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 143:sc= 0.736 USER MOD Set 1.2: A 915 CYS SG : rot -157:sc= -2.54 USER MOD Set 1.3: A 921 CYS SG : rot -106:sc= -1.22 USER MOD Set 1.4: A 925 HIS : no HD1:sc= -5.07! K(o=-8.1!,f=-8.7) USER MOD Set 2.1: A 903 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 922 LYS NZ :NH3+ -154:sc= 0.29 (180deg=0.132) USER MOD Single : A 897 HIS : no HE2:sc= -7.97! C(o=-8!,f=-9.1!) USER MOD Single : A 901 THR OG1 : rot -101:sc= 0.111 USER MOD Single : A 905 SER OG : rot 20:sc= 0.418 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 163:sc= -0.468 (180deg=-0.651) USER MOD Single : A 912 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.83) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= -0.0261 K(o=-0.026,f=-4.7!) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 927 ASN : amide:sc= 0 X(o=0,f=-0.00075) USER MOD Single : A 931 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.524 -2.129 -1.144 1.00 0.00 N ATOM 156 CA HIS A 897 -1.233 -2.681 -0.749 1.00 0.00 C ATOM 157 C HIS A 897 -0.736 -2.032 0.539 1.00 0.00 C ATOM 158 O HIS A 897 -1.186 -0.949 0.914 1.00 0.00 O ATOM 159 CB HIS A 897 -0.206 -2.481 -1.864 1.00 0.00 C ATOM 160 CG HIS A 897 -0.451 -3.341 -3.065 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.709 -2.827 -4.319 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.475 -4.687 -3.200 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.882 -3.820 -5.172 1.00 0.00 C ATOM 164 NE2 HIS A 897 -0.745 -4.960 -4.519 1.00 0.00 N ATOM 0 HA HIS A 897 -1.361 -3.749 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.212 -1.435 -2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.789 -2.693 -1.473 1.00 0.00 H new ATOM 0 HD1 HIS A 897 -0.758 -1.835 -4.551 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.312 -5.412 -2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.099 -3.717 -6.225 1.00 0.00 H new ATOM 172 N ARG A 898 0.193 -2.702 1.213 1.00 0.00 N ATOM 173 CA ARG A 898 0.750 -2.191 2.460 1.00 0.00 C ATOM 174 C ARG A 898 1.202 -0.743 2.301 1.00 0.00 C ATOM 175 O ARG A 898 1.320 -0.237 1.184 1.00 0.00 O ATOM 176 CB ARG A 898 1.927 -3.058 2.911 1.00 0.00 C ATOM 177 CG ARG A 898 1.523 -4.213 3.812 1.00 0.00 C ATOM 178 CD ARG A 898 0.918 -5.357 3.015 1.00 0.00 C ATOM 179 NE ARG A 898 0.263 -6.338 3.875 1.00 0.00 N ATOM 180 CZ ARG A 898 -0.680 -7.173 3.453 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.076 -7.147 2.188 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.229 -8.038 4.297 1.00 0.00 N ATOM 0 H ARG A 898 0.576 -3.600 0.917 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.031 -2.228 3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.433 -3.455 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.647 -2.432 3.438 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.395 -4.571 4.359 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.803 -3.864 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.195 -4.960 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.700 -5.848 2.435 1.00 0.00 H new ATOM 0 HE ARG A 898 0.545 -6.385 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.656 -6.485 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.800 -7.789 1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -0.927 -8.062 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -1.953 -8.679 3.972 1.00 0.00 H new ATOM 196 N PHE A 899 1.454 -0.080 3.425 1.00 0.00 N ATOM 197 CA PHE A 899 1.891 1.311 3.410 1.00 0.00 C ATOM 198 C PHE A 899 3.413 1.403 3.489 1.00 0.00 C ATOM 199 O PHE A 899 4.068 0.657 4.216 1.00 0.00 O ATOM 200 CB PHE A 899 1.262 2.078 4.575 1.00 0.00 C ATOM 201 CG PHE A 899 1.486 3.562 4.507 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.758 4.091 4.656 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.426 4.427 4.293 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.968 5.456 4.594 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.630 5.793 4.229 1.00 0.00 C ATOM 206 CZ PHE A 899 1.902 6.308 4.380 1.00 0.00 C ATOM 0 H PHE A 899 1.363 -0.484 4.357 1.00 0.00 H new ATOM 0 HA PHE A 899 1.565 1.758 2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.190 1.881 4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.671 1.699 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.595 3.429 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.571 4.030 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.964 5.856 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.205 6.457 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 899 2.063 7.375 4.331 1.00 0.00 H new ATOM 216 N PRO A 900 3.988 2.341 2.722 1.00 0.00 N ATOM 217 CA PRO A 900 5.438 2.553 2.686 1.00 0.00 C ATOM 218 C PRO A 900 5.969 3.151 3.985 1.00 0.00 C ATOM 219 O PRO A 900 5.980 4.370 4.161 1.00 0.00 O ATOM 220 CB PRO A 900 5.624 3.539 1.529 1.00 0.00 C ATOM 221 CG PRO A 900 4.324 4.260 1.434 1.00 0.00 C ATOM 222 CD PRO A 900 3.268 3.266 1.830 1.00 0.00 C ATOM 0 HA PRO A 900 5.983 1.618 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.446 4.228 1.724 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.858 3.020 0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.310 5.128 2.094 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.154 4.627 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.433 3.748 2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.857 2.750 0.963 1.00 0.00 H new ATOM 230 N THR A 901 6.409 2.285 4.893 1.00 0.00 N ATOM 231 CA THR A 901 6.940 2.728 6.176 1.00 0.00 C ATOM 232 C THR A 901 7.632 4.080 6.048 1.00 0.00 C ATOM 233 O THR A 901 7.520 4.931 6.929 1.00 0.00 O ATOM 234 CB THR A 901 7.938 1.706 6.753 1.00 0.00 C ATOM 235 OG1 THR A 901 9.101 1.632 5.921 1.00 0.00 O ATOM 236 CG2 THR A 901 7.300 0.329 6.864 1.00 0.00 C ATOM 0 H THR A 901 6.408 1.273 4.763 1.00 0.00 H new ATOM 0 HA THR A 901 6.092 2.820 6.854 1.00 0.00 H new ATOM 0 HB THR A 901 8.226 2.037 7.751 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.047 0.835 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 901 8.024 -0.375 7.274 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.433 0.382 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.986 -0.007 5.876 1.00 0.00 H new ATOM 244 N GLY A 902 8.347 4.272 4.944 1.00 0.00 N ATOM 245 CA GLY A 902 9.046 5.524 4.721 1.00 0.00 C ATOM 246 C GLY A 902 10.204 5.377 3.753 1.00 0.00 C ATOM 247 O GLY A 902 10.680 6.363 3.190 1.00 0.00 O ATOM 0 H GLY A 902 8.455 3.583 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.345 6.264 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.418 5.904 5.673 1.00 0.00 H new ATOM 251 N TYR A 903 10.659 4.144 3.560 1.00 0.00 N ATOM 252 CA TYR A 903 11.771 3.872 2.657 1.00 0.00 C ATOM 253 C TYR A 903 11.281 3.720 1.220 1.00 0.00 C ATOM 254 O TYR A 903 10.552 2.782 0.896 1.00 0.00 O ATOM 255 CB TYR A 903 12.511 2.607 3.092 1.00 0.00 C ATOM 256 CG TYR A 903 13.190 2.734 4.437 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.451 2.738 5.613 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.572 2.850 4.531 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.067 2.856 6.844 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.197 2.966 5.758 1.00 0.00 C ATOM 261 CZ TYR A 903 14.440 2.969 6.911 1.00 0.00 C ATOM 262 OH TYR A 903 15.058 3.085 8.135 1.00 0.00 O ATOM 0 H TYR A 903 10.275 3.317 4.017 1.00 0.00 H new ATOM 0 HA TYR A 903 12.456 4.718 2.700 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.805 1.777 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.259 2.357 2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.376 2.647 5.564 1.00 0.00 H new ATOM 0 HD2 TYR A 903 15.167 2.849 3.630 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.477 2.860 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.272 3.054 5.814 1.00 0.00 H new ATOM 0 HH TYR A 903 16.027 3.154 8.007 1.00 0.00 H new ATOM 272 N PHE A 904 11.687 4.650 0.362 1.00 0.00 N ATOM 273 CA PHE A 904 11.290 4.621 -1.041 1.00 0.00 C ATOM 274 C PHE A 904 12.256 3.771 -1.862 1.00 0.00 C ATOM 275 O PHE A 904 12.941 4.275 -2.751 1.00 0.00 O ATOM 276 CB PHE A 904 11.236 6.041 -1.607 1.00 0.00 C ATOM 277 CG PHE A 904 11.123 6.086 -3.104 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.176 5.320 -3.764 1.00 0.00 C ATOM 279 CD2 PHE A 904 11.966 6.893 -3.852 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.069 5.359 -5.142 1.00 0.00 C ATOM 281 CE2 PHE A 904 11.863 6.937 -5.229 1.00 0.00 C ATOM 282 CZ PHE A 904 10.915 6.168 -5.875 1.00 0.00 C ATOM 0 H PHE A 904 12.291 5.433 0.614 1.00 0.00 H new ATOM 0 HA PHE A 904 10.298 4.174 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.386 6.565 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.133 6.579 -1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.513 4.685 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 904 12.712 7.494 -3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.325 4.758 -5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.524 7.573 -5.800 1.00 0.00 H new ATOM 0 HZ PHE A 904 10.835 6.199 -6.952 1.00 0.00 H new ATOM 292 N SER A 905 12.305 2.478 -1.555 1.00 0.00 N ATOM 293 CA SER A 905 13.189 1.558 -2.261 1.00 0.00 C ATOM 294 C SER A 905 12.638 0.136 -2.219 1.00 0.00 C ATOM 295 O SER A 905 11.793 -0.190 -1.385 1.00 0.00 O ATOM 296 CB SER A 905 14.590 1.593 -1.647 1.00 0.00 C ATOM 297 OG SER A 905 15.348 2.671 -2.167 1.00 0.00 O ATOM 0 H SER A 905 11.743 2.044 -0.822 1.00 0.00 H new ATOM 0 HA SER A 905 13.248 1.875 -3.302 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.513 1.687 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.103 0.653 -1.850 1.00 0.00 H new ATOM 0 HG SER A 905 14.744 3.338 -2.556 1.00 0.00 H new ATOM 303 N ILE A 906 13.123 -0.706 -3.125 1.00 0.00 N ATOM 304 CA ILE A 906 12.681 -2.093 -3.192 1.00 0.00 C ATOM 305 C ILE A 906 13.456 -2.966 -2.211 1.00 0.00 C ATOM 306 O ILE A 906 14.620 -2.697 -1.910 1.00 0.00 O ATOM 307 CB ILE A 906 12.843 -2.668 -4.612 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.960 -1.903 -5.599 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.500 -4.150 -4.626 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.485 -2.210 -5.455 1.00 0.00 C ATOM 0 H ILE A 906 13.822 -0.452 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 906 11.624 -2.100 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 906 13.883 -2.553 -4.918 1.00 0.00 H new ATOM 0 HG12 ILE A 906 12.115 -0.833 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.275 -2.141 -6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.619 -4.542 -5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.166 -4.684 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.468 -4.288 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.920 -1.632 -6.186 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.316 -3.274 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.155 -1.946 -4.450 1.00 0.00 H new ATOM 322 N CYS A 907 12.805 -4.013 -1.717 1.00 0.00 N ATOM 323 CA CYS A 907 13.433 -4.927 -0.770 1.00 0.00 C ATOM 324 C CYS A 907 14.301 -5.951 -1.497 1.00 0.00 C ATOM 325 O CYS A 907 13.844 -6.621 -2.424 1.00 0.00 O ATOM 326 CB CYS A 907 12.368 -5.644 0.062 1.00 0.00 C ATOM 327 SG CYS A 907 13.021 -6.486 1.539 1.00 0.00 S ATOM 0 H CYS A 907 11.842 -4.250 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 907 14.070 -4.342 -0.106 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.616 -4.919 0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.863 -6.377 -0.567 1.00 0.00 H new ATOM 0 HG CYS A 907 12.168 -6.376 2.514 1.00 0.00 H new ATOM 332 N ASP A 908 15.553 -6.066 -1.070 1.00 0.00 N ATOM 333 CA ASP A 908 16.485 -7.009 -1.678 1.00 0.00 C ATOM 334 C ASP A 908 16.100 -8.446 -1.343 1.00 0.00 C ATOM 335 O ASP A 908 16.327 -9.361 -2.136 1.00 0.00 O ATOM 336 CB ASP A 908 17.912 -6.726 -1.204 1.00 0.00 C ATOM 337 CG ASP A 908 18.582 -5.629 -2.007 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.242 -5.473 -3.199 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.446 -4.925 -1.443 1.00 0.00 O ATOM 0 H ASP A 908 15.947 -5.518 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 908 16.438 -6.882 -2.760 1.00 0.00 H new ATOM 0 HB2 ASP A 908 17.893 -6.442 -0.152 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.504 -7.639 -1.277 1.00 0.00 H new ATOM 344 N ARG A 909 15.517 -8.638 -0.164 1.00 0.00 N ATOM 345 CA ARG A 909 15.103 -9.965 0.276 1.00 0.00 C ATOM 346 C ARG A 909 13.914 -10.462 -0.541 1.00 0.00 C ATOM 347 O ARG A 909 13.828 -11.644 -0.874 1.00 0.00 O ATOM 348 CB ARG A 909 14.740 -9.942 1.762 1.00 0.00 C ATOM 349 CG ARG A 909 15.759 -9.218 2.627 1.00 0.00 C ATOM 350 CD ARG A 909 17.080 -9.970 2.678 1.00 0.00 C ATOM 351 NE ARG A 909 18.200 -9.088 2.995 1.00 0.00 N ATOM 352 CZ ARG A 909 19.311 -9.497 3.597 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.450 -10.769 3.946 1.00 0.00 N ATOM 354 NH2 ARG A 909 20.286 -8.634 3.851 1.00 0.00 N ATOM 0 H ARG A 909 15.321 -7.892 0.503 1.00 0.00 H new ATOM 0 HA ARG A 909 15.938 -10.648 0.123 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.768 -9.463 1.883 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.637 -10.967 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 909 15.925 -8.215 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.365 -9.103 3.637 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.018 -10.761 3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.260 -10.453 1.717 1.00 0.00 H new ATOM 0 HE ARG A 909 18.125 -8.103 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.703 -11.436 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.304 -11.081 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.183 -7.655 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 909 21.139 -8.949 4.313 1.00 0.00 H new ATOM 368 N TYR A 910 13.000 -9.552 -0.860 1.00 0.00 N ATOM 369 CA TYR A 910 11.815 -9.899 -1.635 1.00 0.00 C ATOM 370 C TYR A 910 12.155 -10.042 -3.116 1.00 0.00 C ATOM 371 O TYR A 910 11.751 -11.005 -3.766 1.00 0.00 O ATOM 372 CB TYR A 910 10.730 -8.836 -1.450 1.00 0.00 C ATOM 373 CG TYR A 910 9.508 -9.062 -2.312 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.606 -10.077 -2.020 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.257 -8.260 -3.418 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.489 -10.288 -2.804 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.141 -8.463 -4.208 1.00 0.00 C ATOM 378 CZ TYR A 910 7.260 -9.477 -3.897 1.00 0.00 C ATOM 379 OH TYR A 910 6.149 -9.683 -4.682 1.00 0.00 O ATOM 0 H TYR A 910 13.057 -8.569 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 910 11.442 -10.857 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.427 -8.816 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.150 -7.857 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.781 -10.713 -1.165 1.00 0.00 H new ATOM 0 HD2 TYR A 910 9.945 -7.465 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.799 -11.083 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.960 -7.831 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 910 6.136 -9.026 -5.409 1.00 0.00 H new ATOM 389 N MET A 911 12.902 -9.076 -3.641 1.00 0.00 N ATOM 390 CA MET A 911 13.298 -9.094 -5.044 1.00 0.00 C ATOM 391 C MET A 911 14.109 -10.346 -5.363 1.00 0.00 C ATOM 392 O MET A 911 13.878 -11.005 -6.376 1.00 0.00 O ATOM 393 CB MET A 911 14.113 -7.845 -5.382 1.00 0.00 C ATOM 394 CG MET A 911 13.265 -6.675 -5.854 1.00 0.00 C ATOM 395 SD MET A 911 12.509 -6.971 -7.464 1.00 0.00 S ATOM 396 CE MET A 911 10.780 -7.086 -7.011 1.00 0.00 C ATOM 0 H MET A 911 13.245 -8.272 -3.116 1.00 0.00 H new ATOM 0 HA MET A 911 12.393 -9.104 -5.651 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.679 -7.541 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.838 -8.093 -6.157 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.483 -6.478 -5.120 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.885 -5.780 -5.907 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.162 -6.965 -7.901 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.585 -8.061 -6.563 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.539 -6.302 -6.293 1.00 0.00 H new ATOM 406 N ASN A 912 15.061 -10.668 -4.492 1.00 0.00 N ATOM 407 CA ASN A 912 15.907 -11.840 -4.683 1.00 0.00 C ATOM 408 C ASN A 912 15.062 -13.083 -4.948 1.00 0.00 C ATOM 409 O ASN A 912 15.388 -13.895 -5.813 1.00 0.00 O ATOM 410 CB ASN A 912 16.789 -12.063 -3.453 1.00 0.00 C ATOM 411 CG ASN A 912 18.118 -11.339 -3.556 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.180 -11.941 -3.395 1.00 0.00 O ATOM 413 ND2 ASN A 912 18.064 -10.040 -3.826 1.00 0.00 N ATOM 0 H ASN A 912 15.265 -10.134 -3.648 1.00 0.00 H new ATOM 0 HA ASN A 912 16.542 -11.662 -5.551 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.260 -11.721 -2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.969 -13.131 -3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.925 -9.500 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.161 -9.582 -3.952 1.00 0.00 H new ATOM 420 N GLY A 913 13.974 -13.224 -4.198 1.00 0.00 N ATOM 421 CA GLY A 913 13.099 -14.369 -4.367 1.00 0.00 C ATOM 422 C GLY A 913 12.273 -14.656 -3.129 1.00 0.00 C ATOM 423 O GLY A 913 11.078 -14.937 -3.221 1.00 0.00 O ATOM 0 H GLY A 913 13.683 -12.565 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.433 -14.192 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.697 -15.246 -4.612 1.00 0.00 H new ATOM 427 N THR A 914 12.912 -14.589 -1.965 1.00 0.00 N ATOM 428 CA THR A 914 12.230 -14.847 -0.703 1.00 0.00 C ATOM 429 C THR A 914 12.703 -13.887 0.384 1.00 0.00 C ATOM 430 O THR A 914 13.903 -13.726 0.605 1.00 0.00 O ATOM 431 CB THR A 914 12.457 -16.294 -0.227 1.00 0.00 C ATOM 432 OG1 THR A 914 11.700 -16.543 0.963 1.00 0.00 O ATOM 433 CG2 THR A 914 13.932 -16.551 0.041 1.00 0.00 C ATOM 0 H THR A 914 13.901 -14.358 -1.870 1.00 0.00 H new ATOM 0 HA THR A 914 11.166 -14.694 -0.882 1.00 0.00 H new ATOM 0 HB THR A 914 12.125 -16.969 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.849 -17.466 1.258 1.00 0.00 H new ATOM 0 HG21 THR A 914 14.067 -17.579 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.502 -16.390 -0.874 1.00 0.00 H new ATOM 0 HG23 THR A 914 14.286 -15.868 0.814 1.00 0.00 H new ATOM 441 N CYS A 915 11.752 -13.252 1.060 1.00 0.00 N ATOM 442 CA CYS A 915 12.070 -12.308 2.124 1.00 0.00 C ATOM 443 C CYS A 915 11.488 -12.773 3.456 1.00 0.00 C ATOM 444 O CYS A 915 10.377 -13.299 3.526 1.00 0.00 O ATOM 445 CB CYS A 915 11.534 -10.917 1.778 1.00 0.00 C ATOM 446 SG CYS A 915 11.445 -9.780 3.198 1.00 0.00 S ATOM 0 H CYS A 915 10.754 -13.374 0.890 1.00 0.00 H new ATOM 0 HA CYS A 915 13.155 -12.258 2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.170 -10.475 1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.539 -11.020 1.346 1.00 0.00 H new ATOM 0 HG CYS A 915 10.577 -8.845 2.951 1.00 0.00 H new ATOM 451 N PRO A 916 12.254 -12.574 4.538 1.00 0.00 N ATOM 452 CA PRO A 916 11.835 -12.965 5.888 1.00 0.00 C ATOM 453 C PRO A 916 10.696 -12.098 6.414 1.00 0.00 C ATOM 454 O PRO A 916 9.737 -12.606 6.994 1.00 0.00 O ATOM 455 CB PRO A 916 13.099 -12.754 6.726 1.00 0.00 C ATOM 456 CG PRO A 916 13.877 -11.722 5.986 1.00 0.00 C ATOM 457 CD PRO A 916 13.589 -11.952 4.528 1.00 0.00 C ATOM 0 HA PRO A 916 11.453 -13.985 5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.854 -12.418 7.734 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.666 -13.680 6.827 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.580 -10.718 6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 916 14.943 -11.815 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.593 -11.018 3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.333 -12.604 4.069 1.00 0.00 H new ATOM 465 N GLU A 917 10.810 -10.790 6.209 1.00 0.00 N ATOM 466 CA GLU A 917 9.788 -9.854 6.664 1.00 0.00 C ATOM 467 C GLU A 917 8.427 -10.203 6.069 1.00 0.00 C ATOM 468 O GLU A 917 7.469 -10.468 6.794 1.00 0.00 O ATOM 469 CB GLU A 917 10.171 -8.422 6.285 1.00 0.00 C ATOM 470 CG GLU A 917 11.475 -7.955 6.910 1.00 0.00 C ATOM 471 CD GLU A 917 11.321 -7.588 8.373 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.802 -6.489 8.659 1.00 0.00 O ATOM 473 OE2 GLU A 917 11.720 -8.402 9.233 1.00 0.00 O ATOM 0 H GLU A 917 11.599 -10.354 5.731 1.00 0.00 H new ATOM 0 HA GLU A 917 9.721 -9.929 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.252 -8.352 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.370 -7.748 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.223 -8.742 6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.849 -7.091 6.360 1.00 0.00 H new ATOM 480 N GLY A 918 8.350 -10.201 4.741 1.00 0.00 N ATOM 481 CA GLY A 918 7.102 -10.518 4.070 1.00 0.00 C ATOM 482 C GLY A 918 6.241 -9.292 3.840 1.00 0.00 C ATOM 483 O GLY A 918 6.503 -8.502 2.934 1.00 0.00 O ATOM 0 H GLY A 918 9.129 -9.986 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.318 -10.992 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.546 -11.242 4.666 1.00 0.00 H new ATOM 487 N ASN A 919 5.208 -9.134 4.661 1.00 0.00 N ATOM 488 CA ASN A 919 4.303 -7.997 4.540 1.00 0.00 C ATOM 489 C ASN A 919 4.690 -6.888 5.514 1.00 0.00 C ATOM 490 O ASN A 919 4.543 -5.703 5.212 1.00 0.00 O ATOM 491 CB ASN A 919 2.860 -8.437 4.799 1.00 0.00 C ATOM 492 CG ASN A 919 2.620 -8.808 6.249 1.00 0.00 C ATOM 493 OD1 ASN A 919 3.416 -9.522 6.859 1.00 0.00 O ATOM 494 ND2 ASN A 919 1.517 -8.324 6.809 1.00 0.00 N ATOM 0 H ASN A 919 4.977 -9.779 5.417 1.00 0.00 H new ATOM 0 HA ASN A 919 4.381 -7.609 3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.181 -7.632 4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.624 -9.291 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.302 -8.540 7.782 1.00 0.00 H new ATOM 0 HD22 ASN A 919 0.885 -7.736 6.266 1.00 0.00 H new ATOM 501 N SER A 920 5.185 -7.281 6.683 1.00 0.00 N ATOM 502 CA SER A 920 5.591 -6.321 7.703 1.00 0.00 C ATOM 503 C SER A 920 7.016 -5.835 7.456 1.00 0.00 C ATOM 504 O SER A 920 7.758 -5.545 8.395 1.00 0.00 O ATOM 505 CB SER A 920 5.488 -6.948 9.094 1.00 0.00 C ATOM 506 OG SER A 920 4.144 -7.259 9.416 1.00 0.00 O ATOM 0 H SER A 920 5.315 -8.258 6.948 1.00 0.00 H new ATOM 0 HA SER A 920 4.919 -5.465 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.093 -7.854 9.134 1.00 0.00 H new ATOM 0 HB3 SER A 920 5.893 -6.261 9.837 1.00 0.00 H new ATOM 0 HG SER A 920 4.106 -7.660 10.309 1.00 0.00 H new ATOM 512 N CYS A 921 7.393 -5.749 6.184 1.00 0.00 N ATOM 513 CA CYS A 921 8.728 -5.299 5.811 1.00 0.00 C ATOM 514 C CYS A 921 8.776 -3.779 5.688 1.00 0.00 C ATOM 515 O CYS A 921 7.742 -3.122 5.560 1.00 0.00 O ATOM 516 CB CYS A 921 9.154 -5.942 4.489 1.00 0.00 C ATOM 517 SG CYS A 921 10.954 -5.934 4.205 1.00 0.00 S ATOM 0 H CYS A 921 6.792 -5.985 5.395 1.00 0.00 H new ATOM 0 HA CYS A 921 9.420 -5.604 6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.798 -6.972 4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.665 -5.418 3.668 1.00 0.00 H new ATOM 0 HG CYS A 921 11.247 -5.045 3.303 1.00 0.00 H new ATOM 522 N LYS A 922 9.983 -3.226 5.727 1.00 0.00 N ATOM 523 CA LYS A 922 10.168 -1.783 5.619 1.00 0.00 C ATOM 524 C LYS A 922 10.428 -1.375 4.172 1.00 0.00 C ATOM 525 O LYS A 922 10.181 -0.233 3.785 1.00 0.00 O ATOM 526 CB LYS A 922 11.331 -1.330 6.505 1.00 0.00 C ATOM 527 CG LYS A 922 12.667 -1.936 6.112 1.00 0.00 C ATOM 528 CD LYS A 922 13.774 -1.509 7.062 1.00 0.00 C ATOM 529 CE LYS A 922 14.414 -0.202 6.621 1.00 0.00 C ATOM 530 NZ LYS A 922 15.748 0.002 7.250 1.00 0.00 N ATOM 0 H LYS A 922 10.849 -3.755 5.833 1.00 0.00 H new ATOM 0 HA LYS A 922 9.252 -1.298 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.408 -0.244 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.112 -1.593 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.588 -3.023 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.921 -1.632 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.368 -1.396 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 922 14.534 -2.289 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.519 -0.197 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 922 13.759 0.629 6.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.955 1.020 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.745 -0.400 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 16.477 -0.471 6.679 1.00 0.00 H new ATOM 544 N PHE A 923 10.926 -2.316 3.377 1.00 0.00 N ATOM 545 CA PHE A 923 11.218 -2.054 1.973 1.00 0.00 C ATOM 546 C PHE A 923 10.033 -2.433 1.090 1.00 0.00 C ATOM 547 O PHE A 923 9.085 -3.072 1.546 1.00 0.00 O ATOM 548 CB PHE A 923 12.462 -2.830 1.535 1.00 0.00 C ATOM 549 CG PHE A 923 13.745 -2.255 2.065 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.015 -0.901 1.941 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.680 -3.067 2.685 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.194 -0.368 2.428 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.861 -2.540 3.174 1.00 0.00 C ATOM 554 CZ PHE A 923 16.119 -1.189 3.044 1.00 0.00 C ATOM 0 H PHE A 923 11.136 -3.267 3.681 1.00 0.00 H new ATOM 0 HA PHE A 923 11.405 -0.986 1.861 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.372 -3.864 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.504 -2.849 0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.296 -0.255 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.484 -4.124 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.392 0.689 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.581 -3.184 3.657 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.042 -0.775 3.423 1.00 0.00 H new ATOM 564 N ALA A 924 10.093 -2.033 -0.176 1.00 0.00 N ATOM 565 CA ALA A 924 9.026 -2.331 -1.123 1.00 0.00 C ATOM 566 C ALA A 924 9.093 -3.782 -1.586 1.00 0.00 C ATOM 567 O ALA A 924 10.159 -4.399 -1.578 1.00 0.00 O ATOM 568 CB ALA A 924 9.102 -1.390 -2.316 1.00 0.00 C ATOM 0 H ALA A 924 10.870 -1.502 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 924 8.072 -2.182 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.299 -1.624 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.997 -0.360 -1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.064 -1.511 -2.814 1.00 0.00 H new ATOM 574 N HIS A 925 7.947 -4.323 -1.989 1.00 0.00 N ATOM 575 CA HIS A 925 7.876 -5.704 -2.456 1.00 0.00 C ATOM 576 C HIS A 925 7.250 -5.775 -3.845 1.00 0.00 C ATOM 577 O HIS A 925 6.047 -5.992 -3.984 1.00 0.00 O ATOM 578 CB HIS A 925 7.070 -6.555 -1.475 1.00 0.00 C ATOM 579 CG HIS A 925 7.865 -7.027 -0.297 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.627 -8.227 0.339 1.00 0.00 N ATOM 581 CD2 HIS A 925 8.900 -6.453 0.359 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.481 -8.371 1.337 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.265 -7.308 1.370 1.00 0.00 N ATOM 0 H HIS A 925 7.056 -3.827 -2.002 1.00 0.00 H new ATOM 0 HA HIS A 925 8.892 -6.096 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.218 -5.976 -1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.669 -7.421 -2.002 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.354 -5.500 0.130 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.530 -9.214 2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.019 -7.148 2.038 1.00 0.00 H new ATOM 591 N GLY A 926 8.075 -5.592 -4.872 1.00 0.00 N ATOM 592 CA GLY A 926 7.583 -5.639 -6.236 1.00 0.00 C ATOM 593 C GLY A 926 7.429 -4.259 -6.845 1.00 0.00 C ATOM 594 O GLY A 926 6.733 -3.406 -6.297 1.00 0.00 O ATOM 0 H GLY A 926 9.075 -5.412 -4.783 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.268 -6.228 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.621 -6.150 -6.254 1.00 0.00 H new ATOM 598 N ASN A 927 8.083 -4.039 -7.981 1.00 0.00 N ATOM 599 CA ASN A 927 8.017 -2.752 -8.664 1.00 0.00 C ATOM 600 C ASN A 927 6.612 -2.164 -8.583 1.00 0.00 C ATOM 601 O ASN A 927 6.428 -1.024 -8.157 1.00 0.00 O ATOM 602 CB ASN A 927 8.434 -2.906 -10.128 1.00 0.00 C ATOM 603 CG ASN A 927 9.932 -3.077 -10.288 1.00 0.00 C ATOM 604 OD1 ASN A 927 10.706 -2.163 -10.003 1.00 0.00 O ATOM 605 ND2 ASN A 927 10.348 -4.253 -10.745 1.00 0.00 N ATOM 0 H ASN A 927 8.664 -4.735 -8.448 1.00 0.00 H new ATOM 0 HA ASN A 927 8.706 -2.070 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 927 7.925 -3.768 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 927 8.109 -2.030 -10.689 1.00 0.00 H new ATOM 0 HD21 ASN A 927 11.345 -4.427 -10.872 1.00 0.00 H new ATOM 0 HD22 ASN A 927 9.670 -4.982 -10.968 1.00 0.00 H new ATOM 612 N ALA A 928 5.622 -2.951 -8.993 1.00 0.00 N ATOM 613 CA ALA A 928 4.233 -2.510 -8.964 1.00 0.00 C ATOM 614 C ALA A 928 3.852 -1.987 -7.583 1.00 0.00 C ATOM 615 O ALA A 928 3.254 -0.919 -7.458 1.00 0.00 O ATOM 616 CB ALA A 928 3.310 -3.648 -9.373 1.00 0.00 C ATOM 0 H ALA A 928 5.757 -3.897 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 928 4.122 -1.693 -9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.276 -3.305 -9.347 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.559 -3.973 -10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.433 -4.482 -8.682 1.00 0.00 H new ATOM 622 N GLU A 929 4.201 -2.747 -6.550 1.00 0.00 N ATOM 623 CA GLU A 929 3.893 -2.359 -5.179 1.00 0.00 C ATOM 624 C GLU A 929 4.468 -0.982 -4.861 1.00 0.00 C ATOM 625 O GLU A 929 3.799 -0.142 -4.257 1.00 0.00 O ATOM 626 CB GLU A 929 4.446 -3.394 -4.196 1.00 0.00 C ATOM 627 CG GLU A 929 3.655 -3.488 -2.902 1.00 0.00 C ATOM 628 CD GLU A 929 2.352 -4.246 -3.069 1.00 0.00 C ATOM 629 OE1 GLU A 929 1.852 -4.321 -4.212 1.00 0.00 O ATOM 630 OE2 GLU A 929 1.832 -4.763 -2.059 1.00 0.00 O ATOM 0 H GLU A 929 4.697 -3.634 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 929 2.809 -2.314 -5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.455 -4.372 -4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.481 -3.144 -3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.263 -3.981 -2.144 1.00 0.00 H new ATOM 0 HG3 GLU A 929 3.442 -2.483 -2.537 1.00 0.00 H new ATOM 637 N LEU A 930 5.711 -0.757 -5.271 1.00 0.00 N ATOM 638 CA LEU A 930 6.377 0.518 -5.030 1.00 0.00 C ATOM 639 C LEU A 930 5.563 1.675 -5.601 1.00 0.00 C ATOM 640 O LEU A 930 5.361 2.693 -4.938 1.00 0.00 O ATOM 641 CB LEU A 930 7.776 0.510 -5.648 1.00 0.00 C ATOM 642 CG LEU A 930 8.589 1.795 -5.488 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.100 1.929 -4.062 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.746 1.822 -6.476 1.00 0.00 C ATOM 0 H LEU A 930 6.278 -1.441 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 930 6.463 0.656 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.341 -0.311 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.680 0.295 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 930 7.937 2.643 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.676 2.849 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.255 1.957 -3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.735 1.077 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.313 2.744 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.398 0.967 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.357 1.774 -7.493 1.00 0.00 H new ATOM 656 N HIS A 931 5.095 1.510 -6.834 1.00 0.00 N ATOM 657 CA HIS A 931 4.299 2.539 -7.494 1.00 0.00 C ATOM 658 C HIS A 931 3.269 3.128 -6.534 1.00 0.00 C ATOM 659 O HIS A 931 3.239 4.337 -6.307 1.00 0.00 O ATOM 660 CB HIS A 931 3.597 1.961 -8.723 1.00 0.00 C ATOM 661 CG HIS A 931 4.528 1.291 -9.685 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.103 0.401 -10.649 1.00 0.00 N ATOM 663 CD2 HIS A 931 5.871 1.386 -9.830 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.143 -0.023 -11.343 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.228 0.560 -10.867 1.00 0.00 N ATOM 0 H HIS A 931 5.253 0.674 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 931 4.971 3.336 -7.811 1.00 0.00 H new ATOM 0 HB2 HIS A 931 2.845 1.242 -8.397 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.069 2.762 -9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.537 1.998 -9.240 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.112 -0.727 -12.161 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.177 0.420 -11.213 1.00 0.00 H new ATOM 673 N GLU A 932 2.427 2.264 -5.975 1.00 0.00 N ATOM 674 CA GLU A 932 1.395 2.700 -5.042 1.00 0.00 C ATOM 675 C GLU A 932 2.015 3.366 -3.817 1.00 0.00 C ATOM 676 O GLU A 932 1.540 4.402 -3.353 1.00 0.00 O ATOM 677 CB GLU A 932 0.532 1.513 -4.609 1.00 0.00 C ATOM 678 CG GLU A 932 -0.402 1.828 -3.454 1.00 0.00 C ATOM 679 CD GLU A 932 -1.148 0.605 -2.956 1.00 0.00 C ATOM 680 OE1 GLU A 932 -1.556 -0.224 -3.795 1.00 0.00 O ATOM 681 OE2 GLU A 932 -1.322 0.478 -1.725 1.00 0.00 O ATOM 0 H GLU A 932 2.439 1.260 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 932 0.766 3.430 -5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 932 -0.058 1.174 -5.460 1.00 0.00 H new ATOM 0 HB3 GLU A 932 1.183 0.687 -4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 932 0.173 2.257 -2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -1.121 2.584 -3.769 1.00 0.00 H new ATOM 688 N TRP A 933 3.078 2.762 -3.298 1.00 0.00 N ATOM 689 CA TRP A 933 3.764 3.295 -2.126 1.00 0.00 C ATOM 690 C TRP A 933 4.161 4.751 -2.344 1.00 0.00 C ATOM 691 O TRP A 933 3.851 5.616 -1.526 1.00 0.00 O ATOM 692 CB TRP A 933 5.003 2.457 -1.810 1.00 0.00 C ATOM 693 CG TRP A 933 4.729 1.324 -0.868 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.519 0.745 -0.613 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.686 0.634 -0.055 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.665 -0.263 0.310 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.985 -0.351 0.667 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.065 0.753 0.131 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.619 -1.211 1.561 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.693 -0.101 1.019 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.971 -1.072 1.724 1.00 0.00 C ATOM 0 H TRP A 933 3.484 1.903 -3.670 1.00 0.00 H new ATOM 0 HA TRP A 933 3.078 3.248 -1.281 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.409 2.057 -2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.769 3.102 -1.379 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.585 1.036 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.913 -0.850 0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.630 1.498 -0.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.064 -1.960 2.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.759 -0.018 1.172 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.491 -1.724 2.410 1.00 0.00 H new ATOM 712 N GLU A 934 4.849 5.013 -3.451 1.00 0.00 N ATOM 713 CA GLU A 934 5.289 6.365 -3.773 1.00 0.00 C ATOM 714 C GLU A 934 4.170 7.374 -3.533 1.00 0.00 C ATOM 715 O GLU A 934 4.402 8.460 -3.003 1.00 0.00 O ATOM 716 CB GLU A 934 5.754 6.440 -5.229 1.00 0.00 C ATOM 717 CG GLU A 934 6.933 5.534 -5.539 1.00 0.00 C ATOM 718 CD GLU A 934 7.276 5.507 -7.016 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.998 6.418 -7.473 1.00 0.00 O ATOM 720 OE2 GLU A 934 6.823 4.577 -7.715 1.00 0.00 O ATOM 0 H GLU A 934 5.113 4.308 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 934 6.124 6.613 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 934 4.922 6.175 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.027 7.469 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.803 5.870 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.706 4.522 -5.204 1.00 0.00 H new ATOM 727 N GLU A 935 2.955 7.005 -3.927 1.00 0.00 N ATOM 728 CA GLU A 935 1.799 7.878 -3.756 1.00 0.00 C ATOM 729 C GLU A 935 1.432 8.012 -2.280 1.00 0.00 C ATOM 730 O GLU A 935 1.461 9.107 -1.719 1.00 0.00 O ATOM 731 CB GLU A 935 0.603 7.339 -4.543 1.00 0.00 C ATOM 732 CG GLU A 935 0.936 6.972 -5.980 1.00 0.00 C ATOM 733 CD GLU A 935 -0.236 7.176 -6.920 1.00 0.00 C ATOM 734 OE1 GLU A 935 -1.391 7.024 -6.471 1.00 0.00 O ATOM 735 OE2 GLU A 935 0.003 7.488 -8.106 1.00 0.00 O ATOM 0 H GLU A 935 2.746 6.109 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 935 2.061 8.864 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.210 6.459 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.189 8.088 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.778 7.575 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.253 5.930 -6.021 1.00 0.00 H new ATOM 742 N ARG A 936 1.087 6.889 -1.659 1.00 0.00 N ATOM 743 CA ARG A 936 0.713 6.880 -0.250 1.00 0.00 C ATOM 744 C ARG A 936 1.505 7.925 0.530 1.00 0.00 C ATOM 745 O ARG A 936 0.937 8.878 1.063 1.00 0.00 O ATOM 746 CB ARG A 936 0.946 5.493 0.353 1.00 0.00 C ATOM 747 CG ARG A 936 0.235 4.377 -0.394 1.00 0.00 C ATOM 748 CD ARG A 936 0.200 3.094 0.422 1.00 0.00 C ATOM 749 NE ARG A 936 -1.090 2.897 1.078 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.245 2.835 0.425 1.00 0.00 C ATOM 751 NH1 ARG A 936 -2.270 2.953 -0.896 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.377 2.654 1.092 1.00 0.00 N ATOM 0 H ARG A 936 1.059 5.974 -2.109 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.347 7.126 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.016 5.286 0.365 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.610 5.496 1.390 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.783 4.687 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 936 0.740 4.193 -1.342 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.409 2.245 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.989 3.121 1.174 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.105 2.802 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.401 3.092 -1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -3.158 2.905 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.361 2.562 2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -4.263 2.607 0.589 1.00 0.00 H new ATOM 766 N ARG A 937 2.820 7.738 0.593 1.00 0.00 N ATOM 767 CA ARG A 937 3.690 8.663 1.309 1.00 0.00 C ATOM 768 C ARG A 937 3.547 10.080 0.759 1.00 0.00 C ATOM 769 O ARG A 937 3.295 11.024 1.507 1.00 0.00 O ATOM 770 CB ARG A 937 5.147 8.209 1.207 1.00 0.00 C ATOM 771 CG ARG A 937 6.022 8.711 2.343 1.00 0.00 C ATOM 772 CD ARG A 937 7.228 7.809 2.558 1.00 0.00 C ATOM 773 NE ARG A 937 8.322 8.131 1.646 1.00 0.00 N ATOM 774 CZ ARG A 937 9.130 9.173 1.806 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.968 9.989 2.839 1.00 0.00 N ATOM 776 NH2 ARG A 937 10.103 9.400 0.933 1.00 0.00 N ATOM 0 H ARG A 937 3.306 6.954 0.157 1.00 0.00 H new ATOM 0 HA ARG A 937 3.391 8.667 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.179 7.120 1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.561 8.555 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.359 9.724 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.436 8.761 3.260 1.00 0.00 H new ATOM 0 HD2 ARG A 937 7.574 7.905 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 937 6.933 6.769 2.417 1.00 0.00 H new ATOM 0 HE ARG A 937 8.474 7.522 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.222 9.817 3.513 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.590 10.789 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 937 10.231 8.774 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.723 10.201 1.057 1.00 0.00 H new ATOM 790 N ASP A 938 3.711 10.219 -0.552 1.00 0.00 N ATOM 791 CA ASP A 938 3.600 11.519 -1.203 1.00 0.00 C ATOM 792 C ASP A 938 2.278 12.192 -0.850 1.00 0.00 C ATOM 793 O ASP A 938 2.143 13.411 -0.955 1.00 0.00 O ATOM 794 CB ASP A 938 3.720 11.366 -2.720 1.00 0.00 C ATOM 795 CG ASP A 938 4.073 12.670 -3.407 1.00 0.00 C ATOM 796 OD1 ASP A 938 3.579 13.727 -2.963 1.00 0.00 O ATOM 797 OD2 ASP A 938 4.842 12.634 -4.391 1.00 0.00 O ATOM 0 H ASP A 938 3.921 9.447 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 938 4.415 12.148 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.482 10.621 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 938 2.778 10.991 -3.120 1.00 0.00 H new