USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=10 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 -140:sc= -0.0317 USER MOD Set 1.2: A 915 CYS SG : rot 90:sc= -2.31 USER MOD Set 1.3: A 921 CYS SG : rot -150:sc= -3.16 USER MOD Set 1.4: A 925 HIS : no HD1:sc= -1.2 X(o=-6.7,f=-6.6) USER MOD Single : A 897 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-3.7!) USER MOD Single : A 901 THR OG1 : rot 140:sc= 0 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 15:sc= 0.393 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl -109:sc= -0.4 (180deg=-1.52) USER MOD Single : A 912 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= 0.0122 K(o=0.012,f=-2.1!) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 931 HIS : no HD1:sc= -2.64 X(o=-2.6,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.839 -1.654 -1.339 1.00 0.00 N ATOM 156 CA HIS A 897 -1.624 -2.375 -0.974 1.00 0.00 C ATOM 157 C HIS A 897 -1.010 -1.796 0.296 1.00 0.00 C ATOM 158 O HIS A 897 -1.381 -0.708 0.737 1.00 0.00 O ATOM 159 CB HIS A 897 -0.610 -2.319 -2.117 1.00 0.00 C ATOM 160 CG HIS A 897 -1.103 -2.944 -3.386 1.00 0.00 C ATOM 161 ND1 HIS A 897 -1.199 -4.307 -3.566 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.529 -2.382 -4.541 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.662 -4.558 -4.777 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.871 -3.407 -5.390 1.00 0.00 N ATOM 0 HA HIS A 897 -1.890 -3.415 -0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.351 -1.278 -2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.305 -2.823 -1.805 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -1.589 -1.325 -4.755 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.840 -5.538 -5.195 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -2.228 -3.297 -6.339 1.00 0.00 H new ATOM 172 N ARG A 898 -0.069 -2.530 0.881 1.00 0.00 N ATOM 173 CA ARG A 898 0.596 -2.090 2.102 1.00 0.00 C ATOM 174 C ARG A 898 1.050 -0.638 1.980 1.00 0.00 C ATOM 175 O ARG A 898 1.161 -0.102 0.878 1.00 0.00 O ATOM 176 CB ARG A 898 1.797 -2.987 2.405 1.00 0.00 C ATOM 177 CG ARG A 898 1.431 -4.450 2.599 1.00 0.00 C ATOM 178 CD ARG A 898 2.563 -5.369 2.168 1.00 0.00 C ATOM 179 NE ARG A 898 2.198 -6.778 2.283 1.00 0.00 N ATOM 180 CZ ARG A 898 2.955 -7.773 1.833 1.00 0.00 C ATOM 181 NH1 ARG A 898 4.112 -7.514 1.241 1.00 0.00 N ATOM 182 NH2 ARG A 898 2.554 -9.030 1.975 1.00 0.00 N ATOM 0 H ARG A 898 0.250 -3.433 0.529 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.119 -2.162 2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.515 -2.906 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.294 -2.623 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 898 1.193 -4.631 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.534 -4.681 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 898 2.836 -5.148 1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 898 3.443 -5.171 2.780 1.00 0.00 H new ATOM 0 HE ARG A 898 1.313 -7.011 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 898 4.423 -6.549 1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 898 4.691 -8.280 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 898 1.664 -9.233 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 898 3.136 -9.793 1.629 1.00 0.00 H new ATOM 196 N PHE A 899 1.309 -0.008 3.121 1.00 0.00 N ATOM 197 CA PHE A 899 1.749 1.382 3.143 1.00 0.00 C ATOM 198 C PHE A 899 3.268 1.470 3.261 1.00 0.00 C ATOM 199 O PHE A 899 3.904 0.716 3.997 1.00 0.00 O ATOM 200 CB PHE A 899 1.093 2.129 4.307 1.00 0.00 C ATOM 201 CG PHE A 899 1.315 3.614 4.268 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.583 4.142 4.449 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.257 4.481 4.052 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.792 5.508 4.413 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.459 5.848 4.015 1.00 0.00 C ATOM 206 CZ PHE A 899 1.728 6.362 4.197 1.00 0.00 C ATOM 0 H PHE A 899 1.222 -0.438 4.042 1.00 0.00 H new ATOM 0 HA PHE A 899 1.447 1.847 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.021 1.930 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.483 1.736 5.246 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.418 3.479 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.738 4.084 3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.786 5.907 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.374 6.513 3.844 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.888 7.430 4.170 1.00 0.00 H new ATOM 216 N PRO A 900 3.865 2.414 2.517 1.00 0.00 N ATOM 217 CA PRO A 900 5.315 2.624 2.519 1.00 0.00 C ATOM 218 C PRO A 900 5.815 3.208 3.836 1.00 0.00 C ATOM 219 O PRO A 900 5.825 4.425 4.024 1.00 0.00 O ATOM 220 CB PRO A 900 5.532 3.619 1.377 1.00 0.00 C ATOM 221 CG PRO A 900 4.236 4.344 1.256 1.00 0.00 C ATOM 222 CD PRO A 900 3.169 3.348 1.617 1.00 0.00 C ATOM 0 HA PRO A 900 5.861 1.689 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.350 4.304 1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.788 3.107 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.207 5.206 1.923 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.092 4.720 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.323 3.826 2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.778 2.840 0.735 1.00 0.00 H new ATOM 230 N THR A 901 6.229 2.332 4.747 1.00 0.00 N ATOM 231 CA THR A 901 6.728 2.761 6.048 1.00 0.00 C ATOM 232 C THR A 901 7.450 4.100 5.945 1.00 0.00 C ATOM 233 O THR A 901 7.363 4.934 6.845 1.00 0.00 O ATOM 234 CB THR A 901 7.688 1.719 6.652 1.00 0.00 C ATOM 235 OG1 THR A 901 8.868 1.614 5.847 1.00 0.00 O ATOM 236 CG2 THR A 901 7.015 0.359 6.754 1.00 0.00 C ATOM 0 H THR A 901 6.228 1.322 4.608 1.00 0.00 H new ATOM 0 HA THR A 901 5.861 2.867 6.700 1.00 0.00 H new ATOM 0 HB THR A 901 7.961 2.048 7.655 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.653 1.526 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.712 -0.361 7.183 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.134 0.436 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.716 0.026 5.760 1.00 0.00 H new ATOM 244 N GLY A 902 8.163 4.300 4.840 1.00 0.00 N ATOM 245 CA GLY A 902 8.889 5.541 4.640 1.00 0.00 C ATOM 246 C GLY A 902 10.073 5.376 3.708 1.00 0.00 C ATOM 247 O GLY A 902 10.639 6.360 3.233 1.00 0.00 O ATOM 0 H GLY A 902 8.251 3.625 4.080 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.212 6.293 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.238 5.914 5.603 1.00 0.00 H new ATOM 251 N TYR A 903 10.449 4.129 3.448 1.00 0.00 N ATOM 252 CA TYR A 903 11.576 3.839 2.570 1.00 0.00 C ATOM 253 C TYR A 903 11.125 3.747 1.115 1.00 0.00 C ATOM 254 O TYR A 903 10.177 3.031 0.791 1.00 0.00 O ATOM 255 CB TYR A 903 12.253 2.532 2.988 1.00 0.00 C ATOM 256 CG TYR A 903 12.926 2.605 4.340 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.180 2.765 5.502 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.307 2.512 4.456 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.791 2.832 6.739 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.927 2.578 5.689 1.00 0.00 C ATOM 261 CZ TYR A 903 14.165 2.738 6.827 1.00 0.00 C ATOM 262 OH TYR A 903 14.777 2.804 8.058 1.00 0.00 O ATOM 0 H TYR A 903 9.990 3.303 3.833 1.00 0.00 H new ATOM 0 HA TYR A 903 12.291 4.657 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.509 1.736 3.004 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.994 2.260 2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.104 2.838 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.907 2.386 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.197 2.957 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.002 2.505 5.761 1.00 0.00 H new ATOM 0 HH TYR A 903 15.747 2.721 7.946 1.00 0.00 H new ATOM 272 N PHE A 904 11.810 4.479 0.243 1.00 0.00 N ATOM 273 CA PHE A 904 11.481 4.481 -1.178 1.00 0.00 C ATOM 274 C PHE A 904 12.392 3.532 -1.950 1.00 0.00 C ATOM 275 O PHE A 904 13.040 3.927 -2.920 1.00 0.00 O ATOM 276 CB PHE A 904 11.599 5.897 -1.748 1.00 0.00 C ATOM 277 CG PHE A 904 11.460 5.955 -3.242 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.395 5.335 -3.877 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.394 6.628 -4.012 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.264 5.387 -5.252 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.268 6.684 -5.388 1.00 0.00 C ATOM 282 CZ PHE A 904 11.202 6.062 -6.008 1.00 0.00 C ATOM 0 H PHE A 904 12.596 5.078 0.495 1.00 0.00 H new ATOM 0 HA PHE A 904 10.453 4.137 -1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.834 6.527 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.565 6.315 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.659 4.805 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.230 7.115 -3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.429 4.900 -5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.002 7.213 -5.977 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.102 6.103 -7.083 1.00 0.00 H new ATOM 292 N SER A 905 12.438 2.278 -1.511 1.00 0.00 N ATOM 293 CA SER A 905 13.274 1.273 -2.157 1.00 0.00 C ATOM 294 C SER A 905 12.681 -0.122 -1.980 1.00 0.00 C ATOM 295 O SER A 905 12.003 -0.398 -0.990 1.00 0.00 O ATOM 296 CB SER A 905 14.692 1.313 -1.585 1.00 0.00 C ATOM 297 OG SER A 905 15.429 2.396 -2.124 1.00 0.00 O ATOM 0 H SER A 905 11.907 1.934 -0.711 1.00 0.00 H new ATOM 0 HA SER A 905 13.314 1.500 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.647 1.404 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.203 0.376 -1.806 1.00 0.00 H new ATOM 0 HG SER A 905 14.816 3.025 -2.558 1.00 0.00 H new ATOM 303 N ILE A 906 12.941 -0.996 -2.946 1.00 0.00 N ATOM 304 CA ILE A 906 12.435 -2.362 -2.897 1.00 0.00 C ATOM 305 C ILE A 906 13.355 -3.260 -2.077 1.00 0.00 C ATOM 306 O ILE A 906 14.566 -3.042 -2.023 1.00 0.00 O ATOM 307 CB ILE A 906 12.280 -2.956 -4.309 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.053 -2.362 -5.005 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.171 -4.472 -4.237 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.825 -2.907 -6.397 1.00 0.00 C ATOM 0 H ILE A 906 13.499 -0.782 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 906 11.455 -2.319 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 906 13.165 -2.701 -4.893 1.00 0.00 H new ATOM 0 HG12 ILE A 906 10.170 -2.559 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.166 -1.279 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.062 -4.877 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.071 -4.880 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.302 -4.746 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.939 -2.442 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 906 11.692 -2.687 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.680 -3.986 -6.346 1.00 0.00 H new ATOM 322 N CYS A 907 12.773 -4.272 -1.443 1.00 0.00 N ATOM 323 CA CYS A 907 13.540 -5.206 -0.627 1.00 0.00 C ATOM 324 C CYS A 907 14.437 -6.081 -1.498 1.00 0.00 C ATOM 325 O CYS A 907 13.991 -6.641 -2.500 1.00 0.00 O ATOM 326 CB CYS A 907 12.599 -6.085 0.200 1.00 0.00 C ATOM 327 SG CYS A 907 13.391 -6.873 1.639 1.00 0.00 S ATOM 0 H CYS A 907 11.772 -4.467 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 907 14.172 -4.627 0.047 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.763 -5.478 0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.185 -6.861 -0.444 1.00 0.00 H new ATOM 0 HG CYS A 907 12.953 -8.091 1.763 1.00 0.00 H new ATOM 332 N ASP A 908 15.702 -6.193 -1.110 1.00 0.00 N ATOM 333 CA ASP A 908 16.662 -7.000 -1.854 1.00 0.00 C ATOM 334 C ASP A 908 16.331 -8.484 -1.736 1.00 0.00 C ATOM 335 O ASP A 908 16.499 -9.246 -2.688 1.00 0.00 O ATOM 336 CB ASP A 908 18.081 -6.739 -1.348 1.00 0.00 C ATOM 337 CG ASP A 908 18.714 -5.525 -1.999 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.943 -5.562 -3.226 1.00 0.00 O ATOM 339 OD2 ASP A 908 18.980 -4.539 -1.281 1.00 0.00 O ATOM 0 H ASP A 908 16.087 -5.735 -0.284 1.00 0.00 H new ATOM 0 HA ASP A 908 16.602 -6.715 -2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.058 -6.598 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.700 -7.615 -1.542 1.00 0.00 H new ATOM 344 N ARG A 909 15.860 -8.889 -0.561 1.00 0.00 N ATOM 345 CA ARG A 909 15.507 -10.282 -0.317 1.00 0.00 C ATOM 346 C ARG A 909 14.302 -10.693 -1.158 1.00 0.00 C ATOM 347 O ARG A 909 14.355 -11.675 -1.899 1.00 0.00 O ATOM 348 CB ARG A 909 15.207 -10.503 1.167 1.00 0.00 C ATOM 349 CG ARG A 909 16.408 -10.280 2.071 1.00 0.00 C ATOM 350 CD ARG A 909 16.485 -8.838 2.549 1.00 0.00 C ATOM 351 NE ARG A 909 17.395 -8.685 3.681 1.00 0.00 N ATOM 352 CZ ARG A 909 18.706 -8.518 3.553 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.258 -8.482 2.348 1.00 0.00 N ATOM 354 NH2 ARG A 909 19.468 -8.385 4.631 1.00 0.00 N ATOM 0 H ARG A 909 15.714 -8.271 0.237 1.00 0.00 H new ATOM 0 HA ARG A 909 16.357 -10.901 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.405 -9.831 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.841 -11.520 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.346 -10.947 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.321 -10.536 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.816 -8.201 1.729 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.490 -8.497 2.835 1.00 0.00 H new ATOM 0 HE ARG A 909 17.002 -8.708 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.675 -8.583 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.265 -8.354 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 909 19.047 -8.411 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 909 20.475 -8.257 4.531 1.00 0.00 H new ATOM 368 N TYR A 910 13.217 -9.936 -1.036 1.00 0.00 N ATOM 369 CA TYR A 910 11.997 -10.223 -1.782 1.00 0.00 C ATOM 370 C TYR A 910 12.271 -10.254 -3.283 1.00 0.00 C ATOM 371 O TYR A 910 11.728 -11.088 -4.007 1.00 0.00 O ATOM 372 CB TYR A 910 10.925 -9.178 -1.469 1.00 0.00 C ATOM 373 CG TYR A 910 9.680 -9.316 -2.315 1.00 0.00 C ATOM 374 CD1 TYR A 910 9.606 -8.741 -3.578 1.00 0.00 C ATOM 375 CD2 TYR A 910 8.577 -10.023 -1.852 1.00 0.00 C ATOM 376 CE1 TYR A 910 8.470 -8.864 -4.354 1.00 0.00 C ATOM 377 CE2 TYR A 910 7.437 -10.153 -2.622 1.00 0.00 C ATOM 378 CZ TYR A 910 7.388 -9.571 -3.872 1.00 0.00 C ATOM 379 OH TYR A 910 6.255 -9.697 -4.642 1.00 0.00 O ATOM 0 H TYR A 910 13.157 -9.119 -0.428 1.00 0.00 H new ATOM 0 HA TYR A 910 11.637 -11.205 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.650 -9.256 -0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.345 -8.183 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 910 10.452 -8.188 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 910 8.611 -10.479 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 910 8.429 -8.409 -5.333 1.00 0.00 H new ATOM 0 HE2 TYR A 910 6.589 -10.707 -2.247 1.00 0.00 H new ATOM 0 HH TYR A 910 5.587 -10.225 -4.157 1.00 0.00 H new ATOM 389 N MET A 911 13.119 -9.339 -3.742 1.00 0.00 N ATOM 390 CA MET A 911 13.467 -9.262 -5.156 1.00 0.00 C ATOM 391 C MET A 911 14.205 -10.519 -5.603 1.00 0.00 C ATOM 392 O MET A 911 13.932 -11.063 -6.672 1.00 0.00 O ATOM 393 CB MET A 911 14.330 -8.027 -5.423 1.00 0.00 C ATOM 394 CG MET A 911 13.525 -6.752 -5.612 1.00 0.00 C ATOM 395 SD MET A 911 12.709 -6.676 -7.218 1.00 0.00 S ATOM 396 CE MET A 911 10.997 -6.893 -6.740 1.00 0.00 C ATOM 0 H MET A 911 13.577 -8.641 -3.156 1.00 0.00 H new ATOM 0 HA MET A 911 12.543 -9.182 -5.729 1.00 0.00 H new ATOM 0 HB2 MET A 911 15.021 -7.890 -4.591 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.933 -8.201 -6.314 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.775 -6.681 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 911 14.185 -5.891 -5.503 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.652 -7.877 -7.058 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.908 -6.810 -5.657 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.387 -6.124 -7.214 1.00 0.00 H new ATOM 406 N ASN A 912 15.142 -10.976 -4.778 1.00 0.00 N ATOM 407 CA ASN A 912 15.920 -12.169 -5.090 1.00 0.00 C ATOM 408 C ASN A 912 15.012 -13.386 -5.242 1.00 0.00 C ATOM 409 O ASN A 912 15.029 -14.062 -6.270 1.00 0.00 O ATOM 410 CB ASN A 912 16.958 -12.427 -3.996 1.00 0.00 C ATOM 411 CG ASN A 912 18.294 -11.778 -4.303 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.071 -12.284 -5.113 1.00 0.00 O ATOM 413 ND2 ASN A 912 18.568 -10.652 -3.654 1.00 0.00 N ATOM 0 H ASN A 912 15.381 -10.538 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 912 16.434 -12.000 -6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.582 -12.048 -3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 912 17.098 -13.501 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 912 19.452 -10.171 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.894 -10.268 -2.991 1.00 0.00 H new ATOM 420 N GLY A 913 14.220 -13.659 -4.210 1.00 0.00 N ATOM 421 CA GLY A 913 13.316 -14.794 -4.248 1.00 0.00 C ATOM 422 C GLY A 913 12.360 -14.814 -3.072 1.00 0.00 C ATOM 423 O GLY A 913 11.145 -14.909 -3.250 1.00 0.00 O ATOM 0 H GLY A 913 14.188 -13.115 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.745 -14.769 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.896 -15.717 -4.256 1.00 0.00 H new ATOM 427 N THR A 914 12.908 -14.726 -1.864 1.00 0.00 N ATOM 428 CA THR A 914 12.096 -14.737 -0.654 1.00 0.00 C ATOM 429 C THR A 914 12.613 -13.727 0.365 1.00 0.00 C ATOM 430 O THR A 914 13.810 -13.442 0.419 1.00 0.00 O ATOM 431 CB THR A 914 12.072 -16.134 -0.007 1.00 0.00 C ATOM 432 OG1 THR A 914 11.274 -16.110 1.182 1.00 0.00 O ATOM 433 CG2 THR A 914 13.480 -16.600 0.331 1.00 0.00 C ATOM 0 H THR A 914 13.911 -14.646 -1.698 1.00 0.00 H new ATOM 0 HA THR A 914 11.083 -14.464 -0.951 1.00 0.00 H new ATOM 0 HB THR A 914 11.638 -16.833 -0.722 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.263 -17.003 1.586 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.436 -17.589 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.076 -16.646 -0.580 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.938 -15.899 1.029 1.00 0.00 H new ATOM 441 N CYS A 915 11.705 -13.188 1.170 1.00 0.00 N ATOM 442 CA CYS A 915 12.068 -12.210 2.188 1.00 0.00 C ATOM 443 C CYS A 915 11.666 -12.695 3.578 1.00 0.00 C ATOM 444 O CYS A 915 10.630 -13.332 3.764 1.00 0.00 O ATOM 445 CB CYS A 915 11.402 -10.864 1.893 1.00 0.00 C ATOM 446 SG CYS A 915 11.239 -9.780 3.348 1.00 0.00 S ATOM 0 H CYS A 915 10.711 -13.412 1.137 1.00 0.00 H new ATOM 0 HA CYS A 915 13.151 -12.085 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.980 -10.344 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.412 -11.045 1.475 1.00 0.00 H new ATOM 0 HG CYS A 915 12.298 -9.033 3.454 1.00 0.00 H new ATOM 451 N PRO A 916 12.506 -12.387 4.578 1.00 0.00 N ATOM 452 CA PRO A 916 12.260 -12.781 5.968 1.00 0.00 C ATOM 453 C PRO A 916 11.090 -12.024 6.586 1.00 0.00 C ATOM 454 O PRO A 916 10.261 -12.607 7.284 1.00 0.00 O ATOM 455 CB PRO A 916 13.567 -12.418 6.677 1.00 0.00 C ATOM 456 CG PRO A 916 14.158 -11.331 5.847 1.00 0.00 C ATOM 457 CD PRO A 916 13.760 -11.630 4.428 1.00 0.00 C ATOM 0 HA PRO A 916 11.993 -13.834 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.384 -12.082 7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.235 -13.277 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.786 -10.355 6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.243 -11.306 5.951 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.612 -10.717 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.522 -12.213 3.911 1.00 0.00 H new ATOM 465 N GLU A 917 11.029 -10.722 6.325 1.00 0.00 N ATOM 466 CA GLU A 917 9.960 -9.886 6.858 1.00 0.00 C ATOM 467 C GLU A 917 8.603 -10.326 6.315 1.00 0.00 C ATOM 468 O GLU A 917 7.793 -10.907 7.036 1.00 0.00 O ATOM 469 CB GLU A 917 10.208 -8.417 6.508 1.00 0.00 C ATOM 470 CG GLU A 917 11.463 -7.844 7.145 1.00 0.00 C ATOM 471 CD GLU A 917 11.436 -7.922 8.659 1.00 0.00 C ATOM 472 OE1 GLU A 917 10.447 -7.455 9.261 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.406 -8.451 9.243 1.00 0.00 O ATOM 0 H GLU A 917 11.707 -10.224 5.748 1.00 0.00 H new ATOM 0 HA GLU A 917 9.953 -9.998 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.282 -8.318 5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.348 -7.827 6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.334 -8.383 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.578 -6.804 6.840 1.00 0.00 H new ATOM 480 N GLY A 918 8.363 -10.044 5.038 1.00 0.00 N ATOM 481 CA GLY A 918 7.104 -10.417 4.420 1.00 0.00 C ATOM 482 C GLY A 918 6.203 -9.223 4.174 1.00 0.00 C ATOM 483 O GLY A 918 6.446 -8.430 3.265 1.00 0.00 O ATOM 0 H GLY A 918 9.018 -9.564 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.302 -10.920 3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.587 -11.133 5.059 1.00 0.00 H new ATOM 487 N ASN A 919 5.158 -9.096 4.985 1.00 0.00 N ATOM 488 CA ASN A 919 4.215 -7.991 4.849 1.00 0.00 C ATOM 489 C ASN A 919 4.557 -6.862 5.817 1.00 0.00 C ATOM 490 O ASN A 919 4.309 -5.691 5.533 1.00 0.00 O ATOM 491 CB ASN A 919 2.787 -8.478 5.101 1.00 0.00 C ATOM 492 CG ASN A 919 2.548 -8.846 6.552 1.00 0.00 C ATOM 493 OD1 ASN A 919 3.167 -9.771 7.079 1.00 0.00 O ATOM 494 ND2 ASN A 919 1.647 -8.122 7.206 1.00 0.00 N ATOM 0 H ASN A 919 4.943 -9.744 5.743 1.00 0.00 H new ATOM 0 HA ASN A 919 4.287 -7.608 3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.083 -7.699 4.806 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.585 -9.345 4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 919 1.444 -8.323 8.185 1.00 0.00 H new ATOM 0 HD22 ASN A 919 1.158 -7.365 6.729 1.00 0.00 H new ATOM 501 N SER A 920 5.129 -7.224 6.961 1.00 0.00 N ATOM 502 CA SER A 920 5.503 -6.242 7.973 1.00 0.00 C ATOM 503 C SER A 920 6.910 -5.711 7.720 1.00 0.00 C ATOM 504 O SER A 920 7.597 -5.275 8.645 1.00 0.00 O ATOM 505 CB SER A 920 5.422 -6.862 9.369 1.00 0.00 C ATOM 506 OG SER A 920 4.078 -7.132 9.731 1.00 0.00 O ATOM 0 H SER A 920 5.344 -8.189 7.210 1.00 0.00 H new ATOM 0 HA SER A 920 4.803 -5.409 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.001 -7.785 9.394 1.00 0.00 H new ATOM 0 HB3 SER A 920 5.869 -6.185 10.097 1.00 0.00 H new ATOM 0 HG SER A 920 4.054 -7.529 10.627 1.00 0.00 H new ATOM 512 N CYS A 921 7.334 -5.750 6.461 1.00 0.00 N ATOM 513 CA CYS A 921 8.659 -5.274 6.085 1.00 0.00 C ATOM 514 C CYS A 921 8.687 -3.750 6.004 1.00 0.00 C ATOM 515 O CYS A 921 7.649 -3.094 6.091 1.00 0.00 O ATOM 516 CB CYS A 921 9.077 -5.875 4.741 1.00 0.00 C ATOM 517 SG CYS A 921 10.880 -5.960 4.493 1.00 0.00 S ATOM 0 H CYS A 921 6.778 -6.107 5.684 1.00 0.00 H new ATOM 0 HA CYS A 921 9.364 -5.592 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.662 -6.880 4.660 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.638 -5.283 3.938 1.00 0.00 H new ATOM 0 HG CYS A 921 11.149 -5.858 3.225 1.00 0.00 H new ATOM 522 N LYS A 922 9.882 -3.194 5.837 1.00 0.00 N ATOM 523 CA LYS A 922 10.047 -1.748 5.743 1.00 0.00 C ATOM 524 C LYS A 922 10.511 -1.344 4.348 1.00 0.00 C ATOM 525 O LYS A 922 11.000 -0.232 4.143 1.00 0.00 O ATOM 526 CB LYS A 922 11.053 -1.260 6.788 1.00 0.00 C ATOM 527 CG LYS A 922 12.488 -1.649 6.479 1.00 0.00 C ATOM 528 CD LYS A 922 13.472 -0.889 7.352 1.00 0.00 C ATOM 529 CE LYS A 922 14.907 -1.311 7.074 1.00 0.00 C ATOM 530 NZ LYS A 922 15.785 -1.108 8.259 1.00 0.00 N ATOM 0 H LYS A 922 10.751 -3.723 5.764 1.00 0.00 H new ATOM 0 HA LYS A 922 9.080 -1.283 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 922 10.988 -0.175 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 922 10.777 -1.664 7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.617 -2.720 6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.702 -1.449 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.366 0.181 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.238 -1.063 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.927 -2.361 6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.297 -0.740 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.754 -1.407 8.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 15.787 -0.102 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 15.428 -1.673 9.056 1.00 0.00 H new ATOM 544 N PHE A 923 10.354 -2.252 3.390 1.00 0.00 N ATOM 545 CA PHE A 923 10.756 -1.989 2.013 1.00 0.00 C ATOM 546 C PHE A 923 9.668 -2.424 1.036 1.00 0.00 C ATOM 547 O PHE A 923 8.774 -3.193 1.388 1.00 0.00 O ATOM 548 CB PHE A 923 12.064 -2.715 1.694 1.00 0.00 C ATOM 549 CG PHE A 923 13.275 -2.062 2.296 1.00 0.00 C ATOM 550 CD1 PHE A 923 13.798 -0.902 1.747 1.00 0.00 C ATOM 551 CD2 PHE A 923 13.891 -2.607 3.411 1.00 0.00 C ATOM 552 CE1 PHE A 923 14.912 -0.298 2.298 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.005 -2.007 3.967 1.00 0.00 C ATOM 554 CZ PHE A 923 15.517 -0.852 3.409 1.00 0.00 C ATOM 0 H PHE A 923 9.951 -3.177 3.542 1.00 0.00 H new ATOM 0 HA PHE A 923 10.909 -0.915 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 923 11.998 -3.741 2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.188 -2.765 0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.329 -0.465 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 923 13.496 -3.511 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.309 0.606 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 923 15.475 -2.441 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 923 16.389 -0.383 3.841 1.00 0.00 H new ATOM 564 N ALA A 924 9.751 -1.925 -0.193 1.00 0.00 N ATOM 565 CA ALA A 924 8.775 -2.263 -1.222 1.00 0.00 C ATOM 566 C ALA A 924 8.955 -3.700 -1.699 1.00 0.00 C ATOM 567 O ALA A 924 10.077 -4.151 -1.933 1.00 0.00 O ATOM 568 CB ALA A 924 8.889 -1.298 -2.393 1.00 0.00 C ATOM 0 H ALA A 924 10.484 -1.285 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 924 7.779 -2.175 -0.787 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.155 -1.561 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.703 -0.281 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.891 -1.359 -2.818 1.00 0.00 H new ATOM 574 N HIS A 925 7.844 -4.415 -1.840 1.00 0.00 N ATOM 575 CA HIS A 925 7.879 -5.803 -2.288 1.00 0.00 C ATOM 576 C HIS A 925 7.211 -5.949 -3.652 1.00 0.00 C ATOM 577 O HIS A 925 6.105 -6.478 -3.759 1.00 0.00 O ATOM 578 CB HIS A 925 7.188 -6.708 -1.269 1.00 0.00 C ATOM 579 CG HIS A 925 8.083 -7.142 -0.149 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.781 -8.193 0.691 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.278 -6.662 0.265 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.752 -8.339 1.575 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.673 -7.422 1.338 1.00 0.00 N ATOM 0 H HIS A 925 6.908 -4.057 -1.651 1.00 0.00 H new ATOM 0 HA HIS A 925 8.923 -6.104 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.328 -6.183 -0.853 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.805 -7.591 -1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.821 -5.835 -0.168 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.787 -9.082 2.358 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.537 -7.299 1.866 1.00 0.00 H new ATOM 591 N GLY A 926 7.891 -5.478 -4.693 1.00 0.00 N ATOM 592 CA GLY A 926 7.348 -5.565 -6.036 1.00 0.00 C ATOM 593 C GLY A 926 7.230 -4.210 -6.703 1.00 0.00 C ATOM 594 O GLY A 926 6.510 -3.335 -6.223 1.00 0.00 O ATOM 0 H GLY A 926 8.809 -5.037 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 926 7.985 -6.210 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.365 -6.034 -5.997 1.00 0.00 H new ATOM 598 N ASN A 927 7.940 -4.034 -7.813 1.00 0.00 N ATOM 599 CA ASN A 927 7.913 -2.774 -8.546 1.00 0.00 C ATOM 600 C ASN A 927 6.535 -2.125 -8.463 1.00 0.00 C ATOM 601 O ASN A 927 6.397 -0.996 -7.992 1.00 0.00 O ATOM 602 CB ASN A 927 8.293 -3.004 -10.011 1.00 0.00 C ATOM 603 CG ASN A 927 9.793 -2.981 -10.229 1.00 0.00 C ATOM 604 OD1 ASN A 927 10.343 -2.006 -10.741 1.00 0.00 O ATOM 605 ND2 ASN A 927 10.464 -4.060 -9.841 1.00 0.00 N ATOM 0 H ASN A 927 8.541 -4.748 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 927 8.640 -2.102 -8.090 1.00 0.00 H new ATOM 0 HB2 ASN A 927 7.895 -3.964 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 927 7.827 -2.237 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 927 11.476 -4.103 -9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 927 9.967 -4.846 -9.421 1.00 0.00 H new ATOM 612 N ALA A 928 5.518 -2.847 -8.921 1.00 0.00 N ATOM 613 CA ALA A 928 4.151 -2.343 -8.896 1.00 0.00 C ATOM 614 C ALA A 928 3.805 -1.762 -7.529 1.00 0.00 C ATOM 615 O ALA A 928 3.334 -0.630 -7.427 1.00 0.00 O ATOM 616 CB ALA A 928 3.173 -3.449 -9.264 1.00 0.00 C ATOM 0 H ALA A 928 5.615 -3.783 -9.314 1.00 0.00 H new ATOM 0 HA ALA A 928 4.072 -1.543 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.156 -3.058 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.398 -3.816 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.263 -4.267 -8.549 1.00 0.00 H new ATOM 622 N GLU A 929 4.041 -2.546 -6.481 1.00 0.00 N ATOM 623 CA GLU A 929 3.753 -2.109 -5.121 1.00 0.00 C ATOM 624 C GLU A 929 4.420 -0.769 -4.827 1.00 0.00 C ATOM 625 O GLU A 929 3.826 0.110 -4.200 1.00 0.00 O ATOM 626 CB GLU A 929 4.225 -3.159 -4.113 1.00 0.00 C ATOM 627 CG GLU A 929 3.471 -3.120 -2.795 1.00 0.00 C ATOM 628 CD GLU A 929 2.176 -3.908 -2.840 1.00 0.00 C ATOM 629 OE1 GLU A 929 1.376 -3.680 -3.771 1.00 0.00 O ATOM 630 OE2 GLU A 929 1.963 -4.752 -1.945 1.00 0.00 O ATOM 0 H GLU A 929 4.431 -3.486 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 929 2.674 -1.986 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.116 -4.149 -4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.287 -3.012 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.107 -3.519 -2.005 1.00 0.00 H new ATOM 0 HG3 GLU A 929 3.253 -2.084 -2.536 1.00 0.00 H new ATOM 637 N LEU A 930 5.659 -0.619 -5.282 1.00 0.00 N ATOM 638 CA LEU A 930 6.410 0.613 -5.068 1.00 0.00 C ATOM 639 C LEU A 930 5.704 1.800 -5.716 1.00 0.00 C ATOM 640 O LEU A 930 5.417 2.800 -5.057 1.00 0.00 O ATOM 641 CB LEU A 930 7.825 0.477 -5.633 1.00 0.00 C ATOM 642 CG LEU A 930 8.714 1.716 -5.524 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.235 1.875 -4.104 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.868 1.633 -6.511 1.00 0.00 C ATOM 0 H LEU A 930 6.165 -1.336 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 930 6.470 0.790 -3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.321 -0.348 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.750 0.200 -6.685 1.00 0.00 H new ATOM 0 HG LEU A 930 8.115 2.593 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.866 2.762 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.395 1.981 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.818 0.996 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.490 2.523 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.467 0.748 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.475 1.568 -7.526 1.00 0.00 H new ATOM 656 N HIS A 931 5.424 1.681 -7.010 1.00 0.00 N ATOM 657 CA HIS A 931 4.748 2.744 -7.747 1.00 0.00 C ATOM 658 C HIS A 931 3.662 3.390 -6.893 1.00 0.00 C ATOM 659 O HIS A 931 3.647 4.607 -6.709 1.00 0.00 O ATOM 660 CB HIS A 931 4.139 2.192 -9.036 1.00 0.00 C ATOM 661 CG HIS A 931 5.083 1.340 -9.827 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.663 0.437 -10.781 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.434 1.258 -9.804 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.715 -0.164 -11.309 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.802 0.317 -10.733 1.00 0.00 N ATOM 0 H HIS A 931 5.654 0.860 -7.570 1.00 0.00 H new ATOM 0 HA HIS A 931 5.487 3.504 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.254 1.606 -8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.807 3.024 -9.657 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.099 1.828 -9.172 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.690 -0.920 -12.080 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.759 0.035 -10.944 1.00 0.00 H new ATOM 673 N GLU A 932 2.754 2.568 -6.376 1.00 0.00 N ATOM 674 CA GLU A 932 1.663 3.062 -5.543 1.00 0.00 C ATOM 675 C GLU A 932 2.200 3.696 -4.263 1.00 0.00 C ATOM 676 O GLU A 932 1.736 4.755 -3.842 1.00 0.00 O ATOM 677 CB GLU A 932 0.702 1.923 -5.197 1.00 0.00 C ATOM 678 CG GLU A 932 -0.329 1.647 -6.278 1.00 0.00 C ATOM 679 CD GLU A 932 0.276 1.000 -7.509 1.00 0.00 C ATOM 680 OE1 GLU A 932 0.342 -0.246 -7.552 1.00 0.00 O ATOM 681 OE2 GLU A 932 0.684 1.740 -8.429 1.00 0.00 O ATOM 0 H GLU A 932 2.752 1.558 -6.519 1.00 0.00 H new ATOM 0 HA GLU A 932 1.125 3.824 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.278 1.015 -5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.186 2.164 -4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -1.107 0.998 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.810 2.582 -6.563 1.00 0.00 H new ATOM 688 N TRP A 933 3.179 3.041 -3.651 1.00 0.00 N ATOM 689 CA TRP A 933 3.779 3.540 -2.419 1.00 0.00 C ATOM 690 C TRP A 933 4.202 4.997 -2.571 1.00 0.00 C ATOM 691 O TRP A 933 3.898 5.832 -1.720 1.00 0.00 O ATOM 692 CB TRP A 933 4.986 2.684 -2.031 1.00 0.00 C ATOM 693 CG TRP A 933 4.634 1.530 -1.142 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.406 0.948 -1.001 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.519 0.820 -0.269 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.475 -0.081 -0.093 1.00 0.00 N ATOM 697 CE2 TRP A 933 4.760 -0.180 0.370 1.00 0.00 C ATOM 698 CE3 TRP A 933 6.879 0.931 0.034 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.318 -1.061 1.293 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.430 0.056 0.951 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.651 -0.930 1.571 1.00 0.00 C ATOM 0 H TRP A 933 3.575 2.163 -3.987 1.00 0.00 H new ATOM 0 HA TRP A 933 3.030 3.478 -1.629 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.460 2.305 -2.936 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.720 3.312 -1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.512 1.252 -1.526 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.696 -0.675 0.190 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.488 1.687 -0.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.719 -1.821 1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.479 0.134 1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.112 -1.600 2.282 1.00 0.00 H new ATOM 712 N GLU A 934 4.904 5.295 -3.660 1.00 0.00 N ATOM 713 CA GLU A 934 5.368 6.652 -3.921 1.00 0.00 C ATOM 714 C GLU A 934 4.239 7.660 -3.728 1.00 0.00 C ATOM 715 O GLU A 934 4.419 8.693 -3.084 1.00 0.00 O ATOM 716 CB GLU A 934 5.926 6.760 -5.342 1.00 0.00 C ATOM 717 CG GLU A 934 7.347 6.241 -5.479 1.00 0.00 C ATOM 718 CD GLU A 934 8.387 7.319 -5.243 1.00 0.00 C ATOM 719 OE1 GLU A 934 8.798 7.501 -4.078 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.790 7.980 -6.222 1.00 0.00 O ATOM 0 H GLU A 934 5.163 4.615 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 934 6.161 6.880 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.278 6.205 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 934 5.897 7.803 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.503 5.429 -4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.483 5.823 -6.476 1.00 0.00 H new ATOM 727 N GLU A 935 3.076 7.352 -4.293 1.00 0.00 N ATOM 728 CA GLU A 935 1.918 8.231 -4.184 1.00 0.00 C ATOM 729 C GLU A 935 1.345 8.205 -2.770 1.00 0.00 C ATOM 730 O GLU A 935 0.982 9.243 -2.216 1.00 0.00 O ATOM 731 CB GLU A 935 0.841 7.820 -5.190 1.00 0.00 C ATOM 732 CG GLU A 935 1.261 8.000 -6.639 1.00 0.00 C ATOM 733 CD GLU A 935 1.642 9.431 -6.963 1.00 0.00 C ATOM 734 OE1 GLU A 935 1.156 10.347 -6.266 1.00 0.00 O ATOM 735 OE2 GLU A 935 2.427 9.636 -7.912 1.00 0.00 O ATOM 0 H GLU A 935 2.911 6.501 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 935 2.244 9.247 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.580 6.775 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.059 8.407 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.106 7.346 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.445 7.689 -7.291 1.00 0.00 H new ATOM 742 N ARG A 936 1.266 7.010 -2.192 1.00 0.00 N ATOM 743 CA ARG A 936 0.736 6.847 -0.844 1.00 0.00 C ATOM 744 C ARG A 936 1.448 7.776 0.136 1.00 0.00 C ATOM 745 O ARG A 936 0.836 8.681 0.704 1.00 0.00 O ATOM 746 CB ARG A 936 0.885 5.395 -0.386 1.00 0.00 C ATOM 747 CG ARG A 936 -0.185 4.469 -0.941 1.00 0.00 C ATOM 748 CD ARG A 936 -0.072 3.072 -0.352 1.00 0.00 C ATOM 749 NE ARG A 936 -1.371 2.409 -0.264 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.065 2.009 -1.323 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.588 2.203 -2.545 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.240 1.413 -1.161 1.00 0.00 N ATOM 0 H ARG A 936 1.562 6.141 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.322 7.108 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.865 5.026 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.854 5.361 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.171 4.879 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 936 -0.095 4.416 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.600 2.473 -0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.373 3.132 0.641 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.766 2.244 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.686 2.661 -2.673 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.124 1.895 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.610 1.262 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.773 1.106 -1.975 1.00 0.00 H new ATOM 766 N ARG A 937 2.742 7.544 0.329 1.00 0.00 N ATOM 767 CA ARG A 937 3.536 8.359 1.241 1.00 0.00 C ATOM 768 C ARG A 937 3.410 9.840 0.898 1.00 0.00 C ATOM 769 O ARG A 937 3.184 10.674 1.774 1.00 0.00 O ATOM 770 CB ARG A 937 5.005 7.935 1.189 1.00 0.00 C ATOM 771 CG ARG A 937 5.745 8.139 2.502 1.00 0.00 C ATOM 772 CD ARG A 937 6.006 9.613 2.770 1.00 0.00 C ATOM 773 NE ARG A 937 7.110 9.812 3.705 1.00 0.00 N ATOM 774 CZ ARG A 937 8.375 9.523 3.421 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.694 9.025 2.235 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.324 9.732 4.325 1.00 0.00 N ATOM 0 H ARG A 937 3.263 6.799 -0.134 1.00 0.00 H new ATOM 0 HA ARG A 937 3.156 8.205 2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.061 6.883 0.910 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.510 8.500 0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.161 7.717 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 937 6.692 7.600 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 937 6.231 10.118 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 937 5.103 10.074 3.171 1.00 0.00 H new ATOM 0 HE ARG A 937 6.898 10.194 4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 937 7.967 8.863 1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 937 9.666 8.804 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.082 10.115 5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 937 10.295 9.510 4.106 1.00 0.00 H new ATOM 790 N ASP A 938 3.559 10.159 -0.383 1.00 0.00 N ATOM 791 CA ASP A 938 3.462 11.540 -0.843 1.00 0.00 C ATOM 792 C ASP A 938 2.201 12.206 -0.301 1.00 0.00 C ATOM 793 O ASP A 938 2.225 13.369 0.099 1.00 0.00 O ATOM 794 CB ASP A 938 3.463 11.592 -2.372 1.00 0.00 C ATOM 795 CG ASP A 938 3.878 12.949 -2.905 1.00 0.00 C ATOM 796 OD1 ASP A 938 3.114 13.918 -2.717 1.00 0.00 O ATOM 797 OD2 ASP A 938 4.967 13.041 -3.511 1.00 0.00 O ATOM 0 H ASP A 938 3.747 9.481 -1.121 1.00 0.00 H new ATOM 0 HA ASP A 938 4.329 12.084 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.141 10.831 -2.758 1.00 0.00 H new ATOM 0 HB3 ASP A 938 2.467 11.349 -2.742 1.00 0.00 H new