USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 556 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 Set 1.1: A 11 SER OG : rot 5:sc= 0.306 USER MOD Set 1.2: A 15 THR OG1 : rot 42:sc= 0.748 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -86:sc= 0.782 USER MOD Single : A 21 SER OG : rot -31:sc= 0.856 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 37 SER OG : rot -170:sc= -0.31 USER MOD Single : A 40 THR OG1 : rot -65:sc= 0.343 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.914 K(o=-0.91,f=-2.1) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -3.53! C(o=-3.5!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 54 N PRO A 4 -2.272 7.059 -2.438 1.00 0.00 N ATOM 55 CA PRO A 4 -3.041 7.024 -1.159 1.00 0.00 C ATOM 56 C PRO A 4 -2.910 8.341 -0.397 1.00 0.00 C ATOM 57 O PRO A 4 -2.338 8.384 0.690 1.00 0.00 O ATOM 58 CB PRO A 4 -2.388 5.867 -0.396 1.00 0.00 C ATOM 59 CG PRO A 4 -0.968 5.870 -0.863 1.00 0.00 C ATOM 60 CD PRO A 4 -1.011 6.301 -2.333 1.00 0.00 C ATOM 0 HA PRO A 4 -4.113 6.888 -1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.452 6.015 0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.877 4.918 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.364 6.558 -0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -0.520 4.882 -0.759 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.151 6.917 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.004 5.441 -3.003 1.00 0.00 H new ATOM 68 N LYS A 5 -3.448 9.410 -0.969 1.00 0.00 N ATOM 69 CA LYS A 5 -3.395 10.719 -0.331 1.00 0.00 C ATOM 70 C LYS A 5 -4.429 10.861 0.784 1.00 0.00 C ATOM 71 O LYS A 5 -4.113 11.215 1.916 1.00 0.00 O ATOM 72 CB LYS A 5 -3.663 11.792 -1.387 1.00 0.00 C ATOM 73 CG LYS A 5 -2.492 11.847 -2.369 1.00 0.00 C ATOM 74 CD LYS A 5 -2.770 12.905 -3.439 1.00 0.00 C ATOM 75 CE LYS A 5 -1.591 12.967 -4.414 1.00 0.00 C ATOM 76 NZ LYS A 5 -1.869 13.985 -5.465 1.00 0.00 N ATOM 0 H LYS A 5 -3.925 9.397 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.406 10.834 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.588 11.570 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.796 12.762 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.570 12.085 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.349 10.872 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.687 12.663 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.922 13.878 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.676 13.221 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.432 11.991 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.068 14.028 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.733 13.723 -5.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.000 14.916 -5.020 1.00 0.00 H new ATOM 90 N THR A 6 -5.664 10.515 0.425 1.00 0.00 N ATOM 91 CA THR A 6 -6.803 10.517 1.346 1.00 0.00 C ATOM 92 C THR A 6 -6.820 9.245 2.204 1.00 0.00 C ATOM 93 O THR A 6 -7.256 9.239 3.356 1.00 0.00 O ATOM 94 CB THR A 6 -8.110 10.618 0.556 1.00 0.00 C ATOM 95 OG1 THR A 6 -8.219 9.502 -0.317 1.00 0.00 O ATOM 96 CG2 THR A 6 -8.120 11.911 -0.261 1.00 0.00 C ATOM 0 H THR A 6 -5.906 10.222 -0.522 1.00 0.00 H new ATOM 0 HA THR A 6 -6.704 11.379 2.006 1.00 0.00 H new ATOM 0 HB THR A 6 -8.953 10.625 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.056 9.563 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.052 11.980 -0.822 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.037 12.766 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.279 11.910 -0.954 1.00 0.00 H new ATOM 104 N LEU A 7 -6.295 8.194 1.601 1.00 0.00 N ATOM 105 CA LEU A 7 -6.191 6.902 2.285 1.00 0.00 C ATOM 106 C LEU A 7 -5.256 7.033 3.498 1.00 0.00 C ATOM 107 O LEU A 7 -5.550 6.545 4.588 1.00 0.00 O ATOM 108 CB LEU A 7 -5.678 5.812 1.334 1.00 0.00 C ATOM 109 CG LEU A 7 -6.751 5.484 0.276 1.00 0.00 C ATOM 110 CD1 LEU A 7 -6.171 4.507 -0.760 1.00 0.00 C ATOM 111 CD2 LEU A 7 -7.994 4.854 0.944 1.00 0.00 C ATOM 0 H LEU A 7 -5.934 8.201 0.647 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.185 6.609 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.764 6.147 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.427 4.914 1.899 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.050 6.408 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.930 4.276 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.309 4.963 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.862 3.589 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.741 4.629 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.706 3.934 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.412 5.554 1.667 1.00 0.00 H new ATOM 123 N LEU A 8 -4.148 7.727 3.288 1.00 0.00 N ATOM 124 CA LEU A 8 -3.126 8.025 4.300 1.00 0.00 C ATOM 125 C LEU A 8 -3.529 9.179 5.238 1.00 0.00 C ATOM 126 O LEU A 8 -3.029 9.316 6.354 1.00 0.00 O ATOM 127 CB LEU A 8 -1.812 8.387 3.586 1.00 0.00 C ATOM 128 CG LEU A 8 -0.611 8.381 4.577 1.00 0.00 C ATOM 129 CD1 LEU A 8 0.634 7.801 3.892 1.00 0.00 C ATOM 130 CD2 LEU A 8 -0.291 9.814 5.035 1.00 0.00 C ATOM 0 H LEU A 8 -3.920 8.117 2.374 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.008 7.136 4.919 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.625 7.677 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.904 9.372 3.128 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.883 7.770 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.468 7.801 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.430 6.780 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.889 8.410 3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.551 9.795 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.035 10.424 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.162 10.240 5.534 1.00 0.00 H new ATOM 142 N ARG A 9 -4.435 10.000 4.721 1.00 0.00 N ATOM 143 CA ARG A 9 -4.942 11.183 5.436 1.00 0.00 C ATOM 144 C ARG A 9 -5.789 10.838 6.666 1.00 0.00 C ATOM 145 O ARG A 9 -5.775 11.566 7.657 1.00 0.00 O ATOM 146 CB ARG A 9 -5.780 12.056 4.498 1.00 0.00 C ATOM 147 CG ARG A 9 -6.280 13.331 5.205 1.00 0.00 C ATOM 148 CD ARG A 9 -5.106 14.147 5.764 1.00 0.00 C ATOM 149 NE ARG A 9 -5.541 15.478 6.170 1.00 0.00 N ATOM 150 CZ ARG A 9 -4.698 16.300 6.786 1.00 0.00 C ATOM 151 NH1 ARG A 9 -3.465 15.928 7.000 1.00 0.00 N ATOM 152 NH2 ARG A 9 -5.101 17.477 7.177 1.00 0.00 N ATOM 0 H ARG A 9 -4.844 9.872 3.795 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.058 11.719 5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.184 12.332 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.633 11.484 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.850 13.940 4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.957 13.060 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.671 13.627 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.324 14.231 5.009 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.497 15.780 5.980 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.150 15.007 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.817 16.558 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.064 17.768 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.453 18.107 7.650 1.00 0.00 H new ATOM 166 N VAL A 10 -6.549 9.755 6.591 1.00 0.00 N ATOM 167 CA VAL A 10 -7.415 9.361 7.703 1.00 0.00 C ATOM 168 C VAL A 10 -6.645 8.809 8.905 1.00 0.00 C ATOM 169 O VAL A 10 -7.086 9.009 10.036 1.00 0.00 O ATOM 170 CB VAL A 10 -8.462 8.348 7.235 1.00 0.00 C ATOM 171 CG1 VAL A 10 -9.402 9.018 6.231 1.00 0.00 C ATOM 172 CG2 VAL A 10 -7.768 7.165 6.563 1.00 0.00 C ATOM 0 H VAL A 10 -6.587 9.136 5.782 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.911 10.271 8.041 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.032 7.994 8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.149 8.298 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.900 9.863 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.828 9.371 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.516 6.445 6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.197 7.518 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.095 6.686 7.274 1.00 0.00 H new ATOM 182 N SER A 11 -5.510 8.142 8.719 1.00 0.00 N ATOM 183 CA SER A 11 -4.781 7.642 9.886 1.00 0.00 C ATOM 184 C SER A 11 -4.189 8.794 10.707 1.00 0.00 C ATOM 185 O SER A 11 -4.405 8.859 11.892 1.00 0.00 O ATOM 186 CB SER A 11 -3.662 6.703 9.435 1.00 0.00 C ATOM 187 OG SER A 11 -2.965 6.217 10.574 1.00 0.00 O ATOM 0 H SER A 11 -5.087 7.940 7.813 1.00 0.00 H new ATOM 0 HA SER A 11 -5.484 7.099 10.518 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.078 5.871 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.975 7.230 8.772 1.00 0.00 H new ATOM 0 HG SER A 11 -3.407 6.535 11.389 1.00 0.00 H new ATOM 193 N ILE A 12 -3.433 9.675 10.093 1.00 0.00 N ATOM 194 CA ILE A 12 -2.817 10.765 10.869 1.00 0.00 C ATOM 195 C ILE A 12 -3.890 11.542 11.673 1.00 0.00 C ATOM 196 O ILE A 12 -3.752 11.819 12.859 1.00 0.00 O ATOM 197 CB ILE A 12 -2.062 11.713 9.927 1.00 0.00 C ATOM 198 CG1 ILE A 12 -1.411 12.833 10.741 1.00 0.00 C ATOM 199 CG2 ILE A 12 -3.013 12.314 8.903 1.00 0.00 C ATOM 200 CD1 ILE A 12 -0.415 13.602 9.868 1.00 0.00 C ATOM 0 H ILE A 12 -3.225 9.675 9.094 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.111 10.333 11.578 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.293 11.147 9.402 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.176 13.511 11.119 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.900 12.414 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.461 12.984 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.465 11.516 8.314 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.795 12.874 9.417 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.044 14.398 10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.358 12.921 9.512 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.938 14.035 9.015 1.00 0.00 H new ATOM 212 N ILE A 13 -4.963 11.816 10.966 1.00 0.00 N ATOM 213 CA ILE A 13 -6.125 12.511 11.560 1.00 0.00 C ATOM 214 C ILE A 13 -6.717 11.713 12.757 1.00 0.00 C ATOM 215 O ILE A 13 -7.006 12.288 13.807 1.00 0.00 O ATOM 216 CB ILE A 13 -7.231 12.802 10.525 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.763 13.907 9.569 1.00 0.00 C ATOM 218 CG2 ILE A 13 -8.516 13.253 11.243 1.00 0.00 C ATOM 219 CD1 ILE A 13 -7.765 14.070 8.423 1.00 0.00 C ATOM 0 H ILE A 13 -5.073 11.577 9.981 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.750 13.467 11.925 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.437 11.894 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.661 14.848 10.110 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.779 13.661 9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.292 13.457 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.853 12.464 11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.314 14.158 11.816 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.424 14.857 7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.845 13.132 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.741 14.337 8.828 1.00 0.00 H new ATOM 231 N GLY A 14 -6.817 10.397 12.612 1.00 0.00 N ATOM 232 CA GLY A 14 -7.289 9.538 13.727 1.00 0.00 C ATOM 233 C GLY A 14 -6.122 9.201 14.686 1.00 0.00 C ATOM 234 O GLY A 14 -6.205 9.319 15.909 1.00 0.00 O ATOM 0 H GLY A 14 -6.586 9.894 11.755 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.082 10.047 14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.717 8.618 13.329 1.00 0.00 H new ATOM 238 N THR A 15 -5.079 8.729 14.041 1.00 0.00 N ATOM 239 CA THR A 15 -3.835 8.268 14.683 1.00 0.00 C ATOM 240 C THR A 15 -3.177 9.340 15.556 1.00 0.00 C ATOM 241 O THR A 15 -2.521 9.006 16.544 1.00 0.00 O ATOM 242 CB THR A 15 -2.819 7.776 13.646 1.00 0.00 C ATOM 243 OG1 THR A 15 -3.428 6.803 12.813 1.00 0.00 O ATOM 244 CG2 THR A 15 -1.623 7.146 14.365 1.00 0.00 C ATOM 0 H THR A 15 -5.057 8.646 13.025 1.00 0.00 H new ATOM 0 HA THR A 15 -4.132 7.442 15.330 1.00 0.00 H new ATOM 0 HB THR A 15 -2.482 8.617 13.041 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.334 7.094 12.579 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.899 6.795 13.629 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.154 7.889 15.010 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.963 6.305 14.969 1.00 0.00 H new ATOM 252 N THR A 16 -3.361 10.618 15.236 1.00 0.00 N ATOM 253 CA THR A 16 -2.790 11.694 16.050 1.00 0.00 C ATOM 254 C THR A 16 -3.599 11.945 17.319 1.00 0.00 C ATOM 255 O THR A 16 -3.066 12.410 18.327 1.00 0.00 O ATOM 256 CB THR A 16 -2.688 12.997 15.251 1.00 0.00 C ATOM 257 OG1 THR A 16 -3.946 13.296 14.662 1.00 0.00 O ATOM 258 CG2 THR A 16 -1.609 12.868 14.168 1.00 0.00 C ATOM 0 H THR A 16 -3.895 10.935 14.427 1.00 0.00 H new ATOM 0 HA THR A 16 -1.791 11.366 16.337 1.00 0.00 H new ATOM 0 HB THR A 16 -2.409 13.809 15.922 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.025 12.829 13.804 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.545 13.800 13.606 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.647 12.659 14.636 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.868 12.053 13.492 1.00 0.00 H new ATOM 266 N LEU A 17 -4.902 11.689 17.241 1.00 0.00 N ATOM 267 CA LEU A 17 -5.841 11.928 18.332 1.00 0.00 C ATOM 268 C LEU A 17 -5.769 10.936 19.493 1.00 0.00 C ATOM 269 O LEU A 17 -6.146 11.298 20.607 1.00 0.00 O ATOM 270 CB LEU A 17 -7.265 11.952 17.755 1.00 0.00 C ATOM 271 CG LEU A 17 -8.299 12.329 18.834 1.00 0.00 C ATOM 272 CD1 LEU A 17 -8.003 13.735 19.390 1.00 0.00 C ATOM 273 CD2 LEU A 17 -9.703 12.305 18.207 1.00 0.00 C ATOM 0 H LEU A 17 -5.341 11.304 16.405 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.557 12.885 18.769 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.315 12.667 16.934 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.509 10.974 17.341 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.244 11.613 19.654 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.741 13.988 20.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.007 13.749 19.832 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.052 14.464 18.581 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.443 12.570 18.962 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.748 13.022 17.387 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.915 11.306 17.827 1.00 0.00 H new ATOM 285 N VAL A 18 -5.347 9.694 19.284 1.00 0.00 N ATOM 286 CA VAL A 18 -5.354 8.778 20.419 1.00 0.00 C ATOM 287 C VAL A 18 -4.435 9.312 21.517 1.00 0.00 C ATOM 288 O VAL A 18 -4.812 9.411 22.684 1.00 0.00 O ATOM 289 CB VAL A 18 -4.884 7.389 19.971 1.00 0.00 C ATOM 290 CG1 VAL A 18 -4.693 6.484 21.194 1.00 0.00 C ATOM 291 CG2 VAL A 18 -5.936 6.777 19.042 1.00 0.00 C ATOM 0 H VAL A 18 -5.015 9.314 18.398 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.368 8.698 20.810 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.935 7.481 19.443 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.359 5.499 20.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.945 6.920 21.856 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.639 6.389 21.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.607 5.789 18.720 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.883 6.689 19.574 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.068 7.417 18.170 1.00 0.00 H new ATOM 301 N ALA A 19 -3.205 9.612 21.108 1.00 0.00 N ATOM 302 CA ALA A 19 -2.163 10.096 22.009 1.00 0.00 C ATOM 303 C ALA A 19 -2.544 11.395 22.719 1.00 0.00 C ATOM 304 O ALA A 19 -2.138 11.627 23.858 1.00 0.00 O ATOM 305 CB ALA A 19 -0.874 10.322 21.215 1.00 0.00 C ATOM 0 H ALA A 19 -2.902 9.526 20.138 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.025 9.335 22.777 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.093 10.684 21.884 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.557 9.383 20.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.053 11.061 20.434 1.00 0.00 H new ATOM 311 N LEU A 20 -3.326 12.233 22.053 1.00 0.00 N ATOM 312 CA LEU A 20 -3.743 13.496 22.661 1.00 0.00 C ATOM 313 C LEU A 20 -4.686 13.216 23.838 1.00 0.00 C ATOM 314 O LEU A 20 -4.530 13.796 24.912 1.00 0.00 O ATOM 315 CB LEU A 20 -4.416 14.400 21.614 1.00 0.00 C ATOM 316 CG LEU A 20 -4.265 15.884 21.992 1.00 0.00 C ATOM 317 CD1 LEU A 20 -4.753 16.748 20.825 1.00 0.00 C ATOM 318 CD2 LEU A 20 -5.086 16.208 23.254 1.00 0.00 C ATOM 0 H LEU A 20 -3.680 12.070 21.111 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.865 14.021 23.038 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.971 14.223 20.635 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.473 14.147 21.534 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.216 16.094 22.200 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.650 17.802 21.084 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.157 16.532 19.938 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.800 16.526 20.621 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.966 17.262 23.505 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.139 15.997 23.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.735 15.595 24.084 1.00 0.00 H new ATOM 330 N SER A 21 -5.641 12.312 23.653 1.00 0.00 N ATOM 331 CA SER A 21 -6.560 11.973 24.739 1.00 0.00 C ATOM 332 C SER A 21 -5.852 11.091 25.768 1.00 0.00 C ATOM 333 O SER A 21 -6.343 10.876 26.867 1.00 0.00 O ATOM 334 CB SER A 21 -7.778 11.234 24.182 1.00 0.00 C ATOM 335 OG SER A 21 -7.383 9.942 23.744 1.00 0.00 O ATOM 0 H SER A 21 -5.800 11.808 22.781 1.00 0.00 H new ATOM 0 HA SER A 21 -6.888 12.894 25.221 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.549 11.151 24.948 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.211 11.795 23.354 1.00 0.00 H new ATOM 0 HG SER A 21 -6.456 9.973 23.428 1.00 0.00 H new ATOM 341 N SER A 22 -4.728 10.537 25.349 1.00 0.00 N ATOM 342 CA SER A 22 -3.951 9.625 26.191 1.00 0.00 C ATOM 343 C SER A 22 -3.114 10.367 27.245 1.00 0.00 C ATOM 344 O SER A 22 -2.674 9.786 28.237 1.00 0.00 O ATOM 345 CB SER A 22 -2.988 8.837 25.303 1.00 0.00 C ATOM 346 OG SER A 22 -2.496 7.716 26.026 1.00 0.00 O ATOM 0 H SER A 22 -4.326 10.700 24.426 1.00 0.00 H new ATOM 0 HA SER A 22 -4.659 8.977 26.708 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.497 8.506 24.398 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.161 9.474 24.989 1.00 0.00 H new ATOM 0 HG SER A 22 -1.879 7.207 25.460 1.00 0.00 H new ATOM 352 N PHE A 23 -2.901 11.663 26.992 1.00 0.00 N ATOM 353 CA PHE A 23 -2.100 12.478 27.930 1.00 0.00 C ATOM 354 C PHE A 23 -2.925 13.032 29.120 1.00 0.00 C ATOM 355 O PHE A 23 -2.401 13.059 30.234 1.00 0.00 O ATOM 356 CB PHE A 23 -1.363 13.614 27.167 1.00 0.00 C ATOM 357 CG PHE A 23 0.141 13.403 27.251 1.00 0.00 C ATOM 358 CD1 PHE A 23 0.803 13.661 28.458 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.860 12.933 26.145 1.00 0.00 C ATOM 360 CE1 PHE A 23 2.184 13.449 28.558 1.00 0.00 C ATOM 361 CE2 PHE A 23 2.240 12.721 26.246 1.00 0.00 C ATOM 362 CZ PHE A 23 2.901 12.979 27.452 1.00 0.00 C ATOM 0 H PHE A 23 -3.255 12.163 26.176 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.358 11.814 28.373 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.679 13.628 26.124 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.628 14.582 27.593 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.249 14.023 29.311 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.350 12.734 25.214 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.695 13.648 29.488 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.794 12.358 25.393 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.966 12.815 27.529 1.00 0.00 H new ATOM 372 N THR A 24 -4.158 13.517 28.933 1.00 0.00 N ATOM 373 CA THR A 24 -4.911 14.094 30.068 1.00 0.00 C ATOM 374 C THR A 24 -5.358 13.078 31.138 1.00 0.00 C ATOM 375 O THR A 24 -5.414 13.410 32.322 1.00 0.00 O ATOM 376 CB THR A 24 -6.147 14.853 29.551 1.00 0.00 C ATOM 377 OG1 THR A 24 -7.255 13.970 29.463 1.00 0.00 O ATOM 378 CG2 THR A 24 -5.853 15.438 28.168 1.00 0.00 C ATOM 0 H THR A 24 -4.649 13.526 28.039 1.00 0.00 H new ATOM 0 HA THR A 24 -4.207 14.765 30.561 1.00 0.00 H new ATOM 0 HB THR A 24 -6.383 15.660 30.245 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.038 14.459 29.135 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.730 15.974 27.806 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.010 16.125 28.235 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.609 14.632 27.476 1.00 0.00 H new ATOM 386 N PRO A 25 -5.743 11.892 30.743 1.00 0.00 N ATOM 387 CA PRO A 25 -6.280 10.836 31.665 1.00 0.00 C ATOM 388 C PRO A 25 -5.464 10.612 32.936 1.00 0.00 C ATOM 389 O PRO A 25 -6.006 10.136 33.927 1.00 0.00 O ATOM 390 CB PRO A 25 -6.304 9.582 30.789 1.00 0.00 C ATOM 391 CG PRO A 25 -6.518 10.112 29.416 1.00 0.00 C ATOM 392 CD PRO A 25 -5.709 11.405 29.359 1.00 0.00 C ATOM 0 HA PRO A 25 -7.254 11.128 32.059 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -5.370 9.025 30.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.104 8.903 31.085 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.180 9.402 28.662 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.575 10.299 29.226 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.688 11.225 29.022 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.150 12.125 28.669 1.00 0.00 H new ATOM 400 N VAL A 26 -4.188 10.964 32.938 1.00 0.00 N ATOM 401 CA VAL A 26 -3.390 10.782 34.150 1.00 0.00 C ATOM 402 C VAL A 26 -4.027 11.551 35.311 1.00 0.00 C ATOM 403 O VAL A 26 -4.006 11.086 36.450 1.00 0.00 O ATOM 404 CB VAL A 26 -1.964 11.283 33.922 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.314 10.485 32.789 1.00 0.00 C ATOM 406 CG2 VAL A 26 -2.001 12.766 33.544 1.00 0.00 C ATOM 0 H VAL A 26 -3.691 11.365 32.143 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.358 9.720 34.394 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.384 11.153 34.835 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.297 10.844 32.628 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.288 9.429 33.056 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.893 10.614 31.875 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.985 13.125 33.381 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.582 12.894 32.631 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.462 13.336 34.351 1.00 0.00 H new ATOM 416 N LEU A 27 -4.550 12.741 35.033 1.00 0.00 N ATOM 417 CA LEU A 27 -5.141 13.593 36.067 1.00 0.00 C ATOM 418 C LEU A 27 -6.163 12.854 36.939 1.00 0.00 C ATOM 419 O LEU A 27 -6.391 13.230 38.089 1.00 0.00 O ATOM 420 CB LEU A 27 -5.856 14.766 35.389 1.00 0.00 C ATOM 421 CG LEU A 27 -4.855 15.619 34.593 1.00 0.00 C ATOM 422 CD1 LEU A 27 -5.619 16.702 33.821 1.00 0.00 C ATOM 423 CD2 LEU A 27 -3.838 16.285 35.544 1.00 0.00 C ATOM 0 H LEU A 27 -4.578 13.142 34.095 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.328 13.925 36.713 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.633 14.390 34.723 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.351 15.382 36.140 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.314 14.977 33.898 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.914 17.310 33.254 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.325 16.231 33.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.162 17.335 34.523 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.137 16.885 34.964 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.366 16.925 36.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.292 15.515 36.090 1.00 0.00 H new ATOM 435 N VAL A 28 -6.784 11.816 36.388 1.00 0.00 N ATOM 436 CA VAL A 28 -7.791 11.037 37.114 1.00 0.00 C ATOM 437 C VAL A 28 -7.158 10.208 38.233 1.00 0.00 C ATOM 438 O VAL A 28 -7.787 9.933 39.255 1.00 0.00 O ATOM 439 CB VAL A 28 -8.546 10.109 36.141 1.00 0.00 C ATOM 440 CG1 VAL A 28 -7.703 8.856 35.810 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.879 9.683 36.772 1.00 0.00 C ATOM 0 H VAL A 28 -6.609 11.491 35.437 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.492 11.739 37.567 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.732 10.653 35.215 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.256 8.217 35.122 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.765 9.161 35.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.493 8.306 36.727 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.414 9.027 36.085 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.687 9.153 37.705 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.484 10.566 36.975 1.00 0.00 H new ATOM 451 N ILE A 29 -5.909 9.817 38.018 1.00 0.00 N ATOM 452 CA ILE A 29 -5.173 9.020 38.993 1.00 0.00 C ATOM 453 C ILE A 29 -5.043 9.758 40.326 1.00 0.00 C ATOM 454 O ILE A 29 -5.176 9.138 41.379 1.00 0.00 O ATOM 455 CB ILE A 29 -3.785 8.668 38.444 1.00 0.00 C ATOM 456 CG1 ILE A 29 -3.934 7.694 37.272 1.00 0.00 C ATOM 457 CG2 ILE A 29 -2.940 8.008 39.541 1.00 0.00 C ATOM 458 CD1 ILE A 29 -2.595 7.561 36.545 1.00 0.00 C ATOM 0 H ILE A 29 -5.382 10.039 37.174 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.731 8.101 39.171 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.293 9.581 38.108 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.261 6.720 37.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.700 8.051 36.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.956 7.761 39.143 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.830 8.696 40.379 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.433 7.097 39.881 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.701 6.868 35.711 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.287 8.537 36.169 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.841 7.184 37.236 1.00 0.00 H new ATOM 470 N LEU A 30 -4.769 11.059 40.309 1.00 0.00 N ATOM 471 CA LEU A 30 -4.619 11.779 41.571 1.00 0.00 C ATOM 472 C LEU A 30 -5.875 11.646 42.430 1.00 0.00 C ATOM 473 O LEU A 30 -5.770 11.325 43.613 1.00 0.00 O ATOM 474 CB LEU A 30 -4.340 13.261 41.300 1.00 0.00 C ATOM 475 CG LEU A 30 -2.930 13.438 40.712 1.00 0.00 C ATOM 476 CD1 LEU A 30 -2.775 14.880 40.220 1.00 0.00 C ATOM 477 CD2 LEU A 30 -1.856 13.139 41.778 1.00 0.00 C ATOM 0 H LEU A 30 -4.649 11.622 39.467 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.780 11.341 42.112 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.083 13.658 40.608 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.430 13.830 42.225 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.799 12.742 39.884 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.778 15.016 39.801 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.522 15.085 39.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.914 15.566 41.055 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.865 13.270 41.343 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.977 13.823 42.618 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.966 12.112 42.128 1.00 0.00 H new ATOM 489 N LEU A 31 -7.057 11.917 41.890 1.00 0.00 N ATOM 490 CA LEU A 31 -8.261 11.832 42.710 1.00 0.00 C ATOM 491 C LEU A 31 -8.377 10.441 43.334 1.00 0.00 C ATOM 492 O LEU A 31 -8.723 10.285 44.505 1.00 0.00 O ATOM 493 CB LEU A 31 -9.493 12.084 41.823 1.00 0.00 C ATOM 494 CG LEU A 31 -9.653 13.585 41.554 1.00 0.00 C ATOM 495 CD1 LEU A 31 -8.421 14.115 40.816 1.00 0.00 C ATOM 496 CD2 LEU A 31 -10.899 13.812 40.693 1.00 0.00 C ATOM 0 H LEU A 31 -7.208 12.189 40.919 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.205 12.578 43.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.387 11.547 40.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.387 11.697 42.312 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.757 14.113 42.502 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.541 15.182 40.628 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.533 13.952 41.427 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.311 13.589 39.867 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.018 14.878 40.499 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.790 13.281 39.748 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.778 13.439 41.219 1.00 0.00 H new ATOM 508 N GLY A 32 -8.047 9.444 42.523 1.00 0.00 N ATOM 509 CA GLY A 32 -8.073 8.053 42.968 1.00 0.00 C ATOM 510 C GLY A 32 -7.057 7.845 44.090 1.00 0.00 C ATOM 511 O GLY A 32 -7.353 7.232 45.112 1.00 0.00 O ATOM 0 H GLY A 32 -7.758 9.571 41.553 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.072 7.793 43.318 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.845 7.391 42.133 1.00 0.00 H new ATOM 515 N VAL A 33 -5.874 8.418 43.893 1.00 0.00 N ATOM 516 CA VAL A 33 -4.840 8.336 44.927 1.00 0.00 C ATOM 517 C VAL A 33 -5.452 8.912 46.208 1.00 0.00 C ATOM 518 O VAL A 33 -5.386 8.296 47.271 1.00 0.00 O ATOM 519 CB VAL A 33 -3.585 9.120 44.524 1.00 0.00 C ATOM 520 CG1 VAL A 33 -2.643 9.231 45.728 1.00 0.00 C ATOM 521 CG2 VAL A 33 -2.864 8.385 43.386 1.00 0.00 C ATOM 0 H VAL A 33 -5.608 8.931 43.053 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.525 7.303 45.072 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.874 10.117 44.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.751 9.788 45.442 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.151 9.751 46.540 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.357 8.233 46.059 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.972 8.943 43.100 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.577 7.388 43.721 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.530 8.301 42.527 1.00 0.00 H new ATOM 531 N VAL A 34 -6.041 10.100 46.092 1.00 0.00 N ATOM 532 CA VAL A 34 -6.653 10.750 47.249 1.00 0.00 C ATOM 533 C VAL A 34 -7.743 9.837 47.815 1.00 0.00 C ATOM 534 O VAL A 34 -7.888 9.662 49.024 1.00 0.00 O ATOM 535 CB VAL A 34 -7.267 12.090 46.829 1.00 0.00 C ATOM 536 CG1 VAL A 34 -8.099 12.666 47.979 1.00 0.00 C ATOM 537 CG2 VAL A 34 -6.148 13.072 46.474 1.00 0.00 C ATOM 0 H VAL A 34 -6.108 10.627 45.221 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.894 10.933 48.010 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.910 11.933 45.963 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.532 13.618 47.673 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.898 11.970 48.235 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.460 12.821 48.848 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.582 14.026 46.175 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.506 13.222 47.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.557 12.669 45.652 1.00 0.00 H new ATOM 547 N GLY A 35 -8.497 9.262 46.891 1.00 0.00 N ATOM 548 CA GLY A 35 -9.578 8.351 47.254 1.00 0.00 C ATOM 549 C GLY A 35 -9.007 7.175 48.045 1.00 0.00 C ATOM 550 O GLY A 35 -9.531 6.796 49.091 1.00 0.00 O ATOM 0 H GLY A 35 -8.383 9.407 45.888 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.326 8.875 47.849 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.081 7.990 46.357 1.00 0.00 H new ATOM 554 N LEU A 36 -7.912 6.628 47.534 1.00 0.00 N ATOM 555 CA LEU A 36 -7.222 5.510 48.174 1.00 0.00 C ATOM 556 C LEU A 36 -6.529 5.968 49.459 1.00 0.00 C ATOM 557 O LEU A 36 -6.422 5.219 50.430 1.00 0.00 O ATOM 558 CB LEU A 36 -6.172 4.936 47.217 1.00 0.00 C ATOM 559 CG LEU A 36 -6.857 4.252 46.024 1.00 0.00 C ATOM 560 CD1 LEU A 36 -5.794 3.886 44.983 1.00 0.00 C ATOM 561 CD2 LEU A 36 -7.600 2.977 46.481 1.00 0.00 C ATOM 0 H LEU A 36 -7.476 6.944 46.667 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.960 4.746 48.421 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.519 5.733 46.862 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.543 4.219 47.744 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.585 4.937 45.589 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.271 3.400 44.132 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.287 4.791 44.647 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.067 3.207 45.429 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.079 2.507 45.622 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.889 2.281 46.926 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.358 3.242 47.218 1.00 0.00 H new ATOM 573 N SER A 37 -6.105 7.228 49.450 1.00 0.00 N ATOM 574 CA SER A 37 -5.469 7.820 50.625 1.00 0.00 C ATOM 575 C SER A 37 -6.463 7.811 51.783 1.00 0.00 C ATOM 576 O SER A 37 -6.117 7.510 52.900 1.00 0.00 O ATOM 577 CB SER A 37 -4.991 9.246 50.340 1.00 0.00 C ATOM 578 OG SER A 37 -4.376 9.774 51.508 1.00 0.00 O ATOM 0 H SER A 37 -6.189 7.855 48.650 1.00 0.00 H new ATOM 0 HA SER A 37 -4.591 7.230 50.887 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.284 9.247 49.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.832 9.872 50.043 1.00 0.00 H new ATOM 0 HG SER A 37 -4.211 10.732 51.386 1.00 0.00 H new ATOM 584 N ALA A 38 -7.702 8.130 51.485 1.00 0.00 N ATOM 585 CA ALA A 38 -8.750 8.136 52.510 1.00 0.00 C ATOM 586 C ALA A 38 -8.894 6.746 53.153 1.00 0.00 C ATOM 587 O ALA A 38 -9.124 6.637 54.358 1.00 0.00 O ATOM 588 CB ALA A 38 -10.086 8.578 51.908 1.00 0.00 C ATOM 0 H ALA A 38 -8.019 8.389 50.551 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.461 8.847 53.284 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.852 8.577 52.683 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.986 9.583 51.499 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.372 7.889 51.113 1.00 0.00 H new ATOM 594 N LEU A 39 -8.740 5.700 52.360 1.00 0.00 N ATOM 595 CA LEU A 39 -8.842 4.340 52.915 1.00 0.00 C ATOM 596 C LEU A 39 -7.577 3.970 53.731 1.00 0.00 C ATOM 597 O LEU A 39 -7.671 3.507 54.869 1.00 0.00 O ATOM 598 CB LEU A 39 -9.045 3.325 51.773 1.00 0.00 C ATOM 599 CG LEU A 39 -10.538 3.214 51.401 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.337 2.520 52.525 1.00 0.00 C ATOM 601 CD2 LEU A 39 -11.107 4.617 51.147 1.00 0.00 C ATOM 0 H LEU A 39 -8.549 5.749 51.359 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.699 4.310 53.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.469 3.633 50.900 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.667 2.349 52.076 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.628 2.611 50.497 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.386 2.454 52.238 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.941 1.517 52.687 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.248 3.098 53.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.162 4.540 50.884 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.001 5.221 52.048 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.563 5.088 50.328 1.00 0.00 H new ATOM 613 N THR A 40 -6.416 4.155 53.114 1.00 0.00 N ATOM 614 CA THR A 40 -5.120 3.818 53.751 1.00 0.00 C ATOM 615 C THR A 40 -4.466 5.035 54.419 1.00 0.00 C ATOM 616 O THR A 40 -3.380 4.937 54.993 1.00 0.00 O ATOM 617 CB THR A 40 -4.167 3.262 52.691 1.00 0.00 C ATOM 618 OG1 THR A 40 -3.957 4.242 51.684 1.00 0.00 O ATOM 619 CG2 THR A 40 -4.774 2.005 52.065 1.00 0.00 C ATOM 0 H THR A 40 -6.331 4.536 52.172 1.00 0.00 H new ATOM 0 HA THR A 40 -5.317 3.077 54.526 1.00 0.00 H new ATOM 0 HB THR A 40 -3.214 3.009 53.156 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.799 4.414 51.214 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.094 1.610 51.310 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.933 1.254 52.839 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.728 2.254 51.600 1.00 0.00 H new ATOM 627 N GLY A 41 -5.183 6.142 54.414 1.00 0.00 N ATOM 628 CA GLY A 41 -4.725 7.354 55.106 1.00 0.00 C ATOM 629 C GLY A 41 -3.322 7.803 54.709 1.00 0.00 C ATOM 630 O GLY A 41 -2.386 7.675 55.498 1.00 0.00 O ATOM 0 H GLY A 41 -6.083 6.238 53.943 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.426 8.163 54.901 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.748 7.177 56.181 1.00 0.00 H new ATOM 634 N TYR A 42 -3.168 8.351 53.506 1.00 0.00 N ATOM 635 CA TYR A 42 -1.873 8.838 53.033 1.00 0.00 C ATOM 636 C TYR A 42 -1.935 10.364 52.880 1.00 0.00 C ATOM 637 O TYR A 42 -1.151 10.960 52.142 1.00 0.00 O ATOM 638 CB TYR A 42 -1.562 8.175 51.661 1.00 0.00 C ATOM 639 CG TYR A 42 -0.314 7.306 51.750 1.00 0.00 C ATOM 640 CD1 TYR A 42 -0.229 6.297 52.717 1.00 0.00 C ATOM 641 CD2 TYR A 42 0.752 7.523 50.868 1.00 0.00 C ATOM 642 CE1 TYR A 42 0.922 5.503 52.801 1.00 0.00 C ATOM 643 CE2 TYR A 42 1.902 6.730 50.952 1.00 0.00 C ATOM 644 CZ TYR A 42 1.987 5.719 51.919 1.00 0.00 C ATOM 645 OH TYR A 42 3.121 4.938 52.001 1.00 0.00 O ATOM 0 H TYR A 42 -3.929 8.470 52.837 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.088 8.584 53.745 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.411 7.569 51.344 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.421 8.946 50.903 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.051 6.131 53.398 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.687 8.302 50.123 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.988 4.724 53.546 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.724 6.897 50.272 1.00 0.00 H new ATOM 0 HH TYR A 42 3.762 5.219 51.315 1.00 0.00 H new ATOM 655 N LEU A 43 -2.896 10.975 53.566 1.00 0.00 N ATOM 656 CA LEU A 43 -3.115 12.420 53.510 1.00 0.00 C ATOM 657 C LEU A 43 -1.828 13.231 53.646 1.00 0.00 C ATOM 658 O LEU A 43 -1.497 14.055 52.792 1.00 0.00 O ATOM 659 CB LEU A 43 -3.939 12.770 54.757 1.00 0.00 C ATOM 660 CG LEU A 43 -5.296 12.048 54.732 1.00 0.00 C ATOM 661 CD1 LEU A 43 -6.024 12.316 56.053 1.00 0.00 C ATOM 662 CD2 LEU A 43 -6.159 12.557 53.559 1.00 0.00 C ATOM 0 H LEU A 43 -3.547 10.483 54.178 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.580 12.653 52.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.388 12.488 55.654 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.096 13.848 54.805 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.129 10.979 54.602 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.989 11.808 56.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.423 11.942 56.882 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.179 13.388 56.172 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.116 12.034 53.558 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.330 13.628 53.671 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.642 12.369 52.618 1.00 0.00 H new ATOM 674 N ASP A 44 -1.111 12.976 54.736 1.00 0.00 N ATOM 675 CA ASP A 44 0.147 13.674 55.001 1.00 0.00 C ATOM 676 C ASP A 44 1.202 13.247 53.985 1.00 0.00 C ATOM 677 O ASP A 44 2.011 14.062 53.540 1.00 0.00 O ATOM 678 CB ASP A 44 0.633 13.377 56.420 1.00 0.00 C ATOM 679 CG ASP A 44 0.739 11.867 56.594 1.00 0.00 C ATOM 680 OD1 ASP A 44 -0.074 11.177 56.000 1.00 0.00 O ATOM 681 OD2 ASP A 44 1.654 11.417 57.265 1.00 0.00 O ATOM 0 H ASP A 44 -1.376 12.295 55.448 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.022 14.747 54.910 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.601 13.846 56.594 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.059 13.794 57.152 1.00 0.00 H new ATOM 686 N TYR A 45 1.208 11.967 53.642 1.00 0.00 N ATOM 687 CA TYR A 45 2.194 11.452 52.700 1.00 0.00 C ATOM 688 C TYR A 45 2.114 12.165 51.347 1.00 0.00 C ATOM 689 O TYR A 45 3.156 12.444 50.764 1.00 0.00 O ATOM 690 CB TYR A 45 1.999 9.940 52.504 1.00 0.00 C ATOM 691 CG TYR A 45 2.636 9.174 53.644 1.00 0.00 C ATOM 692 CD1 TYR A 45 3.978 8.784 53.552 1.00 0.00 C ATOM 693 CD2 TYR A 45 1.887 8.841 54.779 1.00 0.00 C ATOM 694 CE1 TYR A 45 4.570 8.061 54.594 1.00 0.00 C ATOM 695 CE2 TYR A 45 2.480 8.118 55.822 1.00 0.00 C ATOM 696 CZ TYR A 45 3.821 7.729 55.730 1.00 0.00 C ATOM 697 OH TYR A 45 4.404 7.016 56.757 1.00 0.00 O ATOM 0 H TYR A 45 0.550 11.272 53.996 1.00 0.00 H new ATOM 0 HA TYR A 45 3.181 11.642 53.121 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.935 9.708 52.451 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.441 9.630 51.557 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.556 9.041 52.677 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.852 9.142 54.850 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.604 7.759 54.522 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.902 7.861 56.697 1.00 0.00 H new ATOM 0 HH TYR A 45 3.746 6.871 57.469 1.00 0.00 H new ATOM 707 N VAL A 46 0.891 12.426 50.852 1.00 0.00 N ATOM 708 CA VAL A 46 0.666 13.081 49.543 1.00 0.00 C ATOM 709 C VAL A 46 1.923 13.686 48.910 1.00 0.00 C ATOM 710 O VAL A 46 2.162 13.492 47.718 1.00 0.00 O ATOM 711 CB VAL A 46 -0.397 14.173 49.693 1.00 0.00 C ATOM 712 CG1 VAL A 46 0.135 15.299 50.584 1.00 0.00 C ATOM 713 CG2 VAL A 46 -0.746 14.737 48.314 1.00 0.00 C ATOM 0 H VAL A 46 0.029 12.191 51.344 1.00 0.00 H new ATOM 0 HA VAL A 46 0.336 12.291 48.868 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.289 13.745 50.150 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.626 16.072 50.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.381 14.899 51.568 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.030 15.728 50.133 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.503 15.514 48.420 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.148 15.161 47.857 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.133 13.938 47.681 1.00 0.00 H new ATOM 723 N LEU A 47 2.700 14.438 49.666 1.00 0.00 N ATOM 724 CA LEU A 47 3.883 15.069 49.093 1.00 0.00 C ATOM 725 C LEU A 47 4.805 14.026 48.441 1.00 0.00 C ATOM 726 O LEU A 47 5.297 14.219 47.329 1.00 0.00 O ATOM 727 CB LEU A 47 4.669 15.760 50.213 1.00 0.00 C ATOM 728 CG LEU A 47 3.878 16.963 50.759 1.00 0.00 C ATOM 729 CD1 LEU A 47 4.593 17.520 51.998 1.00 0.00 C ATOM 730 CD2 LEU A 47 3.762 18.069 49.685 1.00 0.00 C ATOM 0 H LEU A 47 2.543 14.627 50.656 1.00 0.00 H new ATOM 0 HA LEU A 47 3.557 15.783 48.337 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.868 15.052 51.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.636 16.093 49.836 1.00 0.00 H new ATOM 0 HG LEU A 47 2.874 16.633 51.028 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.036 18.372 52.387 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.653 16.745 52.763 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.599 17.839 51.725 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.200 18.911 50.089 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.759 18.403 49.397 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.245 17.674 48.810 1.00 0.00 H new ATOM 742 N LEU A 48 5.042 12.932 49.166 1.00 0.00 N ATOM 743 CA LEU A 48 5.923 11.860 48.678 1.00 0.00 C ATOM 744 C LEU A 48 5.383 11.196 47.390 1.00 0.00 C ATOM 745 O LEU A 48 6.058 11.250 46.362 1.00 0.00 O ATOM 746 CB LEU A 48 6.196 10.829 49.804 1.00 0.00 C ATOM 747 CG LEU A 48 7.597 11.037 50.412 1.00 0.00 C ATOM 748 CD1 LEU A 48 7.677 10.321 51.767 1.00 0.00 C ATOM 749 CD2 LEU A 48 8.667 10.451 49.471 1.00 0.00 C ATOM 0 H LEU A 48 4.641 12.761 50.088 1.00 0.00 H new ATOM 0 HA LEU A 48 6.876 12.311 48.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.439 10.926 50.583 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.115 9.818 49.405 1.00 0.00 H new ATOM 0 HG LEU A 48 7.773 12.104 50.545 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.667 10.467 52.198 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.924 10.731 52.440 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.496 9.255 51.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.655 10.601 49.906 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.488 9.384 49.336 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.616 10.953 48.505 1.00 0.00 H new ATOM 761 N PRO A 49 4.210 10.604 47.382 1.00 0.00 N ATOM 762 CA PRO A 49 3.656 9.980 46.137 1.00 0.00 C ATOM 763 C PRO A 49 3.720 10.930 44.941 1.00 0.00 C ATOM 764 O PRO A 49 3.801 10.490 43.793 1.00 0.00 O ATOM 765 CB PRO A 49 2.199 9.674 46.506 1.00 0.00 C ATOM 766 CG PRO A 49 2.222 9.470 47.980 1.00 0.00 C ATOM 767 CD PRO A 49 3.288 10.429 48.518 1.00 0.00 C ATOM 0 HA PRO A 49 4.222 9.099 45.833 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.539 10.496 46.229 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.837 8.786 45.988 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.247 9.683 48.419 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.465 8.437 48.228 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.852 11.378 48.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.798 10.013 49.387 1.00 0.00 H new ATOM 775 N ALA A 50 3.714 12.233 45.217 1.00 0.00 N ATOM 776 CA ALA A 50 3.804 13.247 44.172 1.00 0.00 C ATOM 777 C ALA A 50 5.199 13.277 43.558 1.00 0.00 C ATOM 778 O ALA A 50 5.351 13.586 42.376 1.00 0.00 O ATOM 779 CB ALA A 50 3.465 14.624 44.748 1.00 0.00 C ATOM 0 H ALA A 50 3.647 12.611 46.162 1.00 0.00 H new ATOM 0 HA ALA A 50 3.088 12.993 43.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.535 15.375 43.961 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.451 14.611 45.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.167 14.868 45.545 1.00 0.00 H new ATOM 785 N LEU A 51 6.217 12.937 44.341 1.00 0.00 N ATOM 786 CA LEU A 51 7.573 12.919 43.812 1.00 0.00 C ATOM 787 C LEU A 51 7.687 11.840 42.743 1.00 0.00 C ATOM 788 O LEU A 51 8.312 12.030 41.703 1.00 0.00 O ATOM 789 CB LEU A 51 8.587 12.632 44.927 1.00 0.00 C ATOM 790 CG LEU A 51 8.672 13.822 45.897 1.00 0.00 C ATOM 791 CD1 LEU A 51 9.569 13.439 47.081 1.00 0.00 C ATOM 792 CD2 LEU A 51 9.255 15.063 45.185 1.00 0.00 C ATOM 0 H LEU A 51 6.132 12.676 45.323 1.00 0.00 H new ATOM 0 HA LEU A 51 7.790 13.897 43.382 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.295 11.733 45.470 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.568 12.438 44.493 1.00 0.00 H new ATOM 0 HG LEU A 51 7.670 14.065 46.250 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.635 14.278 47.774 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.145 12.576 47.595 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.566 13.190 46.717 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.307 15.895 45.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.256 14.835 44.817 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.614 15.336 44.347 1.00 0.00 H new ATOM 804 N ALA A 52 7.038 10.714 43.014 1.00 0.00 N ATOM 805 CA ALA A 52 7.033 9.602 42.071 1.00 0.00 C ATOM 806 C ALA A 52 6.397 10.052 40.759 1.00 0.00 C ATOM 807 O ALA A 52 6.916 9.765 39.681 1.00 0.00 O ATOM 808 CB ALA A 52 6.262 8.414 42.648 1.00 0.00 C ATOM 0 H ALA A 52 6.512 10.547 43.872 1.00 0.00 H new ATOM 0 HA ALA A 52 8.060 9.288 41.887 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.268 7.593 41.931 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.734 8.089 43.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.233 8.711 42.850 1.00 0.00 H new ATOM 814 N ILE A 53 5.287 10.779 40.853 1.00 0.00 N ATOM 815 CA ILE A 53 4.622 11.277 39.654 1.00 0.00 C ATOM 816 C ILE A 53 5.535 12.241 38.897 1.00 0.00 C ATOM 817 O ILE A 53 5.729 12.075 37.695 1.00 0.00 O ATOM 818 CB ILE A 53 3.309 11.971 40.030 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.321 10.925 40.553 1.00 0.00 C ATOM 820 CG2 ILE A 53 2.712 12.657 38.798 1.00 0.00 C ATOM 821 CD1 ILE A 53 1.114 11.622 41.182 1.00 0.00 C ATOM 0 H ILE A 53 4.835 11.033 41.732 1.00 0.00 H new ATOM 0 HA ILE A 53 4.399 10.432 39.003 1.00 0.00 H new ATOM 0 HB ILE A 53 3.503 12.719 40.799 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.995 10.279 39.738 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.809 10.287 41.290 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.779 13.149 39.072 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.415 13.399 38.418 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.517 11.913 38.026 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.414 10.873 41.553 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.446 12.249 42.009 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.620 12.241 40.433 1.00 0.00 H new ATOM 833 N PHE A 54 6.100 13.241 39.566 1.00 0.00 N ATOM 834 CA PHE A 54 6.982 14.183 38.882 1.00 0.00 C ATOM 835 C PHE A 54 8.171 13.452 38.266 1.00 0.00 C ATOM 836 O PHE A 54 8.559 13.731 37.131 1.00 0.00 O ATOM 837 CB PHE A 54 7.481 15.243 39.867 1.00 0.00 C ATOM 838 CG PHE A 54 8.368 16.230 39.143 1.00 0.00 C ATOM 839 CD1 PHE A 54 7.793 17.251 38.375 1.00 0.00 C ATOM 840 CD2 PHE A 54 9.760 16.127 39.240 1.00 0.00 C ATOM 841 CE1 PHE A 54 8.612 18.168 37.705 1.00 0.00 C ATOM 842 CE2 PHE A 54 10.579 17.044 38.571 1.00 0.00 C ATOM 843 CZ PHE A 54 10.005 18.065 37.803 1.00 0.00 C ATOM 0 H PHE A 54 5.968 13.419 40.562 1.00 0.00 H new ATOM 0 HA PHE A 54 6.418 14.668 38.086 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.635 15.762 40.318 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.034 14.769 40.678 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.719 17.331 38.300 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.203 15.339 39.832 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.169 18.955 37.112 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.653 16.964 38.647 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.637 18.773 37.287 1.00 0.00 H new ATOM 853 N ILE A 55 8.727 12.496 39.001 1.00 0.00 N ATOM 854 CA ILE A 55 9.846 11.712 38.496 1.00 0.00 C ATOM 855 C ILE A 55 9.396 10.866 37.307 1.00 0.00 C ATOM 856 O ILE A 55 10.080 10.768 36.289 1.00 0.00 O ATOM 857 CB ILE A 55 10.378 10.799 39.610 1.00 0.00 C ATOM 858 CG1 ILE A 55 11.068 11.653 40.678 1.00 0.00 C ATOM 859 CG2 ILE A 55 11.390 9.803 39.032 1.00 0.00 C ATOM 860 CD1 ILE A 55 11.313 10.808 41.929 1.00 0.00 C ATOM 0 H ILE A 55 8.423 12.247 39.942 1.00 0.00 H new ATOM 0 HA ILE A 55 10.638 12.387 38.171 1.00 0.00 H new ATOM 0 HB ILE A 55 9.545 10.251 40.052 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.013 12.038 40.296 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.449 12.516 40.925 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.763 9.159 39.829 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.906 9.193 38.269 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.223 10.347 38.586 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.804 11.416 42.689 1.00 0.00 H new ATOM 0 HD12 ILE A 55 10.361 10.445 42.315 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.949 9.960 41.676 1.00 0.00 H new ATOM 872 N GLY A 56 8.217 10.273 37.469 1.00 0.00 N ATOM 873 CA GLY A 56 7.625 9.438 36.429 1.00 0.00 C ATOM 874 C GLY A 56 7.307 10.261 35.185 1.00 0.00 C ATOM 875 O GLY A 56 7.568 9.835 34.061 1.00 0.00 O ATOM 0 H GLY A 56 7.651 10.356 38.314 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.311 8.631 36.171 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.714 8.973 36.805 1.00 0.00 H new ATOM 879 N LEU A 57 6.748 11.450 35.400 1.00 0.00 N ATOM 880 CA LEU A 57 6.408 12.327 34.286 1.00 0.00 C ATOM 881 C LEU A 57 7.678 12.712 33.540 1.00 0.00 C ATOM 882 O LEU A 57 7.742 12.619 32.314 1.00 0.00 O ATOM 883 CB LEU A 57 5.693 13.582 34.807 1.00 0.00 C ATOM 884 CG LEU A 57 5.369 14.540 33.649 1.00 0.00 C ATOM 885 CD1 LEU A 57 4.452 13.848 32.627 1.00 0.00 C ATOM 886 CD2 LEU A 57 4.662 15.777 34.216 1.00 0.00 C ATOM 0 H LEU A 57 6.524 11.823 36.323 1.00 0.00 H new ATOM 0 HA LEU A 57 5.738 11.805 33.603 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.774 13.297 35.319 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.322 14.088 35.540 1.00 0.00 H new ATOM 0 HG LEU A 57 6.293 14.831 33.149 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.230 14.537 31.812 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.952 12.965 32.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.523 13.551 33.114 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.426 16.465 33.404 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.741 15.474 34.713 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.316 16.273 34.934 1.00 0.00 H new ATOM 898 N THR A 58 8.674 13.179 34.283 1.00 0.00 N ATOM 899 CA THR A 58 9.925 13.618 33.684 1.00 0.00 C ATOM 900 C THR A 58 10.512 12.535 32.791 1.00 0.00 C ATOM 901 O THR A 58 10.974 12.809 31.685 1.00 0.00 O ATOM 902 CB THR A 58 10.929 13.939 34.795 1.00 0.00 C ATOM 903 OG1 THR A 58 10.409 14.978 35.613 1.00 0.00 O ATOM 904 CG2 THR A 58 12.253 14.389 34.176 1.00 0.00 C ATOM 0 H THR A 58 8.639 13.263 35.299 1.00 0.00 H new ATOM 0 HA THR A 58 9.725 14.502 33.079 1.00 0.00 H new ATOM 0 HB THR A 58 11.099 13.049 35.400 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.801 14.596 36.280 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.966 14.617 34.968 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.651 13.592 33.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.087 15.280 33.570 1.00 0.00 H new ATOM 912 N ILE A 59 10.457 11.297 33.268 1.00 0.00 N ATOM 913 CA ILE A 59 10.954 10.172 32.489 1.00 0.00 C ATOM 914 C ILE A 59 10.107 10.003 31.228 1.00 0.00 C ATOM 915 O ILE A 59 10.638 9.740 30.151 1.00 0.00 O ATOM 916 CB ILE A 59 10.942 8.887 33.323 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.975 9.005 34.445 1.00 0.00 C ATOM 918 CG2 ILE A 59 11.294 7.692 32.432 1.00 0.00 C ATOM 919 CD1 ILE A 59 11.790 7.855 35.438 1.00 0.00 C ATOM 0 H ILE A 59 10.077 11.049 34.182 1.00 0.00 H new ATOM 0 HA ILE A 59 11.985 10.374 32.199 1.00 0.00 H new ATOM 0 HB ILE A 59 9.950 8.740 33.750 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.982 8.981 34.029 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.864 9.961 34.956 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.285 6.779 33.027 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.562 7.609 31.629 1.00 0.00 H new ATOM 0 HG23 ILE A 59 12.286 7.837 32.005 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.527 7.941 36.236 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.787 7.899 35.863 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.923 6.904 34.922 1.00 0.00 H new ATOM 931 N TYR A 60 8.791 10.104 31.374 1.00 0.00 N ATOM 932 CA TYR A 60 7.878 9.910 30.248 1.00 0.00 C ATOM 933 C TYR A 60 8.155 10.863 29.076 1.00 0.00 C ATOM 934 O TYR A 60 8.027 10.460 27.920 1.00 0.00 O ATOM 935 CB TYR A 60 6.436 10.094 30.723 1.00 0.00 C ATOM 936 CG TYR A 60 5.487 9.586 29.666 1.00 0.00 C ATOM 937 CD1 TYR A 60 5.096 10.423 28.613 1.00 0.00 C ATOM 938 CD2 TYR A 60 4.998 8.277 29.739 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.215 9.948 27.634 1.00 0.00 C ATOM 940 CE2 TYR A 60 4.117 7.803 28.759 1.00 0.00 C ATOM 941 CZ TYR A 60 3.726 8.639 27.706 1.00 0.00 C ATOM 942 OH TYR A 60 2.857 8.172 26.741 1.00 0.00 O ATOM 0 H TYR A 60 8.330 10.319 32.258 1.00 0.00 H new ATOM 0 HA TYR A 60 8.038 8.897 29.880 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.278 9.555 31.657 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.241 11.147 30.926 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.474 11.433 28.556 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.300 7.632 30.551 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.912 10.593 26.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.739 6.793 28.815 1.00 0.00 H new ATOM 0 HH TYR A 60 2.615 7.243 26.940 1.00 0.00 H new ATOM 952 N ALA A 61 8.526 12.112 29.337 1.00 0.00 N ATOM 953 CA ALA A 61 8.812 13.029 28.231 1.00 0.00 C ATOM 954 C ALA A 61 10.154 12.715 27.556 1.00 0.00 C ATOM 955 O ALA A 61 10.200 12.573 26.335 1.00 0.00 O ATOM 956 CB ALA A 61 8.823 14.470 28.742 1.00 0.00 C ATOM 0 H ALA A 61 8.634 12.507 30.271 1.00 0.00 H new ATOM 0 HA ALA A 61 8.026 12.901 27.487 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.036 15.148 27.915 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.849 14.712 29.168 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.591 14.579 29.508 1.00 0.00 H new ATOM 962 N ILE A 62 11.253 12.679 28.306 1.00 0.00 N ATOM 963 CA ILE A 62 12.557 12.466 27.668 1.00 0.00 C ATOM 964 C ILE A 62 12.548 11.252 26.733 1.00 0.00 C ATOM 965 O ILE A 62 13.152 11.289 25.661 1.00 0.00 O ATOM 966 CB ILE A 62 13.665 12.314 28.725 1.00 0.00 C ATOM 967 CG1 ILE A 62 13.477 11.022 29.530 1.00 0.00 C ATOM 968 CG2 ILE A 62 13.634 13.516 29.680 1.00 0.00 C ATOM 969 CD1 ILE A 62 14.625 10.863 30.537 1.00 0.00 C ATOM 0 H ILE A 62 11.274 12.790 29.320 1.00 0.00 H new ATOM 0 HA ILE A 62 12.764 13.349 27.063 1.00 0.00 H new ATOM 0 HB ILE A 62 14.626 12.270 28.213 1.00 0.00 H new ATOM 0 HG12 ILE A 62 12.522 11.046 30.055 1.00 0.00 H new ATOM 0 HG13 ILE A 62 13.450 10.165 28.857 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.419 13.407 30.428 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.796 14.434 29.115 1.00 0.00 H new ATOM 0 HG23 ILE A 62 12.664 13.562 30.176 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.486 9.944 31.106 1.00 0.00 H new ATOM 0 HD12 ILE A 62 15.574 10.819 30.003 1.00 0.00 H new ATOM 0 HD13 ILE A 62 14.632 11.714 31.219 1.00 0.00 H new ATOM 981 N GLN A 63 11.850 10.190 27.123 1.00 0.00 N ATOM 982 CA GLN A 63 11.774 9.001 26.273 1.00 0.00 C ATOM 983 C GLN A 63 10.932 9.301 25.035 1.00 0.00 C ATOM 984 O GLN A 63 11.239 8.852 23.940 1.00 0.00 O ATOM 985 CB GLN A 63 11.160 7.823 27.049 1.00 0.00 C ATOM 986 CG GLN A 63 9.751 8.206 27.500 1.00 0.00 C ATOM 987 CD GLN A 63 9.125 7.116 28.366 1.00 0.00 C ATOM 988 OE1 GLN A 63 9.562 6.880 29.492 1.00 0.00 O ATOM 989 NE2 GLN A 63 8.054 6.506 27.938 1.00 0.00 N ATOM 0 H GLN A 63 11.338 10.125 28.003 1.00 0.00 H new ATOM 0 HA GLN A 63 12.783 8.728 25.965 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.125 6.934 26.419 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.778 7.578 27.913 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.789 9.140 28.060 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.124 8.383 26.626 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.694 6.703 27.004 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.577 5.832 28.537 1.00 0.00 H new ATOM 998 N ARG A 64 9.888 10.094 25.217 1.00 0.00 N ATOM 999 CA ARG A 64 8.994 10.515 24.143 1.00 0.00 C ATOM 1000 C ARG A 64 9.614 11.633 23.307 1.00 0.00 C ATOM 1001 O ARG A 64 9.199 11.894 22.181 1.00 0.00 O ATOM 1002 CB ARG A 64 7.662 11.003 24.736 1.00 0.00 C ATOM 1003 CG ARG A 64 6.559 10.999 23.658 1.00 0.00 C ATOM 1004 CD ARG A 64 5.910 9.612 23.562 1.00 0.00 C ATOM 1005 NE ARG A 64 4.929 9.587 22.481 1.00 0.00 N ATOM 1006 CZ ARG A 64 3.690 10.033 22.659 1.00 0.00 C ATOM 1007 NH1 ARG A 64 3.334 10.525 23.814 1.00 0.00 N ATOM 1008 NH2 ARG A 64 2.830 9.979 21.679 1.00 0.00 N ATOM 0 H ARG A 64 9.631 10.471 26.129 1.00 0.00 H new ATOM 0 HA ARG A 64 8.822 9.656 23.495 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.370 10.361 25.567 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.783 12.009 25.138 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.803 11.746 23.900 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.984 11.276 22.693 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.675 8.856 23.386 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.427 9.362 24.507 1.00 0.00 H new ATOM 0 HE ARG A 64 5.201 9.219 21.569 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.007 10.567 24.580 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.383 10.868 23.951 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.109 9.594 20.776 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.879 10.321 21.816 1.00 0.00 H new ATOM 1022 N LYS A 65 10.591 12.298 23.910 1.00 0.00 N ATOM 1023 CA LYS A 65 11.293 13.429 23.303 1.00 0.00 C ATOM 1024 C LYS A 65 12.233 13.034 22.155 1.00 0.00 C ATOM 1025 O LYS A 65 12.368 13.748 21.162 1.00 0.00 O ATOM 1026 CB LYS A 65 12.151 14.086 24.385 1.00 0.00 C ATOM 1027 CG LYS A 65 12.764 15.379 23.836 1.00 0.00 C ATOM 1028 CD LYS A 65 13.415 16.184 24.970 1.00 0.00 C ATOM 1029 CE LYS A 65 14.694 15.487 25.450 1.00 0.00 C ATOM 1030 NZ LYS A 65 15.409 16.374 26.410 1.00 0.00 N ATOM 0 H LYS A 65 10.925 12.067 24.846 1.00 0.00 H new ATOM 0 HA LYS A 65 10.530 14.090 22.891 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.544 14.303 25.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.939 13.404 24.703 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.508 15.142 23.075 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.993 15.978 23.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.649 17.190 24.623 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.716 16.288 25.800 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.447 14.539 25.928 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.337 15.258 24.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.277 15.904 26.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.656 17.268 25.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.794 16.571 27.225 1.00 0.00 H new ATOM 1044 N ARG A 66 12.781 11.827 22.274 1.00 0.00 N ATOM 1045 CA ARG A 66 13.590 11.311 21.162 1.00 0.00 C ATOM 1046 C ARG A 66 12.612 10.820 20.090 1.00 0.00 C ATOM 1047 O ARG A 66 12.612 11.306 18.959 1.00 0.00 O ATOM 1048 CB ARG A 66 14.490 10.161 21.626 1.00 0.00 C ATOM 1049 CG ARG A 66 15.184 10.525 22.947 1.00 0.00 C ATOM 1050 CD ARG A 66 16.012 11.803 22.787 1.00 0.00 C ATOM 1051 NE ARG A 66 16.978 11.658 21.701 1.00 0.00 N ATOM 1052 CZ ARG A 66 18.166 11.098 21.902 1.00 0.00 C ATOM 1053 NH1 ARG A 66 18.481 10.645 23.085 1.00 0.00 N ATOM 1054 NH2 ARG A 66 19.017 11.001 20.918 1.00 0.00 N ATOM 0 H ARG A 66 12.691 11.212 23.082 1.00 0.00 H new ATOM 0 HA ARG A 66 14.243 12.092 20.771 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.897 9.256 21.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.237 9.945 20.863 1.00 0.00 H new ATOM 0 HG2 ARG A 66 14.438 10.664 23.730 1.00 0.00 H new ATOM 0 HG3 ARG A 66 15.829 9.705 23.263 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.353 12.647 22.584 1.00 0.00 H new ATOM 0 HD3 ARG A 66 16.534 12.023 23.718 1.00 0.00 H new ATOM 0 HE ARG A 66 16.735 11.994 20.769 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.815 10.721 23.854 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.393 10.215 23.240 1.00 0.00 H new ATOM 0 HH21 ARG A 66 18.771 11.355 19.994 1.00 0.00 H new ATOM 0 HH22 ARG A 66 19.929 10.571 21.073 1.00 0.00 H new ATOM 1068 N GLN A 67 11.794 9.844 20.466 1.00 0.00 N ATOM 1069 CA GLN A 67 10.811 9.252 19.556 1.00 0.00 C ATOM 1070 C GLN A 67 9.816 10.310 19.069 1.00 0.00 C ATOM 1071 O GLN A 67 9.008 10.064 18.174 1.00 0.00 O ATOM 1072 CB GLN A 67 10.054 8.111 20.270 1.00 0.00 C ATOM 1073 CG GLN A 67 10.887 6.812 20.240 1.00 0.00 C ATOM 1074 CD GLN A 67 12.144 6.983 21.083 1.00 0.00 C ATOM 1075 OE1 GLN A 67 13.262 6.769 20.612 1.00 0.00 O ATOM 1076 NE2 GLN A 67 12.020 7.395 22.315 1.00 0.00 N ATOM 0 H GLN A 67 11.790 9.440 21.403 1.00 0.00 H new ATOM 0 HA GLN A 67 11.340 8.850 18.692 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.846 8.394 21.302 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.092 7.945 19.785 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.294 5.980 20.620 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.158 6.567 19.213 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.093 7.572 22.703 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.850 7.540 22.890 1.00 0.00 H new ATOM 1085 N ALA A 68 9.848 11.463 19.737 1.00 0.00 N ATOM 1086 CA ALA A 68 8.899 12.543 19.443 1.00 0.00 C ATOM 1087 C ALA A 68 8.751 12.675 17.928 1.00 0.00 C ATOM 1088 O ALA A 68 7.671 12.971 17.416 1.00 0.00 O ATOM 1089 CB ALA A 68 9.437 13.871 19.993 1.00 0.00 C ATOM 0 H ALA A 68 10.514 11.675 20.480 1.00 0.00 H new ATOM 0 HA ALA A 68 7.939 12.313 19.905 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.729 14.670 19.772 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.569 13.791 21.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.396 14.097 19.526 1.00 0.00 H new ATOM 1095 N ASP A 69 9.836 12.379 17.221 1.00 0.00 N ATOM 1096 CA ASP A 69 9.797 12.389 15.764 1.00 0.00 C ATOM 1097 C ASP A 69 8.665 11.478 15.306 1.00 0.00 C ATOM 1098 O ASP A 69 7.779 11.904 14.564 1.00 0.00 O ATOM 1099 CB ASP A 69 11.115 11.812 15.239 1.00 0.00 C ATOM 1100 CG ASP A 69 12.248 12.810 15.451 1.00 0.00 C ATOM 1101 OD1 ASP A 69 11.955 13.961 15.734 1.00 0.00 O ATOM 1102 OD2 ASP A 69 13.393 12.413 15.314 1.00 0.00 O ATOM 0 H ASP A 69 10.740 12.133 17.625 1.00 0.00 H new ATOM 0 HA ASP A 69 9.648 13.404 15.396 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.342 10.878 15.753 1.00 0.00 H new ATOM 0 HB3 ASP A 69 11.021 11.577 14.179 1.00 0.00 H new