USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 300 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 919 ASN : amide:sc= -0.291 X(o=-0.28,f=-0.45) USER MOD Set 1.2: A 920 SER OG : rot 47:sc= 0.00768 USER MOD Set 2.1: A 907 CYS SG : rot -173:sc= -0.994 USER MOD Set 2.2: A 915 CYS SG : rot -175:sc= -1.23 USER MOD Set 2.3: A 921 CYS SG : rot 132:sc= -0.933 USER MOD Set 2.4: A 925 HIS : no HE2:sc= -1.44 X(o=-4.6,f=-5) USER MOD Single : A 897 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.0024) USER MOD Single : A 901 THR OG1 : rot 120:sc= -0.589 USER MOD Single : A 903 TYR OH : rot 180:sc= 0 USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 910 TYR OH : rot 180:sc= 0 USER MOD Single : A 911 MET CE :methyl 164:sc= -0.852 (180deg=-0.892) USER MOD Single : A 912 ASN : amide:sc= 0.622 K(o=0.62,f=-0.48) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -160:sc= -0.0755 (180deg=-0.372) USER MOD Single : A 927 ASN : amide:sc= -0.134 K(o=-0.13,f=-7.5!) USER MOD Single : A 931 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.253 -2.196 -1.616 1.00 0.00 N ATOM 156 CA HIS A 897 -1.092 -2.918 -1.108 1.00 0.00 C ATOM 157 C HIS A 897 -0.627 -2.332 0.221 1.00 0.00 C ATOM 158 O HIS A 897 -1.240 -1.404 0.750 1.00 0.00 O ATOM 159 CB HIS A 897 0.048 -2.874 -2.126 1.00 0.00 C ATOM 160 CG HIS A 897 -0.292 -3.519 -3.434 1.00 0.00 C ATOM 161 ND1 HIS A 897 0.367 -4.629 -3.919 1.00 0.00 N ATOM 162 CD2 HIS A 897 -1.228 -3.205 -4.359 1.00 0.00 C ATOM 163 CE1 HIS A 897 -0.148 -4.969 -5.087 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.119 -4.121 -5.377 1.00 0.00 N ATOM 0 HA HIS A 897 -1.383 -3.956 -0.945 1.00 0.00 H new ATOM 0 HB2 HIS A 897 0.325 -1.835 -2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.922 -3.369 -1.702 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -1.930 -2.386 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 897 0.170 -5.799 -5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -1.694 -4.143 -6.219 1.00 0.00 H new ATOM 172 N ARG A 898 0.460 -2.880 0.756 1.00 0.00 N ATOM 173 CA ARG A 898 1.006 -2.412 2.024 1.00 0.00 C ATOM 174 C ARG A 898 1.418 -0.946 1.931 1.00 0.00 C ATOM 175 O ARG A 898 1.557 -0.397 0.838 1.00 0.00 O ATOM 176 CB ARG A 898 2.208 -3.266 2.432 1.00 0.00 C ATOM 177 CG ARG A 898 1.973 -4.760 2.281 1.00 0.00 C ATOM 178 CD ARG A 898 0.756 -5.215 3.070 1.00 0.00 C ATOM 179 NE ARG A 898 0.650 -6.671 3.122 1.00 0.00 N ATOM 180 CZ ARG A 898 -0.137 -7.321 3.972 1.00 0.00 C ATOM 181 NH1 ARG A 898 -0.884 -6.648 4.836 1.00 0.00 N ATOM 182 NH2 ARG A 898 -0.179 -8.647 3.958 1.00 0.00 N ATOM 0 H ARG A 898 0.979 -3.648 0.331 1.00 0.00 H new ATOM 0 HA ARG A 898 0.228 -2.505 2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 898 3.069 -2.979 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 898 2.461 -3.050 3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 898 1.837 -5.003 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 898 2.854 -5.304 2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 898 0.813 -4.819 4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 898 -0.145 -4.802 2.617 1.00 0.00 H new ATOM 0 HE ARG A 898 1.211 -7.219 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 898 -0.855 -5.628 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 898 -1.487 -7.150 5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 898 0.393 -9.168 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 898 -0.784 -9.145 4.611 1.00 0.00 H new ATOM 196 N PHE A 899 1.610 -0.316 3.086 1.00 0.00 N ATOM 197 CA PHE A 899 2.005 1.087 3.134 1.00 0.00 C ATOM 198 C PHE A 899 3.518 1.222 3.276 1.00 0.00 C ATOM 199 O PHE A 899 4.167 0.478 4.012 1.00 0.00 O ATOM 200 CB PHE A 899 1.307 1.795 4.298 1.00 0.00 C ATOM 201 CG PHE A 899 1.450 3.289 4.263 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.677 3.887 4.501 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.357 4.097 3.993 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.813 5.262 4.469 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.486 5.473 3.960 1.00 0.00 C ATOM 206 CZ PHE A 899 1.715 6.056 4.199 1.00 0.00 C ATOM 0 H PHE A 899 1.499 -0.755 4.000 1.00 0.00 H new ATOM 0 HA PHE A 899 1.703 1.556 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.248 1.539 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.714 1.421 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.538 3.271 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.607 3.647 3.806 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.776 5.715 4.655 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.373 6.092 3.748 1.00 0.00 H new ATOM 0 HZ PHE A 899 1.818 7.131 4.175 1.00 0.00 H new ATOM 216 N PRO A 900 4.095 2.194 2.554 1.00 0.00 N ATOM 217 CA PRO A 900 5.538 2.450 2.582 1.00 0.00 C ATOM 218 C PRO A 900 5.998 3.032 3.914 1.00 0.00 C ATOM 219 O PRO A 900 5.912 4.239 4.140 1.00 0.00 O ATOM 220 CB PRO A 900 5.740 3.467 1.456 1.00 0.00 C ATOM 221 CG PRO A 900 4.423 4.152 1.325 1.00 0.00 C ATOM 222 CD PRO A 900 3.383 3.118 1.656 1.00 0.00 C ATOM 0 HA PRO A 900 6.116 1.535 2.457 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.532 4.175 1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 900 6.026 2.976 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.357 5.003 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.282 4.537 0.315 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.515 3.563 2.143 1.00 0.00 H new ATOM 0 HD3 PRO A 900 3.022 2.611 0.761 1.00 0.00 H new ATOM 230 N THR A 901 6.488 2.165 4.796 1.00 0.00 N ATOM 231 CA THR A 901 6.961 2.593 6.106 1.00 0.00 C ATOM 232 C THR A 901 7.602 3.974 6.035 1.00 0.00 C ATOM 233 O THR A 901 7.520 4.757 6.981 1.00 0.00 O ATOM 234 CB THR A 901 7.981 1.596 6.688 1.00 0.00 C ATOM 235 OG1 THR A 901 9.128 1.514 5.836 1.00 0.00 O ATOM 236 CG2 THR A 901 7.360 0.216 6.844 1.00 0.00 C ATOM 0 H THR A 901 6.567 1.162 4.626 1.00 0.00 H new ATOM 0 HA THR A 901 6.089 2.633 6.759 1.00 0.00 H new ATOM 0 HB THR A 901 8.285 1.954 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.927 1.782 6.336 1.00 0.00 H new ATOM 0 HG21 THR A 901 8.099 -0.471 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.505 0.276 7.517 1.00 0.00 H new ATOM 0 HG23 THR A 901 7.031 -0.147 5.870 1.00 0.00 H new ATOM 244 N GLY A 902 8.241 4.268 4.907 1.00 0.00 N ATOM 245 CA GLY A 902 8.887 5.556 4.733 1.00 0.00 C ATOM 246 C GLY A 902 10.055 5.495 3.769 1.00 0.00 C ATOM 247 O GLY A 902 10.568 6.527 3.338 1.00 0.00 O ATOM 0 H GLY A 902 8.323 3.637 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.157 6.279 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.237 5.917 5.700 1.00 0.00 H new ATOM 251 N TYR A 903 10.477 4.281 3.432 1.00 0.00 N ATOM 252 CA TYR A 903 11.595 4.089 2.516 1.00 0.00 C ATOM 253 C TYR A 903 11.125 4.133 1.065 1.00 0.00 C ATOM 254 O TYR A 903 9.940 3.962 0.779 1.00 0.00 O ATOM 255 CB TYR A 903 12.290 2.756 2.798 1.00 0.00 C ATOM 256 CG TYR A 903 13.038 2.729 4.112 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.359 2.799 5.322 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.424 2.633 4.142 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.039 2.776 6.524 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.112 2.607 5.340 1.00 0.00 C ATOM 261 CZ TYR A 903 14.415 2.680 6.528 1.00 0.00 C ATOM 262 OH TYR A 903 15.096 2.655 7.724 1.00 0.00 O ATOM 0 H TYR A 903 10.062 3.416 3.779 1.00 0.00 H new ATOM 0 HA TYR A 903 12.304 4.902 2.674 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.545 1.960 2.797 1.00 0.00 H new ATOM 0 HB3 TYR A 903 12.987 2.541 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.282 2.873 5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.973 2.578 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.496 2.833 7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.189 2.530 5.346 1.00 0.00 H new ATOM 0 HH TYR A 903 16.058 2.583 7.551 1.00 0.00 H new ATOM 272 N PHE A 904 12.063 4.363 0.152 1.00 0.00 N ATOM 273 CA PHE A 904 11.747 4.430 -1.270 1.00 0.00 C ATOM 274 C PHE A 904 12.706 3.565 -2.082 1.00 0.00 C ATOM 275 O PHE A 904 13.431 4.063 -2.942 1.00 0.00 O ATOM 276 CB PHE A 904 11.808 5.878 -1.760 1.00 0.00 C ATOM 277 CG PHE A 904 11.729 6.009 -3.254 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.697 5.414 -3.962 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.688 6.726 -3.951 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.622 5.532 -5.337 1.00 0.00 C ATOM 281 CE2 PHE A 904 12.617 6.849 -5.326 1.00 0.00 C ATOM 282 CZ PHE A 904 11.584 6.250 -6.020 1.00 0.00 C ATOM 0 H PHE A 904 13.049 4.506 0.372 1.00 0.00 H new ATOM 0 HA PHE A 904 10.735 4.049 -1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.990 6.440 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.736 6.332 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.942 4.851 -3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 904 13.500 7.194 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.812 5.063 -5.877 1.00 0.00 H new ATOM 0 HE2 PHE A 904 13.369 7.413 -5.857 1.00 0.00 H new ATOM 0 HZ PHE A 904 11.529 6.343 -7.095 1.00 0.00 H new ATOM 292 N SER A 905 12.704 2.265 -1.801 1.00 0.00 N ATOM 293 CA SER A 905 13.577 1.331 -2.502 1.00 0.00 C ATOM 294 C SER A 905 12.941 -0.054 -2.577 1.00 0.00 C ATOM 295 O SER A 905 11.875 -0.291 -2.009 1.00 0.00 O ATOM 296 CB SER A 905 14.934 1.244 -1.800 1.00 0.00 C ATOM 297 OG SER A 905 15.973 0.988 -2.730 1.00 0.00 O ATOM 0 H SER A 905 12.108 1.836 -1.093 1.00 0.00 H new ATOM 0 HA SER A 905 13.724 1.700 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 905 15.135 2.177 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 905 14.909 0.453 -1.050 1.00 0.00 H new ATOM 0 HG SER A 905 16.830 0.939 -2.257 1.00 0.00 H new ATOM 303 N ILE A 906 13.603 -0.964 -3.283 1.00 0.00 N ATOM 304 CA ILE A 906 13.104 -2.326 -3.433 1.00 0.00 C ATOM 305 C ILE A 906 13.777 -3.270 -2.442 1.00 0.00 C ATOM 306 O ILE A 906 14.949 -3.100 -2.104 1.00 0.00 O ATOM 307 CB ILE A 906 13.329 -2.854 -4.862 1.00 0.00 C ATOM 308 CG1 ILE A 906 12.415 -2.124 -5.849 1.00 0.00 C ATOM 309 CG2 ILE A 906 13.085 -4.354 -4.917 1.00 0.00 C ATOM 310 CD1 ILE A 906 10.943 -2.369 -5.604 1.00 0.00 C ATOM 0 H ILE A 906 14.486 -0.783 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 906 12.033 -2.294 -3.231 1.00 0.00 H new ATOM 0 HB ILE A 906 14.364 -2.663 -5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 906 12.612 -1.053 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 906 12.664 -2.438 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 906 13.248 -4.712 -5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.773 -4.860 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 906 12.059 -4.567 -4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 906 10.355 -1.821 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 906 10.732 -3.435 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.679 -2.028 -4.603 1.00 0.00 H new ATOM 322 N CYS A 907 13.028 -4.266 -1.981 1.00 0.00 N ATOM 323 CA CYS A 907 13.552 -5.240 -1.031 1.00 0.00 C ATOM 324 C CYS A 907 14.350 -6.325 -1.747 1.00 0.00 C ATOM 325 O CYS A 907 13.792 -7.128 -2.495 1.00 0.00 O ATOM 326 CB CYS A 907 12.408 -5.873 -0.236 1.00 0.00 C ATOM 327 SG CYS A 907 12.952 -7.074 1.022 1.00 0.00 S ATOM 0 H CYS A 907 12.056 -4.420 -2.250 1.00 0.00 H new ATOM 0 HA CYS A 907 14.219 -4.718 -0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.839 -5.083 0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 907 11.730 -6.371 -0.929 1.00 0.00 H new ATOM 0 HG CYS A 907 11.914 -7.662 1.539 1.00 0.00 H new ATOM 332 N ASP A 908 15.657 -6.342 -1.512 1.00 0.00 N ATOM 333 CA ASP A 908 16.533 -7.330 -2.133 1.00 0.00 C ATOM 334 C ASP A 908 16.051 -8.746 -1.836 1.00 0.00 C ATOM 335 O ASP A 908 16.061 -9.612 -2.712 1.00 0.00 O ATOM 336 CB ASP A 908 17.969 -7.152 -1.638 1.00 0.00 C ATOM 337 CG ASP A 908 18.737 -6.124 -2.446 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.597 -6.119 -3.687 1.00 0.00 O ATOM 339 OD2 ASP A 908 19.477 -5.325 -1.837 1.00 0.00 O ATOM 0 H ASP A 908 16.134 -5.683 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 908 16.507 -7.176 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 908 17.954 -6.850 -0.591 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.488 -8.109 -1.686 1.00 0.00 H new ATOM 344 N ARG A 909 15.630 -8.976 -0.597 1.00 0.00 N ATOM 345 CA ARG A 909 15.147 -10.288 -0.184 1.00 0.00 C ATOM 346 C ARG A 909 13.932 -10.703 -1.009 1.00 0.00 C ATOM 347 O ARG A 909 13.876 -11.816 -1.533 1.00 0.00 O ATOM 348 CB ARG A 909 14.788 -10.279 1.303 1.00 0.00 C ATOM 349 CG ARG A 909 15.955 -9.917 2.208 1.00 0.00 C ATOM 350 CD ARG A 909 16.001 -8.423 2.487 1.00 0.00 C ATOM 351 NE ARG A 909 16.647 -8.124 3.763 1.00 0.00 N ATOM 352 CZ ARG A 909 17.946 -8.286 3.984 1.00 0.00 C ATOM 353 NH1 ARG A 909 18.735 -8.742 3.020 1.00 0.00 N ATOM 354 NH2 ARG A 909 18.460 -7.992 5.172 1.00 0.00 N ATOM 0 H ARG A 909 15.614 -8.270 0.139 1.00 0.00 H new ATOM 0 HA ARG A 909 15.945 -11.011 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 909 13.977 -9.570 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.413 -11.263 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 909 15.870 -10.461 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 909 16.889 -10.230 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 909 16.538 -7.920 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 909 14.987 -8.024 2.492 1.00 0.00 H new ATOM 0 HE ARG A 909 16.068 -7.772 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.344 -8.969 2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 909 19.733 -8.865 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 909 17.857 -7.641 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 909 19.458 -8.117 5.341 1.00 0.00 H new ATOM 368 N TYR A 910 12.962 -9.802 -1.119 1.00 0.00 N ATOM 369 CA TYR A 910 11.747 -10.076 -1.877 1.00 0.00 C ATOM 370 C TYR A 910 12.065 -10.307 -3.351 1.00 0.00 C ATOM 371 O TYR A 910 11.630 -11.294 -3.943 1.00 0.00 O ATOM 372 CB TYR A 910 10.759 -8.918 -1.732 1.00 0.00 C ATOM 373 CG TYR A 910 9.540 -9.048 -2.617 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.480 -9.870 -2.256 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.449 -8.349 -3.815 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.364 -9.992 -3.062 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.337 -8.464 -4.626 1.00 0.00 C ATOM 378 CZ TYR A 910 7.297 -9.287 -4.246 1.00 0.00 C ATOM 379 OH TYR A 910 6.188 -9.405 -5.052 1.00 0.00 O ATOM 0 H TYR A 910 12.994 -8.876 -0.693 1.00 0.00 H new ATOM 0 HA TYR A 910 11.295 -10.983 -1.475 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.438 -8.854 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.270 -7.984 -1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.529 -10.423 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.262 -7.705 -4.117 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.549 -10.636 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.282 -7.912 -5.553 1.00 0.00 H new ATOM 0 HH TYR A 910 6.300 -8.842 -5.847 1.00 0.00 H new ATOM 389 N MET A 911 12.827 -9.389 -3.936 1.00 0.00 N ATOM 390 CA MET A 911 13.205 -9.493 -5.341 1.00 0.00 C ATOM 391 C MET A 911 13.916 -10.814 -5.616 1.00 0.00 C ATOM 392 O MET A 911 13.710 -11.434 -6.658 1.00 0.00 O ATOM 393 CB MET A 911 14.108 -8.322 -5.735 1.00 0.00 C ATOM 394 CG MET A 911 13.344 -7.113 -6.250 1.00 0.00 C ATOM 395 SD MET A 911 12.526 -7.426 -7.826 1.00 0.00 S ATOM 396 CE MET A 911 10.805 -7.342 -7.336 1.00 0.00 C ATOM 0 H MET A 911 13.195 -8.565 -3.460 1.00 0.00 H new ATOM 0 HA MET A 911 12.295 -9.459 -5.941 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.702 -8.025 -4.871 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.806 -8.655 -6.503 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.599 -6.817 -5.511 1.00 0.00 H new ATOM 0 HG3 MET A 911 14.032 -6.275 -6.362 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.180 -7.230 -8.222 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.531 -8.257 -6.811 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.656 -6.487 -6.676 1.00 0.00 H new ATOM 406 N ASN A 912 14.754 -11.237 -4.675 1.00 0.00 N ATOM 407 CA ASN A 912 15.496 -12.485 -4.817 1.00 0.00 C ATOM 408 C ASN A 912 14.548 -13.679 -4.869 1.00 0.00 C ATOM 409 O ASN A 912 14.741 -14.605 -5.655 1.00 0.00 O ATOM 410 CB ASN A 912 16.481 -12.651 -3.659 1.00 0.00 C ATOM 411 CG ASN A 912 17.839 -12.048 -3.963 1.00 0.00 C ATOM 412 OD1 ASN A 912 18.847 -12.753 -4.012 1.00 0.00 O ATOM 413 ND2 ASN A 912 17.870 -10.736 -4.168 1.00 0.00 N ATOM 0 H ASN A 912 14.936 -10.734 -3.806 1.00 0.00 H new ATOM 0 HA ASN A 912 16.051 -12.444 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.070 -12.181 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 912 16.599 -13.711 -3.436 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.755 -10.273 -4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.009 -10.191 -4.117 1.00 0.00 H new ATOM 420 N GLY A 913 13.521 -13.650 -4.025 1.00 0.00 N ATOM 421 CA GLY A 913 12.557 -14.734 -3.991 1.00 0.00 C ATOM 422 C GLY A 913 11.643 -14.660 -2.784 1.00 0.00 C ATOM 423 O GLY A 913 10.426 -14.537 -2.923 1.00 0.00 O ATOM 0 H GLY A 913 13.340 -12.895 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 913 11.956 -14.710 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.086 -15.687 -3.984 1.00 0.00 H new ATOM 427 N THR A 914 12.230 -14.736 -1.593 1.00 0.00 N ATOM 428 CA THR A 914 11.460 -14.680 -0.357 1.00 0.00 C ATOM 429 C THR A 914 12.035 -13.643 0.602 1.00 0.00 C ATOM 430 O THR A 914 13.251 -13.470 0.690 1.00 0.00 O ATOM 431 CB THR A 914 11.427 -16.050 0.347 1.00 0.00 C ATOM 432 OG1 THR A 914 10.575 -15.989 1.496 1.00 0.00 O ATOM 433 CG2 THR A 914 12.825 -16.476 0.768 1.00 0.00 C ATOM 0 H THR A 914 13.236 -14.836 -1.459 1.00 0.00 H new ATOM 0 HA THR A 914 10.444 -14.395 -0.630 1.00 0.00 H new ATOM 0 HB THR A 914 11.037 -16.786 -0.356 1.00 0.00 H new ATOM 0 HG1 THR A 914 10.558 -16.864 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 914 12.776 -17.446 1.263 1.00 0.00 H new ATOM 0 HG22 THR A 914 13.464 -16.549 -0.112 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.239 -15.738 1.456 1.00 0.00 H new ATOM 441 N CYS A 915 11.153 -12.955 1.319 1.00 0.00 N ATOM 442 CA CYS A 915 11.572 -11.934 2.272 1.00 0.00 C ATOM 443 C CYS A 915 11.174 -12.321 3.693 1.00 0.00 C ATOM 444 O CYS A 915 10.117 -12.906 3.931 1.00 0.00 O ATOM 445 CB CYS A 915 10.955 -10.582 1.908 1.00 0.00 C ATOM 446 SG CYS A 915 10.840 -9.417 3.303 1.00 0.00 S ATOM 0 H CYS A 915 10.143 -13.086 1.258 1.00 0.00 H new ATOM 0 HA CYS A 915 12.658 -11.854 2.226 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.548 -10.126 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 915 9.956 -10.748 1.504 1.00 0.00 H new ATOM 0 HG CYS A 915 10.221 -8.340 2.919 1.00 0.00 H new ATOM 451 N PRO A 916 12.039 -11.986 4.662 1.00 0.00 N ATOM 452 CA PRO A 916 11.799 -12.288 6.076 1.00 0.00 C ATOM 453 C PRO A 916 10.668 -11.452 6.664 1.00 0.00 C ATOM 454 O PRO A 916 9.760 -11.982 7.303 1.00 0.00 O ATOM 455 CB PRO A 916 13.130 -11.933 6.745 1.00 0.00 C ATOM 456 CG PRO A 916 13.748 -10.920 5.844 1.00 0.00 C ATOM 457 CD PRO A 916 13.318 -11.288 4.451 1.00 0.00 C ATOM 0 HA PRO A 916 11.493 -13.324 6.225 1.00 0.00 H new ATOM 0 HB2 PRO A 916 12.975 -11.530 7.746 1.00 0.00 H new ATOM 0 HB3 PRO A 916 13.767 -12.811 6.850 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.416 -9.914 6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 916 14.834 -10.930 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.196 -10.406 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.050 -11.930 3.961 1.00 0.00 H new ATOM 465 N GLU A 917 10.729 -10.142 6.441 1.00 0.00 N ATOM 466 CA GLU A 917 9.708 -9.234 6.950 1.00 0.00 C ATOM 467 C GLU A 917 8.321 -9.650 6.470 1.00 0.00 C ATOM 468 O GLU A 917 7.506 -10.146 7.247 1.00 0.00 O ATOM 469 CB GLU A 917 10.004 -7.799 6.506 1.00 0.00 C ATOM 470 CG GLU A 917 11.295 -7.239 7.078 1.00 0.00 C ATOM 471 CD GLU A 917 11.228 -7.033 8.579 1.00 0.00 C ATOM 472 OE1 GLU A 917 11.117 -8.040 9.311 1.00 0.00 O ATOM 473 OE2 GLU A 917 11.286 -5.867 9.022 1.00 0.00 O ATOM 0 H GLU A 917 11.473 -9.687 5.912 1.00 0.00 H new ATOM 0 HA GLU A 917 9.726 -9.282 8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.055 -7.768 5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.175 -7.157 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.116 -7.917 6.845 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.520 -6.288 6.594 1.00 0.00 H new ATOM 480 N GLY A 918 8.060 -9.444 5.183 1.00 0.00 N ATOM 481 CA GLY A 918 6.771 -9.803 4.621 1.00 0.00 C ATOM 482 C GLY A 918 5.893 -8.594 4.366 1.00 0.00 C ATOM 483 O GLY A 918 6.071 -7.887 3.375 1.00 0.00 O ATOM 0 H GLY A 918 8.718 -9.035 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 918 6.923 -10.341 3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.258 -10.484 5.301 1.00 0.00 H new ATOM 487 N ASN A 919 4.940 -8.356 5.262 1.00 0.00 N ATOM 488 CA ASN A 919 4.029 -7.225 5.127 1.00 0.00 C ATOM 489 C ASN A 919 4.535 -6.023 5.918 1.00 0.00 C ATOM 490 O ASN A 919 4.393 -4.879 5.487 1.00 0.00 O ATOM 491 CB ASN A 919 2.628 -7.612 5.606 1.00 0.00 C ATOM 492 CG ASN A 919 2.526 -7.656 7.118 1.00 0.00 C ATOM 493 OD1 ASN A 919 2.181 -6.661 7.757 1.00 0.00 O ATOM 494 ND2 ASN A 919 2.825 -8.812 7.699 1.00 0.00 N ATOM 0 H ASN A 919 4.779 -8.931 6.089 1.00 0.00 H new ATOM 0 HA ASN A 919 3.982 -6.951 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 919 1.903 -6.897 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.364 -8.588 5.198 1.00 0.00 H new ATOM 0 HD21 ASN A 919 2.773 -8.901 8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 919 3.106 -9.611 7.130 1.00 0.00 H new ATOM 501 N SER A 920 5.126 -6.290 7.078 1.00 0.00 N ATOM 502 CA SER A 920 5.651 -5.230 7.931 1.00 0.00 C ATOM 503 C SER A 920 7.081 -4.875 7.539 1.00 0.00 C ATOM 504 O SER A 920 7.891 -4.489 8.382 1.00 0.00 O ATOM 505 CB SER A 920 5.604 -5.658 9.399 1.00 0.00 C ATOM 506 OG SER A 920 4.327 -5.410 9.963 1.00 0.00 O ATOM 0 H SER A 920 5.253 -7.232 7.449 1.00 0.00 H new ATOM 0 HA SER A 920 5.026 -4.347 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 920 5.840 -6.719 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 920 6.365 -5.118 9.963 1.00 0.00 H new ATOM 0 HG SER A 920 3.632 -5.738 9.355 1.00 0.00 H new ATOM 512 N CYS A 921 7.386 -5.008 6.252 1.00 0.00 N ATOM 513 CA CYS A 921 8.718 -4.702 5.746 1.00 0.00 C ATOM 514 C CYS A 921 8.853 -3.214 5.434 1.00 0.00 C ATOM 515 O CYS A 921 7.864 -2.532 5.165 1.00 0.00 O ATOM 516 CB CYS A 921 9.011 -5.526 4.490 1.00 0.00 C ATOM 517 SG CYS A 921 10.771 -5.571 4.024 1.00 0.00 S ATOM 0 H CYS A 921 6.728 -5.326 5.541 1.00 0.00 H new ATOM 0 HA CYS A 921 9.441 -4.960 6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.662 -6.546 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.436 -5.118 3.659 1.00 0.00 H new ATOM 0 HG CYS A 921 11.123 -6.798 3.778 1.00 0.00 H new ATOM 522 N LYS A 922 10.084 -2.717 5.471 1.00 0.00 N ATOM 523 CA LYS A 922 10.351 -1.311 5.192 1.00 0.00 C ATOM 524 C LYS A 922 10.670 -1.101 3.715 1.00 0.00 C ATOM 525 O LYS A 922 10.526 0.003 3.189 1.00 0.00 O ATOM 526 CB LYS A 922 11.514 -0.811 6.051 1.00 0.00 C ATOM 527 CG LYS A 922 12.861 -1.388 5.649 1.00 0.00 C ATOM 528 CD LYS A 922 14.009 -0.576 6.224 1.00 0.00 C ATOM 529 CE LYS A 922 15.330 -1.323 6.112 1.00 0.00 C ATOM 530 NZ LYS A 922 15.351 -2.542 6.967 1.00 0.00 N ATOM 0 H LYS A 922 10.914 -3.268 5.692 1.00 0.00 H new ATOM 0 HA LYS A 922 9.455 -0.741 5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.560 0.276 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 922 11.318 -1.061 7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.934 -2.419 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.939 -1.410 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 922 14.082 0.376 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.806 -0.347 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 922 15.501 -1.605 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 922 16.147 -0.662 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 16.336 -2.831 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.890 -2.336 7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.842 -3.311 6.487 1.00 0.00 H new ATOM 544 N PHE A 923 11.102 -2.168 3.050 1.00 0.00 N ATOM 545 CA PHE A 923 11.440 -2.100 1.633 1.00 0.00 C ATOM 546 C PHE A 923 10.237 -2.465 0.769 1.00 0.00 C ATOM 547 O PHE A 923 9.243 -2.997 1.262 1.00 0.00 O ATOM 548 CB PHE A 923 12.610 -3.035 1.321 1.00 0.00 C ATOM 549 CG PHE A 923 13.941 -2.500 1.765 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.307 -1.194 1.482 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.827 -3.303 2.465 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.531 -0.697 1.890 1.00 0.00 C ATOM 553 CE2 PHE A 923 16.052 -2.812 2.876 1.00 0.00 C ATOM 554 CZ PHE A 923 16.405 -1.508 2.587 1.00 0.00 C ATOM 0 H PHE A 923 11.226 -3.089 3.470 1.00 0.00 H new ATOM 0 HA PHE A 923 11.732 -1.075 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.435 -3.996 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.641 -3.219 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.628 -0.556 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.557 -4.324 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.803 0.323 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.733 -3.447 3.423 1.00 0.00 H new ATOM 0 HZ PHE A 923 17.363 -1.123 2.906 1.00 0.00 H new ATOM 564 N ALA A 924 10.336 -2.176 -0.525 1.00 0.00 N ATOM 565 CA ALA A 924 9.258 -2.475 -1.459 1.00 0.00 C ATOM 566 C ALA A 924 9.255 -3.952 -1.840 1.00 0.00 C ATOM 567 O ALA A 924 10.294 -4.612 -1.813 1.00 0.00 O ATOM 568 CB ALA A 924 9.381 -1.607 -2.702 1.00 0.00 C ATOM 0 H ALA A 924 11.152 -1.735 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 924 8.311 -2.252 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.569 -1.841 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 924 9.325 -0.556 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 924 10.337 -1.801 -3.188 1.00 0.00 H new ATOM 574 N HIS A 925 8.081 -4.465 -2.192 1.00 0.00 N ATOM 575 CA HIS A 925 7.943 -5.865 -2.579 1.00 0.00 C ATOM 576 C HIS A 925 7.384 -5.986 -3.993 1.00 0.00 C ATOM 577 O HIS A 925 6.239 -6.391 -4.186 1.00 0.00 O ATOM 578 CB HIS A 925 7.034 -6.600 -1.594 1.00 0.00 C ATOM 579 CG HIS A 925 7.731 -7.026 -0.339 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.265 -8.037 0.475 1.00 0.00 N ATOM 581 CD2 HIS A 925 8.867 -6.573 0.241 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.083 -8.186 1.501 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.064 -7.310 1.382 1.00 0.00 N ATOM 0 H HIS A 925 7.211 -3.933 -2.217 1.00 0.00 H new ATOM 0 HA HIS A 925 8.933 -6.321 -2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.197 -5.953 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 925 6.617 -7.479 -2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 925 6.420 -8.584 0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.501 -5.779 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 925 7.969 -8.902 2.301 1.00 0.00 H new ATOM 591 N GLY A 926 8.202 -5.630 -4.980 1.00 0.00 N ATOM 592 CA GLY A 926 7.771 -5.706 -6.364 1.00 0.00 C ATOM 593 C GLY A 926 7.706 -4.343 -7.025 1.00 0.00 C ATOM 594 O GLY A 926 6.992 -3.455 -6.562 1.00 0.00 O ATOM 0 H GLY A 926 9.154 -5.291 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.457 -6.344 -6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.789 -6.177 -6.411 1.00 0.00 H new ATOM 598 N ASN A 927 8.454 -4.178 -8.111 1.00 0.00 N ATOM 599 CA ASN A 927 8.480 -2.913 -8.836 1.00 0.00 C ATOM 600 C ASN A 927 7.115 -2.231 -8.790 1.00 0.00 C ATOM 601 O ASN A 927 7.009 -1.055 -8.446 1.00 0.00 O ATOM 602 CB ASN A 927 8.898 -3.143 -10.290 1.00 0.00 C ATOM 603 CG ASN A 927 8.313 -4.418 -10.865 1.00 0.00 C ATOM 604 OD1 ASN A 927 7.094 -4.584 -10.923 1.00 0.00 O ATOM 605 ND2 ASN A 927 9.182 -5.327 -11.293 1.00 0.00 N ATOM 0 H ASN A 927 9.050 -4.904 -8.508 1.00 0.00 H new ATOM 0 HA ASN A 927 9.209 -2.262 -8.354 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.579 -2.295 -10.895 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.985 -3.186 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 927 8.848 -6.205 -11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 927 10.184 -5.147 -11.225 1.00 0.00 H new ATOM 612 N ALA A 928 6.074 -2.980 -9.137 1.00 0.00 N ATOM 613 CA ALA A 928 4.716 -2.450 -9.133 1.00 0.00 C ATOM 614 C ALA A 928 4.366 -1.848 -7.776 1.00 0.00 C ATOM 615 O ALA A 928 3.985 -0.682 -7.685 1.00 0.00 O ATOM 616 CB ALA A 928 3.722 -3.542 -9.500 1.00 0.00 C ATOM 0 H ALA A 928 6.145 -3.956 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 928 4.660 -1.657 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.712 -3.132 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.952 -3.924 -10.495 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.789 -4.354 -8.775 1.00 0.00 H new ATOM 622 N GLU A 929 4.498 -2.652 -6.725 1.00 0.00 N ATOM 623 CA GLU A 929 4.194 -2.197 -5.374 1.00 0.00 C ATOM 624 C GLU A 929 4.837 -0.841 -5.098 1.00 0.00 C ATOM 625 O GLU A 929 4.172 0.096 -4.654 1.00 0.00 O ATOM 626 CB GLU A 929 4.678 -3.222 -4.346 1.00 0.00 C ATOM 627 CG GLU A 929 4.000 -3.094 -2.992 1.00 0.00 C ATOM 628 CD GLU A 929 4.492 -4.123 -1.994 1.00 0.00 C ATOM 629 OE1 GLU A 929 4.169 -5.317 -2.165 1.00 0.00 O ATOM 630 OE2 GLU A 929 5.199 -3.735 -1.040 1.00 0.00 O ATOM 0 H GLU A 929 4.813 -3.620 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 929 3.113 -2.090 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 929 4.505 -4.225 -4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.755 -3.112 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 929 4.176 -2.095 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.923 -3.201 -3.118 1.00 0.00 H new ATOM 637 N LEU A 930 6.135 -0.743 -5.365 1.00 0.00 N ATOM 638 CA LEU A 930 6.870 0.497 -5.146 1.00 0.00 C ATOM 639 C LEU A 930 6.109 1.689 -5.717 1.00 0.00 C ATOM 640 O LEU A 930 5.821 2.654 -5.008 1.00 0.00 O ATOM 641 CB LEU A 930 8.258 0.411 -5.783 1.00 0.00 C ATOM 642 CG LEU A 930 9.132 1.660 -5.662 1.00 0.00 C ATOM 643 CD1 LEU A 930 9.666 1.802 -4.245 1.00 0.00 C ATOM 644 CD2 LEU A 930 10.277 1.609 -6.663 1.00 0.00 C ATOM 0 H LEU A 930 6.700 -1.508 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 930 6.979 0.640 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.791 -0.426 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 930 8.136 0.179 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 930 8.519 2.533 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 930 10.286 2.696 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.832 1.885 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 930 10.264 0.926 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.888 2.506 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.890 0.729 -6.470 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.874 1.556 -7.674 1.00 0.00 H new ATOM 656 N HIS A 931 5.784 1.615 -7.004 1.00 0.00 N ATOM 657 CA HIS A 931 5.053 2.687 -7.671 1.00 0.00 C ATOM 658 C HIS A 931 3.935 3.219 -6.779 1.00 0.00 C ATOM 659 O HIS A 931 3.827 4.425 -6.558 1.00 0.00 O ATOM 660 CB HIS A 931 4.471 2.190 -8.995 1.00 0.00 C ATOM 661 CG HIS A 931 5.461 1.452 -9.844 1.00 0.00 C ATOM 662 ND1 HIS A 931 5.090 0.593 -10.857 1.00 0.00 N ATOM 663 CD2 HIS A 931 6.814 1.450 -9.827 1.00 0.00 C ATOM 664 CE1 HIS A 931 6.172 0.093 -11.425 1.00 0.00 C ATOM 665 NE2 HIS A 931 7.232 0.597 -10.819 1.00 0.00 N ATOM 0 H HIS A 931 6.015 0.824 -7.606 1.00 0.00 H new ATOM 0 HA HIS A 931 5.752 3.499 -7.872 1.00 0.00 H new ATOM 0 HB2 HIS A 931 3.624 1.536 -8.788 1.00 0.00 H new ATOM 0 HB3 HIS A 931 4.087 3.042 -9.556 1.00 0.00 H new ATOM 0 HD2 HIS A 931 7.447 2.014 -9.158 1.00 0.00 H new ATOM 0 HE1 HIS A 931 6.188 -0.609 -12.246 1.00 0.00 H new ATOM 0 HE2 HIS A 931 8.203 0.387 -11.050 1.00 0.00 H new ATOM 673 N GLU A 932 3.107 2.312 -6.271 1.00 0.00 N ATOM 674 CA GLU A 932 1.997 2.692 -5.404 1.00 0.00 C ATOM 675 C GLU A 932 2.506 3.347 -4.124 1.00 0.00 C ATOM 676 O GLU A 932 1.966 4.358 -3.675 1.00 0.00 O ATOM 677 CB GLU A 932 1.148 1.467 -5.060 1.00 0.00 C ATOM 678 CG GLU A 932 0.284 0.982 -6.212 1.00 0.00 C ATOM 679 CD GLU A 932 1.103 0.449 -7.372 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.512 1.257 -8.231 1.00 0.00 O ATOM 681 OE2 GLU A 932 1.336 -0.777 -7.419 1.00 0.00 O ATOM 0 H GLU A 932 3.183 1.310 -6.444 1.00 0.00 H new ATOM 0 HA GLU A 932 1.381 3.414 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.805 0.657 -4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.507 1.706 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.385 0.199 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -0.343 1.802 -6.561 1.00 0.00 H new ATOM 688 N TRP A 933 3.548 2.765 -3.542 1.00 0.00 N ATOM 689 CA TRP A 933 4.130 3.292 -2.313 1.00 0.00 C ATOM 690 C TRP A 933 4.453 4.775 -2.455 1.00 0.00 C ATOM 691 O TRP A 933 3.964 5.601 -1.686 1.00 0.00 O ATOM 692 CB TRP A 933 5.396 2.514 -1.950 1.00 0.00 C ATOM 693 CG TRP A 933 5.135 1.330 -1.069 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.953 0.661 -0.924 1.00 0.00 C ATOM 695 CD2 TRP A 933 6.075 0.678 -0.209 1.00 0.00 C ATOM 696 NE1 TRP A 933 4.102 -0.368 -0.027 1.00 0.00 N ATOM 697 CE2 TRP A 933 5.395 -0.380 0.426 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.426 0.882 0.085 1.00 0.00 C ATOM 699 CZ2 TRP A 933 6.020 -1.227 1.337 1.00 0.00 C ATOM 700 CZ3 TRP A 933 8.045 0.040 0.989 1.00 0.00 C ATOM 701 CH2 TRP A 933 7.343 -1.004 1.606 1.00 0.00 C ATOM 0 H TRP A 933 4.007 1.928 -3.901 1.00 0.00 H new ATOM 0 HA TRP A 933 3.398 3.174 -1.514 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.881 2.176 -2.866 1.00 0.00 H new ATOM 0 HB3 TRP A 933 6.094 3.184 -1.448 1.00 0.00 H new ATOM 0 HD1 TRP A 933 3.036 0.905 -1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 933 3.369 -1.018 0.256 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.976 1.683 -0.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.480 -2.031 1.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 9.088 0.189 1.224 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.856 -1.645 2.307 1.00 0.00 H new ATOM 712 N GLU A 934 5.278 5.104 -3.444 1.00 0.00 N ATOM 713 CA GLU A 934 5.665 6.489 -3.685 1.00 0.00 C ATOM 714 C GLU A 934 4.468 7.423 -3.534 1.00 0.00 C ATOM 715 O GLU A 934 4.604 8.552 -3.064 1.00 0.00 O ATOM 716 CB GLU A 934 6.268 6.637 -5.084 1.00 0.00 C ATOM 717 CG GLU A 934 7.722 6.202 -5.169 1.00 0.00 C ATOM 718 CD GLU A 934 8.655 7.138 -4.426 1.00 0.00 C ATOM 719 OE1 GLU A 934 8.789 6.986 -3.193 1.00 0.00 O ATOM 720 OE2 GLU A 934 9.252 8.021 -5.076 1.00 0.00 O ATOM 0 H GLU A 934 5.691 4.431 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 934 6.414 6.764 -2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 934 5.680 6.049 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.190 7.679 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.821 5.196 -4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 934 8.022 6.152 -6.216 1.00 0.00 H new ATOM 727 N GLU A 935 3.296 6.943 -3.938 1.00 0.00 N ATOM 728 CA GLU A 935 2.075 7.735 -3.849 1.00 0.00 C ATOM 729 C GLU A 935 1.536 7.746 -2.421 1.00 0.00 C ATOM 730 O GLU A 935 1.399 8.803 -1.806 1.00 0.00 O ATOM 731 CB GLU A 935 1.012 7.185 -4.802 1.00 0.00 C ATOM 732 CG GLU A 935 1.449 7.172 -6.258 1.00 0.00 C ATOM 733 CD GLU A 935 1.557 8.566 -6.847 1.00 0.00 C ATOM 734 OE1 GLU A 935 0.506 9.154 -7.176 1.00 0.00 O ATOM 735 OE2 GLU A 935 2.693 9.067 -6.978 1.00 0.00 O ATOM 0 H GLU A 935 3.166 6.010 -4.330 1.00 0.00 H new ATOM 0 HA GLU A 935 2.316 8.758 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.755 6.170 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 935 0.107 7.785 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.414 6.671 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.737 6.589 -6.842 1.00 0.00 H new ATOM 742 N ARG A 936 1.231 6.561 -1.901 1.00 0.00 N ATOM 743 CA ARG A 936 0.706 6.433 -0.547 1.00 0.00 C ATOM 744 C ARG A 936 1.372 7.435 0.391 1.00 0.00 C ATOM 745 O ARG A 936 0.699 8.132 1.151 1.00 0.00 O ATOM 746 CB ARG A 936 0.919 5.011 -0.027 1.00 0.00 C ATOM 747 CG ARG A 936 -0.114 4.016 -0.533 1.00 0.00 C ATOM 748 CD ARG A 936 0.233 2.594 -0.119 1.00 0.00 C ATOM 749 NE ARG A 936 -0.960 1.779 0.093 1.00 0.00 N ATOM 750 CZ ARG A 936 -1.809 1.455 -0.875 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.598 1.874 -2.116 1.00 0.00 N ATOM 752 NH2 ARG A 936 -2.873 0.709 -0.604 1.00 0.00 N ATOM 0 H ARG A 936 1.339 5.676 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.363 6.645 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.912 4.671 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.895 5.024 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.097 4.280 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 936 -0.176 4.075 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.854 2.134 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.824 2.617 0.797 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.151 1.440 1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -0.781 2.447 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.252 1.623 -2.857 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.039 0.384 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.525 0.461 -1.348 1.00 0.00 H new ATOM 766 N ARG A 937 2.698 7.500 0.334 1.00 0.00 N ATOM 767 CA ARG A 937 3.455 8.415 1.180 1.00 0.00 C ATOM 768 C ARG A 937 3.248 9.861 0.739 1.00 0.00 C ATOM 769 O ARG A 937 3.122 10.761 1.569 1.00 0.00 O ATOM 770 CB ARG A 937 4.944 8.067 1.139 1.00 0.00 C ATOM 771 CG ARG A 937 5.745 8.682 2.274 1.00 0.00 C ATOM 772 CD ARG A 937 7.123 8.048 2.392 1.00 0.00 C ATOM 773 NE ARG A 937 8.045 8.882 3.159 1.00 0.00 N ATOM 774 CZ ARG A 937 8.587 10.001 2.690 1.00 0.00 C ATOM 775 NH1 ARG A 937 8.300 10.418 1.465 1.00 0.00 N ATOM 776 NH2 ARG A 937 9.418 10.705 3.448 1.00 0.00 N ATOM 0 H ARG A 937 3.270 6.930 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 937 3.092 8.309 2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.056 6.983 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.361 8.402 0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.850 9.754 2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 937 5.204 8.557 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 937 7.034 7.072 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 937 7.531 7.879 1.395 1.00 0.00 H new ATOM 0 HE ARG A 937 8.286 8.590 4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 937 7.662 9.880 0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 937 8.718 11.277 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 937 9.641 10.387 4.391 1.00 0.00 H new ATOM 0 HH22 ARG A 937 9.834 11.564 3.087 1.00 0.00 H new ATOM 790 N ASP A 938 3.214 10.075 -0.572 1.00 0.00 N ATOM 791 CA ASP A 938 3.022 11.411 -1.123 1.00 0.00 C ATOM 792 C ASP A 938 1.704 12.012 -0.645 1.00 0.00 C ATOM 793 O ASP A 938 1.470 13.212 -0.785 1.00 0.00 O ATOM 794 CB ASP A 938 3.051 11.365 -2.652 1.00 0.00 C ATOM 795 CG ASP A 938 3.575 12.650 -3.261 1.00 0.00 C ATOM 796 OD1 ASP A 938 4.720 13.035 -2.941 1.00 0.00 O ATOM 797 OD2 ASP A 938 2.841 13.271 -4.057 1.00 0.00 O ATOM 0 H ASP A 938 3.317 9.341 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 938 3.838 12.043 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 938 3.675 10.532 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 938 2.045 11.173 -3.026 1.00 0.00 H new