USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=20 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 51:sc= -5.38! USER MOD Single : A 2 C O2' : rot -93:sc= 0.498 USER MOD Single : A 3 C O2' : rot 47:sc= -5.8! USER MOD Single : A 4 C O2' : rot 4:sc= -1.18 USER MOD Single : A 5 U O2' : rot 8:sc= -3.94! USER MOD Single : A 6 G O2' : rot -109:sc= 0.513 USER MOD Single : A 7 A O2' : rot -118:sc= -3.42! USER MOD Single : A 8 A O2' : rot 50:sc= -2.34! USER MOD Single : A 9 A O2' : rot -18:sc= 0.129 USER MOD Single : A 10 A O2' : rot -24:sc= 0.144 USER MOD Single : A 11 A O2' : rot -87:sc= -0.895! USER MOD Single : A 12 G O2' : rot -14:sc= 0.141 USER MOD Single : A 13 G O2' : rot 59:sc= -6.61! USER MOD Single : A 14 G O2' : rot -170:sc= -2.92! USER MOD Single : A 15 C O2' : rot -16:sc= 0.156 USER MOD Single : A 15 C O3' : rot 180:sc= 0.173 USER MOD Single : B 4 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.16) 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 :FLIP amide:sc= -2.93! C(o=-4.3!,f=-2.9!) USER MOD Single : B 17 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.27) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= -0.029 (180deg=-0.029) USER MOD Single : B 22 ASN : amide:sc= -5.81! C(o=-5.8!,f=-5.5!) USER MOD Single : B 29 SER OG : rot 180:sc= 0.147 USER MOD Single : B 31 LYS NZ :NH3+ 170:sc=0.000305 (180deg=0) USER MOD Single : B 34 ASN : amide:sc=-0.00838 K(o=-0.0084,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.791 -9.657 -1.120 1.00 0.76 N ATOM 2 CA ASP B 2 9.449 -10.800 -0.222 1.00 0.88 C ATOM 3 C ASP B 2 7.934 -10.958 -0.121 1.00 0.68 C ATOM 4 O ASP B 2 7.191 -10.476 -0.952 1.00 0.66 O ATOM 5 CB ASP B 2 10.032 -10.439 1.148 1.00 1.25 C ATOM 6 CG ASP B 2 11.507 -10.052 1.005 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.247 -10.821 0.414 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.870 -8.992 1.489 1.00 2.37 O ATOM 0 HA ASP B 2 9.850 -11.741 -0.598 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.471 -9.612 1.584 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.934 -11.285 1.828 1.00 1.25 H new ATOM 15 N ALA B 3 7.479 -11.629 0.898 1.00 0.63 N ATOM 16 CA ALA B 3 6.009 -11.830 1.078 1.00 0.58 C ATOM 17 C ALA B 3 5.301 -10.481 1.157 1.00 0.63 C ATOM 18 O ALA B 3 4.181 -10.329 0.710 1.00 0.61 O ATOM 19 CB ALA B 3 5.868 -12.585 2.398 1.00 0.75 C ATOM 0 H ALA B 3 8.063 -12.051 1.620 1.00 0.63 H new ATOM 0 HA ALA B 3 5.563 -12.377 0.247 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.813 -12.770 2.600 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.397 -13.536 2.332 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.293 -11.989 3.205 1.00 0.75 H new ATOM 25 N GLN B 4 5.949 -9.498 1.714 1.00 0.75 N ATOM 26 CA GLN B 4 5.314 -8.154 1.814 1.00 0.89 C ATOM 27 C GLN B 4 5.273 -7.523 0.435 1.00 0.79 C ATOM 28 O GLN B 4 4.219 -7.184 -0.068 1.00 0.81 O ATOM 29 CB GLN B 4 6.206 -7.354 2.768 1.00 1.09 C ATOM 30 CG GLN B 4 5.410 -6.209 3.402 1.00 1.29 C ATOM 31 CD GLN B 4 6.009 -4.865 2.980 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.728 -4.242 3.736 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.742 -4.390 1.794 1.00 0.94 N ATOM 0 H GLN B 4 6.889 -9.566 2.104 1.00 0.75 H new ATOM 0 HA GLN B 4 4.289 -8.192 2.183 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.598 -8.009 3.546 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.063 -6.954 2.227 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.366 -6.265 3.093 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.427 -6.300 4.488 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.139 -4.913 1.159 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.137 -3.496 1.502 1.00 0.94 H new ATOM 42 N THR B 5 6.403 -7.398 -0.202 1.00 0.76 N ATOM 43 CA THR B 5 6.405 -6.831 -1.577 1.00 0.79 C ATOM 44 C THR B 5 5.401 -7.631 -2.406 1.00 0.59 C ATOM 45 O THR B 5 4.771 -7.125 -3.313 1.00 0.57 O ATOM 46 CB THR B 5 7.829 -7.031 -2.096 1.00 0.94 C ATOM 47 OG1 THR B 5 8.726 -6.233 -1.336 1.00 1.26 O ATOM 48 CG2 THR B 5 7.899 -6.623 -3.567 1.00 0.94 C ATOM 0 H THR B 5 7.317 -7.661 0.166 1.00 0.76 H new ATOM 0 HA THR B 5 6.127 -5.778 -1.620 1.00 0.79 H new ATOM 0 HB THR B 5 8.107 -8.080 -1.999 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.639 -6.362 -1.667 1.00 1.26 H new ATOM 0 HG21 THR B 5 8.915 -6.766 -3.936 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.212 -7.238 -4.148 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.621 -5.574 -3.667 1.00 0.94 H new ATOM 56 N ARG B 6 5.234 -8.880 -2.057 1.00 0.48 N ATOM 57 CA ARG B 6 4.254 -9.736 -2.771 1.00 0.46 C ATOM 58 C ARG B 6 2.853 -9.326 -2.375 1.00 0.43 C ATOM 59 O ARG B 6 1.982 -9.164 -3.209 1.00 0.45 O ATOM 60 CB ARG B 6 4.495 -11.154 -2.266 1.00 0.56 C ATOM 61 CG ARG B 6 5.125 -12.007 -3.369 1.00 0.78 C ATOM 62 CD ARG B 6 6.179 -12.935 -2.758 1.00 1.03 C ATOM 63 NE ARG B 6 5.434 -14.171 -2.382 1.00 0.88 N ATOM 64 CZ ARG B 6 5.044 -15.023 -3.299 1.00 0.73 C ATOM 65 NH1 ARG B 6 5.298 -14.809 -4.564 1.00 1.43 N ATOM 66 NH2 ARG B 6 4.394 -16.098 -2.945 1.00 1.26 N ATOM 0 H ARG B 6 5.740 -9.343 -1.302 1.00 0.48 H new ATOM 0 HA ARG B 6 4.363 -9.653 -3.852 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.150 -11.131 -1.395 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.553 -11.599 -1.945 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.357 -12.594 -3.873 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.582 -11.366 -4.123 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.973 -13.155 -3.472 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.650 -12.478 -1.888 1.00 1.03 H new ATOM 0 HE ARG B 6 5.226 -14.356 -1.401 1.00 0.88 H new ATOM 0 HH11 ARG B 6 5.805 -13.971 -4.848 1.00 1.43 H new ATOM 0 HH12 ARG B 6 4.989 -15.480 -5.267 1.00 1.43 H new ATOM 0 HH21 ARG B 6 4.192 -16.271 -1.960 1.00 1.26 H new ATOM 0 HH22 ARG B 6 4.088 -16.765 -3.653 1.00 1.26 H new ATOM 80 N ARG B 7 2.618 -9.171 -1.099 1.00 0.61 N ATOM 81 CA ARG B 7 1.257 -8.789 -0.668 1.00 0.80 C ATOM 82 C ARG B 7 0.906 -7.434 -1.279 1.00 0.65 C ATOM 83 O ARG B 7 -0.231 -7.161 -1.605 1.00 0.56 O ATOM 84 CB ARG B 7 1.312 -8.713 0.859 1.00 1.16 C ATOM 85 CG ARG B 7 -0.010 -8.143 1.392 1.00 1.10 C ATOM 86 CD ARG B 7 0.164 -7.714 2.848 1.00 0.92 C ATOM 87 NE ARG B 7 -0.716 -6.524 3.017 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.011 -6.652 3.071 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.574 -7.831 2.975 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.746 -5.585 3.220 1.00 1.61 N ATOM 0 H ARG B 7 3.302 -9.292 -0.352 1.00 0.61 H new ATOM 0 HA ARG B 7 0.495 -9.500 -0.989 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.487 -9.704 1.277 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.144 -8.083 1.172 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.320 -7.291 0.787 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.798 -8.893 1.315 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.122 -8.514 3.530 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.204 -7.468 3.064 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.299 -5.596 3.091 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.997 -8.664 2.856 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.589 -7.916 3.019 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.305 -4.668 3.292 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.762 -5.667 3.264 1.00 1.61 H new ATOM 104 N ARG B 8 1.891 -6.596 -1.453 1.00 0.68 N ATOM 105 CA ARG B 8 1.648 -5.254 -2.059 1.00 0.67 C ATOM 106 C ARG B 8 0.976 -5.426 -3.406 1.00 0.48 C ATOM 107 O ARG B 8 0.049 -4.714 -3.742 1.00 0.50 O ATOM 108 CB ARG B 8 3.045 -4.649 -2.230 1.00 0.77 C ATOM 109 CG ARG B 8 3.049 -3.168 -1.831 1.00 0.73 C ATOM 110 CD ARG B 8 2.438 -2.966 -0.432 1.00 0.73 C ATOM 111 NE ARG B 8 2.808 -4.176 0.364 1.00 0.85 N ATOM 112 CZ ARG B 8 2.141 -4.494 1.445 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.139 -3.763 1.858 1.00 1.16 N ATOM 114 NH2 ARG B 8 2.482 -5.553 2.119 1.00 1.43 N ATOM 0 H ARG B 8 2.861 -6.784 -1.200 1.00 0.68 H new ATOM 0 HA ARG B 8 1.002 -4.622 -1.450 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.761 -5.197 -1.618 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.367 -4.752 -3.266 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.071 -2.788 -1.843 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.486 -2.590 -2.564 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.825 -2.060 0.035 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.355 -2.856 -0.492 1.00 0.73 H new ATOM 0 HE ARG B 8 3.588 -4.760 0.062 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.866 -2.930 1.336 1.00 1.16 H new ATOM 0 HH12 ARG B 8 0.630 -4.025 2.702 1.00 1.16 H new ATOM 0 HH21 ARG B 8 3.263 -6.128 1.804 1.00 1.43 H new ATOM 0 HH22 ARG B 8 1.968 -5.808 2.962 1.00 1.43 H new ATOM 128 N GLU B 9 1.405 -6.385 -4.168 1.00 0.38 N ATOM 129 CA GLU B 9 0.739 -6.614 -5.476 1.00 0.34 C ATOM 130 C GLU B 9 -0.717 -6.948 -5.196 1.00 0.31 C ATOM 131 O GLU B 9 -1.607 -6.623 -5.957 1.00 0.34 O ATOM 132 CB GLU B 9 1.473 -7.792 -6.121 1.00 0.40 C ATOM 133 CG GLU B 9 2.921 -7.392 -6.423 1.00 0.59 C ATOM 134 CD GLU B 9 3.140 -7.353 -7.937 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.325 -6.755 -8.619 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.120 -7.923 -8.389 1.00 1.88 O ATOM 0 H GLU B 9 2.177 -7.014 -3.948 1.00 0.38 H new ATOM 0 HA GLU B 9 0.770 -5.751 -6.141 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.455 -8.654 -5.454 1.00 0.40 H new ATOM 0 HB3 GLU B 9 0.968 -8.089 -7.040 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.137 -6.416 -5.989 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.608 -8.103 -5.965 1.00 0.59 H new ATOM 143 N ARG B 10 -0.961 -7.547 -4.065 1.00 0.31 N ATOM 144 CA ARG B 10 -2.352 -7.855 -3.670 1.00 0.38 C ATOM 145 C ARG B 10 -2.988 -6.581 -3.129 1.00 0.35 C ATOM 146 O ARG B 10 -4.190 -6.485 -2.983 1.00 0.40 O ATOM 147 CB ARG B 10 -2.235 -8.917 -2.574 1.00 0.46 C ATOM 148 CG ARG B 10 -2.858 -10.226 -3.057 1.00 0.73 C ATOM 149 CD ARG B 10 -2.264 -11.394 -2.266 1.00 0.67 C ATOM 150 NE ARG B 10 -3.081 -12.582 -2.651 1.00 1.55 N ATOM 151 CZ ARG B 10 -2.713 -13.788 -2.295 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.623 -13.976 -1.596 1.00 2.20 N ATOM 153 NH2 ARG B 10 -3.442 -14.814 -2.641 1.00 3.14 N ATOM 0 H ARG B 10 -0.248 -7.836 -3.396 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.967 -8.215 -4.495 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.187 -9.075 -2.317 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.737 -8.576 -1.669 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.940 -10.197 -2.926 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.669 -10.360 -4.122 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.213 -11.542 -2.512 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.317 -11.210 -1.193 1.00 0.67 H new ATOM 0 HE ARG B 10 -3.934 -12.454 -3.196 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.049 -13.179 -1.322 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -1.347 -14.920 -1.325 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -4.293 -14.674 -3.186 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -3.161 -15.755 -2.367 1.00 3.14 H new ATOM 167 N ARG B 11 -2.182 -5.588 -2.846 1.00 0.29 N ATOM 168 CA ARG B 11 -2.735 -4.315 -2.333 1.00 0.29 C ATOM 169 C ARG B 11 -2.920 -3.323 -3.475 1.00 0.24 C ATOM 170 O ARG B 11 -3.326 -2.204 -3.256 1.00 0.25 O ATOM 171 CB ARG B 11 -1.705 -3.787 -1.339 1.00 0.32 C ATOM 172 CG ARG B 11 -1.588 -4.734 -0.133 1.00 0.41 C ATOM 173 CD ARG B 11 -2.970 -4.952 0.493 1.00 0.55 C ATOM 174 NE ARG B 11 -3.118 -6.437 0.563 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.280 -6.984 0.820 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.338 -6.244 1.023 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.382 -8.284 0.874 1.00 1.76 N ATOM 0 H ARG B 11 -1.168 -5.612 -2.951 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.709 -4.459 -1.866 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.736 -3.689 -1.828 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.994 -2.792 -1.001 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.167 -5.689 -0.448 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.906 -4.314 0.606 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.033 -4.500 1.483 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.756 -4.503 -0.114 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.304 -7.032 0.409 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.265 -5.227 0.982 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -6.237 -6.683 1.222 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.560 -8.867 0.717 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.284 -8.717 1.074 1.00 1.76 H new ATOM 191 N ALA B 12 -2.653 -3.719 -4.697 1.00 0.24 N ATOM 192 CA ALA B 12 -2.859 -2.762 -5.828 1.00 0.28 C ATOM 193 C ALA B 12 -4.295 -2.243 -5.760 1.00 0.31 C ATOM 194 O ALA B 12 -4.593 -1.140 -6.173 1.00 0.33 O ATOM 195 CB ALA B 12 -2.632 -3.578 -7.102 1.00 0.34 C ATOM 0 H ALA B 12 -2.309 -4.643 -4.956 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.187 -1.905 -5.795 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.767 -2.937 -7.973 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.619 -3.980 -7.101 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.348 -4.399 -7.141 1.00 0.34 H new ATOM 201 N GLU B 13 -5.179 -3.030 -5.200 1.00 0.34 N ATOM 202 CA GLU B 13 -6.588 -2.585 -5.056 1.00 0.41 C ATOM 203 C GLU B 13 -6.661 -1.586 -3.903 1.00 0.38 C ATOM 204 O GLU B 13 -7.428 -0.643 -3.933 1.00 0.42 O ATOM 205 CB GLU B 13 -7.386 -3.851 -4.738 1.00 0.48 C ATOM 206 CG GLU B 13 -7.304 -4.820 -5.922 1.00 0.52 C ATOM 207 CD GLU B 13 -6.406 -6.003 -5.556 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.831 -6.817 -4.752 1.00 1.15 O ATOM 209 OE2 GLU B 13 -5.310 -6.076 -6.086 1.00 1.18 O ATOM 0 H GLU B 13 -4.980 -3.962 -4.837 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.979 -2.097 -5.949 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.992 -4.325 -3.839 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.426 -3.596 -4.535 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.301 -5.175 -6.184 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.907 -4.307 -6.798 1.00 0.52 H new ATOM 216 N LYS B 14 -5.834 -1.764 -2.903 1.00 0.33 N ATOM 217 CA LYS B 14 -5.822 -0.799 -1.774 1.00 0.33 C ATOM 218 C LYS B 14 -5.032 0.424 -2.226 1.00 0.28 C ATOM 219 O LYS B 14 -5.342 1.554 -1.903 1.00 0.30 O ATOM 220 CB LYS B 14 -5.103 -1.528 -0.636 1.00 0.31 C ATOM 221 CG LYS B 14 -5.903 -2.767 -0.237 1.00 0.38 C ATOM 222 CD LYS B 14 -7.012 -2.370 0.739 1.00 1.23 C ATOM 223 CE LYS B 14 -7.204 -3.484 1.771 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.087 -4.480 1.102 1.00 1.83 N ATOM 0 H LYS B 14 -5.171 -2.535 -2.824 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.812 -0.472 -1.457 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.100 -1.816 -0.951 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.990 -0.864 0.221 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.334 -3.234 -1.122 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.245 -3.504 0.224 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.754 -1.436 1.239 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.942 -2.196 0.198 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -6.250 -3.929 2.054 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.661 -3.102 2.684 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -8.265 -5.275 1.748 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.990 -4.030 0.851 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -7.623 -4.831 0.240 1.00 1.83 H new ATOM 238 N GLN B 15 -4.018 0.175 -3.000 1.00 0.25 N ATOM 239 CA GLN B 15 -3.165 1.259 -3.544 1.00 0.24 C ATOM 240 C GLN B 15 -3.940 2.058 -4.583 1.00 0.28 C ATOM 241 O GLN B 15 -3.986 3.266 -4.540 1.00 0.28 O ATOM 242 CB GLN B 15 -2.004 0.509 -4.207 1.00 0.24 C ATOM 243 CG GLN B 15 -0.737 0.687 -3.379 1.00 0.25 C ATOM 244 CD GLN B 15 0.157 -0.536 -3.571 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.214 -1.675 -3.057 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.199 -0.455 -4.191 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.738 -0.763 -3.286 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.833 1.966 -2.784 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.246 -0.550 -4.296 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.845 0.885 -5.218 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.210 1.591 -3.686 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.989 0.807 -2.325 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.486 0.438 -4.592 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.787 -1.280 -4.311 1.00 0.33 H new ATOM 255 N ALA B 16 -4.548 1.389 -5.517 1.00 0.35 N ATOM 256 CA ALA B 16 -5.322 2.118 -6.562 1.00 0.41 C ATOM 257 C ALA B 16 -6.527 2.803 -5.925 1.00 0.40 C ATOM 258 O ALA B 16 -7.001 3.813 -6.411 1.00 0.43 O ATOM 259 CB ALA B 16 -5.768 1.049 -7.561 1.00 0.48 C ATOM 0 H ALA B 16 -4.545 0.373 -5.605 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.732 2.893 -7.050 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.345 1.515 -8.360 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.892 0.559 -7.985 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.386 0.310 -7.051 1.00 0.48 H new ATOM 265 N GLN B 17 -7.008 2.289 -4.825 1.00 0.40 N ATOM 266 CA GLN B 17 -8.159 2.950 -4.156 1.00 0.42 C ATOM 267 C GLN B 17 -7.620 4.132 -3.366 1.00 0.37 C ATOM 268 O GLN B 17 -8.238 5.174 -3.267 1.00 0.40 O ATOM 269 CB GLN B 17 -8.752 1.891 -3.228 1.00 0.45 C ATOM 270 CG GLN B 17 -9.705 0.995 -4.020 1.00 0.53 C ATOM 271 CD GLN B 17 -10.958 1.788 -4.399 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.671 2.265 -3.539 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.256 1.949 -5.658 1.00 1.33 N ATOM 0 H GLN B 17 -6.656 1.448 -4.366 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.916 3.318 -4.848 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.956 1.292 -2.786 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.284 2.369 -2.406 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.211 0.625 -4.918 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.980 0.124 -3.426 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.657 1.548 -6.379 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.089 2.476 -5.922 1.00 1.33 H new ATOM 282 N TRP B 18 -6.446 3.973 -2.833 1.00 0.32 N ATOM 283 CA TRP B 18 -5.806 5.073 -2.074 1.00 0.30 C ATOM 284 C TRP B 18 -5.234 6.080 -3.065 1.00 0.31 C ATOM 285 O TRP B 18 -5.410 7.275 -2.941 1.00 0.35 O ATOM 286 CB TRP B 18 -4.665 4.406 -1.310 1.00 0.25 C ATOM 287 CG TRP B 18 -3.832 5.466 -0.672 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.925 5.900 0.603 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.780 6.237 -1.286 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.991 6.908 0.794 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.256 7.141 -0.344 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.237 6.227 -2.565 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.222 8.012 -0.673 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.205 7.088 -2.901 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.696 7.979 -1.966 1.00 0.38 C ATOM 0 H TRP B 18 -5.896 3.116 -2.892 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.498 5.592 -1.411 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.062 3.730 -0.552 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.058 3.805 -1.987 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.611 5.526 1.349 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.865 7.414 1.671 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.623 5.541 -3.304 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.832 8.703 0.060 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.793 7.066 -3.899 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.107 8.647 -2.239 1.00 0.38 H new ATOM 306 N LYS B 19 -4.544 5.582 -4.045 1.00 0.30 N ATOM 307 CA LYS B 19 -3.932 6.465 -5.069 1.00 0.37 C ATOM 308 C LYS B 19 -5.033 7.243 -5.755 1.00 0.46 C ATOM 309 O LYS B 19 -4.866 8.388 -6.129 1.00 0.70 O ATOM 310 CB LYS B 19 -3.240 5.528 -6.062 1.00 0.40 C ATOM 311 CG LYS B 19 -1.912 5.028 -5.487 1.00 0.49 C ATOM 312 CD LYS B 19 -1.052 4.451 -6.614 1.00 0.96 C ATOM 313 CE LYS B 19 -1.537 3.040 -6.960 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.294 2.238 -7.138 1.00 1.92 N ATOM 0 H LYS B 19 -4.375 4.586 -4.183 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.224 7.177 -4.645 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.889 4.681 -6.285 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.063 6.051 -7.002 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.385 5.846 -4.996 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.096 4.266 -4.729 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.110 5.092 -7.494 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.006 4.422 -6.309 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -2.160 2.631 -6.165 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.139 3.041 -7.868 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.545 1.257 -7.377 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.276 2.647 -7.906 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.256 2.249 -6.255 1.00 1.92 H new ATOM 328 N ALA B 20 -6.170 6.627 -5.912 1.00 0.44 N ATOM 329 CA ALA B 20 -7.292 7.335 -6.563 1.00 0.52 C ATOM 330 C ALA B 20 -7.670 8.567 -5.741 1.00 0.56 C ATOM 331 O ALA B 20 -8.145 9.555 -6.265 1.00 0.74 O ATOM 332 CB ALA B 20 -8.444 6.341 -6.582 1.00 0.55 C ATOM 0 H ALA B 20 -6.365 5.670 -5.618 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.037 7.674 -7.567 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.313 6.800 -7.053 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.151 5.456 -7.146 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.694 6.054 -5.561 1.00 0.55 H new ATOM 338 N ALA B 21 -7.462 8.509 -4.452 1.00 0.54 N ATOM 339 CA ALA B 21 -7.810 9.673 -3.592 1.00 0.66 C ATOM 340 C ALA B 21 -6.579 10.178 -2.850 1.00 0.73 C ATOM 341 O ALA B 21 -6.669 10.768 -1.792 1.00 0.99 O ATOM 342 CB ALA B 21 -8.859 9.148 -2.613 1.00 0.71 C ATOM 0 H ALA B 21 -7.067 7.707 -3.960 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.186 10.514 -4.174 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.166 9.951 -1.943 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.725 8.786 -3.167 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.435 8.331 -2.029 1.00 0.71 H new ATOM 348 N ASN B 22 -5.435 9.970 -3.423 1.00 0.73 N ATOM 349 CA ASN B 22 -4.173 10.454 -2.786 1.00 0.88 C ATOM 350 C ASN B 22 -3.089 10.698 -3.842 1.00 1.08 C ATOM 351 O ASN B 22 -1.967 10.253 -3.692 1.00 0.00 O ATOM 352 CB ASN B 22 -3.732 9.360 -1.822 1.00 0.93 C ATOM 353 CG ASN B 22 -4.749 9.232 -0.692 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.019 10.184 0.014 1.00 1.13 O ATOM 355 ND2 ASN B 22 -5.325 8.086 -0.492 1.00 0.94 N ATOM 0 H ASN B 22 -5.311 9.483 -4.311 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.336 11.400 -2.269 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.640 8.411 -2.351 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.749 9.595 -1.415 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -6.007 7.982 0.260 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.096 7.289 -1.086 1.00 0.94 H new ATOM 362 N PRO B 23 -3.447 11.433 -4.858 1.00 0.00 N ATOM 363 CA PRO B 23 -2.483 11.777 -5.917 1.00 0.00 C ATOM 364 C PRO B 23 -1.491 12.765 -5.315 1.00 0.00 C ATOM 365 O PRO B 23 -0.339 12.826 -5.691 1.00 0.00 O ATOM 366 CB PRO B 23 -3.342 12.418 -7.003 1.00 0.00 C ATOM 367 CG PRO B 23 -4.549 12.923 -6.285 1.00 0.00 C ATOM 368 CD PRO B 23 -4.760 12.014 -5.102 1.00 0.00 C ATOM 0 HA PRO B 23 -1.914 10.939 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.810 13.228 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.613 11.694 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.404 13.953 -5.960 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.420 12.915 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.118 12.567 -4.234 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.502 11.245 -5.318 1.00 0.00 H new ATOM 376 N LEU B 24 -1.942 13.517 -4.343 1.00 0.00 N ATOM 377 CA LEU B 24 -1.041 14.487 -3.659 1.00 0.00 C ATOM 378 C LEU B 24 0.172 13.731 -3.116 1.00 0.00 C ATOM 379 O LEU B 24 1.287 14.216 -3.124 1.00 0.00 O ATOM 380 CB LEU B 24 -1.895 15.092 -2.524 1.00 0.00 C ATOM 381 CG LEU B 24 -1.791 14.259 -1.226 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.337 15.082 -0.058 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.609 12.960 -1.349 1.00 0.00 C ATOM 0 H LEU B 24 -2.900 13.499 -3.994 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.662 15.270 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.569 16.114 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.937 15.145 -2.840 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.745 14.003 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.267 14.500 0.861 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.754 15.997 0.046 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.380 15.336 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.523 12.387 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.656 13.205 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.228 12.367 -2.180 1.00 0.00 H new ATOM 395 N LEU B 25 -0.049 12.521 -2.688 1.00 0.00 N ATOM 396 CA LEU B 25 1.060 11.672 -2.186 1.00 0.00 C ATOM 397 C LEU B 25 1.438 10.730 -3.314 1.00 0.00 C ATOM 398 O LEU B 25 1.778 9.581 -3.116 1.00 0.00 O ATOM 399 CB LEU B 25 0.461 10.900 -1.011 1.00 0.00 C ATOM 400 CG LEU B 25 0.780 11.621 0.302 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.435 11.552 1.231 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.975 10.944 0.977 1.00 0.00 C ATOM 0 H LEU B 25 -0.968 12.079 -2.665 1.00 0.00 H new ATOM 0 HA LEU B 25 1.947 12.224 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.618 10.812 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.863 9.887 -0.987 1.00 0.00 H new ATOM 0 HG LEU B 25 1.021 12.664 0.095 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.208 12.065 2.166 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.288 12.032 0.751 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.675 10.509 1.439 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.203 11.456 1.912 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.733 9.901 1.184 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.841 10.991 0.317 1.00 0.00 H new ATOM 414 N VAL B 26 1.325 11.225 -4.506 1.00 0.00 N ATOM 415 CA VAL B 26 1.606 10.405 -5.702 1.00 0.00 C ATOM 416 C VAL B 26 2.081 11.314 -6.843 1.00 0.00 C ATOM 417 O VAL B 26 1.463 12.314 -7.143 1.00 0.00 O ATOM 418 CB VAL B 26 0.238 9.768 -6.002 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.102 9.893 -7.489 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.271 8.293 -5.601 1.00 0.00 C ATOM 0 H VAL B 26 1.043 12.185 -4.704 1.00 0.00 H new ATOM 0 HA VAL B 26 2.389 9.658 -5.571 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.529 10.290 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.073 9.436 -7.680 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.135 10.946 -7.767 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.660 9.385 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.696 7.837 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL B 26 1.046 7.779 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.487 8.210 -4.536 1.00 0.00 H new ATOM 430 N GLY B 27 3.174 10.982 -7.477 1.00 0.00 N ATOM 431 CA GLY B 27 3.676 11.845 -8.586 1.00 0.00 C ATOM 432 C GLY B 27 3.852 13.271 -8.060 1.00 0.00 C ATOM 433 O GLY B 27 4.850 13.587 -7.445 1.00 0.00 O ATOM 0 H GLY B 27 3.738 10.156 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.624 11.462 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.974 11.834 -9.420 1.00 0.00 H new ATOM 437 N VAL B 28 2.878 14.124 -8.286 1.00 0.00 N ATOM 438 CA VAL B 28 2.951 15.541 -7.793 1.00 0.00 C ATOM 439 C VAL B 28 4.372 16.099 -7.910 1.00 0.00 C ATOM 440 O VAL B 28 5.174 15.623 -8.690 1.00 0.00 O ATOM 441 CB VAL B 28 2.475 15.473 -6.327 1.00 0.00 C ATOM 442 CG1 VAL B 28 3.653 15.276 -5.362 1.00 0.00 C ATOM 443 CG2 VAL B 28 1.747 16.775 -5.975 1.00 0.00 C ATOM 0 H VAL B 28 2.025 13.896 -8.797 1.00 0.00 H new ATOM 0 HA VAL B 28 2.332 16.216 -8.384 1.00 0.00 H new ATOM 0 HB VAL B 28 1.805 14.619 -6.224 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.281 15.233 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL B 28 4.167 14.345 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.348 16.110 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.408 16.734 -4.940 1.00 0.00 H new ATOM 0 HG22 VAL B 28 2.427 17.618 -6.101 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.888 16.901 -6.634 1.00 0.00 H new ATOM 453 N SER B 29 4.682 17.101 -7.141 1.00 0.00 N ATOM 454 CA SER B 29 6.051 17.691 -7.191 1.00 0.00 C ATOM 455 C SER B 29 7.060 16.699 -6.598 1.00 0.00 C ATOM 456 O SER B 29 7.710 16.972 -5.607 1.00 0.00 O ATOM 457 CB SER B 29 5.984 18.969 -6.346 1.00 0.00 C ATOM 458 OG SER B 29 4.636 19.226 -5.968 1.00 0.00 O ATOM 0 H SER B 29 4.046 17.541 -6.476 1.00 0.00 H new ATOM 0 HA SER B 29 6.370 17.910 -8.210 1.00 0.00 H new ATOM 0 HB2 SER B 29 6.606 18.862 -5.458 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.380 19.812 -6.913 1.00 0.00 H new ATOM 0 HG SER B 29 4.598 20.042 -5.427 1.00 0.00 H new ATOM 464 N ALA B 30 7.188 15.547 -7.201 1.00 0.00 N ATOM 465 CA ALA B 30 8.143 14.524 -6.689 1.00 0.00 C ATOM 466 C ALA B 30 8.635 13.663 -7.852 1.00 0.00 C ATOM 467 O ALA B 30 8.626 12.449 -7.791 1.00 0.00 O ATOM 468 CB ALA B 30 7.335 13.683 -5.698 1.00 0.00 C ATOM 0 H ALA B 30 6.667 15.270 -8.033 1.00 0.00 H new ATOM 0 HA ALA B 30 9.020 14.966 -6.216 1.00 0.00 H new ATOM 0 HB1 ALA B 30 7.972 12.905 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.964 14.322 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA B 30 6.493 13.222 -6.214 1.00 0.00 H new ATOM 474 N LYS B 31 9.060 14.291 -8.911 1.00 0.00 N ATOM 475 CA LYS B 31 9.553 13.527 -10.092 1.00 0.00 C ATOM 476 C LYS B 31 11.054 13.778 -10.291 1.00 0.00 C ATOM 477 O LYS B 31 11.441 14.755 -10.901 1.00 0.00 O ATOM 478 CB LYS B 31 8.752 14.077 -11.273 1.00 0.00 C ATOM 479 CG LYS B 31 7.281 13.659 -11.139 1.00 0.00 C ATOM 480 CD LYS B 31 6.838 12.925 -12.408 1.00 0.00 C ATOM 481 CE LYS B 31 6.376 13.942 -13.457 1.00 0.00 C ATOM 482 NZ LYS B 31 5.031 13.468 -13.889 1.00 0.00 N ATOM 0 H LYS B 31 9.088 15.306 -9.011 1.00 0.00 H new ATOM 0 HA LYS B 31 9.425 12.451 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS B 31 8.830 15.164 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS B 31 9.163 13.702 -12.210 1.00 0.00 H new ATOM 0 HG2 LYS B 31 7.154 13.013 -10.270 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.656 14.537 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.662 12.330 -12.802 1.00 0.00 H new ATOM 0 HD3 LYS B 31 6.028 12.234 -12.176 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.324 14.946 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS B 31 7.068 13.984 -14.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 4.578 14.197 -14.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.132 12.592 -14.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.443 13.283 -13.052 1.00 0.00 H new ATOM 496 N PRO B 32 11.853 12.886 -9.762 1.00 0.00 N ATOM 497 CA PRO B 32 13.326 13.021 -9.880 1.00 0.00 C ATOM 498 C PRO B 32 13.781 12.711 -11.309 1.00 0.00 C ATOM 499 O PRO B 32 13.183 11.911 -12.001 1.00 0.00 O ATOM 500 CB PRO B 32 13.863 11.982 -8.898 1.00 0.00 C ATOM 501 CG PRO B 32 12.772 10.967 -8.772 1.00 0.00 C ATOM 502 CD PRO B 32 11.468 11.682 -9.013 1.00 0.00 C ATOM 0 HA PRO B 32 13.682 14.028 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO B 32 14.783 11.529 -9.267 1.00 0.00 H new ATOM 0 HB3 PRO B 32 14.095 12.434 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO B 32 12.909 10.163 -9.495 1.00 0.00 H new ATOM 0 HG3 PRO B 32 12.783 10.511 -7.782 1.00 0.00 H new ATOM 0 HD2 PRO B 32 10.773 11.064 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO B 32 10.974 11.937 -8.075 1.00 0.00 H new ATOM 510 N VAL B 33 14.839 13.343 -11.753 1.00 0.00 N ATOM 511 CA VAL B 33 15.346 13.097 -13.139 1.00 0.00 C ATOM 512 C VAL B 33 14.233 13.351 -14.162 1.00 0.00 C ATOM 513 O VAL B 33 13.358 12.531 -14.359 1.00 0.00 O ATOM 514 CB VAL B 33 15.781 11.627 -13.164 1.00 0.00 C ATOM 515 CG1 VAL B 33 16.459 11.316 -14.503 1.00 0.00 C ATOM 516 CG2 VAL B 33 16.767 11.367 -12.021 1.00 0.00 C ATOM 0 H VAL B 33 15.376 14.022 -11.213 1.00 0.00 H new ATOM 0 HA VAL B 33 16.171 13.761 -13.395 1.00 0.00 H new ATOM 0 HB VAL B 33 14.906 10.988 -13.043 1.00 0.00 H new ATOM 0 HG11 VAL B 33 16.768 10.271 -14.520 1.00 0.00 H new ATOM 0 HG12 VAL B 33 15.758 11.501 -15.317 1.00 0.00 H new ATOM 0 HG13 VAL B 33 17.334 11.955 -14.625 1.00 0.00 H new ATOM 0 HG21 VAL B 33 17.077 10.322 -12.038 1.00 0.00 H new ATOM 0 HG22 VAL B 33 17.641 12.007 -12.142 1.00 0.00 H new ATOM 0 HG23 VAL B 33 16.286 11.587 -11.068 1.00 0.00 H new ATOM 526 N ASN B 34 14.261 14.487 -14.812 1.00 0.00 N ATOM 527 CA ASN B 34 13.205 14.807 -15.822 1.00 0.00 C ATOM 528 C ASN B 34 13.034 13.651 -16.812 1.00 0.00 C ATOM 529 O ASN B 34 13.917 13.352 -17.591 1.00 0.00 O ATOM 530 CB ASN B 34 13.713 16.056 -16.544 1.00 0.00 C ATOM 531 CG ASN B 34 12.621 16.587 -17.474 1.00 0.00 C ATOM 532 OD1 ASN B 34 11.451 16.339 -17.262 1.00 0.00 O ATOM 533 ND2 ASN B 34 12.956 17.316 -18.505 1.00 0.00 N ATOM 0 H ASN B 34 14.971 15.209 -14.687 1.00 0.00 H new ATOM 0 HA ASN B 34 12.232 14.967 -15.357 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.991 16.821 -15.819 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.610 15.819 -17.117 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.235 17.676 -19.131 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.938 17.525 -18.684 1.00 0.00 H new ATOM 540 N ARG B 35 11.897 13.004 -16.788 1.00 0.00 N ATOM 541 CA ARG B 35 11.654 11.867 -17.725 1.00 0.00 C ATOM 542 C ARG B 35 10.240 11.303 -17.521 1.00 0.00 C ATOM 543 O ARG B 35 9.452 11.279 -18.446 1.00 0.00 O ATOM 544 CB ARG B 35 12.714 10.814 -17.381 1.00 0.00 C ATOM 545 CG ARG B 35 13.645 10.610 -18.579 1.00 0.00 C ATOM 546 CD ARG B 35 14.448 9.322 -18.388 1.00 0.00 C ATOM 547 NE ARG B 35 14.968 8.986 -19.746 1.00 0.00 N ATOM 548 CZ ARG B 35 15.565 7.840 -19.968 1.00 0.00 C ATOM 549 NH1 ARG B 35 15.717 6.968 -19.004 1.00 0.00 N ATOM 550 NH2 ARG B 35 16.012 7.566 -21.163 1.00 0.00 N ATOM 0 H ARG B 35 11.124 13.215 -16.157 1.00 0.00 H new ATOM 0 HA ARG B 35 11.724 12.177 -18.768 1.00 0.00 H new ATOM 0 HB2 ARG B 35 13.289 11.133 -16.511 1.00 0.00 H new ATOM 0 HB3 ARG B 35 12.233 9.872 -17.117 1.00 0.00 H new ATOM 0 HG2 ARG B 35 13.064 10.556 -19.500 1.00 0.00 H new ATOM 0 HG3 ARG B 35 14.320 11.460 -18.678 1.00 0.00 H new ATOM 0 HD2 ARG B 35 15.262 9.466 -17.678 1.00 0.00 H new ATOM 0 HD3 ARG B 35 13.822 8.521 -17.996 1.00 0.00 H new ATOM 0 HE ARG B 35 14.858 9.654 -20.509 1.00 0.00 H new ATOM 0 HH11 ARG B 35 15.369 7.177 -18.068 1.00 0.00 H new ATOM 0 HH12 ARG B 35 16.183 6.080 -19.189 1.00 0.00 H new ATOM 0 HH21 ARG B 35 15.896 8.242 -21.918 1.00 0.00 H new ATOM 0 HH22 ARG B 35 16.477 6.676 -21.342 1.00 0.00 H new ATOM 564 N PRO B 36 9.954 10.867 -16.315 1.00 0.00 N ATOM 565 CA PRO B 36 8.612 10.305 -16.020 1.00 0.00 C ATOM 566 C PRO B 36 7.565 11.421 -15.971 1.00 0.00 C ATOM 567 O PRO B 36 6.396 11.103 -15.826 1.00 0.00 O ATOM 568 CB PRO B 36 8.785 9.662 -14.647 1.00 0.00 C ATOM 569 CG PRO B 36 9.926 10.393 -14.016 1.00 0.00 C ATOM 570 CD PRO B 36 10.828 10.850 -15.132 1.00 0.00 C ATOM 571 OXT PRO B 36 7.951 12.573 -16.080 1.00 0.00 O ATOM 0 HA PRO B 36 8.268 9.598 -16.775 1.00 0.00 H new ATOM 0 HB2 PRO B 36 7.878 9.757 -14.050 1.00 0.00 H new ATOM 0 HB3 PRO B 36 8.999 8.597 -14.735 1.00 0.00 H new ATOM 0 HG2 PRO B 36 9.566 11.244 -13.438 1.00 0.00 H new ATOM 0 HG3 PRO B 36 10.465 9.744 -13.326 1.00 0.00 H new ATOM 0 HD2 PRO B 36 11.244 11.837 -14.930 1.00 0.00 H new ATOM 0 HD3 PRO B 36 11.670 10.171 -15.268 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.315 -15.281 -0.441 1.00 1.31 P ATOM 581 OP1 G A 1 11.020 -14.586 -0.228 1.00 1.51 O ATOM 582 OP2 G A 1 13.580 -14.506 -0.382 1.00 1.52 O ATOM 583 O5' G A 1 12.413 -16.477 0.606 1.00 1.09 O ATOM 584 C5' G A 1 12.449 -16.220 2.022 1.00 1.03 C ATOM 585 C4' G A 1 11.384 -17.026 2.727 1.00 0.94 C ATOM 586 O4' G A 1 11.623 -16.951 4.154 1.00 1.02 O ATOM 587 C3' G A 1 9.972 -16.491 2.568 1.00 0.80 C ATOM 588 O3' G A 1 9.390 -16.951 1.341 1.00 0.75 O ATOM 589 C2' G A 1 9.263 -17.032 3.809 1.00 0.78 C ATOM 590 O2' G A 1 8.773 -18.351 3.672 1.00 0.77 O ATOM 591 C1' G A 1 10.387 -17.015 4.845 1.00 0.90 C ATOM 592 N9 G A 1 10.274 -15.847 5.707 1.00 0.90 N ATOM 593 C8 G A 1 10.891 -14.630 5.555 1.00 0.97 C ATOM 594 N7 G A 1 10.550 -13.768 6.471 1.00 0.99 N ATOM 595 C5 G A 1 9.660 -14.462 7.279 1.00 0.90 C ATOM 596 C6 G A 1 8.956 -14.048 8.432 1.00 0.88 C ATOM 597 O6 G A 1 8.981 -12.950 8.989 1.00 0.94 O ATOM 598 N1 G A 1 8.156 -15.069 8.944 1.00 0.82 N ATOM 599 C2 G A 1 8.053 -16.328 8.403 1.00 0.81 C ATOM 600 N2 G A 1 7.232 -17.182 9.033 1.00 0.83 N ATOM 601 N3 G A 1 8.705 -16.724 7.326 1.00 0.83 N ATOM 602 C4 G A 1 9.484 -15.747 6.820 1.00 0.86 C ATOM 0 H5' G A 1 12.295 -15.157 2.210 1.00 1.03 H new ATOM 0 H5'' G A 1 13.431 -16.475 2.420 1.00 1.03 H new ATOM 0 H4' G A 1 11.448 -18.022 2.288 1.00 0.94 H new ATOM 0 H3' G A 1 9.908 -15.405 2.503 1.00 0.80 H new ATOM 0 H2' G A 1 8.378 -16.443 4.049 1.00 0.78 H new ATOM 0 HO2' G A 1 9.487 -18.932 3.334 1.00 0.77 H new ATOM 0 H1' G A 1 10.324 -17.913 5.460 1.00 0.90 H new ATOM 0 H8 G A 1 11.587 -14.410 4.759 1.00 0.97 H new ATOM 0 H1 G A 1 7.608 -14.867 9.780 1.00 0.82 H new ATOM 0 H21 G A 1 7.114 -18.131 8.679 1.00 0.83 H new ATOM 0 H22 G A 1 6.726 -16.882 9.866 1.00 0.83 H new ATOM 614 P C A 2 8.876 -18.469 1.204 1.00 0.69 P ATOM 615 OP1 C A 2 9.724 -19.342 2.056 1.00 0.84 O ATOM 616 OP2 C A 2 8.755 -18.760 -0.247 1.00 0.82 O ATOM 617 O5' C A 2 7.404 -18.419 1.810 1.00 0.58 O ATOM 618 C5' C A 2 6.632 -17.203 1.756 1.00 0.57 C ATOM 619 C4' C A 2 5.414 -17.311 2.642 1.00 0.55 C ATOM 620 O4' C A 2 5.817 -17.107 4.019 1.00 0.54 O ATOM 621 C3' C A 2 4.370 -16.236 2.385 1.00 0.51 C ATOM 622 O3' C A 2 3.462 -16.658 1.371 1.00 0.59 O ATOM 623 C2' C A 2 3.667 -16.111 3.732 1.00 0.53 C ATOM 624 O2' C A 2 2.611 -17.040 3.887 1.00 0.67 O ATOM 625 C1' C A 2 4.792 -16.428 4.721 1.00 0.51 C ATOM 626 N1 C A 2 5.377 -15.227 5.330 1.00 0.45 N ATOM 627 C2 C A 2 4.834 -14.755 6.524 1.00 0.44 C ATOM 628 O2 C A 2 3.875 -15.362 7.024 1.00 0.49 O ATOM 629 N3 C A 2 5.364 -13.654 7.103 1.00 0.43 N ATOM 630 C4 C A 2 6.395 -13.032 6.529 1.00 0.45 C ATOM 631 N4 C A 2 6.887 -11.951 7.137 1.00 0.49 N ATOM 632 C5 C A 2 6.969 -13.491 5.309 1.00 0.47 C ATOM 633 C6 C A 2 6.435 -14.583 4.747 1.00 0.46 C ATOM 0 H5' C A 2 6.326 -17.005 0.729 1.00 0.57 H new ATOM 0 H5'' C A 2 7.247 -16.361 2.073 1.00 0.57 H new ATOM 0 H4' C A 2 4.989 -18.293 2.434 1.00 0.55 H new ATOM 0 H3' C A 2 4.791 -15.293 2.036 1.00 0.51 H new ATOM 0 H2' C A 2 3.202 -15.134 3.864 1.00 0.53 H new ATOM 0 HO2' C A 2 1.767 -16.625 3.611 1.00 0.67 H new ATOM 0 H1' C A 2 4.364 -17.030 5.523 1.00 0.51 H new ATOM 0 H41 C A 2 7.675 -11.450 6.727 1.00 0.49 H new ATOM 0 H42 C A 2 6.475 -11.626 8.012 1.00 0.49 H new ATOM 0 H5 C A 2 7.803 -12.978 4.854 1.00 0.47 H new ATOM 0 H6 C A 2 6.844 -14.961 3.822 1.00 0.46 H new ATOM 645 P C A 3 2.035 -15.932 1.227 1.00 0.67 P ATOM 646 OP1 C A 3 1.047 -16.676 2.048 1.00 1.20 O ATOM 647 OP2 C A 3 1.782 -15.732 -0.223 1.00 1.00 O ATOM 648 O5' C A 3 2.264 -14.503 1.891 1.00 0.89 O ATOM 649 C5' C A 3 1.190 -13.552 1.990 1.00 0.68 C ATOM 650 C4' C A 3 0.669 -13.500 3.405 1.00 0.61 C ATOM 651 O4' C A 3 1.806 -13.549 4.302 1.00 0.67 O ATOM 652 C3' C A 3 -0.040 -12.207 3.755 1.00 0.56 C ATOM 653 O3' C A 3 -1.429 -12.274 3.407 1.00 0.57 O ATOM 654 C2' C A 3 0.194 -12.076 5.259 1.00 0.57 C ATOM 655 O2' C A 3 -0.754 -12.758 6.055 1.00 0.64 O ATOM 656 C1' C A 3 1.563 -12.733 5.434 1.00 0.62 C ATOM 657 N1 C A 3 2.651 -11.747 5.512 1.00 0.61 N ATOM 658 C2 C A 3 2.763 -10.954 6.655 1.00 0.56 C ATOM 659 O2 C A 3 1.942 -11.105 7.571 1.00 0.55 O ATOM 660 N3 C A 3 3.760 -10.044 6.735 1.00 0.58 N ATOM 661 C4 C A 3 4.623 -9.913 5.727 1.00 0.65 C ATOM 662 N4 C A 3 5.591 -9.001 5.848 1.00 0.71 N ATOM 663 C5 C A 3 4.532 -10.708 4.548 1.00 0.71 C ATOM 664 C6 C A 3 3.539 -11.605 4.482 1.00 0.68 C ATOM 0 H5' C A 3 0.386 -13.829 1.308 1.00 0.68 H new ATOM 0 H5'' C A 3 1.539 -12.565 1.687 1.00 0.68 H new ATOM 0 H4' C A 3 -0.031 -14.330 3.498 1.00 0.61 H new ATOM 0 H3' C A 3 0.331 -11.339 3.210 1.00 0.56 H new ATOM 0 H2' C A 3 0.119 -11.037 5.578 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.882 -13.665 5.707 1.00 0.64 H new ATOM 0 H1' C A 3 1.546 -13.300 6.365 1.00 0.62 H new ATOM 0 H41 C A 3 6.269 -8.874 5.096 1.00 0.71 H new ATOM 0 H42 C A 3 5.653 -8.432 6.692 1.00 0.71 H new ATOM 0 H5 C A 3 5.237 -10.592 3.738 1.00 0.71 H new ATOM 0 H6 C A 3 3.439 -12.224 3.603 1.00 0.68 H new ATOM 676 P C A 4 -2.460 -13.105 4.319 1.00 0.57 P ATOM 677 OP1 C A 4 -1.743 -14.260 4.918 1.00 0.73 O ATOM 678 OP2 C A 4 -3.675 -13.346 3.499 1.00 0.60 O ATOM 679 O5' C A 4 -2.853 -12.079 5.474 1.00 0.61 O ATOM 680 C5' C A 4 -2.819 -10.657 5.237 1.00 0.51 C ATOM 681 C4' C A 4 -2.765 -9.907 6.546 1.00 0.47 C ATOM 682 O4' C A 4 -1.427 -10.008 7.085 1.00 0.55 O ATOM 683 C3' C A 4 -3.017 -8.412 6.420 1.00 0.45 C ATOM 684 O3' C A 4 -4.414 -8.151 6.518 1.00 0.51 O ATOM 685 C2' C A 4 -2.260 -7.835 7.609 1.00 0.47 C ATOM 686 O2' C A 4 -3.030 -7.817 8.796 1.00 0.57 O ATOM 687 C1' C A 4 -1.091 -8.810 7.759 1.00 0.48 C ATOM 688 N1 C A 4 0.162 -8.306 7.177 1.00 0.43 N ATOM 689 C2 C A 4 0.865 -7.297 7.842 1.00 0.39 C ATOM 690 O2 C A 4 0.403 -6.835 8.897 1.00 0.43 O ATOM 691 N3 C A 4 2.029 -6.854 7.317 1.00 0.38 N ATOM 692 C4 C A 4 2.488 -7.378 6.179 1.00 0.45 C ATOM 693 N4 C A 4 3.636 -6.919 5.694 1.00 0.51 N ATOM 694 C5 C A 4 1.788 -8.398 5.485 1.00 0.51 C ATOM 695 C6 C A 4 0.641 -8.828 6.010 1.00 0.48 C ATOM 0 H5' C A 4 -3.702 -10.355 4.673 1.00 0.51 H new ATOM 0 H5'' C A 4 -1.950 -10.404 4.629 1.00 0.51 H new ATOM 0 H4' C A 4 -3.542 -10.354 7.166 1.00 0.47 H new ATOM 0 H3' C A 4 -2.693 -7.984 5.471 1.00 0.45 H new ATOM 0 H2' C A 4 -1.973 -6.796 7.447 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.898 -8.240 8.629 1.00 0.57 H new ATOM 0 H1' C A 4 -0.926 -8.957 8.826 1.00 0.48 H new ATOM 0 H41 C A 4 4.012 -7.300 4.826 1.00 0.51 H new ATOM 0 H42 C A 4 4.142 -6.185 6.190 1.00 0.51 H new ATOM 0 H5 C A 4 2.171 -8.812 4.564 1.00 0.51 H new ATOM 0 H6 C A 4 0.082 -9.601 5.504 1.00 0.48 H new ATOM 707 P U A 5 -5.030 -6.829 5.846 1.00 0.57 P ATOM 708 OP1 U A 5 -6.488 -6.806 6.124 1.00 0.77 O ATOM 709 OP2 U A 5 -4.554 -6.782 4.448 1.00 0.62 O ATOM 710 O5' U A 5 -4.355 -5.639 6.662 1.00 0.49 O ATOM 711 C5' U A 5 -4.745 -5.387 8.019 1.00 0.45 C ATOM 712 C4' U A 5 -3.969 -4.229 8.597 1.00 0.41 C ATOM 713 O4' U A 5 -2.590 -4.620 8.793 1.00 0.47 O ATOM 714 C3' U A 5 -3.863 -3.004 7.707 1.00 0.35 C ATOM 715 O3' U A 5 -5.042 -2.206 7.827 1.00 0.36 O ATOM 716 C2' U A 5 -2.639 -2.293 8.276 1.00 0.41 C ATOM 717 O2' U A 5 -2.953 -1.429 9.350 1.00 0.50 O ATOM 718 C1' U A 5 -1.783 -3.459 8.774 1.00 0.43 C ATOM 719 N1 U A 5 -0.610 -3.691 7.921 1.00 0.43 N ATOM 720 C2 U A 5 0.447 -2.830 8.098 1.00 0.40 C ATOM 721 O2 U A 5 0.426 -1.925 8.917 1.00 0.39 O ATOM 722 N3 U A 5 1.526 -3.061 7.287 1.00 0.43 N ATOM 723 C4 U A 5 1.653 -4.042 6.334 1.00 0.50 C ATOM 724 O4 U A 5 2.696 -4.114 5.679 1.00 0.54 O ATOM 725 C5 U A 5 0.515 -4.899 6.207 1.00 0.55 C ATOM 726 C6 U A 5 -0.559 -4.701 6.988 1.00 0.51 C ATOM 0 H5' U A 5 -4.577 -6.280 8.622 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.813 -5.171 8.061 1.00 0.45 H new ATOM 0 H4' U A 5 -4.522 -3.979 9.503 1.00 0.41 H new ATOM 0 H3' U A 5 -3.769 -3.226 6.644 1.00 0.35 H new ATOM 0 H2' U A 5 -2.157 -1.653 7.537 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.893 -1.548 9.601 1.00 0.50 H new ATOM 0 H1' U A 5 -1.413 -3.217 9.770 1.00 0.43 H new ATOM 0 H3 U A 5 2.323 -2.436 7.403 1.00 0.43 H new ATOM 0 H5 U A 5 0.520 -5.703 5.485 1.00 0.55 H new ATOM 0 H6 U A 5 -1.411 -5.356 6.880 1.00 0.51 H new ATOM 737 P G A 6 -4.954 -0.601 7.706 1.00 0.43 P ATOM 738 OP1 G A 6 -4.917 -0.033 9.078 1.00 0.65 O ATOM 739 OP2 G A 6 -6.019 -0.171 6.764 1.00 0.54 O ATOM 740 O5' G A 6 -3.547 -0.319 7.014 1.00 0.43 O ATOM 741 C5' G A 6 -2.600 0.597 7.608 1.00 0.47 C ATOM 742 C4' G A 6 -1.929 1.427 6.538 1.00 0.47 C ATOM 743 O4' G A 6 -0.527 1.064 6.486 1.00 0.53 O ATOM 744 C3' G A 6 -2.430 1.171 5.127 1.00 0.39 C ATOM 745 O3' G A 6 -3.560 1.994 4.849 1.00 0.41 O ATOM 746 C2' G A 6 -1.237 1.567 4.265 1.00 0.48 C ATOM 747 O2' G A 6 -1.215 2.948 3.961 1.00 0.59 O ATOM 748 C1' G A 6 -0.047 1.206 5.160 1.00 0.49 C ATOM 749 N9 G A 6 0.588 -0.049 4.774 1.00 0.50 N ATOM 750 C8 G A 6 0.049 -1.308 4.870 1.00 0.60 C ATOM 751 N7 G A 6 0.857 -2.244 4.454 1.00 0.63 N ATOM 752 C5 G A 6 1.998 -1.562 4.055 1.00 0.54 C ATOM 753 C6 G A 6 3.218 -2.050 3.513 1.00 0.55 C ATOM 754 O6 G A 6 3.541 -3.219 3.272 1.00 0.61 O ATOM 755 N1 G A 6 4.113 -1.016 3.245 1.00 0.55 N ATOM 756 C2 G A 6 3.860 0.316 3.474 1.00 0.57 C ATOM 757 N2 G A 6 4.846 1.171 3.151 1.00 0.70 N ATOM 758 N3 G A 6 2.729 0.781 3.980 1.00 0.53 N ATOM 759 C4 G A 6 1.849 -0.206 4.244 1.00 0.49 C ATOM 0 H5' G A 6 -1.850 0.041 8.170 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.110 1.249 8.317 1.00 0.47 H new ATOM 0 H4' G A 6 -2.136 2.461 6.812 1.00 0.47 H new ATOM 0 H3' G A 6 -2.756 0.145 4.955 1.00 0.39 H new ATOM 0 H2' G A 6 -1.247 1.068 3.296 1.00 0.48 H new ATOM 0 HO2' G A 6 -1.424 3.078 3.012 1.00 0.59 H new ATOM 0 H1' G A 6 0.696 1.998 5.065 1.00 0.49 H new ATOM 0 H8 G A 6 -0.942 -1.504 5.251 1.00 0.60 H new ATOM 0 H1 G A 6 5.020 -1.265 2.851 1.00 0.55 H new ATOM 0 H21 G A 6 4.720 2.173 3.297 1.00 0.70 H new ATOM 0 H22 G A 6 5.720 0.818 2.760 1.00 0.70 H new ATOM 771 P A A 7 -4.399 1.764 3.498 1.00 0.43 P ATOM 772 OP1 A A 7 -5.175 2.998 3.216 1.00 0.66 O ATOM 773 OP2 A A 7 -5.108 0.466 3.631 1.00 0.74 O ATOM 774 O5' A A 7 -3.282 1.606 2.373 1.00 0.33 O ATOM 775 C5' A A 7 -3.645 1.383 0.999 1.00 0.29 C ATOM 776 C4' A A 7 -2.614 1.992 0.082 1.00 0.23 C ATOM 777 O4' A A 7 -2.638 3.428 0.233 1.00 0.23 O ATOM 778 C3' A A 7 -1.175 1.638 0.406 1.00 0.25 C ATOM 779 O3' A A 7 -0.834 0.390 -0.180 1.00 0.27 O ATOM 780 C2' A A 7 -0.396 2.778 -0.242 1.00 0.24 C ATOM 781 O2' A A 7 -0.104 2.545 -1.605 1.00 0.25 O ATOM 782 C1' A A 7 -1.370 3.949 -0.112 1.00 0.21 C ATOM 783 N9 A A 7 -0.962 4.904 0.919 1.00 0.24 N ATOM 784 C8 A A 7 -1.536 5.122 2.147 1.00 0.29 C ATOM 785 N7 A A 7 -0.936 6.050 2.852 1.00 0.33 N ATOM 786 C5 A A 7 0.102 6.473 2.033 1.00 0.30 C ATOM 787 C6 A A 7 1.108 7.440 2.202 1.00 0.34 C ATOM 788 N6 A A 7 1.239 8.190 3.299 1.00 0.39 N ATOM 789 N1 A A 7 1.988 7.614 1.192 1.00 0.35 N ATOM 790 C2 A A 7 1.857 6.861 0.092 1.00 0.32 C ATOM 791 N3 A A 7 0.956 5.923 -0.184 1.00 0.27 N ATOM 792 C4 A A 7 0.097 5.775 0.839 1.00 0.25 C ATOM 0 H5' A A 7 -4.624 1.819 0.798 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.727 0.313 0.806 1.00 0.29 H new ATOM 0 H4' A A 7 -2.879 1.611 -0.905 1.00 0.23 H new ATOM 0 H3' A A 7 -0.974 1.534 1.472 1.00 0.25 H new ATOM 0 H2' A A 7 0.576 2.929 0.227 1.00 0.24 H new ATOM 0 HO2' A A 7 0.867 2.514 -1.731 1.00 0.25 H new ATOM 0 H1' A A 7 -1.391 4.480 -1.064 1.00 0.21 H new ATOM 0 H8 A A 7 -2.401 4.580 2.499 1.00 0.29 H new ATOM 0 H61 A A 7 1.991 8.876 3.361 1.00 0.39 H new ATOM 0 H62 A A 7 0.587 8.077 4.075 1.00 0.39 H new ATOM 0 H2 A A 7 2.588 7.042 -0.682 1.00 0.32 H new ATOM 804 P A A 8 -0.006 -0.688 0.673 1.00 0.37 P ATOM 805 OP1 A A 8 -0.413 -2.038 0.218 1.00 0.44 O ATOM 806 OP2 A A 8 -0.141 -0.326 2.106 1.00 0.47 O ATOM 807 O5' A A 8 1.503 -0.432 0.239 1.00 0.38 O ATOM 808 C5' A A 8 1.818 0.023 -1.090 1.00 0.39 C ATOM 809 C4' A A 8 2.892 1.081 -1.041 1.00 0.43 C ATOM 810 O4' A A 8 2.334 2.290 -0.468 1.00 0.37 O ATOM 811 C3' A A 8 4.047 0.752 -0.114 1.00 0.53 C ATOM 812 O3' A A 8 5.024 -0.067 -0.761 1.00 0.66 O ATOM 813 C2' A A 8 4.610 2.131 0.213 1.00 0.50 C ATOM 814 O2' A A 8 5.493 2.614 -0.779 1.00 0.58 O ATOM 815 C1' A A 8 3.344 2.992 0.233 1.00 0.38 C ATOM 816 N9 A A 8 2.860 3.253 1.587 1.00 0.36 N ATOM 817 C8 A A 8 1.823 2.638 2.243 1.00 0.42 C ATOM 818 N7 A A 8 1.618 3.098 3.454 1.00 0.47 N ATOM 819 C5 A A 8 2.587 4.079 3.607 1.00 0.41 C ATOM 820 C6 A A 8 2.901 4.939 4.674 1.00 0.44 C ATOM 821 N6 A A 8 2.242 4.951 5.834 1.00 0.54 N ATOM 822 N1 A A 8 3.930 5.799 4.504 1.00 0.40 N ATOM 823 C2 A A 8 4.590 5.787 3.339 1.00 0.36 C ATOM 824 N3 A A 8 4.388 5.027 2.265 1.00 0.35 N ATOM 825 C4 A A 8 3.359 4.185 2.466 1.00 0.35 C ATOM 0 H5' A A 8 0.923 0.425 -1.565 1.00 0.39 H new ATOM 0 H5'' A A 8 2.153 -0.817 -1.699 1.00 0.39 H new ATOM 0 H4' A A 8 3.246 1.170 -2.068 1.00 0.43 H new ATOM 0 H3' A A 8 3.745 0.184 0.766 1.00 0.53 H new ATOM 0 H2' A A 8 5.193 2.131 1.134 1.00 0.50 H new ATOM 0 HO2' A A 8 5.074 2.526 -1.661 1.00 0.58 H new ATOM 0 H1' A A 8 3.582 3.953 -0.224 1.00 0.38 H new ATOM 0 H8 A A 8 1.231 1.849 1.803 1.00 0.42 H new ATOM 0 H61 A A 8 2.518 5.600 6.571 1.00 0.54 H new ATOM 0 H62 A A 8 1.462 4.311 5.984 1.00 0.54 H new ATOM 0 H2 A A 8 5.402 6.495 3.259 1.00 0.36 H new ATOM 837 P A A 9 5.127 -0.086 -2.367 1.00 1.47 P ATOM 838 OP1 A A 9 5.286 1.318 -2.817 1.00 2.33 O ATOM 839 OP2 A A 9 4.010 -0.904 -2.901 1.00 2.35 O ATOM 840 O5' A A 9 6.493 -0.852 -2.651 1.00 1.08 O ATOM 841 C5' A A 9 7.649 -0.616 -1.829 1.00 1.04 C ATOM 842 C4' A A 9 8.419 0.571 -2.344 1.00 1.09 C ATOM 843 O4' A A 9 7.888 0.933 -3.642 1.00 1.26 O ATOM 844 C3' A A 9 8.233 1.830 -1.524 1.00 0.99 C ATOM 845 O3' A A 9 9.119 1.866 -0.413 1.00 1.17 O ATOM 846 C2' A A 9 8.545 2.932 -2.527 1.00 1.26 C ATOM 847 O2' A A 9 9.933 3.176 -2.654 1.00 1.57 O ATOM 848 C1' A A 9 8.000 2.334 -3.828 1.00 1.29 C ATOM 849 N9 A A 9 6.666 2.842 -4.148 1.00 0.00 N ATOM 850 C8 A A 9 5.948 3.789 -3.464 1.00 0.00 C ATOM 851 N7 A A 9 4.773 4.042 -3.986 1.00 0.00 N ATOM 852 C5 A A 9 4.710 3.200 -5.088 1.00 0.00 C ATOM 853 C6 A A 9 3.717 2.983 -6.056 1.00 0.00 C ATOM 854 N6 A A 9 2.548 3.629 -6.077 1.00 0.00 N ATOM 855 N1 A A 9 3.967 2.068 -7.017 1.00 0.00 N ATOM 856 C2 A A 9 5.138 1.420 -6.995 1.00 0.00 C ATOM 857 N3 A A 9 6.151 1.537 -6.139 1.00 0.00 N ATOM 858 C4 A A 9 5.870 2.454 -5.199 1.00 0.00 C ATOM 0 H5' A A 9 8.288 -1.499 -1.825 1.00 1.04 H new ATOM 0 H5'' A A 9 7.342 -0.440 -0.798 1.00 1.04 H new ATOM 0 H4' A A 9 9.465 0.265 -2.331 1.00 1.09 H new ATOM 0 H3' A A 9 7.239 1.916 -1.086 1.00 0.99 H new ATOM 0 H2' A A 9 8.116 3.893 -2.241 1.00 1.26 H new ATOM 0 HO2' A A 9 10.403 2.802 -1.880 1.00 1.57 H new ATOM 0 H1' A A 9 8.677 2.601 -4.640 1.00 1.29 H new ATOM 0 H8 A A 9 6.317 4.281 -2.576 1.00 0.00 H new ATOM 0 H61 A A 9 1.866 3.426 -6.808 1.00 0.00 H new ATOM 0 H62 A A 9 2.337 4.325 -5.362 1.00 0.00 H new ATOM 0 H2 A A 9 5.282 0.698 -7.785 1.00 0.00 H new ATOM 870 P A A 10 8.593 2.434 0.996 1.00 1.33 P ATOM 871 OP1 A A 10 7.352 1.686 1.354 1.00 2.10 O ATOM 872 OP2 A A 10 8.557 3.917 0.914 1.00 2.11 O ATOM 873 O5' A A 10 9.727 2.021 2.032 1.00 0.79 O ATOM 874 C5' A A 10 9.412 1.853 3.422 1.00 0.59 C ATOM 875 C4' A A 10 9.487 3.179 4.138 1.00 0.54 C ATOM 876 O4' A A 10 8.223 3.860 3.963 1.00 0.50 O ATOM 877 C3' A A 10 9.660 3.059 5.640 1.00 0.50 C ATOM 878 O3' A A 10 11.041 2.997 5.986 1.00 0.61 O ATOM 879 C2' A A 10 8.993 4.321 6.175 1.00 0.50 C ATOM 880 O2' A A 10 9.872 5.429 6.209 1.00 0.61 O ATOM 881 C1' A A 10 7.886 4.563 5.145 1.00 0.48 C ATOM 882 N9 A A 10 6.597 4.038 5.583 1.00 0.45 N ATOM 883 C8 A A 10 5.866 3.057 4.966 1.00 0.45 C ATOM 884 N7 A A 10 4.743 2.770 5.577 1.00 0.51 N ATOM 885 C5 A A 10 4.735 3.621 6.675 1.00 0.54 C ATOM 886 C6 A A 10 3.816 3.807 7.722 1.00 0.64 C ATOM 887 N6 A A 10 2.677 3.121 7.837 1.00 0.72 N ATOM 888 N1 A A 10 4.111 4.735 8.657 1.00 0.69 N ATOM 889 C2 A A 10 5.254 5.422 8.541 1.00 0.66 C ATOM 890 N3 A A 10 6.196 5.338 7.604 1.00 0.58 N ATOM 891 C4 A A 10 5.872 4.409 6.690 1.00 0.51 C ATOM 0 H5' A A 10 10.106 1.146 3.877 1.00 0.59 H new ATOM 0 H5'' A A 10 8.413 1.431 3.527 1.00 0.59 H new ATOM 0 H4' A A 10 10.349 3.698 3.718 1.00 0.54 H new ATOM 0 H3' A A 10 9.222 2.152 6.056 1.00 0.50 H new ATOM 0 H2' A A 10 8.648 4.205 7.202 1.00 0.50 H new ATOM 0 HO2' A A 10 10.798 5.111 6.257 1.00 0.61 H new ATOM 0 H1' A A 10 7.804 5.640 4.998 1.00 0.48 H new ATOM 0 H8 A A 10 6.186 2.565 4.059 1.00 0.45 H new ATOM 0 H61 A A 10 2.050 3.302 8.621 1.00 0.72 H new ATOM 0 H62 A A 10 2.434 2.416 7.141 1.00 0.72 H new ATOM 0 H2 A A 10 5.438 6.148 9.319 1.00 0.66 H new ATOM 903 P A A 11 11.469 2.572 7.474 1.00 0.62 P ATOM 904 OP1 A A 11 12.443 3.572 7.984 1.00 0.77 O ATOM 905 OP2 A A 11 11.846 1.136 7.434 1.00 0.65 O ATOM 906 O5' A A 11 10.124 2.708 8.318 1.00 0.58 O ATOM 907 C5' A A 11 9.920 3.822 9.208 1.00 0.56 C ATOM 908 C4' A A 11 8.586 3.693 9.907 1.00 0.49 C ATOM 909 O4' A A 11 7.565 3.457 8.907 1.00 0.46 O ATOM 910 C3' A A 11 8.478 2.510 10.853 1.00 0.47 C ATOM 911 O3' A A 11 8.958 2.884 12.151 1.00 0.51 O ATOM 912 C2' A A 11 6.982 2.209 10.850 1.00 0.43 C ATOM 913 O2' A A 11 6.261 2.996 11.778 1.00 0.47 O ATOM 914 C1' A A 11 6.568 2.602 9.431 1.00 0.42 C ATOM 915 N9 A A 11 6.446 1.464 8.520 1.00 0.41 N ATOM 916 C8 A A 11 7.369 1.019 7.608 1.00 0.46 C ATOM 917 N7 A A 11 6.966 -0.017 6.909 1.00 0.47 N ATOM 918 C5 A A 11 5.692 -0.273 7.399 1.00 0.42 C ATOM 919 C6 A A 11 4.728 -1.246 7.076 1.00 0.43 C ATOM 920 N6 A A 11 4.892 -2.190 6.140 1.00 0.49 N ATOM 921 N1 A A 11 3.565 -1.220 7.760 1.00 0.40 N ATOM 922 C2 A A 11 3.387 -0.284 8.698 1.00 0.37 C ATOM 923 N3 A A 11 4.212 0.681 9.091 1.00 0.37 N ATOM 924 C4 A A 11 5.361 0.631 8.395 1.00 0.39 C ATOM 0 H5' A A 11 9.957 4.756 8.648 1.00 0.56 H new ATOM 0 H5'' A A 11 10.723 3.860 9.944 1.00 0.56 H new ATOM 0 H4' A A 11 8.471 4.615 10.477 1.00 0.49 H new ATOM 0 H3' A A 11 9.070 1.642 10.564 1.00 0.47 H new ATOM 0 H2' A A 11 6.777 1.175 11.126 1.00 0.43 H new ATOM 0 HO2' A A 11 6.269 2.558 12.654 1.00 0.47 H new ATOM 0 H1' A A 11 5.588 3.074 9.503 1.00 0.42 H new ATOM 0 H8 A A 11 8.338 1.478 7.477 1.00 0.46 H new ATOM 0 H61 A A 11 4.148 -2.864 5.960 1.00 0.49 H new ATOM 0 H62 A A 11 5.761 -2.235 5.608 1.00 0.49 H new ATOM 0 H2 A A 11 2.436 -0.317 9.210 1.00 0.37 H new ATOM 936 P G A 12 8.406 2.142 13.473 1.00 0.56 P ATOM 937 OP1 G A 12 6.966 1.846 13.295 1.00 0.65 O ATOM 938 OP2 G A 12 8.839 2.964 14.631 1.00 0.68 O ATOM 939 O5' G A 12 9.226 0.775 13.542 1.00 0.50 O ATOM 940 C5' G A 12 8.746 -0.437 12.915 1.00 0.47 C ATOM 941 C4' G A 12 7.251 -0.564 13.077 1.00 0.42 C ATOM 942 O4' G A 12 6.656 -0.312 11.784 1.00 0.40 O ATOM 943 C3' G A 12 6.750 -1.944 13.459 1.00 0.39 C ATOM 944 O3' G A 12 6.730 -2.098 14.875 1.00 0.43 O ATOM 945 C2' G A 12 5.339 -1.966 12.878 1.00 0.35 C ATOM 946 O2' G A 12 4.382 -1.395 13.750 1.00 0.37 O ATOM 947 C1' G A 12 5.491 -1.097 11.628 1.00 0.35 C ATOM 948 N9 G A 12 5.666 -1.898 10.424 1.00 0.33 N ATOM 949 C8 G A 12 6.709 -1.825 9.535 1.00 0.36 C ATOM 950 N7 G A 12 6.591 -2.660 8.539 1.00 0.36 N ATOM 951 C5 G A 12 5.400 -3.327 8.790 1.00 0.33 C ATOM 952 C6 G A 12 4.749 -4.345 8.054 1.00 0.36 C ATOM 953 O6 G A 12 5.109 -4.879 7.000 1.00 0.40 O ATOM 954 N1 G A 12 3.559 -4.738 8.660 1.00 0.36 N ATOM 955 C2 G A 12 3.065 -4.216 9.830 1.00 0.34 C ATOM 956 N2 G A 12 1.901 -4.729 10.260 1.00 0.37 N ATOM 957 N3 G A 12 3.663 -3.264 10.527 1.00 0.31 N ATOM 958 C4 G A 12 4.818 -2.868 9.952 1.00 0.31 C ATOM 0 H5' G A 12 9.240 -1.302 13.358 1.00 0.47 H new ATOM 0 H5'' G A 12 9.003 -0.431 11.856 1.00 0.47 H new ATOM 0 H4' G A 12 6.986 0.129 13.875 1.00 0.42 H new ATOM 0 H3' G A 12 7.376 -2.755 13.087 1.00 0.39 H new ATOM 0 H2' G A 12 4.982 -2.979 12.693 1.00 0.35 H new ATOM 0 HO2' G A 12 4.768 -1.307 14.646 1.00 0.37 H new ATOM 0 H1' G A 12 4.588 -0.496 11.520 1.00 0.35 H new ATOM 0 H8 G A 12 7.542 -1.146 9.648 1.00 0.36 H new ATOM 0 H1 G A 12 3.014 -5.468 8.201 1.00 0.36 H new ATOM 0 H21 G A 12 1.480 -4.385 11.123 1.00 0.37 H new ATOM 0 H22 G A 12 1.438 -5.463 9.724 1.00 0.37 H new ATOM 970 P G A 13 7.546 -3.304 15.556 1.00 0.51 P ATOM 971 OP1 G A 13 7.898 -2.904 16.942 1.00 0.57 O ATOM 972 OP2 G A 13 8.622 -3.702 14.613 1.00 0.59 O ATOM 973 O5' G A 13 6.490 -4.493 15.631 1.00 0.57 O ATOM 974 C5' G A 13 5.226 -4.316 16.294 1.00 0.62 C ATOM 975 C4' G A 13 4.199 -5.258 15.722 1.00 0.60 C ATOM 976 O4' G A 13 3.963 -4.887 14.342 1.00 0.59 O ATOM 977 C3' G A 13 4.656 -6.700 15.619 1.00 0.59 C ATOM 978 O3' G A 13 4.473 -7.399 16.857 1.00 0.66 O ATOM 979 C2' G A 13 3.768 -7.254 14.510 1.00 0.57 C ATOM 980 O2' G A 13 2.519 -7.738 14.958 1.00 0.63 O ATOM 981 C1' G A 13 3.553 -6.031 13.617 1.00 0.54 C ATOM 982 N9 G A 13 4.329 -6.108 12.384 1.00 0.50 N ATOM 983 C8 G A 13 5.433 -5.369 12.033 1.00 0.54 C ATOM 984 N7 G A 13 5.901 -5.681 10.855 1.00 0.56 N ATOM 985 C5 G A 13 5.056 -6.685 10.404 1.00 0.50 C ATOM 986 C6 G A 13 5.062 -7.420 9.189 1.00 0.53 C ATOM 987 O6 G A 13 5.844 -7.327 8.235 1.00 0.60 O ATOM 988 N1 G A 13 4.024 -8.347 9.142 1.00 0.51 N ATOM 989 C2 G A 13 3.099 -8.538 10.141 1.00 0.48 C ATOM 990 N2 G A 13 2.170 -9.478 9.917 1.00 0.52 N ATOM 991 N3 G A 13 3.083 -7.862 11.274 1.00 0.47 N ATOM 992 C4 G A 13 4.082 -6.959 11.337 1.00 0.47 C ATOM 0 H5' G A 13 4.889 -3.286 16.179 1.00 0.62 H new ATOM 0 H5'' G A 13 5.340 -4.497 17.363 1.00 0.62 H new ATOM 0 H4' G A 13 3.342 -5.185 16.392 1.00 0.60 H new ATOM 0 H3' G A 13 5.719 -6.805 15.404 1.00 0.59 H new ATOM 0 H2' G A 13 4.232 -8.114 14.027 1.00 0.57 H new ATOM 0 HO2' G A 13 2.028 -7.015 15.402 1.00 0.63 H new ATOM 0 H1' G A 13 2.499 -5.983 13.342 1.00 0.54 H new ATOM 0 H8 G A 13 5.868 -4.609 12.666 1.00 0.54 H new ATOM 0 H1 G A 13 3.944 -8.926 8.306 1.00 0.51 H new ATOM 0 H21 G A 13 1.456 -9.667 10.620 1.00 0.52 H new ATOM 0 H22 G A 13 2.177 -10.004 9.043 1.00 0.52 H new ATOM 1004 P G A 14 2.993 -7.664 17.435 1.00 0.74 P ATOM 1005 OP1 G A 14 2.090 -6.626 16.877 1.00 0.80 O ATOM 1006 OP2 G A 14 3.098 -7.827 18.907 1.00 0.90 O ATOM 1007 O5' G A 14 2.577 -9.073 16.815 1.00 0.68 O ATOM 1008 C5' G A 14 1.190 -9.403 16.596 1.00 0.70 C ATOM 1009 C4' G A 14 1.066 -10.766 15.950 1.00 0.68 C ATOM 1010 O4' G A 14 1.051 -10.602 14.509 1.00 0.67 O ATOM 1011 C3' G A 14 2.238 -11.701 16.178 1.00 0.67 C ATOM 1012 O3' G A 14 2.121 -12.380 17.424 1.00 0.77 O ATOM 1013 C2' G A 14 2.110 -12.672 15.010 1.00 0.67 C ATOM 1014 O2' G A 14 1.171 -13.701 15.253 1.00 0.80 O ATOM 1015 C1' G A 14 1.594 -11.759 13.894 1.00 0.61 C ATOM 1016 N9 G A 14 2.670 -11.337 13.005 1.00 0.50 N ATOM 1017 C8 G A 14 3.503 -10.261 13.181 1.00 0.50 C ATOM 1018 N7 G A 14 4.388 -10.137 12.229 1.00 0.47 N ATOM 1019 C5 G A 14 4.122 -11.196 11.373 1.00 0.41 C ATOM 1020 C6 G A 14 4.758 -11.578 10.166 1.00 0.40 C ATOM 1021 O6 G A 14 5.712 -11.035 9.599 1.00 0.45 O ATOM 1022 N1 G A 14 4.175 -12.717 9.612 1.00 0.41 N ATOM 1023 C2 G A 14 3.111 -13.395 10.161 1.00 0.46 C ATOM 1024 N2 G A 14 2.685 -14.470 9.483 1.00 0.55 N ATOM 1025 N3 G A 14 2.510 -13.047 11.288 1.00 0.49 N ATOM 1026 C4 G A 14 3.063 -11.946 11.836 1.00 0.44 C ATOM 0 H5' G A 14 0.727 -8.649 15.960 1.00 0.70 H new ATOM 0 H5'' G A 14 0.653 -9.393 17.545 1.00 0.70 H new ATOM 0 H4' G A 14 0.165 -11.190 16.394 1.00 0.68 H new ATOM 0 H3' G A 14 3.200 -11.191 16.221 1.00 0.67 H new ATOM 0 H2' G A 14 3.046 -13.188 14.796 1.00 0.67 H new ATOM 0 HO2' G A 14 1.240 -14.380 14.550 1.00 0.80 H new ATOM 0 H1' G A 14 0.856 -12.302 13.304 1.00 0.61 H new ATOM 0 H8 G A 14 3.434 -9.586 14.021 1.00 0.50 H new ATOM 0 H1 G A 14 4.564 -13.072 8.739 1.00 0.41 H new ATOM 0 H21 G A 14 1.900 -15.017 9.836 1.00 0.55 H new ATOM 0 H22 G A 14 3.146 -14.741 8.614 1.00 0.55 H new ATOM 1038 P C A 15 3.402 -13.124 18.044 1.00 0.87 P ATOM 1039 OP1 C A 15 2.986 -13.728 19.335 1.00 0.91 O ATOM 1040 OP2 C A 15 4.551 -12.183 18.010 1.00 1.02 O ATOM 1041 O5' C A 15 3.692 -14.305 17.015 1.00 0.85 O ATOM 1042 C5' C A 15 2.760 -15.390 16.861 1.00 0.94 C ATOM 1043 C4' C A 15 3.214 -16.325 15.763 1.00 0.97 C ATOM 1044 O4' C A 15 3.234 -15.614 14.501 1.00 0.84 O ATOM 1045 C3' C A 15 4.641 -16.825 15.898 1.00 1.09 C ATOM 1046 O3' C A 15 4.704 -17.956 16.776 1.00 1.31 O ATOM 1047 C2' C A 15 4.991 -17.225 14.468 1.00 1.09 C ATOM 1048 O2' C A 15 4.605 -18.551 14.158 1.00 1.30 O ATOM 1049 C1' C A 15 4.174 -16.232 13.640 1.00 0.89 C ATOM 1050 N1 C A 15 5.020 -15.192 13.038 1.00 0.75 N ATOM 1051 C2 C A 15 5.752 -15.512 11.890 1.00 0.77 C ATOM 1052 O2 C A 15 5.653 -16.650 11.412 1.00 0.89 O ATOM 1053 N3 C A 15 6.547 -14.579 11.333 1.00 0.70 N ATOM 1054 C4 C A 15 6.630 -13.368 11.873 1.00 0.66 C ATOM 1055 N4 C A 15 7.429 -12.490 11.281 1.00 0.71 N ATOM 1056 C5 C A 15 5.895 -13.009 13.040 1.00 0.64 C ATOM 1057 C6 C A 15 5.108 -13.943 13.588 1.00 0.66 C ATOM 0 H5' C A 15 1.771 -14.997 16.626 1.00 0.94 H new ATOM 0 H5'' C A 15 2.671 -15.937 17.799 1.00 0.94 H new ATOM 0 H4' C A 15 2.515 -17.159 15.823 1.00 0.97 H new ATOM 0 H3' C A 15 5.323 -16.087 16.321 1.00 1.09 H new ATOM 0 H2' C A 15 6.065 -17.199 14.285 1.00 1.09 H new ATOM 0 HO2' C A 15 4.419 -19.040 14.987 1.00 1.30 H new ATOM 0 HO3' C A 15 5.632 -18.263 16.848 1.00 1.31 H new ATOM 0 H1' C A 15 3.685 -16.774 12.830 1.00 0.89 H new ATOM 0 H41 C A 15 7.523 -11.548 11.662 1.00 0.71 H new ATOM 0 H42 C A 15 7.949 -12.757 10.445 1.00 0.71 H new ATOM 0 H5 C A 15 5.970 -12.020 13.467 1.00 0.64 H new ATOM 0 H6 C A 15 4.537 -13.708 14.474 1.00 0.66 H new TER 1069 C A 15