USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 252 hydrogens (58 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 NoAdj-H: C 1 DSN H2 : C 1 DSN N : C 0 HQU C :(H bumps) USER MOD NoAdj-H: C 1 DSN H : C 1 DSN N : C 0 HQU C :(H bumps) USER MOD NoAdj-H: C 3 NYB HB2 : C 3 NYB CB : C 7 NCY SG :(H bumps) USER MOD NoAdj-H: C 3 NYB H : C 3 NYB N : C 2 ALA C :(H bumps) USER MOD NoAdj-H: C 4 CPC H : C 4 CPC N : C 3 NYB C :(H bumps) USER MOD NoAdj-H: C 5 DSN H2 : C 5 DSN N : C 9 HQU C :(H bumps) USER MOD NoAdj-H: C 5 DSN H : C 5 DSN N : C 9 HQU C :(H bumps) USER MOD NoAdj-H: C 7 NCY H : C 7 NCY N : C 6 ALA C :(H bumps) USER MOD NoAdj-H: C 8 CPC H : C 8 CPC N : C 7 NCY C :(H bumps) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD Single : C 0 HQU O3 : rot 100:sc= 1.34 USER MOD Single : C 9 HQU O3 : rot 86:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.429 -15.249 -0.229 1.00 0.59 O ATOM 2 C5' DA A 1 -2.384 -15.523 0.708 1.00 0.64 C ATOM 3 C4' DA A 1 -2.847 -15.169 2.129 1.00 0.51 C ATOM 4 O4' DA A 1 -1.812 -15.406 3.125 1.00 0.63 O ATOM 5 C3' DA A 1 -3.306 -13.696 2.296 1.00 0.39 C ATOM 6 O3' DA A 1 -4.689 -13.657 2.676 1.00 0.36 O ATOM 7 C2' DA A 1 -2.372 -13.181 3.408 1.00 0.43 C ATOM 8 C1' DA A 1 -1.882 -14.411 4.169 1.00 0.52 C ATOM 9 N9 DA A 1 -0.597 -14.232 4.862 1.00 0.59 N ATOM 10 C8 DA A 1 0.580 -14.041 4.288 1.00 0.77 C ATOM 11 N7 DA A 1 1.625 -13.927 5.047 1.00 0.82 N ATOM 12 C5 DA A 1 1.048 -14.063 6.309 1.00 0.62 C ATOM 13 C6 DA A 1 1.588 -14.041 7.600 1.00 0.57 C ATOM 14 N6 DA A 1 2.878 -13.884 7.867 1.00 0.71 N ATOM 15 N1 DA A 1 0.742 -14.201 8.619 1.00 0.43 N ATOM 16 C2 DA A 1 -0.549 -14.376 8.382 1.00 0.38 C ATOM 17 N3 DA A 1 -1.185 -14.418 7.221 1.00 0.38 N ATOM 18 C4 DA A 1 -0.310 -14.250 6.208 1.00 0.49 C ATOM 0 H5' DA A 1 -1.495 -14.947 0.452 1.00 0.64 H new ATOM 0 H5'' DA A 1 -2.107 -16.576 0.659 1.00 0.64 H new ATOM 0 H4' DA A 1 -3.699 -15.830 2.288 1.00 0.51 H new ATOM 0 H3' DA A 1 -3.242 -13.091 1.391 1.00 0.39 H new ATOM 0 H2' DA A 1 -1.534 -12.628 2.985 1.00 0.43 H new ATOM 0 H2'' DA A 1 -2.901 -12.499 4.073 1.00 0.43 H new ATOM 0 HO5' DA A 1 -3.126 -15.476 -1.133 1.00 0.59 H new ATOM 0 H1' DA A 1 -2.544 -14.673 4.995 1.00 0.52 H new ATOM 0 H8 DA A 1 0.668 -13.982 3.213 1.00 0.77 H new ATOM 0 H61 DA A 1 3.202 -13.878 8.834 1.00 0.71 H new ATOM 0 H62 DA A 1 3.546 -13.769 7.105 1.00 0.71 H new ATOM 0 H2 DA A 1 -1.169 -14.502 9.257 1.00 0.38 H new ATOM 31 P DC A 2 -5.412 -12.308 3.192 1.00 0.35 P ATOM 32 OP1 DC A 2 -6.873 -12.529 3.150 1.00 0.40 O ATOM 33 OP2 DC A 2 -4.814 -11.159 2.473 1.00 0.36 O ATOM 34 O5' DC A 2 -4.943 -12.248 4.731 1.00 0.36 O ATOM 35 C5' DC A 2 -5.458 -13.154 5.720 1.00 0.36 C ATOM 36 C4' DC A 2 -5.464 -12.490 7.117 1.00 0.32 C ATOM 37 O4' DC A 2 -4.165 -12.552 7.714 1.00 0.32 O ATOM 38 C3' DC A 2 -6.037 -11.085 7.307 1.00 0.20 C ATOM 39 O3' DC A 2 -7.089 -11.116 8.271 1.00 0.26 O ATOM 40 C2' DC A 2 -4.820 -10.325 7.880 1.00 0.13 C ATOM 41 C1' DC A 2 -3.955 -11.413 8.550 1.00 0.20 C ATOM 42 N1 DC A 2 -2.495 -11.153 8.416 1.00 0.20 N ATOM 43 C2 DC A 2 -1.692 -11.065 9.549 1.00 0.17 C ATOM 44 O2 DC A 2 -2.131 -11.164 10.691 1.00 0.20 O ATOM 45 N3 DC A 2 -0.365 -10.858 9.380 1.00 0.19 N ATOM 46 C4 DC A 2 0.167 -10.738 8.163 1.00 0.27 C ATOM 47 N4 DC A 2 1.474 -10.547 8.079 1.00 0.35 N ATOM 48 C5 DC A 2 -0.633 -10.819 6.986 1.00 0.33 C ATOM 49 C6 DC A 2 -1.953 -11.026 7.165 1.00 0.29 C ATOM 0 H5' DC A 2 -4.850 -14.058 5.744 1.00 0.36 H new ATOM 0 H5'' DC A 2 -6.470 -13.457 5.451 1.00 0.36 H new ATOM 0 H4' DC A 2 -6.208 -13.109 7.618 1.00 0.32 H new ATOM 0 H3' DC A 2 -6.455 -10.645 6.402 1.00 0.20 H new ATOM 0 H2' DC A 2 -4.269 -9.810 7.093 1.00 0.13 H new ATOM 0 H2'' DC A 2 -5.130 -9.567 8.600 1.00 0.13 H new ATOM 0 H1' DC A 2 -4.215 -11.491 9.606 1.00 0.20 H new ATOM 0 H41 DC A 2 1.918 -10.451 7.166 1.00 0.35 H new ATOM 0 H42 DC A 2 2.038 -10.496 8.928 1.00 0.35 H new ATOM 0 H5 DC A 2 -0.203 -10.720 6.000 1.00 0.33 H new ATOM 0 H6 DC A 2 -2.598 -11.093 6.301 1.00 0.29 H new ATOM 61 P DA A 3 -7.912 -9.790 8.665 1.00 0.34 P ATOM 62 OP1 DA A 3 -9.053 -10.204 9.514 1.00 0.50 O ATOM 63 OP2 DA A 3 -8.153 -8.995 7.440 1.00 0.37 O ATOM 64 O5' DA A 3 -6.826 -9.011 9.572 1.00 0.29 O ATOM 65 C5' DA A 3 -6.610 -9.357 10.946 1.00 0.33 C ATOM 66 C4' DA A 3 -5.548 -8.504 11.623 1.00 0.30 C ATOM 67 O4' DA A 3 -4.184 -8.785 11.232 1.00 0.26 O ATOM 68 C3' DA A 3 -5.776 -7.001 11.458 1.00 0.24 C ATOM 69 O3' DA A 3 -5.988 -6.436 12.754 1.00 0.26 O ATOM 70 C2' DA A 3 -4.440 -6.565 10.872 1.00 0.30 C ATOM 71 C1' DA A 3 -3.433 -7.570 11.354 1.00 0.31 C ATOM 72 N9 DA A 3 -2.195 -7.637 10.562 1.00 0.29 N ATOM 73 C8 DA A 3 -1.990 -7.604 9.219 1.00 0.27 C ATOM 74 N7 DA A 3 -0.756 -7.691 8.822 1.00 0.26 N ATOM 75 C5 DA A 3 -0.073 -7.788 10.034 1.00 0.27 C ATOM 76 C6 DA A 3 1.283 -7.907 10.355 1.00 0.29 C ATOM 77 N6 DA A 3 2.245 -7.942 9.440 1.00 0.35 N ATOM 78 N1 DA A 3 1.610 -7.982 11.652 1.00 0.31 N ATOM 79 C2 DA A 3 0.658 -7.939 12.578 1.00 0.32 C ATOM 80 N3 DA A 3 -0.645 -7.827 12.401 1.00 0.30 N ATOM 81 C4 DA A 3 -0.944 -7.756 11.089 1.00 0.29 C ATOM 0 H5' DA A 3 -6.317 -10.405 11.008 1.00 0.33 H new ATOM 0 H5'' DA A 3 -7.549 -9.256 11.491 1.00 0.33 H new ATOM 0 H4' DA A 3 -5.669 -8.793 12.667 1.00 0.30 H new ATOM 0 H3' DA A 3 -6.629 -6.708 10.846 1.00 0.24 H new ATOM 0 H2' DA A 3 -4.480 -6.543 9.783 1.00 0.30 H new ATOM 0 H2'' DA A 3 -4.178 -5.560 11.202 1.00 0.30 H new ATOM 0 H1' DA A 3 -3.061 -7.334 12.351 1.00 0.31 H new ATOM 0 H8 DA A 3 -2.808 -7.511 8.520 1.00 0.27 H new ATOM 0 H61 DA A 3 3.220 -8.030 9.728 1.00 0.35 H new ATOM 0 H62 DA A 3 2.009 -7.881 8.450 1.00 0.35 H new ATOM 0 H2 DA A 3 0.992 -8.004 13.603 1.00 0.32 H new ATOM 93 P DC A 4 -7.111 -5.322 13.068 1.00 0.36 P ATOM 94 OP1 DC A 4 -7.070 -5.046 14.521 1.00 0.56 O ATOM 95 OP2 DC A 4 -8.374 -5.767 12.437 1.00 0.44 O ATOM 96 O5' DC A 4 -6.624 -4.000 12.284 1.00 0.36 O ATOM 97 C5' DC A 4 -5.268 -3.545 12.302 1.00 0.37 C ATOM 98 C4' DC A 4 -5.104 -2.051 12.482 1.00 0.28 C ATOM 99 O4' DC A 4 -3.713 -1.815 12.277 1.00 0.24 O ATOM 100 C3' DC A 4 -5.836 -1.227 11.420 1.00 0.29 C ATOM 101 O3' DC A 4 -7.235 -0.963 11.620 1.00 0.26 O ATOM 102 C2' DC A 4 -4.944 -0.023 11.304 1.00 0.23 C ATOM 103 C1' DC A 4 -3.543 -0.576 11.596 1.00 0.22 C ATOM 104 N1 DC A 4 -2.611 -0.778 10.461 1.00 0.24 N ATOM 105 C2 DC A 4 -1.254 -0.827 10.751 1.00 0.23 C ATOM 106 O2 DC A 4 -0.813 -0.707 11.892 1.00 0.24 O ATOM 107 N3 DC A 4 -0.382 -1.015 9.734 1.00 0.27 N ATOM 108 C4 DC A 4 -0.809 -1.153 8.477 1.00 0.29 C ATOM 109 N4 DC A 4 0.088 -1.335 7.517 1.00 0.32 N ATOM 110 C5 DC A 4 -2.197 -1.108 8.155 1.00 0.31 C ATOM 111 C6 DC A 4 -3.058 -0.919 9.174 1.00 0.32 C ATOM 0 H5' DC A 4 -4.788 -3.840 11.369 1.00 0.37 H new ATOM 0 H5'' DC A 4 -4.739 -4.054 13.107 1.00 0.37 H new ATOM 0 H4' DC A 4 -5.500 -1.763 13.456 1.00 0.28 H new ATOM 0 H3' DC A 4 -5.958 -1.778 10.487 1.00 0.29 H new ATOM 0 H2' DC A 4 -4.999 0.422 10.310 1.00 0.23 H new ATOM 0 H2'' DC A 4 -5.224 0.753 12.017 1.00 0.23 H new ATOM 0 H1' DC A 4 -3.053 0.207 12.175 1.00 0.22 H new ATOM 0 H41 DC A 4 -0.216 -1.443 6.549 1.00 0.32 H new ATOM 0 H42 DC A 4 1.081 -1.367 7.747 1.00 0.32 H new ATOM 0 H5 DC A 4 -2.543 -1.221 7.138 1.00 0.31 H new ATOM 0 H6 DC A 4 -4.118 -0.878 8.973 1.00 0.32 H new ATOM 123 P DG A 5 -8.081 -0.859 12.995 1.00 0.21 P ATOM 124 OP1 DG A 5 -7.544 -1.797 14.007 1.00 0.26 O ATOM 125 OP2 DG A 5 -9.511 -0.932 12.615 1.00 0.30 O ATOM 126 O5' DG A 5 -7.751 0.628 13.501 1.00 0.28 O ATOM 127 C5' DG A 5 -8.398 1.822 13.040 1.00 0.28 C ATOM 128 C4' DG A 5 -7.501 3.002 13.345 1.00 0.23 C ATOM 129 O4' DG A 5 -6.242 2.782 12.683 1.00 0.26 O ATOM 130 C3' DG A 5 -8.033 4.366 12.880 1.00 0.26 C ATOM 131 O3' DG A 5 -7.939 5.361 13.906 1.00 0.23 O ATOM 132 C2' DG A 5 -7.111 4.680 11.721 1.00 0.30 C ATOM 133 C1' DG A 5 -5.804 3.995 12.082 1.00 0.25 C ATOM 134 N9 DG A 5 -4.927 3.601 10.941 1.00 0.26 N ATOM 135 C8 DG A 5 -5.175 3.618 9.589 1.00 0.29 C ATOM 136 N7 DG A 5 -4.218 3.205 8.822 1.00 0.31 N ATOM 137 C5 DG A 5 -3.224 2.875 9.736 1.00 0.27 C ATOM 138 C6 DG A 5 -1.931 2.361 9.494 1.00 0.27 C ATOM 139 O6 DG A 5 -1.402 2.084 8.424 1.00 0.31 O ATOM 140 N1 DG A 5 -1.231 2.157 10.655 1.00 0.23 N ATOM 141 C2 DG A 5 -1.696 2.408 11.920 1.00 0.21 C ATOM 142 N2 DG A 5 -0.857 2.115 12.906 1.00 0.20 N ATOM 143 N3 DG A 5 -2.918 2.897 12.176 1.00 0.21 N ATOM 144 C4 DG A 5 -3.633 3.108 11.032 1.00 0.23 C ATOM 0 H5' DG A 5 -9.364 1.943 13.531 1.00 0.28 H new ATOM 0 H5'' DG A 5 -8.590 1.759 11.969 1.00 0.28 H new ATOM 0 H4' DG A 5 -7.428 3.052 14.431 1.00 0.23 H new ATOM 0 H3' DG A 5 -9.091 4.351 12.617 1.00 0.26 H new ATOM 0 H2' DG A 5 -7.512 4.301 10.781 1.00 0.30 H new ATOM 0 H2'' DG A 5 -6.976 5.755 11.600 1.00 0.30 H new ATOM 0 H1' DG A 5 -5.205 4.682 12.680 1.00 0.25 H new ATOM 0 H8 DG A 5 -6.118 3.958 9.188 1.00 0.29 H new ATOM 0 H1 DG A 5 -0.284 1.787 10.570 1.00 0.23 H new ATOM 0 H21 DG A 5 -1.133 2.275 13.875 1.00 0.20 H new ATOM 0 H22 DG A 5 0.064 1.730 12.695 1.00 0.20 H new ATOM 156 P DT A 6 -9.119 5.484 14.999 1.00 0.20 P ATOM 157 OP1 DT A 6 -9.153 4.224 15.777 1.00 0.30 O ATOM 158 OP2 DT A 6 -10.342 5.938 14.294 1.00 0.28 O ATOM 159 O5' DT A 6 -8.643 6.669 15.976 1.00 0.24 O ATOM 160 C5' DT A 6 -7.599 6.527 16.954 1.00 0.20 C ATOM 161 C4' DT A 6 -6.529 7.594 16.768 1.00 0.21 C ATOM 162 O4' DT A 6 -5.948 7.483 15.451 1.00 0.25 O ATOM 163 C3' DT A 6 -7.117 9.005 16.855 1.00 0.22 C ATOM 164 O3' DT A 6 -6.770 9.602 18.104 1.00 0.41 O ATOM 165 C2' DT A 6 -6.536 9.708 15.622 1.00 0.21 C ATOM 166 C1' DT A 6 -5.458 8.779 15.096 1.00 0.14 C ATOM 167 N1 DT A 6 -5.233 8.852 13.624 1.00 0.17 N ATOM 168 C2 DT A 6 -3.936 9.012 13.165 1.00 0.18 C ATOM 169 O2 DT A 6 -2.959 9.096 13.903 1.00 0.18 O ATOM 170 N3 DT A 6 -3.778 9.069 11.799 1.00 0.18 N ATOM 171 C4 DT A 6 -4.763 8.989 10.853 1.00 0.19 C ATOM 172 O4 DT A 6 -4.454 9.065 9.668 1.00 0.21 O ATOM 173 C5 DT A 6 -6.084 8.822 11.403 1.00 0.20 C ATOM 174 C7 DT A 6 -7.288 8.702 10.478 1.00 0.23 C ATOM 175 C6 DT A 6 -6.274 8.760 12.738 1.00 0.20 C ATOM 0 H5' DT A 6 -7.149 5.538 16.870 1.00 0.20 H new ATOM 0 H5'' DT A 6 -8.022 6.601 17.956 1.00 0.20 H new ATOM 0 H4' DT A 6 -5.793 7.439 17.557 1.00 0.21 H new ATOM 0 H3' DT A 6 -8.206 9.054 16.839 1.00 0.22 H new ATOM 0 H2' DT A 6 -7.306 9.881 14.870 1.00 0.21 H new ATOM 0 H2'' DT A 6 -6.122 10.681 15.884 1.00 0.21 H new ATOM 0 H1' DT A 6 -4.488 9.042 15.518 1.00 0.14 H new ATOM 0 H3 DT A 6 -2.824 9.183 11.455 1.00 0.18 H new ATOM 0 H71 DT A 6 -8.051 8.085 10.952 1.00 0.23 H new ATOM 0 H72 DT A 6 -7.695 9.694 10.280 1.00 0.23 H new ATOM 0 H73 DT A 6 -6.981 8.242 9.539 1.00 0.23 H new ATOM 0 H6 DT A 6 -7.277 8.634 13.119 1.00 0.20 H new ATOM 188 P DG A 7 -7.065 11.143 18.461 1.00 0.36 P ATOM 189 OP1 DG A 7 -6.975 11.301 19.930 1.00 0.38 O ATOM 190 OP2 DG A 7 -8.281 11.593 17.745 1.00 0.37 O ATOM 191 O5' DG A 7 -5.792 11.848 17.784 1.00 0.35 O ATOM 192 C5' DG A 7 -4.480 11.691 18.342 1.00 0.37 C ATOM 193 C4' DG A 7 -3.428 12.415 17.521 1.00 0.34 C ATOM 194 O4' DG A 7 -3.292 11.876 16.187 1.00 0.32 O ATOM 195 C3' DG A 7 -3.791 13.907 17.355 1.00 0.33 C ATOM 196 O3' DG A 7 -2.946 14.802 18.085 1.00 0.39 O ATOM 197 C2' DG A 7 -3.769 14.084 15.831 1.00 0.26 C ATOM 198 C1' DG A 7 -2.890 12.953 15.327 1.00 0.27 C ATOM 199 N9 DG A 7 -3.160 12.629 13.909 1.00 0.18 N ATOM 200 C8 DG A 7 -4.350 12.431 13.277 1.00 0.18 C ATOM 201 N7 DG A 7 -4.296 12.154 12.009 1.00 0.21 N ATOM 202 C5 DG A 7 -2.923 12.168 11.769 1.00 0.11 C ATOM 203 C6 DG A 7 -2.206 11.936 10.568 1.00 0.15 C ATOM 204 O6 DG A 7 -2.627 11.665 9.451 1.00 0.19 O ATOM 205 N1 DG A 7 -0.848 12.045 10.756 1.00 0.24 N ATOM 206 C2 DG A 7 -0.239 12.339 11.944 1.00 0.36 C ATOM 207 N2 DG A 7 1.076 12.409 11.945 1.00 0.53 N ATOM 208 N3 DG A 7 -0.891 12.558 13.080 1.00 0.34 N ATOM 209 C4 DG A 7 -2.227 12.457 12.920 1.00 0.19 C ATOM 0 H5' DG A 7 -4.233 10.631 18.396 1.00 0.37 H new ATOM 0 H5'' DG A 7 -4.471 12.073 19.363 1.00 0.37 H new ATOM 0 H4' DG A 7 -2.495 12.285 18.069 1.00 0.34 H new ATOM 0 H3' DG A 7 -4.757 14.166 17.787 1.00 0.33 H new ATOM 0 H2' DG A 7 -4.773 14.024 15.410 1.00 0.26 H new ATOM 0 H2'' DG A 7 -3.364 15.056 15.551 1.00 0.26 H new ATOM 0 H1' DG A 7 -1.825 13.182 15.355 1.00 0.27 H new ATOM 0 H8 DG A 7 -5.291 12.501 13.803 1.00 0.18 H new ATOM 0 H1 DG A 7 -0.248 11.895 9.945 1.00 0.24 H new ATOM 0 H21 DG A 7 1.575 12.626 12.808 1.00 0.53 H new ATOM 0 H22 DG A 7 1.596 12.247 11.083 1.00 0.53 H new ATOM 221 P DT A 8 -1.407 15.136 17.769 1.00 0.27 P ATOM 222 OP1 DT A 8 -0.672 13.874 17.531 1.00 0.24 O ATOM 223 OP2 DT A 8 -0.940 16.087 18.802 1.00 0.35 O ATOM 224 O5' DT A 8 -1.559 15.926 16.371 1.00 0.38 O ATOM 225 C5' DT A 8 -0.596 16.831 15.828 1.00 0.31 C ATOM 226 C4' DT A 8 0.673 16.126 15.333 1.00 0.46 C ATOM 227 O4' DT A 8 0.374 15.152 14.311 1.00 0.52 O ATOM 228 C3' DT A 8 1.619 17.122 14.697 1.00 0.52 C ATOM 229 O3' DT A 8 2.909 16.497 14.660 1.00 0.73 O ATOM 230 C2' DT A 8 0.992 17.163 13.313 1.00 0.50 C ATOM 231 C1' DT A 8 0.714 15.705 13.027 1.00 0.52 C ATOM 232 N1 DT A 8 -0.417 15.580 12.089 1.00 0.41 N ATOM 233 C2 DT A 8 -0.144 15.277 10.774 1.00 0.42 C ATOM 234 O2 DT A 8 0.987 15.088 10.338 1.00 0.52 O ATOM 235 N3 DT A 8 -1.228 15.186 9.948 1.00 0.32 N ATOM 236 C4 DT A 8 -2.543 15.360 10.295 1.00 0.22 C ATOM 237 O4 DT A 8 -3.399 15.243 9.422 1.00 0.17 O ATOM 238 C5 DT A 8 -2.753 15.671 11.690 1.00 0.23 C ATOM 239 C7 DT A 8 -4.179 15.888 12.217 1.00 0.21 C ATOM 240 C6 DT A 8 -1.698 15.770 12.525 1.00 0.31 C ATOM 0 H5' DT A 8 -0.325 17.564 16.588 1.00 0.31 H new ATOM 0 H5'' DT A 8 -1.047 17.380 15.001 1.00 0.31 H new ATOM 0 H4' DT A 8 1.117 15.647 16.206 1.00 0.46 H new ATOM 0 H3' DT A 8 1.745 18.097 15.169 1.00 0.52 H new ATOM 0 H2' DT A 8 0.079 17.759 13.300 1.00 0.50 H new ATOM 0 H2'' DT A 8 1.667 17.598 12.576 1.00 0.50 H new ATOM 0 HO3' DT A 8 3.557 17.108 14.252 1.00 0.73 H new ATOM 0 H1' DT A 8 1.560 15.194 12.567 1.00 0.52 H new ATOM 0 H3 DT A 8 -1.039 14.965 8.970 1.00 0.32 H new ATOM 0 H71 DT A 8 -4.230 15.587 13.263 1.00 0.21 H new ATOM 0 H72 DT A 8 -4.443 16.942 12.129 1.00 0.21 H new ATOM 0 H73 DT A 8 -4.878 15.289 11.633 1.00 0.21 H new ATOM 0 H6 DT A 8 -1.870 16.005 13.565 1.00 0.31 H new TER 254 DT A 8 ATOM 255 O5' DA B 1 2.974 15.199 -1.823 1.00 0.30 O ATOM 256 C5' DA B 1 1.986 15.585 -0.863 1.00 0.20 C ATOM 257 C4' DA B 1 2.513 15.342 0.557 1.00 0.13 C ATOM 258 O4' DA B 1 1.535 15.694 1.578 1.00 0.20 O ATOM 259 C3' DA B 1 2.944 13.875 0.828 1.00 0.19 C ATOM 260 O3' DA B 1 4.346 13.828 1.139 1.00 0.17 O ATOM 261 C2' DA B 1 2.053 13.487 2.020 1.00 0.31 C ATOM 262 C1' DA B 1 1.632 14.790 2.698 1.00 0.30 C ATOM 263 N9 DA B 1 0.383 14.711 3.469 1.00 0.30 N ATOM 264 C8 DA B 1 -0.828 14.506 2.975 1.00 0.32 C ATOM 265 N7 DA B 1 -1.833 14.487 3.793 1.00 0.30 N ATOM 266 C5 DA B 1 -1.187 14.713 5.007 1.00 0.24 C ATOM 267 C6 DA B 1 -1.658 14.818 6.322 1.00 0.24 C ATOM 268 N6 DA B 1 -2.938 14.718 6.662 1.00 0.24 N ATOM 269 N1 DA B 1 -0.757 15.042 7.277 1.00 0.30 N ATOM 270 C2 DA B 1 0.525 15.159 6.960 1.00 0.36 C ATOM 271 N3 DA B 1 1.100 15.082 5.769 1.00 0.34 N ATOM 272 C4 DA B 1 0.168 14.853 4.820 1.00 0.27 C ATOM 0 H5' DA B 1 1.070 15.016 -1.022 1.00 0.20 H new ATOM 0 H5'' DA B 1 1.734 16.638 -0.991 1.00 0.20 H new ATOM 0 H4' DA B 1 3.388 15.989 0.617 1.00 0.13 H new ATOM 0 H3' DA B 1 2.821 13.195 -0.015 1.00 0.19 H new ATOM 0 H2' DA B 1 1.181 12.926 1.684 1.00 0.31 H new ATOM 0 H2'' DA B 1 2.595 12.847 2.716 1.00 0.31 H new ATOM 0 HO5' DA B 1 2.630 15.355 -2.727 1.00 0.30 H new ATOM 0 H1' DA B 1 2.341 15.099 3.466 1.00 0.30 H new ATOM 0 H8 DA B 1 -0.975 14.358 1.915 1.00 0.32 H new ATOM 0 H61 DA B 1 -3.214 14.804 7.640 1.00 0.24 H new ATOM 0 H62 DA B 1 -3.645 14.555 5.945 1.00 0.24 H new ATOM 0 H2 DA B 1 1.194 15.343 7.788 1.00 0.36 H new ATOM 285 P DC B 2 5.096 12.516 1.725 1.00 0.18 P ATOM 286 OP1 DC B 2 6.555 12.725 1.600 1.00 0.25 O ATOM 287 OP2 DC B 2 4.468 11.308 1.141 1.00 0.31 O ATOM 288 O5' DC B 2 4.696 12.594 3.282 1.00 0.18 O ATOM 289 C5' DC B 2 5.249 13.589 4.159 1.00 0.23 C ATOM 290 C4' DC B 2 5.311 13.055 5.610 1.00 0.28 C ATOM 291 O4' DC B 2 4.037 13.176 6.250 1.00 0.36 O ATOM 292 C3' DC B 2 5.888 11.668 5.902 1.00 0.25 C ATOM 293 O3' DC B 2 6.980 11.773 6.816 1.00 0.29 O ATOM 294 C2' DC B 2 4.700 10.968 6.598 1.00 0.24 C ATOM 295 C1' DC B 2 3.864 12.120 7.197 1.00 0.30 C ATOM 296 N1 DC B 2 2.400 11.853 7.146 1.00 0.34 N ATOM 297 C2 DC B 2 1.645 11.874 8.311 1.00 0.42 C ATOM 298 O2 DC B 2 2.130 12.076 9.420 1.00 0.49 O ATOM 299 N3 DC B 2 0.312 11.656 8.212 1.00 0.45 N ATOM 300 C4 DC B 2 -0.271 11.425 7.036 1.00 0.42 C ATOM 301 N4 DC B 2 -1.581 11.231 7.019 1.00 0.45 N ATOM 302 C5 DC B 2 0.482 11.395 5.827 1.00 0.35 C ATOM 303 C6 DC B 2 1.808 11.612 5.935 1.00 0.31 C ATOM 0 H5' DC B 2 4.641 14.493 4.123 1.00 0.23 H new ATOM 0 H5'' DC B 2 6.249 13.864 3.823 1.00 0.23 H new ATOM 0 H4' DC B 2 6.075 13.713 6.024 1.00 0.28 H new ATOM 0 H3' DC B 2 6.262 11.151 5.019 1.00 0.25 H new ATOM 0 H2' DC B 2 4.116 10.381 5.889 1.00 0.24 H new ATOM 0 H2'' DC B 2 5.043 10.283 7.373 1.00 0.24 H new ATOM 0 H1' DC B 2 4.169 12.297 8.228 1.00 0.30 H new ATOM 0 H41 DC B 2 -2.059 11.052 6.136 1.00 0.45 H new ATOM 0 H42 DC B 2 -2.112 11.261 7.889 1.00 0.45 H new ATOM 0 H5 DC B 2 0.014 11.208 4.872 1.00 0.35 H new ATOM 0 H6 DC B 2 2.419 11.595 5.044 1.00 0.31 H new ATOM 315 P DA B 3 7.897 10.494 7.167 1.00 0.30 P ATOM 316 OP1 DA B 3 9.103 10.996 7.863 1.00 0.37 O ATOM 317 OP2 DA B 3 8.045 9.660 5.950 1.00 0.37 O ATOM 318 O5' DA B 3 6.959 9.693 8.217 1.00 0.28 O ATOM 319 C5' DA B 3 6.911 10.063 9.602 1.00 0.27 C ATOM 320 C4' DA B 3 5.909 9.278 10.439 1.00 0.30 C ATOM 321 O4' DA B 3 4.532 9.530 10.069 1.00 0.26 O ATOM 322 C3' DA B 3 6.116 7.764 10.384 1.00 0.34 C ATOM 323 O3' DA B 3 6.519 7.296 11.683 1.00 0.45 O ATOM 324 C2' DA B 3 4.728 7.249 10.006 1.00 0.24 C ATOM 325 C1' DA B 3 3.765 8.355 10.374 1.00 0.20 C ATOM 326 N9 DA B 3 2.523 8.373 9.572 1.00 0.22 N ATOM 327 C8 DA B 3 2.318 8.221 8.233 1.00 0.26 C ATOM 328 N7 DA B 3 1.084 8.315 7.824 1.00 0.27 N ATOM 329 C5 DA B 3 0.403 8.552 9.022 1.00 0.26 C ATOM 330 C6 DA B 3 -0.950 8.751 9.333 1.00 0.25 C ATOM 331 N6 DA B 3 -1.925 8.746 8.431 1.00 0.23 N ATOM 332 N1 DA B 3 -1.270 8.959 10.618 1.00 0.25 N ATOM 333 C2 DA B 3 -0.316 8.970 11.542 1.00 0.24 C ATOM 334 N3 DA B 3 0.981 8.796 11.376 1.00 0.25 N ATOM 335 C4 DA B 3 1.274 8.589 10.076 1.00 0.24 C ATOM 0 H5' DA B 3 6.670 11.124 9.672 1.00 0.27 H new ATOM 0 H5'' DA B 3 7.904 9.933 10.033 1.00 0.27 H new ATOM 0 H4' DA B 3 6.099 9.640 11.450 1.00 0.30 H new ATOM 0 H3' DA B 3 6.886 7.434 9.687 1.00 0.34 H new ATOM 0 H2' DA B 3 4.672 7.020 8.942 1.00 0.24 H new ATOM 0 H2'' DA B 3 4.492 6.330 10.543 1.00 0.24 H new ATOM 0 H1' DA B 3 3.423 8.253 11.404 1.00 0.20 H new ATOM 0 H8 DA B 3 3.133 8.033 7.549 1.00 0.26 H new ATOM 0 H61 DA B 3 -2.891 8.897 8.723 1.00 0.23 H new ATOM 0 H62 DA B 3 -1.708 8.591 7.446 1.00 0.23 H new ATOM 0 H2 DA B 3 -0.643 9.143 12.557 1.00 0.24 H new ATOM 347 P DC B 4 7.899 6.476 11.943 1.00 0.64 P ATOM 348 OP1 DC B 4 8.475 6.964 13.216 1.00 1.07 O ATOM 349 OP2 DC B 4 8.704 6.522 10.701 1.00 1.02 O ATOM 350 O5' DC B 4 7.483 4.939 12.183 1.00 0.22 O ATOM 351 C5' DC B 4 6.137 4.503 12.022 1.00 0.26 C ATOM 352 C4' DC B 4 5.912 3.052 12.384 1.00 0.21 C ATOM 353 O4' DC B 4 4.533 2.858 12.091 1.00 0.29 O ATOM 354 C3' DC B 4 6.708 2.054 11.543 1.00 0.24 C ATOM 355 O3' DC B 4 7.911 1.626 12.214 1.00 0.37 O ATOM 356 C2' DC B 4 5.733 0.911 11.462 1.00 0.25 C ATOM 357 C1' DC B 4 4.349 1.538 11.602 1.00 0.22 C ATOM 358 N1 DC B 4 3.493 1.562 10.397 1.00 0.20 N ATOM 359 C2 DC B 4 2.118 1.518 10.578 1.00 0.22 C ATOM 360 O2 DC B 4 1.591 1.468 11.688 1.00 0.23 O ATOM 361 N3 DC B 4 1.325 1.539 9.489 1.00 0.25 N ATOM 362 C4 DC B 4 1.840 1.604 8.263 1.00 0.26 C ATOM 363 N4 DC B 4 0.990 1.623 7.247 1.00 0.32 N ATOM 364 C5 DC B 4 3.253 1.652 8.048 1.00 0.25 C ATOM 365 C6 DC B 4 4.037 1.629 9.146 1.00 0.23 C ATOM 0 H5' DC B 4 5.837 4.659 10.986 1.00 0.26 H new ATOM 0 H5'' DC B 4 5.488 5.125 12.639 1.00 0.26 H new ATOM 0 H4' DC B 4 6.222 2.876 13.414 1.00 0.21 H new ATOM 0 H3' DC B 4 7.041 2.456 10.586 1.00 0.24 H new ATOM 0 H2' DC B 4 5.829 0.381 10.514 1.00 0.25 H new ATOM 0 H2'' DC B 4 5.915 0.184 12.253 1.00 0.25 H new ATOM 0 H1' DC B 4 3.796 0.891 12.282 1.00 0.22 H new ATOM 0 H41 DC B 4 1.340 1.672 6.290 1.00 0.32 H new ATOM 0 H42 DC B 4 -0.014 1.588 7.422 1.00 0.32 H new ATOM 0 H5 DC B 4 3.673 1.704 7.054 1.00 0.25 H new ATOM 0 H6 DC B 4 5.111 1.664 9.034 1.00 0.23 H new ATOM 377 P DG B 5 9.017 0.648 11.532 1.00 0.44 P ATOM 378 OP1 DG B 5 10.195 1.474 11.182 1.00 0.54 O ATOM 379 OP2 DG B 5 8.358 -0.170 10.486 1.00 0.90 O ATOM 380 O5' DG B 5 9.521 -0.377 12.658 1.00 0.66 O ATOM 381 C5' DG B 5 9.104 -0.392 14.021 1.00 0.54 C ATOM 382 C4' DG B 5 8.191 -1.564 14.307 1.00 0.28 C ATOM 383 O4' DG B 5 7.011 -1.455 13.494 1.00 0.24 O ATOM 384 C3' DG B 5 8.794 -2.950 14.075 1.00 0.29 C ATOM 385 O3' DG B 5 8.555 -3.739 15.243 1.00 0.30 O ATOM 386 C2' DG B 5 7.999 -3.437 12.876 1.00 0.26 C ATOM 387 C1' DG B 5 6.658 -2.750 13.021 1.00 0.21 C ATOM 388 N9 DG B 5 5.887 -2.561 11.759 1.00 0.18 N ATOM 389 C8 DG B 5 6.258 -2.739 10.445 1.00 0.21 C ATOM 390 N7 DG B 5 5.349 -2.496 9.555 1.00 0.21 N ATOM 391 C5 DG B 5 4.261 -2.119 10.333 1.00 0.17 C ATOM 392 C6 DG B 5 2.962 -1.732 9.927 1.00 0.18 C ATOM 393 O6 DG B 5 2.493 -1.644 8.797 1.00 0.23 O ATOM 394 N1 DG B 5 2.160 -1.427 10.991 1.00 0.18 N ATOM 395 C2 DG B 5 2.535 -1.477 12.305 1.00 0.16 C ATOM 396 N2 DG B 5 1.596 -1.123 13.166 1.00 0.19 N ATOM 397 N3 DG B 5 3.754 -1.842 12.720 1.00 0.13 N ATOM 398 C4 DG B 5 4.571 -2.151 11.674 1.00 0.14 C ATOM 0 H5' DG B 5 8.588 0.539 14.255 1.00 0.54 H new ATOM 0 H5'' DG B 5 9.978 -0.443 14.670 1.00 0.54 H new ATOM 0 H4' DG B 5 7.983 -1.498 15.375 1.00 0.28 H new ATOM 0 H3' DG B 5 9.869 -2.984 13.897 1.00 0.29 H new ATOM 0 H2' DG B 5 8.486 -3.168 11.939 1.00 0.26 H new ATOM 0 H2'' DG B 5 7.894 -4.522 12.881 1.00 0.26 H new ATOM 0 H1' DG B 5 6.015 -3.358 13.657 1.00 0.21 H new ATOM 0 H8 DG B 5 7.251 -3.063 10.172 1.00 0.21 H new ATOM 0 H1 DG B 5 1.203 -1.138 10.788 1.00 0.18 H new ATOM 0 H21 DG B 5 1.792 -1.132 14.167 1.00 0.19 H new ATOM 0 H22 DG B 5 0.675 -0.841 12.829 1.00 0.19 H new ATOM 410 P DT B 6 9.487 -4.979 15.673 1.00 0.27 P ATOM 411 OP1 DT B 6 10.902 -4.575 15.494 1.00 0.43 O ATOM 412 OP2 DT B 6 8.995 -6.205 15.005 1.00 0.39 O ATOM 413 O5' DT B 6 9.207 -5.067 17.269 1.00 0.34 O ATOM 414 C5' DT B 6 7.942 -5.093 17.971 1.00 0.38 C ATOM 415 C4' DT B 6 6.974 -6.208 17.565 1.00 0.26 C ATOM 416 O4' DT B 6 6.482 -6.103 16.214 1.00 0.22 O ATOM 417 C3' DT B 6 7.613 -7.584 17.651 1.00 0.19 C ATOM 418 O3' DT B 6 7.357 -8.159 18.930 1.00 0.23 O ATOM 419 C2' DT B 6 6.962 -8.332 16.484 1.00 0.20 C ATOM 420 C1' DT B 6 5.919 -7.394 15.927 1.00 0.21 C ATOM 421 N1 DT B 6 5.665 -7.588 14.475 1.00 0.17 N ATOM 422 C2 DT B 6 4.355 -7.764 14.060 1.00 0.21 C ATOM 423 O2 DT B 6 3.402 -7.780 14.833 1.00 0.29 O ATOM 424 N3 DT B 6 4.161 -7.929 12.708 1.00 0.22 N ATOM 425 C4 DT B 6 5.128 -7.943 11.738 1.00 0.22 C ATOM 426 O4 DT B 6 4.803 -8.104 10.563 1.00 0.28 O ATOM 427 C5 DT B 6 6.463 -7.757 12.248 1.00 0.19 C ATOM 428 C7 DT B 6 7.645 -7.753 11.293 1.00 0.29 C ATOM 429 C6 DT B 6 6.689 -7.588 13.564 1.00 0.15 C ATOM 0 H5' DT B 6 7.445 -4.135 17.820 1.00 0.38 H new ATOM 0 H5'' DT B 6 8.143 -5.184 19.039 1.00 0.38 H new ATOM 0 H4' DT B 6 6.155 -6.088 18.274 1.00 0.26 H new ATOM 0 H3' DT B 6 8.700 -7.599 17.568 1.00 0.19 H new ATOM 0 H2' DT B 6 7.700 -8.591 15.725 1.00 0.20 H new ATOM 0 H2'' DT B 6 6.510 -9.265 16.821 1.00 0.20 H new ATOM 0 H1' DT B 6 4.934 -7.552 16.367 1.00 0.21 H new ATOM 0 H3 DT B 6 3.198 -8.054 12.396 1.00 0.22 H new ATOM 0 H71 DT B 6 8.432 -7.113 11.691 1.00 0.29 H new ATOM 0 H72 DT B 6 8.025 -8.768 11.180 1.00 0.29 H new ATOM 0 H73 DT B 6 7.327 -7.375 10.322 1.00 0.29 H new ATOM 0 H6 DT B 6 7.702 -7.449 13.911 1.00 0.15 H new ATOM 442 P DG B 7 7.639 -9.698 19.293 1.00 0.24 P ATOM 443 OP1 DG B 7 7.619 -9.807 20.769 1.00 0.27 O ATOM 444 OP2 DG B 7 8.820 -10.173 18.533 1.00 0.27 O ATOM 445 O5' DG B 7 6.335 -10.422 18.698 1.00 0.30 O ATOM 446 C5' DG B 7 5.048 -10.241 19.306 1.00 0.31 C ATOM 447 C4' DG B 7 3.962 -11.004 18.564 1.00 0.29 C ATOM 448 O4' DG B 7 3.765 -10.525 17.214 1.00 0.30 O ATOM 449 C3' DG B 7 4.320 -12.501 18.448 1.00 0.27 C ATOM 450 O3' DG B 7 3.506 -13.365 19.254 1.00 0.32 O ATOM 451 C2' DG B 7 4.235 -12.745 16.936 1.00 0.24 C ATOM 452 C1' DG B 7 3.330 -11.639 16.420 1.00 0.25 C ATOM 453 N9 DG B 7 3.537 -11.377 14.978 1.00 0.21 N ATOM 454 C8 DG B 7 4.696 -11.208 14.285 1.00 0.23 C ATOM 455 N7 DG B 7 4.585 -10.985 13.009 1.00 0.23 N ATOM 456 C5 DG B 7 3.204 -11.010 12.831 1.00 0.20 C ATOM 457 C6 DG B 7 2.431 -10.833 11.652 1.00 0.22 C ATOM 458 O6 DG B 7 2.793 -10.612 10.502 1.00 0.23 O ATOM 459 N1 DG B 7 1.083 -10.933 11.904 1.00 0.22 N ATOM 460 C2 DG B 7 0.531 -11.171 13.133 1.00 0.23 C ATOM 461 N2 DG B 7 -0.783 -11.239 13.191 1.00 0.26 N ATOM 462 N3 DG B 7 1.232 -11.339 14.247 1.00 0.22 N ATOM 463 C4 DG B 7 2.560 -11.247 14.025 1.00 0.20 C ATOM 0 H5' DG B 7 4.800 -9.180 19.323 1.00 0.31 H new ATOM 0 H5'' DG B 7 5.085 -10.577 20.342 1.00 0.31 H new ATOM 0 H4' DG B 7 3.054 -10.851 19.148 1.00 0.29 H new ATOM 0 H3' DG B 7 5.304 -12.741 18.850 1.00 0.27 H new ATOM 0 H2' DG B 7 5.220 -12.701 16.471 1.00 0.24 H new ATOM 0 H2'' DG B 7 3.823 -13.730 16.716 1.00 0.24 H new ATOM 0 H1' DG B 7 2.268 -11.869 16.503 1.00 0.25 H new ATOM 0 H8 DG B 7 5.659 -11.257 14.771 1.00 0.23 H new ATOM 0 H1 DG B 7 0.446 -10.821 11.115 1.00 0.22 H new ATOM 0 H21 DG B 7 -1.246 -11.414 14.083 1.00 0.26 H new ATOM 0 H22 DG B 7 -1.338 -11.116 12.344 1.00 0.26 H new ATOM 475 P DT B 8 1.930 -13.649 19.077 1.00 0.29 P ATOM 476 OP1 DT B 8 1.227 -12.373 18.817 1.00 0.28 O ATOM 477 OP2 DT B 8 1.499 -14.523 20.193 1.00 0.41 O ATOM 478 O5' DT B 8 1.952 -14.522 17.723 1.00 0.37 O ATOM 479 C5' DT B 8 0.917 -15.411 17.297 1.00 0.31 C ATOM 480 C4' DT B 8 -0.352 -14.679 16.845 1.00 0.44 C ATOM 481 O4' DT B 8 -0.082 -13.779 15.750 1.00 0.41 O ATOM 482 C3' DT B 8 -1.376 -15.668 16.328 1.00 0.48 C ATOM 483 O3' DT B 8 -2.639 -14.994 16.335 1.00 0.67 O ATOM 484 C2' DT B 8 -0.847 -15.813 14.911 1.00 0.38 C ATOM 485 C1' DT B 8 -0.534 -14.385 14.525 1.00 0.38 C ATOM 486 N1 DT B 8 0.535 -14.357 13.509 1.00 0.24 N ATOM 487 C2 DT B 8 0.188 -14.115 12.198 1.00 0.26 C ATOM 488 O2 DT B 8 -0.961 -13.902 11.826 1.00 0.41 O ATOM 489 N3 DT B 8 1.218 -14.114 11.302 1.00 0.25 N ATOM 490 C4 DT B 8 2.545 -14.324 11.574 1.00 0.27 C ATOM 491 O4 DT B 8 3.344 -14.289 10.645 1.00 0.40 O ATOM 492 C5 DT B 8 2.835 -14.569 12.971 1.00 0.20 C ATOM 493 C7 DT B 8 4.282 -14.819 13.424 1.00 0.30 C ATOM 494 C6 DT B 8 1.834 -14.578 13.876 1.00 0.17 C ATOM 0 H5' DT B 8 0.668 -16.088 18.114 1.00 0.31 H new ATOM 0 H5'' DT B 8 1.288 -16.025 16.476 1.00 0.31 H new ATOM 0 H4' DT B 8 -0.718 -14.132 17.714 1.00 0.44 H new ATOM 0 H3' DT B 8 -1.506 -16.608 16.864 1.00 0.48 H new ATOM 0 H2' DT B 8 0.039 -16.446 14.873 1.00 0.38 H new ATOM 0 H2'' DT B 8 -1.587 -16.259 14.246 1.00 0.38 H new ATOM 0 HO3' DT B 8 -3.335 -15.600 16.004 1.00 0.67 H new ATOM 0 H1' DT B 8 -1.390 -13.866 14.095 1.00 0.38 H new ATOM 0 H3 DT B 8 0.974 -13.938 10.327 1.00 0.25 H new ATOM 0 H71 DT B 8 4.410 -14.464 14.447 1.00 0.30 H new ATOM 0 H72 DT B 8 4.498 -15.887 13.381 1.00 0.30 H new ATOM 0 H73 DT B 8 4.967 -14.284 12.766 1.00 0.30 H new ATOM 0 H6 DT B 8 2.064 -14.764 14.915 1.00 0.17 H new TER 508 DT B 8 HETATM 509 N DSN C 1 2.710 -4.429 14.150 1.00 0.24 N HETATM 510 CA DSN C 1 3.344 -4.383 15.520 1.00 0.23 C HETATM 511 C DSN C 1 3.623 -3.004 16.186 1.00 0.22 C HETATM 512 O DSN C 1 3.632 -2.919 17.415 1.00 0.34 O HETATM 513 CB DSN C 1 2.295 -5.099 16.425 1.00 0.27 C HETATM 514 OG DSN C 1 1.124 -4.292 16.221 1.00 0.35 O HETATM 0 HB3 DSN C 1 2.135 -6.134 16.123 1.00 0.27 H new HETATM 0 HB2 DSN C 1 2.602 -5.116 17.471 1.00 0.27 H new HETATM 0 HA DSN C 1 4.339 -4.815 15.410 1.00 0.23 H new ATOM 519 N ALA C 2 3.854 -1.957 15.432 1.00 0.17 N ATOM 520 CA ALA C 2 4.123 -0.618 16.079 1.00 0.18 C ATOM 521 C ALA C 2 2.806 0.182 16.336 1.00 0.18 C ATOM 522 O ALA C 2 1.786 -0.178 15.743 1.00 0.23 O ATOM 523 CB ALA C 2 5.071 0.168 15.147 1.00 0.21 C ATOM 0 H ALA C 2 3.870 -1.962 14.412 1.00 0.17 H new ATOM 0 HA ALA C 2 4.582 -0.770 17.056 1.00 0.18 H new ATOM 0 HB1 ALA C 2 5.286 1.143 15.585 1.00 0.21 H new ATOM 0 HB2 ALA C 2 6.001 -0.387 15.022 1.00 0.21 H new ATOM 0 HB3 ALA C 2 4.596 0.304 14.176 1.00 0.21 H new HETATM 529 N NYB C 3 2.837 1.217 17.177 1.00 0.17 N HETATM 530 CA NYB C 3 1.593 2.005 17.513 1.00 0.19 C HETATM 531 CB NYB C 3 1.243 1.610 19.038 1.00 0.18 C HETATM 532 SG NYB C 3 2.076 2.499 20.378 1.00 0.26 S HETATM 533 CD NYB C 3 1.949 1.277 21.710 1.00 0.26 C HETATM 534 CE1 NYB C 3 2.214 1.898 23.096 1.00 0.34 C HETATM 535 CE2 NYB C 3 2.868 0.072 21.529 1.00 0.24 C HETATM 536 CF NYB C 3 2.477 -1.046 22.498 1.00 0.33 C HETATM 537 CN NYB C 3 4.080 1.679 17.904 1.00 0.23 C HETATM 538 C NYB C 3 1.804 3.555 17.297 1.00 0.19 C HETATM 539 O NYB C 3 2.060 4.294 18.251 1.00 0.21 O HETATM 0 HE22 NYB C 3 2.807 -0.289 20.503 1.00 0.24 H new HETATM 0 HE21 NYB C 3 3.903 0.367 21.702 1.00 0.24 H new HETATM 0 HE13 NYB C 3 3.218 2.321 23.119 1.00 0.34 H new HETATM 0 HE12 NYB C 3 1.484 2.685 23.288 1.00 0.34 H new HETATM 0 HE11 NYB C 3 2.127 1.128 23.862 1.00 0.34 H new HETATM 0 HN3 NYB C 3 4.284 2.720 17.651 1.00 0.23 H new HETATM 0 HN2 NYB C 3 3.927 1.590 18.979 1.00 0.23 H new HETATM 0 HN1 NYB C 3 4.927 1.061 17.606 1.00 0.23 H new HETATM 0 HF3 NYB C 3 2.562 -0.685 23.523 1.00 0.33 H new HETATM 0 HF2 NYB C 3 1.449 -1.352 22.305 1.00 0.33 H new HETATM 0 HF1 NYB C 3 3.141 -1.899 22.357 1.00 0.33 H new HETATM 0 HD NYB C 3 0.919 0.926 21.655 1.00 0.26 H new HETATM 0 HB1 NYB C 3 1.457 0.548 19.162 1.00 0.18 H new HETATM 0 HA NYB C 3 0.760 1.763 16.854 1.00 0.19 H new HETATM 554 N CPC C 4 1.696 4.047 16.063 1.00 0.21 N HETATM 555 CN CPC C 4 1.378 3.200 14.849 1.00 0.28 C HETATM 556 CA CPC C 4 1.879 5.349 15.854 1.00 0.21 C HETATM 557 CB CPC C 4 2.904 5.756 14.765 1.00 0.19 C HETATM 558 CG1 CPC C 4 3.260 5.927 16.217 1.00 0.24 C HETATM 559 CG2 CPC C 4 2.586 7.100 14.044 1.00 0.41 C HETATM 560 C CPC C 4 0.594 6.241 16.077 1.00 0.25 C HETATM 561 O CPC C 4 0.681 7.328 16.635 1.00 0.43 O HETATM 0 HG23 CPC C 4 1.616 7.029 13.553 1.00 0.41 H new HETATM 0 HG22 CPC C 4 2.564 7.909 14.775 1.00 0.41 H new HETATM 0 HG21 CPC C 4 3.355 7.304 13.299 1.00 0.41 H new HETATM 0 HG13 CPC C 4 4.022 5.302 16.682 1.00 0.24 H new HETATM 0 HG12 CPC C 4 3.351 6.921 16.656 1.00 0.24 H new HETATM 0 HCN3 CPC C 4 0.457 3.557 14.387 1.00 0.28 H new HETATM 0 HCN2 CPC C 4 2.195 3.272 14.131 1.00 0.28 H new HETATM 0 HCN1 CPC C 4 1.252 2.161 15.153 1.00 0.28 H new HETATM 0 HB CPC C 4 3.351 5.249 13.910 1.00 0.19 H new HETATM 571 N DSN C 5 -2.141 5.650 13.504 1.00 0.22 N HETATM 572 CA DSN C 5 -2.817 5.783 14.850 1.00 0.23 C HETATM 573 C DSN C 5 -3.169 4.485 15.617 1.00 0.23 C HETATM 574 O DSN C 5 -3.339 4.548 16.835 1.00 0.30 O HETATM 575 CB DSN C 5 -1.786 6.561 15.738 1.00 0.27 C HETATM 576 OG DSN C 5 -0.617 5.739 15.619 1.00 0.27 O HETATM 0 HB3 DSN C 5 -1.613 7.573 15.372 1.00 0.27 H new HETATM 0 HB2 DSN C 5 -2.121 6.649 16.772 1.00 0.27 H new HETATM 0 HA DSN C 5 -3.781 6.255 14.661 1.00 0.23 H new ATOM 581 N ALA C 6 -3.287 3.351 14.966 1.00 0.25 N ATOM 582 CA ALA C 6 -3.629 2.106 15.741 1.00 0.23 C ATOM 583 C ALA C 6 -2.344 1.334 16.190 1.00 0.19 C ATOM 584 O ALA C 6 -1.286 1.586 15.607 1.00 0.23 O ATOM 585 CB ALA C 6 -4.536 1.235 14.824 1.00 0.23 C ATOM 0 H ALA C 6 -3.166 3.230 13.960 1.00 0.25 H new ATOM 0 HA ALA C 6 -4.154 2.361 16.662 1.00 0.23 H new ATOM 0 HB1 ALA C 6 -4.809 0.319 15.347 1.00 0.23 H new ATOM 0 HB2 ALA C 6 -5.439 1.791 14.571 1.00 0.23 H new ATOM 0 HB3 ALA C 6 -3.996 0.984 13.911 1.00 0.23 H new HETATM 591 N NCY C 7 -2.447 0.436 17.167 1.00 0.20 N HETATM 592 CA NCY C 7 -1.226 -0.316 17.662 1.00 0.21 C HETATM 593 CB NCY C 7 -0.972 0.119 19.164 1.00 0.21 C HETATM 594 SG NCY C 7 -0.502 1.842 19.441 1.00 0.14 S HETATM 595 CN NCY C 7 -3.761 0.123 17.860 1.00 0.23 C HETATM 596 C NCY C 7 -1.412 -1.869 17.573 1.00 0.18 C HETATM 597 O NCY C 7 -1.767 -2.461 18.596 1.00 0.19 O HETATM 0 HCN3 NCY C 7 -3.993 -0.935 17.739 1.00 0.23 H new HETATM 0 HCN2 NCY C 7 -3.677 0.357 18.921 1.00 0.23 H new HETATM 0 HCN1 NCY C 7 -4.557 0.722 17.418 1.00 0.23 H new HETATM 0 HB3 NCY C 7 -1.879 -0.082 19.735 1.00 0.21 H new HETATM 0 HB2 NCY C 7 -0.189 -0.518 19.575 1.00 0.21 H new HETATM 0 HA NCY C 7 -0.373 -0.069 17.030 1.00 0.21 H new HETATM 604 N CPC C 8 -1.192 -2.526 16.436 1.00 0.24 N HETATM 605 CN CPC C 8 -0.750 -1.857 15.148 1.00 0.29 C HETATM 606 CA CPC C 8 -1.374 -3.844 16.402 1.00 0.27 C HETATM 607 CB CPC C 8 -2.345 -4.313 15.316 1.00 0.36 C HETATM 608 CG1 CPC C 8 -2.785 -4.394 16.738 1.00 0.36 C HETATM 609 CG2 CPC C 8 -2.040 -5.687 14.713 1.00 0.51 C HETATM 610 C CPC C 8 -0.098 -4.717 16.730 1.00 0.27 C HETATM 611 O CPC C 8 -0.192 -5.731 17.412 1.00 0.45 O HETATM 0 HG23 CPC C 8 -1.050 -5.672 14.257 1.00 0.51 H new HETATM 0 HG22 CPC C 8 -2.067 -6.443 15.498 1.00 0.51 H new HETATM 0 HG21 CPC C 8 -2.786 -5.925 13.955 1.00 0.51 H new HETATM 0 HG13 CPC C 8 -3.566 -3.737 17.121 1.00 0.36 H new HETATM 0 HG12 CPC C 8 -2.908 -5.358 17.233 1.00 0.36 H new HETATM 0 HCN3 CPC C 8 0.205 -2.276 14.830 1.00 0.29 H new HETATM 0 HCN2 CPC C 8 -1.498 -2.029 14.374 1.00 0.29 H new HETATM 0 HCN1 CPC C 8 -0.639 -0.785 15.314 1.00 0.29 H new HETATM 0 HB CPC C 8 -2.730 -3.851 14.407 1.00 0.36 H new TER 621 CPC C 8 HETATM 622 N1 HQU C 0 1.450 -4.464 11.899 1.00 0.20 N HETATM 623 C2 HQU C 0 2.760 -4.762 11.869 1.00 0.20 C HETATM 624 C3 HQU C 0 3.348 -5.073 10.635 1.00 0.18 C HETATM 625 C4 HQU C 0 2.609 -5.071 9.486 1.00 0.17 C HETATM 626 C5 HQU C 0 0.417 -4.725 8.443 1.00 0.22 C HETATM 627 C6 HQU C 0 -0.944 -4.395 8.591 1.00 0.26 C HETATM 628 C7 HQU C 0 -1.462 -4.094 9.856 1.00 0.28 C HETATM 629 C8 HQU C 0 -0.630 -4.123 10.973 1.00 0.26 C HETATM 630 C9 HQU C 0 0.704 -4.451 10.795 1.00 0.21 C HETATM 631 C10 HQU C 0 1.274 -4.759 9.550 1.00 0.18 C HETATM 632 C HQU C 0 3.427 -4.740 13.098 1.00 0.23 C HETATM 633 O1 HQU C 0 4.631 -5.009 13.098 1.00 0.26 O HETATM 634 O3 HQU C 0 4.701 -5.364 10.575 1.00 0.22 O HETATM 0 HO3 HQU C 0 4.825 -6.335 10.535 1.00 0.22 H new HETATM 0 H8 HQU C 0 -1.020 -3.893 11.965 1.00 0.26 H new HETATM 0 H7 HQU C 0 -2.515 -3.837 9.967 1.00 0.28 H new HETATM 0 H6 HQU C 0 -1.596 -4.374 7.718 1.00 0.26 H new HETATM 0 H5 HQU C 0 0.809 -4.957 7.453 1.00 0.22 H new HETATM 0 H4 HQU C 0 3.074 -5.314 8.530 1.00 0.17 H new HETATM 641 N1 HQU C 9 -0.849 5.399 11.267 1.00 0.22 N HETATM 642 C2 HQU C 9 -2.138 5.770 11.195 1.00 0.21 C HETATM 643 C3 HQU C 9 -2.703 6.000 9.931 1.00 0.20 C HETATM 644 C4 HQU C 9 -1.968 5.852 8.797 1.00 0.21 C HETATM 645 C5 HQU C 9 0.194 5.288 7.805 1.00 0.20 C HETATM 646 C6 HQU C 9 1.530 4.897 7.991 1.00 0.19 C HETATM 647 C7 HQU C 9 2.030 4.685 9.276 1.00 0.16 C HETATM 648 C8 HQU C 9 1.206 4.862 10.391 1.00 0.20 C HETATM 649 C9 HQU C 9 -0.106 5.246 10.173 1.00 0.20 C HETATM 650 C10 HQU C 9 -0.656 5.472 8.899 1.00 0.20 C HETATM 651 C HQU C 9 -2.813 5.902 12.408 1.00 0.20 C HETATM 652 O1 HQU C 9 -3.997 6.246 12.349 1.00 0.23 O HETATM 653 O3 HQU C 9 -4.030 6.375 9.817 1.00 0.19 O HETATM 0 HO3 HQU C 9 -4.103 7.349 9.899 1.00 0.19 H new HETATM 0 H8 HQU C 9 1.585 4.703 11.401 1.00 0.20 H new HETATM 0 H7 HQU C 9 3.068 4.380 9.411 1.00 0.16 H new HETATM 0 H6 HQU C 9 2.180 4.758 7.127 1.00 0.19 H new HETATM 0 H5 HQU C 9 -0.184 5.450 6.796 1.00 0.20 H new HETATM 0 H4 HQU C 9 -2.416 6.033 7.820 1.00 0.21 H new