USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot -15:sc= 0.196 USER MOD Single : A 2 C O2' : rot -86:sc= 1.2 USER MOD Single : A 3 C O2' : rot -14:sc= 0.15 USER MOD Single : A 4 C O2' : rot 180:sc= -1 USER MOD Single : A 5 U O2' : rot 3:sc= -4.04! USER MOD Single : A 6 G O2' : rot -174:sc= -0.231 USER MOD Single : A 7 A O2' : rot 180:sc= -4.53! USER MOD Single : A 8 A O2' : rot 50:sc= -1.63! USER MOD Single : A 9 A O2' : rot -15:sc= 0.139 USER MOD Single : A 10 A O2' : rot -18:sc= 0.127 USER MOD Single : A 11 A O2' : rot -99:sc= -0.774! USER MOD Single : A 12 G O2' : rot -23:sc= 0.152 USER MOD Single : A 13 G O2' : rot 55:sc= -7.45! USER MOD Single : A 14 G O2' : rot 180:sc= -2.12! USER MOD Single : A 15 C O2' : rot -15:sc= 0.177 USER MOD Single : A 15 C O3' : rot 180:sc= 0.161 USER MOD Single : B 4 GLN : amide:sc= -2.78 K(o=-2.8,f=-8.3!) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN : amide:sc= -4.3! C(o=-4.3!,f=-2!) USER MOD Single : B 17 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.32) USER MOD Single : B 19 LYS NZ :NH3+ 154:sc= -1.29 (180deg=-1.57) USER MOD Single : B 22 ASN : amide:sc= -6.55! C(o=-6.6!,f=-5.8!) USER MOD Single : B 29 SER OG : rot -55:sc= 0.0343 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.729 -13.704 -0.413 1.00 0.76 N ATOM 2 CA ASP B 2 9.090 -12.653 0.435 1.00 0.88 C ATOM 3 C ASP B 2 7.598 -12.936 0.589 1.00 0.68 C ATOM 4 O ASP B 2 7.136 -14.045 0.400 1.00 0.66 O ATOM 5 CB ASP B 2 9.304 -11.334 -0.314 1.00 1.25 C ATOM 6 CG ASP B 2 10.789 -11.151 -0.635 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.239 -11.723 -1.615 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.452 -10.442 0.104 1.00 2.35 O ATOM 0 HA ASP B 2 9.520 -12.624 1.436 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.721 -11.330 -1.235 1.00 1.25 H new ATOM 0 HB3 ASP B 2 8.949 -10.500 0.292 1.00 1.25 H new ATOM 15 N ALA B 3 6.846 -11.932 0.932 1.00 0.63 N ATOM 16 CA ALA B 3 5.376 -12.115 1.107 1.00 0.58 C ATOM 17 C ALA B 3 4.678 -10.760 1.137 1.00 0.63 C ATOM 18 O ALA B 3 3.632 -10.579 0.547 1.00 0.61 O ATOM 19 CB ALA B 3 5.225 -12.832 2.444 1.00 0.75 C ATOM 0 H ALA B 3 7.186 -10.985 1.100 1.00 0.63 H new ATOM 0 HA ALA B 3 4.927 -12.682 0.291 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.168 -13.004 2.647 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.748 -13.788 2.405 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.651 -12.217 3.237 1.00 0.75 H new ATOM 25 N GLN B 4 5.255 -9.804 1.805 1.00 0.75 N ATOM 26 CA GLN B 4 4.624 -8.456 1.853 1.00 0.89 C ATOM 27 C GLN B 4 4.711 -7.828 0.477 1.00 0.79 C ATOM 28 O GLN B 4 3.712 -7.469 -0.114 1.00 0.81 O ATOM 29 CB GLN B 4 5.442 -7.657 2.865 1.00 1.09 C ATOM 30 CG GLN B 4 4.776 -6.302 3.105 1.00 1.29 C ATOM 31 CD GLN B 4 5.471 -5.594 4.268 1.00 0.85 C ATOM 32 OE1 GLN B 4 5.845 -6.222 5.239 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.666 -4.306 4.210 1.00 0.94 N ATOM 0 H GLN B 4 6.132 -9.895 2.318 1.00 0.75 H new ATOM 0 HA GLN B 4 3.573 -8.490 2.140 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.518 -8.208 3.803 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.458 -7.514 2.496 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.836 -5.691 2.205 1.00 1.29 H new ATOM 0 HG3 GLN B 4 3.718 -6.439 3.328 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.352 -3.779 3.395 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.132 -3.826 4.979 1.00 0.94 H new ATOM 42 N THR B 5 5.898 -7.730 -0.056 1.00 0.76 N ATOM 43 CA THR B 5 6.042 -7.168 -1.428 1.00 0.79 C ATOM 44 C THR B 5 5.043 -7.892 -2.326 1.00 0.59 C ATOM 45 O THR B 5 4.473 -7.330 -3.241 1.00 0.57 O ATOM 46 CB THR B 5 7.480 -7.472 -1.848 1.00 0.94 C ATOM 47 OG1 THR B 5 8.380 -6.800 -0.977 1.00 1.26 O ATOM 48 CG2 THR B 5 7.698 -6.993 -3.281 1.00 0.94 C ATOM 0 H THR B 5 6.768 -8.012 0.395 1.00 0.76 H new ATOM 0 HA THR B 5 5.849 -6.097 -1.487 1.00 0.79 H new ATOM 0 HB THR B 5 7.659 -8.546 -1.792 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.302 -6.996 -1.245 1.00 1.26 H new ATOM 0 HG21 THR B 5 8.723 -7.208 -3.585 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.006 -7.510 -3.947 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.521 -5.919 -3.337 1.00 0.94 H new ATOM 56 N ARG B 6 4.797 -9.139 -2.017 1.00 0.48 N ATOM 57 CA ARG B 6 3.800 -9.925 -2.783 1.00 0.46 C ATOM 58 C ARG B 6 2.419 -9.432 -2.411 1.00 0.43 C ATOM 59 O ARG B 6 1.579 -9.179 -3.251 1.00 0.45 O ATOM 60 CB ARG B 6 3.943 -11.359 -2.288 1.00 0.56 C ATOM 61 CG ARG B 6 4.399 -12.268 -3.433 1.00 0.78 C ATOM 62 CD ARG B 6 4.607 -13.692 -2.909 1.00 1.03 C ATOM 63 NE ARG B 6 3.319 -14.058 -2.248 1.00 0.88 N ATOM 64 CZ ARG B 6 2.261 -14.362 -2.961 1.00 0.73 C ATOM 65 NH1 ARG B 6 2.308 -14.352 -4.268 1.00 1.43 N ATOM 66 NH2 ARG B 6 1.148 -14.678 -2.358 1.00 1.26 N ATOM 0 H ARG B 6 5.252 -9.646 -1.258 1.00 0.48 H new ATOM 0 HA ARG B 6 3.945 -9.841 -3.860 1.00 0.46 H new ATOM 0 HB2 ARG B 6 4.664 -11.400 -1.472 1.00 0.56 H new ATOM 0 HB3 ARG B 6 2.991 -11.711 -1.891 1.00 0.56 H new ATOM 0 HG2 ARG B 6 3.654 -12.268 -4.229 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.326 -11.889 -3.864 1.00 0.78 H new ATOM 0 HD2 ARG B 6 4.842 -14.380 -3.721 1.00 1.03 H new ATOM 0 HD3 ARG B 6 5.437 -13.735 -2.204 1.00 1.03 H new ATOM 0 HE ARG B 6 3.261 -14.072 -1.230 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.175 -14.106 -4.745 1.00 1.43 H new ATOM 0 HH12 ARG B 6 1.478 -14.591 -4.810 1.00 1.43 H new ATOM 0 HH21 ARG B 6 1.105 -14.687 -1.339 1.00 1.26 H new ATOM 0 HH22 ARG B 6 0.321 -14.916 -2.906 1.00 1.26 H new ATOM 80 N ARG B 7 2.181 -9.305 -1.133 1.00 0.61 N ATOM 81 CA ARG B 7 0.853 -8.841 -0.681 1.00 0.80 C ATOM 82 C ARG B 7 0.564 -7.478 -1.303 1.00 0.65 C ATOM 83 O ARG B 7 -0.560 -7.157 -1.633 1.00 0.56 O ATOM 84 CB ARG B 7 0.952 -8.737 0.843 1.00 1.16 C ATOM 85 CG ARG B 7 -0.302 -8.044 1.390 1.00 1.10 C ATOM 86 CD ARG B 7 -0.086 -7.665 2.854 1.00 0.92 C ATOM 87 NE ARG B 7 -0.899 -6.435 3.060 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.200 -6.489 3.095 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.828 -7.630 2.949 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.873 -5.386 3.278 1.00 1.61 N ATOM 0 H ARG B 7 2.851 -9.504 -0.390 1.00 0.61 H new ATOM 0 HA ARG B 7 0.048 -9.514 -0.974 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.052 -9.730 1.280 1.00 1.16 H new ATOM 0 HB3 ARG B 7 1.843 -8.175 1.123 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.522 -7.153 0.803 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -1.163 -8.706 1.299 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.407 -8.466 3.520 1.00 0.92 H new ATOM 0 HD3 ARG B 7 0.968 -7.480 3.062 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.430 -5.536 3.175 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.298 -8.489 2.806 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.847 -7.659 2.978 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.380 -4.500 3.391 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.892 -5.410 3.308 1.00 1.61 H new ATOM 104 N ARG B 8 1.582 -6.681 -1.477 1.00 0.68 N ATOM 105 CA ARG B 8 1.387 -5.339 -2.091 1.00 0.67 C ATOM 106 C ARG B 8 0.698 -5.505 -3.432 1.00 0.48 C ATOM 107 O ARG B 8 -0.178 -4.741 -3.789 1.00 0.50 O ATOM 108 CB ARG B 8 2.795 -4.773 -2.268 1.00 0.77 C ATOM 109 CG ARG B 8 2.791 -3.275 -1.968 1.00 0.73 C ATOM 110 CD ARG B 8 2.735 -3.053 -0.454 1.00 0.73 C ATOM 111 NE ARG B 8 3.906 -3.802 0.093 1.00 0.85 N ATOM 112 CZ ARG B 8 5.127 -3.360 -0.086 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.343 -2.253 -0.745 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.137 -4.028 0.399 1.00 1.16 N ATOM 0 H ARG B 8 2.544 -6.903 -1.219 1.00 0.68 H new ATOM 0 HA ARG B 8 0.769 -4.677 -1.484 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.489 -5.285 -1.602 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.142 -4.949 -3.286 1.00 0.77 H new ATOM 0 HG2 ARG B 8 3.686 -2.809 -2.381 1.00 0.73 H new ATOM 0 HG3 ARG B 8 1.935 -2.800 -2.447 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.796 -1.993 -0.209 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.799 -3.424 -0.036 1.00 0.73 H new ATOM 0 HE ARG B 8 3.754 -4.667 0.612 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.558 -1.724 -1.125 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.297 -1.917 -0.879 1.00 1.43 H new ATOM 0 HH21 ARG B 8 5.976 -4.892 0.916 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.088 -3.686 0.261 1.00 1.16 H new ATOM 128 N GLU B 9 1.046 -6.528 -4.157 1.00 0.38 N ATOM 129 CA GLU B 9 0.352 -6.761 -5.448 1.00 0.34 C ATOM 130 C GLU B 9 -1.115 -7.001 -5.128 1.00 0.31 C ATOM 131 O GLU B 9 -2.005 -6.592 -5.848 1.00 0.34 O ATOM 132 CB GLU B 9 1.003 -8.004 -6.061 1.00 0.40 C ATOM 133 CG GLU B 9 2.468 -7.705 -6.394 1.00 0.59 C ATOM 134 CD GLU B 9 2.726 -7.989 -7.876 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.902 -9.148 -8.215 1.00 1.88 O ATOM 136 OE2 GLU B 9 2.744 -7.043 -8.646 1.00 1.73 O ATOM 0 H GLU B 9 1.771 -7.204 -3.915 1.00 0.38 H new ATOM 0 HA GLU B 9 0.426 -5.927 -6.146 1.00 0.34 H new ATOM 0 HB2 GLU B 9 0.941 -8.840 -5.365 1.00 0.40 H new ATOM 0 HB3 GLU B 9 0.468 -8.300 -6.963 1.00 0.40 H new ATOM 0 HG2 GLU B 9 2.698 -6.664 -6.167 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.124 -8.318 -5.776 1.00 0.59 H new ATOM 143 N ARG B 10 -1.363 -7.613 -4.002 1.00 0.31 N ATOM 144 CA ARG B 10 -2.759 -7.831 -3.566 1.00 0.38 C ATOM 145 C ARG B 10 -3.302 -6.510 -3.038 1.00 0.35 C ATOM 146 O ARG B 10 -4.494 -6.337 -2.875 1.00 0.40 O ATOM 147 CB ARG B 10 -2.683 -8.880 -2.453 1.00 0.46 C ATOM 148 CG ARG B 10 -3.455 -10.131 -2.877 1.00 0.73 C ATOM 149 CD ARG B 10 -2.853 -11.361 -2.193 1.00 0.67 C ATOM 150 NE ARG B 10 -3.656 -12.514 -2.696 1.00 1.55 N ATOM 151 CZ ARG B 10 -4.873 -12.728 -2.254 1.00 2.12 C ATOM 152 NH1 ARG B 10 -5.411 -11.934 -1.363 1.00 3.14 N ATOM 153 NH2 ARG B 10 -5.556 -13.742 -2.709 1.00 2.20 N ATOM 0 H ARG B 10 -0.650 -7.971 -3.366 1.00 0.31 H new ATOM 0 HA ARG B 10 -3.415 -8.171 -4.368 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.643 -9.134 -2.248 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -3.101 -8.477 -1.530 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -4.506 -10.031 -2.608 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -3.413 -10.247 -3.960 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.798 -11.475 -2.443 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.916 -11.280 -1.108 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.254 -13.143 -3.391 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -4.883 -11.138 -1.004 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -6.358 -12.111 -1.028 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -5.144 -14.364 -3.405 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -6.502 -13.913 -2.369 1.00 2.20 H new ATOM 167 N ARG B 11 -2.432 -5.560 -2.792 1.00 0.29 N ATOM 168 CA ARG B 11 -2.904 -4.246 -2.305 1.00 0.29 C ATOM 169 C ARG B 11 -3.042 -3.282 -3.475 1.00 0.24 C ATOM 170 O ARG B 11 -3.388 -2.138 -3.291 1.00 0.25 O ATOM 171 CB ARG B 11 -1.839 -3.742 -1.333 1.00 0.32 C ATOM 172 CG ARG B 11 -1.756 -4.658 -0.099 1.00 0.41 C ATOM 173 CD ARG B 11 -3.147 -4.816 0.526 1.00 0.55 C ATOM 174 NE ARG B 11 -3.355 -6.292 0.604 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.554 -6.794 0.782 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.598 -6.014 0.896 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.709 -8.088 0.847 1.00 1.76 N ATOM 0 H ARG B 11 -1.422 -5.646 -2.910 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.877 -4.324 -1.820 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.871 -3.707 -1.832 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -2.075 -2.724 -1.022 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.363 -5.634 -0.385 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -1.065 -4.237 0.631 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.193 -4.356 1.513 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.913 -4.339 -0.085 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.555 -6.918 0.518 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.486 -5.001 0.847 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -6.524 -6.418 1.034 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.900 -8.704 0.760 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.639 -8.484 0.985 1.00 1.76 H new ATOM 191 N ALA B 12 -2.800 -3.732 -4.683 1.00 0.24 N ATOM 192 CA ALA B 12 -2.959 -2.807 -5.847 1.00 0.28 C ATOM 193 C ALA B 12 -4.372 -2.231 -5.801 1.00 0.31 C ATOM 194 O ALA B 12 -4.627 -1.132 -6.252 1.00 0.33 O ATOM 195 CB ALA B 12 -2.758 -3.675 -7.089 1.00 0.34 C ATOM 0 H ALA B 12 -2.505 -4.682 -4.910 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.253 -1.976 -5.843 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.861 -3.060 -7.983 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.762 -4.118 -7.066 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.507 -4.467 -7.105 1.00 0.34 H new ATOM 201 N GLU B 13 -5.284 -2.964 -5.216 1.00 0.34 N ATOM 202 CA GLU B 13 -6.673 -2.459 -5.087 1.00 0.41 C ATOM 203 C GLU B 13 -6.699 -1.419 -3.972 1.00 0.38 C ATOM 204 O GLU B 13 -7.420 -0.445 -4.036 1.00 0.42 O ATOM 205 CB GLU B 13 -7.521 -3.679 -4.722 1.00 0.48 C ATOM 206 CG GLU B 13 -7.520 -4.669 -5.889 1.00 0.52 C ATOM 207 CD GLU B 13 -8.865 -5.400 -5.939 1.00 0.77 C ATOM 208 OE1 GLU B 13 -9.037 -6.335 -5.174 1.00 1.15 O ATOM 209 OE2 GLU B 13 -9.697 -5.012 -6.741 1.00 1.18 O ATOM 0 H GLU B 13 -5.121 -3.891 -4.823 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.049 -1.990 -5.996 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -7.124 -4.156 -3.826 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.541 -3.371 -4.494 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.345 -4.142 -6.827 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.708 -5.387 -5.771 1.00 0.52 H new ATOM 216 N LYS B 14 -5.878 -1.599 -2.967 1.00 0.33 N ATOM 217 CA LYS B 14 -5.819 -0.597 -1.871 1.00 0.33 C ATOM 218 C LYS B 14 -4.960 0.566 -2.360 1.00 0.28 C ATOM 219 O LYS B 14 -5.201 1.720 -2.064 1.00 0.30 O ATOM 220 CB LYS B 14 -5.143 -1.321 -0.704 1.00 0.31 C ATOM 221 CG LYS B 14 -5.983 -2.528 -0.286 1.00 0.38 C ATOM 222 CD LYS B 14 -7.100 -2.078 0.659 1.00 1.23 C ATOM 223 CE LYS B 14 -7.228 -3.078 1.811 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.104 -4.160 1.285 1.00 1.83 N ATOM 0 H LYS B 14 -5.250 -2.396 -2.863 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.793 -0.208 -1.573 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.144 -1.645 -0.995 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -5.024 -0.640 0.139 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.410 -3.008 -1.166 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.353 -3.268 0.207 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.882 -1.084 1.049 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -8.043 -2.008 0.117 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -6.254 -3.467 2.106 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.665 -2.610 2.693 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -8.239 -4.885 2.019 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.027 -3.761 1.019 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -7.659 -4.591 0.450 1.00 1.83 H new ATOM 238 N GLN B 15 -3.966 0.239 -3.134 1.00 0.25 N ATOM 239 CA GLN B 15 -3.055 1.262 -3.705 1.00 0.24 C ATOM 240 C GLN B 15 -3.784 2.054 -4.783 1.00 0.28 C ATOM 241 O GLN B 15 -3.779 3.263 -4.785 1.00 0.28 O ATOM 242 CB GLN B 15 -1.919 0.442 -4.321 1.00 0.24 C ATOM 243 CG GLN B 15 -0.663 0.587 -3.469 1.00 0.25 C ATOM 244 CD GLN B 15 0.203 -0.659 -3.642 1.00 0.30 C ATOM 245 OE1 GLN B 15 1.297 -0.591 -4.167 1.00 0.35 O ATOM 246 NE2 GLN B 15 -0.248 -1.807 -3.216 1.00 0.33 N ATOM 0 H GLN B 15 -3.743 -0.720 -3.400 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.699 1.980 -2.966 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.208 -0.607 -4.385 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.722 0.781 -5.338 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.107 1.476 -3.767 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.932 0.716 -2.421 1.00 0.25 H new ATOM 0 HE21 GLN B 15 -1.166 -1.862 -2.776 1.00 0.33 H new ATOM 0 HE22 GLN B 15 0.318 -2.649 -3.323 1.00 0.33 H new ATOM 255 N ALA B 16 -4.415 1.377 -5.696 1.00 0.35 N ATOM 256 CA ALA B 16 -5.151 2.099 -6.773 1.00 0.41 C ATOM 257 C ALA B 16 -6.350 2.826 -6.173 1.00 0.40 C ATOM 258 O ALA B 16 -6.788 3.838 -6.685 1.00 0.43 O ATOM 259 CB ALA B 16 -5.601 1.017 -7.755 1.00 0.48 C ATOM 0 H ALA B 16 -4.455 0.359 -5.746 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.536 2.849 -7.270 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.151 1.477 -8.576 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.728 0.497 -8.149 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.246 0.304 -7.241 1.00 0.48 H new ATOM 265 N GLN B 17 -6.869 2.345 -5.073 1.00 0.40 N ATOM 266 CA GLN B 17 -8.014 3.054 -4.440 1.00 0.42 C ATOM 267 C GLN B 17 -7.452 4.227 -3.656 1.00 0.37 C ATOM 268 O GLN B 17 -8.036 5.292 -3.584 1.00 0.40 O ATOM 269 CB GLN B 17 -8.669 2.035 -3.508 1.00 0.45 C ATOM 270 CG GLN B 17 -9.614 1.138 -4.309 1.00 0.53 C ATOM 271 CD GLN B 17 -10.852 1.938 -4.720 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.810 2.022 -3.977 1.00 1.06 O ATOM 273 NE2 GLN B 17 -10.873 2.532 -5.881 1.00 1.33 N ATOM 0 H GLN B 17 -6.553 1.503 -4.593 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.742 3.434 -5.157 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.905 1.430 -3.020 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.220 2.549 -2.721 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.106 0.755 -5.194 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.908 0.275 -3.711 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.069 2.461 -6.505 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -11.694 3.067 -6.165 1.00 1.33 H new ATOM 282 N TRP B 18 -6.295 4.036 -3.098 1.00 0.32 N ATOM 283 CA TRP B 18 -5.635 5.125 -2.342 1.00 0.30 C ATOM 284 C TRP B 18 -5.020 6.106 -3.335 1.00 0.31 C ATOM 285 O TRP B 18 -5.172 7.306 -3.231 1.00 0.35 O ATOM 286 CB TRP B 18 -4.522 4.435 -1.555 1.00 0.25 C ATOM 287 CG TRP B 18 -3.682 5.482 -0.907 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.796 5.931 0.360 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.603 6.226 -1.504 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.849 6.923 0.562 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.083 7.130 -0.560 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.033 6.192 -2.770 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.025 7.977 -0.876 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -0.977 7.028 -3.095 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.471 7.921 -2.157 1.00 0.38 C ATOM 0 H TRP B 18 -5.773 3.160 -3.135 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.322 5.670 -1.695 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.946 3.770 -0.802 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -3.915 3.819 -2.218 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.506 5.577 1.093 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.735 7.436 1.436 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.417 5.506 -3.510 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.638 8.668 -0.141 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.544 6.986 -4.083 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.350 8.571 -2.419 1.00 0.38 H new ATOM 306 N LYS B 19 -4.321 5.579 -4.295 1.00 0.30 N ATOM 307 CA LYS B 19 -3.664 6.433 -5.316 1.00 0.37 C ATOM 308 C LYS B 19 -4.730 7.238 -6.029 1.00 0.46 C ATOM 309 O LYS B 19 -4.524 8.374 -6.408 1.00 0.70 O ATOM 310 CB LYS B 19 -2.984 5.464 -6.286 1.00 0.40 C ATOM 311 CG LYS B 19 -1.688 4.922 -5.677 1.00 0.49 C ATOM 312 CD LYS B 19 -0.954 4.073 -6.717 1.00 0.96 C ATOM 313 CE LYS B 19 0.547 4.100 -6.427 1.00 1.30 C ATOM 314 NZ LYS B 19 0.752 3.069 -5.371 1.00 1.92 N ATOM 0 H LYS B 19 -4.175 4.577 -4.417 1.00 0.30 H new ATOM 0 HA LYS B 19 -2.942 7.129 -4.888 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.657 4.639 -6.518 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -2.767 5.972 -7.226 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.054 5.746 -5.351 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -1.911 4.323 -4.794 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.322 3.047 -6.691 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.149 4.456 -7.719 1.00 0.96 H new ATOM 0 HE2 LYS B 19 1.126 3.870 -7.321 1.00 1.30 H new ATOM 0 HE3 LYS B 19 0.866 5.085 -6.085 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.727 2.709 -5.421 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.587 3.493 -4.436 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.085 2.284 -5.518 1.00 1.92 H new ATOM 328 N ALA B 20 -5.880 6.655 -6.205 1.00 0.44 N ATOM 329 CA ALA B 20 -6.966 7.392 -6.882 1.00 0.52 C ATOM 330 C ALA B 20 -7.350 8.619 -6.056 1.00 0.56 C ATOM 331 O ALA B 20 -7.787 9.624 -6.582 1.00 0.74 O ATOM 332 CB ALA B 20 -8.137 6.423 -6.956 1.00 0.55 C ATOM 0 H ALA B 20 -6.109 5.706 -5.910 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.669 7.739 -7.872 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -8.980 6.908 -7.449 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -7.843 5.540 -7.524 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.428 6.126 -5.948 1.00 0.55 H new ATOM 338 N ALA B 21 -7.189 8.541 -4.761 1.00 0.54 N ATOM 339 CA ALA B 21 -7.545 9.702 -3.898 1.00 0.66 C ATOM 340 C ALA B 21 -6.323 10.191 -3.131 1.00 0.73 C ATOM 341 O ALA B 21 -6.428 10.765 -2.065 1.00 0.99 O ATOM 342 CB ALA B 21 -8.617 9.181 -2.943 1.00 0.71 C ATOM 0 H ALA B 21 -6.827 7.726 -4.266 1.00 0.54 H new ATOM 0 HA ALA B 21 -7.905 10.550 -4.481 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -8.929 9.983 -2.274 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.476 8.831 -3.516 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.212 8.357 -2.356 1.00 0.71 H new ATOM 348 N ASN B 22 -5.172 9.990 -3.691 1.00 0.73 N ATOM 349 CA ASN B 22 -3.918 10.462 -3.031 1.00 0.88 C ATOM 350 C ASN B 22 -2.818 10.704 -4.069 1.00 1.08 C ATOM 351 O ASN B 22 -1.707 10.235 -3.917 1.00 0.00 O ATOM 352 CB ASN B 22 -3.495 9.359 -2.068 1.00 0.93 C ATOM 353 CG ASN B 22 -4.528 9.234 -0.951 1.00 0.94 C ATOM 354 OD1 ASN B 22 -4.787 10.180 -0.234 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.128 8.098 -0.777 1.00 0.94 N ATOM 0 H ASN B 22 -5.037 9.516 -4.584 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.085 11.405 -2.510 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.403 8.412 -2.600 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.515 9.585 -1.648 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.821 7.996 -0.036 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -4.907 7.307 -1.382 1.00 0.94 H new ATOM 362 N PRO B 23 -3.154 11.464 -5.076 1.00 0.00 N ATOM 363 CA PRO B 23 -2.174 11.808 -6.120 1.00 0.00 C ATOM 364 C PRO B 23 -1.166 12.765 -5.492 1.00 0.00 C ATOM 365 O PRO B 23 -0.002 12.792 -5.838 1.00 0.00 O ATOM 366 CB PRO B 23 -3.011 12.481 -7.204 1.00 0.00 C ATOM 367 CG PRO B 23 -4.216 12.995 -6.490 1.00 0.00 C ATOM 368 CD PRO B 23 -4.453 12.074 -5.321 1.00 0.00 C ATOM 0 HA PRO B 23 -1.617 10.967 -6.533 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.460 13.290 -7.684 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.286 11.775 -7.987 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.057 14.018 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.081 13.010 -7.153 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -4.806 12.622 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.208 11.323 -5.553 1.00 0.00 H new ATOM 376 N LEU B 24 -1.622 13.524 -4.528 1.00 0.00 N ATOM 377 CA LEU B 24 -0.721 14.470 -3.810 1.00 0.00 C ATOM 378 C LEU B 24 0.467 13.699 -3.235 1.00 0.00 C ATOM 379 O LEU B 24 1.585 14.173 -3.208 1.00 0.00 O ATOM 380 CB LEU B 24 -1.598 15.076 -2.693 1.00 0.00 C ATOM 381 CG LEU B 24 -1.548 14.223 -1.403 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.118 15.039 -0.243 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.380 12.939 -1.568 1.00 0.00 C ATOM 0 H LEU B 24 -2.590 13.527 -4.206 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.309 15.247 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.260 16.089 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.629 15.152 -3.040 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.512 13.948 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.086 14.445 0.670 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.525 15.943 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.150 15.312 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.332 12.354 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.417 13.202 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.981 12.351 -2.395 1.00 0.00 H new ATOM 395 N LEU B 25 0.218 12.496 -2.807 1.00 0.00 N ATOM 396 CA LEU B 25 1.303 11.643 -2.261 1.00 0.00 C ATOM 397 C LEU B 25 1.714 10.678 -3.356 1.00 0.00 C ATOM 398 O LEU B 25 2.067 9.539 -3.121 1.00 0.00 O ATOM 399 CB LEU B 25 0.660 10.901 -1.091 1.00 0.00 C ATOM 400 CG LEU B 25 0.865 11.697 0.198 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.236 11.340 1.198 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.229 11.351 0.800 1.00 0.00 C ATOM 0 H LEU B 25 -0.705 12.062 -2.813 1.00 0.00 H new ATOM 0 HA LEU B 25 2.187 12.192 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.405 10.760 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.100 9.909 -0.991 1.00 0.00 H new ATOM 0 HG LEU B 25 0.824 12.763 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.090 11.907 2.117 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.209 11.584 0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.195 10.274 1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.376 11.918 1.719 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.269 10.285 1.022 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.015 11.603 0.089 1.00 0.00 H new ATOM 414 N VAL B 26 1.628 11.143 -4.560 1.00 0.00 N ATOM 415 CA VAL B 26 1.953 10.300 -5.727 1.00 0.00 C ATOM 416 C VAL B 26 2.776 11.110 -6.731 1.00 0.00 C ATOM 417 O VAL B 26 2.329 12.113 -7.254 1.00 0.00 O ATOM 418 CB VAL B 26 0.566 9.918 -6.268 1.00 0.00 C ATOM 419 CG1 VAL B 26 0.505 10.092 -7.787 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.270 8.464 -5.898 1.00 0.00 C ATOM 0 H VAL B 26 1.339 12.094 -4.789 1.00 0.00 H new ATOM 0 HA VAL B 26 2.557 9.421 -5.503 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.181 10.575 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -0.487 9.815 -8.145 1.00 0.00 H new ATOM 0 HG12 VAL B 26 0.706 11.132 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL B 26 1.252 9.452 -8.257 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.713 8.185 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.027 7.815 -6.338 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.284 8.354 -4.814 1.00 0.00 H new ATOM 430 N GLY B 27 3.982 10.685 -6.992 1.00 0.00 N ATOM 431 CA GLY B 27 4.847 11.431 -7.950 1.00 0.00 C ATOM 432 C GLY B 27 4.979 12.884 -7.484 1.00 0.00 C ATOM 433 O GLY B 27 5.624 13.172 -6.496 1.00 0.00 O ATOM 0 H GLY B 27 4.406 9.853 -6.583 1.00 0.00 H new ATOM 0 HA2 GLY B 27 5.831 10.965 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY B 27 4.417 11.395 -8.951 1.00 0.00 H new ATOM 437 N VAL B 28 4.361 13.798 -8.184 1.00 0.00 N ATOM 438 CA VAL B 28 4.437 15.236 -7.784 1.00 0.00 C ATOM 439 C VAL B 28 3.523 16.069 -8.683 1.00 0.00 C ATOM 440 O VAL B 28 3.058 15.606 -9.706 1.00 0.00 O ATOM 441 CB VAL B 28 5.904 15.636 -7.972 1.00 0.00 C ATOM 442 CG1 VAL B 28 6.325 15.394 -9.424 1.00 0.00 C ATOM 443 CG2 VAL B 28 6.077 17.121 -7.636 1.00 0.00 C ATOM 0 H VAL B 28 3.805 13.611 -9.018 1.00 0.00 H new ATOM 0 HA VAL B 28 4.113 15.400 -6.756 1.00 0.00 H new ATOM 0 HB VAL B 28 6.527 15.035 -7.309 1.00 0.00 H new ATOM 0 HG11 VAL B 28 7.369 15.680 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL B 28 6.206 14.338 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.701 15.992 -10.088 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.121 17.405 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.450 17.719 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.783 17.297 -6.601 1.00 0.00 H new ATOM 453 N SER B 29 3.254 17.291 -8.303 1.00 0.00 N ATOM 454 CA SER B 29 2.355 18.155 -9.127 1.00 0.00 C ATOM 455 C SER B 29 1.069 17.399 -9.443 1.00 0.00 C ATOM 456 O SER B 29 0.495 17.523 -10.507 1.00 0.00 O ATOM 457 CB SER B 29 3.137 18.463 -10.403 1.00 0.00 C ATOM 458 OG SER B 29 2.552 19.585 -11.053 1.00 0.00 O ATOM 0 H SER B 29 3.618 17.729 -7.457 1.00 0.00 H new ATOM 0 HA SER B 29 2.071 19.072 -8.611 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.180 18.670 -10.163 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.128 17.598 -11.066 1.00 0.00 H new ATOM 0 HG SER B 29 1.600 19.414 -11.207 1.00 0.00 H new ATOM 464 N ALA B 30 0.623 16.620 -8.506 1.00 0.00 N ATOM 465 CA ALA B 30 -0.626 15.834 -8.700 1.00 0.00 C ATOM 466 C ALA B 30 -1.636 16.225 -7.626 1.00 0.00 C ATOM 467 O ALA B 30 -2.227 15.388 -6.971 1.00 0.00 O ATOM 468 CB ALA B 30 -0.202 14.370 -8.549 1.00 0.00 C ATOM 0 H ALA B 30 1.074 16.490 -7.601 1.00 0.00 H new ATOM 0 HA ALA B 30 -1.096 16.012 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -1.071 13.724 -8.679 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.546 14.128 -9.304 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.221 14.214 -7.556 1.00 0.00 H new ATOM 474 N LYS B 31 -1.827 17.502 -7.437 1.00 0.00 N ATOM 475 CA LYS B 31 -2.788 17.976 -6.400 1.00 0.00 C ATOM 476 C LYS B 31 -3.798 18.942 -7.024 1.00 0.00 C ATOM 477 O LYS B 31 -3.466 19.679 -7.931 1.00 0.00 O ATOM 478 CB LYS B 31 -1.929 18.710 -5.367 1.00 0.00 C ATOM 479 CG LYS B 31 -0.856 17.771 -4.810 1.00 0.00 C ATOM 480 CD LYS B 31 0.456 18.541 -4.635 1.00 0.00 C ATOM 481 CE LYS B 31 0.301 19.572 -3.514 1.00 0.00 C ATOM 482 NZ LYS B 31 1.488 19.369 -2.639 1.00 0.00 N ATOM 0 H LYS B 31 -1.356 18.241 -7.959 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.353 17.156 -5.957 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.459 19.580 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.557 19.078 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.179 17.359 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.708 16.929 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.266 17.851 -4.398 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.724 19.039 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.272 20.586 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.627 19.419 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.453 20.041 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.485 18.397 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.356 19.528 -3.189 1.00 0.00 H new ATOM 496 N PRO B 32 -5.004 18.919 -6.514 1.00 0.00 N ATOM 497 CA PRO B 32 -6.056 19.820 -7.035 1.00 0.00 C ATOM 498 C PRO B 32 -5.822 21.246 -6.527 1.00 0.00 C ATOM 499 O PRO B 32 -4.992 21.479 -5.670 1.00 0.00 O ATOM 500 CB PRO B 32 -7.344 19.241 -6.460 1.00 0.00 C ATOM 501 CG PRO B 32 -6.927 18.502 -5.227 1.00 0.00 C ATOM 502 CD PRO B 32 -5.496 18.066 -5.423 1.00 0.00 C ATOM 0 HA PRO B 32 -6.075 19.879 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -8.059 20.029 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -7.829 18.575 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -7.016 19.141 -4.348 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -7.572 17.639 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -4.910 18.204 -4.514 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -5.434 17.010 -5.685 1.00 0.00 H new ATOM 510 N VAL B 33 -6.545 22.199 -7.047 1.00 0.00 N ATOM 511 CA VAL B 33 -6.363 23.609 -6.593 1.00 0.00 C ATOM 512 C VAL B 33 -7.707 24.343 -6.589 1.00 0.00 C ATOM 513 O VAL B 33 -8.607 24.012 -7.337 1.00 0.00 O ATOM 514 CB VAL B 33 -5.407 24.238 -7.610 1.00 0.00 C ATOM 515 CG1 VAL B 33 -4.054 23.527 -7.545 1.00 0.00 C ATOM 516 CG2 VAL B 33 -5.988 24.096 -9.021 1.00 0.00 C ATOM 0 H VAL B 33 -7.255 22.064 -7.767 1.00 0.00 H new ATOM 0 HA VAL B 33 -5.969 23.666 -5.578 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.277 25.295 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -3.373 23.974 -8.269 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -3.637 23.629 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -4.187 22.470 -7.777 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.305 24.545 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -6.121 23.040 -9.255 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -6.952 24.602 -9.070 1.00 0.00 H new ATOM 526 N ASN B 34 -7.849 25.335 -5.752 1.00 0.00 N ATOM 527 CA ASN B 34 -9.134 26.091 -5.698 1.00 0.00 C ATOM 528 C ASN B 34 -8.921 27.531 -6.176 1.00 0.00 C ATOM 529 O ASN B 34 -9.245 28.478 -5.486 1.00 0.00 O ATOM 530 CB ASN B 34 -9.544 26.069 -4.225 1.00 0.00 C ATOM 531 CG ASN B 34 -10.508 24.906 -3.981 1.00 0.00 C ATOM 532 OD1 ASN B 34 -10.153 23.931 -3.347 1.00 0.00 O ATOM 533 ND2 ASN B 34 -11.720 24.967 -4.459 1.00 0.00 N ATOM 0 H ASN B 34 -7.130 25.655 -5.103 1.00 0.00 H new ATOM 0 HA ASN B 34 -9.899 25.654 -6.340 1.00 0.00 H new ATOM 0 HB2 ASN B 34 -8.662 25.963 -3.593 1.00 0.00 H new ATOM 0 HB3 ASN B 34 -10.019 27.012 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN B 34 -12.370 24.197 -4.301 1.00 0.00 H new ATOM 0 HD22 ASN B 34 -12.018 25.785 -4.991 1.00 0.00 H new ATOM 540 N ARG B 35 -8.380 27.700 -7.353 1.00 0.00 N ATOM 541 CA ARG B 35 -8.147 29.078 -7.878 1.00 0.00 C ATOM 542 C ARG B 35 -9.478 29.721 -8.296 1.00 0.00 C ATOM 543 O ARG B 35 -9.811 30.794 -7.834 1.00 0.00 O ATOM 544 CB ARG B 35 -7.226 28.900 -9.089 1.00 0.00 C ATOM 545 CG ARG B 35 -5.827 29.435 -8.761 1.00 0.00 C ATOM 546 CD ARG B 35 -4.787 28.336 -9.003 1.00 0.00 C ATOM 547 NE ARG B 35 -4.724 28.180 -10.485 1.00 0.00 N ATOM 548 CZ ARG B 35 -3.899 27.320 -11.033 1.00 0.00 C ATOM 549 NH1 ARG B 35 -3.114 26.581 -10.292 1.00 0.00 N ATOM 550 NH2 ARG B 35 -3.862 27.199 -12.332 1.00 0.00 N ATOM 0 H ARG B 35 -8.089 26.944 -7.974 1.00 0.00 H new ATOM 0 HA ARG B 35 -7.703 29.733 -7.128 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -7.168 27.846 -9.361 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -7.635 29.429 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -5.604 30.303 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -5.787 29.765 -7.723 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -3.816 28.615 -8.594 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -5.079 27.403 -8.521 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.329 28.748 -11.078 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -3.139 26.670 -9.276 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -2.477 25.916 -10.730 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.472 27.771 -12.915 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -3.223 26.532 -12.764 1.00 0.00 H new ATOM 564 N PRO B 36 -10.201 29.046 -9.158 1.00 0.00 N ATOM 565 CA PRO B 36 -11.502 29.579 -9.627 1.00 0.00 C ATOM 566 C PRO B 36 -12.567 29.418 -8.537 1.00 0.00 C ATOM 567 O PRO B 36 -13.267 30.381 -8.273 1.00 0.00 O ATOM 568 CB PRO B 36 -11.832 28.714 -10.840 1.00 0.00 C ATOM 569 CG PRO B 36 -11.092 27.433 -10.621 1.00 0.00 C ATOM 570 CD PRO B 36 -9.885 27.748 -9.773 1.00 0.00 C ATOM 571 OXT PRO B 36 -12.662 28.334 -7.986 1.00 0.00 O ATOM 0 HA PRO B 36 -11.468 30.642 -9.867 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -12.905 28.540 -10.919 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -11.518 29.197 -11.765 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -11.730 26.702 -10.124 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -10.789 26.997 -11.573 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -9.718 26.980 -9.018 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -8.979 27.804 -10.376 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 13.458 -17.705 -0.424 1.00 1.31 P ATOM 581 OP1 G A 1 14.359 -16.913 -1.301 1.00 1.51 O ATOM 582 OP2 G A 1 13.880 -19.052 0.037 1.00 1.52 O ATOM 583 O5' G A 1 13.114 -16.822 0.857 1.00 1.09 O ATOM 584 C5' G A 1 11.756 -16.448 1.155 1.00 1.03 C ATOM 585 C4' G A 1 11.220 -17.289 2.288 1.00 0.94 C ATOM 586 O4' G A 1 11.600 -16.670 3.537 1.00 1.02 O ATOM 587 C3' G A 1 9.705 -17.351 2.372 1.00 0.80 C ATOM 588 O3' G A 1 9.211 -18.392 1.533 1.00 0.75 O ATOM 589 C2' G A 1 9.462 -17.683 3.842 1.00 0.78 C ATOM 590 O2' G A 1 9.488 -19.074 4.103 1.00 0.77 O ATOM 591 C1' G A 1 10.644 -16.998 4.526 1.00 0.90 C ATOM 592 N9 G A 1 10.244 -15.775 5.205 1.00 0.90 N ATOM 593 C8 G A 1 10.355 -14.487 4.746 1.00 0.97 C ATOM 594 N7 G A 1 9.895 -13.605 5.591 1.00 0.99 N ATOM 595 C5 G A 1 9.453 -14.362 6.668 1.00 0.90 C ATOM 596 C6 G A 1 8.853 -13.964 7.886 1.00 0.88 C ATOM 597 O6 G A 1 8.587 -12.824 8.269 1.00 0.94 O ATOM 598 N1 G A 1 8.560 -15.056 8.699 1.00 0.82 N ATOM 599 C2 G A 1 8.815 -16.367 8.372 1.00 0.81 C ATOM 600 N2 G A 1 8.464 -17.290 9.281 1.00 0.83 N ATOM 601 N3 G A 1 9.373 -16.749 7.239 1.00 0.83 N ATOM 602 C4 G A 1 9.663 -15.702 6.442 1.00 0.86 C ATOM 0 H5' G A 1 11.133 -16.578 0.270 1.00 1.03 H new ATOM 0 H5'' G A 1 11.712 -15.393 1.424 1.00 1.03 H new ATOM 0 H4' G A 1 11.621 -18.287 2.109 1.00 0.94 H new ATOM 0 H3' G A 1 9.209 -16.436 2.050 1.00 0.80 H new ATOM 0 H2' G A 1 8.480 -17.356 4.184 1.00 0.78 H new ATOM 0 HO2' G A 1 9.411 -19.567 3.259 1.00 0.77 H new ATOM 0 H1' G A 1 11.052 -17.681 5.271 1.00 0.90 H new ATOM 0 H8 G A 1 10.778 -14.230 3.786 1.00 0.97 H new ATOM 0 H1 G A 1 8.125 -14.870 9.602 1.00 0.82 H new ATOM 0 H21 G A 1 8.629 -18.279 9.093 1.00 0.83 H new ATOM 0 H22 G A 1 8.032 -17.002 10.159 1.00 0.83 H new ATOM 614 P C A 2 8.309 -18.027 0.254 1.00 0.69 P ATOM 615 OP1 C A 2 8.320 -19.189 -0.670 1.00 0.84 O ATOM 616 OP2 C A 2 8.747 -16.696 -0.236 1.00 0.82 O ATOM 617 O5' C A 2 6.842 -17.879 0.855 1.00 0.58 O ATOM 618 C5' C A 2 6.461 -16.695 1.575 1.00 0.57 C ATOM 619 C4' C A 2 5.475 -17.040 2.663 1.00 0.55 C ATOM 620 O4' C A 2 6.094 -16.794 3.952 1.00 0.54 O ATOM 621 C3' C A 2 4.239 -16.160 2.659 1.00 0.51 C ATOM 622 O3' C A 2 3.241 -16.713 1.807 1.00 0.59 O ATOM 623 C2' C A 2 3.793 -16.181 4.115 1.00 0.53 C ATOM 624 O2' C A 2 2.950 -17.277 4.416 1.00 0.67 O ATOM 625 C1' C A 2 5.122 -16.316 4.865 1.00 0.51 C ATOM 626 N1 C A 2 5.593 -15.039 5.412 1.00 0.45 N ATOM 627 C2 C A 2 5.124 -14.643 6.662 1.00 0.44 C ATOM 628 O2 C A 2 4.341 -15.393 7.266 1.00 0.49 O ATOM 629 N3 C A 2 5.529 -13.464 7.181 1.00 0.43 N ATOM 630 C4 C A 2 6.373 -12.692 6.494 1.00 0.45 C ATOM 631 N4 C A 2 6.748 -11.534 7.041 1.00 0.49 N ATOM 632 C5 C A 2 6.872 -13.074 5.215 1.00 0.47 C ATOM 633 C6 C A 2 6.463 -14.248 4.714 1.00 0.46 C ATOM 0 H5' C A 2 6.019 -15.971 0.890 1.00 0.57 H new ATOM 0 H5'' C A 2 7.343 -16.225 2.010 1.00 0.57 H new ATOM 0 H4' C A 2 5.193 -18.078 2.488 1.00 0.55 H new ATOM 0 H3' C A 2 4.423 -15.151 2.289 1.00 0.51 H new ATOM 0 H2' C A 2 3.207 -15.300 4.378 1.00 0.53 H new ATOM 0 HO2' C A 2 2.023 -17.045 4.200 1.00 0.67 H new ATOM 0 H1' C A 2 4.969 -16.998 5.701 1.00 0.51 H new ATOM 0 H41 C A 2 7.392 -10.920 6.543 1.00 0.49 H new ATOM 0 H42 C A 2 6.390 -11.263 7.957 1.00 0.49 H new ATOM 0 H5 C A 2 7.555 -12.440 4.669 1.00 0.47 H new ATOM 0 H6 C A 2 6.824 -14.572 3.749 1.00 0.46 H new ATOM 645 P C A 3 1.785 -16.038 1.750 1.00 0.67 P ATOM 646 OP1 C A 3 0.957 -16.618 2.837 1.00 1.20 O ATOM 647 OP2 C A 3 1.312 -16.118 0.343 1.00 1.00 O ATOM 648 O5' C A 3 2.068 -14.509 2.093 1.00 0.89 O ATOM 649 C5' C A 3 0.988 -13.577 2.261 1.00 0.68 C ATOM 650 C4' C A 3 0.485 -13.612 3.682 1.00 0.61 C ATOM 651 O4' C A 3 1.625 -13.623 4.573 1.00 0.67 O ATOM 652 C3' C A 3 -0.307 -12.382 4.086 1.00 0.56 C ATOM 653 O3' C A 3 -1.687 -12.545 3.777 1.00 0.57 O ATOM 654 C2' C A 3 -0.075 -12.294 5.588 1.00 0.57 C ATOM 655 O2' C A 3 -0.993 -13.075 6.329 1.00 0.64 O ATOM 656 C1' C A 3 1.336 -12.866 5.734 1.00 0.62 C ATOM 657 N1 C A 3 2.349 -11.807 5.829 1.00 0.61 N ATOM 658 C2 C A 3 2.433 -11.048 6.997 1.00 0.56 C ATOM 659 O2 C A 3 1.656 -11.296 7.931 1.00 0.55 O ATOM 660 N3 C A 3 3.358 -10.063 7.080 1.00 0.58 N ATOM 661 C4 C A 3 4.176 -9.830 6.051 1.00 0.65 C ATOM 662 N4 C A 3 5.072 -8.849 6.175 1.00 0.71 N ATOM 663 C5 C A 3 4.111 -10.591 4.849 1.00 0.71 C ATOM 664 C6 C A 3 3.193 -11.562 4.781 1.00 0.68 C ATOM 0 H5' C A 3 0.177 -13.821 1.575 1.00 0.68 H new ATOM 0 H5'' C A 3 1.324 -12.571 2.011 1.00 0.68 H new ATOM 0 H4' C A 3 -0.154 -14.493 3.746 1.00 0.61 H new ATOM 0 H3' C A 3 0.001 -11.478 3.561 1.00 0.56 H new ATOM 0 H2' C A 3 -0.200 -11.280 5.967 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.738 -13.341 5.750 1.00 0.64 H new ATOM 0 H1' C A 3 1.367 -13.465 6.644 1.00 0.62 H new ATOM 0 H41 C A 3 5.713 -8.644 5.408 1.00 0.71 H new ATOM 0 H42 C A 3 5.116 -8.305 7.036 1.00 0.71 H new ATOM 0 H5 C A 3 4.778 -10.392 4.023 1.00 0.71 H new ATOM 0 H6 C A 3 3.117 -12.161 3.886 1.00 0.68 H new ATOM 676 P C A 4 -2.504 -11.321 3.135 1.00 0.57 P ATOM 677 OP1 C A 4 -3.847 -11.815 2.737 1.00 0.73 O ATOM 678 OP2 C A 4 -1.627 -10.685 2.121 1.00 0.60 O ATOM 679 O5' C A 4 -2.683 -10.302 4.346 1.00 0.61 O ATOM 680 C5' C A 4 -3.718 -10.502 5.325 1.00 0.51 C ATOM 681 C4' C A 4 -3.477 -9.625 6.533 1.00 0.47 C ATOM 682 O4' C A 4 -2.110 -9.785 6.976 1.00 0.55 O ATOM 683 C3' C A 4 -3.594 -8.134 6.280 1.00 0.45 C ATOM 684 O3' C A 4 -4.962 -7.741 6.369 1.00 0.51 O ATOM 685 C2' C A 4 -2.772 -7.540 7.421 1.00 0.47 C ATOM 686 O2' C A 4 -3.527 -7.356 8.603 1.00 0.57 O ATOM 687 C1' C A 4 -1.696 -8.607 7.644 1.00 0.48 C ATOM 688 N1 C A 4 -0.387 -8.215 7.106 1.00 0.43 N ATOM 689 C2 C A 4 0.340 -7.220 7.762 1.00 0.39 C ATOM 690 O2 C A 4 -0.146 -6.686 8.771 1.00 0.43 O ATOM 691 N3 C A 4 1.550 -6.867 7.281 1.00 0.38 N ATOM 692 C4 C A 4 2.034 -7.466 6.192 1.00 0.45 C ATOM 693 N4 C A 4 3.228 -7.093 5.752 1.00 0.51 N ATOM 694 C5 C A 4 1.312 -8.478 5.506 1.00 0.51 C ATOM 695 C6 C A 4 0.118 -8.818 5.990 1.00 0.48 C ATOM 0 H5' C A 4 -3.744 -11.549 5.627 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.690 -10.272 4.888 1.00 0.51 H new ATOM 0 H4' C A 4 -4.241 -9.940 7.244 1.00 0.47 H new ATOM 0 H3' C A 4 -3.248 -7.814 5.297 1.00 0.45 H new ATOM 0 H2' C A 4 -2.389 -6.549 7.179 1.00 0.47 H new ATOM 0 HO2' C A 4 -2.954 -6.975 9.301 1.00 0.57 H new ATOM 0 H1' C A 4 -1.583 -8.751 8.719 1.00 0.48 H new ATOM 0 H41 C A 4 3.626 -7.532 4.922 1.00 0.51 H new ATOM 0 H42 C A 4 3.749 -6.367 6.244 1.00 0.51 H new ATOM 0 H5 C A 4 1.716 -8.954 4.625 1.00 0.51 H new ATOM 0 H6 C A 4 -0.459 -9.583 5.492 1.00 0.48 H new ATOM 707 P U A 5 -5.482 -6.458 5.556 1.00 0.57 P ATOM 708 OP1 U A 5 -6.959 -6.391 5.698 1.00 0.77 O ATOM 709 OP2 U A 5 -4.883 -6.518 4.207 1.00 0.62 O ATOM 710 O5' U A 5 -4.856 -5.230 6.353 1.00 0.49 O ATOM 711 C5' U A 5 -5.270 -4.967 7.701 1.00 0.45 C ATOM 712 C4' U A 5 -4.454 -3.853 8.307 1.00 0.41 C ATOM 713 O4' U A 5 -3.110 -4.322 8.562 1.00 0.47 O ATOM 714 C3' U A 5 -4.241 -2.641 7.421 1.00 0.35 C ATOM 715 O3' U A 5 -5.376 -1.774 7.490 1.00 0.36 O ATOM 716 C2' U A 5 -3.003 -2.000 8.039 1.00 0.41 C ATOM 717 O2' U A 5 -3.314 -1.114 9.098 1.00 0.50 O ATOM 718 C1' U A 5 -2.237 -3.210 8.574 1.00 0.43 C ATOM 719 N1 U A 5 -1.048 -3.518 7.770 1.00 0.43 N ATOM 720 C2 U A 5 0.044 -2.706 7.961 1.00 0.40 C ATOM 721 O2 U A 5 0.040 -1.779 8.756 1.00 0.39 O ATOM 722 N3 U A 5 1.137 -3.014 7.196 1.00 0.43 N ATOM 723 C4 U A 5 1.247 -4.025 6.274 1.00 0.50 C ATOM 724 O4 U A 5 2.306 -4.166 5.659 1.00 0.54 O ATOM 725 C5 U A 5 0.072 -4.828 6.129 1.00 0.55 C ATOM 726 C6 U A 5 -1.016 -4.555 6.865 1.00 0.51 C ATOM 0 H5' U A 5 -5.162 -5.870 8.302 1.00 0.45 H new ATOM 0 H5'' U A 5 -6.326 -4.699 7.715 1.00 0.45 H new ATOM 0 H4' U A 5 -5.029 -3.566 9.188 1.00 0.41 H new ATOM 0 H3' U A 5 -4.116 -2.873 6.363 1.00 0.35 H new ATOM 0 H2' U A 5 -2.453 -1.392 7.320 1.00 0.41 H new ATOM 0 HO2' U A 5 -4.281 -1.119 9.255 1.00 0.50 H new ATOM 0 H1' U A 5 -1.893 -2.982 9.583 1.00 0.43 H new ATOM 0 H3 U A 5 1.961 -2.427 7.326 1.00 0.43 H new ATOM 0 H5 U A 5 0.061 -5.651 5.430 1.00 0.55 H new ATOM 0 H6 U A 5 -1.896 -5.169 6.743 1.00 0.51 H new ATOM 737 P G A 6 -5.189 -0.180 7.359 1.00 0.43 P ATOM 738 OP1 G A 6 -5.185 0.401 8.726 1.00 0.65 O ATOM 739 OP2 G A 6 -6.179 0.300 6.363 1.00 0.54 O ATOM 740 O5' G A 6 -3.736 0.011 6.733 1.00 0.43 O ATOM 741 C5' G A 6 -2.769 0.881 7.361 1.00 0.47 C ATOM 742 C4' G A 6 -1.945 1.593 6.312 1.00 0.47 C ATOM 743 O4' G A 6 -0.615 1.020 6.294 1.00 0.53 O ATOM 744 C3' G A 6 -2.423 1.399 4.885 1.00 0.39 C ATOM 745 O3' G A 6 -3.450 2.334 4.571 1.00 0.41 O ATOM 746 C2' G A 6 -1.163 1.675 4.071 1.00 0.48 C ATOM 747 O2' G A 6 -0.990 3.049 3.777 1.00 0.59 O ATOM 748 C1' G A 6 -0.051 1.193 5.006 1.00 0.49 C ATOM 749 N9 G A 6 0.515 -0.082 4.579 1.00 0.50 N ATOM 750 C8 G A 6 -0.098 -1.309 4.613 1.00 0.60 C ATOM 751 N7 G A 6 0.655 -2.271 4.153 1.00 0.63 N ATOM 752 C5 G A 6 1.839 -1.640 3.794 1.00 0.54 C ATOM 753 C6 G A 6 3.031 -2.169 3.230 1.00 0.55 C ATOM 754 O6 G A 6 3.284 -3.342 2.930 1.00 0.61 O ATOM 755 N1 G A 6 3.988 -1.179 3.019 1.00 0.55 N ATOM 756 C2 G A 6 3.814 0.152 3.314 1.00 0.57 C ATOM 757 N2 G A 6 4.853 0.965 3.043 1.00 0.70 N ATOM 758 N3 G A 6 2.708 0.658 3.839 1.00 0.53 N ATOM 759 C4 G A 6 1.770 -0.288 4.051 1.00 0.49 C ATOM 0 H5' G A 6 -2.117 0.300 8.013 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.280 1.611 7.989 1.00 0.47 H new ATOM 0 H4' G A 6 -2.007 2.646 6.586 1.00 0.47 H new ATOM 0 H3' G A 6 -2.851 0.415 4.695 1.00 0.39 H new ATOM 0 H2' G A 6 -1.186 1.182 3.099 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.224 3.161 3.177 1.00 0.59 H new ATOM 0 H1' G A 6 0.749 1.933 5.000 1.00 0.49 H new ATOM 0 H8 G A 6 -1.101 -1.463 4.983 1.00 0.60 H new ATOM 0 H1 G A 6 4.882 -1.462 2.617 1.00 0.55 H new ATOM 0 H21 G A 6 4.784 1.963 3.240 1.00 0.70 H new ATOM 0 H22 G A 6 5.709 0.582 2.641 1.00 0.70 H new ATOM 771 P A A 7 -4.269 2.186 3.197 1.00 0.43 P ATOM 772 OP1 A A 7 -4.657 3.543 2.736 1.00 0.66 O ATOM 773 OP2 A A 7 -5.318 1.156 3.414 1.00 0.74 O ATOM 774 O5' A A 7 -3.201 1.596 2.172 1.00 0.33 O ATOM 775 C5' A A 7 -3.548 1.369 0.795 1.00 0.29 C ATOM 776 C4' A A 7 -2.505 1.970 -0.113 1.00 0.23 C ATOM 777 O4' A A 7 -2.522 3.406 0.037 1.00 0.23 O ATOM 778 C3' A A 7 -1.071 1.607 0.221 1.00 0.25 C ATOM 779 O3' A A 7 -0.729 0.349 -0.351 1.00 0.27 O ATOM 780 C2' A A 7 -0.281 2.743 -0.422 1.00 0.24 C ATOM 781 O2' A A 7 0.016 2.508 -1.784 1.00 0.25 O ATOM 782 C1' A A 7 -1.248 3.920 -0.298 1.00 0.21 C ATOM 783 N9 A A 7 -0.848 4.872 0.739 1.00 0.24 N ATOM 784 C8 A A 7 -1.441 5.094 1.956 1.00 0.29 C ATOM 785 N7 A A 7 -0.844 6.014 2.675 1.00 0.33 N ATOM 786 C5 A A 7 0.212 6.428 1.876 1.00 0.30 C ATOM 787 C6 A A 7 1.223 7.385 2.065 1.00 0.34 C ATOM 788 N6 A A 7 1.340 8.132 3.166 1.00 0.39 N ATOM 789 N1 A A 7 2.124 7.552 1.071 1.00 0.35 N ATOM 790 C2 A A 7 2.006 6.803 -0.032 1.00 0.32 C ATOM 791 N3 A A 7 1.101 5.873 -0.326 1.00 0.27 N ATOM 792 C4 A A 7 0.222 5.732 0.681 1.00 0.25 C ATOM 0 H5' A A 7 -4.523 1.808 0.581 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.632 0.299 0.606 1.00 0.29 H new ATOM 0 H4' A A 7 -2.763 1.590 -1.101 1.00 0.23 H new ATOM 0 H3' A A 7 -0.879 1.504 1.289 1.00 0.25 H new ATOM 0 H2' A A 7 0.689 2.888 0.053 1.00 0.24 H new ATOM 0 HO2' A A 7 0.521 3.267 -2.144 1.00 0.25 H new ATOM 0 H1' A A 7 -1.254 4.452 -1.249 1.00 0.21 H new ATOM 0 H8 A A 7 -2.318 4.561 2.291 1.00 0.29 H new ATOM 0 H61 A A 7 2.097 8.811 3.244 1.00 0.39 H new ATOM 0 H62 A A 7 0.672 8.023 3.929 1.00 0.39 H new ATOM 0 H2 A A 7 2.752 6.979 -0.792 1.00 0.32 H new ATOM 804 P A A 8 0.187 -0.679 0.476 1.00 0.37 P ATOM 805 OP1 A A 8 -0.039 -2.045 -0.065 1.00 0.44 O ATOM 806 OP2 A A 8 -0.040 -0.415 1.920 1.00 0.47 O ATOM 807 O5' A A 8 1.673 -0.237 0.116 1.00 0.38 O ATOM 808 C5' A A 8 2.011 0.196 -1.213 1.00 0.39 C ATOM 809 C4' A A 8 3.064 1.277 -1.156 1.00 0.43 C ATOM 810 O4' A A 8 2.471 2.465 -0.575 1.00 0.37 O ATOM 811 C3' A A 8 4.237 0.956 -0.243 1.00 0.53 C ATOM 812 O3' A A 8 5.268 0.247 -0.933 1.00 0.66 O ATOM 813 C2' A A 8 4.728 2.333 0.188 1.00 0.50 C ATOM 814 O2' A A 8 5.638 2.903 -0.731 1.00 0.58 O ATOM 815 C1' A A 8 3.433 3.149 0.206 1.00 0.38 C ATOM 816 N9 A A 8 2.886 3.308 1.552 1.00 0.36 N ATOM 817 C8 A A 8 1.858 2.603 2.126 1.00 0.42 C ATOM 818 N7 A A 8 1.579 2.981 3.350 1.00 0.47 N ATOM 819 C5 A A 8 2.488 4.000 3.600 1.00 0.41 C ATOM 820 C6 A A 8 2.711 4.812 4.724 1.00 0.44 C ATOM 821 N6 A A 8 2.005 4.723 5.854 1.00 0.54 N ATOM 822 N1 A A 8 3.698 5.731 4.649 1.00 0.40 N ATOM 823 C2 A A 8 4.405 5.820 3.516 1.00 0.36 C ATOM 824 N3 A A 8 4.289 5.115 2.392 1.00 0.35 N ATOM 825 C4 A A 8 3.300 4.210 2.501 1.00 0.35 C ATOM 0 H5' A A 8 1.121 0.571 -1.719 1.00 0.39 H new ATOM 0 H5'' A A 8 2.377 -0.649 -1.797 1.00 0.39 H new ATOM 0 H4' A A 8 3.420 1.391 -2.180 1.00 0.43 H new ATOM 0 H3' A A 8 3.954 0.313 0.590 1.00 0.53 H new ATOM 0 H2' A A 8 5.267 2.299 1.135 1.00 0.50 H new ATOM 0 HO2' A A 8 5.266 2.850 -1.636 1.00 0.58 H new ATOM 0 H1' A A 8 3.660 4.141 -0.185 1.00 0.38 H new ATOM 0 H8 A A 8 1.328 1.811 1.617 1.00 0.42 H new ATOM 0 H61 A A 8 2.215 5.342 6.637 1.00 0.54 H new ATOM 0 H62 A A 8 1.255 4.036 5.934 1.00 0.54 H new ATOM 0 H2 A A 8 5.181 6.571 3.513 1.00 0.36 H new ATOM 837 P A A 9 5.313 0.247 -2.541 1.00 1.47 P ATOM 838 OP1 A A 9 5.367 1.656 -3.008 1.00 2.35 O ATOM 839 OP2 A A 9 4.224 -0.642 -3.019 1.00 2.33 O ATOM 840 O5' A A 9 6.705 -0.444 -2.886 1.00 1.08 O ATOM 841 C5' A A 9 7.812 -0.362 -1.972 1.00 1.04 C ATOM 842 C4' A A 9 8.653 0.851 -2.281 1.00 1.09 C ATOM 843 O4' A A 9 8.165 1.451 -3.506 1.00 1.26 O ATOM 844 C3' A A 9 8.539 1.966 -1.260 1.00 0.99 C ATOM 845 O3' A A 9 9.450 1.763 -0.187 1.00 1.17 O ATOM 846 C2' A A 9 8.910 3.200 -2.071 1.00 1.26 C ATOM 847 O2' A A 9 10.308 3.399 -2.154 1.00 1.57 O ATOM 848 C1' A A 9 8.350 2.854 -3.454 1.00 1.29 C ATOM 849 N9 A A 9 7.052 3.480 -3.707 1.00 0.00 N ATOM 850 C8 A A 9 6.350 4.320 -2.881 1.00 0.00 C ATOM 851 N7 A A 9 5.210 4.725 -3.384 1.00 0.00 N ATOM 852 C5 A A 9 5.156 4.106 -4.625 1.00 0.00 C ATOM 853 C6 A A 9 4.196 4.125 -5.650 1.00 0.00 C ATOM 854 N6 A A 9 3.060 4.822 -5.587 1.00 0.00 N ATOM 855 N1 A A 9 4.446 3.393 -6.757 1.00 0.00 N ATOM 856 C2 A A 9 5.586 2.693 -6.817 1.00 0.00 C ATOM 857 N3 A A 9 6.564 2.597 -5.923 1.00 0.00 N ATOM 858 C4 A A 9 6.285 3.336 -4.836 1.00 0.00 C ATOM 0 H5' A A 9 8.420 -1.264 -2.044 1.00 1.04 H new ATOM 0 H5'' A A 9 7.444 -0.307 -0.947 1.00 1.04 H new ATOM 0 H4' A A 9 9.679 0.486 -2.316 1.00 1.09 H new ATOM 0 H3' A A 9 7.555 2.035 -0.797 1.00 0.99 H new ATOM 0 H2' A A 9 8.521 4.118 -1.631 1.00 1.26 H new ATOM 0 HO2' A A 9 10.757 2.848 -1.479 1.00 1.57 H new ATOM 0 H1' A A 9 9.054 3.218 -4.202 1.00 1.29 H new ATOM 0 H8 A A 9 6.704 4.620 -1.906 1.00 0.00 H new ATOM 0 H61 A A 9 2.401 4.795 -6.365 1.00 0.00 H new ATOM 0 H62 A A 9 2.850 5.382 -4.760 1.00 0.00 H new ATOM 0 H2 A A 9 5.731 2.124 -7.723 1.00 0.00 H new ATOM 870 P A A 10 8.985 0.928 1.106 1.00 1.33 P ATOM 871 OP1 A A 10 9.450 -0.472 0.945 1.00 2.11 O ATOM 872 OP2 A A 10 7.534 1.201 1.342 1.00 2.10 O ATOM 873 O5' A A 10 9.811 1.592 2.295 1.00 0.79 O ATOM 874 C5' A A 10 9.303 1.572 3.635 1.00 0.59 C ATOM 875 C4' A A 10 9.382 2.950 4.249 1.00 0.54 C ATOM 876 O4' A A 10 8.131 3.631 4.004 1.00 0.50 O ATOM 877 C3' A A 10 9.527 2.933 5.758 1.00 0.50 C ATOM 878 O3' A A 10 10.902 2.881 6.130 1.00 0.61 O ATOM 879 C2' A A 10 8.861 4.231 6.195 1.00 0.50 C ATOM 880 O2' A A 10 9.746 5.333 6.173 1.00 0.61 O ATOM 881 C1' A A 10 7.774 4.411 5.132 1.00 0.48 C ATOM 882 N9 A A 10 6.477 3.913 5.575 1.00 0.45 N ATOM 883 C8 A A 10 5.732 2.938 4.968 1.00 0.45 C ATOM 884 N7 A A 10 4.604 2.674 5.578 1.00 0.51 N ATOM 885 C5 A A 10 4.608 3.536 6.667 1.00 0.54 C ATOM 886 C6 A A 10 3.691 3.748 7.710 1.00 0.64 C ATOM 887 N6 A A 10 2.541 3.080 7.833 1.00 0.72 N ATOM 888 N1 A A 10 4.000 4.681 8.637 1.00 0.69 N ATOM 889 C2 A A 10 5.153 5.348 8.514 1.00 0.66 C ATOM 890 N3 A A 10 6.095 5.240 7.580 1.00 0.58 N ATOM 891 C4 A A 10 5.757 4.307 6.676 1.00 0.51 C ATOM 0 H5' A A 10 9.875 0.866 4.237 1.00 0.59 H new ATOM 0 H5'' A A 10 8.269 1.226 3.634 1.00 0.59 H new ATOM 0 H4' A A 10 10.254 3.430 3.804 1.00 0.54 H new ATOM 0 H3' A A 10 9.072 2.062 6.229 1.00 0.50 H new ATOM 0 H2' A A 10 8.497 4.185 7.221 1.00 0.50 H new ATOM 0 HO2' A A 10 10.671 5.010 6.162 1.00 0.61 H new ATOM 0 H1' A A 10 7.697 5.477 4.919 1.00 0.48 H new ATOM 0 H8 A A 10 6.046 2.432 4.067 1.00 0.45 H new ATOM 0 H61 A A 10 1.916 3.280 8.614 1.00 0.72 H new ATOM 0 H62 A A 10 2.288 2.370 7.146 1.00 0.72 H new ATOM 0 H2 A A 10 5.348 6.080 9.284 1.00 0.66 H new ATOM 903 P A A 11 11.316 2.259 7.553 1.00 0.62 P ATOM 904 OP1 A A 11 12.366 3.124 8.151 1.00 0.77 O ATOM 905 OP2 A A 11 11.585 0.814 7.346 1.00 0.65 O ATOM 906 O5' A A 11 9.995 2.395 8.433 1.00 0.58 O ATOM 907 C5' A A 11 9.789 3.539 9.284 1.00 0.56 C ATOM 908 C4' A A 11 8.418 3.477 9.919 1.00 0.49 C ATOM 909 O4' A A 11 7.437 3.248 8.878 1.00 0.46 O ATOM 910 C3' A A 11 8.219 2.323 10.887 1.00 0.47 C ATOM 911 O3' A A 11 8.669 2.709 12.191 1.00 0.51 O ATOM 912 C2' A A 11 6.713 2.097 10.832 1.00 0.43 C ATOM 913 O2' A A 11 5.996 2.949 11.705 1.00 0.47 O ATOM 914 C1' A A 11 6.375 2.462 9.386 1.00 0.42 C ATOM 915 N9 A A 11 6.229 1.303 8.505 1.00 0.41 N ATOM 916 C8 A A 11 7.158 0.784 7.638 1.00 0.46 C ATOM 917 N7 A A 11 6.725 -0.248 6.955 1.00 0.47 N ATOM 918 C5 A A 11 5.425 -0.425 7.404 1.00 0.42 C ATOM 919 C6 A A 11 4.421 -1.357 7.074 1.00 0.43 C ATOM 920 N6 A A 11 4.566 -2.337 6.170 1.00 0.49 N ATOM 921 N1 A A 11 3.239 -1.251 7.714 1.00 0.40 N ATOM 922 C2 A A 11 3.079 -0.280 8.620 1.00 0.37 C ATOM 923 N3 A A 11 3.940 0.651 9.016 1.00 0.37 N ATOM 924 C4 A A 11 5.107 0.523 8.363 1.00 0.39 C ATOM 0 H5' A A 11 9.888 4.456 8.703 1.00 0.56 H new ATOM 0 H5'' A A 11 10.556 3.568 10.058 1.00 0.56 H new ATOM 0 H4' A A 11 8.312 4.419 10.458 1.00 0.49 H new ATOM 0 H3' A A 11 8.777 1.419 10.644 1.00 0.47 H new ATOM 0 H2' A A 11 6.446 1.084 11.132 1.00 0.43 H new ATOM 0 HO2' A A 11 5.779 2.465 12.529 1.00 0.47 H new ATOM 0 H1' A A 11 5.418 2.984 9.403 1.00 0.42 H new ATOM 0 H8 A A 11 8.153 1.188 7.529 1.00 0.46 H new ATOM 0 H61 A A 11 3.794 -2.976 5.983 1.00 0.49 H new ATOM 0 H62 A A 11 5.449 -2.443 5.670 1.00 0.49 H new ATOM 0 H2 A A 11 2.111 -0.248 9.098 1.00 0.37 H new ATOM 936 P G A 12 8.034 2.032 13.509 1.00 0.56 P ATOM 937 OP1 G A 12 6.589 1.797 13.283 1.00 0.65 O ATOM 938 OP2 G A 12 8.461 2.865 14.661 1.00 0.68 O ATOM 939 O5' G A 12 8.788 0.631 13.648 1.00 0.50 O ATOM 940 C5' G A 12 8.290 -0.570 13.017 1.00 0.47 C ATOM 941 C4' G A 12 6.785 -0.630 13.099 1.00 0.42 C ATOM 942 O4' G A 12 6.270 -0.398 11.769 1.00 0.40 O ATOM 943 C3' G A 12 6.206 -1.975 13.498 1.00 0.39 C ATOM 944 O3' G A 12 6.104 -2.079 14.916 1.00 0.43 O ATOM 945 C2' G A 12 4.828 -1.958 12.844 1.00 0.35 C ATOM 946 O2' G A 12 3.852 -1.320 13.646 1.00 0.37 O ATOM 947 C1' G A 12 5.081 -1.137 11.577 1.00 0.35 C ATOM 948 N9 G A 12 5.277 -1.983 10.409 1.00 0.33 N ATOM 949 C8 G A 12 6.370 -1.999 9.579 1.00 0.36 C ATOM 950 N7 G A 12 6.263 -2.865 8.608 1.00 0.36 N ATOM 951 C5 G A 12 5.026 -3.459 8.813 1.00 0.33 C ATOM 952 C6 G A 12 4.363 -4.471 8.079 1.00 0.36 C ATOM 953 O6 G A 12 4.751 -5.067 7.069 1.00 0.40 O ATOM 954 N1 G A 12 3.121 -4.778 8.630 1.00 0.36 N ATOM 955 C2 G A 12 2.593 -4.185 9.750 1.00 0.34 C ATOM 956 N2 G A 12 1.381 -4.619 10.130 1.00 0.37 N ATOM 957 N3 G A 12 3.202 -3.237 10.443 1.00 0.31 N ATOM 958 C4 G A 12 4.405 -2.925 9.922 1.00 0.31 C ATOM 0 H5' G A 12 8.721 -1.447 13.501 1.00 0.47 H new ATOM 0 H5'' G A 12 8.604 -0.595 11.973 1.00 0.47 H new ATOM 0 H4' G A 12 6.508 0.101 13.858 1.00 0.42 H new ATOM 0 H3' G A 12 6.816 -2.823 13.186 1.00 0.39 H new ATOM 0 H2' G A 12 4.438 -2.961 12.672 1.00 0.35 H new ATOM 0 HO2' G A 12 4.132 -1.346 14.585 1.00 0.37 H new ATOM 0 H1' G A 12 4.213 -0.501 11.405 1.00 0.35 H new ATOM 0 H8 G A 12 7.230 -1.361 9.715 1.00 0.36 H new ATOM 0 H1 G A 12 2.563 -5.496 8.168 1.00 0.36 H new ATOM 0 H21 G A 12 0.932 -4.220 10.954 1.00 0.37 H new ATOM 0 H22 G A 12 0.909 -5.348 9.595 1.00 0.37 H new ATOM 970 P G A 13 6.989 -3.166 15.700 1.00 0.51 P ATOM 971 OP1 G A 13 7.272 -2.643 17.061 1.00 0.57 O ATOM 972 OP2 G A 13 8.116 -3.547 14.812 1.00 0.59 O ATOM 973 O5' G A 13 6.021 -4.424 15.840 1.00 0.57 O ATOM 974 C5' G A 13 4.790 -4.331 16.581 1.00 0.62 C ATOM 975 C4' G A 13 3.830 -5.401 16.132 1.00 0.60 C ATOM 976 O4' G A 13 3.400 -5.087 14.785 1.00 0.59 O ATOM 977 C3' G A 13 4.451 -6.777 15.999 1.00 0.59 C ATOM 978 O3' G A 13 4.466 -7.464 17.258 1.00 0.66 O ATOM 979 C2' G A 13 3.549 -7.456 14.974 1.00 0.57 C ATOM 980 O2' G A 13 2.408 -8.080 15.524 1.00 0.63 O ATOM 981 C1' G A 13 3.113 -6.286 14.092 1.00 0.54 C ATOM 982 N9 G A 13 3.824 -6.270 12.821 1.00 0.50 N ATOM 983 C8 G A 13 4.853 -5.442 12.443 1.00 0.54 C ATOM 984 N7 G A 13 5.293 -5.690 11.240 1.00 0.56 N ATOM 985 C5 G A 13 4.506 -6.745 10.797 1.00 0.50 C ATOM 986 C6 G A 13 4.516 -7.447 9.565 1.00 0.53 C ATOM 987 O6 G A 13 5.250 -7.270 8.586 1.00 0.60 O ATOM 988 N1 G A 13 3.547 -8.448 9.533 1.00 0.51 N ATOM 989 C2 G A 13 2.682 -8.732 10.562 1.00 0.48 C ATOM 990 N2 G A 13 1.817 -9.733 10.347 1.00 0.52 N ATOM 991 N3 G A 13 2.662 -8.085 11.714 1.00 0.47 N ATOM 992 C4 G A 13 3.595 -7.112 11.761 1.00 0.47 C ATOM 0 H5' G A 13 4.343 -3.347 16.436 1.00 0.62 H new ATOM 0 H5'' G A 13 4.990 -4.436 17.647 1.00 0.62 H new ATOM 0 H4' G A 13 3.043 -5.421 16.886 1.00 0.60 H new ATOM 0 H3' G A 13 5.496 -6.760 15.690 1.00 0.59 H new ATOM 0 H2' G A 13 4.076 -8.263 14.465 1.00 0.57 H new ATOM 0 HO2' G A 13 1.903 -7.429 16.055 1.00 0.63 H new ATOM 0 H1' G A 13 2.049 -6.388 13.880 1.00 0.54 H new ATOM 0 H8 G A 13 5.256 -4.666 13.076 1.00 0.54 H new ATOM 0 H1 G A 13 3.475 -9.010 8.685 1.00 0.51 H new ATOM 0 H21 G A 13 1.148 -9.994 11.072 1.00 0.52 H new ATOM 0 H22 G A 13 1.828 -10.234 9.459 1.00 0.52 H new ATOM 1004 P G A 14 3.096 -8.005 17.908 1.00 0.74 P ATOM 1005 OP1 G A 14 1.977 -7.135 17.463 1.00 0.90 O ATOM 1006 OP2 G A 14 3.345 -8.190 19.360 1.00 0.80 O ATOM 1007 O5' G A 14 2.910 -9.451 17.263 1.00 0.68 O ATOM 1008 C5' G A 14 1.602 -10.041 17.126 1.00 0.70 C ATOM 1009 C4' G A 14 1.707 -11.404 16.477 1.00 0.68 C ATOM 1010 O4' G A 14 1.515 -11.263 15.046 1.00 0.67 O ATOM 1011 C3' G A 14 3.067 -12.063 16.581 1.00 0.67 C ATOM 1012 O3' G A 14 3.218 -12.727 17.831 1.00 0.77 O ATOM 1013 C2' G A 14 3.034 -13.053 15.423 1.00 0.67 C ATOM 1014 O2' G A 14 2.367 -14.256 15.750 1.00 0.80 O ATOM 1015 C1' G A 14 2.230 -12.286 14.372 1.00 0.61 C ATOM 1016 N9 G A 14 3.102 -11.663 13.381 1.00 0.50 N ATOM 1017 C8 G A 14 3.745 -10.456 13.491 1.00 0.50 C ATOM 1018 N7 G A 14 4.491 -10.177 12.456 1.00 0.47 N ATOM 1019 C5 G A 14 4.326 -11.266 11.611 1.00 0.41 C ATOM 1020 C6 G A 14 4.890 -11.532 10.333 1.00 0.40 C ATOM 1021 O6 G A 14 5.673 -10.832 9.677 1.00 0.45 O ATOM 1022 N1 G A 14 4.456 -12.755 9.824 1.00 0.41 N ATOM 1023 C2 G A 14 3.590 -13.607 10.469 1.00 0.46 C ATOM 1024 N2 G A 14 3.286 -14.740 9.821 1.00 0.55 N ATOM 1025 N3 G A 14 3.060 -13.370 11.657 1.00 0.49 N ATOM 1026 C4 G A 14 3.469 -12.189 12.165 1.00 0.44 C ATOM 0 H5' G A 14 0.964 -9.393 16.525 1.00 0.70 H new ATOM 0 H5'' G A 14 1.132 -10.132 18.105 1.00 0.70 H new ATOM 0 H4' G A 14 0.963 -12.006 16.999 1.00 0.68 H new ATOM 0 H3' G A 14 3.902 -11.364 16.530 1.00 0.67 H new ATOM 0 H2' G A 14 4.032 -13.360 15.112 1.00 0.67 H new ATOM 0 HO2' G A 14 2.373 -14.855 14.974 1.00 0.80 H new ATOM 0 H1' G A 14 1.567 -12.979 13.854 1.00 0.61 H new ATOM 0 H8 G A 14 3.645 -9.804 14.346 1.00 0.50 H new ATOM 0 H1 G A 14 4.805 -13.038 8.908 1.00 0.41 H new ATOM 0 H21 G A 14 2.649 -15.415 10.245 1.00 0.55 H new ATOM 0 H22 G A 14 3.691 -14.928 8.904 1.00 0.55 H new ATOM 1038 P C A 15 4.691 -13.024 18.396 1.00 0.87 P ATOM 1039 OP1 C A 15 4.564 -13.567 19.773 1.00 1.02 O ATOM 1040 OP2 C A 15 5.512 -11.810 18.160 1.00 0.91 O ATOM 1041 O5' C A 15 5.231 -14.183 17.447 1.00 0.85 O ATOM 1042 C5' C A 15 4.571 -15.459 17.404 1.00 0.94 C ATOM 1043 C4' C A 15 5.304 -16.396 16.474 1.00 0.97 C ATOM 1044 O4' C A 15 4.998 -16.051 15.103 1.00 0.84 O ATOM 1045 C3' C A 15 6.813 -16.272 16.535 1.00 1.09 C ATOM 1046 O3' C A 15 7.346 -17.056 17.609 1.00 1.31 O ATOM 1047 C2' C A 15 7.247 -16.832 15.185 1.00 1.09 C ATOM 1048 O2' C A 15 7.413 -18.237 15.199 1.00 1.30 O ATOM 1049 C1' C A 15 6.076 -16.449 14.276 1.00 0.89 C ATOM 1050 N1 C A 15 6.406 -15.341 13.370 1.00 0.75 N ATOM 1051 C2 C A 15 7.001 -15.638 12.143 1.00 0.77 C ATOM 1052 O2 C A 15 7.227 -16.821 11.855 1.00 0.89 O ATOM 1053 N3 C A 15 7.314 -14.635 11.302 1.00 0.70 N ATOM 1054 C4 C A 15 7.057 -13.376 11.642 1.00 0.66 C ATOM 1055 N4 C A 15 7.388 -12.429 10.774 1.00 0.71 N ATOM 1056 C5 C A 15 6.451 -13.039 12.887 1.00 0.64 C ATOM 1057 C6 C A 15 6.143 -14.045 13.716 1.00 0.66 C ATOM 0 H5' C A 15 3.542 -15.333 17.068 1.00 0.94 H new ATOM 0 H5'' C A 15 4.529 -15.888 18.405 1.00 0.94 H new ATOM 0 H4' C A 15 4.988 -17.392 16.783 1.00 0.97 H new ATOM 0 H3' C A 15 7.159 -15.254 16.715 1.00 1.09 H new ATOM 0 H2' C A 15 8.215 -16.442 14.872 1.00 1.09 H new ATOM 0 HO2' C A 15 7.447 -18.553 16.126 1.00 1.30 H new ATOM 0 HO3' C A 15 8.321 -16.963 17.629 1.00 1.31 H new ATOM 0 H1' C A 15 5.825 -17.312 13.659 1.00 0.89 H new ATOM 0 H41 C A 15 7.208 -11.449 10.995 1.00 0.71 H new ATOM 0 H42 C A 15 7.822 -12.680 9.886 1.00 0.71 H new ATOM 0 H5 C A 15 6.248 -12.012 13.152 1.00 0.64 H new ATOM 0 H6 C A 15 5.682 -13.830 14.668 1.00 0.66 H new TER 1069 C A 15