USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 548 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0075) USER MOD Single : A 20 GLN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.2) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0.978 (180deg=0.936) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 29 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.049 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.24) USER MOD Single : A 46 TYR OH : rot 30:sc=-0.00839 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0205 K(o=-0.02,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.47) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 60 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.05) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.144 2.124 -9.472 1.00 0.00 N ATOM 152 CA GLU A 13 -7.950 2.900 -9.196 1.00 0.00 C ATOM 153 C GLU A 13 -7.240 2.244 -8.015 1.00 0.00 C ATOM 154 O GLU A 13 -6.071 1.887 -8.127 1.00 0.00 O ATOM 155 CB GLU A 13 -8.333 4.362 -8.889 1.00 0.00 C ATOM 156 CG GLU A 13 -8.554 5.248 -10.126 1.00 0.00 C ATOM 157 CD GLU A 13 -9.787 4.915 -10.972 1.00 0.00 C ATOM 158 OE1 GLU A 13 -10.629 4.072 -10.586 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.922 5.476 -12.080 1.00 0.00 O ATOM 0 HA GLU A 13 -7.283 2.919 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.244 4.365 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.548 4.807 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.631 6.285 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.671 5.179 -10.761 1.00 0.00 H new ATOM 166 N VAL A 14 -7.959 2.074 -6.901 1.00 0.00 N ATOM 167 CA VAL A 14 -7.461 1.505 -5.657 1.00 0.00 C ATOM 168 C VAL A 14 -6.826 0.140 -5.925 1.00 0.00 C ATOM 169 O VAL A 14 -5.622 0.017 -5.721 1.00 0.00 O ATOM 170 CB VAL A 14 -8.592 1.524 -4.605 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.315 0.709 -3.343 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.793 2.957 -4.115 1.00 0.00 C ATOM 0 H VAL A 14 -8.942 2.341 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.656 2.103 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.452 1.093 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.166 0.785 -2.667 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.157 -0.335 -3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.424 1.095 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.590 2.979 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.869 3.321 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.064 3.595 -4.957 1.00 0.00 H new ATOM 182 N GLY A 15 -7.574 -0.856 -6.409 1.00 0.00 N ATOM 183 CA GLY A 15 -7.036 -2.180 -6.703 1.00 0.00 C ATOM 184 C GLY A 15 -5.801 -2.128 -7.604 1.00 0.00 C ATOM 185 O GLY A 15 -4.752 -2.667 -7.241 1.00 0.00 O ATOM 0 H GLY A 15 -8.570 -0.763 -6.607 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.778 -2.679 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.807 -2.782 -7.184 1.00 0.00 H new ATOM 189 N LYS A 16 -5.874 -1.430 -8.741 1.00 0.00 N ATOM 190 CA LYS A 16 -4.752 -1.325 -9.675 1.00 0.00 C ATOM 191 C LYS A 16 -3.516 -0.711 -9.016 1.00 0.00 C ATOM 192 O LYS A 16 -2.405 -1.162 -9.296 1.00 0.00 O ATOM 193 CB LYS A 16 -5.222 -0.530 -10.899 1.00 0.00 C ATOM 194 CG LYS A 16 -4.265 -0.380 -12.091 1.00 0.00 C ATOM 195 CD LYS A 16 -3.767 -1.665 -12.771 1.00 0.00 C ATOM 196 CE LYS A 16 -2.525 -2.247 -12.082 1.00 0.00 C ATOM 197 NZ LYS A 16 -1.714 -3.113 -12.963 1.00 0.00 N ATOM 0 H LYS A 16 -6.709 -0.925 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.441 -2.320 -9.993 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.136 -0.997 -11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.489 0.471 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.762 0.228 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.393 0.181 -11.753 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.564 -2.408 -12.766 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.535 -1.454 -13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.904 -1.428 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.838 -2.821 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.892 -3.472 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.292 -3.913 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.386 -2.564 -13.783 1.00 0.00 H new ATOM 211 N VAL A 17 -3.663 0.320 -8.185 1.00 0.00 N ATOM 212 CA VAL A 17 -2.543 0.931 -7.459 1.00 0.00 C ATOM 213 C VAL A 17 -2.032 -0.001 -6.359 1.00 0.00 C ATOM 214 O VAL A 17 -0.815 -0.062 -6.155 1.00 0.00 O ATOM 215 CB VAL A 17 -2.922 2.332 -6.924 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.859 2.925 -5.986 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.081 3.275 -8.131 1.00 0.00 C ATOM 0 H VAL A 17 -4.564 0.759 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.719 1.078 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.843 2.230 -6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.183 3.908 -5.644 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.725 2.268 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.914 3.020 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.349 4.272 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.141 3.324 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.866 2.898 -8.787 1.00 0.00 H new ATOM 227 N ILE A 18 -2.921 -0.727 -5.670 1.00 0.00 N ATOM 228 CA ILE A 18 -2.561 -1.705 -4.648 1.00 0.00 C ATOM 229 C ILE A 18 -1.640 -2.726 -5.293 1.00 0.00 C ATOM 230 O ILE A 18 -0.511 -2.883 -4.831 1.00 0.00 O ATOM 231 CB ILE A 18 -3.812 -2.343 -3.978 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.436 -1.305 -3.030 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.518 -3.627 -3.169 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.900 -1.561 -2.676 1.00 0.00 C ATOM 0 H ILE A 18 -3.928 -0.646 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.036 -1.217 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.483 -2.633 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.853 -1.278 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.354 -0.319 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.445 -4.005 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.091 -4.383 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.811 -3.400 -2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.254 -0.779 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.500 -1.557 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.992 -2.530 -2.185 1.00 0.00 H new ATOM 246 N GLN A 19 -2.109 -3.367 -6.364 1.00 0.00 N ATOM 247 CA GLN A 19 -1.417 -4.418 -7.075 1.00 0.00 C ATOM 248 C GLN A 19 -0.029 -3.929 -7.484 1.00 0.00 C ATOM 249 O GLN A 19 0.974 -4.532 -7.107 1.00 0.00 O ATOM 250 CB GLN A 19 -2.280 -4.835 -8.272 1.00 0.00 C ATOM 251 CG GLN A 19 -1.801 -6.166 -8.850 1.00 0.00 C ATOM 252 CD GLN A 19 -2.811 -6.794 -9.792 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.641 -6.779 -11.008 1.00 0.00 O ATOM 254 NE2 GLN A 19 -3.864 -7.370 -9.239 1.00 0.00 N ATOM 0 H GLN A 19 -3.020 -3.152 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.267 -5.295 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.321 -4.922 -7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.239 -4.064 -9.041 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.863 -6.009 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.593 -6.858 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.975 -7.364 -8.225 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.566 -7.820 -9.826 1.00 0.00 H new ATOM 263 N GLN A 20 0.019 -2.796 -8.190 1.00 0.00 N ATOM 264 CA GLN A 20 1.243 -2.146 -8.635 1.00 0.00 C ATOM 265 C GLN A 20 2.216 -1.950 -7.474 1.00 0.00 C ATOM 266 O GLN A 20 3.334 -2.460 -7.497 1.00 0.00 O ATOM 267 CB GLN A 20 0.894 -0.783 -9.244 1.00 0.00 C ATOM 268 CG GLN A 20 0.717 -0.775 -10.753 1.00 0.00 C ATOM 269 CD GLN A 20 0.223 0.590 -11.214 1.00 0.00 C ATOM 270 OE1 GLN A 20 0.965 1.412 -11.747 1.00 0.00 O ATOM 271 NE2 GLN A 20 -1.035 0.897 -10.954 1.00 0.00 N ATOM 0 H GLN A 20 -0.823 -2.294 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 20 1.723 -2.781 -9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.026 -0.423 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.680 -0.074 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.663 -1.011 -11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.006 -1.547 -11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.646 0.211 -10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.395 1.820 -11.196 1.00 0.00 H new ATOM 280 N GLY A 21 1.817 -1.197 -6.446 1.00 0.00 N ATOM 281 CA GLY A 21 2.757 -0.799 -5.421 1.00 0.00 C ATOM 282 C GLY A 21 3.190 -1.952 -4.531 1.00 0.00 C ATOM 283 O GLY A 21 4.314 -1.919 -4.024 1.00 0.00 O ATOM 0 H GLY A 21 0.864 -0.860 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.637 -0.362 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.306 -0.021 -4.805 1.00 0.00 H new ATOM 287 N ARG A 22 2.347 -2.980 -4.368 1.00 0.00 N ATOM 288 CA ARG A 22 2.769 -4.227 -3.761 1.00 0.00 C ATOM 289 C ARG A 22 3.906 -4.806 -4.596 1.00 0.00 C ATOM 290 O ARG A 22 5.007 -5.005 -4.082 1.00 0.00 O ATOM 291 CB ARG A 22 1.616 -5.243 -3.753 1.00 0.00 C ATOM 292 CG ARG A 22 0.603 -5.059 -2.642 1.00 0.00 C ATOM 293 CD ARG A 22 -0.326 -6.260 -2.402 1.00 0.00 C ATOM 294 NE ARG A 22 -1.001 -6.796 -3.600 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.529 -7.703 -4.466 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.688 -8.216 -4.331 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.313 -8.124 -5.442 1.00 0.00 N ATOM 0 H ARG A 22 1.368 -2.962 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 22 3.085 -4.034 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.097 -5.187 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.037 -6.246 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.137 -4.842 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.009 -4.186 -2.870 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.256 -7.061 -1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.087 -5.968 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.935 -6.434 -3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.283 -7.921 -3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.028 -8.905 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.262 -7.759 -5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.970 -8.814 -6.110 1.00 0.00 H new ATOM 311 N GLN A 23 3.638 -5.071 -5.876 1.00 0.00 N ATOM 312 CA GLN A 23 4.539 -5.706 -6.808 1.00 0.00 C ATOM 313 C GLN A 23 5.860 -4.956 -6.946 1.00 0.00 C ATOM 314 O GLN A 23 6.901 -5.610 -6.949 1.00 0.00 O ATOM 315 CB GLN A 23 3.820 -5.830 -8.151 1.00 0.00 C ATOM 316 CG GLN A 23 2.814 -6.986 -8.151 1.00 0.00 C ATOM 317 CD GLN A 23 2.048 -7.048 -9.465 1.00 0.00 C ATOM 318 OE1 GLN A 23 1.438 -6.072 -9.884 1.00 0.00 O ATOM 319 NE2 GLN A 23 2.053 -8.170 -10.157 1.00 0.00 N ATOM 0 H GLN A 23 2.741 -4.833 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 23 4.805 -6.694 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.302 -4.897 -8.374 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.553 -5.985 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.338 -7.928 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.114 -6.863 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.561 -8.982 -9.808 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.549 -8.226 -11.042 1.00 0.00 H new ATOM 328 N SER A 24 5.871 -3.621 -6.965 1.00 0.00 N ATOM 329 CA SER A 24 7.118 -2.859 -7.032 1.00 0.00 C ATOM 330 C SER A 24 8.016 -3.194 -5.840 1.00 0.00 C ATOM 331 O SER A 24 9.225 -3.370 -5.997 1.00 0.00 O ATOM 332 CB SER A 24 6.833 -1.356 -7.066 1.00 0.00 C ATOM 333 OG SER A 24 6.248 -0.991 -8.293 1.00 0.00 O ATOM 0 H SER A 24 5.029 -3.046 -6.935 1.00 0.00 H new ATOM 0 HA SER A 24 7.635 -3.136 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.167 -1.088 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.760 -0.801 -6.919 1.00 0.00 H new ATOM 0 HG SER A 24 6.071 -0.027 -8.297 1.00 0.00 H new ATOM 339 N LYS A 25 7.428 -3.337 -4.652 1.00 0.00 N ATOM 340 CA LYS A 25 8.131 -3.730 -3.434 1.00 0.00 C ATOM 341 C LYS A 25 8.333 -5.255 -3.364 1.00 0.00 C ATOM 342 O LYS A 25 8.966 -5.753 -2.432 1.00 0.00 O ATOM 343 CB LYS A 25 7.346 -3.163 -2.236 1.00 0.00 C ATOM 344 CG LYS A 25 7.356 -1.619 -2.257 1.00 0.00 C ATOM 345 CD LYS A 25 6.531 -0.958 -1.146 1.00 0.00 C ATOM 346 CE LYS A 25 7.118 -1.249 0.239 1.00 0.00 C ATOM 347 NZ LYS A 25 6.640 -0.306 1.270 1.00 0.00 N ATOM 0 H LYS A 25 6.431 -3.180 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 25 9.139 -3.316 -3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.318 -3.525 -2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.785 -3.522 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.387 -1.275 -2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.979 -1.280 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.497 0.119 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.504 -1.320 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.857 -2.266 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.206 -1.202 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.155 -0.472 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.805 0.670 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.622 -0.451 1.428 1.00 0.00 H new ATOM 361 N GLY A 26 7.820 -6.011 -4.335 1.00 0.00 N ATOM 362 CA GLY A 26 7.843 -7.465 -4.401 1.00 0.00 C ATOM 363 C GLY A 26 6.898 -8.126 -3.406 1.00 0.00 C ATOM 364 O GLY A 26 6.941 -9.343 -3.239 1.00 0.00 O ATOM 0 H GLY A 26 7.351 -5.597 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.577 -7.781 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.859 -7.815 -4.215 1.00 0.00 H new ATOM 368 N LEU A 27 6.062 -7.346 -2.724 1.00 0.00 N ATOM 369 CA LEU A 27 5.344 -7.810 -1.547 1.00 0.00 C ATOM 370 C LEU A 27 4.070 -8.545 -1.956 1.00 0.00 C ATOM 371 O LEU A 27 3.422 -8.186 -2.946 1.00 0.00 O ATOM 372 CB LEU A 27 5.009 -6.618 -0.645 1.00 0.00 C ATOM 373 CG LEU A 27 6.200 -5.879 -0.013 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.699 -4.637 0.736 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.982 -6.751 0.969 1.00 0.00 C ATOM 0 H LEU A 27 5.866 -6.377 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 27 5.976 -8.506 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.433 -5.900 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.361 -6.969 0.158 1.00 0.00 H new ATOM 0 HG LEU A 27 6.869 -5.605 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.545 -4.115 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.190 -3.972 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.005 -4.940 1.520 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.811 -6.178 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.323 -7.072 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.371 -7.626 0.448 1.00 0.00 H new ATOM 387 N THR A 28 3.671 -9.551 -1.184 1.00 0.00 N ATOM 388 CA THR A 28 2.444 -10.305 -1.422 1.00 0.00 C ATOM 389 C THR A 28 1.230 -9.533 -0.884 1.00 0.00 C ATOM 390 O THR A 28 1.366 -8.469 -0.261 1.00 0.00 O ATOM 391 CB THR A 28 2.566 -11.707 -0.796 1.00 0.00 C ATOM 392 OG1 THR A 28 2.666 -11.599 0.607 1.00 0.00 O ATOM 393 CG2 THR A 28 3.759 -12.486 -1.364 1.00 0.00 C ATOM 0 H THR A 28 4.195 -9.869 -0.368 1.00 0.00 H new ATOM 0 HA THR A 28 2.293 -10.432 -2.494 1.00 0.00 H new ATOM 0 HB THR A 28 1.666 -12.267 -1.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.742 -12.494 0.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.808 -13.469 -0.895 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.638 -12.603 -2.441 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.680 -11.940 -1.160 1.00 0.00 H new ATOM 401 N GLN A 29 0.030 -10.076 -1.108 1.00 0.00 N ATOM 402 CA GLN A 29 -1.190 -9.613 -0.457 1.00 0.00 C ATOM 403 C GLN A 29 -1.096 -9.836 1.057 1.00 0.00 C ATOM 404 O GLN A 29 -1.420 -8.922 1.811 1.00 0.00 O ATOM 405 CB GLN A 29 -2.405 -10.307 -1.094 1.00 0.00 C ATOM 406 CG GLN A 29 -2.623 -9.753 -2.511 1.00 0.00 C ATOM 407 CD GLN A 29 -3.608 -10.549 -3.361 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.580 -11.777 -3.382 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.427 -9.854 -4.126 1.00 0.00 N ATOM 0 H GLN A 29 -0.119 -10.854 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.316 -8.541 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.243 -11.384 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.294 -10.140 -0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.978 -8.725 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.663 -9.721 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.424 -8.835 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.064 -10.336 -4.761 1.00 0.00 H new ATOM 418 N LYS A 30 -0.582 -10.982 1.517 1.00 0.00 N ATOM 419 CA LYS A 30 -0.333 -11.264 2.932 1.00 0.00 C ATOM 420 C LYS A 30 0.560 -10.207 3.567 1.00 0.00 C ATOM 421 O LYS A 30 0.278 -9.761 4.679 1.00 0.00 O ATOM 422 CB LYS A 30 0.248 -12.687 3.104 1.00 0.00 C ATOM 423 CG LYS A 30 -0.456 -13.535 4.179 1.00 0.00 C ATOM 424 CD LYS A 30 -0.382 -12.908 5.578 1.00 0.00 C ATOM 425 CE LYS A 30 -0.892 -13.874 6.653 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.896 -13.249 7.991 1.00 0.00 N ATOM 0 H LYS A 30 -0.323 -11.754 0.902 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.286 -11.224 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.187 -13.209 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.305 -12.607 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.501 -13.669 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.004 -14.526 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.648 -12.627 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.973 -11.993 5.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.901 -14.200 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.264 -14.765 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.247 -13.932 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.071 -12.961 8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.515 -12.413 7.982 1.00 0.00 H new ATOM 440 N ASP A 31 1.606 -9.783 2.865 1.00 0.00 N ATOM 441 CA ASP A 31 2.531 -8.787 3.392 1.00 0.00 C ATOM 442 C ASP A 31 1.799 -7.454 3.568 1.00 0.00 C ATOM 443 O ASP A 31 2.013 -6.751 4.558 1.00 0.00 O ATOM 444 CB ASP A 31 3.723 -8.586 2.452 1.00 0.00 C ATOM 445 CG ASP A 31 4.610 -9.810 2.227 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.541 -10.796 3.003 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.309 -9.817 1.194 1.00 0.00 O ATOM 0 H ASP A 31 1.834 -10.115 1.928 1.00 0.00 H new ATOM 0 HA ASP A 31 2.904 -9.143 4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.346 -8.252 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.342 -7.781 2.848 1.00 0.00 H new ATOM 452 N LEU A 32 0.925 -7.086 2.616 1.00 0.00 N ATOM 453 CA LEU A 32 0.108 -5.874 2.692 1.00 0.00 C ATOM 454 C LEU A 32 -0.816 -5.972 3.893 1.00 0.00 C ATOM 455 O LEU A 32 -0.888 -5.051 4.702 1.00 0.00 O ATOM 456 CB LEU A 32 -0.732 -5.679 1.406 1.00 0.00 C ATOM 457 CG LEU A 32 -1.115 -4.217 1.091 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.827 -3.464 2.215 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.118 -3.403 0.705 1.00 0.00 C ATOM 0 H LEU A 32 0.768 -7.629 1.767 1.00 0.00 H new ATOM 0 HA LEU A 32 0.772 -5.016 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.174 -6.082 0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.646 -6.267 1.494 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.823 -4.311 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.050 -2.448 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.756 -3.977 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.184 -3.429 3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.177 -2.376 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.831 -3.409 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.582 -3.842 -0.178 1.00 0.00 H new ATOM 471 N ALA A 33 -1.508 -7.102 4.003 1.00 0.00 N ATOM 472 CA ALA A 33 -2.474 -7.382 5.037 1.00 0.00 C ATOM 473 C ALA A 33 -1.817 -7.135 6.386 1.00 0.00 C ATOM 474 O ALA A 33 -2.250 -6.274 7.142 1.00 0.00 O ATOM 475 CB ALA A 33 -2.967 -8.816 4.865 1.00 0.00 C ATOM 0 H ALA A 33 -1.400 -7.872 3.343 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.345 -6.730 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.699 -9.044 5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.430 -8.926 3.884 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.125 -9.503 4.948 1.00 0.00 H new ATOM 481 N THR A 34 -0.712 -7.812 6.663 1.00 0.00 N ATOM 482 CA THR A 34 0.054 -7.629 7.881 1.00 0.00 C ATOM 483 C THR A 34 0.609 -6.194 8.012 1.00 0.00 C ATOM 484 O THR A 34 0.596 -5.654 9.117 1.00 0.00 O ATOM 485 CB THR A 34 1.108 -8.737 7.896 1.00 0.00 C ATOM 486 OG1 THR A 34 0.433 -9.985 7.845 1.00 0.00 O ATOM 487 CG2 THR A 34 1.999 -8.721 9.137 1.00 0.00 C ATOM 0 H THR A 34 -0.319 -8.514 6.036 1.00 0.00 H new ATOM 0 HA THR A 34 -0.568 -7.723 8.771 1.00 0.00 H new ATOM 0 HB THR A 34 1.759 -8.576 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.244 -10.217 6.912 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.721 -9.535 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.528 -7.770 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.384 -8.847 10.028 1.00 0.00 H new ATOM 495 N LYS A 35 0.991 -5.501 6.925 1.00 0.00 N ATOM 496 CA LYS A 35 1.402 -4.093 6.976 1.00 0.00 C ATOM 497 C LYS A 35 0.274 -3.161 7.429 1.00 0.00 C ATOM 498 O LYS A 35 0.559 -2.007 7.772 1.00 0.00 O ATOM 499 CB LYS A 35 1.949 -3.622 5.612 1.00 0.00 C ATOM 500 CG LYS A 35 3.465 -3.806 5.432 1.00 0.00 C ATOM 501 CD LYS A 35 4.064 -2.771 4.469 1.00 0.00 C ATOM 502 CE LYS A 35 5.592 -2.871 4.353 1.00 0.00 C ATOM 503 NZ LYS A 35 6.317 -2.242 5.482 1.00 0.00 N ATOM 0 H LYS A 35 1.022 -5.904 5.988 1.00 0.00 H new ATOM 0 HA LYS A 35 2.195 -4.038 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.434 -4.167 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.706 -2.567 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.957 -3.725 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.665 -4.809 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.621 -2.903 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.796 -1.770 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.875 -3.922 4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.909 -2.400 3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.342 -2.347 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.076 -1.232 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.043 -2.706 6.372 1.00 0.00 H new ATOM 517 N ILE A 36 -0.978 -3.613 7.425 1.00 0.00 N ATOM 518 CA ILE A 36 -2.132 -2.866 7.909 1.00 0.00 C ATOM 519 C ILE A 36 -2.837 -3.617 9.057 1.00 0.00 C ATOM 520 O ILE A 36 -3.863 -3.153 9.551 1.00 0.00 O ATOM 521 CB ILE A 36 -3.042 -2.473 6.720 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.849 -3.639 6.140 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.232 -1.778 5.607 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.904 -3.192 5.123 1.00 0.00 C ATOM 0 H ILE A 36 -1.223 -4.539 7.073 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.813 -1.925 8.358 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.769 -1.773 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.167 -4.343 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.340 -4.173 6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.897 -1.513 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.768 -0.875 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.458 -2.454 5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.441 -4.064 4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.607 -2.511 5.603 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.416 -2.683 4.292 1.00 0.00 H new ATOM 536 N ASN A 37 -2.253 -4.726 9.527 1.00 0.00 N ATOM 537 CA ASN A 37 -2.779 -5.680 10.510 1.00 0.00 C ATOM 538 C ASN A 37 -4.151 -6.282 10.147 1.00 0.00 C ATOM 539 O ASN A 37 -4.934 -6.642 11.021 1.00 0.00 O ATOM 540 CB ASN A 37 -2.719 -5.099 11.931 1.00 0.00 C ATOM 541 CG ASN A 37 -2.907 -6.204 12.964 1.00 0.00 C ATOM 542 OD1 ASN A 37 -2.148 -7.172 12.985 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.883 -6.086 13.845 1.00 0.00 N ATOM 0 H ASN A 37 -1.326 -5.001 9.203 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.113 -6.543 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.761 -4.604 12.088 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.493 -4.341 12.054 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.017 -6.804 14.557 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.503 -5.277 13.814 1.00 0.00 H new ATOM 550 N GLU A 38 -4.433 -6.436 8.855 1.00 0.00 N ATOM 551 CA GLU A 38 -5.654 -7.035 8.320 1.00 0.00 C ATOM 552 C GLU A 38 -5.381 -8.440 7.777 1.00 0.00 C ATOM 553 O GLU A 38 -4.267 -8.975 7.899 1.00 0.00 O ATOM 554 CB GLU A 38 -6.230 -6.125 7.219 1.00 0.00 C ATOM 555 CG GLU A 38 -6.924 -4.891 7.808 1.00 0.00 C ATOM 556 CD GLU A 38 -8.277 -5.308 8.374 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.259 -5.332 7.596 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.368 -5.778 9.523 1.00 0.00 O ATOM 0 H GLU A 38 -3.791 -6.135 8.122 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.385 -7.130 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.428 -5.808 6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.941 -6.689 6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.308 -4.450 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.056 -4.130 7.039 1.00 0.00 H new ATOM 565 N LYS A 39 -6.421 -9.056 7.206 1.00 0.00 N ATOM 566 CA LYS A 39 -6.415 -10.381 6.594 1.00 0.00 C ATOM 567 C LYS A 39 -5.946 -10.321 5.144 1.00 0.00 C ATOM 568 O LYS A 39 -6.313 -9.395 4.426 1.00 0.00 O ATOM 569 CB LYS A 39 -7.841 -10.931 6.597 1.00 0.00 C ATOM 570 CG LYS A 39 -8.291 -11.155 8.035 1.00 0.00 C ATOM 571 CD LYS A 39 -9.755 -11.532 8.136 1.00 0.00 C ATOM 572 CE LYS A 39 -9.998 -11.938 9.591 1.00 0.00 C ATOM 573 NZ LYS A 39 -11.414 -12.228 9.831 1.00 0.00 N ATOM 0 H LYS A 39 -7.340 -8.615 7.158 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.736 -11.014 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.513 -10.233 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.883 -11.867 6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.685 -11.943 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.113 -10.248 8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.392 -10.693 7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.992 -12.353 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.399 -12.816 9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.671 -11.137 10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.549 -12.500 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.982 -11.382 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.718 -13.008 9.214 1.00 0.00 H new ATOM 587 N PRO A 40 -5.235 -11.344 4.654 1.00 0.00 N ATOM 588 CA PRO A 40 -4.900 -11.467 3.243 1.00 0.00 C ATOM 589 C PRO A 40 -6.142 -11.662 2.376 1.00 0.00 C ATOM 590 O PRO A 40 -6.080 -11.428 1.169 1.00 0.00 O ATOM 591 CB PRO A 40 -3.932 -12.646 3.171 1.00 0.00 C ATOM 592 CG PRO A 40 -4.225 -13.472 4.422 1.00 0.00 C ATOM 593 CD PRO A 40 -4.754 -12.468 5.426 1.00 0.00 C ATOM 0 HA PRO A 40 -4.444 -10.559 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.089 -13.232 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.896 -12.307 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.957 -14.253 4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.326 -13.966 4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.555 -12.901 6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.970 -12.159 6.118 1.00 0.00 H new ATOM 601 N GLN A 41 -7.266 -12.094 2.962 1.00 0.00 N ATOM 602 CA GLN A 41 -8.508 -12.217 2.225 1.00 0.00 C ATOM 603 C GLN A 41 -8.996 -10.851 1.750 1.00 0.00 C ATOM 604 O GLN A 41 -9.385 -10.749 0.586 1.00 0.00 O ATOM 605 CB GLN A 41 -9.578 -12.947 3.055 1.00 0.00 C ATOM 606 CG GLN A 41 -10.852 -13.227 2.241 1.00 0.00 C ATOM 607 CD GLN A 41 -10.560 -14.050 0.986 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.518 -15.280 1.023 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.301 -13.415 -0.145 1.00 0.00 N ATOM 0 H GLN A 41 -7.330 -12.361 3.944 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.318 -12.824 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.170 -13.888 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.831 -12.346 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.571 -13.759 2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.315 -12.282 1.956 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.335 -12.396 -0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.067 -13.944 -0.985 1.00 0.00 H new ATOM 618 N VAL A 42 -9.002 -9.840 2.628 1.00 0.00 N ATOM 619 CA VAL A 42 -9.581 -8.555 2.263 1.00 0.00 C ATOM 620 C VAL A 42 -8.708 -7.859 1.215 1.00 0.00 C ATOM 621 O VAL A 42 -9.233 -7.210 0.332 1.00 0.00 O ATOM 622 CB VAL A 42 -9.938 -7.696 3.498 1.00 0.00 C ATOM 623 CG1 VAL A 42 -10.757 -8.514 4.518 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.741 -7.078 4.229 1.00 0.00 C ATOM 0 H VAL A 42 -8.621 -9.890 3.573 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.546 -8.722 1.785 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.520 -6.871 3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.996 -7.888 5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.680 -8.858 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.174 -9.375 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.095 -6.495 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.081 -7.871 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.194 -6.428 3.546 1.00 0.00 H new ATOM 634 N ILE A 43 -7.385 -8.046 1.209 1.00 0.00 N ATOM 635 CA ILE A 43 -6.552 -7.398 0.194 1.00 0.00 C ATOM 636 C ILE A 43 -6.898 -7.936 -1.198 1.00 0.00 C ATOM 637 O ILE A 43 -7.039 -7.169 -2.152 1.00 0.00 O ATOM 638 CB ILE A 43 -5.063 -7.553 0.534 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.754 -7.196 2.002 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.217 -6.719 -0.437 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.229 -5.816 2.488 1.00 0.00 C ATOM 0 H ILE A 43 -6.878 -8.626 1.878 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.761 -6.328 0.187 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.801 -8.605 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.205 -7.956 2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.675 -7.256 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.161 -6.833 -0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.390 -7.061 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.497 -5.669 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.953 -5.684 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.759 -5.037 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.312 -5.748 2.387 1.00 0.00 H new ATOM 653 N ALA A 44 -7.046 -9.259 -1.309 1.00 0.00 N ATOM 654 CA ALA A 44 -7.494 -9.877 -2.548 1.00 0.00 C ATOM 655 C ALA A 44 -8.898 -9.407 -2.943 1.00 0.00 C ATOM 656 O ALA A 44 -9.200 -9.323 -4.134 1.00 0.00 O ATOM 657 CB ALA A 44 -7.436 -11.400 -2.420 1.00 0.00 C ATOM 0 H ALA A 44 -6.861 -9.918 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.821 -9.565 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.773 -11.856 -3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.411 -11.709 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.083 -11.721 -1.604 1.00 0.00 H new ATOM 663 N ASP A 45 -9.764 -9.115 -1.970 1.00 0.00 N ATOM 664 CA ASP A 45 -11.051 -8.466 -2.199 1.00 0.00 C ATOM 665 C ASP A 45 -10.827 -7.049 -2.769 1.00 0.00 C ATOM 666 O ASP A 45 -11.341 -6.774 -3.851 1.00 0.00 O ATOM 667 CB ASP A 45 -11.949 -8.521 -0.940 1.00 0.00 C ATOM 668 CG ASP A 45 -12.355 -7.160 -0.498 1.00 0.00 C ATOM 669 OD1 ASP A 45 -13.072 -6.563 -1.331 1.00 0.00 O ATOM 670 OD2 ASP A 45 -11.980 -6.784 0.631 1.00 0.00 O ATOM 0 H ASP A 45 -9.586 -9.327 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.612 -9.016 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.838 -9.116 -1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.415 -9.022 -0.133 1.00 0.00 H new ATOM 675 N TYR A 46 -10.090 -6.161 -2.090 1.00 0.00 N ATOM 676 CA TYR A 46 -9.811 -4.782 -2.491 1.00 0.00 C ATOM 677 C TYR A 46 -9.260 -4.687 -3.915 1.00 0.00 C ATOM 678 O TYR A 46 -9.580 -3.724 -4.613 1.00 0.00 O ATOM 679 CB TYR A 46 -8.795 -4.158 -1.523 1.00 0.00 C ATOM 680 CG TYR A 46 -9.361 -3.324 -0.387 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.907 -3.951 0.746 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.269 -1.917 -0.423 1.00 0.00 C ATOM 683 CE1 TYR A 46 -10.365 -3.192 1.833 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.753 -1.145 0.650 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.334 -1.781 1.770 1.00 0.00 C ATOM 686 OH TYR A 46 -10.885 -1.028 2.763 1.00 0.00 O ATOM 0 H TYR A 46 -9.651 -6.400 -1.201 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.757 -4.242 -2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.198 -4.961 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.115 -3.531 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.975 -5.028 0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.825 -1.429 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.741 -3.686 2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.680 -0.068 0.617 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.826 -1.513 3.612 1.00 0.00 H new ATOM 696 N GLU A 47 -8.448 -5.648 -4.362 1.00 0.00 N ATOM 697 CA GLU A 47 -7.945 -5.669 -5.734 1.00 0.00 C ATOM 698 C GLU A 47 -9.063 -5.937 -6.754 1.00 0.00 C ATOM 699 O GLU A 47 -8.951 -5.505 -7.903 1.00 0.00 O ATOM 700 CB GLU A 47 -6.776 -6.659 -5.859 1.00 0.00 C ATOM 701 CG GLU A 47 -5.459 -5.968 -5.479 1.00 0.00 C ATOM 702 CD GLU A 47 -4.282 -6.939 -5.438 1.00 0.00 C ATOM 703 OE1 GLU A 47 -3.896 -7.540 -6.469 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.680 -7.122 -4.363 1.00 0.00 O ATOM 0 H GLU A 47 -8.124 -6.426 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.561 -4.677 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.946 -7.518 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.716 -7.037 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.248 -5.175 -6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.569 -5.494 -4.504 1.00 0.00 H new ATOM 711 N SER A 48 -10.156 -6.584 -6.347 1.00 0.00 N ATOM 712 CA SER A 48 -11.417 -6.630 -7.076 1.00 0.00 C ATOM 713 C SER A 48 -12.244 -5.367 -6.796 1.00 0.00 C ATOM 714 O SER A 48 -13.016 -4.942 -7.655 1.00 0.00 O ATOM 715 CB SER A 48 -12.215 -7.856 -6.609 1.00 0.00 C ATOM 716 OG SER A 48 -13.034 -8.407 -7.628 1.00 0.00 O ATOM 0 H SER A 48 -10.185 -7.107 -5.472 1.00 0.00 H new ATOM 0 HA SER A 48 -11.208 -6.690 -8.144 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.523 -8.620 -6.255 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.840 -7.574 -5.761 1.00 0.00 H new ATOM 0 HG SER A 48 -13.516 -9.184 -7.276 1.00 0.00 H new ATOM 722 N GLY A 49 -12.159 -4.789 -5.597 1.00 0.00 N ATOM 723 CA GLY A 49 -12.990 -3.684 -5.170 1.00 0.00 C ATOM 724 C GLY A 49 -14.375 -4.134 -4.717 1.00 0.00 C ATOM 725 O GLY A 49 -15.364 -3.447 -4.991 1.00 0.00 O ATOM 0 H GLY A 49 -11.492 -5.090 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.497 -3.158 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.093 -2.973 -5.990 1.00 0.00 H new ATOM 729 N ARG A 50 -14.489 -5.321 -4.109 1.00 0.00 N ATOM 730 CA ARG A 50 -15.770 -5.807 -3.589 1.00 0.00 C ATOM 731 C ARG A 50 -16.153 -5.009 -2.350 1.00 0.00 C ATOM 732 O ARG A 50 -17.209 -4.370 -2.317 1.00 0.00 O ATOM 733 CB ARG A 50 -15.722 -7.307 -3.328 1.00 0.00 C ATOM 734 CG ARG A 50 -15.898 -8.053 -4.659 1.00 0.00 C ATOM 735 CD ARG A 50 -16.265 -9.494 -4.341 1.00 0.00 C ATOM 736 NE ARG A 50 -15.550 -10.445 -5.204 1.00 0.00 N ATOM 737 CZ ARG A 50 -14.250 -10.752 -5.102 1.00 0.00 C ATOM 738 NH1 ARG A 50 -13.508 -10.263 -4.115 1.00 0.00 N ATOM 739 NH2 ARG A 50 -13.663 -11.548 -5.980 1.00 0.00 N ATOM 0 H ARG A 50 -13.709 -5.962 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.547 -5.654 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.772 -7.579 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.508 -7.593 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.678 -7.584 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.979 -8.013 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.033 -9.706 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.340 -9.630 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.086 -10.908 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.927 -9.644 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.520 -10.506 -4.051 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.201 -11.940 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.672 -11.770 -5.885 1.00 0.00 H new ATOM 753 N ALA A 51 -15.299 -5.070 -1.344 1.00 0.00 N ATOM 754 CA ALA A 51 -15.328 -4.331 -0.108 1.00 0.00 C ATOM 755 C ALA A 51 -15.392 -2.838 -0.425 1.00 0.00 C ATOM 756 O ALA A 51 -14.728 -2.354 -1.349 1.00 0.00 O ATOM 757 CB ALA A 51 -14.067 -4.744 0.660 1.00 0.00 C ATOM 0 H ALA A 51 -14.496 -5.698 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.202 -4.544 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.031 -4.214 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -14.088 -5.818 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.184 -4.493 0.072 1.00 0.00 H new ATOM 763 N ILE A 52 -16.224 -2.110 0.321 1.00 0.00 N ATOM 764 CA ILE A 52 -16.307 -0.666 0.179 1.00 0.00 C ATOM 765 C ILE A 52 -15.032 -0.114 0.814 1.00 0.00 C ATOM 766 O ILE A 52 -14.854 -0.281 2.026 1.00 0.00 O ATOM 767 CB ILE A 52 -17.595 -0.087 0.790 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.799 -0.810 0.141 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.615 1.442 0.563 1.00 0.00 C ATOM 770 CD1 ILE A 52 -20.104 -0.019 0.137 1.00 0.00 C ATOM 0 H ILE A 52 -16.847 -2.501 1.027 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.370 -0.372 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.646 -0.250 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.541 -1.060 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.964 -1.751 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.525 1.862 0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.746 1.892 1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.589 1.651 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -20.886 -0.610 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -20.394 0.209 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.965 0.910 -0.416 1.00 0.00 H new ATOM 782 N PRO A 53 -14.154 0.551 0.045 1.00 0.00 N ATOM 783 CA PRO A 53 -12.852 0.964 0.529 1.00 0.00 C ATOM 784 C PRO A 53 -13.082 2.034 1.593 1.00 0.00 C ATOM 785 O PRO A 53 -13.684 3.073 1.303 1.00 0.00 O ATOM 786 CB PRO A 53 -12.093 1.446 -0.710 1.00 0.00 C ATOM 787 CG PRO A 53 -13.191 1.942 -1.649 1.00 0.00 C ATOM 788 CD PRO A 53 -14.366 1.019 -1.317 1.00 0.00 C ATOM 0 HA PRO A 53 -12.260 0.183 1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.390 2.242 -0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.515 0.640 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.435 2.989 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.896 1.860 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.313 1.552 -1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.409 0.181 -2.013 1.00 0.00 H new ATOM 796 N ASN A 54 -12.714 1.767 2.849 1.00 0.00 N ATOM 797 CA ASN A 54 -13.032 2.672 3.954 1.00 0.00 C ATOM 798 C ASN A 54 -11.831 3.558 4.228 1.00 0.00 C ATOM 799 O ASN A 54 -10.702 3.080 4.151 1.00 0.00 O ATOM 800 CB ASN A 54 -13.418 1.916 5.231 1.00 0.00 C ATOM 801 CG ASN A 54 -13.891 2.899 6.300 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.526 3.905 5.991 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.541 2.682 7.554 1.00 0.00 N ATOM 0 H ASN A 54 -12.196 0.932 3.125 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.893 3.272 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.207 1.197 5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.563 1.349 5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.797 3.353 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.014 1.844 7.799 1.00 0.00 H new ATOM 810 N ASN A 55 -12.052 4.830 4.564 1.00 0.00 N ATOM 811 CA ASN A 55 -10.981 5.822 4.672 1.00 0.00 C ATOM 812 C ASN A 55 -9.967 5.399 5.746 1.00 0.00 C ATOM 813 O ASN A 55 -8.763 5.506 5.507 1.00 0.00 O ATOM 814 CB ASN A 55 -11.535 7.242 4.910 1.00 0.00 C ATOM 815 CG ASN A 55 -12.762 7.548 4.051 1.00 0.00 C ATOM 816 OD1 ASN A 55 -13.891 7.267 4.449 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.601 8.032 2.834 1.00 0.00 N ATOM 0 H ASN A 55 -12.979 5.202 4.769 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.454 5.862 3.719 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.796 7.354 5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.755 7.973 4.696 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.411 8.171 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.667 8.267 2.498 1.00 0.00 H new ATOM 824 N GLN A 56 -10.441 4.838 6.872 1.00 0.00 N ATOM 825 CA GLN A 56 -9.585 4.304 7.936 1.00 0.00 C ATOM 826 C GLN A 56 -8.652 3.170 7.473 1.00 0.00 C ATOM 827 O GLN A 56 -7.636 2.927 8.123 1.00 0.00 O ATOM 828 CB GLN A 56 -10.436 3.768 9.103 1.00 0.00 C ATOM 829 CG GLN A 56 -11.237 4.837 9.861 1.00 0.00 C ATOM 830 CD GLN A 56 -11.972 4.261 11.075 1.00 0.00 C ATOM 831 OE1 GLN A 56 -12.447 3.130 11.070 1.00 0.00 O ATOM 832 NE2 GLN A 56 -12.051 4.999 12.172 1.00 0.00 N ATOM 0 H GLN A 56 -11.438 4.744 7.067 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.966 5.145 8.250 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.129 3.022 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.780 3.258 9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.563 5.628 10.189 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.960 5.294 9.185 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.658 5.940 12.183 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.505 4.626 13.006 1.00 0.00 H new ATOM 841 N VAL A 57 -8.994 2.408 6.435 1.00 0.00 N ATOM 842 CA VAL A 57 -8.158 1.339 5.883 1.00 0.00 C ATOM 843 C VAL A 57 -7.320 1.901 4.742 1.00 0.00 C ATOM 844 O VAL A 57 -6.129 1.621 4.683 1.00 0.00 O ATOM 845 CB VAL A 57 -9.033 0.154 5.420 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.173 -0.970 4.823 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.858 -0.416 6.586 1.00 0.00 C ATOM 0 H VAL A 57 -9.880 2.518 5.942 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.486 0.960 6.653 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.708 0.537 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.816 -1.791 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.621 -0.589 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.471 -1.329 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.464 -1.249 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.186 -0.765 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.509 0.362 6.985 1.00 0.00 H new ATOM 857 N LEU A 58 -7.907 2.708 3.853 1.00 0.00 N ATOM 858 CA LEU A 58 -7.217 3.331 2.729 1.00 0.00 C ATOM 859 C LEU A 58 -5.943 4.017 3.211 1.00 0.00 C ATOM 860 O LEU A 58 -4.881 3.798 2.636 1.00 0.00 O ATOM 861 CB LEU A 58 -8.151 4.333 2.028 1.00 0.00 C ATOM 862 CG LEU A 58 -9.156 3.693 1.053 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.222 4.738 0.711 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.471 3.228 -0.236 1.00 0.00 C ATOM 0 H LEU A 58 -8.897 2.949 3.899 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.938 2.562 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.703 4.888 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.544 5.056 1.482 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.601 2.818 1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.946 4.306 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.731 5.050 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.748 5.603 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.211 2.781 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.008 4.082 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.706 2.489 0.004 1.00 0.00 H new ATOM 876 N GLY A 59 -6.015 4.792 4.299 1.00 0.00 N ATOM 877 CA GLY A 59 -4.839 5.422 4.885 1.00 0.00 C ATOM 878 C GLY A 59 -3.767 4.410 5.314 1.00 0.00 C ATOM 879 O GLY A 59 -2.579 4.637 5.076 1.00 0.00 O ATOM 0 H GLY A 59 -6.885 4.996 4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.408 6.116 4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.142 6.011 5.751 1.00 0.00 H new ATOM 883 N LYS A 60 -4.155 3.265 5.894 1.00 0.00 N ATOM 884 CA LYS A 60 -3.211 2.210 6.245 1.00 0.00 C ATOM 885 C LYS A 60 -2.496 1.692 5.008 1.00 0.00 C ATOM 886 O LYS A 60 -1.290 1.444 5.070 1.00 0.00 O ATOM 887 CB LYS A 60 -3.908 1.046 6.967 1.00 0.00 C ATOM 888 CG LYS A 60 -4.463 1.444 8.328 1.00 0.00 C ATOM 889 CD LYS A 60 -4.810 0.258 9.231 1.00 0.00 C ATOM 890 CE LYS A 60 -6.268 -0.203 9.225 1.00 0.00 C ATOM 891 NZ LYS A 60 -7.155 0.788 9.866 1.00 0.00 N ATOM 0 H LYS A 60 -5.124 3.051 6.129 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.479 2.646 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.720 0.672 6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.200 0.227 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.733 2.073 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.358 2.049 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.185 -0.586 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.539 0.518 10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.592 -0.372 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.351 -1.157 9.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.998 0.308 10.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.648 1.256 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.445 1.499 9.165 1.00 0.00 H new ATOM 905 N ILE A 61 -3.228 1.492 3.914 1.00 0.00 N ATOM 906 CA ILE A 61 -2.687 0.987 2.659 1.00 0.00 C ATOM 907 C ILE A 61 -1.744 2.026 2.055 1.00 0.00 C ATOM 908 O ILE A 61 -0.713 1.648 1.499 1.00 0.00 O ATOM 909 CB ILE A 61 -3.831 0.601 1.702 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.652 -0.548 2.316 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.299 0.183 0.316 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.805 -0.947 1.407 1.00 0.00 C ATOM 0 H ILE A 61 -4.230 1.680 3.877 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.108 0.082 2.840 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.464 1.477 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.006 -1.409 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.040 -0.242 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.136 -0.082 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.747 1.012 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.638 -0.677 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.366 -1.760 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.463 -0.091 1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.413 -1.276 0.445 1.00 0.00 H new ATOM 924 N GLU A 62 -2.026 3.325 2.189 1.00 0.00 N ATOM 925 CA GLU A 62 -1.082 4.326 1.698 1.00 0.00 C ATOM 926 C GLU A 62 0.264 4.141 2.392 1.00 0.00 C ATOM 927 O GLU A 62 1.289 4.041 1.723 1.00 0.00 O ATOM 928 CB GLU A 62 -1.554 5.777 1.901 1.00 0.00 C ATOM 929 CG GLU A 62 -2.813 6.124 1.117 1.00 0.00 C ATOM 930 CD GLU A 62 -3.285 7.571 1.237 1.00 0.00 C ATOM 931 OE1 GLU A 62 -3.000 8.243 2.255 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.020 8.035 0.330 1.00 0.00 O ATOM 0 H GLU A 62 -2.872 3.698 2.619 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.000 4.167 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.739 5.945 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.754 6.455 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.636 5.904 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.619 5.469 1.449 1.00 0.00 H new ATOM 939 N ARG A 63 0.272 3.999 3.723 1.00 0.00 N ATOM 940 CA ARG A 63 1.509 3.728 4.463 1.00 0.00 C ATOM 941 C ARG A 63 2.131 2.377 4.111 1.00 0.00 C ATOM 942 O ARG A 63 3.327 2.189 4.341 1.00 0.00 O ATOM 943 CB ARG A 63 1.282 3.851 5.980 1.00 0.00 C ATOM 944 CG ARG A 63 0.875 5.285 6.346 1.00 0.00 C ATOM 945 CD ARG A 63 1.174 5.640 7.813 1.00 0.00 C ATOM 946 NE ARG A 63 0.005 5.541 8.706 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.737 6.557 9.166 1.00 0.00 C ATOM 948 NH1 ARG A 63 -0.635 7.788 8.653 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.631 6.336 10.119 1.00 0.00 N ATOM 0 H ARG A 63 -0.561 4.067 4.307 1.00 0.00 H new ATOM 0 HA ARG A 63 2.226 4.489 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.506 3.154 6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.192 3.577 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.401 5.983 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.191 5.414 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.958 4.979 8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.567 6.656 7.857 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.266 4.604 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.020 7.971 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.212 8.544 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.751 5.397 10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.199 7.105 10.474 1.00 0.00 H new ATOM 963 N ALA A 64 1.356 1.446 3.559 1.00 0.00 N ATOM 964 CA ALA A 64 1.820 0.118 3.194 1.00 0.00 C ATOM 965 C ALA A 64 2.779 0.167 1.992 1.00 0.00 C ATOM 966 O ALA A 64 3.883 -0.382 2.067 1.00 0.00 O ATOM 967 CB ALA A 64 0.612 -0.794 2.936 1.00 0.00 C ATOM 0 H ALA A 64 0.370 1.601 3.351 1.00 0.00 H new ATOM 0 HA ALA A 64 2.393 -0.299 4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.960 -1.790 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.004 -0.857 3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.013 -0.383 2.124 1.00 0.00 H new ATOM 973 N ILE A 65 2.375 0.810 0.890 1.00 0.00 N ATOM 974 CA ILE A 65 3.171 0.892 -0.350 1.00 0.00 C ATOM 975 C ILE A 65 3.908 2.241 -0.470 1.00 0.00 C ATOM 976 O ILE A 65 4.836 2.358 -1.263 1.00 0.00 O ATOM 977 CB ILE A 65 2.291 0.616 -1.589 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.108 1.600 -1.753 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.809 -0.837 -1.500 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.343 1.436 -3.075 1.00 0.00 C ATOM 0 H ILE A 65 1.479 1.294 0.829 1.00 0.00 H new ATOM 0 HA ILE A 65 3.935 0.116 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 65 2.894 0.774 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.415 1.461 -0.923 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.485 2.621 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.183 -1.066 -2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.670 -1.506 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.231 -0.973 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.471 2.160 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.021 1.604 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.065 0.427 -3.136 1.00 0.00 H new ATOM 992 N GLY A 66 3.517 3.246 0.319 1.00 0.00 N ATOM 993 CA GLY A 66 4.076 4.597 0.331 1.00 0.00 C ATOM 994 C GLY A 66 3.615 5.456 -0.836 1.00 0.00 C ATOM 995 O GLY A 66 4.306 6.405 -1.201 1.00 0.00 O ATOM 0 H GLY A 66 2.765 3.132 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.799 5.088 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.164 4.531 0.316 1.00 0.00 H new ATOM 999 N LEU A 67 2.425 5.185 -1.373 1.00 0.00 N ATOM 1000 CA LEU A 67 1.789 6.006 -2.393 1.00 0.00 C ATOM 1001 C LEU A 67 0.359 6.319 -1.958 1.00 0.00 C ATOM 1002 O LEU A 67 -0.161 5.691 -1.038 1.00 0.00 O ATOM 1003 CB LEU A 67 1.783 5.289 -3.756 1.00 0.00 C ATOM 1004 CG LEU A 67 3.139 4.805 -4.312 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.875 3.981 -5.578 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.120 5.945 -4.632 1.00 0.00 C ATOM 0 H LEU A 67 1.869 4.373 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 67 2.354 6.931 -2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.123 4.425 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.340 5.963 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 67 3.615 4.208 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.822 3.629 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.246 3.126 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.369 4.602 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.050 5.527 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.680 6.604 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.326 6.513 -3.725 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.280 7.292 -2.605 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.669 7.672 -2.394 1.00 0.00 C ATOM 1020 C LYS A 68 -2.576 6.581 -2.929 1.00 0.00 C ATOM 1021 O LYS A 68 -2.303 6.012 -3.986 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.984 8.980 -3.136 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.437 10.199 -2.391 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.831 11.488 -3.122 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.595 12.703 -2.225 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.676 12.889 -1.237 1.00 0.00 N ATOM 0 H LYS A 68 0.178 7.858 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.834 7.813 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.555 8.943 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.063 9.080 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.826 10.217 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.352 10.132 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.249 11.586 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.880 11.442 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.645 12.587 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.513 13.597 -2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.472 13.724 -0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.580 13.026 -1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.739 12.048 -0.629 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.701 6.374 -2.250 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.771 5.443 -2.611 1.00 0.00 C ATOM 1042 C LEU A 69 -6.073 6.223 -2.836 1.00 0.00 C ATOM 1043 O LEU A 69 -7.159 5.653 -2.781 1.00 0.00 O ATOM 1044 CB LEU A 69 -4.903 4.364 -1.520 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.938 3.173 -1.634 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.297 2.237 -2.778 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.461 3.482 -1.842 1.00 0.00 C ATOM 0 H LEU A 69 -3.903 6.877 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.536 4.931 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.754 4.836 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.924 3.982 -1.535 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.066 2.733 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.583 1.414 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.300 1.841 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.265 2.785 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.900 2.550 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.334 4.045 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.091 4.073 -1.004 1.00 0.00 H new ATOM 1059 N ARG A 70 -5.986 7.545 -3.012 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.113 8.464 -3.061 1.00 0.00 C ATOM 1061 C ARG A 70 -6.801 9.573 -4.062 1.00 0.00 C ATOM 1062 O ARG A 70 -5.632 9.809 -4.373 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.330 9.051 -1.657 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.716 7.992 -0.608 1.00 0.00 C ATOM 1065 CD ARG A 70 -7.861 8.628 0.770 1.00 0.00 C ATOM 1066 NE ARG A 70 -6.571 8.856 1.443 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.429 9.509 2.604 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.462 10.157 3.140 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -5.260 9.507 3.230 1.00 0.00 N ATOM 0 H ARG A 70 -5.089 8.017 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.020 7.948 -3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.418 9.555 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.113 9.808 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.653 7.514 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.956 7.211 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.385 9.579 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.481 7.986 1.396 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.730 8.492 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.365 10.157 2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.350 10.653 4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.467 9.008 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.154 10.005 4.114 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.841 10.282 -4.504 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.767 11.300 -5.541 1.00 0.00 C ATOM 1085 C GLY A 71 -7.510 10.667 -6.907 1.00 0.00 C ATOM 1086 O GLY A 71 -7.209 9.475 -7.022 1.00 0.00 O ATOM 0 H GLY A 71 -8.784 10.156 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.698 11.867 -5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.970 12.006 -5.307 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.590 11.468 -7.970 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.062 11.076 -9.280 1.00 0.00 C ATOM 1092 C LYS A 72 -5.535 10.993 -9.210 1.00 0.00 C ATOM 1093 O LYS A 72 -4.936 10.223 -9.950 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.571 12.047 -10.363 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.171 11.656 -11.799 1.00 0.00 C ATOM 1096 CD LYS A 72 -5.966 12.467 -12.289 1.00 0.00 C ATOM 1097 CE LYS A 72 -5.413 11.972 -13.626 1.00 0.00 C ATOM 1098 NZ LYS A 72 -6.296 12.250 -14.781 1.00 0.00 N ATOM 0 H LYS A 72 -8.016 12.395 -7.951 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.423 10.086 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.658 12.103 -10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.188 13.045 -10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.934 10.593 -11.835 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.015 11.817 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.256 13.513 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.177 12.424 -11.538 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.444 12.438 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.243 10.897 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.856 11.886 -15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.214 11.783 -14.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.440 13.276 -14.869 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.913 11.717 -8.278 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.479 11.709 -7.974 1.00 0.00 C ATOM 1114 C ASP A 73 -3.050 10.428 -7.233 1.00 0.00 C ATOM 1115 O ASP A 73 -2.034 10.423 -6.537 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.106 12.961 -7.156 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.640 14.246 -7.781 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.056 14.742 -8.772 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -4.639 14.795 -7.261 1.00 0.00 O ATOM 0 H ASP A 73 -5.426 12.363 -7.679 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.940 11.725 -8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.500 12.861 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.021 13.026 -7.070 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.819 9.340 -7.326 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.461 8.039 -6.805 1.00 0.00 C ATOM 1126 C ILE A 74 -2.086 7.612 -7.341 1.00 0.00 C ATOM 1127 O ILE A 74 -1.699 8.002 -8.444 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.610 7.070 -7.170 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.638 5.984 -6.099 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.613 6.622 -8.645 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -5.784 4.982 -6.199 1.00 0.00 C ATOM 0 H ILE A 74 -4.732 9.351 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.352 8.045 -5.721 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.577 7.573 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.697 5.436 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.685 6.465 -5.122 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.449 5.945 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.714 7.495 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.678 6.109 -8.871 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.705 4.257 -5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.735 5.509 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.732 4.464 -7.156 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.340 6.795 -6.599 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.032 6.329 -7.047 1.00 0.00 C ATOM 1145 C GLY A 75 1.064 7.405 -7.010 1.00 0.00 C ATOM 1146 O GLY A 75 2.237 7.072 -7.195 1.00 0.00 O ATOM 0 H GLY A 75 -1.621 6.443 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.276 5.490 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.122 5.952 -8.066 1.00 0.00 H new ATOM 1150 N LYS A 76 0.748 8.672 -6.724 1.00 0.00 N ATOM 1151 CA LYS A 76 1.728 9.669 -6.329 1.00 0.00 C ATOM 1152 C LYS A 76 2.200 9.317 -4.919 1.00 0.00 C ATOM 1153 O LYS A 76 1.416 8.792 -4.133 1.00 0.00 O ATOM 1154 CB LYS A 76 1.107 11.073 -6.322 1.00 0.00 C ATOM 1155 CG LYS A 76 0.644 11.522 -7.710 1.00 0.00 C ATOM 1156 CD LYS A 76 1.754 12.148 -8.544 1.00 0.00 C ATOM 1157 CE LYS A 76 1.206 12.359 -9.957 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.263 12.681 -10.935 1.00 0.00 N ATOM 0 H LYS A 76 -0.206 9.030 -6.763 1.00 0.00 H new ATOM 0 HA LYS A 76 2.558 9.671 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.258 11.087 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.837 11.786 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.238 10.663 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.167 12.242 -7.599 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.071 13.096 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.630 11.499 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.682 11.458 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.473 13.166 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.838 12.814 -11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.747 13.555 -10.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.950 11.901 -10.973 1.00 0.00 H new ATOM 1172 N PRO A 77 3.449 9.613 -4.568 1.00 0.00 N ATOM 1173 CA PRO A 77 4.032 9.237 -3.291 1.00 0.00 C ATOM 1174 C PRO A 77 3.436 10.048 -2.139 1.00 0.00 C ATOM 1175 O PRO A 77 2.898 11.141 -2.348 1.00 0.00 O ATOM 1176 CB PRO A 77 5.536 9.430 -3.469 1.00 0.00 C ATOM 1177 CG PRO A 77 5.681 10.388 -4.650 1.00 0.00 C ATOM 1178 CD PRO A 77 4.389 10.251 -5.450 1.00 0.00 C ATOM 0 HA PRO A 77 3.813 8.205 -3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.989 9.844 -2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.034 8.481 -3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.824 11.413 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.548 10.132 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.023 11.226 -5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.547 9.656 -6.350 1.00 0.00 H new ATOM 1186 N ILE A 78 3.544 9.528 -0.912 1.00 0.00 N ATOM 1187 CA ILE A 78 3.082 10.207 0.298 1.00 0.00 C ATOM 1188 C ILE A 78 4.292 10.734 1.072 1.00 0.00 C ATOM 1189 O ILE A 78 5.302 10.035 1.188 1.00 0.00 O ATOM 1190 CB ILE A 78 2.160 9.303 1.155 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.761 7.949 1.587 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.873 8.998 0.378 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.056 7.322 2.799 1.00 0.00 C ATOM 0 H ILE A 78 3.959 8.614 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 78 2.462 11.059 0.018 1.00 0.00 H new ATOM 0 HB ILE A 78 1.990 9.878 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.710 7.254 0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.816 8.088 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.225 8.362 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.356 9.930 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.122 8.485 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.532 6.373 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.129 7.997 3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.006 7.151 2.561 1.00 0.00 H new