USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 300 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 907 CYS SG : rot 135:sc= -1.87 USER MOD Set 1.2: A 915 CYS SG : rot 161:sc= -1.26 USER MOD Set 1.3: A 921 CYS SG : rot -140:sc= -0.909 USER MOD Set 1.4: A 925 HIS : no HE2:sc= -3.11! X(o=-7.1!,f=-7.4) USER MOD Set 2.1: A 919 ASN : amide:sc= -0.571 X(o=-0.42,f=-0.5) USER MOD Set 2.2: A 920 SER OG : rot 36:sc= 0.148 USER MOD Single : A 897 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 901 THR OG1 : rot 160:sc= 0 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 10:sc= 0.0367 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl -179:sc= -2.12! (180deg=-2.2!) USER MOD Single : A 912 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.36) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -162:sc= -0.0365 (180deg=-0.284) USER MOD Single : A 927 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.19) USER MOD Single : A 931 HIS : no HD1:sc= -2.11 X(o=-2.1,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.241 -1.501 -0.592 1.00 0.00 N ATOM 156 CA HIS A 897 -1.164 -2.405 -0.205 1.00 0.00 C ATOM 157 C HIS A 897 -0.547 -1.977 1.124 1.00 0.00 C ATOM 158 O HIS A 897 -0.999 -1.018 1.748 1.00 0.00 O ATOM 159 CB HIS A 897 -0.088 -2.445 -1.290 1.00 0.00 C ATOM 160 CG HIS A 897 -0.466 -3.276 -2.478 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.686 -2.742 -3.730 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.661 -4.610 -2.599 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.002 -3.712 -4.570 1.00 0.00 C ATOM 164 NE2 HIS A 897 -0.993 -4.855 -3.909 1.00 0.00 N ATOM 0 HA HIS A 897 -1.586 -3.403 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS A 897 0.121 -1.428 -1.620 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.834 -2.837 -0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.572 -5.345 -1.812 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.229 -3.590 -5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -1.199 -5.771 -4.307 1.00 0.00 H new ATOM 172 N ARG A 898 0.486 -2.696 1.550 1.00 0.00 N ATOM 173 CA ARG A 898 1.163 -2.393 2.805 1.00 0.00 C ATOM 174 C ARG A 898 1.781 -0.998 2.765 1.00 0.00 C ATOM 175 O ARG A 898 2.886 -0.811 2.256 1.00 0.00 O ATOM 176 CB ARG A 898 2.247 -3.434 3.090 1.00 0.00 C ATOM 177 CG ARG A 898 1.697 -4.821 3.380 1.00 0.00 C ATOM 178 CD ARG A 898 1.637 -5.671 2.121 1.00 0.00 C ATOM 179 NE ARG A 898 1.342 -7.070 2.418 1.00 0.00 N ATOM 180 CZ ARG A 898 1.684 -8.079 1.624 1.00 0.00 C ATOM 181 NH1 ARG A 898 2.331 -7.844 0.491 1.00 0.00 N ATOM 182 NH2 ARG A 898 1.381 -9.325 1.964 1.00 0.00 N ATOM 0 H ARG A 898 0.873 -3.493 1.044 1.00 0.00 H new ATOM 0 HA ARG A 898 0.423 -2.422 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.919 -3.490 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.842 -3.103 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.323 -5.314 4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.699 -4.735 3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.874 -5.274 1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 898 2.589 -5.605 1.594 1.00 0.00 H new ATOM 0 HE ARG A 898 0.846 -7.285 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 898 2.567 -6.887 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 898 2.593 -8.620 -0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 898 0.885 -9.509 2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 898 1.644 -10.099 1.353 1.00 0.00 H new ATOM 196 N PHE A 899 1.060 -0.021 3.306 1.00 0.00 N ATOM 197 CA PHE A 899 1.536 1.357 3.332 1.00 0.00 C ATOM 198 C PHE A 899 3.056 1.404 3.448 1.00 0.00 C ATOM 199 O PHE A 899 3.673 0.630 4.179 1.00 0.00 O ATOM 200 CB PHE A 899 0.900 2.117 4.498 1.00 0.00 C ATOM 201 CG PHE A 899 1.123 3.601 4.439 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.380 4.136 4.669 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.075 4.461 4.153 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.589 5.501 4.615 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.278 5.827 4.097 1.00 0.00 C ATOM 206 CZ PHE A 899 1.536 6.348 4.329 1.00 0.00 C ATOM 0 H PHE A 899 0.144 -0.158 3.732 1.00 0.00 H new ATOM 0 HA PHE A 899 1.245 1.834 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 899 -0.172 1.919 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.305 1.734 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.207 3.478 4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.911 4.060 3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.574 5.905 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.547 6.487 3.872 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.696 7.415 4.287 1.00 0.00 H new ATOM 216 N PRO A 900 3.676 2.336 2.707 1.00 0.00 N ATOM 217 CA PRO A 900 5.132 2.508 2.709 1.00 0.00 C ATOM 218 C PRO A 900 5.648 3.072 4.028 1.00 0.00 C ATOM 219 O PRO A 900 5.556 4.274 4.280 1.00 0.00 O ATOM 220 CB PRO A 900 5.373 3.503 1.571 1.00 0.00 C ATOM 221 CG PRO A 900 4.097 4.262 1.455 1.00 0.00 C ATOM 222 CD PRO A 900 3.004 3.292 1.813 1.00 0.00 C ATOM 0 HA PRO A 900 5.654 1.560 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.209 4.166 1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.614 2.989 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.092 5.121 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 900 3.962 4.646 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.172 3.790 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.599 2.799 0.929 1.00 0.00 H new ATOM 230 N THR A 901 6.191 2.198 4.869 1.00 0.00 N ATOM 231 CA THR A 901 6.721 2.609 6.163 1.00 0.00 C ATOM 232 C THR A 901 7.421 3.960 6.066 1.00 0.00 C ATOM 233 O THR A 901 7.432 4.734 7.022 1.00 0.00 O ATOM 234 CB THR A 901 7.711 1.569 6.721 1.00 0.00 C ATOM 235 OG1 THR A 901 8.835 1.443 5.843 1.00 0.00 O ATOM 236 CG2 THR A 901 7.037 0.216 6.888 1.00 0.00 C ATOM 0 H THR A 901 6.275 1.200 4.677 1.00 0.00 H new ATOM 0 HA THR A 901 5.872 2.691 6.841 1.00 0.00 H new ATOM 0 HB THR A 901 8.051 1.911 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.588 1.048 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.755 -0.502 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.200 0.310 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.672 -0.131 5.921 1.00 0.00 H new ATOM 244 N GLY A 902 8.005 4.237 4.905 1.00 0.00 N ATOM 245 CA GLY A 902 8.699 5.495 4.705 1.00 0.00 C ATOM 246 C GLY A 902 9.891 5.360 3.777 1.00 0.00 C ATOM 247 O GLY A 902 10.428 6.357 3.296 1.00 0.00 O ATOM 0 H GLY A 902 8.010 3.612 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.004 6.228 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.035 5.878 5.669 1.00 0.00 H new ATOM 251 N TYR A 903 10.306 4.123 3.527 1.00 0.00 N ATOM 252 CA TYR A 903 11.444 3.861 2.654 1.00 0.00 C ATOM 253 C TYR A 903 11.017 3.852 1.190 1.00 0.00 C ATOM 254 O TYR A 903 9.901 3.449 0.858 1.00 0.00 O ATOM 255 CB TYR A 903 12.092 2.523 3.015 1.00 0.00 C ATOM 256 CG TYR A 903 12.828 2.544 4.336 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.148 2.746 5.530 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.205 2.362 4.389 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.816 2.766 6.739 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.882 2.380 5.594 1.00 0.00 C ATOM 261 CZ TYR A 903 14.183 2.583 6.765 1.00 0.00 C ATOM 262 OH TYR A 903 14.853 2.601 7.968 1.00 0.00 O ATOM 0 H TYR A 903 9.872 3.286 3.916 1.00 0.00 H new ATOM 0 HA TYR A 903 12.171 4.661 2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.321 1.753 3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.788 2.241 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.078 2.890 5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.755 2.204 3.473 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.271 2.924 7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.952 2.236 5.618 1.00 0.00 H new ATOM 0 HH TYR A 903 15.810 2.456 7.812 1.00 0.00 H new ATOM 272 N PHE A 904 11.913 4.300 0.316 1.00 0.00 N ATOM 273 CA PHE A 904 11.630 4.345 -1.114 1.00 0.00 C ATOM 274 C PHE A 904 12.585 3.439 -1.885 1.00 0.00 C ATOM 275 O PHE A 904 13.181 3.851 -2.880 1.00 0.00 O ATOM 276 CB PHE A 904 11.741 5.781 -1.632 1.00 0.00 C ATOM 277 CG PHE A 904 11.611 5.891 -3.124 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.547 5.299 -3.786 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.553 6.586 -3.865 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.424 5.399 -5.159 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.435 6.690 -5.238 1.00 0.00 C ATOM 282 CZ PHE A 904 11.370 6.095 -5.886 1.00 0.00 C ATOM 0 H PHE A 904 12.841 4.637 0.573 1.00 0.00 H new ATOM 0 HA PHE A 904 10.612 3.988 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.968 6.389 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.702 6.196 -1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.805 4.753 -3.222 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.389 7.052 -3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.590 4.934 -5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.175 7.236 -5.804 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.277 6.174 -6.959 1.00 0.00 H new ATOM 292 N SER A 905 12.724 2.202 -1.419 1.00 0.00 N ATOM 293 CA SER A 905 13.609 1.238 -2.061 1.00 0.00 C ATOM 294 C SER A 905 12.997 -0.159 -2.041 1.00 0.00 C ATOM 295 O SER A 905 12.191 -0.483 -1.168 1.00 0.00 O ATOM 296 CB SER A 905 14.971 1.220 -1.364 1.00 0.00 C ATOM 297 OG SER A 905 15.754 2.338 -1.745 1.00 0.00 O ATOM 0 H SER A 905 12.235 1.844 -0.599 1.00 0.00 H new ATOM 0 HA SER A 905 13.744 1.542 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.830 1.222 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.499 0.300 -1.615 1.00 0.00 H new ATOM 0 HG SER A 905 15.201 2.966 -2.255 1.00 0.00 H new ATOM 303 N ILE A 906 13.385 -0.983 -3.009 1.00 0.00 N ATOM 304 CA ILE A 906 12.876 -2.345 -3.102 1.00 0.00 C ATOM 305 C ILE A 906 13.673 -3.293 -2.213 1.00 0.00 C ATOM 306 O ILE A 906 14.854 -3.065 -1.946 1.00 0.00 O ATOM 307 CB ILE A 906 12.917 -2.863 -4.552 1.00 0.00 C ATOM 308 CG1 ILE A 906 12.068 -1.971 -5.460 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.433 -4.304 -4.613 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.580 -2.113 -5.227 1.00 0.00 C ATOM 0 H ILE A 906 14.050 -0.731 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 906 11.840 -2.318 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 906 13.948 -2.831 -4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 906 12.354 -0.931 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.289 -2.210 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.468 -4.656 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.075 -4.930 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.409 -4.360 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 906 10.041 -1.452 -5.905 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.280 -3.145 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.346 -1.845 -4.197 1.00 0.00 H new ATOM 322 N CYS A 907 13.021 -4.357 -1.757 1.00 0.00 N ATOM 323 CA CYS A 907 13.668 -5.341 -0.898 1.00 0.00 C ATOM 324 C CYS A 907 14.436 -6.366 -1.728 1.00 0.00 C ATOM 325 O CYS A 907 13.850 -7.097 -2.527 1.00 0.00 O ATOM 326 CB CYS A 907 12.630 -6.049 -0.025 1.00 0.00 C ATOM 327 SG CYS A 907 13.345 -7.162 1.227 1.00 0.00 S ATOM 0 H CYS A 907 12.044 -4.560 -1.968 1.00 0.00 H new ATOM 0 HA CYS A 907 14.375 -4.816 -0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 907 12.021 -5.298 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.962 -6.623 -0.667 1.00 0.00 H new ATOM 0 HG CYS A 907 12.751 -6.971 2.368 1.00 0.00 H new ATOM 332 N ASP A 908 15.749 -6.414 -1.532 1.00 0.00 N ATOM 333 CA ASP A 908 16.597 -7.350 -2.260 1.00 0.00 C ATOM 334 C ASP A 908 16.171 -8.790 -1.994 1.00 0.00 C ATOM 335 O ASP A 908 16.200 -9.632 -2.892 1.00 0.00 O ATOM 336 CB ASP A 908 18.062 -7.157 -1.865 1.00 0.00 C ATOM 337 CG ASP A 908 18.704 -5.982 -2.576 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.623 -5.924 -3.821 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.286 -5.119 -1.887 1.00 0.00 O ATOM 0 H ASP A 908 16.249 -5.815 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 908 16.486 -7.149 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.128 -7.006 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.620 -8.065 -2.094 1.00 0.00 H new ATOM 344 N ARG A 909 15.776 -9.066 -0.756 1.00 0.00 N ATOM 345 CA ARG A 909 15.345 -10.404 -0.371 1.00 0.00 C ATOM 346 C ARG A 909 14.095 -10.816 -1.142 1.00 0.00 C ATOM 347 O ARG A 909 14.016 -11.925 -1.670 1.00 0.00 O ATOM 348 CB ARG A 909 15.073 -10.463 1.133 1.00 0.00 C ATOM 349 CG ARG A 909 16.282 -10.116 1.986 1.00 0.00 C ATOM 350 CD ARG A 909 16.306 -8.638 2.342 1.00 0.00 C ATOM 351 NE ARG A 909 17.082 -8.379 3.552 1.00 0.00 N ATOM 352 CZ ARG A 909 17.360 -7.160 4.001 1.00 0.00 C ATOM 353 NH1 ARG A 909 16.926 -6.093 3.343 1.00 0.00 N ATOM 354 NH2 ARG A 909 18.072 -7.006 5.109 1.00 0.00 N ATOM 0 H ARG A 909 15.746 -8.380 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 909 16.147 -11.101 -0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.261 -9.777 1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.732 -11.465 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.268 -10.711 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.194 -10.377 1.450 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.729 -8.072 1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.285 -8.282 2.483 1.00 0.00 H new ATOM 0 HE ARG A 909 17.430 -9.178 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 909 16.378 -6.208 2.491 1.00 0.00 H new ATOM 0 HH12 ARG A 909 17.141 -5.158 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 909 18.407 -7.824 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 909 18.285 -6.069 5.453 1.00 0.00 H new ATOM 368 N TYR A 910 13.120 -9.916 -1.201 1.00 0.00 N ATOM 369 CA TYR A 910 11.872 -10.186 -1.905 1.00 0.00 C ATOM 370 C TYR A 910 12.102 -10.273 -3.410 1.00 0.00 C ATOM 371 O TYR A 910 11.658 -11.216 -4.064 1.00 0.00 O ATOM 372 CB TYR A 910 10.842 -9.097 -1.597 1.00 0.00 C ATOM 373 CG TYR A 910 9.601 -9.176 -2.458 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.567 -10.048 -2.140 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.464 -8.381 -3.589 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.431 -10.124 -2.923 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.332 -8.450 -4.377 1.00 0.00 C ATOM 378 CZ TYR A 910 7.318 -9.323 -4.041 1.00 0.00 C ATOM 379 OH TYR A 910 6.190 -9.395 -4.824 1.00 0.00 O ATOM 0 H TYR A 910 13.170 -8.993 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 910 11.490 -11.146 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.552 -9.169 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.307 -8.120 -1.733 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.653 -10.677 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.256 -7.697 -3.857 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.636 -10.807 -2.661 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.241 -7.824 -5.252 1.00 0.00 H new ATOM 0 HH TYR A 910 6.269 -8.765 -5.571 1.00 0.00 H new ATOM 389 N MET A 911 12.802 -9.281 -3.953 1.00 0.00 N ATOM 390 CA MET A 911 13.094 -9.245 -5.381 1.00 0.00 C ATOM 391 C MET A 911 13.840 -10.503 -5.815 1.00 0.00 C ATOM 392 O MET A 911 13.617 -11.022 -6.908 1.00 0.00 O ATOM 393 CB MET A 911 13.920 -8.004 -5.723 1.00 0.00 C ATOM 394 CG MET A 911 13.076 -6.784 -6.053 1.00 0.00 C ATOM 395 SD MET A 911 12.149 -6.975 -7.588 1.00 0.00 S ATOM 396 CE MET A 911 10.467 -6.949 -6.973 1.00 0.00 C ATOM 0 H MET A 911 13.177 -8.493 -3.426 1.00 0.00 H new ATOM 0 HA MET A 911 12.147 -9.202 -5.919 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.571 -7.768 -4.882 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.565 -8.230 -6.572 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.381 -6.596 -5.235 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.722 -5.910 -6.130 1.00 0.00 H new ATOM 0 HE1 MET A 911 9.774 -7.075 -7.804 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.328 -7.760 -6.258 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.274 -5.996 -6.481 1.00 0.00 H new ATOM 406 N ASN A 912 14.728 -10.986 -4.952 1.00 0.00 N ATOM 407 CA ASN A 912 15.508 -12.183 -5.247 1.00 0.00 C ATOM 408 C ASN A 912 14.608 -13.413 -5.323 1.00 0.00 C ATOM 409 O ASN A 912 14.660 -14.174 -6.289 1.00 0.00 O ATOM 410 CB ASN A 912 16.586 -12.390 -4.182 1.00 0.00 C ATOM 411 CG ASN A 912 17.890 -11.703 -4.537 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.945 -12.335 -4.586 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.823 -10.400 -4.788 1.00 0.00 N ATOM 0 H ASN A 912 14.925 -10.567 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 912 15.987 -12.045 -6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.226 -12.009 -3.226 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.765 -13.457 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.668 -9.884 -5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 912 16.927 -9.916 -4.736 1.00 0.00 H new ATOM 420 N GLY A 913 13.784 -13.602 -4.297 1.00 0.00 N ATOM 421 CA GLY A 913 12.885 -14.740 -4.267 1.00 0.00 C ATOM 422 C GLY A 913 12.010 -14.756 -3.029 1.00 0.00 C ATOM 423 O GLY A 913 10.785 -14.678 -3.125 1.00 0.00 O ATOM 0 H GLY A 913 13.723 -12.987 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.253 -14.723 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.468 -15.660 -4.308 1.00 0.00 H new ATOM 427 N THR A 914 12.639 -14.857 -1.862 1.00 0.00 N ATOM 428 CA THR A 914 11.910 -14.886 -0.601 1.00 0.00 C ATOM 429 C THR A 914 12.451 -13.843 0.370 1.00 0.00 C ATOM 430 O THR A 914 13.651 -13.572 0.401 1.00 0.00 O ATOM 431 CB THR A 914 11.985 -16.275 0.061 1.00 0.00 C ATOM 432 OG1 THR A 914 11.264 -16.268 1.298 1.00 0.00 O ATOM 433 CG2 THR A 914 13.431 -16.676 0.312 1.00 0.00 C ATOM 0 H THR A 914 13.652 -14.920 -1.765 1.00 0.00 H new ATOM 0 HA THR A 914 10.869 -14.659 -0.833 1.00 0.00 H new ATOM 0 HB THR A 914 11.535 -17.001 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.315 -17.155 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.460 -17.660 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.969 -16.709 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.902 -15.947 0.971 1.00 0.00 H new ATOM 441 N CYS A 915 11.558 -13.260 1.163 1.00 0.00 N ATOM 442 CA CYS A 915 11.945 -12.246 2.137 1.00 0.00 C ATOM 443 C CYS A 915 11.593 -12.690 3.554 1.00 0.00 C ATOM 444 O CYS A 915 10.570 -13.332 3.794 1.00 0.00 O ATOM 445 CB CYS A 915 11.256 -10.917 1.822 1.00 0.00 C ATOM 446 SG CYS A 915 11.127 -9.790 3.247 1.00 0.00 S ATOM 0 H CYS A 915 10.561 -13.473 1.150 1.00 0.00 H new ATOM 0 HA CYS A 915 13.025 -12.112 2.075 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.805 -10.416 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.255 -11.120 1.441 1.00 0.00 H new ATOM 0 HG CYS A 915 10.909 -8.580 2.825 1.00 0.00 H new ATOM 451 N PRO A 916 12.461 -12.342 4.515 1.00 0.00 N ATOM 452 CA PRO A 916 12.264 -12.693 5.925 1.00 0.00 C ATOM 453 C PRO A 916 11.106 -11.928 6.556 1.00 0.00 C ATOM 454 O PRO A 916 10.226 -12.521 7.180 1.00 0.00 O ATOM 455 CB PRO A 916 13.589 -12.293 6.579 1.00 0.00 C ATOM 456 CG PRO A 916 14.141 -11.227 5.696 1.00 0.00 C ATOM 457 CD PRO A 916 13.701 -11.577 4.301 1.00 0.00 C ATOM 0 HA PRO A 916 12.012 -13.746 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.435 -11.926 7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.269 -13.142 6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.768 -10.246 5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.228 -11.188 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.524 -10.685 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.453 -12.169 3.779 1.00 0.00 H new ATOM 465 N GLU A 917 11.113 -10.609 6.390 1.00 0.00 N ATOM 466 CA GLU A 917 10.062 -9.764 6.945 1.00 0.00 C ATOM 467 C GLU A 917 8.696 -10.160 6.391 1.00 0.00 C ATOM 468 O GLU A 917 7.890 -10.782 7.083 1.00 0.00 O ATOM 469 CB GLU A 917 10.343 -8.292 6.634 1.00 0.00 C ATOM 470 CG GLU A 917 11.652 -7.787 7.216 1.00 0.00 C ATOM 471 CD GLU A 917 11.793 -8.098 8.693 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.854 -7.791 9.457 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.843 -8.650 9.086 1.00 0.00 O ATOM 0 H GLU A 917 11.834 -10.103 5.876 1.00 0.00 H new ATOM 0 HA GLU A 917 10.051 -9.904 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.359 -8.154 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.525 -7.685 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.484 -8.236 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.719 -6.709 7.068 1.00 0.00 H new ATOM 480 N GLY A 918 8.443 -9.795 5.138 1.00 0.00 N ATOM 481 CA GLY A 918 7.175 -10.120 4.512 1.00 0.00 C ATOM 482 C GLY A 918 6.314 -8.894 4.277 1.00 0.00 C ATOM 483 O GLY A 918 6.725 -7.962 3.588 1.00 0.00 O ATOM 0 H GLY A 918 9.094 -9.280 4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.360 -10.618 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.633 -10.826 5.141 1.00 0.00 H new ATOM 487 N ASN A 919 5.115 -8.897 4.851 1.00 0.00 N ATOM 488 CA ASN A 919 4.192 -7.777 4.698 1.00 0.00 C ATOM 489 C ASN A 919 4.614 -6.602 5.575 1.00 0.00 C ATOM 490 O ASN A 919 4.507 -5.444 5.171 1.00 0.00 O ATOM 491 CB ASN A 919 2.769 -8.210 5.056 1.00 0.00 C ATOM 492 CG ASN A 919 2.571 -8.366 6.552 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.074 -7.460 7.221 1.00 0.00 O ATOM 494 ND2 ASN A 919 2.960 -9.519 7.083 1.00 0.00 N ATOM 0 H ASN A 919 4.760 -9.661 5.426 1.00 0.00 H new ATOM 0 HA ASN A 919 4.216 -7.457 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.061 -7.475 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.545 -9.155 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 919 2.852 -9.682 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 919 3.367 -10.242 6.490 1.00 0.00 H new ATOM 501 N SER A 920 5.093 -6.908 6.776 1.00 0.00 N ATOM 502 CA SER A 920 5.528 -5.878 7.711 1.00 0.00 C ATOM 503 C SER A 920 6.975 -5.475 7.442 1.00 0.00 C ATOM 504 O SER A 920 7.701 -5.076 8.353 1.00 0.00 O ATOM 505 CB SER A 920 5.385 -6.373 9.152 1.00 0.00 C ATOM 506 OG SER A 920 4.021 -6.498 9.514 1.00 0.00 O ATOM 0 H SER A 920 5.190 -7.862 7.125 1.00 0.00 H new ATOM 0 HA SER A 920 4.893 -5.004 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 920 5.883 -7.336 9.260 1.00 0.00 H new ATOM 0 HB3 SER A 920 5.882 -5.679 9.830 1.00 0.00 H new ATOM 0 HG SER A 920 3.503 -6.798 8.738 1.00 0.00 H new ATOM 512 N CYS A 921 7.388 -5.582 6.183 1.00 0.00 N ATOM 513 CA CYS A 921 8.747 -5.230 5.791 1.00 0.00 C ATOM 514 C CYS A 921 8.859 -3.738 5.495 1.00 0.00 C ATOM 515 O CYS A 921 7.968 -3.146 4.884 1.00 0.00 O ATOM 516 CB CYS A 921 9.171 -6.038 4.562 1.00 0.00 C ATOM 517 SG CYS A 921 10.953 -5.954 4.196 1.00 0.00 S ATOM 0 H CYS A 921 6.800 -5.910 5.417 1.00 0.00 H new ATOM 0 HA CYS A 921 9.411 -5.468 6.622 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.890 -7.081 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.616 -5.679 3.695 1.00 0.00 H new ATOM 0 HG CYS A 921 11.128 -5.868 2.911 1.00 0.00 H new ATOM 522 N LYS A 922 9.959 -3.134 5.931 1.00 0.00 N ATOM 523 CA LYS A 922 10.190 -1.711 5.713 1.00 0.00 C ATOM 524 C LYS A 922 10.455 -1.423 4.239 1.00 0.00 C ATOM 525 O LYS A 922 10.110 -0.355 3.733 1.00 0.00 O ATOM 526 CB LYS A 922 11.372 -1.230 6.558 1.00 0.00 C ATOM 527 CG LYS A 922 12.699 -1.849 6.156 1.00 0.00 C ATOM 528 CD LYS A 922 13.861 -1.203 6.892 1.00 0.00 C ATOM 529 CE LYS A 922 15.098 -2.088 6.866 1.00 0.00 C ATOM 530 NZ LYS A 922 14.931 -3.300 7.714 1.00 0.00 N ATOM 0 H LYS A 922 10.706 -3.609 6.438 1.00 0.00 H new ATOM 0 HA LYS A 922 9.292 -1.172 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.447 -0.146 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.176 -1.459 7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.682 -2.918 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.842 -1.739 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.092 -0.240 6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.575 -1.006 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.308 -2.389 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.960 -1.518 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.864 -3.712 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.465 -3.038 8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.348 -3.998 7.210 1.00 0.00 H new ATOM 544 N PHE A 923 11.069 -2.383 3.554 1.00 0.00 N ATOM 545 CA PHE A 923 11.379 -2.232 2.137 1.00 0.00 C ATOM 546 C PHE A 923 10.167 -2.573 1.275 1.00 0.00 C ATOM 547 O PHE A 923 9.173 -3.106 1.767 1.00 0.00 O ATOM 548 CB PHE A 923 12.560 -3.126 1.754 1.00 0.00 C ATOM 549 CG PHE A 923 13.892 -2.571 2.170 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.324 -1.343 1.695 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.712 -3.277 3.034 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.550 -0.829 2.076 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.938 -2.768 3.419 1.00 0.00 C ATOM 554 CZ PHE A 923 16.358 -1.543 2.939 1.00 0.00 C ATOM 0 H PHE A 923 11.361 -3.273 3.957 1.00 0.00 H new ATOM 0 HA PHE A 923 11.647 -1.191 1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.426 -4.107 2.210 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.558 -3.274 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.696 -0.781 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.390 -4.236 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.875 0.129 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.567 -3.328 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.316 -1.144 3.238 1.00 0.00 H new ATOM 564 N ALA A 924 10.258 -2.262 -0.014 1.00 0.00 N ATOM 565 CA ALA A 924 9.171 -2.537 -0.945 1.00 0.00 C ATOM 566 C ALA A 924 9.218 -3.981 -1.433 1.00 0.00 C ATOM 567 O ALA A 924 10.290 -4.578 -1.535 1.00 0.00 O ATOM 568 CB ALA A 924 9.231 -1.577 -2.124 1.00 0.00 C ATOM 0 H ALA A 924 11.074 -1.819 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 924 8.228 -2.390 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.413 -1.794 -2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 924 9.140 -0.552 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.182 -1.696 -2.642 1.00 0.00 H new ATOM 574 N HIS A 925 8.048 -4.538 -1.732 1.00 0.00 N ATOM 575 CA HIS A 925 7.956 -5.913 -2.210 1.00 0.00 C ATOM 576 C HIS A 925 7.307 -5.967 -3.589 1.00 0.00 C ATOM 577 O HIS A 925 6.133 -6.309 -3.721 1.00 0.00 O ATOM 578 CB HIS A 925 7.157 -6.765 -1.223 1.00 0.00 C ATOM 579 CG HIS A 925 7.959 -7.232 -0.048 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.571 -8.282 0.758 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.134 -6.788 0.455 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.473 -8.462 1.706 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.432 -7.568 1.545 1.00 0.00 N ATOM 0 H HIS A 925 7.151 -4.058 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 925 8.967 -6.313 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.305 -6.188 -0.864 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.756 -7.633 -1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.721 -8.833 0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.727 -5.972 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.433 -9.213 2.481 1.00 0.00 H new ATOM 591 N GLY A 926 8.081 -5.625 -4.616 1.00 0.00 N ATOM 592 CA GLY A 926 7.564 -5.641 -5.972 1.00 0.00 C ATOM 593 C GLY A 926 7.499 -4.255 -6.583 1.00 0.00 C ATOM 594 O GLY A 926 6.894 -3.347 -6.015 1.00 0.00 O ATOM 0 H GLY A 926 9.056 -5.337 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.195 -6.279 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.567 -6.082 -5.973 1.00 0.00 H new ATOM 598 N ASN A 927 8.125 -4.093 -7.744 1.00 0.00 N ATOM 599 CA ASN A 927 8.138 -2.807 -8.432 1.00 0.00 C ATOM 600 C ASN A 927 6.754 -2.165 -8.410 1.00 0.00 C ATOM 601 O ASN A 927 6.616 -0.974 -8.130 1.00 0.00 O ATOM 602 CB ASN A 927 8.608 -2.983 -9.877 1.00 0.00 C ATOM 603 CG ASN A 927 9.938 -3.705 -9.969 1.00 0.00 C ATOM 604 OD1 ASN A 927 10.997 -3.103 -9.788 1.00 0.00 O ATOM 605 ND2 ASN A 927 9.890 -5.001 -10.252 1.00 0.00 N ATOM 0 H ASN A 927 8.630 -4.836 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 927 8.833 -2.150 -7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 927 7.856 -3.540 -10.435 1.00 0.00 H new ATOM 0 HB3 ASN A 927 8.696 -2.005 -10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 927 10.753 -5.539 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 927 8.990 -5.459 -10.394 1.00 0.00 H new ATOM 612 N ALA A 928 5.733 -2.962 -8.706 1.00 0.00 N ATOM 613 CA ALA A 928 4.360 -2.472 -8.718 1.00 0.00 C ATOM 614 C ALA A 928 3.993 -1.835 -7.382 1.00 0.00 C ATOM 615 O ALA A 928 3.489 -0.714 -7.337 1.00 0.00 O ATOM 616 CB ALA A 928 3.399 -3.605 -9.047 1.00 0.00 C ATOM 0 H ALA A 928 5.830 -3.950 -8.941 1.00 0.00 H new ATOM 0 HA ALA A 928 4.280 -1.706 -9.490 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.377 -3.225 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.640 -4.013 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.490 -4.389 -8.296 1.00 0.00 H new ATOM 622 N GLU A 929 4.249 -2.559 -6.297 1.00 0.00 N ATOM 623 CA GLU A 929 3.943 -2.063 -4.960 1.00 0.00 C ATOM 624 C GLU A 929 4.596 -0.705 -4.720 1.00 0.00 C ATOM 625 O GLU A 929 3.962 0.221 -4.213 1.00 0.00 O ATOM 626 CB GLU A 929 4.415 -3.062 -3.901 1.00 0.00 C ATOM 627 CG GLU A 929 3.681 -2.938 -2.577 1.00 0.00 C ATOM 628 CD GLU A 929 3.715 -4.220 -1.768 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.819 -4.637 -1.361 1.00 0.00 O ATOM 630 OE2 GLU A 929 2.636 -4.807 -1.543 1.00 0.00 O ATOM 0 H GLU A 929 4.667 -3.489 -6.317 1.00 0.00 H new ATOM 0 HA GLU A 929 2.862 -1.946 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.286 -4.074 -4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.482 -2.920 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.127 -2.133 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.644 -2.659 -2.765 1.00 0.00 H new ATOM 637 N LEU A 930 5.868 -0.593 -5.089 1.00 0.00 N ATOM 638 CA LEU A 930 6.609 0.651 -4.914 1.00 0.00 C ATOM 639 C LEU A 930 5.863 1.822 -5.546 1.00 0.00 C ATOM 640 O LEU A 930 5.572 2.818 -4.882 1.00 0.00 O ATOM 641 CB LEU A 930 8.003 0.528 -5.531 1.00 0.00 C ATOM 642 CG LEU A 930 8.938 1.720 -5.319 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.413 1.776 -3.875 1.00 0.00 C ATOM 644 CD2 LEU A 930 10.124 1.643 -6.270 1.00 0.00 C ATOM 0 H LEU A 930 6.407 -1.349 -5.511 1.00 0.00 H new ATOM 0 HA LEU A 930 6.707 0.840 -3.845 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.482 -0.362 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.891 0.366 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 930 8.384 2.634 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 930 10.077 2.630 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.553 1.879 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.950 0.859 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.779 2.499 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.678 0.722 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.766 1.653 -7.300 1.00 0.00 H new ATOM 656 N HIS A 931 5.553 1.695 -6.833 1.00 0.00 N ATOM 657 CA HIS A 931 4.838 2.742 -7.554 1.00 0.00 C ATOM 658 C HIS A 931 3.745 3.353 -6.682 1.00 0.00 C ATOM 659 O HIS A 931 3.708 4.566 -6.477 1.00 0.00 O ATOM 660 CB HIS A 931 4.228 2.180 -8.838 1.00 0.00 C ATOM 661 CG HIS A 931 5.193 1.386 -9.662 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.795 0.478 -10.621 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.546 1.367 -9.668 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.862 -0.065 -11.180 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.937 0.458 -10.620 1.00 0.00 N ATOM 0 H HIS A 931 5.786 0.878 -7.397 1.00 0.00 H new ATOM 0 HA HIS A 931 5.552 3.524 -7.812 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.378 1.549 -8.580 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.843 3.004 -9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.197 1.957 -9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.856 -0.810 -11.962 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.901 0.225 -10.856 1.00 0.00 H new ATOM 673 N GLU A 932 2.858 2.504 -6.172 1.00 0.00 N ATOM 674 CA GLU A 932 1.764 2.962 -5.324 1.00 0.00 C ATOM 675 C GLU A 932 2.297 3.588 -4.038 1.00 0.00 C ATOM 676 O GLU A 932 1.783 4.604 -3.571 1.00 0.00 O ATOM 677 CB GLU A 932 0.828 1.799 -4.988 1.00 0.00 C ATOM 678 CG GLU A 932 -0.299 2.178 -4.043 1.00 0.00 C ATOM 679 CD GLU A 932 -0.727 1.027 -3.153 1.00 0.00 C ATOM 680 OE1 GLU A 932 0.037 0.677 -2.229 1.00 0.00 O ATOM 681 OE2 GLU A 932 -1.824 0.476 -3.381 1.00 0.00 O ATOM 0 H GLU A 932 2.876 1.497 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 932 1.206 3.721 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 932 0.401 1.409 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 932 1.410 0.993 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 932 0.020 3.014 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -1.155 2.521 -4.624 1.00 0.00 H new ATOM 688 N TRP A 933 3.330 2.974 -3.473 1.00 0.00 N ATOM 689 CA TRP A 933 3.933 3.470 -2.241 1.00 0.00 C ATOM 690 C TRP A 933 4.363 4.925 -2.392 1.00 0.00 C ATOM 691 O TRP A 933 4.137 5.743 -1.502 1.00 0.00 O ATOM 692 CB TRP A 933 5.136 2.607 -1.854 1.00 0.00 C ATOM 693 CG TRP A 933 4.775 1.437 -0.991 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.545 0.856 -0.871 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.652 0.706 -0.128 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.605 -0.192 0.016 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.887 -0.305 0.485 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.011 0.805 0.186 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.435 -1.207 1.393 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.554 -0.090 1.087 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.768 -1.086 1.682 1.00 0.00 C ATOM 0 H TRP A 933 3.768 2.132 -3.848 1.00 0.00 H new ATOM 0 HA TRP A 933 3.184 3.413 -1.451 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.621 2.245 -2.761 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.864 3.226 -1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.656 1.173 -1.396 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.822 -0.789 0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.626 1.568 -0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.830 -1.975 1.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.602 -0.021 1.337 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.222 -1.771 2.382 1.00 0.00 H new ATOM 712 N GLU A 934 4.982 5.240 -3.526 1.00 0.00 N ATOM 713 CA GLU A 934 5.443 6.597 -3.792 1.00 0.00 C ATOM 714 C GLU A 934 4.300 7.598 -3.647 1.00 0.00 C ATOM 715 O GLU A 934 4.505 8.729 -3.208 1.00 0.00 O ATOM 716 CB GLU A 934 6.042 6.690 -5.197 1.00 0.00 C ATOM 717 CG GLU A 934 7.471 6.182 -5.284 1.00 0.00 C ATOM 718 CD GLU A 934 8.494 7.270 -5.025 1.00 0.00 C ATOM 719 OE1 GLU A 934 8.827 7.502 -3.843 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.963 7.890 -6.002 1.00 0.00 O ATOM 0 H GLU A 934 5.175 4.574 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 934 6.213 6.842 -3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.420 6.119 -5.887 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.014 7.728 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.611 5.378 -4.562 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.642 5.756 -6.273 1.00 0.00 H new ATOM 727 N GLU A 935 3.098 7.172 -4.020 1.00 0.00 N ATOM 728 CA GLU A 935 1.923 8.031 -3.933 1.00 0.00 C ATOM 729 C GLU A 935 1.382 8.071 -2.507 1.00 0.00 C ATOM 730 O GLU A 935 1.246 9.141 -1.913 1.00 0.00 O ATOM 731 CB GLU A 935 0.833 7.542 -4.890 1.00 0.00 C ATOM 732 CG GLU A 935 1.174 7.748 -6.356 1.00 0.00 C ATOM 733 CD GLU A 935 0.845 9.147 -6.841 1.00 0.00 C ATOM 734 OE1 GLU A 935 -0.324 9.389 -7.206 1.00 0.00 O ATOM 735 OE2 GLU A 935 1.758 9.999 -6.854 1.00 0.00 O ATOM 0 H GLU A 935 2.912 6.238 -4.385 1.00 0.00 H new ATOM 0 HA GLU A 935 2.221 9.040 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.654 6.481 -4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.097 8.064 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.236 7.555 -6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.628 7.021 -6.958 1.00 0.00 H new ATOM 742 N ARG A 936 1.075 6.898 -1.964 1.00 0.00 N ATOM 743 CA ARG A 936 0.548 6.797 -0.608 1.00 0.00 C ATOM 744 C ARG A 936 1.287 7.743 0.334 1.00 0.00 C ATOM 745 O ARG A 936 0.671 8.566 1.012 1.00 0.00 O ATOM 746 CB ARG A 936 0.663 5.360 -0.098 1.00 0.00 C ATOM 747 CG ARG A 936 -0.421 4.436 -0.630 1.00 0.00 C ATOM 748 CD ARG A 936 -0.160 2.990 -0.241 1.00 0.00 C ATOM 749 NE ARG A 936 -1.399 2.233 -0.086 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.102 2.197 1.041 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.690 2.872 2.105 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.220 1.486 1.105 1.00 0.00 N ATOM 0 H ARG A 936 1.182 6.003 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.504 7.083 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.638 4.961 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.621 5.366 0.991 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.390 4.749 -0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 936 -0.471 4.519 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.461 2.517 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.402 2.961 0.693 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.744 1.703 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.831 3.421 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.232 2.843 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.541 0.966 0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.759 1.459 1.971 1.00 0.00 H new ATOM 766 N ARG A 937 2.610 7.619 0.371 1.00 0.00 N ATOM 767 CA ARG A 937 3.432 8.462 1.231 1.00 0.00 C ATOM 768 C ARG A 937 3.308 9.930 0.833 1.00 0.00 C ATOM 769 O ARG A 937 2.853 10.760 1.620 1.00 0.00 O ATOM 770 CB ARG A 937 4.896 8.024 1.159 1.00 0.00 C ATOM 771 CG ARG A 937 5.808 8.792 2.103 1.00 0.00 C ATOM 772 CD ARG A 937 7.012 7.959 2.515 1.00 0.00 C ATOM 773 NE ARG A 937 7.817 8.627 3.534 1.00 0.00 N ATOM 774 CZ ARG A 937 8.753 9.528 3.257 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.999 9.868 1.999 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.443 10.092 4.239 1.00 0.00 N ATOM 0 H ARG A 937 3.135 6.943 -0.184 1.00 0.00 H new ATOM 0 HA ARG A 937 3.076 8.351 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 937 4.960 6.961 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.255 8.151 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.146 9.708 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.249 9.089 2.990 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.673 6.995 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.630 7.757 1.640 1.00 0.00 H new ATOM 0 HE ARG A 937 7.652 8.389 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.469 9.437 1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.718 10.560 1.789 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.255 9.834 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.162 10.784 4.026 1.00 0.00 H new ATOM 790 N ASP A 938 3.717 10.241 -0.392 1.00 0.00 N ATOM 791 CA ASP A 938 3.651 11.609 -0.895 1.00 0.00 C ATOM 792 C ASP A 938 2.363 12.292 -0.446 1.00 0.00 C ATOM 793 O ASP A 938 2.392 13.385 0.119 1.00 0.00 O ATOM 794 CB ASP A 938 3.743 11.618 -2.421 1.00 0.00 C ATOM 795 CG ASP A 938 3.095 12.845 -3.033 1.00 0.00 C ATOM 796 OD1 ASP A 938 1.848 12.903 -3.063 1.00 0.00 O ATOM 797 OD2 ASP A 938 3.834 13.746 -3.482 1.00 0.00 O ATOM 0 H ASP A 938 4.097 9.565 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 938 4.496 12.162 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.791 11.577 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.264 10.722 -2.816 1.00 0.00 H new