USER MOD reduce.3.24.130724 H: found=0, std=0, add=201, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 201 hydrogens (110 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: B 10 CPNH1'3 : B 10 CPN N1' : B 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 10 CPNH1'2 : B 10 CPN N1' : B 10 CPN C2' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'2 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 11 TPNH1'1 : B 11 TPN N1' : B 10 CPN C' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'3 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 12 APNH1'1 : B 12 APN N1' : B 12 APN C2' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'2 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 13 TPNH1'1 : B 13 TPN N1' : B 12 APN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'3 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 14 GPNH1'2 : B 14 GPN N1' : B 13 TPN C' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'3 : B 15 TPN N1' : B 15 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 15 TPNH1'2 : B 15 TPN N1' : B 15 TPN C2' :...(NH2R) USER MOD NoAdj-H: B 16 CPNH1'3 : B 16 CPN N1' : B 16 CPN C2' :...(NH2R) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= -0.406 (180deg=-0.406) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -166:sc= -0.0602 (180deg=-0.394) USER MOD Single : B 10 CPN N1' :NH3+ 180:sc= -0.179 (180deg=-0.179) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.0126 (180deg=-0.0126) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.39 (180deg=-1.39) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.0566 (180deg=-0.0566) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -0.799 (180deg=-0.799) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 CPN N1' :NH3+ -94:sc= 0.202 (180deg=-1.77) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -13.298 -10.929 -3.023 1.00 1.10 O ATOM 2 C5' DG A 1 -12.125 -11.668 -3.378 1.00 0.99 C ATOM 3 C4' DG A 1 -11.211 -11.881 -2.173 1.00 0.70 C ATOM 4 O4' DG A 1 -10.037 -12.645 -2.546 1.00 0.71 O ATOM 5 C3' DG A 1 -10.742 -10.544 -1.602 1.00 0.62 C ATOM 6 O3' DG A 1 -11.056 -10.450 -0.205 1.00 0.51 O ATOM 7 C2' DG A 1 -9.249 -10.518 -1.840 1.00 0.56 C ATOM 8 C1' DG A 1 -8.846 -11.950 -2.125 1.00 0.55 C ATOM 9 N9 DG A 1 -7.793 -12.013 -3.156 1.00 0.68 N ATOM 10 C8 DG A 1 -7.894 -11.843 -4.508 1.00 0.91 C ATOM 11 N7 DG A 1 -6.765 -11.857 -5.152 1.00 0.96 N ATOM 12 C5 DG A 1 -5.827 -12.066 -4.143 1.00 0.75 C ATOM 13 C6 DG A 1 -4.414 -12.180 -4.220 1.00 0.72 C ATOM 14 O6 DG A 1 -3.692 -12.095 -5.211 1.00 0.86 O ATOM 15 N1 DG A 1 -3.851 -12.386 -2.970 1.00 0.53 N ATOM 16 C2 DG A 1 -4.556 -12.472 -1.790 1.00 0.42 C ATOM 17 N2 DG A 1 -3.840 -12.616 -0.681 1.00 0.44 N ATOM 18 N3 DG A 1 -5.882 -12.370 -1.711 1.00 0.42 N ATOM 19 C4 DG A 1 -6.451 -12.166 -2.920 1.00 0.58 C ATOM 0 H5' DG A 1 -11.581 -11.136 -4.159 1.00 0.99 H new ATOM 0 H5'' DG A 1 -12.414 -12.634 -3.792 1.00 0.99 H new ATOM 0 H4' DG A 1 -11.788 -12.424 -1.424 1.00 0.70 H new ATOM 0 H3' DG A 1 -11.236 -9.696 -2.076 1.00 0.62 H new ATOM 0 H2' DG A 1 -8.999 -9.868 -2.679 1.00 0.56 H new ATOM 0 H2'' DG A 1 -8.722 -10.131 -0.968 1.00 0.56 H new ATOM 0 HO5' DG A 1 -13.861 -10.808 -3.816 1.00 1.10 H new ATOM 0 H1' DG A 1 -8.426 -12.417 -1.234 1.00 0.55 H new ATOM 0 H8 DG A 1 -8.843 -11.707 -5.005 1.00 0.91 H new ATOM 0 H1 DG A 1 -2.837 -12.481 -2.920 1.00 0.53 H new ATOM 0 H21 DG A 1 -4.308 -12.685 0.223 1.00 0.44 H new ATOM 0 H22 DG A 1 -2.822 -12.657 -0.733 1.00 0.44 H new ATOM 32 P DA A 2 -10.433 -9.278 0.713 1.00 0.62 P ATOM 33 OP1 DA A 2 -11.131 -9.291 2.018 1.00 0.74 O ATOM 34 OP2 DA A 2 -10.388 -8.034 -0.087 1.00 0.85 O ATOM 35 O5' DA A 2 -8.920 -9.784 0.943 1.00 0.51 O ATOM 36 C5' DA A 2 -8.623 -10.787 1.924 1.00 0.44 C ATOM 37 C4' DA A 2 -7.184 -10.677 2.428 1.00 0.44 C ATOM 38 O4' DA A 2 -6.241 -11.019 1.392 1.00 0.36 O ATOM 39 C3' DA A 2 -6.881 -9.254 2.885 1.00 0.58 C ATOM 40 O3' DA A 2 -6.652 -9.203 4.300 1.00 0.77 O ATOM 41 C2' DA A 2 -5.653 -8.832 2.117 1.00 0.53 C ATOM 42 C1' DA A 2 -5.169 -10.058 1.378 1.00 0.37 C ATOM 43 N9 DA A 2 -4.769 -9.730 0.000 1.00 0.31 N ATOM 44 C8 DA A 2 -5.551 -9.488 -1.093 1.00 0.38 C ATOM 45 N7 DA A 2 -4.900 -9.307 -2.204 1.00 0.43 N ATOM 46 C5 DA A 2 -3.569 -9.438 -1.812 1.00 0.31 C ATOM 47 C6 DA A 2 -2.362 -9.361 -2.512 1.00 0.32 C ATOM 48 N6 DA A 2 -2.292 -9.180 -3.829 1.00 0.44 N ATOM 49 N1 DA A 2 -1.230 -9.534 -1.811 1.00 0.29 N ATOM 50 C2 DA A 2 -1.277 -9.776 -0.501 1.00 0.33 C ATOM 51 N3 DA A 2 -2.363 -9.872 0.254 1.00 0.34 N ATOM 52 C4 DA A 2 -3.483 -9.691 -0.473 1.00 0.27 C ATOM 0 H5' DA A 2 -8.783 -11.776 1.494 1.00 0.44 H new ATOM 0 H5'' DA A 2 -9.311 -10.690 2.764 1.00 0.44 H new ATOM 0 H4' DA A 2 -7.085 -11.372 3.262 1.00 0.44 H new ATOM 0 H3' DA A 2 -7.720 -8.585 2.693 1.00 0.58 H new ATOM 0 H2' DA A 2 -5.888 -8.027 1.421 1.00 0.53 H new ATOM 0 H2'' DA A 2 -4.883 -8.456 2.791 1.00 0.53 H new ATOM 0 H1' DA A 2 -4.284 -10.467 1.866 1.00 0.37 H new ATOM 0 H8 DA A 2 -6.629 -9.450 -1.039 1.00 0.38 H new ATOM 0 H61 DA A 2 -1.383 -9.131 -4.289 1.00 0.44 H new ATOM 0 H62 DA A 2 -3.147 -9.090 -4.378 1.00 0.44 H new ATOM 0 H2 DA A 2 -0.329 -9.908 -0.001 1.00 0.33 H new ATOM 64 P DC A 3 -6.233 -7.822 5.019 1.00 0.95 P ATOM 65 OP1 DC A 3 -6.348 -8.011 6.484 1.00 1.20 O ATOM 66 OP2 DC A 3 -6.960 -6.714 4.360 1.00 1.03 O ATOM 67 O5' DC A 3 -4.669 -7.691 4.644 1.00 0.81 O ATOM 68 C5' DC A 3 -3.677 -8.425 5.375 1.00 0.79 C ATOM 69 C4' DC A 3 -2.263 -7.934 5.070 1.00 0.67 C ATOM 70 O4' DC A 3 -1.895 -8.218 3.703 1.00 0.56 O ATOM 71 C3' DC A 3 -2.148 -6.429 5.285 1.00 0.67 C ATOM 72 O3' DC A 3 -1.327 -6.133 6.423 1.00 0.72 O ATOM 73 C2' DC A 3 -1.539 -5.885 4.016 1.00 0.59 C ATOM 74 C1' DC A 3 -1.220 -7.082 3.137 1.00 0.52 C ATOM 75 N1 DC A 3 -1.639 -6.869 1.736 1.00 0.48 N ATOM 76 C2 DC A 3 -0.639 -6.796 0.780 1.00 0.43 C ATOM 77 O2 DC A 3 0.538 -6.909 1.106 1.00 0.47 O ATOM 78 N3 DC A 3 -0.991 -6.555 -0.508 1.00 0.38 N ATOM 79 C4 DC A 3 -2.269 -6.377 -0.849 1.00 0.39 C ATOM 80 N4 DC A 3 -2.574 -6.212 -2.135 1.00 0.41 N ATOM 81 C5 DC A 3 -3.308 -6.431 0.134 1.00 0.44 C ATOM 82 C6 DC A 3 -2.952 -6.696 1.406 1.00 0.48 C ATOM 0 H5' DC A 3 -3.754 -9.484 5.128 1.00 0.79 H new ATOM 0 H5'' DC A 3 -3.871 -8.332 6.444 1.00 0.79 H new ATOM 0 H4' DC A 3 -1.594 -8.461 5.751 1.00 0.67 H new ATOM 0 H3' DC A 3 -3.118 -5.976 5.488 1.00 0.67 H new ATOM 0 H2' DC A 3 -2.231 -5.209 3.513 1.00 0.59 H new ATOM 0 H2'' DC A 3 -0.637 -5.313 4.234 1.00 0.59 H new ATOM 0 H1' DC A 3 -0.142 -7.241 3.110 1.00 0.52 H new ATOM 0 H41 DC A 3 -3.545 -6.075 -2.415 1.00 0.41 H new ATOM 0 H42 DC A 3 -1.836 -6.223 -2.839 1.00 0.41 H new ATOM 0 H5 DC A 3 -4.341 -6.265 -0.135 1.00 0.44 H new ATOM 0 H6 DC A 3 -3.711 -6.772 2.170 1.00 0.48 H new ATOM 94 P DA A 4 -0.857 -4.622 6.735 1.00 0.74 P ATOM 95 OP1 DA A 4 -0.183 -4.608 8.052 1.00 0.82 O ATOM 96 OP2 DA A 4 -2.001 -3.717 6.482 1.00 0.81 O ATOM 97 O5' DA A 4 0.255 -4.359 5.596 1.00 0.64 O ATOM 98 C5' DA A 4 1.597 -4.837 5.756 1.00 0.58 C ATOM 99 C4' DA A 4 2.562 -4.163 4.783 1.00 0.50 C ATOM 100 O4' DA A 4 2.279 -4.546 3.415 1.00 0.48 O ATOM 101 C3' DA A 4 2.458 -2.642 4.879 1.00 0.49 C ATOM 102 O3' DA A 4 3.697 -2.067 5.319 1.00 0.50 O ATOM 103 C2' DA A 4 2.095 -2.185 3.487 1.00 0.46 C ATOM 104 C1' DA A 4 2.305 -3.375 2.578 1.00 0.45 C ATOM 105 N9 DA A 4 1.256 -3.409 1.550 1.00 0.46 N ATOM 106 C8 DA A 4 -0.086 -3.530 1.711 1.00 0.50 C ATOM 107 N7 DA A 4 -0.788 -3.435 0.621 1.00 0.50 N ATOM 108 C5 DA A 4 0.182 -3.202 -0.351 1.00 0.44 C ATOM 109 C6 DA A 4 0.113 -2.987 -1.731 1.00 0.44 C ATOM 110 N6 DA A 4 -1.031 -2.935 -2.411 1.00 0.49 N ATOM 111 N1 DA A 4 1.271 -2.787 -2.381 1.00 0.41 N ATOM 112 C2 DA A 4 2.427 -2.796 -1.717 1.00 0.40 C ATOM 113 N3 DA A 4 2.602 -2.990 -0.418 1.00 0.41 N ATOM 114 C4 DA A 4 1.429 -3.188 0.209 1.00 0.42 C ATOM 0 H5' DA A 4 1.619 -5.916 5.600 1.00 0.58 H new ATOM 0 H5'' DA A 4 1.927 -4.656 6.779 1.00 0.58 H new ATOM 0 H4' DA A 4 3.566 -4.488 5.057 1.00 0.50 H new ATOM 0 H3' DA A 4 1.713 -2.327 5.610 1.00 0.49 H new ATOM 0 H2' DA A 4 1.060 -1.844 3.448 1.00 0.46 H new ATOM 0 H2'' DA A 4 2.719 -1.346 3.179 1.00 0.46 H new ATOM 0 H1' DA A 4 3.257 -3.321 2.050 1.00 0.45 H new ATOM 0 H8 DA A 4 -0.539 -3.694 2.677 1.00 0.50 H new ATOM 0 H61 DA A 4 -1.019 -2.775 -3.418 1.00 0.49 H new ATOM 0 H62 DA A 4 -1.919 -3.055 -1.924 1.00 0.49 H new ATOM 0 H2 DA A 4 3.319 -2.627 -2.302 1.00 0.40 H new ATOM 126 P DT A 5 3.984 -0.485 5.173 1.00 0.53 P ATOM 127 OP1 DT A 5 5.154 -0.144 6.013 1.00 0.61 O ATOM 128 OP2 DT A 5 2.706 0.240 5.358 1.00 0.60 O ATOM 129 O5' DT A 5 4.416 -0.357 3.623 1.00 0.45 O ATOM 130 C5' DT A 5 5.485 -1.156 3.103 1.00 0.39 C ATOM 131 C4' DT A 5 6.006 -0.625 1.769 1.00 0.36 C ATOM 132 O4' DT A 5 5.101 -0.943 0.688 1.00 0.37 O ATOM 133 C3' DT A 5 6.180 0.892 1.806 1.00 0.38 C ATOM 134 O3' DT A 5 7.556 1.249 1.579 1.00 0.41 O ATOM 135 C2' DT A 5 5.289 1.405 0.704 1.00 0.37 C ATOM 136 C1' DT A 5 4.987 0.204 -0.165 1.00 0.35 C ATOM 137 N1 DT A 5 3.657 0.299 -0.784 1.00 0.37 N ATOM 138 C2 DT A 5 3.608 0.622 -2.127 1.00 0.39 C ATOM 139 O2 DT A 5 4.618 0.868 -2.780 1.00 0.46 O ATOM 140 N3 DT A 5 2.354 0.704 -2.685 1.00 0.40 N ATOM 141 C4 DT A 5 1.158 0.496 -2.031 1.00 0.42 C ATOM 142 O4 DT A 5 0.095 0.565 -2.643 1.00 0.49 O ATOM 143 C5 DT A 5 1.307 0.177 -0.625 1.00 0.42 C ATOM 144 C7 DT A 5 0.073 0.020 0.250 1.00 0.50 C ATOM 145 C6 DT A 5 2.522 0.083 -0.057 1.00 0.38 C ATOM 0 H5' DT A 5 5.140 -2.182 2.974 1.00 0.39 H new ATOM 0 H5'' DT A 5 6.301 -1.183 3.825 1.00 0.39 H new ATOM 0 H4' DT A 5 6.970 -1.106 1.600 1.00 0.36 H new ATOM 0 H3' DT A 5 5.915 1.320 2.772 1.00 0.38 H new ATOM 0 H2' DT A 5 4.374 1.837 1.109 1.00 0.37 H new ATOM 0 H2'' DT A 5 5.785 2.189 0.131 1.00 0.37 H new ATOM 0 H1' DT A 5 5.685 0.139 -1.000 1.00 0.35 H new ATOM 0 H3 DT A 5 2.304 0.941 -3.676 1.00 0.40 H new ATOM 0 H71 DT A 5 0.282 -0.692 1.049 1.00 0.50 H new ATOM 0 H72 DT A 5 -0.191 0.985 0.683 1.00 0.50 H new ATOM 0 H73 DT A 5 -0.757 -0.346 -0.354 1.00 0.50 H new ATOM 0 H6 DT A 5 2.601 -0.167 0.991 1.00 0.38 H new ATOM 158 P DA A 6 8.038 2.790 1.504 1.00 0.45 P ATOM 159 OP1 DA A 6 9.009 3.022 2.597 1.00 0.55 O ATOM 160 OP2 DA A 6 6.840 3.654 1.395 1.00 0.48 O ATOM 161 O5' DA A 6 8.840 2.849 0.100 1.00 0.45 O ATOM 162 C5' DA A 6 8.164 2.671 -1.156 1.00 0.44 C ATOM 163 C4' DA A 6 7.996 3.989 -1.912 1.00 0.45 C ATOM 164 O4' DA A 6 7.043 3.839 -2.989 1.00 0.42 O ATOM 165 C3' DA A 6 7.492 5.098 -0.997 1.00 0.49 C ATOM 166 O3' DA A 6 8.550 6.004 -0.658 1.00 0.58 O ATOM 167 C2' DA A 6 6.388 5.786 -1.761 1.00 0.47 C ATOM 168 C1' DA A 6 6.142 4.966 -3.014 1.00 0.41 C ATOM 169 N9 DA A 6 4.734 4.525 -3.073 1.00 0.39 N ATOM 170 C8 DA A 6 4.033 3.769 -2.177 1.00 0.44 C ATOM 171 N7 DA A 6 2.758 3.679 -2.409 1.00 0.44 N ATOM 172 C5 DA A 6 2.597 4.429 -3.571 1.00 0.38 C ATOM 173 C6 DA A 6 1.479 4.737 -4.354 1.00 0.38 C ATOM 174 N6 DA A 6 0.248 4.325 -4.064 1.00 0.44 N ATOM 175 N1 DA A 6 1.676 5.500 -5.440 1.00 0.36 N ATOM 176 C2 DA A 6 2.895 5.940 -5.742 1.00 0.35 C ATOM 177 N3 DA A 6 4.019 5.713 -5.071 1.00 0.35 N ATOM 178 C4 DA A 6 3.794 4.942 -3.986 1.00 0.36 C ATOM 0 H5' DA A 6 7.184 2.228 -0.980 1.00 0.44 H new ATOM 0 H5'' DA A 6 8.725 1.969 -1.773 1.00 0.44 H new ATOM 0 H4' DA A 6 8.978 4.255 -2.303 1.00 0.45 H new ATOM 0 H3' DA A 6 7.125 4.706 -0.049 1.00 0.49 H new ATOM 0 H2' DA A 6 5.483 5.850 -1.157 1.00 0.47 H new ATOM 0 H2'' DA A 6 6.673 6.806 -2.017 1.00 0.47 H new ATOM 0 H1' DA A 6 6.328 5.565 -3.906 1.00 0.41 H new ATOM 0 H8 DA A 6 4.505 3.281 -1.337 1.00 0.44 H new ATOM 0 H61 DA A 6 -0.531 4.580 -4.671 1.00 0.44 H new ATOM 0 H62 DA A 6 0.083 3.754 -3.235 1.00 0.44 H new ATOM 0 H2 DA A 6 2.980 6.549 -6.630 1.00 0.35 H new ATOM 190 P DG A 7 8.240 7.446 -0.007 1.00 0.64 P ATOM 191 OP1 DG A 7 9.520 8.037 0.446 1.00 0.78 O ATOM 192 OP2 DG A 7 7.119 7.297 0.949 1.00 0.73 O ATOM 193 O5' DG A 7 7.713 8.291 -1.276 1.00 0.54 O ATOM 194 C5' DG A 7 8.605 8.629 -2.345 1.00 0.51 C ATOM 195 C4' DG A 7 7.907 9.426 -3.447 1.00 0.41 C ATOM 196 O4' DG A 7 6.906 8.634 -4.121 1.00 0.38 O ATOM 197 C3' DG A 7 7.202 10.649 -2.876 1.00 0.46 C ATOM 198 O3' DG A 7 7.996 11.842 -3.005 1.00 0.54 O ATOM 199 C2' DG A 7 5.917 10.759 -3.656 1.00 0.41 C ATOM 200 C1' DG A 7 5.768 9.468 -4.432 1.00 0.33 C ATOM 201 N9 DG A 7 4.507 8.834 -4.045 1.00 0.33 N ATOM 202 C8 DG A 7 4.177 8.263 -2.854 1.00 0.40 C ATOM 203 N7 DG A 7 2.916 7.980 -2.708 1.00 0.43 N ATOM 204 C5 DG A 7 2.354 8.420 -3.907 1.00 0.34 C ATOM 205 C6 DG A 7 1.003 8.400 -4.348 1.00 0.37 C ATOM 206 O6 DG A 7 0.008 7.987 -3.756 1.00 0.46 O ATOM 207 N1 DG A 7 0.874 8.951 -5.614 1.00 0.36 N ATOM 208 C2 DG A 7 1.914 9.447 -6.370 1.00 0.37 C ATOM 209 N2 DG A 7 1.596 9.976 -7.543 1.00 0.46 N ATOM 210 N3 DG A 7 3.179 9.459 -5.965 1.00 0.34 N ATOM 211 C4 DG A 7 3.325 8.937 -4.730 1.00 0.30 C ATOM 0 H5' DG A 7 9.024 7.716 -2.769 1.00 0.51 H new ATOM 0 H5'' DG A 7 9.439 9.210 -1.951 1.00 0.51 H new ATOM 0 H4' DG A 7 8.687 9.723 -4.148 1.00 0.41 H new ATOM 0 H3' DG A 7 7.025 10.541 -1.806 1.00 0.46 H new ATOM 0 H2' DG A 7 5.070 10.908 -2.987 1.00 0.41 H new ATOM 0 H2'' DG A 7 5.946 11.615 -4.330 1.00 0.41 H new ATOM 0 H1' DG A 7 5.741 9.639 -5.508 1.00 0.33 H new ATOM 0 H8 DG A 7 4.909 8.060 -2.086 1.00 0.40 H new ATOM 0 H1 DG A 7 -0.062 8.992 -6.016 1.00 0.36 H new ATOM 0 H21 DG A 7 2.326 10.358 -8.145 1.00 0.46 H new ATOM 0 H22 DG A 7 0.622 10.001 -7.844 1.00 0.46 H new ATOM 223 P DC A 8 8.398 12.448 -4.450 1.00 0.56 P ATOM 224 OP1 DC A 8 9.037 11.376 -5.244 1.00 0.60 O ATOM 225 OP2 DC A 8 9.116 13.723 -4.228 1.00 0.74 O ATOM 226 O5' DC A 8 6.971 12.793 -5.124 1.00 0.56 O ATOM 227 C5' DC A 8 6.890 13.123 -6.517 1.00 0.68 C ATOM 228 C4' DC A 8 5.572 13.811 -6.877 1.00 0.76 C ATOM 229 O4' DC A 8 4.448 12.935 -6.668 1.00 0.64 O ATOM 230 C3' DC A 8 5.352 15.057 -6.031 1.00 0.91 C ATOM 231 O3' DC A 8 5.693 16.245 -6.752 1.00 1.14 O ATOM 232 C2' DC A 8 3.890 15.035 -5.660 1.00 0.95 C ATOM 233 C1' DC A 8 3.355 13.674 -6.089 1.00 0.73 C ATOM 234 N1 DC A 8 2.781 12.930 -4.948 1.00 0.65 N ATOM 235 C2 DC A 8 1.501 12.411 -5.096 1.00 0.65 C ATOM 236 O2 DC A 8 0.852 12.639 -6.112 1.00 0.75 O ATOM 237 N3 DC A 8 0.964 11.718 -4.058 1.00 0.64 N ATOM 238 C4 DC A 8 1.636 11.559 -2.914 1.00 0.70 C ATOM 239 N4 DC A 8 1.104 10.817 -1.947 1.00 0.81 N ATOM 240 C5 DC A 8 2.941 12.115 -2.745 1.00 0.75 C ATOM 241 C6 DC A 8 3.481 12.775 -3.786 1.00 0.69 C ATOM 0 H5' DC A 8 6.996 12.214 -7.110 1.00 0.68 H new ATOM 0 H5'' DC A 8 7.722 13.776 -6.782 1.00 0.68 H new ATOM 0 H4' DC A 8 5.643 14.080 -7.931 1.00 0.76 H new ATOM 0 H3' DC A 8 5.989 15.060 -5.147 1.00 0.91 H new ATOM 0 H2' DC A 8 3.760 15.183 -4.588 1.00 0.95 H new ATOM 0 H2'' DC A 8 3.351 15.839 -6.161 1.00 0.95 H new ATOM 0 HO3' DC A 8 5.540 17.028 -6.183 1.00 1.14 H new ATOM 0 H1' DC A 8 2.553 13.811 -6.814 1.00 0.73 H new ATOM 0 H41 DC A 8 1.606 10.687 -1.069 1.00 0.81 H new ATOM 0 H42 DC A 8 0.194 10.378 -2.084 1.00 0.81 H new ATOM 0 H5 DC A 8 3.476 12.009 -1.813 1.00 0.75 H new ATOM 0 H6 DC A 8 4.476 13.186 -3.702 1.00 0.69 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.788 12.945 -3.794 1.00 0.98 C HETATM 256 C7' GPN B 9 -7.547 12.474 -5.036 1.00 0.96 C HETATM 257 O7' GPN B 9 -7.224 11.439 -5.588 1.00 0.89 O HETATM 258 C5' GPN B 9 -9.250 12.753 -6.763 1.00 1.05 C HETATM 259 C' GPN B 9 -8.410 12.582 -8.031 1.00 0.92 C HETATM 260 O1' GPN B 9 -8.833 11.955 -8.982 1.00 0.94 O HETATM 261 N4' GPN B 9 -8.546 13.191 -5.516 1.00 1.05 N HETATM 262 C3' GPN B 9 -8.986 14.445 -4.825 1.00 1.20 C HETATM 263 C2' GPN B 9 -9.883 14.096 -3.637 1.00 1.39 C HETATM 264 N1' GPN B 9 -10.326 12.868 -3.601 1.00 1.59 N HETATM 265 N9 GPN B 9 -5.726 12.074 -3.246 1.00 0.94 N HETATM 266 C8 GPN B 9 -5.760 11.243 -2.161 1.00 1.04 C HETATM 267 N7 GPN B 9 -4.626 10.685 -1.859 1.00 0.98 N HETATM 268 C5 GPN B 9 -3.759 11.176 -2.834 1.00 0.83 C HETATM 269 C6 GPN B 9 -2.377 10.922 -3.033 1.00 0.76 C HETATM 270 O6 GPN B 9 -1.631 10.203 -2.376 1.00 0.79 O HETATM 271 N1 GPN B 9 -1.883 11.614 -4.126 1.00 0.67 N HETATM 272 C2 GPN B 9 -2.623 12.439 -4.940 1.00 0.68 C HETATM 273 N2 GPN B 9 -1.980 12.979 -5.971 1.00 0.69 N HETATM 274 N3 GPN B 9 -3.922 12.684 -4.762 1.00 0.74 N HETATM 275 C4 GPN B 9 -4.425 12.021 -3.692 1.00 0.81 C HETATM 0 HN22 GPN B 9 -2.474 13.600 -6.612 1.00 0.69 H new HETATM 0 HN21 GPN B 9 -0.993 12.772 -6.121 1.00 0.69 H new HETATM 0 H8'2 GPN B 9 -6.339 13.911 -4.026 1.00 0.98 H new HETATM 0 H8'1 GPN B 9 -7.519 13.115 -3.003 1.00 0.98 H new HETATM 0 H5'2 GPN B 9 -10.036 13.477 -6.976 1.00 1.05 H new HETATM 0 H5'1 GPN B 9 -9.741 11.802 -6.555 1.00 1.05 H new HETATM 0 H3'2 GPN B 9 -8.117 15.007 -4.483 1.00 1.20 H new HETATM 0 H3'1 GPN B 9 -9.525 15.086 -5.523 1.00 1.20 H new HETATM 0 H2'2 GPN B 9 -9.329 14.290 -2.718 1.00 1.39 H new HETATM 0 H2'1 GPN B 9 -10.739 14.771 -3.641 1.00 1.39 H new HETATM 0 H1'3 GPN B 9 -11.084 12.799 -2.922 1.00 1.59 H new HETATM 0 H1'2 GPN B 9 -10.672 12.604 -4.523 1.00 1.59 H new HETATM 0 H1'1 GPN B 9 -9.569 12.241 -3.330 1.00 1.59 H new HETATM 0 HN1 GPN B 9 -0.893 11.503 -4.344 1.00 0.67 H new HETATM 0 H8 GPN B 9 -6.671 11.062 -1.591 1.00 1.04 H new HETATM 290 C8' CPN B 10 -3.513 11.405 -8.683 1.00 0.53 C HETATM 291 C7' CPN B 10 -3.835 11.222 -10.166 1.00 0.53 C HETATM 292 O7' CPN B 10 -2.928 11.021 -10.946 1.00 0.53 O HETATM 293 C5' CPN B 10 -5.358 11.247 -12.085 1.00 0.62 C HETATM 294 C' CPN B 10 -4.719 10.130 -12.910 1.00 0.53 C HETATM 295 O1' CPN B 10 -4.397 10.326 -14.066 1.00 0.60 O HETATM 296 N4' CPN B 10 -5.079 11.329 -10.613 1.00 0.57 N HETATM 297 C3' CPN B 10 -6.231 11.533 -9.674 1.00 0.63 C HETATM 298 C2' CPN B 10 -6.303 12.996 -9.224 1.00 0.73 C HETATM 299 N1' CPN B 10 -7.222 13.140 -8.047 1.00 0.83 N HETATM 300 N1 CPN B 10 -3.393 10.267 -7.765 1.00 0.47 N HETATM 301 C2 CPN B 10 -2.088 9.882 -7.387 1.00 0.45 C HETATM 302 N3 CPN B 10 -1.924 9.210 -6.208 1.00 0.46 N HETATM 303 C4 CPN B 10 -2.976 8.938 -5.436 1.00 0.48 C HETATM 304 C5 CPN B 10 -4.299 9.309 -5.834 1.00 0.53 C HETATM 305 C6 CPN B 10 -4.461 9.919 -7.006 1.00 0.51 C HETATM 306 O2 CPN B 10 -1.111 10.178 -8.089 1.00 0.49 O HETATM 307 N4 CPN B 10 -2.789 8.253 -4.310 1.00 0.53 N HETATM 0 HN42 CPN B 10 -3.583 8.036 -3.707 1.00 0.53 H new HETATM 0 HN41 CPN B 10 -1.852 7.945 -4.050 1.00 0.53 H new HETATM 0 H8'2 CPN B 10 -2.571 11.950 -8.631 1.00 0.53 H new HETATM 0 H8'1 CPN B 10 -4.283 12.059 -8.273 1.00 0.53 H new HETATM 0 H5'2 CPN B 10 -5.055 12.195 -12.528 1.00 0.62 H new HETATM 0 H5'1 CPN B 10 -6.438 11.168 -12.209 1.00 0.62 H new HETATM 0 H3'2 CPN B 10 -7.162 11.251 -10.165 1.00 0.63 H new HETATM 0 H3'1 CPN B 10 -6.119 10.884 -8.805 1.00 0.63 H new HETATM 0 H2'2 CPN B 10 -5.307 13.351 -8.960 1.00 0.73 H new HETATM 0 H2'1 CPN B 10 -6.656 13.618 -10.046 1.00 0.73 H new HETATM 0 H1'1 CPN B 10 -7.258 14.118 -7.761 1.00 0.83 H new HETATM 0 H6 CPN B 10 -5.467 10.142 -7.361 1.00 0.51 H new HETATM 0 H5 CPN B 10 -5.154 9.097 -5.193 1.00 0.53 H new HETATM 321 C8' TPN B 11 -1.070 7.673 -10.461 1.00 0.29 C HETATM 322 C7' TPN B 11 -1.176 6.540 -11.492 1.00 0.30 C HETATM 323 O7' TPN B 11 -0.720 5.451 -11.208 1.00 0.37 O HETATM 324 C5' TPN B 11 -1.765 5.581 -13.662 1.00 0.38 C HETATM 325 C' TPN B 11 -0.534 4.672 -13.757 1.00 0.42 C HETATM 326 O1' TPN B 11 -0.638 3.533 -14.168 1.00 0.51 O HETATM 327 N4' TPN B 11 -1.740 6.715 -12.678 1.00 0.32 N HETATM 328 C3' TPN B 11 -2.356 8.020 -13.067 1.00 0.35 C HETATM 329 C2' TPN B 11 -3.878 7.863 -13.133 1.00 0.38 C HETATM 330 N1' TPN B 11 -4.517 8.967 -12.356 1.00 0.42 N HETATM 331 N1 TPN B 11 -1.316 7.280 -9.071 1.00 0.28 N HETATM 332 C6 TPN B 11 -2.584 6.999 -8.676 1.00 0.29 C HETATM 333 C2 TPN B 11 -0.227 7.010 -8.263 1.00 0.31 C HETATM 334 O2 TPN B 11 0.919 7.331 -8.572 1.00 0.37 O HETATM 335 N3 TPN B 11 -0.506 6.395 -7.064 1.00 0.34 N HETATM 336 C4 TPN B 11 -1.759 6.052 -6.596 1.00 0.35 C HETATM 337 O4 TPN B 11 -1.881 5.462 -5.526 1.00 0.43 O HETATM 338 C5 TPN B 11 -2.838 6.406 -7.492 1.00 0.32 C HETATM 339 C5M TPN B 11 -4.276 6.066 -7.115 1.00 0.40 C HETATM 0 HM53 TPN B 11 -4.871 6.979 -7.090 1.00 0.40 H new HETATM 0 HM52 TPN B 11 -4.693 5.381 -7.853 1.00 0.40 H new HETATM 0 HM51 TPN B 11 -4.293 5.595 -6.132 1.00 0.40 H new HETATM 0 H8'2 TPN B 11 -0.074 8.110 -10.527 1.00 0.29 H new HETATM 0 H8'1 TPN B 11 -1.779 8.455 -10.731 1.00 0.29 H new HETATM 0 H5'2 TPN B 11 -1.943 6.003 -14.651 1.00 0.38 H new HETATM 0 H5'1 TPN B 11 -2.624 4.953 -13.424 1.00 0.38 H new HETATM 0 H3'2 TPN B 11 -2.090 8.791 -12.344 1.00 0.35 H new HETATM 0 H3'1 TPN B 11 -1.970 8.343 -14.034 1.00 0.35 H new HETATM 0 H2'2 TPN B 11 -4.214 7.889 -14.170 1.00 0.38 H new HETATM 0 H2'1 TPN B 11 -4.174 6.896 -12.726 1.00 0.38 H new HETATM 0 H1'3 TPN B 11 -5.531 8.869 -12.396 1.00 0.42 H new HETATM 0 HN3 TPN B 11 0.288 6.171 -6.464 1.00 0.34 H new HETATM 0 H6 TPN B 11 -3.416 7.259 -9.331 1.00 0.29 H new HETATM 354 C8' APN B 12 2.963 4.606 -9.571 1.00 0.32 C HETATM 355 C7' APN B 12 3.907 3.936 -10.572 1.00 0.34 C HETATM 356 O7' APN B 12 5.087 3.823 -10.303 1.00 0.40 O HETATM 357 C5' APN B 12 4.403 2.844 -12.693 1.00 0.40 C HETATM 358 C' APN B 12 5.142 1.583 -12.245 1.00 0.37 C HETATM 359 O1' APN B 12 6.150 1.206 -12.808 1.00 0.39 O HETATM 360 N4' APN B 12 3.456 3.481 -11.723 1.00 0.35 N HETATM 361 C3' APN B 12 2.005 3.592 -12.066 1.00 0.39 C HETATM 362 C2' APN B 12 1.848 4.281 -13.421 1.00 0.48 C HETATM 363 N1' APN B 12 0.630 5.146 -13.388 1.00 0.40 N HETATM 364 N9 APN B 12 2.007 3.769 -8.805 1.00 0.32 N HETATM 365 C8 APN B 12 0.652 3.634 -8.955 1.00 0.33 C HETATM 366 N7 APN B 12 0.053 2.992 -7.999 1.00 0.37 N HETATM 367 C5 APN B 12 1.099 2.644 -7.150 1.00 0.38 C HETATM 368 C6 APN B 12 1.141 1.935 -5.945 1.00 0.43 C HETATM 369 N6 APN B 12 0.049 1.460 -5.342 1.00 0.50 N HETATM 370 N1 APN B 12 2.343 1.769 -5.367 1.00 0.45 N HETATM 371 C2 APN B 12 3.439 2.267 -5.944 1.00 0.42 C HETATM 372 N3 APN B 12 3.508 2.950 -7.080 1.00 0.38 N HETATM 373 C4 APN B 12 2.291 3.103 -7.635 1.00 0.35 C HETATM 0 HN62 APN B 12 0.133 0.949 -4.463 1.00 0.50 H new HETATM 0 HN61 APN B 12 -0.870 1.608 -5.760 1.00 0.50 H new HETATM 0 H8'2 APN B 12 3.578 5.145 -8.850 1.00 0.32 H new HETATM 0 H8'1 APN B 12 2.383 5.351 -10.115 1.00 0.32 H new HETATM 0 H5'2 APN B 12 5.149 3.589 -12.970 1.00 0.40 H new HETATM 0 H5'1 APN B 12 3.844 2.601 -13.597 1.00 0.40 H new HETATM 0 H3'2 APN B 12 1.552 2.601 -12.096 1.00 0.39 H new HETATM 0 H3'1 APN B 12 1.482 4.159 -11.296 1.00 0.39 H new HETATM 0 H2'2 APN B 12 2.730 4.881 -13.643 1.00 0.48 H new HETATM 0 H2'1 APN B 12 1.761 3.538 -14.214 1.00 0.48 H new HETATM 0 H1'2 APN B 12 0.518 5.610 -14.289 1.00 0.40 H new HETATM 0 H8 APN B 12 0.116 4.036 -9.815 1.00 0.33 H new HETATM 0 H2 APN B 12 4.382 2.094 -5.425 1.00 0.42 H new HETATM 387 C8' TPN B 13 4.162 -0.639 -7.427 1.00 0.45 C HETATM 388 C7' TPN B 13 5.296 -1.618 -7.761 1.00 0.43 C HETATM 389 O7' TPN B 13 5.383 -2.670 -7.164 1.00 0.51 O HETATM 390 C5' TPN B 13 7.369 -2.212 -8.940 1.00 0.40 C HETATM 391 C' TPN B 13 8.050 -2.897 -7.746 1.00 0.40 C HETATM 392 O1' TPN B 13 8.977 -2.372 -7.156 1.00 0.43 O HETATM 393 N4' TPN B 13 6.206 -1.300 -8.673 1.00 0.36 N HETATM 394 C3' TPN B 13 6.091 -0.027 -9.452 1.00 0.33 C HETATM 395 C2' TPN B 13 5.276 -0.311 -10.718 1.00 0.40 C HETATM 396 N1' TPN B 13 4.645 0.945 -11.221 1.00 0.38 N HETATM 397 N1 TPN B 13 2.886 -1.121 -6.870 1.00 0.46 N HETATM 398 C6 TPN B 13 1.726 -0.887 -7.539 1.00 0.47 C HETATM 399 C2 TPN B 13 2.889 -1.684 -5.605 1.00 0.45 C HETATM 400 O2 TPN B 13 3.913 -1.804 -4.939 1.00 0.48 O HETATM 401 N3 TPN B 13 1.651 -1.984 -5.079 1.00 0.43 N HETATM 402 C4 TPN B 13 0.431 -1.770 -5.687 1.00 0.43 C HETATM 403 O4 TPN B 13 -0.613 -2.069 -5.107 1.00 0.47 O HETATM 404 C5 TPN B 13 0.529 -1.173 -7.001 1.00 0.45 C HETATM 405 C5M TPN B 13 -0.734 -0.755 -7.745 1.00 0.44 C HETATM 0 HM53 TPN B 13 -0.742 0.328 -7.869 1.00 0.44 H new HETATM 0 HM52 TPN B 13 -0.754 -1.232 -8.725 1.00 0.44 H new HETATM 0 HM51 TPN B 13 -1.611 -1.061 -7.174 1.00 0.44 H new HETATM 0 H8'2 TPN B 13 4.565 0.088 -6.722 1.00 0.45 H new HETATM 0 H8'1 TPN B 13 3.927 -0.098 -8.343 1.00 0.45 H new HETATM 0 H5'2 TPN B 13 8.128 -1.636 -9.469 1.00 0.40 H new HETATM 0 H5'1 TPN B 13 7.029 -2.992 -9.621 1.00 0.40 H new HETATM 0 H3'2 TPN B 13 5.605 0.743 -8.852 1.00 0.33 H new HETATM 0 H3'1 TPN B 13 7.080 0.349 -9.713 1.00 0.33 H new HETATM 0 H2'2 TPN B 13 5.922 -0.735 -11.487 1.00 0.40 H new HETATM 0 H2'1 TPN B 13 4.506 -1.052 -10.504 1.00 0.40 H new HETATM 0 H1'3 TPN B 13 4.106 0.742 -12.063 1.00 0.38 H new HETATM 0 HN3 TPN B 13 1.635 -2.405 -4.150 1.00 0.43 H new HETATM 0 H6 TPN B 13 1.768 -0.456 -8.539 1.00 0.47 H new HETATM 420 C8' GPN B 14 5.598 -4.221 -4.244 1.00 0.39 C HETATM 421 C7' GPN B 14 6.695 -4.940 -3.445 1.00 0.38 C HETATM 422 O7' GPN B 14 6.409 -5.631 -2.490 1.00 0.40 O HETATM 423 C5' GPN B 14 9.076 -5.342 -2.959 1.00 0.43 C HETATM 424 C' GPN B 14 8.844 -6.677 -2.250 1.00 0.42 C HETATM 425 O1' GPN B 14 8.758 -6.757 -1.039 1.00 0.52 O HETATM 426 N4' GPN B 14 7.963 -4.749 -3.778 1.00 0.39 N HETATM 427 C3' GPN B 14 8.296 -3.930 -4.987 1.00 0.40 C HETATM 428 C2' GPN B 14 8.220 -4.822 -6.237 1.00 0.38 C HETATM 429 N1' GPN B 14 7.597 -4.073 -7.380 1.00 0.38 N HETATM 430 N9 GPN B 14 4.246 -4.790 -4.398 1.00 0.37 N HETATM 431 C8 GPN B 14 3.451 -4.762 -5.505 1.00 0.38 C HETATM 432 N7 GPN B 14 2.232 -5.170 -5.324 1.00 0.36 N HETATM 433 C5 GPN B 14 2.200 -5.486 -3.967 1.00 0.33 C HETATM 434 C6 GPN B 14 1.127 -5.971 -3.172 1.00 0.34 C HETATM 435 O6 GPN B 14 -0.037 -6.186 -3.505 1.00 0.37 O HETATM 436 N1 GPN B 14 1.514 -6.155 -1.856 1.00 0.37 N HETATM 437 C2 GPN B 14 2.776 -5.911 -1.359 1.00 0.40 C HETATM 438 N2 GPN B 14 2.953 -6.133 -0.063 1.00 0.49 N HETATM 439 N3 GPN B 14 3.787 -5.457 -2.099 1.00 0.39 N HETATM 440 C4 GPN B 14 3.432 -5.265 -3.390 1.00 0.35 C HETATM 0 HN22 GPN B 14 3.866 -5.970 0.362 1.00 0.49 H new HETATM 0 HN21 GPN B 14 2.176 -6.466 0.508 1.00 0.49 H new HETATM 0 H8'2 GPN B 14 5.476 -3.236 -3.794 1.00 0.39 H new HETATM 0 H8'1 GPN B 14 5.991 -4.066 -5.249 1.00 0.39 H new HETATM 0 H5'2 GPN B 14 9.352 -4.610 -2.200 1.00 0.43 H new HETATM 0 H5'1 GPN B 14 9.939 -5.463 -3.614 1.00 0.43 H new HETATM 0 H3'2 GPN B 14 7.601 -3.095 -5.078 1.00 0.40 H new HETATM 0 H3'1 GPN B 14 9.295 -3.504 -4.889 1.00 0.40 H new HETATM 0 H2'2 GPN B 14 9.220 -5.155 -6.515 1.00 0.38 H new HETATM 0 H2'1 GPN B 14 7.636 -5.716 -6.018 1.00 0.38 H new HETATM 0 H1'1 GPN B 14 7.554 -4.678 -8.200 1.00 0.38 H new HETATM 0 HN1 GPN B 14 0.810 -6.498 -1.203 1.00 0.37 H new HETATM 0 H8 GPN B 14 3.814 -4.421 -6.475 1.00 0.38 H new HETATM 454 C8' TPN B 15 4.481 -8.853 -2.408 1.00 0.31 C HETATM 455 C7' TPN B 15 5.134 -10.184 -2.038 1.00 0.37 C HETATM 456 O7' TPN B 15 4.494 -11.214 -2.137 1.00 0.43 O HETATM 457 C5' TPN B 15 6.951 -11.503 -1.082 1.00 0.61 C HETATM 458 C' TPN B 15 6.094 -12.386 -0.154 1.00 0.70 C HETATM 459 O1' TPN B 15 6.478 -13.493 0.171 1.00 0.86 O HETATM 460 N4' TPN B 15 6.357 -10.210 -1.555 1.00 0.46 N HETATM 461 C3' TPN B 15 7.157 -8.949 -1.476 1.00 0.46 C HETATM 462 C2' TPN B 15 8.419 -9.074 -2.343 1.00 0.49 C HETATM 463 N1' TPN B 15 8.695 -7.748 -2.985 1.00 0.41 N HETATM 464 N1 TPN B 15 3.290 -8.883 -3.254 1.00 0.28 N HETATM 465 C6 TPN B 15 3.408 -8.653 -4.584 1.00 0.30 C HETATM 466 C2 TPN B 15 2.074 -9.170 -2.663 1.00 0.27 C HETATM 467 O2 TPN B 15 1.951 -9.363 -1.454 1.00 0.34 O HETATM 468 N3 TPN B 15 0.994 -9.214 -3.512 1.00 0.29 N HETATM 469 C4 TPN B 15 1.017 -8.999 -4.875 1.00 0.34 C HETATM 470 O4 TPN B 15 -0.016 -9.070 -5.532 1.00 0.45 O HETATM 471 C5 TPN B 15 2.336 -8.700 -5.399 1.00 0.34 C HETATM 472 C5M TPN B 15 2.515 -8.434 -6.892 1.00 0.47 C HETATM 0 HM53 TPN B 15 2.919 -7.432 -7.037 1.00 0.47 H new HETATM 0 HM52 TPN B 15 3.204 -9.167 -7.312 1.00 0.47 H new HETATM 0 HM51 TPN B 15 1.551 -8.513 -7.394 1.00 0.47 H new HETATM 0 H8'2 TPN B 15 4.220 -8.341 -1.482 1.00 0.31 H new HETATM 0 H8'1 TPN B 15 5.231 -8.241 -2.910 1.00 0.31 H new HETATM 0 H5'2 TPN B 15 7.882 -11.275 -0.563 1.00 0.61 H new HETATM 0 H5'1 TPN B 15 7.212 -12.094 -1.960 1.00 0.61 H new HETATM 0 H3'2 TPN B 15 6.556 -8.105 -1.814 1.00 0.46 H new HETATM 0 H3'1 TPN B 15 7.435 -8.749 -0.441 1.00 0.46 H new HETATM 0 H2'2 TPN B 15 9.268 -9.382 -1.732 1.00 0.49 H new HETATM 0 H2'1 TPN B 15 8.279 -9.841 -3.105 1.00 0.49 H new HETATM 0 H1'1 TPN B 15 9.532 -7.818 -3.564 1.00 0.41 H new HETATM 0 HN3 TPN B 15 0.088 -9.426 -3.094 1.00 0.29 H new HETATM 0 H6 TPN B 15 4.388 -8.426 -5.003 1.00 0.30 H new HETATM 487 C8' CPN B 16 1.628 -12.595 -0.958 1.00 0.56 C HETATM 488 C7' CPN B 16 1.290 -13.758 -0.017 1.00 0.77 C HETATM 489 O7' CPN B 16 0.131 -14.084 0.156 1.00 0.84 O HETATM 490 C5' CPN B 16 1.902 -15.503 1.574 1.00 1.16 C HETATM 491 C' CPN B 16 1.753 -16.923 1.024 1.00 1.60 C HETATM 492 O1' CPN B 16 1.098 -17.753 1.624 1.00 1.76 O HETATM 493 N4' CPN B 16 2.250 -14.407 0.618 1.00 0.92 N HETATM 494 C3' CPN B 16 3.690 -14.062 0.395 1.00 0.87 C HETATM 495 C2' CPN B 16 4.055 -12.782 1.154 1.00 0.80 C HETATM 496 N1' CPN B 16 4.937 -11.936 0.286 1.00 0.66 N HETATM 497 N1 CPN B 16 0.968 -12.516 -2.279 1.00 0.47 N HETATM 498 C2 CPN B 16 -0.442 -12.443 -2.331 1.00 0.44 C HETATM 499 N3 CPN B 16 -1.038 -12.300 -3.554 1.00 0.46 N HETATM 500 C4 CPN B 16 -0.302 -12.218 -4.666 1.00 0.51 C HETATM 501 C5 CPN B 16 1.130 -12.279 -4.617 1.00 0.53 C HETATM 502 C6 CPN B 16 1.717 -12.441 -3.413 1.00 0.50 C HETATM 503 O2 CPN B 16 -1.127 -12.457 -1.298 1.00 0.47 O HETATM 504 N4 CPN B 16 -0.919 -12.104 -5.840 1.00 0.60 N HETATM 0 HN42 CPN B 16 -0.373 -12.040 -6.699 1.00 0.60 H new HETATM 0 HN41 CPN B 16 -1.938 -12.080 -5.880 1.00 0.60 H new HETATM 0 H8'2 CPN B 16 1.408 -11.669 -0.426 1.00 0.56 H new HETATM 0 H8'1 CPN B 16 2.704 -12.616 -1.130 1.00 0.56 H new HETATM 0 H5'2 CPN B 16 0.964 -15.235 2.061 1.00 1.16 H new HETATM 0 H5'1 CPN B 16 2.669 -15.525 2.349 1.00 1.16 H new HETATM 0 H3'2 CPN B 16 4.324 -14.884 0.729 1.00 0.87 H new HETATM 0 H3'1 CPN B 16 3.878 -13.927 -0.670 1.00 0.87 H new HETATM 0 H2'2 CPN B 16 3.152 -12.233 1.423 1.00 0.80 H new HETATM 0 H2'1 CPN B 16 4.567 -13.029 2.084 1.00 0.80 H new HETATM 0 H1'2 CPN B 16 5.915 -12.133 0.499 1.00 0.66 H new HETATM 0 H1'1 CPN B 16 4.754 -12.148 -0.695 1.00 0.66 H new HETATM 0 H6 CPN B 16 2.803 -12.513 -3.348 1.00 0.50 H new HETATM 0 H5 CPN B 16 1.727 -12.197 -5.526 1.00 0.53 H new HETATM 518 N NH2 B 17 2.153 -17.747 1.953 1.00 2.54 N TER 521 NH2 B 17