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= -0.817 (180deg=-0.817) 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= -0.637 (180deg=-0.637) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD Single : C 0 HQU O3 : rot 102:sc= 1.32 USER MOD Single : C 9 HQU O3 : rot 37:sc= 1.65 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -1.221 -16.323 2.166 1.00 0.25 O ATOM 2 C5' DA A 1 -2.190 -17.311 2.554 1.00 0.26 C ATOM 3 C4' DA A 1 -2.944 -16.947 3.843 1.00 0.29 C ATOM 4 O4' DA A 1 -2.050 -16.979 4.985 1.00 0.32 O ATOM 5 C3' DA A 1 -3.661 -15.571 3.828 1.00 0.25 C ATOM 6 O3' DA A 1 -4.990 -15.677 4.357 1.00 0.32 O ATOM 7 C2' DA A 1 -2.748 -14.766 4.772 1.00 0.21 C ATOM 8 C1' DA A 1 -2.201 -15.788 5.777 1.00 0.25 C ATOM 9 N9 DA A 1 -0.930 -15.426 6.412 1.00 0.25 N ATOM 10 C8 DA A 1 0.239 -15.350 5.803 1.00 0.31 C ATOM 11 N7 DA A 1 1.281 -15.026 6.510 1.00 0.32 N ATOM 12 C5 DA A 1 0.702 -14.868 7.773 1.00 0.27 C ATOM 13 C6 DA A 1 1.229 -14.522 9.030 1.00 0.30 C ATOM 14 N6 DA A 1 2.509 -14.255 9.270 1.00 0.34 N ATOM 15 N1 DA A 1 0.376 -14.459 10.057 1.00 0.29 N ATOM 16 C2 DA A 1 -0.911 -14.719 9.867 1.00 0.28 C ATOM 17 N3 DA A 1 -1.529 -15.052 8.744 1.00 0.27 N ATOM 18 C4 DA A 1 -0.650 -15.111 7.720 1.00 0.24 C ATOM 0 H5' DA A 1 -1.688 -18.268 2.693 1.00 0.26 H new ATOM 0 H5'' DA A 1 -2.909 -17.443 1.745 1.00 0.26 H new ATOM 0 H4' DA A 1 -3.723 -17.706 3.917 1.00 0.29 H new ATOM 0 H3' DA A 1 -3.789 -15.133 2.838 1.00 0.25 H new ATOM 0 H2' DA A 1 -1.940 -14.285 4.221 1.00 0.21 H new ATOM 0 H2'' DA A 1 -3.304 -13.976 5.277 1.00 0.21 H new ATOM 0 HO5' DA A 1 -0.773 -16.610 1.343 1.00 0.25 H new ATOM 0 H1' DA A 1 -2.878 -15.881 6.627 1.00 0.25 H new ATOM 0 H8 DA A 1 0.327 -15.552 4.746 1.00 0.31 H new ATOM 0 H61 DA A 1 2.811 -14.011 10.213 1.00 0.34 H new ATOM 0 H62 DA A 1 3.189 -14.294 8.511 1.00 0.34 H new ATOM 0 H2 DA A 1 -1.538 -14.650 10.744 1.00 0.28 H new ATOM 31 P DC A 2 -5.969 -14.403 4.508 1.00 0.31 P ATOM 32 OP1 DC A 2 -7.347 -14.911 4.698 1.00 0.35 O ATOM 33 OP2 DC A 2 -5.683 -13.439 3.422 1.00 0.30 O ATOM 34 O5' DC A 2 -5.440 -13.745 5.877 1.00 0.33 O ATOM 35 C5' DC A 2 -5.814 -14.233 7.168 1.00 0.37 C ATOM 36 C4' DC A 2 -5.746 -13.105 8.217 1.00 0.35 C ATOM 37 O4' DC A 2 -4.437 -12.968 8.761 1.00 0.35 O ATOM 38 C3' DC A 2 -6.353 -11.718 7.989 1.00 0.38 C ATOM 39 O3' DC A 2 -7.484 -11.498 8.854 1.00 0.44 O ATOM 40 C2' DC A 2 -5.125 -10.791 8.258 1.00 0.35 C ATOM 41 C1' DC A 2 -4.219 -11.630 9.201 1.00 0.35 C ATOM 42 N1 DC A 2 -2.749 -11.506 8.986 1.00 0.33 N ATOM 43 C2 DC A 2 -1.928 -11.241 10.076 1.00 0.33 C ATOM 44 O2 DC A 2 -2.372 -11.075 11.209 1.00 0.34 O ATOM 45 N3 DC A 2 -0.586 -11.165 9.872 1.00 0.34 N ATOM 46 C4 DC A 2 -0.063 -11.336 8.657 1.00 0.31 C ATOM 47 N4 DC A 2 1.249 -11.264 8.502 1.00 0.35 N ATOM 48 C5 DC A 2 -0.880 -11.605 7.529 1.00 0.31 C ATOM 49 C6 DC A 2 -2.210 -11.681 7.736 1.00 0.33 C ATOM 0 H5' DC A 2 -5.152 -15.048 7.460 1.00 0.37 H new ATOM 0 H5'' DC A 2 -6.824 -14.641 7.130 1.00 0.37 H new ATOM 0 H4' DC A 2 -6.482 -13.521 8.905 1.00 0.35 H new ATOM 0 H3' DC A 2 -6.779 -11.547 7.001 1.00 0.38 H new ATOM 0 H2' DC A 2 -4.609 -10.534 7.333 1.00 0.35 H new ATOM 0 H2'' DC A 2 -5.427 -9.854 8.725 1.00 0.35 H new ATOM 0 H1' DC A 2 -4.459 -11.327 10.220 1.00 0.35 H new ATOM 0 H41 DC A 2 1.661 -11.393 7.578 1.00 0.35 H new ATOM 0 H42 DC A 2 1.848 -11.080 9.307 1.00 0.35 H new ATOM 0 H5 DC A 2 -0.455 -11.743 6.546 1.00 0.31 H new ATOM 0 H6 DC A 2 -2.865 -11.884 6.901 1.00 0.33 H new ATOM 61 P DA A 3 -7.490 -11.263 10.454 1.00 0.32 P ATOM 62 OP1 DA A 3 -6.722 -12.352 11.103 1.00 0.61 O ATOM 63 OP2 DA A 3 -8.877 -10.956 10.887 1.00 0.61 O ATOM 64 O5' DA A 3 -6.620 -9.912 10.567 1.00 0.38 O ATOM 65 C5' DA A 3 -6.563 -9.228 11.818 1.00 0.45 C ATOM 66 C4' DA A 3 -5.602 -8.067 11.788 1.00 0.50 C ATOM 67 O4' DA A 3 -4.232 -8.472 11.564 1.00 0.48 O ATOM 68 C3' DA A 3 -5.897 -7.080 10.685 1.00 0.53 C ATOM 69 O3' DA A 3 -6.913 -6.156 11.094 1.00 0.68 O ATOM 70 C2' DA A 3 -4.529 -6.413 10.466 1.00 0.52 C ATOM 71 C1' DA A 3 -3.490 -7.304 11.164 1.00 0.50 C ATOM 72 N9 DA A 3 -2.326 -7.640 10.316 1.00 0.47 N ATOM 73 C8 DA A 3 -2.200 -7.883 8.974 1.00 0.49 C ATOM 74 N7 DA A 3 -0.999 -8.130 8.548 1.00 0.48 N ATOM 75 C5 DA A 3 -0.248 -8.043 9.717 1.00 0.45 C ATOM 76 C6 DA A 3 1.121 -8.196 9.985 1.00 0.42 C ATOM 77 N6 DA A 3 2.044 -8.461 9.070 1.00 0.42 N ATOM 78 N1 DA A 3 1.525 -8.046 11.250 1.00 0.43 N ATOM 79 C2 DA A 3 0.639 -7.760 12.196 1.00 0.46 C ATOM 80 N3 DA A 3 -0.666 -7.590 12.072 1.00 0.48 N ATOM 81 C4 DA A 3 -1.049 -7.749 10.788 1.00 0.47 C ATOM 0 H5' DA A 3 -6.262 -9.927 12.599 1.00 0.45 H new ATOM 0 H5'' DA A 3 -7.558 -8.867 12.079 1.00 0.45 H new ATOM 0 H4' DA A 3 -5.732 -7.617 12.772 1.00 0.50 H new ATOM 0 H3' DA A 3 -6.291 -7.524 9.771 1.00 0.53 H new ATOM 0 H2' DA A 3 -4.309 -6.321 9.402 1.00 0.52 H new ATOM 0 H2'' DA A 3 -4.518 -5.406 10.882 1.00 0.52 H new ATOM 0 H1' DA A 3 -3.035 -6.788 12.009 1.00 0.50 H new ATOM 0 H8 DA A 3 -3.051 -7.870 8.309 1.00 0.49 H new ATOM 0 H61 DA A 3 3.021 -8.558 9.345 1.00 0.42 H new ATOM 0 H62 DA A 3 1.776 -8.568 8.092 1.00 0.42 H new ATOM 0 H2 DA A 3 1.035 -7.652 13.195 1.00 0.46 H new ATOM 93 P DC A 4 -7.310 -4.852 10.225 1.00 0.64 P ATOM 94 OP1 DC A 4 -8.611 -4.351 10.727 1.00 0.77 O ATOM 95 OP2 DC A 4 -7.148 -5.177 8.788 1.00 0.70 O ATOM 96 O5' DC A 4 -6.146 -3.799 10.623 1.00 0.45 O ATOM 97 C5' DC A 4 -6.047 -3.240 11.942 1.00 0.38 C ATOM 98 C4' DC A 4 -5.337 -1.892 11.950 1.00 0.27 C ATOM 99 O4' DC A 4 -3.987 -2.059 11.521 1.00 0.22 O ATOM 100 C3' DC A 4 -5.956 -0.894 10.982 1.00 0.24 C ATOM 101 O3' DC A 4 -7.093 -0.246 11.551 1.00 0.34 O ATOM 102 C2' DC A 4 -4.787 0.040 10.741 1.00 0.19 C ATOM 103 C1' DC A 4 -3.539 -0.789 11.056 1.00 0.14 C ATOM 104 N1 DC A 4 -2.653 -0.990 9.899 1.00 0.19 N ATOM 105 C2 DC A 4 -1.288 -0.876 10.098 1.00 0.17 C ATOM 106 O2 DC A 4 -0.794 -0.656 11.201 1.00 0.21 O ATOM 107 N3 DC A 4 -0.474 -1.032 9.033 1.00 0.25 N ATOM 108 C4 DC A 4 -0.967 -1.288 7.821 1.00 0.33 C ATOM 109 N4 DC A 4 -0.117 -1.403 6.812 1.00 0.38 N ATOM 110 C5 DC A 4 -2.369 -1.416 7.600 1.00 0.39 C ATOM 111 C6 DC A 4 -3.170 -1.257 8.666 1.00 0.32 C ATOM 0 H5' DC A 4 -5.510 -3.934 12.588 1.00 0.38 H new ATOM 0 H5'' DC A 4 -7.047 -3.123 12.360 1.00 0.38 H new ATOM 0 H4' DC A 4 -5.417 -1.517 12.970 1.00 0.27 H new ATOM 0 H3' DC A 4 -6.355 -1.328 10.065 1.00 0.24 H new ATOM 0 H2' DC A 4 -4.773 0.396 9.711 1.00 0.19 H new ATOM 0 H2'' DC A 4 -4.847 0.920 11.382 1.00 0.19 H new ATOM 0 H1' DC A 4 -2.952 -0.247 11.797 1.00 0.14 H new ATOM 0 H41 DC A 4 -0.464 -1.599 5.873 1.00 0.38 H new ATOM 0 H42 DC A 4 0.884 -1.296 6.974 1.00 0.38 H new ATOM 0 H5 DC A 4 -2.769 -1.631 6.620 1.00 0.39 H new ATOM 0 H6 DC A 4 -4.240 -1.342 8.545 1.00 0.32 H new ATOM 123 P DG A 5 -8.123 0.602 10.642 1.00 0.31 P ATOM 124 OP1 DG A 5 -9.043 -0.359 9.994 1.00 0.42 O ATOM 125 OP2 DG A 5 -7.358 1.554 9.803 1.00 0.35 O ATOM 126 O5' DG A 5 -8.978 1.417 11.748 1.00 0.45 O ATOM 127 C5' DG A 5 -8.430 1.850 13.007 1.00 0.44 C ATOM 128 C4' DG A 5 -7.444 3.003 12.903 1.00 0.30 C ATOM 129 O4' DG A 5 -6.316 2.643 12.094 1.00 0.29 O ATOM 130 C3' DG A 5 -8.038 4.289 12.312 1.00 0.22 C ATOM 131 O3' DG A 5 -8.152 5.280 13.327 1.00 0.33 O ATOM 132 C2' DG A 5 -6.969 4.725 11.308 1.00 0.24 C ATOM 133 C1' DG A 5 -5.749 3.857 11.608 1.00 0.22 C ATOM 134 N9 DG A 5 -4.890 3.518 10.439 1.00 0.20 N ATOM 135 C8 DG A 5 -5.166 3.548 9.091 1.00 0.24 C ATOM 136 N7 DG A 5 -4.206 3.204 8.299 1.00 0.29 N ATOM 137 C5 DG A 5 -3.178 2.909 9.186 1.00 0.23 C ATOM 138 C6 DG A 5 -1.863 2.472 8.907 1.00 0.24 C ATOM 139 O6 DG A 5 -1.333 2.254 7.824 1.00 0.28 O ATOM 140 N1 DG A 5 -1.132 2.285 10.048 1.00 0.23 N ATOM 141 C2 DG A 5 -1.589 2.483 11.322 1.00 0.22 C ATOM 142 N2 DG A 5 -0.717 2.216 12.284 1.00 0.26 N ATOM 143 N3 DG A 5 -2.831 2.898 11.617 1.00 0.20 N ATOM 144 C4 DG A 5 -3.575 3.092 10.493 1.00 0.18 C ATOM 0 H5' DG A 5 -7.932 1.005 13.482 1.00 0.44 H new ATOM 0 H5'' DG A 5 -9.249 2.147 13.662 1.00 0.44 H new ATOM 0 H4' DG A 5 -7.153 3.204 13.934 1.00 0.30 H new ATOM 0 H3' DG A 5 -9.027 4.148 11.877 1.00 0.22 H new ATOM 0 H2' DG A 5 -7.311 4.580 10.283 1.00 0.24 H new ATOM 0 H2'' DG A 5 -6.734 5.784 11.419 1.00 0.24 H new ATOM 0 H1' DG A 5 -5.091 4.399 12.287 1.00 0.22 H new ATOM 0 H8 DG A 5 -6.134 3.844 8.715 1.00 0.24 H new ATOM 0 H1 DG A 5 -0.167 1.972 9.940 1.00 0.23 H new ATOM 0 H21 DG A 5 -0.982 2.339 13.261 1.00 0.26 H new ATOM 0 H22 DG A 5 0.219 1.888 12.047 1.00 0.26 H new ATOM 156 P DT A 6 -9.443 6.252 13.421 1.00 0.18 P ATOM 157 OP1 DT A 6 -10.655 5.429 13.193 1.00 0.47 O ATOM 158 OP2 DT A 6 -9.194 7.449 12.579 1.00 0.31 O ATOM 159 O5' DT A 6 -9.447 6.687 14.986 1.00 0.21 O ATOM 160 C5' DT A 6 -8.401 6.342 15.919 1.00 0.20 C ATOM 161 C4' DT A 6 -7.230 7.323 15.863 1.00 0.24 C ATOM 162 O4' DT A 6 -6.548 7.319 14.592 1.00 0.26 O ATOM 163 C3' DT A 6 -7.679 8.749 16.124 1.00 0.24 C ATOM 164 O3' DT A 6 -7.185 9.105 17.415 1.00 0.49 O ATOM 165 C2' DT A 6 -7.025 9.505 14.976 1.00 0.22 C ATOM 166 C1' DT A 6 -5.931 8.608 14.438 1.00 0.19 C ATOM 167 N1 DT A 6 -5.589 8.838 13.000 1.00 0.18 N ATOM 168 C2 DT A 6 -4.249 9.021 12.647 1.00 0.19 C ATOM 169 O2 DT A 6 -3.323 9.021 13.452 1.00 0.26 O ATOM 170 N3 DT A 6 -3.979 9.207 11.307 1.00 0.22 N ATOM 171 C4 DT A 6 -4.897 9.234 10.294 1.00 0.23 C ATOM 172 O4 DT A 6 -4.502 9.421 9.145 1.00 0.29 O ATOM 173 C5 DT A 6 -6.267 9.037 10.726 1.00 0.22 C ATOM 174 C7 DT A 6 -7.374 9.031 9.671 1.00 0.30 C ATOM 175 C6 DT A 6 -6.570 8.851 12.034 1.00 0.21 C ATOM 0 H5' DT A 6 -8.041 5.336 15.703 1.00 0.20 H new ATOM 0 H5'' DT A 6 -8.809 6.324 16.929 1.00 0.20 H new ATOM 0 H4' DT A 6 -6.548 6.981 16.642 1.00 0.24 H new ATOM 0 H3' DT A 6 -8.751 8.943 16.146 1.00 0.24 H new ATOM 0 H2' DT A 6 -7.754 9.737 14.199 1.00 0.22 H new ATOM 0 H2'' DT A 6 -6.614 10.454 15.321 1.00 0.22 H new ATOM 0 H1' DT A 6 -4.982 8.763 14.951 1.00 0.19 H new ATOM 0 H3 DT A 6 -3.001 9.337 11.047 1.00 0.22 H new ATOM 0 H71 DT A 6 -8.188 8.386 10.002 1.00 0.30 H new ATOM 0 H72 DT A 6 -7.748 10.045 9.531 1.00 0.30 H new ATOM 0 H73 DT A 6 -6.976 8.658 8.728 1.00 0.30 H new ATOM 0 H6 DT A 6 -7.601 8.710 12.324 1.00 0.21 H new ATOM 188 P DG A 7 -7.348 10.551 18.092 1.00 0.54 P ATOM 189 OP1 DG A 7 -7.478 10.343 19.552 1.00 0.75 O ATOM 190 OP2 DG A 7 -8.376 11.323 17.352 1.00 0.57 O ATOM 191 O5' DG A 7 -5.918 11.212 17.776 1.00 0.48 O ATOM 192 C5' DG A 7 -4.711 10.811 18.440 1.00 0.50 C ATOM 193 C4' DG A 7 -3.503 11.493 17.832 1.00 0.44 C ATOM 194 O4' DG A 7 -3.336 11.149 16.432 1.00 0.38 O ATOM 195 C3' DG A 7 -3.669 13.030 17.911 1.00 0.46 C ATOM 196 O3' DG A 7 -2.443 13.666 18.330 1.00 0.48 O ATOM 197 C2' DG A 7 -4.025 13.320 16.477 1.00 0.41 C ATOM 198 C1' DG A 7 -3.108 12.382 15.745 1.00 0.38 C ATOM 199 N9 DG A 7 -3.338 12.352 14.299 1.00 0.36 N ATOM 200 C8 DG A 7 -4.492 12.477 13.589 1.00 0.34 C ATOM 201 N7 DG A 7 -4.378 12.409 12.299 1.00 0.32 N ATOM 202 C5 DG A 7 -3.003 12.224 12.139 1.00 0.32 C ATOM 203 C6 DG A 7 -2.239 12.077 10.956 1.00 0.31 C ATOM 204 O6 DG A 7 -2.616 12.068 9.789 1.00 0.34 O ATOM 205 N1 DG A 7 -0.893 11.915 11.228 1.00 0.33 N ATOM 206 C2 DG A 7 -0.335 11.890 12.482 1.00 0.38 C ATOM 207 N2 DG A 7 0.976 11.720 12.573 1.00 0.44 N ATOM 208 N3 DG A 7 -1.042 12.025 13.601 1.00 0.39 N ATOM 209 C4 DG A 7 -2.364 12.187 13.354 1.00 0.34 C ATOM 0 H5' DG A 7 -4.596 9.729 18.370 1.00 0.50 H new ATOM 0 H5'' DG A 7 -4.776 11.057 19.500 1.00 0.50 H new ATOM 0 H4' DG A 7 -2.633 11.156 18.396 1.00 0.44 H new ATOM 0 H3' DG A 7 -4.399 13.395 18.634 1.00 0.46 H new ATOM 0 H2' DG A 7 -5.075 13.116 16.266 1.00 0.41 H new ATOM 0 H2'' DG A 7 -3.843 14.362 16.212 1.00 0.41 H new ATOM 0 H1' DG A 7 -2.058 12.675 15.767 1.00 0.38 H new ATOM 0 H8 DG A 7 -5.447 12.624 14.072 1.00 0.34 H new ATOM 0 H1 DG A 7 -0.264 11.805 10.433 1.00 0.33 H new ATOM 0 H21 DG A 7 1.425 11.696 13.489 1.00 0.44 H new ATOM 0 H22 DG A 7 1.536 11.613 11.727 1.00 0.44 H new ATOM 221 P DT A 8 -2.226 15.275 18.322 1.00 0.47 P ATOM 222 OP1 DT A 8 -3.165 15.857 19.309 1.00 0.60 O ATOM 223 OP2 DT A 8 -2.257 15.740 16.917 1.00 0.51 O ATOM 224 O5' DT A 8 -0.730 15.535 18.895 1.00 0.39 O ATOM 225 C5' DT A 8 0.436 14.764 18.556 1.00 0.31 C ATOM 226 C4' DT A 8 1.038 15.009 17.166 1.00 0.17 C ATOM 227 O4' DT A 8 0.314 14.593 15.991 1.00 0.14 O ATOM 228 C3' DT A 8 1.492 16.443 16.948 1.00 0.33 C ATOM 229 O3' DT A 8 2.916 16.526 17.017 1.00 0.73 O ATOM 230 C2' DT A 8 1.000 16.748 15.540 1.00 0.14 C ATOM 231 C1' DT A 8 0.813 15.388 14.891 1.00 0.10 C ATOM 232 N1 DT A 8 -0.208 15.442 13.829 1.00 0.16 N ATOM 233 C2 DT A 8 0.194 15.264 12.520 1.00 0.22 C ATOM 234 O2 DT A 8 1.359 15.077 12.186 1.00 0.28 O ATOM 235 N3 DT A 8 -0.801 15.313 11.580 1.00 0.26 N ATOM 236 C4 DT A 8 -2.135 15.520 11.811 1.00 0.25 C ATOM 237 O4 DT A 8 -2.904 15.513 10.854 1.00 0.30 O ATOM 238 C5 DT A 8 -2.476 15.703 13.206 1.00 0.20 C ATOM 239 C7 DT A 8 -3.925 15.976 13.618 1.00 0.24 C ATOM 240 C6 DT A 8 -1.515 15.656 14.151 1.00 0.16 C ATOM 0 H5' DT A 8 0.181 13.707 18.636 1.00 0.31 H new ATOM 0 H5'' DT A 8 1.206 14.964 19.301 1.00 0.31 H new ATOM 0 H4' DT A 8 1.874 14.314 17.240 1.00 0.17 H new ATOM 0 H3' DT A 8 1.110 17.140 17.694 1.00 0.33 H new ATOM 0 H2' DT A 8 0.065 17.308 15.560 1.00 0.14 H new ATOM 0 H2'' DT A 8 1.722 17.352 14.991 1.00 0.14 H new ATOM 0 HO3' DT A 8 3.197 17.454 16.873 1.00 0.73 H new ATOM 0 H1' DT A 8 1.722 15.008 14.426 1.00 0.10 H new ATOM 0 H3 DT A 8 -0.520 15.182 10.608 1.00 0.26 H new ATOM 0 H71 DT A 8 -4.102 15.573 14.615 1.00 0.24 H new ATOM 0 H72 DT A 8 -4.105 17.051 13.623 1.00 0.24 H new ATOM 0 H73 DT A 8 -4.601 15.498 12.909 1.00 0.24 H new ATOM 0 H6 DT A 8 -1.787 15.791 15.187 1.00 0.16 H new TER 254 DT A 8 ATOM 255 O5' DA B 1 0.942 15.915 0.668 1.00 0.57 O ATOM 256 C5' DA B 1 1.852 17.013 0.852 1.00 0.55 C ATOM 257 C4' DA B 1 2.641 16.933 2.168 1.00 0.39 C ATOM 258 O4' DA B 1 1.759 17.104 3.308 1.00 0.33 O ATOM 259 C3' DA B 1 3.451 15.628 2.372 1.00 0.29 C ATOM 260 O3' DA B 1 4.778 15.902 2.844 1.00 0.29 O ATOM 261 C2' DA B 1 2.604 14.947 3.459 1.00 0.23 C ATOM 262 C1' DA B 1 1.998 16.081 4.288 1.00 0.22 C ATOM 263 N9 DA B 1 0.764 15.748 5.003 1.00 0.18 N ATOM 264 C8 DA B 1 -0.406 15.491 4.443 1.00 0.18 C ATOM 265 N7 DA B 1 -1.412 15.227 5.222 1.00 0.15 N ATOM 266 C5 DA B 1 -0.808 15.325 6.479 1.00 0.14 C ATOM 267 C6 DA B 1 -1.293 15.166 7.792 1.00 0.14 C ATOM 268 N6 DA B 1 -2.549 14.867 8.108 1.00 0.14 N ATOM 269 N1 DA B 1 -0.423 15.337 8.791 1.00 0.18 N ATOM 270 C2 DA B 1 0.839 15.644 8.525 1.00 0.20 C ATOM 271 N3 DA B 1 1.419 15.822 7.347 1.00 0.19 N ATOM 272 C4 DA B 1 0.523 15.645 6.352 1.00 0.16 C ATOM 0 H5' DA B 1 1.292 17.948 0.828 1.00 0.55 H new ATOM 0 H5'' DA B 1 2.552 17.039 0.017 1.00 0.55 H new ATOM 0 H4' DA B 1 3.364 17.745 2.095 1.00 0.39 H new ATOM 0 H3' DA B 1 3.600 15.038 1.468 1.00 0.29 H new ATOM 0 H2' DA B 1 1.825 14.327 3.016 1.00 0.23 H new ATOM 0 H2'' DA B 1 3.217 14.293 4.080 1.00 0.23 H new ATOM 0 HO5' DA B 1 0.469 16.022 -0.183 1.00 0.57 H new ATOM 0 H1' DA B 1 2.672 16.363 5.097 1.00 0.22 H new ATOM 0 H8 DA B 1 -0.522 15.500 3.369 1.00 0.18 H new ATOM 0 H61 DA B 1 -2.819 14.769 9.087 1.00 0.14 H new ATOM 0 H62 DA B 1 -3.243 14.735 7.372 1.00 0.14 H new ATOM 0 H2 DA B 1 1.481 15.765 9.385 1.00 0.20 H new ATOM 285 P DC B 2 5.825 14.716 3.191 1.00 0.24 P ATOM 286 OP1 DC B 2 7.166 15.324 3.353 1.00 0.26 O ATOM 287 OP2 DC B 2 5.632 13.602 2.237 1.00 0.33 O ATOM 288 O5' DC B 2 5.278 14.216 4.617 1.00 0.21 O ATOM 289 C5' DC B 2 5.573 14.897 5.839 1.00 0.17 C ATOM 290 C4' DC B 2 5.518 13.916 7.034 1.00 0.17 C ATOM 291 O4' DC B 2 4.193 13.782 7.549 1.00 0.18 O ATOM 292 C3' DC B 2 6.209 12.546 7.015 1.00 0.21 C ATOM 293 O3' DC B 2 7.248 12.550 8.007 1.00 0.27 O ATOM 294 C2' DC B 2 5.021 11.597 7.374 1.00 0.20 C ATOM 295 C1' DC B 2 4.034 12.503 8.161 1.00 0.18 C ATOM 296 N1 DC B 2 2.583 12.262 7.913 1.00 0.20 N ATOM 297 C2 DC B 2 1.737 12.103 8.997 1.00 0.29 C ATOM 298 O2 DC B 2 2.147 12.115 10.154 1.00 0.39 O ATOM 299 N3 DC B 2 0.412 11.925 8.762 1.00 0.34 N ATOM 300 C4 DC B 2 -0.072 11.898 7.519 1.00 0.29 C ATOM 301 N4 DC B 2 -1.373 11.724 7.328 1.00 0.39 N ATOM 302 C5 DC B 2 0.775 12.054 6.393 1.00 0.19 C ATOM 303 C6 DC B 2 2.088 12.230 6.636 1.00 0.15 C ATOM 0 H5' DC B 2 4.859 15.706 5.992 1.00 0.17 H new ATOM 0 H5'' DC B 2 6.562 15.351 5.779 1.00 0.17 H new ATOM 0 H4' DC B 2 6.200 14.460 7.688 1.00 0.17 H new ATOM 0 H3' DC B 2 6.696 12.258 6.083 1.00 0.21 H new ATOM 0 H2' DC B 2 4.556 11.185 6.479 1.00 0.20 H new ATOM 0 H2'' DC B 2 5.354 10.753 7.977 1.00 0.20 H new ATOM 0 H1' DC B 2 4.251 12.357 9.219 1.00 0.18 H new ATOM 0 H41 DC B 2 -1.751 11.702 6.381 1.00 0.39 H new ATOM 0 H42 DC B 2 -1.995 11.612 8.128 1.00 0.39 H new ATOM 0 H5 DC B 2 0.385 12.033 5.386 1.00 0.19 H new ATOM 0 H6 DC B 2 2.767 12.349 5.804 1.00 0.15 H new ATOM 315 P DA B 3 8.287 11.336 8.181 1.00 0.23 P ATOM 316 OP1 DA B 3 9.210 11.663 9.294 1.00 0.27 O ATOM 317 OP2 DA B 3 8.834 11.005 6.846 1.00 0.26 O ATOM 318 O5' DA B 3 7.310 10.135 8.646 1.00 0.28 O ATOM 319 C5' DA B 3 7.085 9.807 10.025 1.00 0.37 C ATOM 320 C4' DA B 3 5.908 8.877 10.244 1.00 0.37 C ATOM 321 O4' DA B 3 4.605 9.455 9.954 1.00 0.31 O ATOM 322 C3' DA B 3 5.970 7.666 9.339 1.00 0.35 C ATOM 323 O3' DA B 3 6.779 6.606 9.854 1.00 0.47 O ATOM 324 C2' DA B 3 4.504 7.229 9.280 1.00 0.36 C ATOM 325 C1' DA B 3 3.672 8.356 9.887 1.00 0.32 C ATOM 326 N9 DA B 3 2.463 8.602 9.074 1.00 0.21 N ATOM 327 C8 DA B 3 2.274 8.739 7.723 1.00 0.20 C ATOM 328 N7 DA B 3 1.045 8.908 7.336 1.00 0.21 N ATOM 329 C5 DA B 3 0.348 8.883 8.547 1.00 0.23 C ATOM 330 C6 DA B 3 -1.013 9.006 8.870 1.00 0.30 C ATOM 331 N6 DA B 3 -1.978 9.166 7.974 1.00 0.37 N ATOM 332 N1 DA B 3 -1.363 8.940 10.159 1.00 0.32 N ATOM 333 C2 DA B 3 -0.428 8.760 11.081 1.00 0.30 C ATOM 334 N3 DA B 3 0.878 8.628 10.907 1.00 0.28 N ATOM 335 C4 DA B 3 1.203 8.701 9.598 1.00 0.21 C ATOM 0 H5' DA B 3 6.920 10.727 10.586 1.00 0.37 H new ATOM 0 H5'' DA B 3 7.984 9.343 10.431 1.00 0.37 H new ATOM 0 H4' DA B 3 5.996 8.640 11.304 1.00 0.37 H new ATOM 0 H3' DA B 3 6.423 7.903 8.376 1.00 0.35 H new ATOM 0 H2' DA B 3 4.201 7.038 8.251 1.00 0.36 H new ATOM 0 H2'' DA B 3 4.357 6.301 9.833 1.00 0.36 H new ATOM 0 H1' DA B 3 3.263 8.148 10.876 1.00 0.32 H new ATOM 0 H8 DA B 3 3.096 8.708 7.023 1.00 0.20 H new ATOM 0 H61 DA B 3 -2.948 9.249 8.278 1.00 0.37 H new ATOM 0 H62 DA B 3 -1.750 9.206 6.981 1.00 0.37 H new ATOM 0 H2 DA B 3 -0.775 8.715 12.103 1.00 0.30 H new ATOM 347 P DC B 4 7.317 5.472 8.830 1.00 0.51 P ATOM 348 OP1 DC B 4 8.387 6.089 8.013 1.00 0.45 O ATOM 349 OP2 DC B 4 6.150 4.848 8.159 1.00 0.72 O ATOM 350 O5' DC B 4 8.049 4.372 9.759 1.00 0.57 O ATOM 351 C5' DC B 4 7.779 4.112 11.146 1.00 0.57 C ATOM 352 C4' DC B 4 6.731 3.028 11.379 1.00 0.43 C ATOM 353 O4' DC B 4 5.402 3.322 10.914 1.00 0.44 O ATOM 354 C3' DC B 4 7.112 1.757 10.661 1.00 0.32 C ATOM 355 O3' DC B 4 8.108 1.074 11.426 1.00 0.27 O ATOM 356 C2' DC B 4 5.798 1.009 10.666 1.00 0.32 C ATOM 357 C1' DC B 4 4.710 2.053 10.852 1.00 0.38 C ATOM 358 N1 DC B 4 3.744 1.982 9.743 1.00 0.28 N ATOM 359 C2 DC B 4 2.389 1.851 10.019 1.00 0.26 C ATOM 360 O2 DC B 4 1.954 1.772 11.168 1.00 0.29 O ATOM 361 N3 DC B 4 1.529 1.815 8.975 1.00 0.23 N ATOM 362 C4 DC B 4 1.980 1.904 7.720 1.00 0.25 C ATOM 363 N4 DC B 4 1.116 1.888 6.722 1.00 0.33 N ATOM 364 C5 DC B 4 3.364 2.034 7.423 1.00 0.23 C ATOM 365 C6 DC B 4 4.205 2.065 8.469 1.00 0.24 C ATOM 0 H5' DC B 4 7.445 5.035 11.620 1.00 0.57 H new ATOM 0 H5'' DC B 4 8.706 3.819 11.638 1.00 0.57 H new ATOM 0 H4' DC B 4 6.713 2.945 12.466 1.00 0.43 H new ATOM 0 H3' DC B 4 7.530 1.885 9.663 1.00 0.32 H new ATOM 0 H2' DC B 4 5.658 0.464 9.732 1.00 0.32 H new ATOM 0 H2'' DC B 4 5.773 0.274 11.471 1.00 0.32 H new ATOM 0 H1' DC B 4 4.124 1.899 11.758 1.00 0.38 H new ATOM 0 H41 DC B 4 1.447 1.955 5.760 1.00 0.33 H new ATOM 0 H42 DC B 4 0.117 1.808 6.913 1.00 0.33 H new ATOM 0 H5 DC B 4 3.721 2.104 6.406 1.00 0.23 H new ATOM 0 H6 DC B 4 5.267 2.158 8.294 1.00 0.24 H new ATOM 377 P DG B 5 9.167 0.050 10.764 1.00 0.33 P ATOM 378 OP1 DG B 5 10.214 0.863 10.103 1.00 0.45 O ATOM 379 OP2 DG B 5 8.436 -0.981 9.991 1.00 0.54 O ATOM 380 O5' DG B 5 9.876 -0.650 12.038 1.00 0.39 O ATOM 381 C5' DG B 5 9.268 -0.916 13.314 1.00 0.40 C ATOM 382 C4' DG B 5 8.221 -2.003 13.322 1.00 0.39 C ATOM 383 O4' DG B 5 7.079 -1.648 12.521 1.00 0.46 O ATOM 384 C3' DG B 5 8.804 -3.322 12.813 1.00 0.38 C ATOM 385 O3' DG B 5 8.786 -4.324 13.829 1.00 0.56 O ATOM 386 C2' DG B 5 7.830 -3.689 11.722 1.00 0.59 C ATOM 387 C1' DG B 5 6.582 -2.878 11.999 1.00 0.50 C ATOM 388 N9 DG B 5 5.787 -2.630 10.777 1.00 0.42 N ATOM 389 C8 DG B 5 6.081 -2.806 9.438 1.00 0.45 C ATOM 390 N7 DG B 5 5.146 -2.530 8.609 1.00 0.41 N ATOM 391 C5 DG B 5 4.125 -2.128 9.449 1.00 0.36 C ATOM 392 C6 DG B 5 2.844 -1.705 9.104 1.00 0.39 C ATOM 393 O6 DG B 5 2.355 -1.605 7.986 1.00 0.49 O ATOM 394 N1 DG B 5 2.098 -1.383 10.208 1.00 0.35 N ATOM 395 C2 DG B 5 2.524 -1.451 11.506 1.00 0.31 C ATOM 396 N2 DG B 5 1.638 -1.074 12.416 1.00 0.32 N ATOM 397 N3 DG B 5 3.746 -1.854 11.866 1.00 0.35 N ATOM 398 C4 DG B 5 4.495 -2.178 10.774 1.00 0.35 C ATOM 0 H5' DG B 5 8.813 0.005 13.679 1.00 0.40 H new ATOM 0 H5'' DG B 5 10.052 -1.186 14.021 1.00 0.40 H new ATOM 0 H4' DG B 5 7.896 -2.124 14.355 1.00 0.39 H new ATOM 0 H3' DG B 5 9.842 -3.239 12.492 1.00 0.38 H new ATOM 0 H2' DG B 5 8.238 -3.457 10.738 1.00 0.59 H new ATOM 0 H2'' DG B 5 7.614 -4.757 11.733 1.00 0.59 H new ATOM 0 H1' DG B 5 5.910 -3.401 12.679 1.00 0.50 H new ATOM 0 H8 DG B 5 7.048 -3.158 9.109 1.00 0.45 H new ATOM 0 H1 DG B 5 1.142 -1.065 10.048 1.00 0.35 H new ATOM 0 H21 DG B 5 1.882 -1.097 13.406 1.00 0.32 H new ATOM 0 H22 DG B 5 0.711 -0.761 12.127 1.00 0.32 H new ATOM 410 P DT B 6 10.172 -4.780 14.530 1.00 0.73 P ATOM 411 OP1 DT B 6 10.836 -3.579 15.089 1.00 0.97 O ATOM 412 OP2 DT B 6 10.892 -5.661 13.584 1.00 0.93 O ATOM 413 O5' DT B 6 9.678 -5.685 15.754 1.00 0.58 O ATOM 414 C5' DT B 6 8.725 -5.196 16.706 1.00 0.51 C ATOM 415 C4' DT B 6 7.469 -6.051 16.690 1.00 0.37 C ATOM 416 O4' DT B 6 6.779 -6.038 15.418 1.00 0.38 O ATOM 417 C3' DT B 6 7.793 -7.499 17.011 1.00 0.34 C ATOM 418 O3' DT B 6 7.293 -7.813 18.306 1.00 0.52 O ATOM 419 C2' DT B 6 7.099 -8.251 15.892 1.00 0.30 C ATOM 420 C1' DT B 6 6.085 -7.290 15.318 1.00 0.31 C ATOM 421 N1 DT B 6 5.720 -7.600 13.912 1.00 0.31 N ATOM 422 C2 DT B 6 4.380 -7.782 13.594 1.00 0.33 C ATOM 423 O2 DT B 6 3.472 -7.704 14.414 1.00 0.41 O ATOM 424 N3 DT B 6 4.093 -8.063 12.280 1.00 0.30 N ATOM 425 C4 DT B 6 4.992 -8.181 11.263 1.00 0.30 C ATOM 426 O4 DT B 6 4.565 -8.453 10.145 1.00 0.33 O ATOM 427 C5 DT B 6 6.372 -7.976 11.668 1.00 0.34 C ATOM 428 C7 DT B 6 7.498 -8.054 10.646 1.00 0.47 C ATOM 429 C6 DT B 6 6.684 -7.699 12.949 1.00 0.32 C ATOM 0 H5' DT B 6 8.471 -4.161 16.476 1.00 0.51 H new ATOM 0 H5'' DT B 6 9.163 -5.202 17.704 1.00 0.51 H new ATOM 0 H4' DT B 6 6.820 -5.611 17.447 1.00 0.37 H new ATOM 0 H3' DT B 6 8.854 -7.745 17.052 1.00 0.34 H new ATOM 0 H2' DT B 6 7.813 -8.567 15.131 1.00 0.30 H new ATOM 0 H2'' DT B 6 6.615 -9.152 16.268 1.00 0.30 H new ATOM 0 H1' DT B 6 5.129 -7.319 15.841 1.00 0.31 H new ATOM 0 H3 DT B 6 3.110 -8.196 12.042 1.00 0.30 H new ATOM 0 H71 DT B 6 8.312 -7.397 10.951 1.00 0.47 H new ATOM 0 H72 DT B 6 7.863 -9.079 10.584 1.00 0.47 H new ATOM 0 H73 DT B 6 7.126 -7.742 9.670 1.00 0.47 H new ATOM 0 H6 DT B 6 7.719 -7.552 13.221 1.00 0.32 H new ATOM 442 P DG B 7 7.500 -9.261 18.977 1.00 0.57 P ATOM 443 OP1 DG B 7 7.654 -9.041 20.432 1.00 0.81 O ATOM 444 OP2 DG B 7 8.539 -10.005 18.224 1.00 0.63 O ATOM 445 O5' DG B 7 6.090 -9.988 18.698 1.00 0.46 O ATOM 446 C5' DG B 7 4.886 -9.637 19.394 1.00 0.45 C ATOM 447 C4' DG B 7 3.693 -10.378 18.825 1.00 0.38 C ATOM 448 O4' DG B 7 3.475 -10.071 17.423 1.00 0.31 O ATOM 449 C3' DG B 7 3.924 -11.909 18.929 1.00 0.42 C ATOM 450 O3' DG B 7 2.739 -12.591 19.392 1.00 0.49 O ATOM 451 C2' DG B 7 4.253 -12.210 17.492 1.00 0.40 C ATOM 452 C1' DG B 7 3.279 -11.326 16.768 1.00 0.36 C ATOM 453 N9 DG B 7 3.477 -11.316 15.317 1.00 0.33 N ATOM 454 C8 DG B 7 4.620 -11.406 14.580 1.00 0.33 C ATOM 455 N7 DG B 7 4.470 -11.371 13.293 1.00 0.35 N ATOM 456 C5 DG B 7 3.086 -11.247 13.165 1.00 0.34 C ATOM 457 C6 DG B 7 2.288 -11.157 12.001 1.00 0.38 C ATOM 458 O6 DG B 7 2.639 -11.160 10.828 1.00 0.42 O ATOM 459 N1 DG B 7 0.943 -11.045 12.302 1.00 0.37 N ATOM 460 C2 DG B 7 0.416 -11.017 13.567 1.00 0.37 C ATOM 461 N2 DG B 7 -0.899 -10.899 13.687 1.00 0.40 N ATOM 462 N3 DG B 7 1.153 -11.099 14.671 1.00 0.35 N ATOM 463 C4 DG B 7 2.476 -11.212 14.394 1.00 0.34 C ATOM 0 H5' DG B 7 4.720 -8.562 19.321 1.00 0.45 H new ATOM 0 H5'' DG B 7 4.993 -9.871 20.453 1.00 0.45 H new ATOM 0 H4' DG B 7 2.825 -10.062 19.403 1.00 0.38 H new ATOM 0 H3' DG B 7 4.686 -12.228 19.640 1.00 0.42 H new ATOM 0 H2' DG B 7 5.287 -11.966 17.249 1.00 0.40 H new ATOM 0 H2'' DG B 7 4.109 -13.263 17.250 1.00 0.40 H new ATOM 0 H1' DG B 7 2.243 -11.659 16.825 1.00 0.36 H new ATOM 0 H8 DG B 7 5.592 -11.501 15.041 1.00 0.33 H new ATOM 0 H1 DG B 7 0.291 -10.978 11.520 1.00 0.37 H new ATOM 0 H21 DG B 7 -1.326 -10.875 14.613 1.00 0.40 H new ATOM 0 H22 DG B 7 -1.483 -10.832 12.854 1.00 0.40 H new ATOM 475 P DT B 8 2.605 -14.214 19.437 1.00 0.50 P ATOM 476 OP1 DT B 8 3.590 -14.724 20.420 1.00 0.61 O ATOM 477 OP2 DT B 8 2.629 -14.727 18.049 1.00 0.57 O ATOM 478 O5' DT B 8 1.133 -14.515 20.051 1.00 0.57 O ATOM 479 C5' DT B 8 -0.069 -13.805 19.711 1.00 0.46 C ATOM 480 C4' DT B 8 -0.699 -14.126 18.353 1.00 0.41 C ATOM 481 O4' DT B 8 -0.019 -13.723 17.148 1.00 0.46 O ATOM 482 C3' DT B 8 -1.103 -15.580 18.195 1.00 0.48 C ATOM 483 O3' DT B 8 -2.518 -15.726 18.299 1.00 0.72 O ATOM 484 C2' DT B 8 -0.629 -15.916 16.787 1.00 0.40 C ATOM 485 C1' DT B 8 -0.508 -14.573 16.087 1.00 0.47 C ATOM 486 N1 DT B 8 0.490 -14.630 15.006 1.00 0.44 N ATOM 487 C2 DT B 8 0.052 -14.515 13.702 1.00 0.49 C ATOM 488 O2 DT B 8 -1.127 -14.387 13.389 1.00 0.55 O ATOM 489 N3 DT B 8 1.023 -14.562 12.739 1.00 0.48 N ATOM 490 C4 DT B 8 2.369 -14.709 12.944 1.00 0.40 C ATOM 491 O4 DT B 8 3.114 -14.710 11.968 1.00 0.42 O ATOM 492 C5 DT B 8 2.750 -14.830 14.336 1.00 0.36 C ATOM 493 C7 DT B 8 4.217 -15.030 14.721 1.00 0.33 C ATOM 494 C6 DT B 8 1.812 -14.782 15.300 1.00 0.38 C ATOM 0 H5' DT B 8 0.147 -12.737 19.741 1.00 0.46 H new ATOM 0 H5'' DT B 8 -0.811 -14.002 20.485 1.00 0.46 H new ATOM 0 H4' DT B 8 -1.565 -13.468 18.428 1.00 0.41 H new ATOM 0 H3' DT B 8 -0.679 -16.230 18.960 1.00 0.48 H new ATOM 0 H2' DT B 8 0.327 -16.440 16.806 1.00 0.40 H new ATOM 0 H2'' DT B 8 -1.339 -16.566 16.275 1.00 0.40 H new ATOM 0 HO3' DT B 8 -2.758 -16.670 18.193 1.00 0.72 H new ATOM 0 H1' DT B 8 -1.439 -14.241 15.629 1.00 0.47 H new ATOM 0 H3 DT B 8 0.713 -14.479 11.771 1.00 0.48 H new ATOM 0 H71 DT B 8 4.400 -14.586 15.700 1.00 0.33 H new ATOM 0 H72 DT B 8 4.441 -16.096 14.758 1.00 0.33 H new ATOM 0 H73 DT B 8 4.856 -14.550 13.980 1.00 0.33 H new ATOM 0 H6 DT B 8 2.115 -14.866 16.333 1.00 0.38 H new TER 508 DT B 8 HETATM 509 N DSN C 1 2.878 -4.274 13.562 1.00 0.27 N HETATM 510 CA DSN C 1 3.595 -4.150 14.891 1.00 0.29 C HETATM 511 C DSN C 1 3.901 -2.728 15.456 1.00 0.27 C HETATM 512 O DSN C 1 4.049 -2.578 16.669 1.00 0.42 O HETATM 513 CB DSN C 1 2.644 -4.859 15.894 1.00 0.27 C HETATM 514 OG DSN C 1 1.461 -4.084 15.683 1.00 0.38 O HETATM 0 HB3 DSN C 1 2.501 -5.914 15.662 1.00 0.27 H new HETATM 0 HB2 DSN C 1 3.003 -4.805 16.922 1.00 0.27 H new HETATM 0 HA DSN C 1 4.591 -4.568 14.745 1.00 0.29 H new ATOM 519 N ALA C 2 4.002 -1.712 14.636 1.00 0.25 N ATOM 520 CA ALA C 2 4.304 -0.333 15.187 1.00 0.28 C ATOM 521 C ALA C 2 3.012 0.433 15.581 1.00 0.22 C ATOM 522 O ALA C 2 1.937 0.066 15.101 1.00 0.25 O ATOM 523 CB ALA C 2 5.079 0.419 14.112 1.00 0.39 C ATOM 0 H ALA C 2 3.892 -1.764 13.623 1.00 0.25 H new ATOM 0 HA ALA C 2 4.890 -0.419 16.102 1.00 0.28 H new ATOM 0 HB1 ALA C 2 5.318 1.421 14.469 1.00 0.39 H new ATOM 0 HB2 ALA C 2 6.002 -0.116 13.888 1.00 0.39 H new ATOM 0 HB3 ALA C 2 4.473 0.490 13.209 1.00 0.39 H new HETATM 529 N NYB C 3 3.121 1.471 16.401 1.00 0.25 N HETATM 530 CA NYB C 3 1.865 2.187 16.864 1.00 0.24 C HETATM 531 CB NYB C 3 1.599 1.843 18.425 1.00 0.31 C HETATM 532 SG NYB C 3 2.608 2.713 19.656 1.00 0.32 S HETATM 533 CD NYB C 3 2.364 1.689 21.130 1.00 0.19 C HETATM 534 CE1 NYB C 3 2.433 2.489 22.418 1.00 0.19 C HETATM 535 CE2 NYB C 3 3.343 0.544 21.343 1.00 0.31 C HETATM 536 CF NYB C 3 3.240 -0.506 20.248 1.00 0.37 C HETATM 537 CN NYB C 3 4.457 1.944 16.948 1.00 0.36 C HETATM 538 C NYB C 3 1.955 3.732 16.708 1.00 0.24 C HETATM 539 O NYB C 3 2.385 4.413 17.638 1.00 0.50 O HETATM 0 HE22 NYB C 3 4.359 0.937 21.374 1.00 0.31 H new HETATM 0 HE21 NYB C 3 3.152 0.079 22.310 1.00 0.31 H new HETATM 0 HE13 NYB C 3 3.411 2.963 22.500 1.00 0.19 H new HETATM 0 HE12 NYB C 3 1.658 3.255 22.412 1.00 0.19 H new HETATM 0 HE11 NYB C 3 2.280 1.824 23.268 1.00 0.19 H new HETATM 0 HN3 NYB C 3 4.612 2.988 16.677 1.00 0.36 H new HETATM 0 HN2 NYB C 3 4.461 1.846 18.034 1.00 0.36 H new HETATM 0 HN1 NYB C 3 5.258 1.337 16.526 1.00 0.36 H new HETATM 0 HF3 NYB C 3 2.232 -0.919 20.234 1.00 0.37 H new HETATM 0 HF2 NYB C 3 3.458 -0.048 19.283 1.00 0.37 H new HETATM 0 HF1 NYB C 3 3.957 -1.304 20.441 1.00 0.37 H new HETATM 0 HD NYB C 3 1.375 1.281 20.920 1.00 0.19 H new HETATM 0 HB1 NYB C 3 1.748 0.772 18.564 1.00 0.31 H new HETATM 0 HA NYB C 3 1.049 1.837 16.232 1.00 0.24 H new HETATM 554 N CPC C 4 1.567 4.297 15.576 1.00 0.17 N HETATM 555 CN CPC C 4 1.036 3.522 14.403 1.00 0.39 C HETATM 556 CA CPC C 4 1.627 5.615 15.429 1.00 0.22 C HETATM 557 CB CPC C 4 2.433 6.099 14.225 1.00 0.28 C HETATM 558 CG1 CPC C 4 2.936 6.380 15.591 1.00 0.33 C HETATM 559 CG2 CPC C 4 1.975 7.415 13.543 1.00 0.48 C HETATM 560 C CPC C 4 0.291 6.355 15.696 1.00 0.23 C HETATM 561 O CPC C 4 0.286 7.367 16.383 1.00 0.40 O HETATM 0 HG23 CPC C 4 0.954 7.300 13.180 1.00 0.48 H new HETATM 0 HG22 CPC C 4 2.014 8.231 14.264 1.00 0.48 H new HETATM 0 HG21 CPC C 4 2.635 7.639 12.705 1.00 0.48 H new HETATM 0 HG13 CPC C 4 3.830 5.884 15.970 1.00 0.33 H new HETATM 0 HG12 CPC C 4 2.944 7.396 15.985 1.00 0.33 H new HETATM 0 HCN3 CPC C 4 0.019 3.846 14.183 1.00 0.39 H new HETATM 0 HCN2 CPC C 4 1.669 3.699 13.534 1.00 0.39 H new HETATM 0 HCN1 CPC C 4 1.034 2.458 14.640 1.00 0.39 H new HETATM 0 HB CPC C 4 2.776 5.588 13.325 1.00 0.28 H new HETATM 571 N DSN C 5 -2.361 5.624 12.969 1.00 0.12 N HETATM 572 CA DSN C 5 -3.025 5.708 14.320 1.00 0.12 C HETATM 573 C DSN C 5 -3.285 4.383 15.073 1.00 0.13 C HETATM 574 O DSN C 5 -3.464 4.431 16.290 1.00 0.20 O HETATM 575 CB DSN C 5 -2.061 6.535 15.243 1.00 0.18 C HETATM 576 OG DSN C 5 -0.844 5.798 15.121 1.00 0.24 O HETATM 0 HB3 DSN C 5 -1.952 7.565 14.903 1.00 0.18 H new HETATM 0 HB2 DSN C 5 -2.414 6.575 16.273 1.00 0.18 H new HETATM 0 HA DSN C 5 -4.008 6.136 14.122 1.00 0.12 H new ATOM 581 N ALA C 6 -3.312 3.244 14.427 1.00 0.14 N ATOM 582 CA ALA C 6 -3.568 1.984 15.225 1.00 0.17 C ATOM 583 C ALA C 6 -2.225 1.336 15.681 1.00 0.19 C ATOM 584 O ALA C 6 -1.211 1.593 15.027 1.00 0.33 O ATOM 585 CB ALA C 6 -4.353 1.018 14.344 1.00 0.24 C ATOM 0 H ALA C 6 -3.175 3.122 13.424 1.00 0.14 H new ATOM 0 HA ALA C 6 -4.138 2.223 16.123 1.00 0.17 H new ATOM 0 HB1 ALA C 6 -4.551 0.100 14.897 1.00 0.24 H new ATOM 0 HB2 ALA C 6 -5.298 1.477 14.053 1.00 0.24 H new ATOM 0 HB3 ALA C 6 -3.772 0.786 13.451 1.00 0.24 H new HETATM 591 N NCY C 7 -2.231 0.525 16.739 1.00 0.27 N HETATM 592 CA NCY C 7 -0.951 -0.110 17.234 1.00 0.34 C HETATM 593 CB NCY C 7 -0.626 0.397 18.693 1.00 0.46 C HETATM 594 SG NCY C 7 -0.119 2.117 18.933 1.00 0.33 S HETATM 595 CN NCY C 7 -3.482 0.187 17.527 1.00 0.42 C HETATM 596 C NCY C 7 -1.077 -1.654 17.271 1.00 0.28 C HETATM 597 O NCY C 7 -1.365 -2.197 18.344 1.00 0.37 O HETATM 0 HCN3 NCY C 7 -3.647 -0.890 17.503 1.00 0.42 H new HETATM 0 HCN2 NCY C 7 -3.360 0.512 18.560 1.00 0.42 H new HETATM 0 HCN1 NCY C 7 -4.339 0.695 17.085 1.00 0.42 H new HETATM 0 HB3 NCY C 7 -1.512 0.227 19.305 1.00 0.46 H new HETATM 0 HB2 NCY C 7 0.165 -0.238 19.093 1.00 0.46 H new HETATM 0 HA NCY C 7 -0.153 0.172 16.547 1.00 0.34 H new HETATM 604 N CPC C 8 -0.876 -2.349 16.163 1.00 0.33 N HETATM 605 CN CPC C 8 -0.522 -1.743 14.821 1.00 0.46 C HETATM 606 CA CPC C 8 -0.977 -3.662 16.218 1.00 0.46 C HETATM 607 CB CPC C 8 -1.943 -4.275 15.236 1.00 0.55 C HETATM 608 CG1 CPC C 8 -2.282 -4.320 16.670 1.00 0.51 C HETATM 609 CG2 CPC C 8 -1.546 -5.645 14.704 1.00 0.79 C HETATM 610 C CPC C 8 0.373 -4.382 16.488 1.00 0.62 C HETATM 611 O CPC C 8 0.431 -5.185 17.406 1.00 0.99 O HETATM 0 HG23 CPC C 8 -0.587 -5.572 14.191 1.00 0.79 H new HETATM 0 HG22 CPC C 8 -1.461 -6.347 15.534 1.00 0.79 H new HETATM 0 HG21 CPC C 8 -2.305 -5.998 14.006 1.00 0.79 H new HETATM 0 HG13 CPC C 8 -3.101 -3.724 17.072 1.00 0.51 H new HETATM 0 HG12 CPC C 8 -2.275 -5.262 17.219 1.00 0.51 H new HETATM 0 HCN3 CPC C 8 0.445 -2.125 14.493 1.00 0.46 H new HETATM 0 HCN2 CPC C 8 -1.285 -2.009 14.089 1.00 0.46 H new HETATM 0 HCN1 CPC C 8 -0.471 -0.658 14.914 1.00 0.46 H new HETATM 0 HB CPC C 8 -2.420 -3.902 14.330 1.00 0.55 H new TER 621 CPC C 8 HETATM 622 N1 HQU C 0 1.496 -4.445 11.378 1.00 0.28 N HETATM 623 C2 HQU C 0 2.786 -4.803 11.311 1.00 0.28 C HETATM 624 C3 HQU C 0 3.296 -5.253 10.084 1.00 0.31 C HETATM 625 C4 HQU C 0 2.498 -5.329 8.975 1.00 0.34 C HETATM 626 C5 HQU C 0 0.252 -4.988 8.017 1.00 0.40 C HETATM 627 C6 HQU C 0 -1.075 -4.587 8.218 1.00 0.40 C HETATM 628 C7 HQU C 0 -1.508 -4.147 9.479 1.00 0.36 C HETATM 629 C8 HQU C 0 -0.608 -4.107 10.547 1.00 0.32 C HETATM 630 C9 HQU C 0 0.694 -4.508 10.319 1.00 0.32 C HETATM 631 C10 HQU C 0 1.178 -4.957 9.074 1.00 0.35 C HETATM 632 C HQU C 0 3.515 -4.706 12.498 1.00 0.25 C HETATM 633 O1 HQU C 0 4.703 -5.037 12.448 1.00 0.20 O HETATM 634 O3 HQU C 0 4.630 -5.619 9.990 1.00 0.35 O HETATM 0 HO3 HQU C 0 4.703 -6.596 10.004 1.00 0.35 H new HETATM 0 H8 HQU C 0 -0.925 -3.768 11.533 1.00 0.32 H new HETATM 0 H7 HQU C 0 -2.543 -3.838 9.624 1.00 0.36 H new HETATM 0 H6 HQU C 0 -1.779 -4.617 7.386 1.00 0.40 H new HETATM 0 H5 HQU C 0 0.570 -5.327 7.031 1.00 0.40 H new HETATM 0 H4 HQU C 0 2.903 -5.680 8.026 1.00 0.34 H new HETATM 641 N1 HQU C 9 -1.130 5.463 10.699 1.00 0.20 N HETATM 642 C2 HQU C 9 -2.406 5.872 10.668 1.00 0.18 C HETATM 643 C3 HQU C 9 -2.987 6.208 9.430 1.00 0.23 C HETATM 644 C4 HQU C 9 -2.277 6.124 8.282 1.00 0.29 C HETATM 645 C5 HQU C 9 -0.176 5.592 7.213 1.00 0.29 C HETATM 646 C6 HQU C 9 1.154 5.153 7.342 1.00 0.30 C HETATM 647 C7 HQU C 9 1.664 4.832 8.596 1.00 0.28 C HETATM 648 C8 HQU C 9 0.881 4.941 9.734 1.00 0.24 C HETATM 649 C9 HQU C 9 -0.418 5.375 9.580 1.00 0.25 C HETATM 650 C10 HQU C 9 -0.984 5.708 8.338 1.00 0.26 C HETATM 651 C HQU C 9 -3.045 5.951 11.894 1.00 0.12 C HETATM 652 O1 HQU C 9 -4.219 6.328 11.855 1.00 0.18 O HETATM 653 O3 HQU C 9 -4.302 6.623 9.344 1.00 0.26 O HETATM 0 HO3 HQU C 9 -4.522 7.175 10.123 1.00 0.26 H new HETATM 0 H8 HQU C 9 1.279 4.692 10.718 1.00 0.24 H new HETATM 0 H7 HQU C 9 2.695 4.490 8.685 1.00 0.28 H new HETATM 0 H6 HQU C 9 1.786 5.064 6.458 1.00 0.30 H new HETATM 0 H5 HQU C 9 -0.574 5.842 6.229 1.00 0.29 H new HETATM 0 H4 HQU C 9 -2.734 6.386 7.328 1.00 0.29 H new