USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=13 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 136:sc= -1.58 USER MOD Set 1.2: A 915 CYS SG : rot 110:sc= -1.96 USER MOD Set 1.3: A 921 CYS SG : rot 132:sc= -1.95 USER MOD Set 1.4: A 925 HIS : no HD1:sc= -1.18 X(o=-6.7,f=-7) USER MOD Single : A 897 HIS : no HE2:sc= 0.449 K(o=0.45,f=-2.3!) USER MOD Single : A 901 THR OG1 : rot 170:sc= 0 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 17:sc= 0.188 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl -169:sc= -1.89! (180deg=-1.96!) USER MOD Single : A 912 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.23) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 919 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.23) USER MOD Single : A 920 SER OG : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -118:sc= 1.94 (180deg=0.395) USER MOD Single : A 927 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.29) USER MOD Single : A 931 HIS :FLIP no HD1:sc= -2.62! C(o=-3.3!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.410 -1.032 -1.720 1.00 0.00 N ATOM 156 CA HIS A 897 -1.503 -2.035 -1.174 1.00 0.00 C ATOM 157 C HIS A 897 -0.826 -1.524 0.094 1.00 0.00 C ATOM 158 O HIS A 897 -0.959 -0.353 0.451 1.00 0.00 O ATOM 159 CB HIS A 897 -0.446 -2.416 -2.212 1.00 0.00 C ATOM 160 CG HIS A 897 -0.977 -3.269 -3.322 1.00 0.00 C ATOM 161 ND1 HIS A 897 -1.333 -2.764 -4.555 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.211 -4.601 -3.381 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.764 -3.748 -5.324 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.700 -4.874 -4.635 1.00 0.00 N ATOM 0 HA HIS A 897 -2.089 -2.919 -0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.020 -1.506 -2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.366 -2.946 -1.714 1.00 0.00 H new ATOM 0 HD1 HIS A 897 -1.273 -1.784 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -1.044 -5.316 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -2.110 -3.649 -6.342 1.00 0.00 H new ATOM 172 N ARG A 898 -0.102 -2.409 0.771 1.00 0.00 N ATOM 173 CA ARG A 898 0.593 -2.048 2.000 1.00 0.00 C ATOM 174 C ARG A 898 1.109 -0.614 1.931 1.00 0.00 C ATOM 175 O ARG A 898 1.389 -0.095 0.850 1.00 0.00 O ATOM 176 CB ARG A 898 1.757 -3.008 2.255 1.00 0.00 C ATOM 177 CG ARG A 898 1.331 -4.330 2.874 1.00 0.00 C ATOM 178 CD ARG A 898 2.251 -5.465 2.450 1.00 0.00 C ATOM 179 NE ARG A 898 1.627 -6.772 2.635 1.00 0.00 N ATOM 180 CZ ARG A 898 2.289 -7.921 2.553 1.00 0.00 C ATOM 181 NH1 ARG A 898 3.589 -7.923 2.292 1.00 0.00 N ATOM 182 NH2 ARG A 898 1.651 -9.070 2.733 1.00 0.00 N ATOM 0 H ARG A 898 0.018 -3.382 0.489 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.117 -2.122 2.824 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.267 -3.205 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.479 -2.524 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 898 1.336 -4.243 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 898 0.308 -4.559 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 898 2.524 -5.338 1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 898 3.174 -5.419 3.028 1.00 0.00 H new ATOM 0 HE ARG A 898 0.628 -6.805 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 898 4.083 -7.041 2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 898 4.095 -8.806 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 898 0.651 -9.072 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 898 2.160 -9.951 2.670 1.00 0.00 H new ATOM 196 N PHE A 899 1.232 0.022 3.092 1.00 0.00 N ATOM 197 CA PHE A 899 1.713 1.397 3.164 1.00 0.00 C ATOM 198 C PHE A 899 3.227 1.434 3.353 1.00 0.00 C ATOM 199 O PHE A 899 3.803 0.648 4.105 1.00 0.00 O ATOM 200 CB PHE A 899 1.026 2.141 4.310 1.00 0.00 C ATOM 201 CG PHE A 899 1.234 3.628 4.271 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.452 4.180 4.633 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.212 4.473 3.871 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.647 5.548 4.597 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.401 5.842 3.833 1.00 0.00 C ATOM 206 CZ PHE A 899 1.620 6.380 4.198 1.00 0.00 C ATOM 0 H PHE A 899 1.005 -0.393 3.996 1.00 0.00 H new ATOM 0 HA PHE A 899 1.470 1.890 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 899 -0.043 1.931 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.399 1.755 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.259 3.534 4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.743 4.058 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.602 5.966 4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.403 6.490 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.769 7.449 4.171 1.00 0.00 H new ATOM 216 N PRO A 900 3.887 2.370 2.654 1.00 0.00 N ATOM 217 CA PRO A 900 5.342 2.534 2.728 1.00 0.00 C ATOM 218 C PRO A 900 5.796 3.081 4.077 1.00 0.00 C ATOM 219 O PRO A 900 5.640 4.268 4.362 1.00 0.00 O ATOM 220 CB PRO A 900 5.642 3.540 1.614 1.00 0.00 C ATOM 221 CG PRO A 900 4.377 4.308 1.446 1.00 0.00 C ATOM 222 CD PRO A 900 3.263 3.341 1.739 1.00 0.00 C ATOM 0 HA PRO A 900 5.866 1.585 2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.470 4.195 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.924 3.035 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.344 5.159 2.126 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.293 4.705 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.410 3.838 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.898 2.861 0.831 1.00 0.00 H new ATOM 230 N THR A 901 6.360 2.207 4.905 1.00 0.00 N ATOM 231 CA THR A 901 6.836 2.602 6.224 1.00 0.00 C ATOM 232 C THR A 901 7.524 3.962 6.176 1.00 0.00 C ATOM 233 O THR A 901 7.558 4.687 7.169 1.00 0.00 O ATOM 234 CB THR A 901 7.817 1.564 6.802 1.00 0.00 C ATOM 235 OG1 THR A 901 8.956 1.436 5.944 1.00 0.00 O ATOM 236 CG2 THR A 901 7.141 0.211 6.961 1.00 0.00 C ATOM 0 H THR A 901 6.498 1.221 4.685 1.00 0.00 H new ATOM 0 HA THR A 901 5.960 2.663 6.870 1.00 0.00 H new ATOM 0 HB THR A 901 8.140 1.909 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.645 0.902 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.853 -0.506 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.292 0.306 7.638 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.793 -0.138 5.989 1.00 0.00 H new ATOM 244 N GLY A 902 8.071 4.303 5.013 1.00 0.00 N ATOM 245 CA GLY A 902 8.750 5.576 4.857 1.00 0.00 C ATOM 246 C GLY A 902 9.958 5.481 3.946 1.00 0.00 C ATOM 247 O GLY A 902 10.580 6.492 3.621 1.00 0.00 O ATOM 0 H GLY A 902 8.056 3.720 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.052 6.310 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.064 5.939 5.836 1.00 0.00 H new ATOM 251 N TYR A 903 10.292 4.263 3.534 1.00 0.00 N ATOM 252 CA TYR A 903 11.436 4.039 2.658 1.00 0.00 C ATOM 253 C TYR A 903 11.004 4.002 1.196 1.00 0.00 C ATOM 254 O TYR A 903 9.879 3.615 0.878 1.00 0.00 O ATOM 255 CB TYR A 903 12.139 2.732 3.027 1.00 0.00 C ATOM 256 CG TYR A 903 12.856 2.784 4.357 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.146 2.871 5.549 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.243 2.745 4.423 1.00 0.00 C ATOM 259 CE1 TYR A 903 12.797 2.920 6.766 1.00 0.00 C ATOM 260 CE2 TYR A 903 14.903 2.792 5.636 1.00 0.00 C ATOM 261 CZ TYR A 903 14.175 2.880 6.805 1.00 0.00 C ATOM 262 OH TYR A 903 14.828 2.927 8.015 1.00 0.00 O ATOM 0 H TYR A 903 9.787 3.416 3.793 1.00 0.00 H new ATOM 0 HA TYR A 903 12.131 4.868 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.403 1.928 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.857 2.483 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.067 2.901 5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.816 2.677 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.230 2.989 7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 903 15.982 2.760 5.669 1.00 0.00 H new ATOM 0 HH TYR A 903 15.796 2.888 7.866 1.00 0.00 H new ATOM 272 N PHE A 904 11.906 4.408 0.309 1.00 0.00 N ATOM 273 CA PHE A 904 11.620 4.423 -1.121 1.00 0.00 C ATOM 274 C PHE A 904 12.583 3.512 -1.878 1.00 0.00 C ATOM 275 O PHE A 904 13.286 3.952 -2.787 1.00 0.00 O ATOM 276 CB PHE A 904 11.714 5.849 -1.667 1.00 0.00 C ATOM 277 CG PHE A 904 11.631 5.924 -3.165 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.605 5.291 -3.848 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.579 6.627 -3.890 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.525 5.358 -5.226 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.504 6.699 -5.269 1.00 0.00 C ATOM 282 CZ PHE A 904 11.476 6.062 -5.937 1.00 0.00 C ATOM 0 H PHE A 904 12.842 4.731 0.555 1.00 0.00 H new ATOM 0 HA PHE A 904 10.606 4.052 -1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.912 6.448 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.654 6.293 -1.340 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.859 4.738 -3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.386 7.125 -3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.720 4.860 -5.746 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.248 7.252 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.417 6.115 -7.014 1.00 0.00 H new ATOM 292 N SER A 905 12.609 2.239 -1.494 1.00 0.00 N ATOM 293 CA SER A 905 13.488 1.267 -2.132 1.00 0.00 C ATOM 294 C SER A 905 12.853 -0.121 -2.133 1.00 0.00 C ATOM 295 O SER A 905 11.959 -0.406 -1.335 1.00 0.00 O ATOM 296 CB SER A 905 14.839 1.222 -1.417 1.00 0.00 C ATOM 297 OG SER A 905 15.672 2.290 -1.832 1.00 0.00 O ATOM 0 H SER A 905 12.032 1.858 -0.745 1.00 0.00 H new ATOM 0 HA SER A 905 13.643 1.578 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.685 1.274 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 905 15.331 0.272 -1.623 1.00 0.00 H new ATOM 0 HG SER A 905 15.130 2.973 -2.278 1.00 0.00 H new ATOM 303 N ILE A 906 13.322 -0.979 -3.033 1.00 0.00 N ATOM 304 CA ILE A 906 12.802 -2.336 -3.136 1.00 0.00 C ATOM 305 C ILE A 906 13.610 -3.302 -2.277 1.00 0.00 C ATOM 306 O ILE A 906 14.826 -3.162 -2.143 1.00 0.00 O ATOM 307 CB ILE A 906 12.812 -2.833 -4.594 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.680 -2.176 -5.387 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.686 -4.348 -4.638 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.335 -2.836 -5.181 1.00 0.00 C ATOM 0 H ILE A 906 14.061 -0.758 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 906 11.773 -2.307 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 906 13.761 -2.553 -5.051 1.00 0.00 H new ATOM 0 HG12 ILE A 906 11.608 -1.127 -5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.929 -2.201 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.695 -4.684 -5.675 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.523 -4.798 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.750 -4.649 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 906 9.581 -2.318 -5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.389 -3.879 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.064 -2.788 -4.126 1.00 0.00 H new ATOM 322 N CYS A 907 12.927 -4.283 -1.697 1.00 0.00 N ATOM 323 CA CYS A 907 13.581 -5.275 -0.851 1.00 0.00 C ATOM 324 C CYS A 907 14.346 -6.290 -1.695 1.00 0.00 C ATOM 325 O CYS A 907 13.759 -7.008 -2.505 1.00 0.00 O ATOM 326 CB CYS A 907 12.548 -5.993 0.020 1.00 0.00 C ATOM 327 SG CYS A 907 13.274 -7.028 1.332 1.00 0.00 S ATOM 0 H CYS A 907 11.920 -4.413 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 907 14.291 -4.756 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.895 -5.250 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.923 -6.618 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 907 12.631 -6.833 2.445 1.00 0.00 H new ATOM 332 N ASP A 908 15.659 -6.345 -1.498 1.00 0.00 N ATOM 333 CA ASP A 908 16.504 -7.274 -2.240 1.00 0.00 C ATOM 334 C ASP A 908 16.076 -8.717 -1.990 1.00 0.00 C ATOM 335 O ASP A 908 16.123 -9.553 -2.892 1.00 0.00 O ATOM 336 CB ASP A 908 17.970 -7.088 -1.844 1.00 0.00 C ATOM 337 CG ASP A 908 18.666 -6.033 -2.681 1.00 0.00 C ATOM 338 OD1 ASP A 908 17.975 -5.121 -3.181 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.903 -6.119 -2.837 1.00 0.00 O ATOM 0 H ASP A 908 16.161 -5.758 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 908 16.392 -7.060 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.027 -6.809 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.495 -8.037 -1.950 1.00 0.00 H new ATOM 344 N ARG A 909 15.660 -9.001 -0.761 1.00 0.00 N ATOM 345 CA ARG A 909 15.225 -10.343 -0.392 1.00 0.00 C ATOM 346 C ARG A 909 13.957 -10.730 -1.147 1.00 0.00 C ATOM 347 O ARG A 909 13.848 -11.840 -1.669 1.00 0.00 O ATOM 348 CB ARG A 909 14.980 -10.426 1.116 1.00 0.00 C ATOM 349 CG ARG A 909 16.205 -10.091 1.951 1.00 0.00 C ATOM 350 CD ARG A 909 16.244 -8.615 2.316 1.00 0.00 C ATOM 351 NE ARG A 909 17.039 -8.368 3.515 1.00 0.00 N ATOM 352 CZ ARG A 909 17.093 -7.193 4.132 1.00 0.00 C ATOM 353 NH1 ARG A 909 16.402 -6.163 3.665 1.00 0.00 N ATOM 354 NH2 ARG A 909 17.840 -7.047 5.219 1.00 0.00 N ATOM 0 H ARG A 909 15.615 -8.320 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 909 16.016 -11.042 -0.663 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.172 -9.745 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.644 -11.432 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.202 -10.692 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.107 -10.354 1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.658 -8.047 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.228 -8.254 2.474 1.00 0.00 H new ATOM 0 HE ARG A 909 17.583 -9.140 3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 909 15.827 -6.271 2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 909 16.445 -5.262 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 909 18.373 -7.837 5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 909 17.881 -6.144 5.692 1.00 0.00 H new ATOM 368 N TYR A 910 13.001 -9.809 -1.199 1.00 0.00 N ATOM 369 CA TYR A 910 11.739 -10.055 -1.887 1.00 0.00 C ATOM 370 C TYR A 910 11.957 -10.198 -3.390 1.00 0.00 C ATOM 371 O TYR A 910 11.431 -11.115 -4.020 1.00 0.00 O ATOM 372 CB TYR A 910 10.753 -8.919 -1.609 1.00 0.00 C ATOM 373 CG TYR A 910 9.459 -9.039 -2.381 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.408 -9.810 -1.899 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.287 -8.382 -3.593 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.224 -9.922 -2.601 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.106 -8.488 -4.302 1.00 0.00 C ATOM 378 CZ TYR A 910 7.077 -9.259 -3.802 1.00 0.00 C ATOM 379 OH TYR A 910 5.900 -9.368 -4.505 1.00 0.00 O ATOM 0 H TYR A 910 13.076 -8.885 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 910 11.324 -10.989 -1.508 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.529 -8.896 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.227 -7.969 -1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.519 -10.331 -0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.090 -7.778 -3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.417 -10.525 -2.212 1.00 0.00 H new ATOM 0 HE2 TYR A 910 7.989 -7.970 -5.242 1.00 0.00 H new ATOM 0 HH TYR A 910 5.960 -8.839 -5.328 1.00 0.00 H new ATOM 389 N MET A 911 12.737 -9.284 -3.958 1.00 0.00 N ATOM 390 CA MET A 911 13.027 -9.308 -5.387 1.00 0.00 C ATOM 391 C MET A 911 13.708 -10.615 -5.781 1.00 0.00 C ATOM 392 O MET A 911 13.353 -11.232 -6.784 1.00 0.00 O ATOM 393 CB MET A 911 13.914 -8.122 -5.769 1.00 0.00 C ATOM 394 CG MET A 911 13.131 -6.865 -6.116 1.00 0.00 C ATOM 395 SD MET A 911 12.188 -7.034 -7.643 1.00 0.00 S ATOM 396 CE MET A 911 10.513 -6.889 -7.025 1.00 0.00 C ATOM 0 H MET A 911 13.179 -8.518 -3.451 1.00 0.00 H new ATOM 0 HA MET A 911 12.082 -9.234 -5.926 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.590 -7.903 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.533 -8.401 -6.621 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.451 -6.628 -5.298 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.821 -6.026 -6.210 1.00 0.00 H new ATOM 0 HE1 MET A 911 9.810 -7.166 -7.811 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.382 -7.553 -6.170 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.326 -5.860 -6.717 1.00 0.00 H new ATOM 406 N ASN A 912 14.689 -11.030 -4.985 1.00 0.00 N ATOM 407 CA ASN A 912 15.420 -12.263 -5.253 1.00 0.00 C ATOM 408 C ASN A 912 14.463 -13.443 -5.392 1.00 0.00 C ATOM 409 O ASN A 912 14.640 -14.300 -6.257 1.00 0.00 O ATOM 410 CB ASN A 912 16.426 -12.536 -4.133 1.00 0.00 C ATOM 411 CG ASN A 912 17.780 -11.910 -4.406 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.806 -12.591 -4.389 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.788 -10.607 -4.659 1.00 0.00 N ATOM 0 H ASN A 912 14.995 -10.531 -4.150 1.00 0.00 H new ATOM 0 HA ASN A 912 15.957 -12.142 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.033 -12.149 -3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.545 -13.612 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.669 -10.130 -4.850 1.00 0.00 H new ATOM 0 HD22 ASN A 912 16.913 -10.083 -4.663 1.00 0.00 H new ATOM 420 N GLY A 913 13.449 -13.481 -4.533 1.00 0.00 N ATOM 421 CA GLY A 913 12.479 -14.559 -4.577 1.00 0.00 C ATOM 422 C GLY A 913 11.599 -14.599 -3.344 1.00 0.00 C ATOM 423 O GLY A 913 10.372 -14.566 -3.445 1.00 0.00 O ATOM 0 H GLY A 913 13.282 -12.784 -3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 913 11.853 -14.445 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.002 -15.510 -4.677 1.00 0.00 H new ATOM 427 N THR A 914 12.226 -14.670 -2.173 1.00 0.00 N ATOM 428 CA THR A 914 11.492 -14.717 -0.915 1.00 0.00 C ATOM 429 C THR A 914 12.125 -13.799 0.125 1.00 0.00 C ATOM 430 O THR A 914 13.347 -13.757 0.270 1.00 0.00 O ATOM 431 CB THR A 914 11.435 -16.150 -0.351 1.00 0.00 C ATOM 432 OG1 THR A 914 10.684 -16.167 0.868 1.00 0.00 O ATOM 433 CG2 THR A 914 12.835 -16.688 -0.097 1.00 0.00 C ATOM 0 H THR A 914 13.241 -14.696 -2.071 1.00 0.00 H new ATOM 0 HA THR A 914 10.478 -14.377 -1.127 1.00 0.00 H new ATOM 0 HB THR A 914 10.946 -16.787 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 914 10.651 -17.081 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 914 12.769 -17.701 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.395 -16.701 -1.032 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.346 -16.048 0.623 1.00 0.00 H new ATOM 441 N CYS A 915 11.285 -13.065 0.848 1.00 0.00 N ATOM 442 CA CYS A 915 11.762 -12.147 1.875 1.00 0.00 C ATOM 443 C CYS A 915 11.434 -12.674 3.269 1.00 0.00 C ATOM 444 O CYS A 915 10.383 -13.270 3.504 1.00 0.00 O ATOM 445 CB CYS A 915 11.138 -10.763 1.681 1.00 0.00 C ATOM 446 SG CYS A 915 11.130 -9.734 3.184 1.00 0.00 S ATOM 0 H CYS A 915 10.271 -13.088 0.741 1.00 0.00 H new ATOM 0 HA CYS A 915 12.845 -12.066 1.781 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.683 -10.237 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.113 -10.884 1.331 1.00 0.00 H new ATOM 0 HG CYS A 915 11.974 -8.755 3.044 1.00 0.00 H new ATOM 451 N PRO A 916 12.355 -12.449 4.218 1.00 0.00 N ATOM 452 CA PRO A 916 12.187 -12.892 5.605 1.00 0.00 C ATOM 453 C PRO A 916 11.102 -12.109 6.336 1.00 0.00 C ATOM 454 O PRO A 916 10.280 -12.686 7.047 1.00 0.00 O ATOM 455 CB PRO A 916 13.557 -12.620 6.233 1.00 0.00 C ATOM 456 CG PRO A 916 14.142 -11.527 5.407 1.00 0.00 C ATOM 457 CD PRO A 916 13.632 -11.745 4.009 1.00 0.00 C ATOM 0 HA PRO A 916 11.875 -13.935 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.462 -12.320 7.277 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.185 -13.511 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.841 -10.549 5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.231 -11.558 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.489 -10.802 3.482 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.327 -12.340 3.416 1.00 0.00 H new ATOM 465 N GLU A 917 11.105 -10.792 6.155 1.00 0.00 N ATOM 466 CA GLU A 917 10.120 -9.931 6.799 1.00 0.00 C ATOM 467 C GLU A 917 8.704 -10.320 6.384 1.00 0.00 C ATOM 468 O GLU A 917 7.952 -10.898 7.169 1.00 0.00 O ATOM 469 CB GLU A 917 10.382 -8.465 6.445 1.00 0.00 C ATOM 470 CG GLU A 917 11.759 -7.976 6.859 1.00 0.00 C ATOM 471 CD GLU A 917 12.140 -8.422 8.258 1.00 0.00 C ATOM 472 OE1 GLU A 917 12.408 -9.627 8.443 1.00 0.00 O ATOM 473 OE2 GLU A 917 12.169 -7.566 9.166 1.00 0.00 O ATOM 0 H GLU A 917 11.778 -10.299 5.568 1.00 0.00 H new ATOM 0 HA GLU A 917 10.213 -10.059 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.267 -8.334 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.626 -7.843 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.500 -8.345 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.784 -6.887 6.809 1.00 0.00 H new ATOM 480 N GLY A 918 8.346 -9.998 5.145 1.00 0.00 N ATOM 481 CA GLY A 918 7.022 -10.321 4.647 1.00 0.00 C ATOM 482 C GLY A 918 6.142 -9.095 4.504 1.00 0.00 C ATOM 483 O GLY A 918 6.286 -8.327 3.554 1.00 0.00 O ATOM 0 H GLY A 918 8.950 -9.519 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.112 -10.815 3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.545 -11.030 5.324 1.00 0.00 H new ATOM 487 N ASN A 919 5.226 -8.912 5.449 1.00 0.00 N ATOM 488 CA ASN A 919 4.317 -7.771 5.423 1.00 0.00 C ATOM 489 C ASN A 919 4.797 -6.671 6.364 1.00 0.00 C ATOM 490 O ASN A 919 4.576 -5.486 6.115 1.00 0.00 O ATOM 491 CB ASN A 919 2.904 -8.210 5.811 1.00 0.00 C ATOM 492 CG ASN A 919 2.779 -8.514 7.291 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.423 -7.645 8.087 1.00 0.00 O ATOM 494 ND2 ASN A 919 3.073 -9.753 7.667 1.00 0.00 N ATOM 0 H ASN A 919 5.093 -9.539 6.243 1.00 0.00 H new ATOM 0 HA ASN A 919 4.301 -7.374 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 919 2.196 -7.425 5.543 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.631 -9.095 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 919 3.008 -10.017 8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 919 3.364 -10.441 6.973 1.00 0.00 H new ATOM 501 N SER A 920 5.455 -7.072 7.448 1.00 0.00 N ATOM 502 CA SER A 920 5.964 -6.121 8.429 1.00 0.00 C ATOM 503 C SER A 920 7.362 -5.644 8.048 1.00 0.00 C ATOM 504 O SER A 920 8.145 -5.232 8.905 1.00 0.00 O ATOM 505 CB SER A 920 5.990 -6.757 9.820 1.00 0.00 C ATOM 506 OG SER A 920 4.720 -6.674 10.443 1.00 0.00 O ATOM 0 H SER A 920 5.648 -8.049 7.669 1.00 0.00 H new ATOM 0 HA SER A 920 5.297 -5.259 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 920 6.292 -7.801 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.735 -6.256 10.438 1.00 0.00 H new ATOM 0 HG SER A 920 4.763 -7.089 11.330 1.00 0.00 H new ATOM 512 N CYS A 921 7.669 -5.702 6.757 1.00 0.00 N ATOM 513 CA CYS A 921 8.972 -5.277 6.260 1.00 0.00 C ATOM 514 C CYS A 921 9.076 -3.755 6.239 1.00 0.00 C ATOM 515 O CYS A 921 8.096 -3.051 6.482 1.00 0.00 O ATOM 516 CB CYS A 921 9.214 -5.836 4.857 1.00 0.00 C ATOM 517 SG CYS A 921 10.972 -5.955 4.396 1.00 0.00 S ATOM 0 H CYS A 921 7.032 -6.040 6.035 1.00 0.00 H new ATOM 0 HA CYS A 921 9.735 -5.666 6.934 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.764 -6.827 4.790 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.702 -5.203 4.132 1.00 0.00 H new ATOM 0 HG CYS A 921 11.213 -7.134 3.905 1.00 0.00 H new ATOM 522 N LYS A 922 10.271 -3.253 5.945 1.00 0.00 N ATOM 523 CA LYS A 922 10.505 -1.815 5.890 1.00 0.00 C ATOM 524 C LYS A 922 10.888 -1.380 4.479 1.00 0.00 C ATOM 525 O LYS A 922 11.236 -0.222 4.248 1.00 0.00 O ATOM 526 CB LYS A 922 11.607 -1.418 6.874 1.00 0.00 C ATOM 527 CG LYS A 922 12.903 -2.185 6.677 1.00 0.00 C ATOM 528 CD LYS A 922 13.838 -1.465 5.720 1.00 0.00 C ATOM 529 CE LYS A 922 14.706 -0.450 6.448 1.00 0.00 C ATOM 530 NZ LYS A 922 16.041 -0.301 5.806 1.00 0.00 N ATOM 0 H LYS A 922 11.093 -3.822 5.741 1.00 0.00 H new ATOM 0 HA LYS A 922 9.580 -1.311 6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.807 -0.351 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.250 -1.580 7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 922 13.398 -2.318 7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.683 -3.180 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.473 -2.192 5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.254 -0.961 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.201 0.516 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 922 14.834 -0.759 7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.783 -0.584 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 16.090 -0.906 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 16.184 0.691 5.529 1.00 0.00 H new ATOM 544 N PHE A 923 10.820 -2.316 3.537 1.00 0.00 N ATOM 545 CA PHE A 923 11.159 -2.029 2.148 1.00 0.00 C ATOM 546 C PHE A 923 9.973 -2.309 1.230 1.00 0.00 C ATOM 547 O PHE A 923 8.949 -2.836 1.663 1.00 0.00 O ATOM 548 CB PHE A 923 12.364 -2.865 1.712 1.00 0.00 C ATOM 549 CG PHE A 923 13.682 -2.281 2.134 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.045 -1.001 1.745 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.560 -3.012 2.919 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.257 -0.461 2.132 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.773 -2.476 3.309 1.00 0.00 C ATOM 554 CZ PHE A 923 16.122 -1.200 2.914 1.00 0.00 C ATOM 0 H PHE A 923 10.533 -3.279 3.711 1.00 0.00 H new ATOM 0 HA PHE A 923 11.413 -0.972 2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.270 -3.868 2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.352 -2.968 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.373 -0.419 1.132 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.293 -4.011 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.527 0.538 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.447 -3.055 3.922 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.070 -0.781 3.216 1.00 0.00 H new ATOM 564 N ALA A 924 10.120 -1.951 -0.042 1.00 0.00 N ATOM 565 CA ALA A 924 9.063 -2.164 -1.022 1.00 0.00 C ATOM 566 C ALA A 924 9.135 -3.570 -1.610 1.00 0.00 C ATOM 567 O ALA A 924 10.195 -4.016 -2.049 1.00 0.00 O ATOM 568 CB ALA A 924 9.151 -1.123 -2.128 1.00 0.00 C ATOM 0 H ALA A 924 10.961 -1.512 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 924 8.104 -2.059 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.355 -1.294 -2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 924 9.043 -0.127 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.118 -1.201 -2.625 1.00 0.00 H new ATOM 574 N HIS A 925 8.000 -4.263 -1.614 1.00 0.00 N ATOM 575 CA HIS A 925 7.935 -5.619 -2.148 1.00 0.00 C ATOM 576 C HIS A 925 7.294 -5.627 -3.533 1.00 0.00 C ATOM 577 O HIS A 925 6.071 -5.592 -3.662 1.00 0.00 O ATOM 578 CB HIS A 925 7.146 -6.525 -1.202 1.00 0.00 C ATOM 579 CG HIS A 925 7.933 -6.977 -0.011 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.518 -7.993 0.824 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.117 -6.546 0.483 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.411 -8.167 1.781 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.392 -7.302 1.597 1.00 0.00 N ATOM 0 H HIS A 925 7.114 -3.908 -1.254 1.00 0.00 H new ATOM 0 HA HIS A 925 8.953 -5.998 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.258 -5.994 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.802 -7.400 -1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.731 -5.756 0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.350 -8.893 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.219 -7.210 2.186 1.00 0.00 H new ATOM 591 N GLY A 926 8.129 -5.673 -4.566 1.00 0.00 N ATOM 592 CA GLY A 926 7.625 -5.684 -5.927 1.00 0.00 C ATOM 593 C GLY A 926 7.685 -4.317 -6.579 1.00 0.00 C ATOM 594 O GLY A 926 7.205 -3.333 -6.017 1.00 0.00 O ATOM 0 H GLY A 926 9.145 -5.703 -4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.205 -6.392 -6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.594 -6.038 -5.926 1.00 0.00 H new ATOM 598 N ASN A 927 8.278 -4.254 -7.767 1.00 0.00 N ATOM 599 CA ASN A 927 8.400 -2.996 -8.494 1.00 0.00 C ATOM 600 C ASN A 927 7.059 -2.272 -8.560 1.00 0.00 C ATOM 601 O ASN A 927 6.993 -1.052 -8.417 1.00 0.00 O ATOM 602 CB ASN A 927 8.925 -3.251 -9.909 1.00 0.00 C ATOM 603 CG ASN A 927 10.153 -4.141 -9.919 1.00 0.00 C ATOM 604 OD1 ASN A 927 10.054 -5.352 -10.118 1.00 0.00 O ATOM 605 ND2 ASN A 927 11.319 -3.543 -9.704 1.00 0.00 N ATOM 0 H ASN A 927 8.681 -5.059 -8.246 1.00 0.00 H new ATOM 0 HA ASN A 927 9.107 -2.363 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.140 -3.713 -10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.166 -2.299 -10.381 1.00 0.00 H new ATOM 0 HD21 ASN A 927 12.180 -4.090 -9.699 1.00 0.00 H new ATOM 0 HD22 ASN A 927 11.354 -2.536 -9.544 1.00 0.00 H new ATOM 612 N ALA A 928 5.992 -3.034 -8.776 1.00 0.00 N ATOM 613 CA ALA A 928 4.652 -2.467 -8.858 1.00 0.00 C ATOM 614 C ALA A 928 4.238 -1.843 -7.529 1.00 0.00 C ATOM 615 O ALA A 928 3.783 -0.700 -7.485 1.00 0.00 O ATOM 616 CB ALA A 928 3.651 -3.533 -9.277 1.00 0.00 C ATOM 0 H ALA A 928 6.030 -4.046 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 928 4.664 -1.680 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.655 -3.094 -9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.929 -3.930 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.651 -4.340 -8.544 1.00 0.00 H new ATOM 622 N GLU A 929 4.398 -2.601 -6.449 1.00 0.00 N ATOM 623 CA GLU A 929 4.039 -2.122 -5.120 1.00 0.00 C ATOM 624 C GLU A 929 4.706 -0.781 -4.827 1.00 0.00 C ATOM 625 O GLU A 929 4.100 0.109 -4.227 1.00 0.00 O ATOM 626 CB GLU A 929 4.441 -3.147 -4.058 1.00 0.00 C ATOM 627 CG GLU A 929 3.595 -3.082 -2.798 1.00 0.00 C ATOM 628 CD GLU A 929 3.464 -4.428 -2.113 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.421 -4.840 -1.425 1.00 0.00 O ATOM 630 OE2 GLU A 929 2.403 -5.070 -2.265 1.00 0.00 O ATOM 0 H GLU A 929 4.774 -3.549 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 929 2.958 -1.985 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.366 -4.147 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.486 -2.991 -3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.038 -2.367 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.602 -2.709 -3.050 1.00 0.00 H new ATOM 637 N LEU A 930 5.956 -0.643 -5.253 1.00 0.00 N ATOM 638 CA LEU A 930 6.707 0.588 -5.036 1.00 0.00 C ATOM 639 C LEU A 930 5.959 1.790 -5.605 1.00 0.00 C ATOM 640 O LEU A 930 5.612 2.720 -4.876 1.00 0.00 O ATOM 641 CB LEU A 930 8.091 0.485 -5.679 1.00 0.00 C ATOM 642 CG LEU A 930 9.011 1.692 -5.491 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.631 1.680 -4.102 1.00 0.00 C ATOM 644 CD2 LEU A 930 10.094 1.709 -6.560 1.00 0.00 C ATOM 0 H LEU A 930 6.471 -1.369 -5.751 1.00 0.00 H new ATOM 0 HA LEU A 930 6.822 0.729 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.592 -0.395 -5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.961 0.316 -6.748 1.00 0.00 H new ATOM 0 HG LEU A 930 8.414 2.598 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 930 10.282 2.546 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.842 1.717 -3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 930 10.214 0.768 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.739 2.575 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.688 0.798 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.632 1.767 -7.545 1.00 0.00 H new ATOM 656 N HIS A 931 5.711 1.762 -6.910 1.00 0.00 N ATOM 657 CA HIS A 931 5.000 2.848 -7.576 1.00 0.00 C ATOM 658 C HIS A 931 3.849 3.354 -6.713 1.00 0.00 C ATOM 659 O HIS A 931 3.652 4.560 -6.570 1.00 0.00 O ATOM 660 CB HIS A 931 4.470 2.382 -8.932 1.00 0.00 C ATOM 661 CG HIS A 931 5.449 1.555 -9.707 1.00 0.00 C ATOM 662 ND1 HIS A 931 6.794 1.447 -9.602 1.00 0.00 N flip ATOM 663 CD2 HIS A 931 5.077 0.711 -10.732 1.00 0.00 C flip ATOM 664 CE1 HIS A 931 7.206 0.548 -10.555 1.00 0.00 C flip ATOM 665 NE2 HIS A 931 6.150 0.118 -11.223 1.00 0.00 N flip ATOM 0 H HIS A 931 5.991 1.000 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 931 5.702 3.668 -7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.560 1.802 -8.777 1.00 0.00 H new ATOM 0 HB3 HIS A 931 4.195 3.255 -9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 931 4.066 0.559 -11.079 1.00 0.00 H new ATOM 0 HE1 HIS A 931 8.227 0.242 -10.730 1.00 0.00 H new ATOM 0 HE2 HIS A 931 6.162 -0.557 -11.988 1.00 0.00 H new ATOM 673 N GLU A 932 3.091 2.424 -6.140 1.00 0.00 N ATOM 674 CA GLU A 932 1.959 2.777 -5.292 1.00 0.00 C ATOM 675 C GLU A 932 2.433 3.405 -3.985 1.00 0.00 C ATOM 676 O GLU A 932 1.759 4.265 -3.417 1.00 0.00 O ATOM 677 CB GLU A 932 1.108 1.539 -4.998 1.00 0.00 C ATOM 678 CG GLU A 932 -0.144 1.839 -4.191 1.00 0.00 C ATOM 679 CD GLU A 932 -0.554 0.684 -3.299 1.00 0.00 C ATOM 680 OE1 GLU A 932 -0.071 0.623 -2.149 1.00 0.00 O ATOM 681 OE2 GLU A 932 -1.358 -0.159 -3.750 1.00 0.00 O ATOM 0 H GLU A 932 3.241 1.421 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 932 1.352 3.508 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 932 0.820 1.074 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 932 1.714 0.812 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 932 0.027 2.724 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.962 2.076 -4.871 1.00 0.00 H new ATOM 688 N TRP A 933 3.595 2.969 -3.514 1.00 0.00 N ATOM 689 CA TRP A 933 4.160 3.487 -2.273 1.00 0.00 C ATOM 690 C TRP A 933 4.601 4.937 -2.440 1.00 0.00 C ATOM 691 O TRP A 933 4.396 5.763 -1.551 1.00 0.00 O ATOM 692 CB TRP A 933 5.344 2.628 -1.829 1.00 0.00 C ATOM 693 CG TRP A 933 4.948 1.471 -0.963 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.710 0.900 -0.874 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.792 0.745 -0.062 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.734 -0.137 0.027 1.00 0.00 N ATOM 697 CE2 TRP A 933 5.000 -0.253 0.538 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.140 0.840 0.293 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.513 -1.146 1.475 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.647 -0.047 1.223 1.00 0.00 C ATOM 701 CH2 TRP A 933 6.836 -1.031 1.805 1.00 0.00 C ATOM 0 H TRP A 933 4.165 2.258 -3.972 1.00 0.00 H new ATOM 0 HA TRP A 933 3.386 3.448 -1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.861 2.251 -2.711 1.00 0.00 H new ATOM 0 HB3 TRP A 933 6.053 3.253 -1.286 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.840 1.217 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.938 -0.725 0.275 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.774 1.593 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 4.888 -1.903 1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.687 0.019 1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.263 -1.711 2.527 1.00 0.00 H new ATOM 712 N GLU A 934 5.208 5.238 -3.583 1.00 0.00 N ATOM 713 CA GLU A 934 5.679 6.589 -3.865 1.00 0.00 C ATOM 714 C GLU A 934 4.558 7.607 -3.674 1.00 0.00 C ATOM 715 O GLU A 934 4.792 8.723 -3.212 1.00 0.00 O ATOM 716 CB GLU A 934 6.224 6.677 -5.292 1.00 0.00 C ATOM 717 CG GLU A 934 7.510 5.895 -5.501 1.00 0.00 C ATOM 718 CD GLU A 934 7.678 5.420 -6.931 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.459 6.232 -7.855 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.029 4.238 -7.127 1.00 0.00 O ATOM 0 H GLU A 934 5.385 4.565 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 934 6.480 6.820 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.467 6.308 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.400 7.723 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 934 8.360 6.521 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 934 7.520 5.034 -4.833 1.00 0.00 H new ATOM 727 N GLU A 935 3.341 7.212 -4.033 1.00 0.00 N ATOM 728 CA GLU A 935 2.184 8.090 -3.902 1.00 0.00 C ATOM 729 C GLU A 935 1.616 8.035 -2.487 1.00 0.00 C ATOM 730 O GLU A 935 1.507 9.058 -1.811 1.00 0.00 O ATOM 731 CB GLU A 935 1.103 7.700 -4.912 1.00 0.00 C ATOM 732 CG GLU A 935 1.644 7.413 -6.303 1.00 0.00 C ATOM 733 CD GLU A 935 0.665 7.787 -7.399 1.00 0.00 C ATOM 734 OE1 GLU A 935 -0.457 7.238 -7.405 1.00 0.00 O ATOM 735 OE2 GLU A 935 1.021 8.629 -8.250 1.00 0.00 O ATOM 0 H GLU A 935 3.130 6.291 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 935 2.510 9.110 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.578 6.818 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.370 8.504 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.573 7.964 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 935 1.886 6.353 -6.383 1.00 0.00 H new ATOM 742 N ARG A 936 1.256 6.835 -2.046 1.00 0.00 N ATOM 743 CA ARG A 936 0.698 6.646 -0.713 1.00 0.00 C ATOM 744 C ARG A 936 1.322 7.622 0.281 1.00 0.00 C ATOM 745 O ARG A 936 0.621 8.415 0.910 1.00 0.00 O ATOM 746 CB ARG A 936 0.923 5.208 -0.241 1.00 0.00 C ATOM 747 CG ARG A 936 -0.078 4.217 -0.811 1.00 0.00 C ATOM 748 CD ARG A 936 0.198 2.803 -0.324 1.00 0.00 C ATOM 749 NE ARG A 936 -1.023 2.009 -0.225 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.022 2.296 0.602 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.944 3.353 1.399 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.101 1.525 0.634 1.00 0.00 N ATOM 0 H ARG A 936 1.341 5.978 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.373 6.841 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.929 4.896 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.871 5.179 0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.087 4.511 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 936 -0.037 4.242 -1.900 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.894 2.314 -1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.684 2.844 0.651 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.114 1.188 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.116 3.948 1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.712 3.571 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.164 0.711 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.867 1.747 1.270 1.00 0.00 H new ATOM 766 N ARG A 937 2.642 7.556 0.417 1.00 0.00 N ATOM 767 CA ARG A 937 3.360 8.432 1.335 1.00 0.00 C ATOM 768 C ARG A 937 3.238 9.890 0.902 1.00 0.00 C ATOM 769 O ARG A 937 2.816 10.746 1.681 1.00 0.00 O ATOM 770 CB ARG A 937 4.835 8.032 1.407 1.00 0.00 C ATOM 771 CG ARG A 937 5.570 8.629 2.596 1.00 0.00 C ATOM 772 CD ARG A 937 5.130 7.987 3.902 1.00 0.00 C ATOM 773 NE ARG A 937 6.172 8.055 4.924 1.00 0.00 N ATOM 774 CZ ARG A 937 6.589 9.190 5.474 1.00 0.00 C ATOM 775 NH1 ARG A 937 6.054 10.345 5.104 1.00 0.00 N ATOM 776 NH2 ARG A 937 7.541 9.170 6.398 1.00 0.00 N ATOM 0 H ARG A 937 3.236 6.905 -0.097 1.00 0.00 H new ATOM 0 HA ARG A 937 2.913 8.326 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 937 4.906 6.945 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.333 8.344 0.489 1.00 0.00 H new ATOM 0 HG2 ARG A 937 6.644 8.494 2.467 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.386 9.703 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 937 4.232 8.486 4.266 1.00 0.00 H new ATOM 0 HD3 ARG A 937 4.866 6.945 3.723 1.00 0.00 H new ATOM 0 HE ARG A 937 6.603 7.183 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 937 5.320 10.364 4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 937 6.376 11.215 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 937 7.953 8.283 6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 937 7.861 10.042 6.820 1.00 0.00 H new ATOM 790 N ASP A 938 3.609 10.165 -0.343 1.00 0.00 N ATOM 791 CA ASP A 938 3.541 11.520 -0.880 1.00 0.00 C ATOM 792 C ASP A 938 2.255 12.214 -0.441 1.00 0.00 C ATOM 793 O ASP A 938 2.278 13.362 0.000 1.00 0.00 O ATOM 794 CB ASP A 938 3.624 11.491 -2.407 1.00 0.00 C ATOM 795 CG ASP A 938 5.053 11.407 -2.907 1.00 0.00 C ATOM 796 OD1 ASP A 938 5.968 11.811 -2.160 1.00 0.00 O ATOM 797 OD2 ASP A 938 5.256 10.938 -4.047 1.00 0.00 O ATOM 0 H ASP A 938 3.960 9.468 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 938 4.388 12.083 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.060 10.637 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.153 12.387 -2.811 1.00 0.00 H new