 1.00 0.27 P ATOM 288 OP1 DC B 14 -7.346 -1.813 6.916 1.00 0.33 O ATOM 289 OP2 DC B 14 -4.895 -1.881 6.175 1.00 0.30 O ATOM 290 O5' DC B 14 -6.727 -1.508 4.510 1.00 0.24 O ATOM 291 C5' DC B 14 -7.944 -0.909 4.055 1.00 0.27 C ATOM 292 C4' DC B 14 -8.097 -1.041 2.546 1.00 0.26 C ATOM 293 O4' DC B 14 -7.047 -0.324 1.860 1.00 0.26 O ATOM 294 C3' DC B 14 -8.023 -2.501 2.132 1.00 0.23 C ATOM 295 O3' DC B 14 -9.304 -2.990 1.719 1.00 0.30 O ATOM 296 C2' DC B 14 -7.027 -2.557 1.006 1.00 0.23 C ATOM 297 C1' DC B 14 -6.449 -1.162 0.847 1.00 0.23 C ATOM 298 N1 DC B 14 -4.978 -1.194 0.983 1.00 0.20 N ATOM 299 C2 DC B 14 -4.215 -0.781 -0.100 1.00 0.22 C ATOM 300 O2 DC B 14 -4.754 -0.376 -1.126 1.00 0.26 O ATOM 301 N3 DC B 14 -2.860 -0.840 0.005 1.00 0.21 N ATOM 302 C4 DC B 14 -2.276 -1.283 1.124 1.00 0.21 C ATOM 303 N4 DC B 14 -0.945 -1.344 1.184 1.00 0.24 N ATOM 304 C5 DC B 14 -3.056 -1.705 2.245 1.00 0.20 C ATOM 305 C6 DC B 14 -4.395 -1.645 2.131 1.00 0.19 C ATOM 0 H5' DC B 14 -7.959 0.145 4.333 1.00 0.27 H new ATOM 0 H5'' DC B 14 -8.792 -1.382 4.551 1.00 0.27 H new ATOM 0 H4' DC B 14 -9.067 -0.623 2.276 1.00 0.26 H new ATOM 0 H3' DC B 14 -7.717 -3.135 2.964 1.00 0.23 H new ATOM 0 H2' DC B 14 -6.239 -3.277 1.225 1.00 0.23 H new ATOM 0 H2'' DC B 14 -7.508 -2.882 0.083 1.00 0.23 H new ATOM 0 H1' DC B 14 -6.670 -0.765 -0.144 1.00 0.23 H new ATOM 0 H41 DC B 14 -0.488 -1.680 2.032 1.00 0.24 H new ATOM 0 H42 DC B 14 -0.385 -1.055 0.382 1.00 0.24 H new ATOM 0 H5 DC B 14 -2.587 -2.059 3.151 1.00 0.20 H new ATOM 0 H6 DC B 14 -5.016 -1.957 2.958 1.00 0.19 H new ATOM 317 P DA B 15 -9.515 -4.551 1.391 1.00 0.32 P ATOM 318 OP1 DA B 15 -10.958 -4.858 1.506 1.00 0.42 O ATOM 319 OP2 DA B 15 -8.529 -5.331 2.174 1.00 0.29 O ATOM 320 O5' DA B 15 -9.104 -4.633 -0.162 1.00 0.33 O ATOM 321 C5' DA B 15 -9.798 -3.845 -1.133 1.00 0.39 C ATOM 322 C4' DA B 15 -9.624 -4.396 -2.545 1.00 0.42 C ATOM 323 O4' DA B 15 -8.231 -4.444 -2.918 1.00 0.36 O ATOM 324 C3' DA B 15 -10.188 -5.804 -2.650 1.00 0.46 C ATOM 325 O3' DA B 15 -11.420 -5.806 -3.382 1.00 0.57 O ATOM 326 C2' DA B 15 -9.130 -6.613 -3.354 1.00 0.41 C ATOM 327 C1' DA B 15 -7.937 -5.699 -3.564 1.00 0.35 C ATOM 328 N9 DA B 15 -6.715 -6.301 -3.006 1.00 0.28 N ATOM 329 C8 DA B 15 -6.543 -6.984 -1.850 1.00 0.27 C ATOM 330 N7 DA B 15 -5.357 -7.421 -1.586 1.00 0.24 N ATOM 331 C5 DA B 15 -4.640 -6.978 -2.704 1.00 0.20 C ATOM 332 C6 DA B 15 -3.298 -7.100 -3.083 1.00 0.19 C ATOM 333 N6 DA B 15 -2.383 -7.733 -2.347 1.00 0.23 N ATOM 334 N1 DA B 15 -2.933 -6.543 -4.251 1.00 0.18 N ATOM 335 C2 DA B 15 -3.830 -5.904 -5.005 1.00 0.21 C ATOM 336 N3 DA B 15 -5.120 -5.729 -4.743 1.00 0.25 N ATOM 337 C4 DA B 15 -5.462 -6.295 -3.571 1.00 0.23 C ATOM 0 H5' DA B 15 -9.432 -2.819 -1.096 1.00 0.39 H new ATOM 0 H5'' DA B 15 -10.859 -3.814 -0.884 1.00 0.39 H new ATOM 0 H4' DA B 15 -10.162 -3.726 -3.215 1.00 0.42 H new ATOM 0 H3' DA B 15 -10.418 -6.222 -1.670 1.00 0.46 H new ATOM 0 H2' DA B 15 -8.850 -7.482 -2.759 1.00 0.41 H new ATOM 0 H2'' DA B 15 -9.502 -6.987 -4.308 1.00 0.41 H new ATOM 0 H1' DA B 15 -7.761 -5.544 -4.628 1.00 0.35 H new ATOM 0 H8 DA B 15 -7.367 -7.157 -1.174 1.00 0.27 H new ATOM 0 H61 DA B 15 -1.418 -7.791 -2.672 1.00 0.23 H new ATOM 0 H62 DA B 15 -2.648 -8.159 -1.459 1.00 0.23 H new ATOM 0 H2 DA B 15 -3.466 -5.483 -5.931 1.00 0.21 H new ATOM 349 P DT B 16 -12.070 -7.185 -3.903 1.00 0.64 P ATOM 350 OP1 DT B 16 -13.433 -6.895 -4.401 1.00 0.77 O ATOM 351 OP2 DT B 16 -11.869 -8.219 -2.862 1.00 0.64 O ATOM 352 O5' DT B 16 -11.138 -7.552 -5.164 1.00 0.62 O ATOM 353 C5' DT B 16 -11.109 -6.701 -6.314 1.00 0.67 C ATOM 354 C4' DT B 16 -10.078 -7.168 -7.336 1.00 0.70 C ATOM 355 O4' DT B 16 -8.741 -7.093 -6.797 1.00 0.62 O ATOM 356 C3' DT B 16 -10.333 -8.613 -7.750 1.00 0.76 C ATOM 357 O3' DT B 16 -10.815 -8.685 -9.096 1.00 0.90 O ATOM 358 C2' DT B 16 -9.007 -9.315 -7.612 1.00 0.72 C ATOM 359 C1' DT B 16 -7.997 -8.258 -7.202 1.00 0.63 C ATOM 360 N1 DT B 16 -7.125 -8.743 -6.111 1.00 0.52 N ATOM 361 C2 DT B 16 -5.760 -8.702 -6.323 1.00 0.49 C ATOM 362 O2 DT B 16 -5.270 -8.265 -7.361 1.00 0.56 O ATOM 363 N3 DT B 16 -4.973 -9.180 -5.298 1.00 0.41 N ATOM 364 C4 DT B 16 -5.419 -9.687 -4.094 1.00 0.39 C ATOM 365 O4 DT B 16 -4.616 -10.093 -3.255 1.00 0.38 O ATOM 366 C5 DT B 16 -6.858 -9.690 -3.954 1.00 0.44 C ATOM 367 C7 DT B 16 -7.489 -10.220 -2.669 1.00 0.48 C ATOM 368 C6 DT B 16 -7.651 -9.229 -4.943 1.00 0.49 C ATOM 0 H5' DT B 16 -10.880 -5.681 -6.006 1.00 0.67 H new ATOM 0 H5'' DT B 16 -12.096 -6.680 -6.776 1.00 0.67 H new ATOM 0 H4' DT B 16 -10.171 -6.509 -8.199 1.00 0.70 H new ATOM 0 H3' DT B 16 -11.098 -9.078 -7.128 1.00 0.76 H new ATOM 0 H2' DT B 16 -9.064 -10.107 -6.865 1.00 0.72 H new ATOM 0 H2'' DT B 16 -8.717 -9.784 -8.552 1.00 0.72 H new ATOM 0 HO3' DT B 16 -10.969 -9.622 -9.339 1.00 0.90 H new ATOM 0 H1' DT B 16 -7.338 -8.018 -8.036 1.00 0.63 H new ATOM 0 H3 DT B 16 -3.964 -9.157 -5.443 1.00 0.41 H new ATOM 0 H71 DT B 16 -8.430 -9.702 -2.485 1.00 0.48 H new ATOM 0 H72 DT B 16 -7.677 -11.289 -2.770 1.00 0.48 H new ATOM 0 H73 DT B 16 -6.811 -10.048 -1.833 1.00 0.48 H new ATOM 0 H6 DT B 16 -8.723 -9.243 -4.811 1.00 0.49 H new TER 382 DT B 16 HETATM 383 C1 XR2 A 21 1.277 -3.297 -3.523 1.00 0.16 C HETATM 384 C2 XR2 A 21 1.338 -2.937 -4.862 1.00 0.17 C HETATM 385 C3 XR2 A 21 0.180 -2.825 -5.615 1.00 0.17 C HETATM 386 C4 XR2 A 21 -1.049 -3.092 -5.017 1.00 0.16 C HETATM 387 C12 XR2 A 21 -1.113 -3.466 -3.672 1.00 0.15 C HETATM 388 C11 XR2 A 21 0.059 -3.568 -2.925 1.00 0.15 C HETATM 389 N5 XR2 A 21 -2.335 -3.710 -3.168 1.00 0.15 N HETATM 390 N10 XR2 A 21 -0.032 -3.938 -1.608 1.00 0.17 N HETATM 391 C13 XR2 A 21 -2.389 -4.071 -1.873 1.00 0.14 C HETATM 392 C14 XR2 A 21 -1.267 -4.196 -1.062 1.00 0.16 C HETATM 393 C6 XR2 A 21 -3.655 -4.328 -1.344 1.00 0.16 C HETATM 394 C7 XR2 A 21 -3.801 -4.711 -0.009 1.00 0.16 C HETATM 395 C8 XR2 A 21 -2.671 -4.832 0.799 1.00 0.18 C HETATM 396 C9 XR2 A 21 -1.429 -4.587 0.301 1.00 0.18 C HETATM 397 C9A XR2 A 21 -0.211 -4.744 1.214 1.00 0.22 C HETATM 398 C XR2 A 21 2.571 -3.306 -2.739 1.00 0.19 C HETATM 399 O XR2 A 21 2.572 -3.798 -1.609 1.00 0.22 O HETATM 400 N XR2 A 21 3.363 -2.296 -3.003 1.00 0.20 N HETATM 401 CA XR2 A 21 4.542 -1.967 -2.148 1.00 0.22 C HETATM 402 CB XR2 A 21 3.970 -1.196 -0.945 1.00 0.27 C HETATM 403 NG XR2 A 21 2.892 -0.308 -1.496 1.00 0.22 N HETATM 404 CD XR2 A 21 2.859 0.919 -0.641 1.00 0.28 C HETATM 405 N' XR2 A 21 1.683 3.682 3.041 1.00 0.21 N HETATM 406 C' XR2 A 21 1.495 4.807 2.396 1.00 0.19 C HETATM 407 O' XR2 A 21 2.351 5.203 1.604 1.00 0.21 O HETATM 408 C1' XR2 A 21 0.042 5.116 2.106 1.00 0.16 C HETATM 409 C2' XR2 A 21 -0.884 4.852 3.106 1.00 0.16 C HETATM 410 C3' XR2 A 21 -2.242 5.030 2.878 1.00 0.16 C HETATM 411 C4' XR2 A 21 -2.665 5.492 1.631 1.00 0.16 C HETATM 412 CCX XR2 A 21 -1.731 5.769 0.625 1.00 0.14 C HETATM 413 N5' XR2 A 21 -2.216 6.213 -0.547 1.00 0.14 N HETATM 414 CDX XR2 A 21 -1.313 6.479 -1.508 1.00 0.14 C HETATM 415 CEX XR2 A 21 0.057 6.316 -1.343 1.00 0.15 C HETATM 416 NAX XR2 A 21 0.521 5.858 -0.132 1.00 0.16 N HETATM 417 CBX XR2 A 21 -0.373 5.578 0.870 1.00 0.15 C HETATM 418 C9' XR2 A 21 0.935 6.628 -2.424 1.00 0.17 C HETATM 419 C8' XR2 A 21 0.431 7.079 -3.605 1.00 0.17 C HETATM 420 C7' XR2 A 21 -0.941 7.247 -3.777 1.00 0.15 C HETATM 421 C6' XR2 A 21 -1.810 6.944 -2.726 1.00 0.15 C HETATM 422 C9X XR2 A 21 2.448 6.470 -2.267 1.00 0.22 C HETATM 423 CA' XR2 A 21 3.034 3.061 3.176 1.00 0.23 C HETATM 424 CB' XR2 A 21 3.282 2.332 1.845 1.00 0.26 C HETATM 425 NG' XR2 A 21 1.967 1.721 1.455 1.00 0.21 N HETATM 426 CD' XR2 A 21 2.275 0.463 0.706 1.00 0.28 C HETATM 0 HG2' XR2 A 21 1.403 1.520 2.281 1.00 0.21 H new HETATM 0 HG1' XR2 A 21 1.428 2.364 0.875 1.00 0.21 H new HETATM 0 HD2' XR2 A 21 1.377 -0.137 0.561 1.00 0.28 H new HETATM 0 HD1' XR2 A 21 2.987 -0.155 1.253 1.00 0.28 H new HETATM 0 HB2' XR2 A 21 3.632 3.025 1.080 1.00 0.26 H new HETATM 0 HB1' XR2 A 21 4.050 1.566 1.957 1.00 0.26 H new HETATM 0 HA2' XR2 A 21 3.798 3.817 3.358 1.00 0.23 H new HETATM 0 HA1' XR2 A 21 3.066 2.367 4.016 1.00 0.23 H new HETATM 0 H93' XR2 A 21 2.799 7.110 -1.457 1.00 0.22 H new HETATM 0 H92' XR2 A 21 2.683 5.431 -2.036 1.00 0.22 H new HETATM 0 H91' XR2 A 21 2.942 6.756 -3.196 1.00 0.22 H new HETATM 0 H10' XR2 A 21 1.521 5.728 0.020 1.00 0.16 H new HETATM 0 HN' XR2 A 21 0.881 3.216 3.464 1.00 0.21 H new HETATM 0 HN XR2 A 21 3.168 -1.716 -3.819 1.00 0.20 H new HETATM 0 HG2 XR2 A 21 3.085 -0.066 -2.468 1.00 0.22 H new HETATM 0 HG1 XR2 A 21 1.990 -0.783 -1.481 1.00 0.22 H new HETATM 0 HD2 XR2 A 21 3.858 1.337 -0.515 1.00 0.28 H new HETATM 0 HD1 XR2 A 21 2.243 1.696 -1.093 1.00 0.28 H new HETATM 0 HB2 XR2 A 21 3.568 -1.881 -0.199 1.00 0.27 H new HETATM 0 HB1 XR2 A 21 4.746 -0.609 -0.454 1.00 0.27 H new HETATM 0 HA2 XR2 A 21 5.059 -2.871 -1.826 1.00 0.22 H new HETATM 0 HA1 XR2 A 21 5.267 -1.363 -2.694 1.00 0.22 H new HETATM 0 H93 XR2 A 21 0.455 -5.504 0.805 1.00 0.22 H new HETATM 0 H92 XR2 A 21 0.320 -3.794 1.279 1.00 0.22 H new HETATM 0 H91 XR2 A 21 -0.539 -5.046 2.209 1.00 0.22 H new HETATM 0 H8' XR2 A 21 1.109 7.312 -4.426 1.00 0.17 H new HETATM 0 H8 XR2 A 21 -2.784 -5.126 1.842 1.00 0.18 H new HETATM 0 H7' XR2 A 21 -1.334 7.613 -4.726 1.00 0.15 H new HETATM 0 H7 XR2 A 21 -4.791 -4.914 0.399 1.00 0.16 H new HETATM 0 H6' XR2 A 21 -2.884 7.072 -2.858 1.00 0.15 H new HETATM 0 H6 XR2 A 21 -4.536 -4.229 -1.978 1.00 0.16 H new HETATM 0 H4' XR2 A 21 -3.728 5.638 1.439 1.00 0.16 H new HETATM 0 H4 XR2 A 21 -1.966 -3.009 -5.601 1.00 0.16 H new HETATM 0 H3' XR2 A 21 -2.967 4.812 3.662 1.00 0.16 H new HETATM 0 H3 XR2 A 21 0.231 -2.531 -6.663 1.00 0.17 H new HETATM 0 H2' XR2 A 21 -0.542 4.502 4.080 1.00 0.16 H new HETATM 0 H2 XR2 A 21 2.305 -2.741 -5.325 1.00 0.17 H new HETATM 0 H10 XR2 A 21 0.810 -4.021 -1.038 1.00 0.17 H new