USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=11 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 146:sc= 1.28 USER MOD Set 1.2: A 915 CYS SG : rot -142:sc= -2.46 USER MOD Set 1.3: A 921 CYS SG : rot -103:sc= -2.2 USER MOD Set 1.4: A 925 HIS : no HD1:sc= -4.26! X(o=-7.6!,f=-7.8) USER MOD Single : A 897 HIS : no HD1:sc=-0.000188 X(o=-0.00019,f=0) USER MOD Single : A 901 THR OG1 : rot -98:sc= 0.0421 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 180:sc= -0.211 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 153:sc= -0.6 (180deg=-1.11) USER MOD Single : A 912 ASN : amide:sc= -0.504 X(o=-0.5,f=-0.5) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= 0.333 K(o=0.33,f=-4.9!) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -125:sc= -0.0951 (180deg=-0.442) USER MOD Single : A 927 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.04) USER MOD Single : A 931 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.726 -2.050 -1.175 1.00 0.00 N ATOM 156 CA HIS A 897 -1.463 -2.658 -0.772 1.00 0.00 C ATOM 157 C HIS A 897 -0.963 -2.056 0.538 1.00 0.00 C ATOM 158 O HIS A 897 -1.566 -1.127 1.075 1.00 0.00 O ATOM 159 CB HIS A 897 -0.411 -2.472 -1.866 1.00 0.00 C ATOM 160 CG HIS A 897 -0.783 -3.110 -3.169 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.285 -4.329 -3.579 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.611 -2.693 -4.155 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.789 -4.633 -4.762 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.597 -3.657 -5.134 1.00 0.00 N ATOM 0 HA HIS A 897 -1.634 -3.724 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.249 -1.406 -2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.536 -2.890 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -2.177 -1.774 -4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -0.576 -5.528 -5.328 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -2.125 -3.624 -6.006 1.00 0.00 H new ATOM 172 N ARG A 898 0.141 -2.593 1.047 1.00 0.00 N ATOM 173 CA ARG A 898 0.720 -2.111 2.295 1.00 0.00 C ATOM 174 C ARG A 898 1.167 -0.658 2.160 1.00 0.00 C ATOM 175 O ARG A 898 1.260 -0.126 1.054 1.00 0.00 O ATOM 176 CB ARG A 898 1.906 -2.986 2.703 1.00 0.00 C ATOM 177 CG ARG A 898 1.501 -4.276 3.396 1.00 0.00 C ATOM 178 CD ARG A 898 0.955 -5.293 2.406 1.00 0.00 C ATOM 179 NE ARG A 898 0.265 -6.393 3.075 1.00 0.00 N ATOM 180 CZ ARG A 898 -0.697 -7.110 2.506 1.00 0.00 C ATOM 181 NH1 ARG A 898 -1.082 -6.845 1.265 1.00 0.00 N ATOM 182 NH2 ARG A 898 -1.278 -8.095 3.180 1.00 0.00 N ATOM 0 H ARG A 898 0.652 -3.362 0.614 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.046 -2.167 3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.490 -3.228 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.556 -2.416 3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.362 -4.698 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.746 -4.062 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.268 -4.798 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.774 -5.690 1.806 1.00 0.00 H new ATOM 0 HE ARG A 898 0.537 -6.623 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.639 -6.088 0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.821 -7.398 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 898 -0.986 -8.301 4.135 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -2.017 -8.646 2.743 1.00 0.00 H new ATOM 196 N PHE A 899 1.443 -0.022 3.294 1.00 0.00 N ATOM 197 CA PHE A 899 1.880 1.369 3.304 1.00 0.00 C ATOM 198 C PHE A 899 3.398 1.462 3.419 1.00 0.00 C ATOM 199 O PHE A 899 4.037 0.710 4.155 1.00 0.00 O ATOM 200 CB PHE A 899 1.222 2.124 4.460 1.00 0.00 C ATOM 201 CG PHE A 899 1.398 3.614 4.381 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.640 4.190 4.596 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.322 4.438 4.092 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.806 5.560 4.523 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.482 5.809 4.018 1.00 0.00 C ATOM 206 CZ PHE A 899 1.725 6.371 4.235 1.00 0.00 C ATOM 0 H PHE A 899 1.372 -0.448 4.218 1.00 0.00 H new ATOM 0 HA PHE A 899 1.577 1.825 2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.157 1.892 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.639 1.766 5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.488 3.561 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.652 4.004 3.923 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.780 5.996 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.364 6.440 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.852 7.442 4.180 1.00 0.00 H new ATOM 216 N PRO A 900 3.991 2.407 2.674 1.00 0.00 N ATOM 217 CA PRO A 900 5.441 2.621 2.675 1.00 0.00 C ATOM 218 C PRO A 900 5.940 3.208 3.991 1.00 0.00 C ATOM 219 O PRO A 900 5.890 4.420 4.201 1.00 0.00 O ATOM 220 CB PRO A 900 5.653 3.616 1.531 1.00 0.00 C ATOM 221 CG PRO A 900 4.355 4.337 1.411 1.00 0.00 C ATOM 222 CD PRO A 900 3.291 3.338 1.773 1.00 0.00 C ATOM 0 HA PRO A 900 5.991 1.688 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.469 4.304 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.909 3.104 0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.324 5.199 2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.209 4.712 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.444 3.814 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.902 2.828 0.892 1.00 0.00 H new ATOM 230 N THR A 901 6.422 2.341 4.875 1.00 0.00 N ATOM 231 CA THR A 901 6.929 2.773 6.172 1.00 0.00 C ATOM 232 C THR A 901 7.650 4.111 6.061 1.00 0.00 C ATOM 233 O THR A 901 7.683 4.890 7.013 1.00 0.00 O ATOM 234 CB THR A 901 7.892 1.732 6.774 1.00 0.00 C ATOM 235 OG1 THR A 901 9.014 1.543 5.905 1.00 0.00 O ATOM 236 CG2 THR A 901 7.184 0.403 6.993 1.00 0.00 C ATOM 0 H THR A 901 6.472 1.335 4.717 1.00 0.00 H new ATOM 0 HA THR A 901 6.066 2.881 6.829 1.00 0.00 H new ATOM 0 HB THR A 901 8.238 2.104 7.738 1.00 0.00 H new ATOM 0 HG1 THR A 901 8.873 0.742 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.884 -0.316 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.348 0.545 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.813 0.027 6.040 1.00 0.00 H new ATOM 244 N GLY A 902 8.227 4.373 4.892 1.00 0.00 N ATOM 245 CA GLY A 902 8.939 5.620 4.679 1.00 0.00 C ATOM 246 C GLY A 902 10.142 5.452 3.772 1.00 0.00 C ATOM 247 O GLY A 902 10.782 6.432 3.391 1.00 0.00 O ATOM 0 H GLY A 902 8.214 3.744 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.260 6.353 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.265 6.018 5.640 1.00 0.00 H new ATOM 251 N TYR A 903 10.451 4.208 3.426 1.00 0.00 N ATOM 252 CA TYR A 903 11.588 3.915 2.561 1.00 0.00 C ATOM 253 C TYR A 903 11.147 3.790 1.106 1.00 0.00 C ATOM 254 O TYR A 903 10.293 2.970 0.771 1.00 0.00 O ATOM 255 CB TYR A 903 12.277 2.625 3.009 1.00 0.00 C ATOM 256 CG TYR A 903 12.906 2.719 4.380 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.136 3.001 5.502 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.271 2.525 4.555 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.707 3.088 6.757 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.850 2.609 5.806 1.00 0.00 C ATOM 261 CZ TYR A 903 14.064 2.892 6.904 1.00 0.00 C ATOM 262 OH TYR A 903 14.636 2.977 8.152 1.00 0.00 O ATOM 0 H TYR A 903 9.930 3.386 3.731 1.00 0.00 H new ATOM 0 HA TYR A 903 12.294 4.742 2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.548 1.815 3.008 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.046 2.363 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.073 3.155 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.890 2.305 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.094 3.308 7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.912 2.454 5.924 1.00 0.00 H new ATOM 0 HH TYR A 903 15.599 2.812 8.082 1.00 0.00 H new ATOM 272 N PHE A 904 11.737 4.612 0.244 1.00 0.00 N ATOM 273 CA PHE A 904 11.407 4.595 -1.177 1.00 0.00 C ATOM 274 C PHE A 904 12.370 3.698 -1.949 1.00 0.00 C ATOM 275 O PHE A 904 13.094 4.161 -2.830 1.00 0.00 O ATOM 276 CB PHE A 904 11.445 6.015 -1.747 1.00 0.00 C ATOM 277 CG PHE A 904 11.358 6.061 -3.246 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.278 5.500 -3.908 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.357 6.664 -3.993 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.195 5.541 -5.287 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.279 6.709 -5.372 1.00 0.00 C ATOM 282 CZ PHE A 904 11.198 6.145 -6.020 1.00 0.00 C ATOM 0 H PHE A 904 12.446 5.298 0.504 1.00 0.00 H new ATOM 0 HA PHE A 904 10.400 4.194 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.620 6.590 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.367 6.501 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.492 5.025 -3.340 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.206 7.104 -3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.347 5.101 -5.791 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.063 7.185 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.137 6.176 -7.098 1.00 0.00 H new ATOM 292 N SER A 905 12.372 2.413 -1.610 1.00 0.00 N ATOM 293 CA SER A 905 13.249 1.451 -2.268 1.00 0.00 C ATOM 294 C SER A 905 12.666 0.043 -2.191 1.00 0.00 C ATOM 295 O SER A 905 11.827 -0.246 -1.337 1.00 0.00 O ATOM 296 CB SER A 905 14.639 1.476 -1.629 1.00 0.00 C ATOM 297 OG SER A 905 15.166 2.791 -1.606 1.00 0.00 O ATOM 0 H SER A 905 11.777 2.014 -0.884 1.00 0.00 H new ATOM 0 HA SER A 905 13.334 1.733 -3.317 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.583 1.086 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.310 0.822 -2.185 1.00 0.00 H new ATOM 0 HG SER A 905 16.054 2.780 -1.192 1.00 0.00 H new ATOM 303 N ILE A 906 13.117 -0.827 -3.087 1.00 0.00 N ATOM 304 CA ILE A 906 12.641 -2.205 -3.120 1.00 0.00 C ATOM 305 C ILE A 906 13.470 -3.094 -2.200 1.00 0.00 C ATOM 306 O ILE A 906 14.654 -2.841 -1.974 1.00 0.00 O ATOM 307 CB ILE A 906 12.685 -2.781 -4.548 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.579 -2.161 -5.405 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.548 -4.296 -4.512 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.224 -2.801 -5.198 1.00 0.00 C ATOM 0 H ILE A 906 13.811 -0.603 -3.800 1.00 0.00 H new ATOM 0 HA ILE A 906 11.607 -2.191 -2.774 1.00 0.00 H new ATOM 0 HB ILE A 906 13.648 -2.533 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 906 11.508 -1.097 -5.178 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.855 -2.245 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.581 -4.689 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.367 -4.722 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.598 -4.565 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.489 -2.312 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.279 -3.859 -5.453 1.00 0.00 H new ATOM 0 HD13 ILE A 906 9.927 -2.694 -4.155 1.00 0.00 H new ATOM 322 N CYS A 907 12.841 -4.139 -1.672 1.00 0.00 N ATOM 323 CA CYS A 907 13.519 -5.068 -0.776 1.00 0.00 C ATOM 324 C CYS A 907 14.334 -6.088 -1.567 1.00 0.00 C ATOM 325 O CYS A 907 13.837 -6.696 -2.515 1.00 0.00 O ATOM 326 CB CYS A 907 12.501 -5.790 0.110 1.00 0.00 C ATOM 327 SG CYS A 907 13.214 -6.516 1.621 1.00 0.00 S ATOM 0 H CYS A 907 11.862 -4.364 -1.850 1.00 0.00 H new ATOM 0 HA CYS A 907 14.198 -4.495 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.718 -5.087 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.026 -6.580 -0.471 1.00 0.00 H new ATOM 0 HG CYS A 907 12.343 -6.456 2.584 1.00 0.00 H new ATOM 332 N ASP A 908 15.589 -6.269 -1.169 1.00 0.00 N ATOM 333 CA ASP A 908 16.474 -7.215 -1.839 1.00 0.00 C ATOM 334 C ASP A 908 16.085 -8.652 -1.505 1.00 0.00 C ATOM 335 O ASP A 908 16.264 -9.559 -2.319 1.00 0.00 O ATOM 336 CB ASP A 908 17.927 -6.960 -1.436 1.00 0.00 C ATOM 337 CG ASP A 908 18.911 -7.427 -2.491 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.727 -7.069 -3.672 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.864 -8.151 -2.134 1.00 0.00 O ATOM 0 H ASP A 908 16.016 -5.773 -0.386 1.00 0.00 H new ATOM 0 HA ASP A 908 16.373 -7.071 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.070 -5.894 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.136 -7.472 -0.497 1.00 0.00 H new ATOM 344 N ARG A 909 15.553 -8.852 -0.304 1.00 0.00 N ATOM 345 CA ARG A 909 15.141 -10.179 0.138 1.00 0.00 C ATOM 346 C ARG A 909 13.926 -10.661 -0.649 1.00 0.00 C ATOM 347 O ARG A 909 13.821 -11.841 -0.987 1.00 0.00 O ATOM 348 CB ARG A 909 14.821 -10.165 1.634 1.00 0.00 C ATOM 349 CG ARG A 909 15.881 -9.478 2.478 1.00 0.00 C ATOM 350 CD ARG A 909 17.179 -10.271 2.497 1.00 0.00 C ATOM 351 NE ARG A 909 18.333 -9.425 2.787 1.00 0.00 N ATOM 352 CZ ARG A 909 19.460 -9.879 3.326 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.582 -11.164 3.630 1.00 0.00 N ATOM 354 NH2 ARG A 909 20.466 -9.047 3.560 1.00 0.00 N ATOM 0 H ARG A 909 15.397 -8.112 0.381 1.00 0.00 H new ATOM 0 HA ARG A 909 15.966 -10.868 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.865 -9.664 1.788 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.702 -11.191 1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.069 -8.479 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 909 15.513 -9.355 3.497 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.111 -11.060 3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 909 17.320 -10.758 1.532 1.00 0.00 H new ATOM 0 HE ARG A 909 18.271 -8.432 2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.810 -11.806 3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.448 -11.510 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 909 20.375 -8.058 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 909 21.331 -9.396 3.974 1.00 0.00 H new ATOM 368 N TYR A 910 13.012 -9.742 -0.938 1.00 0.00 N ATOM 369 CA TYR A 910 11.803 -10.074 -1.682 1.00 0.00 C ATOM 370 C TYR A 910 12.108 -10.249 -3.167 1.00 0.00 C ATOM 371 O TYR A 910 11.708 -11.236 -3.782 1.00 0.00 O ATOM 372 CB TYR A 910 10.747 -8.984 -1.492 1.00 0.00 C ATOM 373 CG TYR A 910 9.483 -9.221 -2.288 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.572 -10.199 -1.907 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.200 -8.468 -3.420 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.416 -10.419 -2.631 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.046 -8.680 -4.150 1.00 0.00 C ATOM 378 CZ TYR A 910 7.157 -9.657 -3.751 1.00 0.00 C ATOM 379 OH TYR A 910 6.008 -9.872 -4.476 1.00 0.00 O ATOM 0 H TYR A 910 13.085 -8.761 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 910 11.416 -11.017 -1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.493 -8.916 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.173 -8.023 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.771 -10.797 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 910 9.894 -7.703 -3.735 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.719 -11.184 -2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.841 -8.085 -5.027 1.00 0.00 H new ATOM 0 HH TYR A 910 5.978 -9.251 -5.233 1.00 0.00 H new ATOM 389 N MET A 911 12.821 -9.282 -3.735 1.00 0.00 N ATOM 390 CA MET A 911 13.183 -9.328 -5.147 1.00 0.00 C ATOM 391 C MET A 911 13.957 -10.603 -5.468 1.00 0.00 C ATOM 392 O MET A 911 13.666 -11.286 -6.449 1.00 0.00 O ATOM 393 CB MET A 911 14.017 -8.102 -5.523 1.00 0.00 C ATOM 394 CG MET A 911 13.184 -6.925 -6.004 1.00 0.00 C ATOM 395 SD MET A 911 12.429 -7.220 -7.614 1.00 0.00 S ATOM 396 CE MET A 911 10.705 -7.385 -7.154 1.00 0.00 C ATOM 0 H MET A 911 13.159 -8.457 -3.239 1.00 0.00 H new ATOM 0 HA MET A 911 12.264 -9.325 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.603 -7.792 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.724 -8.380 -6.305 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.403 -6.715 -5.274 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.814 -6.038 -6.060 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.075 -7.096 -7.995 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.498 -8.421 -6.885 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.492 -6.739 -6.302 1.00 0.00 H new ATOM 406 N ASN A 912 14.945 -10.915 -4.636 1.00 0.00 N ATOM 407 CA ASN A 912 15.762 -12.107 -4.832 1.00 0.00 C ATOM 408 C ASN A 912 14.886 -13.346 -4.995 1.00 0.00 C ATOM 409 O ASN A 912 15.141 -14.192 -5.851 1.00 0.00 O ATOM 410 CB ASN A 912 16.718 -12.296 -3.653 1.00 0.00 C ATOM 411 CG ASN A 912 18.046 -11.596 -3.867 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.104 -12.226 -3.839 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.997 -10.287 -4.083 1.00 0.00 N ATOM 0 H ASN A 912 15.199 -10.359 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 912 16.344 -11.972 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.251 -11.914 -2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.893 -13.361 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.859 -9.762 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.098 -9.806 -4.098 1.00 0.00 H new ATOM 420 N GLY A 913 13.852 -13.446 -4.165 1.00 0.00 N ATOM 421 CA GLY A 913 12.953 -14.584 -4.233 1.00 0.00 C ATOM 422 C GLY A 913 12.082 -14.709 -2.999 1.00 0.00 C ATOM 423 O GLY A 913 10.854 -14.688 -3.092 1.00 0.00 O ATOM 0 H GLY A 913 13.621 -12.760 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.318 -14.489 -5.114 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.536 -15.497 -4.357 1.00 0.00 H new ATOM 427 N THR A 914 12.716 -14.841 -1.839 1.00 0.00 N ATOM 428 CA THR A 914 11.991 -14.973 -0.582 1.00 0.00 C ATOM 429 C THR A 914 12.542 -14.020 0.473 1.00 0.00 C ATOM 430 O THR A 914 13.752 -13.947 0.687 1.00 0.00 O ATOM 431 CB THR A 914 12.060 -16.414 -0.042 1.00 0.00 C ATOM 432 OG1 THR A 914 11.169 -16.565 1.069 1.00 0.00 O ATOM 433 CG2 THR A 914 13.477 -16.764 0.388 1.00 0.00 C ATOM 0 H THR A 914 13.731 -14.859 -1.744 1.00 0.00 H new ATOM 0 HA THR A 914 10.951 -14.720 -0.789 1.00 0.00 H new ATOM 0 HB THR A 914 11.761 -17.092 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.218 -17.484 1.405 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.501 -17.786 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.148 -16.677 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.798 -16.080 1.173 1.00 0.00 H new ATOM 441 N CYS A 915 11.646 -13.293 1.132 1.00 0.00 N ATOM 442 CA CYS A 915 12.041 -12.344 2.166 1.00 0.00 C ATOM 443 C CYS A 915 11.479 -12.753 3.524 1.00 0.00 C ATOM 444 O CYS A 915 10.351 -13.235 3.637 1.00 0.00 O ATOM 445 CB CYS A 915 11.562 -10.936 1.806 1.00 0.00 C ATOM 446 SG CYS A 915 11.530 -9.780 3.213 1.00 0.00 S ATOM 0 H CYS A 915 10.641 -13.343 0.968 1.00 0.00 H new ATOM 0 HA CYS A 915 13.129 -12.345 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 915 12.211 -10.530 1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.561 -11.002 1.381 1.00 0.00 H new ATOM 0 HG CYS A 915 10.489 -9.008 3.116 1.00 0.00 H new ATOM 451 N PRO A 916 12.282 -12.558 4.580 1.00 0.00 N ATOM 452 CA PRO A 916 11.886 -12.900 5.950 1.00 0.00 C ATOM 453 C PRO A 916 10.796 -11.977 6.484 1.00 0.00 C ATOM 454 O PRO A 916 9.815 -12.436 7.069 1.00 0.00 O ATOM 455 CB PRO A 916 13.179 -12.718 6.748 1.00 0.00 C ATOM 456 CG PRO A 916 13.976 -11.735 5.962 1.00 0.00 C ATOM 457 CD PRO A 916 13.639 -11.989 4.519 1.00 0.00 C ATOM 0 HA PRO A 916 11.466 -13.904 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.975 -12.348 7.753 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.712 -13.662 6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.726 -10.713 6.247 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.043 -11.865 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.663 -11.070 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.344 -12.680 4.057 1.00 0.00 H new ATOM 465 N GLU A 917 10.975 -10.676 6.280 1.00 0.00 N ATOM 466 CA GLU A 917 10.005 -9.690 6.742 1.00 0.00 C ATOM 467 C GLU A 917 8.599 -10.045 6.267 1.00 0.00 C ATOM 468 O GLU A 917 7.678 -10.187 7.070 1.00 0.00 O ATOM 469 CB GLU A 917 10.386 -8.295 6.245 1.00 0.00 C ATOM 470 CG GLU A 917 11.780 -7.859 6.664 1.00 0.00 C ATOM 471 CD GLU A 917 12.055 -8.116 8.133 1.00 0.00 C ATOM 472 OE1 GLU A 917 12.212 -9.297 8.509 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.112 -7.137 8.907 1.00 0.00 O ATOM 0 H GLU A 917 11.782 -10.280 5.798 1.00 0.00 H new ATOM 0 HA GLU A 917 10.013 -9.694 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.320 -8.276 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.660 -7.574 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.518 -8.388 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.902 -6.796 6.456 1.00 0.00 H new ATOM 480 N GLY A 918 8.443 -10.187 4.954 1.00 0.00 N ATOM 481 CA GLY A 918 7.147 -10.523 4.393 1.00 0.00 C ATOM 482 C GLY A 918 6.341 -9.295 4.018 1.00 0.00 C ATOM 483 O GLY A 918 6.701 -8.567 3.094 1.00 0.00 O ATOM 0 H GLY A 918 9.191 -10.075 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.288 -11.145 3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.585 -11.116 5.114 1.00 0.00 H new ATOM 487 N ASN A 919 5.247 -9.065 4.737 1.00 0.00 N ATOM 488 CA ASN A 919 4.387 -7.917 4.473 1.00 0.00 C ATOM 489 C ASN A 919 4.751 -6.744 5.378 1.00 0.00 C ATOM 490 O ASN A 919 4.633 -5.584 4.986 1.00 0.00 O ATOM 491 CB ASN A 919 2.919 -8.297 4.678 1.00 0.00 C ATOM 492 CG ASN A 919 2.628 -8.734 6.100 1.00 0.00 C ATOM 493 OD1 ASN A 919 3.378 -9.513 6.688 1.00 0.00 O ATOM 494 ND2 ASN A 919 1.532 -8.234 6.661 1.00 0.00 N ATOM 0 H ASN A 919 4.935 -9.658 5.506 1.00 0.00 H new ATOM 0 HA ASN A 919 4.537 -7.613 3.437 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.287 -7.445 4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.656 -9.102 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.284 -8.493 7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 919 0.939 -7.591 6.137 1.00 0.00 H new ATOM 501 N SER A 920 5.196 -7.056 6.591 1.00 0.00 N ATOM 502 CA SER A 920 5.575 -6.028 7.554 1.00 0.00 C ATOM 503 C SER A 920 7.018 -5.583 7.334 1.00 0.00 C ATOM 504 O SER A 920 7.722 -5.228 8.279 1.00 0.00 O ATOM 505 CB SER A 920 5.403 -6.549 8.982 1.00 0.00 C ATOM 506 OG SER A 920 5.089 -5.494 9.875 1.00 0.00 O ATOM 0 H SER A 920 5.303 -8.012 6.930 1.00 0.00 H new ATOM 0 HA SER A 920 4.921 -5.168 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 920 4.612 -7.298 9.006 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.319 -7.043 9.305 1.00 0.00 H new ATOM 0 HG SER A 920 4.983 -5.853 10.781 1.00 0.00 H new ATOM 512 N CYS A 921 7.452 -5.605 6.078 1.00 0.00 N ATOM 513 CA CYS A 921 8.810 -5.206 5.730 1.00 0.00 C ATOM 514 C CYS A 921 8.913 -3.689 5.595 1.00 0.00 C ATOM 515 O CYS A 921 7.918 -3.008 5.343 1.00 0.00 O ATOM 516 CB CYS A 921 9.243 -5.876 4.425 1.00 0.00 C ATOM 517 SG CYS A 921 11.047 -5.918 4.174 1.00 0.00 S ATOM 0 H CYS A 921 6.882 -5.895 5.284 1.00 0.00 H new ATOM 0 HA CYS A 921 9.474 -5.528 6.533 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.861 -6.897 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.783 -5.350 3.589 1.00 0.00 H new ATOM 0 HG CYS A 921 11.387 -5.005 3.313 1.00 0.00 H new ATOM 522 N LYS A 922 10.123 -3.166 5.762 1.00 0.00 N ATOM 523 CA LYS A 922 10.358 -1.731 5.658 1.00 0.00 C ATOM 524 C LYS A 922 10.567 -1.319 4.204 1.00 0.00 C ATOM 525 O LYS A 922 10.307 -0.175 3.829 1.00 0.00 O ATOM 526 CB LYS A 922 11.576 -1.331 6.492 1.00 0.00 C ATOM 527 CG LYS A 922 12.891 -1.854 5.940 1.00 0.00 C ATOM 528 CD LYS A 922 14.044 -0.919 6.263 1.00 0.00 C ATOM 529 CE LYS A 922 14.739 -1.317 7.555 1.00 0.00 C ATOM 530 NZ LYS A 922 15.433 -2.628 7.431 1.00 0.00 N ATOM 0 H LYS A 922 10.957 -3.715 5.970 1.00 0.00 H new ATOM 0 HA LYS A 922 9.478 -1.215 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.624 -0.244 6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.446 -1.700 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 922 13.094 -2.841 6.356 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.811 -1.974 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.763 -0.930 5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.673 0.102 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.461 -0.549 7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 922 14.006 -1.369 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.100 -3.269 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.226 -3.044 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 16.459 -2.488 7.527 1.00 0.00 H new ATOM 544 N PHE A 923 11.036 -2.258 3.389 1.00 0.00 N ATOM 545 CA PHE A 923 11.279 -1.992 1.976 1.00 0.00 C ATOM 546 C PHE A 923 10.084 -2.420 1.129 1.00 0.00 C ATOM 547 O PHE A 923 9.245 -3.204 1.571 1.00 0.00 O ATOM 548 CB PHE A 923 12.539 -2.722 1.507 1.00 0.00 C ATOM 549 CG PHE A 923 13.797 -2.227 2.162 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.424 -1.078 1.710 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.352 -2.912 3.231 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.582 -0.620 2.311 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.509 -2.459 3.836 1.00 0.00 C ATOM 554 CZ PHE A 923 16.125 -1.312 3.375 1.00 0.00 C ATOM 0 H PHE A 923 11.255 -3.210 3.683 1.00 0.00 H new ATOM 0 HA PHE A 923 11.423 -0.919 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.429 -3.787 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.633 -2.611 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 923 14.003 -0.533 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 923 13.875 -3.810 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 923 16.061 0.278 1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 923 15.931 -3.002 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.030 -0.957 3.846 1.00 0.00 H new ATOM 564 N ALA A 924 10.015 -1.899 -0.092 1.00 0.00 N ATOM 565 CA ALA A 924 8.926 -2.228 -1.002 1.00 0.00 C ATOM 566 C ALA A 924 9.047 -3.662 -1.508 1.00 0.00 C ATOM 567 O ALA A 924 10.141 -4.225 -1.553 1.00 0.00 O ATOM 568 CB ALA A 924 8.902 -1.254 -2.171 1.00 0.00 C ATOM 0 H ALA A 924 10.701 -1.247 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 924 7.988 -2.142 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.083 -1.512 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.759 -0.240 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.847 -1.311 -2.712 1.00 0.00 H new ATOM 574 N HIS A 925 7.915 -4.248 -1.888 1.00 0.00 N ATOM 575 CA HIS A 925 7.895 -5.617 -2.390 1.00 0.00 C ATOM 576 C HIS A 925 7.272 -5.676 -3.782 1.00 0.00 C ATOM 577 O HIS A 925 6.052 -5.736 -3.924 1.00 0.00 O ATOM 578 CB HIS A 925 7.120 -6.523 -1.433 1.00 0.00 C ATOM 579 CG HIS A 925 7.937 -7.011 -0.277 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.676 -8.193 0.383 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.016 -6.470 0.336 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.558 -8.358 1.352 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.383 -7.326 1.345 1.00 0.00 N ATOM 0 H HIS A 925 7.001 -3.796 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 925 8.925 -5.968 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.255 -5.980 -1.052 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.739 -7.381 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.498 -5.538 0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.598 -9.194 2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.165 -7.188 1.985 1.00 0.00 H new ATOM 591 N GLY A 926 8.120 -5.657 -4.806 1.00 0.00 N ATOM 592 CA GLY A 926 7.633 -5.707 -6.173 1.00 0.00 C ATOM 593 C GLY A 926 7.556 -4.335 -6.812 1.00 0.00 C ATOM 594 O GLY A 926 6.862 -3.450 -6.315 1.00 0.00 O ATOM 0 H GLY A 926 9.135 -5.608 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.289 -6.344 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.645 -6.167 -6.187 1.00 0.00 H new ATOM 598 N ASN A 927 8.273 -4.158 -7.917 1.00 0.00 N ATOM 599 CA ASN A 927 8.285 -2.882 -8.624 1.00 0.00 C ATOM 600 C ASN A 927 6.893 -2.256 -8.640 1.00 0.00 C ATOM 601 O ASN A 927 6.725 -1.084 -8.306 1.00 0.00 O ATOM 602 CB ASN A 927 8.786 -3.074 -10.057 1.00 0.00 C ATOM 603 CG ASN A 927 10.224 -3.553 -10.107 1.00 0.00 C ATOM 604 OD1 ASN A 927 11.157 -2.751 -10.123 1.00 0.00 O ATOM 605 ND2 ASN A 927 10.409 -4.868 -10.132 1.00 0.00 N ATOM 0 H ASN A 927 8.853 -4.881 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 927 8.961 -2.209 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.148 -3.794 -10.569 1.00 0.00 H new ATOM 0 HB3 ASN A 927 8.701 -2.132 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 927 11.354 -5.249 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 927 9.606 -5.496 -10.117 1.00 0.00 H new ATOM 612 N ALA A 928 5.899 -3.047 -9.029 1.00 0.00 N ATOM 613 CA ALA A 928 4.522 -2.572 -9.086 1.00 0.00 C ATOM 614 C ALA A 928 4.089 -1.982 -7.748 1.00 0.00 C ATOM 615 O ALA A 928 3.622 -0.846 -7.683 1.00 0.00 O ATOM 616 CB ALA A 928 3.590 -3.704 -9.493 1.00 0.00 C ATOM 0 H ALA A 928 6.021 -4.020 -9.309 1.00 0.00 H new ATOM 0 HA ALA A 928 4.466 -1.783 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.565 -3.335 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.879 -4.077 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.658 -4.511 -8.764 1.00 0.00 H new ATOM 622 N GLU A 929 4.248 -2.763 -6.684 1.00 0.00 N ATOM 623 CA GLU A 929 3.871 -2.316 -5.348 1.00 0.00 C ATOM 624 C GLU A 929 4.458 -0.940 -5.048 1.00 0.00 C ATOM 625 O GLU A 929 3.753 -0.038 -4.593 1.00 0.00 O ATOM 626 CB GLU A 929 4.344 -3.324 -4.297 1.00 0.00 C ATOM 627 CG GLU A 929 3.571 -3.249 -2.991 1.00 0.00 C ATOM 628 CD GLU A 929 3.796 -4.462 -2.110 1.00 0.00 C ATOM 629 OE1 GLU A 929 3.147 -5.500 -2.355 1.00 0.00 O ATOM 630 OE2 GLU A 929 4.620 -4.373 -1.176 1.00 0.00 O ATOM 0 H GLU A 929 4.634 -3.706 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 929 2.784 -2.244 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.255 -4.331 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.402 -3.155 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.867 -2.351 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.507 -3.154 -3.208 1.00 0.00 H new ATOM 637 N LEU A 930 5.751 -0.786 -5.307 1.00 0.00 N ATOM 638 CA LEU A 930 6.435 0.480 -5.065 1.00 0.00 C ATOM 639 C LEU A 930 5.641 1.647 -5.645 1.00 0.00 C ATOM 640 O LEU A 930 5.328 2.609 -4.943 1.00 0.00 O ATOM 641 CB LEU A 930 7.838 0.450 -5.674 1.00 0.00 C ATOM 642 CG LEU A 930 8.606 1.772 -5.656 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.185 2.034 -4.274 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.708 1.762 -6.705 1.00 0.00 C ATOM 0 H LEU A 930 6.348 -1.522 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 930 6.517 0.620 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.427 -0.297 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.756 0.114 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 930 7.912 2.577 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.728 2.979 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.377 2.085 -3.545 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.866 1.226 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.244 2.711 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.401 0.947 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.269 1.621 -7.693 1.00 0.00 H new ATOM 656 N HIS A 931 5.317 1.553 -6.931 1.00 0.00 N ATOM 657 CA HIS A 931 4.557 2.600 -7.606 1.00 0.00 C ATOM 658 C HIS A 931 3.499 3.188 -6.677 1.00 0.00 C ATOM 659 O HIS A 931 3.432 4.402 -6.487 1.00 0.00 O ATOM 660 CB HIS A 931 3.893 2.045 -8.867 1.00 0.00 C ATOM 661 CG HIS A 931 4.833 1.291 -9.756 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.408 0.393 -10.712 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.185 1.306 -9.831 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.456 -0.112 -11.336 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.547 0.425 -10.820 1.00 0.00 N ATOM 0 H HIS A 931 5.568 0.764 -7.526 1.00 0.00 H new ATOM 0 HA HIS A 931 5.249 3.393 -7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.074 1.387 -8.577 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.456 2.869 -9.430 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.854 1.900 -9.226 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.426 -0.840 -12.133 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.503 0.219 -11.109 1.00 0.00 H new ATOM 673 N GLU A 932 2.675 2.318 -6.101 1.00 0.00 N ATOM 674 CA GLU A 932 1.619 2.753 -5.193 1.00 0.00 C ATOM 675 C GLU A 932 2.208 3.448 -3.969 1.00 0.00 C ATOM 676 O GLU A 932 1.734 4.507 -3.556 1.00 0.00 O ATOM 677 CB GLU A 932 0.769 1.559 -4.755 1.00 0.00 C ATOM 678 CG GLU A 932 -0.203 1.080 -5.821 1.00 0.00 C ATOM 679 CD GLU A 932 0.497 0.424 -6.996 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.302 -0.502 -6.764 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.239 0.836 -8.146 1.00 0.00 O ATOM 0 H GLU A 932 2.718 1.309 -6.246 1.00 0.00 H new ATOM 0 HA GLU A 932 0.987 3.464 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.428 0.736 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.209 1.831 -3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.902 0.371 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.790 1.926 -6.179 1.00 0.00 H new ATOM 688 N TRP A 933 3.241 2.845 -3.393 1.00 0.00 N ATOM 689 CA TRP A 933 3.894 3.406 -2.215 1.00 0.00 C ATOM 690 C TRP A 933 4.304 4.854 -2.458 1.00 0.00 C ATOM 691 O TRP A 933 4.119 5.713 -1.597 1.00 0.00 O ATOM 692 CB TRP A 933 5.120 2.571 -1.840 1.00 0.00 C ATOM 693 CG TRP A 933 4.807 1.444 -0.904 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.594 0.845 -0.719 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.722 0.782 -0.023 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.699 -0.150 0.224 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.995 -0.208 0.665 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.085 0.929 0.249 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.586 -1.045 1.608 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.670 0.098 1.185 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.922 -0.879 1.855 1.00 0.00 C ATOM 0 H TRP A 933 3.645 1.968 -3.722 1.00 0.00 H new ATOM 0 HA TRP A 933 3.182 3.384 -1.390 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.567 2.166 -2.748 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.866 3.220 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.685 1.113 -1.237 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.936 -0.748 0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.670 1.678 -0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.011 -1.798 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.722 0.203 1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.409 -1.514 2.581 1.00 0.00 H new ATOM 712 N GLU A 934 4.863 5.117 -3.635 1.00 0.00 N ATOM 713 CA GLU A 934 5.299 6.463 -3.989 1.00 0.00 C ATOM 714 C GLU A 934 4.209 7.486 -3.686 1.00 0.00 C ATOM 715 O GLU A 934 4.484 8.564 -3.161 1.00 0.00 O ATOM 716 CB GLU A 934 5.677 6.527 -5.470 1.00 0.00 C ATOM 717 CG GLU A 934 7.013 5.876 -5.787 1.00 0.00 C ATOM 718 CD GLU A 934 7.162 5.534 -7.257 1.00 0.00 C ATOM 719 OE1 GLU A 934 6.129 5.444 -7.953 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.312 5.358 -7.710 1.00 0.00 O ATOM 0 H GLU A 934 5.025 4.417 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 934 6.175 6.703 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 934 4.897 6.041 -6.056 1.00 0.00 H new ATOM 0 HB3 GLU A 934 5.708 7.570 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.819 6.547 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.120 4.968 -5.194 1.00 0.00 H new ATOM 727 N GLU A 935 2.970 7.139 -4.022 1.00 0.00 N ATOM 728 CA GLU A 935 1.838 8.028 -3.787 1.00 0.00 C ATOM 729 C GLU A 935 1.422 8.002 -2.319 1.00 0.00 C ATOM 730 O GLU A 935 1.298 9.047 -1.680 1.00 0.00 O ATOM 731 CB GLU A 935 0.655 7.629 -4.671 1.00 0.00 C ATOM 732 CG GLU A 935 0.975 7.640 -6.157 1.00 0.00 C ATOM 733 CD GLU A 935 0.902 9.030 -6.759 1.00 0.00 C ATOM 734 OE1 GLU A 935 1.806 9.845 -6.480 1.00 0.00 O ATOM 735 OE2 GLU A 935 -0.059 9.303 -7.508 1.00 0.00 O ATOM 0 H GLU A 935 2.725 6.250 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 935 2.146 9.042 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.320 6.631 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.175 8.309 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 935 1.974 7.233 -6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.278 6.985 -6.680 1.00 0.00 H new ATOM 742 N ARG A 936 1.206 6.801 -1.792 1.00 0.00 N ATOM 743 CA ARG A 936 0.802 6.639 -0.401 1.00 0.00 C ATOM 744 C ARG A 936 1.518 7.645 0.495 1.00 0.00 C ATOM 745 O ARG A 936 0.881 8.411 1.218 1.00 0.00 O ATOM 746 CB ARG A 936 1.097 5.215 0.075 1.00 0.00 C ATOM 747 CG ARG A 936 0.309 4.149 -0.668 1.00 0.00 C ATOM 748 CD ARG A 936 0.423 2.795 0.015 1.00 0.00 C ATOM 749 NE ARG A 936 -0.777 1.984 -0.173 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.911 2.185 0.488 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.999 3.165 1.376 1.00 0.00 N ATOM 752 NH2 ARG A 936 -2.960 1.405 0.262 1.00 0.00 N ATOM 0 H ARG A 936 1.304 5.926 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.271 6.822 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 936 2.162 5.015 -0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.874 5.143 1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -0.739 4.443 -0.724 1.00 0.00 H new ATOM 0 HG3 ARG A 936 0.674 4.073 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 936 1.287 2.261 -0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.599 2.940 1.081 1.00 0.00 H new ATOM 0 HE ARG A 936 -0.742 1.221 -0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.195 3.767 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.871 3.317 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -2.896 0.650 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.830 1.561 0.771 1.00 0.00 H new ATOM 766 N ARG A 937 2.846 7.636 0.441 1.00 0.00 N ATOM 767 CA ARG A 937 3.649 8.547 1.249 1.00 0.00 C ATOM 768 C ARG A 937 3.435 9.993 0.812 1.00 0.00 C ATOM 769 O ARG A 937 3.054 10.844 1.616 1.00 0.00 O ATOM 770 CB ARG A 937 5.132 8.184 1.142 1.00 0.00 C ATOM 771 CG ARG A 937 6.005 8.882 2.172 1.00 0.00 C ATOM 772 CD ARG A 937 7.204 8.029 2.555 1.00 0.00 C ATOM 773 NE ARG A 937 7.977 8.627 3.640 1.00 0.00 N ATOM 774 CZ ARG A 937 8.924 9.540 3.452 1.00 0.00 C ATOM 775 NH1 ARG A 937 9.213 9.957 2.227 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.584 10.037 4.490 1.00 0.00 N ATOM 0 H ARG A 937 3.388 7.009 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 937 3.332 8.449 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.243 7.106 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.489 8.438 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.349 9.836 1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.415 9.102 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.863 7.039 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.846 7.894 1.684 1.00 0.00 H new ATOM 0 HE ARG A 937 7.779 8.327 4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.708 9.577 1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.940 10.658 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.365 9.718 5.434 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.311 10.738 4.344 1.00 0.00 H new ATOM 790 N ASP A 938 3.684 10.263 -0.464 1.00 0.00 N ATOM 791 CA ASP A 938 3.519 11.606 -1.008 1.00 0.00 C ATOM 792 C ASP A 938 2.255 12.262 -0.460 1.00 0.00 C ATOM 793 O ASP A 938 2.292 13.392 0.026 1.00 0.00 O ATOM 794 CB ASP A 938 3.462 11.558 -2.535 1.00 0.00 C ATOM 795 CG ASP A 938 2.603 12.663 -3.118 1.00 0.00 C ATOM 796 OD1 ASP A 938 1.375 12.641 -2.892 1.00 0.00 O ATOM 797 OD2 ASP A 938 3.159 13.549 -3.800 1.00 0.00 O ATOM 0 H ASP A 938 4.001 9.570 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 938 4.379 12.203 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.472 11.638 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.069 10.592 -2.851 1.00 0.00 H new