USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 152 hydrogens (56 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: B 4 MCY O5' : rot -26:sc= 0.507 USER MOD Set 1.2: C 9 DT O3' : rot 54:sc= 0.186 USER MOD Set 2.1: B 6 DT O3' : rot 180:sc= 0.361 USER MOD Set 2.2: C 7 MCY O5' : rot -77:sc= 0.396 USER MOD Single : A 1 MCY O5' : rot 180:sc= -0.175 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 3 DT O3' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 10 MCY O5' : rot 15:sc= 0.39 USER MOD Single : D 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : D 12 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 N1 MCY A 1 3.299 -4.515 1.877 1.00 0.00 N HETATM 2 C2 MCY A 1 2.370 -4.654 0.876 1.00 0.00 C HETATM 3 N3 MCY A 1 1.086 -4.884 1.242 1.00 0.00 N HETATM 4 C4 MCY A 1 0.727 -4.979 2.532 1.00 0.00 C HETATM 5 C5 MCY A 1 1.654 -4.843 3.504 1.00 0.00 C HETATM 6 C6 MCY A 1 2.931 -4.611 3.173 1.00 0.00 C HETATM 7 O2 MCY A 1 2.706 -4.578 -0.303 1.00 0.00 O HETATM 8 N4 MCY A 1 -0.548 -5.214 2.845 1.00 0.00 N HETATM 9 C1' MCY A 1 4.702 -4.264 1.498 1.00 0.00 C HETATM 10 C2' MCY A 1 5.333 -3.212 2.400 1.00 0.00 C HETATM 11 C3' MCY A 1 6.478 -3.882 3.120 1.00 0.00 C HETATM 12 C4' MCY A 1 6.541 -5.306 2.579 1.00 0.00 C HETATM 13 O4' MCY A 1 5.481 -5.473 1.611 1.00 0.00 O HETATM 14 O3' MCY A 1 7.712 -3.194 2.881 1.00 0.00 O HETATM 15 C5' MCY A 1 6.400 -6.324 3.708 1.00 0.00 C HETATM 16 O5' MCY A 1 5.031 -6.516 4.073 1.00 0.00 O HETATM 17 C5A MCY A 1 1.257 -4.962 4.973 1.00 0.00 C HETATM 0 HO5' MCY A 1 4.975 -7.174 4.797 1.00 0.00 H new HETATM 0 HN42 MCY A 1 -0.828 -5.287 3.823 1.00 0.00 H new HETATM 0 HN41 MCY A 1 -1.243 -5.320 2.106 1.00 0.00 H new HETATM 0 H5A3 MCY A 1 0.517 -4.199 5.213 1.00 0.00 H new HETATM 0 H5A2 MCY A 1 0.833 -5.949 5.156 1.00 0.00 H new HETATM 0 H5A1 MCY A 1 2.138 -4.823 5.600 1.00 0.00 H new HETATM 0 H5'' MCY A 1 6.832 -7.275 3.397 1.00 0.00 H new HETATM 0 H2'' MCY A 1 5.688 -2.364 1.814 1.00 0.00 H new HETATM 0 H6 MCY A 1 3.680 -4.499 3.957 1.00 0.00 H new HETATM 0 H5' MCY A 1 6.965 -5.986 4.577 1.00 0.00 H new HETATM 0 H4' MCY A 1 7.508 -5.475 2.106 1.00 0.00 H new HETATM 0 H3' MCY A 1 6.323 -3.871 4.199 1.00 0.00 H new HETATM 0 H2' MCY A 1 4.603 -2.825 3.111 1.00 0.00 H new HETATM 0 H1' MCY A 1 4.699 -3.911 0.467 1.00 0.00 H new ATOM 32 P DC A 2 7.955 -1.711 3.464 1.00 0.00 P ATOM 33 OP1 DC A 2 9.372 -1.351 3.238 1.00 0.00 O ATOM 34 OP2 DC A 2 7.385 -1.648 4.829 1.00 0.00 O ATOM 35 O5' DC A 2 7.044 -0.808 2.491 1.00 0.00 O ATOM 36 C5' DC A 2 6.323 0.319 2.995 1.00 0.00 C ATOM 37 C4' DC A 2 6.118 1.369 1.910 1.00 0.00 C ATOM 38 O4' DC A 2 4.868 1.160 1.220 1.00 0.00 O ATOM 39 C3' DC A 2 6.110 2.771 2.497 1.00 0.00 C ATOM 40 O3' DC A 2 7.311 3.471 2.154 1.00 0.00 O ATOM 41 C2' DC A 2 4.897 3.452 1.919 1.00 0.00 C ATOM 42 C1' DC A 2 4.119 2.390 1.153 1.00 0.00 C ATOM 43 N1 DC A 2 2.747 2.191 1.682 1.00 0.00 N ATOM 44 C2 DC A 2 1.793 1.770 0.762 1.00 0.00 C ATOM 45 O2 DC A 2 2.068 1.567 -0.419 1.00 0.00 O ATOM 46 N3 DC A 2 0.520 1.582 1.252 1.00 0.00 N ATOM 47 C4 DC A 2 0.184 1.790 2.554 1.00 0.00 C ATOM 48 N4 DC A 2 -1.073 1.536 2.920 1.00 0.00 N ATOM 49 C5 DC A 2 1.170 2.221 3.486 1.00 0.00 C ATOM 50 C6 DC A 2 2.435 2.407 3.015 1.00 0.00 C ATOM 0 H5' DC A 2 6.866 0.758 3.832 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.356 -0.006 3.378 1.00 0.00 H new ATOM 0 H4' DC A 2 6.949 1.269 1.211 1.00 0.00 H new ATOM 0 H3' DC A 2 6.068 2.751 3.586 1.00 0.00 H new ATOM 0 H2' DC A 2 4.284 3.886 2.709 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.190 4.268 1.259 1.00 0.00 H new ATOM 0 H1' DC A 2 3.999 2.720 0.121 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.361 1.680 3.888 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.746 1.198 2.232 1.00 0.00 H new ATOM 0 H5 DC A 2 0.925 2.393 4.524 1.00 0.00 H new ATOM 0 H6 DC A 2 3.210 2.729 3.694 1.00 0.00 H new ATOM 62 P DT A 3 7.647 4.906 2.804 1.00 0.00 P ATOM 63 OP1 DT A 3 9.102 5.142 2.674 1.00 0.00 O ATOM 64 OP2 DT A 3 7.004 4.976 4.136 1.00 0.00 O ATOM 65 O5' DT A 3 6.882 5.920 1.813 1.00 0.00 O ATOM 66 C5' DT A 3 5.861 6.791 2.305 1.00 0.00 C ATOM 67 C4' DT A 3 5.031 7.374 1.162 1.00 0.00 C ATOM 68 O4' DT A 3 3.634 7.042 1.310 1.00 0.00 O ATOM 69 C3' DT A 3 5.151 8.891 1.106 1.00 0.00 C ATOM 70 O3' DT A 3 5.949 9.297 -0.010 1.00 0.00 O ATOM 71 C2' DT A 3 3.743 9.413 0.979 1.00 0.00 C ATOM 72 C1' DT A 3 2.816 8.211 1.085 1.00 0.00 C ATOM 73 N1 DT A 3 1.833 8.387 2.179 1.00 0.00 N ATOM 74 C2 DT A 3 0.508 8.105 1.895 1.00 0.00 C ATOM 75 O2 DT A 3 0.142 7.735 0.782 1.00 0.00 O ATOM 76 N3 DT A 3 -0.385 8.261 2.938 1.00 0.00 N ATOM 77 C4 DT A 3 -0.075 8.670 4.223 1.00 0.00 C ATOM 78 O4 DT A 3 -0.954 8.773 5.076 1.00 0.00 O ATOM 79 C5 DT A 3 1.331 8.944 4.429 1.00 0.00 C ATOM 80 C7 DT A 3 1.815 9.399 5.804 1.00 0.00 C ATOM 81 C6 DT A 3 2.222 8.800 3.427 1.00 0.00 C ATOM 0 H5' DT A 3 6.315 7.600 2.877 1.00 0.00 H new ATOM 0 H5'' DT A 3 5.211 6.244 2.987 1.00 0.00 H new ATOM 0 H4' DT A 3 5.422 6.939 0.242 1.00 0.00 H new ATOM 0 H3' DT A 3 5.641 9.285 1.996 1.00 0.00 H new ATOM 0 H2' DT A 3 3.527 10.138 1.764 1.00 0.00 H new ATOM 0 H2'' DT A 3 3.605 9.925 0.026 1.00 0.00 H new ATOM 0 HO3' DT A 3 6.012 10.275 -0.029 1.00 0.00 H new ATOM 0 H1' DT A 3 2.244 8.100 0.164 1.00 0.00 H new ATOM 0 H3 DT A 3 -1.365 8.055 2.742 1.00 0.00 H new ATOM 0 H71 DT A 3 2.840 9.061 5.959 1.00 0.00 H new ATOM 0 H72 DT A 3 1.779 10.487 5.861 1.00 0.00 H new ATOM 0 H73 DT A 3 1.172 8.974 6.575 1.00 0.00 H new ATOM 0 H6 DT A 3 3.264 9.015 3.612 1.00 0.00 H new TER 95 DT A 3 HETATM 96 N1 MCY B 4 -2.911 4.586 1.746 1.00 0.00 N HETATM 97 C2 MCY B 4 -1.985 4.793 0.749 1.00 0.00 C HETATM 98 N3 MCY B 4 -0.703 5.041 1.128 1.00 0.00 N HETATM 99 C4 MCY B 4 -0.350 5.086 2.426 1.00 0.00 C HETATM 100 C5 MCY B 4 -1.273 4.883 3.386 1.00 0.00 C HETATM 101 C6 MCY B 4 -2.542 4.632 3.044 1.00 0.00 C HETATM 102 O2 MCY B 4 -2.320 4.759 -0.436 1.00 0.00 O HETATM 103 N4 MCY B 4 0.915 5.341 2.758 1.00 0.00 N HETATM 104 C1' MCY B 4 -4.311 4.313 1.360 1.00 0.00 C HETATM 105 C2' MCY B 4 -4.941 3.270 2.276 1.00 0.00 C HETATM 106 C3' MCY B 4 -6.126 3.931 2.934 1.00 0.00 C HETATM 107 C4' MCY B 4 -6.297 5.271 2.229 1.00 0.00 C HETATM 108 O4' MCY B 4 -5.110 5.512 1.441 1.00 0.00 O HETATM 109 O3' MCY B 4 -7.302 3.126 2.801 1.00 0.00 O HETATM 110 C5' MCY B 4 -6.534 6.408 3.224 1.00 0.00 C HETATM 111 O5' MCY B 4 -5.742 7.557 2.908 1.00 0.00 O HETATM 112 C5A MCY B 4 -0.878 4.945 4.861 1.00 0.00 C HETATM 0 HO5' MCY B 4 -4.941 7.277 2.418 1.00 0.00 H new HETATM 0 HN42 MCY B 4 1.187 5.376 3.740 1.00 0.00 H new HETATM 0 HN41 MCY B 4 1.611 5.501 2.030 1.00 0.00 H new HETATM 0 H5A3 MCY B 4 -0.119 4.190 5.066 1.00 0.00 H new HETATM 0 H5A2 MCY B 4 -0.478 5.933 5.089 1.00 0.00 H new HETATM 0 H5A1 MCY B 4 -1.755 4.756 5.481 1.00 0.00 H new HETATM 0 H5'' MCY B 4 -7.589 6.681 3.221 1.00 0.00 H new HETATM 0 H2'' MCY B 4 -5.253 2.394 1.708 1.00 0.00 H new HETATM 0 H6 MCY B 4 -3.286 4.463 3.822 1.00 0.00 H new HETATM 0 H5' MCY B 4 -6.296 6.067 4.231 1.00 0.00 H new HETATM 0 H4' MCY B 4 -7.177 5.236 1.587 1.00 0.00 H new HETATM 0 H3' MCY B 4 -5.966 4.062 4.004 1.00 0.00 H new HETATM 0 H2' MCY B 4 -4.225 2.927 3.023 1.00 0.00 H new HETATM 0 H1' MCY B 4 -4.289 3.943 0.335 1.00 0.00 H new ATOM 127 P DC B 5 -7.568 1.888 3.799 1.00 0.00 P ATOM 128 OP1 DC B 5 -9.019 1.832 4.087 1.00 0.00 O ATOM 129 OP2 DC B 5 -6.598 1.972 4.915 1.00 0.00 O ATOM 130 O5' DC B 5 -7.187 0.616 2.886 1.00 0.00 O ATOM 131 C5' DC B 5 -6.004 -0.149 3.145 1.00 0.00 C ATOM 132 C4' DC B 5 -5.770 -1.192 2.053 1.00 0.00 C ATOM 133 O4' DC B 5 -4.507 -0.969 1.388 1.00 0.00 O ATOM 134 C3' DC B 5 -5.761 -2.603 2.627 1.00 0.00 C ATOM 135 O3' DC B 5 -6.957 -3.305 2.268 1.00 0.00 O ATOM 136 C2' DC B 5 -4.543 -3.275 2.051 1.00 0.00 C ATOM 137 C1' DC B 5 -3.751 -2.195 1.323 1.00 0.00 C ATOM 138 N1 DC B 5 -2.397 -1.996 1.873 1.00 0.00 N ATOM 139 C2 DC B 5 -1.462 -1.474 0.989 1.00 0.00 C ATOM 140 O2 DC B 5 -1.755 -1.173 -0.170 1.00 0.00 O ATOM 141 N3 DC B 5 -0.188 -1.321 1.481 1.00 0.00 N ATOM 142 C4 DC B 5 0.166 -1.657 2.751 1.00 0.00 C ATOM 143 N4 DC B 5 1.434 -1.460 3.112 1.00 0.00 N ATOM 144 C5 DC B 5 -0.805 -2.187 3.647 1.00 0.00 C ATOM 145 C6 DC B 5 -2.073 -2.338 3.170 1.00 0.00 C ATOM 0 H5' DC B 5 -6.093 -0.645 4.112 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.143 0.517 3.206 1.00 0.00 H new ATOM 0 H4' DC B 5 -6.590 -1.091 1.342 1.00 0.00 H new ATOM 0 H3' DC B 5 -5.727 -2.592 3.716 1.00 0.00 H new ATOM 0 H2' DC B 5 -3.943 -3.730 2.839 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.829 -4.073 1.366 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.606 -2.514 0.291 1.00 0.00 H new ATOM 0 H41 DC B 5 1.739 -1.699 4.056 1.00 0.00 H new ATOM 0 H42 DC B 5 2.100 -1.070 2.445 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.548 -2.458 4.661 1.00 0.00 H new ATOM 0 H6 DC B 5 -2.839 -2.733 3.820 1.00 0.00 H new ATOM 157 P DT B 6 -7.392 -4.651 3.041 1.00 0.00 P ATOM 158 OP1 DT B 6 -8.870 -4.722 3.048 1.00 0.00 O ATOM 159 OP2 DT B 6 -6.644 -4.719 4.317 1.00 0.00 O ATOM 160 O5' DT B 6 -6.840 -5.807 2.063 1.00 0.00 O ATOM 161 C5' DT B 6 -5.876 -6.759 2.524 1.00 0.00 C ATOM 162 C4' DT B 6 -5.073 -7.342 1.362 1.00 0.00 C ATOM 163 O4' DT B 6 -3.669 -7.039 1.504 1.00 0.00 O ATOM 164 C3' DT B 6 -5.226 -8.856 1.285 1.00 0.00 C ATOM 165 O3' DT B 6 -6.020 -9.234 0.155 1.00 0.00 O ATOM 166 C2' DT B 6 -3.828 -9.408 1.170 1.00 0.00 C ATOM 167 C1' DT B 6 -2.875 -8.229 1.310 1.00 0.00 C ATOM 168 N1 DT B 6 -1.932 -8.422 2.438 1.00 0.00 N ATOM 169 C2 DT B 6 -0.609 -8.075 2.225 1.00 0.00 C ATOM 170 O2 DT B 6 -0.216 -7.623 1.153 1.00 0.00 O ATOM 171 N3 DT B 6 0.248 -8.255 3.295 1.00 0.00 N ATOM 172 C4 DT B 6 -0.096 -8.744 4.542 1.00 0.00 C ATOM 173 O4 DT B 6 0.752 -8.859 5.424 1.00 0.00 O ATOM 174 C5 DT B 6 -1.497 -9.080 4.677 1.00 0.00 C ATOM 175 C7 DT B 6 -2.014 -9.625 6.006 1.00 0.00 C ATOM 176 C6 DT B 6 -2.354 -8.916 3.648 1.00 0.00 C ATOM 0 H5' DT B 6 -6.382 -7.563 3.059 1.00 0.00 H new ATOM 0 H5'' DT B 6 -5.200 -6.281 3.233 1.00 0.00 H new ATOM 0 H4' DT B 6 -5.464 -6.889 0.451 1.00 0.00 H new ATOM 0 H3' DT B 6 -5.737 -9.248 2.164 1.00 0.00 H new ATOM 0 H2' DT B 6 -3.641 -10.150 1.946 1.00 0.00 H new ATOM 0 H2'' DT B 6 -3.687 -9.907 0.211 1.00 0.00 H new ATOM 0 HO3' DT B 6 -6.103 -10.210 0.125 1.00 0.00 H new ATOM 0 H1' DT B 6 -2.269 -8.139 0.409 1.00 0.00 H new ATOM 0 H3 DT B 6 1.226 -8.003 3.151 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.056 -9.334 6.138 1.00 0.00 H new ATOM 0 H72 DT B 6 -1.938 -10.712 6.008 1.00 0.00 H new ATOM 0 H73 DT B 6 -1.418 -9.218 6.823 1.00 0.00 H new ATOM 0 H6 DT B 6 -3.393 -9.179 3.778 1.00 0.00 H new TER 190 DT B 6 HETATM 191 N1 MCY C 7 -2.637 -4.822 -1.718 1.00 0.00 N HETATM 192 C2 MCY C 7 -1.780 -4.825 -0.636 1.00 0.00 C HETATM 193 N3 MCY C 7 -0.463 -5.049 -0.886 1.00 0.00 N HETATM 194 C4 MCY C 7 -0.006 -5.261 -2.133 1.00 0.00 C HETATM 195 C5 MCY C 7 -0.860 -5.261 -3.173 1.00 0.00 C HETATM 196 C6 MCY C 7 -2.163 -5.046 -2.962 1.00 0.00 C HETATM 197 O2 MCY C 7 -2.201 -4.651 0.507 1.00 0.00 O HETATM 198 N4 MCY C 7 1.296 -5.469 -2.335 1.00 0.00 N HETATM 199 C1' MCY C 7 -4.072 -4.528 -1.500 1.00 0.00 C HETATM 200 C2' MCY C 7 -4.676 -3.816 -2.720 1.00 0.00 C HETATM 201 C3' MCY C 7 -5.841 -4.658 -3.179 1.00 0.00 C HETATM 202 C4' MCY C 7 -5.926 -5.829 -2.204 1.00 0.00 C HETATM 203 O4' MCY C 7 -4.813 -5.745 -1.289 1.00 0.00 O HETATM 204 O3' MCY C 7 -7.061 -3.904 -3.173 1.00 0.00 O HETATM 205 C5' MCY C 7 -5.913 -7.167 -2.940 1.00 0.00 C HETATM 206 O5' MCY C 7 -6.950 -8.031 -2.469 1.00 0.00 O HETATM 207 C5A MCY C 7 -0.345 -5.477 -4.593 1.00 0.00 C HETATM 0 HO5' MCY C 7 -6.684 -8.425 -1.612 1.00 0.00 H new HETATM 0 HN42 MCY C 7 1.646 -5.630 -3.279 1.00 0.00 H new HETATM 0 HN41 MCY C 7 1.941 -5.467 -1.545 1.00 0.00 H new HETATM 0 H5A3 MCY C 7 0.370 -4.693 -4.844 1.00 0.00 H new HETATM 0 H5A2 MCY C 7 0.144 -6.449 -4.659 1.00 0.00 H new HETATM 0 H5A1 MCY C 7 -1.181 -5.443 -5.292 1.00 0.00 H new HETATM 0 H5'' MCY C 7 -6.037 -6.997 -4.010 1.00 0.00 H new HETATM 0 H2'' MCY C 7 -5.005 -2.810 -2.458 1.00 0.00 H new HETATM 0 H6 MCY C 7 -2.852 -5.052 -3.807 1.00 0.00 H new HETATM 0 H5' MCY C 7 -4.945 -7.650 -2.804 1.00 0.00 H new HETATM 0 H4' MCY C 7 -6.866 -5.772 -1.656 1.00 0.00 H new HETATM 0 H3' MCY C 7 -5.696 -5.000 -4.204 1.00 0.00 H new HETATM 0 H2' MCY C 7 -3.936 -3.713 -3.514 1.00 0.00 H new HETATM 0 H1' MCY C 7 -4.140 -3.887 -0.621 1.00 0.00 H new ATOM 222 P DC C 8 -7.228 -2.577 -4.075 1.00 0.00 P ATOM 223 OP1 DC C 8 -8.639 -2.492 -4.515 1.00 0.00 O ATOM 224 OP2 DC C 8 -6.140 -2.554 -5.079 1.00 0.00 O ATOM 225 O5' DC C 8 -6.963 -1.399 -3.008 1.00 0.00 O ATOM 226 C5' DC C 8 -6.088 -0.310 -3.320 1.00 0.00 C ATOM 227 C4' DC C 8 -6.054 0.717 -2.190 1.00 0.00 C ATOM 228 O4' DC C 8 -4.809 0.637 -1.461 1.00 0.00 O ATOM 229 C3' DC C 8 -6.200 2.135 -2.727 1.00 0.00 C ATOM 230 O3' DC C 8 -7.472 2.690 -2.376 1.00 0.00 O ATOM 231 C2' DC C 8 -5.079 2.928 -2.111 1.00 0.00 C ATOM 232 C1' DC C 8 -4.210 1.944 -1.340 1.00 0.00 C ATOM 233 N1 DC C 8 -2.811 1.927 -1.832 1.00 0.00 N ATOM 234 C2 DC C 8 -1.818 1.703 -0.890 1.00 0.00 C ATOM 235 O2 DC C 8 -2.112 1.550 0.298 1.00 0.00 O ATOM 236 N3 DC C 8 -0.524 1.658 -1.311 1.00 0.00 N ATOM 237 C4 DC C 8 -0.210 1.826 -2.600 1.00 0.00 C ATOM 238 N4 DC C 8 1.064 1.730 -2.984 1.00 0.00 N ATOM 239 C5 DC C 8 -1.223 2.064 -3.577 1.00 0.00 C ATOM 240 C6 DC C 8 -2.506 2.105 -3.155 1.00 0.00 C ATOM 0 H5' DC C 8 -6.417 0.171 -4.241 1.00 0.00 H new ATOM 0 H5'' DC C 8 -5.082 -0.689 -3.500 1.00 0.00 H new ATOM 0 H4' DC C 8 -6.890 0.489 -1.529 1.00 0.00 H new ATOM 0 H3' DC C 8 -6.148 2.153 -3.816 1.00 0.00 H new ATOM 0 H2' DC C 8 -4.497 3.436 -2.880 1.00 0.00 H new ATOM 0 H2'' DC C 8 -5.471 3.699 -1.447 1.00 0.00 H new ATOM 0 H1' DC C 8 -4.162 2.251 -0.295 1.00 0.00 H new ATOM 0 H41 DC C 8 1.312 1.857 -3.965 1.00 0.00 H new ATOM 0 H42 DC C 8 1.790 1.530 -2.296 1.00 0.00 H new ATOM 0 H5 DC C 8 -0.973 2.206 -4.618 1.00 0.00 H new ATOM 0 H6 DC C 8 -3.298 2.280 -3.868 1.00 0.00 H new ATOM 252 P DT C 9 -8.021 4.017 -3.108 1.00 0.00 P ATOM 253 OP1 DT C 9 -9.368 4.314 -2.571 1.00 0.00 O ATOM 254 OP2 DT C 9 -7.829 3.855 -4.566 1.00 0.00 O ATOM 255 O5' DT C 9 -7.003 5.157 -2.589 1.00 0.00 O ATOM 256 C5' DT C 9 -7.483 6.277 -1.838 1.00 0.00 C ATOM 257 C4' DT C 9 -6.396 6.870 -0.936 1.00 0.00 C ATOM 258 O4' DT C 9 -5.068 6.573 -1.423 1.00 0.00 O ATOM 259 C3' DT C 9 -6.515 8.383 -0.835 1.00 0.00 C ATOM 260 O3' DT C 9 -7.162 8.768 0.381 1.00 0.00 O ATOM 261 C2' DT C 9 -5.101 8.905 -0.885 1.00 0.00 C ATOM 262 C1' DT C 9 -4.209 7.716 -1.209 1.00 0.00 C ATOM 263 N1 DT C 9 -3.370 7.991 -2.398 1.00 0.00 N ATOM 264 C2 DT C 9 -2.006 7.796 -2.275 1.00 0.00 C ATOM 265 O2 DT C 9 -1.492 7.402 -1.231 1.00 0.00 O ATOM 266 N3 DT C 9 -1.249 8.068 -3.399 1.00 0.00 N ATOM 267 C4 DT C 9 -1.730 8.509 -4.619 1.00 0.00 C ATOM 268 O4 DT C 9 -0.962 8.716 -5.556 1.00 0.00 O ATOM 269 C5 DT C 9 -3.166 8.685 -4.655 1.00 0.00 C ATOM 270 C7 DT C 9 -3.831 9.166 -5.943 1.00 0.00 C ATOM 271 C6 DT C 9 -3.926 8.428 -3.571 1.00 0.00 C ATOM 0 H5' DT C 9 -8.332 5.968 -1.228 1.00 0.00 H new ATOM 0 H5'' DT C 9 -7.845 7.044 -2.522 1.00 0.00 H new ATOM 0 H4' DT C 9 -6.545 6.412 0.042 1.00 0.00 H new ATOM 0 H3' DT C 9 -7.122 8.791 -1.643 1.00 0.00 H new ATOM 0 H2' DT C 9 -5.002 9.682 -1.643 1.00 0.00 H new ATOM 0 H2'' DT C 9 -4.819 9.352 0.068 1.00 0.00 H new ATOM 0 HO3' DT C 9 -6.701 8.357 1.141 1.00 0.00 H new ATOM 0 H1' DT C 9 -3.523 7.519 -0.385 1.00 0.00 H new ATOM 0 H3 DT C 9 -0.241 7.931 -3.322 1.00 0.00 H new ATOM 0 H71 DT C 9 -4.840 8.760 -6.005 1.00 0.00 H new ATOM 0 H72 DT C 9 -3.878 10.255 -5.944 1.00 0.00 H new ATOM 0 H73 DT C 9 -3.250 8.827 -6.801 1.00 0.00 H new ATOM 0 H6 DT C 9 -4.995 8.570 -3.629 1.00 0.00 H new TER 285 DT C 9 HETATM 286 N1 MCY D 10 2.538 4.891 -1.954 1.00 0.00 N HETATM 287 C2 MCY D 10 1.573 4.956 -0.976 1.00 0.00 C HETATM 288 N3 MCY D 10 0.278 5.030 -1.380 1.00 0.00 N HETATM 289 C4 MCY D 10 -0.051 5.042 -2.683 1.00 0.00 C HETATM 290 C5 MCY D 10 0.909 4.981 -3.627 1.00 0.00 C HETATM 291 C6 MCY D 10 2.194 4.903 -3.260 1.00 0.00 C HETATM 292 O2 MCY D 10 1.886 4.953 0.213 1.00 0.00 O HETATM 293 N4 MCY D 10 -1.331 5.118 -3.038 1.00 0.00 N HETATM 294 C1' MCY D 10 3.951 4.807 -1.539 1.00 0.00 C HETATM 295 C2' MCY D 10 4.728 3.862 -2.445 1.00 0.00 C HETATM 296 C3' MCY D 10 5.799 4.683 -3.116 1.00 0.00 C HETATM 297 C4' MCY D 10 5.731 6.065 -2.475 1.00 0.00 C HETATM 298 O4' MCY D 10 4.582 6.102 -1.600 1.00 0.00 O HETATM 299 O3' MCY D 10 7.091 4.092 -2.931 1.00 0.00 O HETATM 300 C5' MCY D 10 5.636 7.164 -3.535 1.00 0.00 C HETATM 301 O5' MCY D 10 4.334 7.756 -3.563 1.00 0.00 O HETATM 302 C5A MCY D 10 0.538 5.011 -5.109 1.00 0.00 C HETATM 0 HO5' MCY D 10 3.843 7.504 -2.753 1.00 0.00 H new HETATM 0 HN42 MCY D 10 -1.587 5.128 -4.025 1.00 0.00 H new HETATM 0 HN41 MCY D 10 -2.057 5.167 -2.323 1.00 0.00 H new HETATM 0 H5A3 MCY D 10 -0.107 4.163 -5.340 1.00 0.00 H new HETATM 0 H5A2 MCY D 10 0.012 5.939 -5.334 1.00 0.00 H new HETATM 0 H5A1 MCY D 10 1.444 4.952 -5.712 1.00 0.00 H new HETATM 0 H5'' MCY D 10 6.382 7.932 -3.331 1.00 0.00 H new HETATM 0 H2'' MCY D 10 5.169 3.049 -1.868 1.00 0.00 H new HETATM 0 H6 MCY D 10 2.971 4.849 -4.023 1.00 0.00 H new HETATM 0 H5' MCY D 10 5.868 6.747 -4.515 1.00 0.00 H new HETATM 0 H4' MCY D 10 6.643 6.247 -1.906 1.00 0.00 H new HETATM 0 H3' MCY D 10 5.640 4.738 -4.193 1.00 0.00 H new HETATM 0 H2' MCY D 10 4.069 3.407 -3.185 1.00 0.00 H new HETATM 0 H1' MCY D 10 3.962 4.434 -0.515 1.00 0.00 H new ATOM 317 P DC D 11 7.430 2.647 -3.563 1.00 0.00 P ATOM 318 OP1 DC D 11 8.877 2.392 -3.383 1.00 0.00 O ATOM 319 OP2 DC D 11 6.832 2.579 -4.916 1.00 0.00 O ATOM 320 O5' DC D 11 6.617 1.646 -2.596 1.00 0.00 O ATOM 321 C5' DC D 11 6.020 0.449 -3.107 1.00 0.00 C ATOM 322 C4' DC D 11 5.982 -0.644 -2.041 1.00 0.00 C ATOM 323 O4' DC D 11 4.725 -0.631 -1.331 1.00 0.00 O ATOM 324 C3' DC D 11 6.165 -2.023 -2.657 1.00 0.00 C ATOM 325 O3' DC D 11 7.470 -2.537 -2.368 1.00 0.00 O ATOM 326 C2' DC D 11 5.091 -2.890 -2.049 1.00 0.00 C ATOM 327 C1' DC D 11 4.194 -1.969 -1.231 1.00 0.00 C ATOM 328 N1 DC D 11 2.785 -2.006 -1.690 1.00 0.00 N ATOM 329 C2 DC D 11 1.808 -1.828 -0.725 1.00 0.00 C ATOM 330 O2 DC D 11 2.129 -1.656 0.456 1.00 0.00 O ATOM 331 N3 DC D 11 0.503 -1.837 -1.117 1.00 0.00 N ATOM 332 C4 DC D 11 0.165 -2.009 -2.400 1.00 0.00 C ATOM 333 N4 DC D 11 -1.125 -1.954 -2.763 1.00 0.00 N ATOM 334 C5 DC D 11 1.170 -2.197 -3.400 1.00 0.00 C ATOM 335 C6 DC D 11 2.462 -2.189 -3.003 1.00 0.00 C ATOM 0 H5' DC D 11 6.583 0.098 -3.972 1.00 0.00 H new ATOM 0 H5'' DC D 11 5.008 0.662 -3.451 1.00 0.00 H new ATOM 0 H4' DC D 11 6.801 -0.439 -1.351 1.00 0.00 H new ATOM 0 H3' DC D 11 6.080 -1.994 -3.743 1.00 0.00 H new ATOM 0 H2' DC D 11 4.519 -3.398 -2.825 1.00 0.00 H new ATOM 0 H2'' DC D 11 5.529 -3.663 -1.418 1.00 0.00 H new ATOM 0 H1' DC D 11 4.187 -2.306 -0.194 1.00 0.00 H new ATOM 0 H41 DC D 11 -1.386 -2.085 -3.740 1.00 0.00 H new ATOM 0 H42 DC D 11 -1.845 -1.781 -2.062 1.00 0.00 H new ATOM 0 H5 DC D 11 0.906 -2.341 -4.437 1.00 0.00 H new ATOM 0 H6 DC D 11 3.246 -2.329 -3.732 1.00 0.00 H new ATOM 347 P DT D 12 8.017 -3.868 -3.093 1.00 0.00 P ATOM 348 OP1 DT D 12 9.495 -3.851 -3.032 1.00 0.00 O ATOM 349 OP2 DT D 12 7.334 -4.001 -4.400 1.00 0.00 O ATOM 350 O5' DT D 12 7.487 -5.035 -2.117 1.00 0.00 O ATOM 351 C5' DT D 12 6.636 -6.074 -2.609 1.00 0.00 C ATOM 352 C4' DT D 12 6.017 -6.873 -1.463 1.00 0.00 C ATOM 353 O4' DT D 12 4.575 -6.801 -1.500 1.00 0.00 O ATOM 354 C3' DT D 12 6.418 -8.341 -1.529 1.00 0.00 C ATOM 355 O3' DT D 12 7.356 -8.662 -0.498 1.00 0.00 O ATOM 356 C2' DT D 12 5.142 -9.126 -1.361 1.00 0.00 C ATOM 357 C1' DT D 12 4.003 -8.117 -1.335 1.00 0.00 C ATOM 358 N1 DT D 12 3.008 -8.398 -2.398 1.00 0.00 N ATOM 359 C2 DT D 12 1.671 -8.346 -2.046 1.00 0.00 C ATOM 360 O2 DT D 12 1.305 -8.093 -0.901 1.00 0.00 O ATOM 361 N3 DT D 12 0.764 -8.596 -3.058 1.00 0.00 N ATOM 362 C4 DT D 12 1.071 -8.890 -4.374 1.00 0.00 C ATOM 363 O4 DT D 12 0.179 -9.094 -5.194 1.00 0.00 O ATOM 364 C5 DT D 12 2.490 -8.925 -4.653 1.00 0.00 C ATOM 365 C7 DT D 12 2.971 -9.235 -6.068 1.00 0.00 C ATOM 366 C6 DT D 12 3.396 -8.685 -3.682 1.00 0.00 C ATOM 0 H5' DT D 12 7.208 -6.742 -3.253 1.00 0.00 H new ATOM 0 H5'' DT D 12 5.846 -5.640 -3.221 1.00 0.00 H new ATOM 0 H4' DT D 12 6.390 -6.432 -0.539 1.00 0.00 H new ATOM 0 H3' DT D 12 6.908 -8.577 -2.474 1.00 0.00 H new ATOM 0 H2' DT D 12 5.013 -9.833 -2.180 1.00 0.00 H new ATOM 0 H2'' DT D 12 5.164 -9.707 -0.439 1.00 0.00 H new ATOM 0 HO3' DT D 12 7.598 -9.610 -0.559 1.00 0.00 H new ATOM 0 H1' DT D 12 3.473 -8.183 -0.385 1.00 0.00 H new ATOM 0 H3 DT D 12 -0.225 -8.560 -2.811 1.00 0.00 H new ATOM 0 H71 DT D 12 3.920 -8.730 -6.248 1.00 0.00 H new ATOM 0 H72 DT D 12 3.105 -10.311 -6.179 1.00 0.00 H new ATOM 0 H73 DT D 12 2.231 -8.885 -6.788 1.00 0.00 H new ATOM 0 H6 DT D 12 4.449 -8.720 -3.921 1.00 0.00 H new TER 380 DT D 12