USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 300 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 919 ASN : amide:sc= 0.00735 K(o=0.18,f=-0.59) USER MOD Set 1.2: A 920 SER OG : rot 49:sc= 0.173 USER MOD Set 2.1: A 907 CYS SG : rot -150:sc= -0.0675 USER MOD Set 2.2: A 915 CYS SG : rot 85:sc= -2.86 USER MOD Set 2.3: A 921 CYS SG : rot 141:sc= -2.88 USER MOD Set 2.4: A 925 HIS : no HD1:sc= -2.76 K(o=-8.6,f=-7.7) USER MOD Single : A 897 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 901 THR OG1 : rot 110:sc= 0 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 167:sc= -1.07 (180deg=-1.29) USER MOD Single : A 912 ASN : amide:sc= -0.634! X(o=-0.63!,f=-0.94) USER MOD Single : A 914 THR OG1 : rot 180:sc= 0 USER MOD Single : A 922 LYS NZ :NH3+ -165:sc= -0.0172 (180deg=-0.218) USER MOD Single : A 927 ASN : amide:sc= -0.909 K(o=-0.91,f=0.14) USER MOD Single : A 931 HIS : no HD1:sc= -2.69 X(o=-2.7,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 155 N HIS A 897 -2.590 -1.822 -0.949 1.00 0.00 N ATOM 156 CA HIS A 897 -1.334 -2.454 -0.564 1.00 0.00 C ATOM 157 C HIS A 897 -0.754 -1.793 0.683 1.00 0.00 C ATOM 158 O HIS A 897 -1.066 -0.642 0.990 1.00 0.00 O ATOM 159 CB HIS A 897 -0.326 -2.376 -1.712 1.00 0.00 C ATOM 160 CG HIS A 897 -0.629 -3.316 -2.838 1.00 0.00 C ATOM 161 ND1 HIS A 897 -0.846 -2.894 -4.133 1.00 0.00 N ATOM 162 CD2 HIS A 897 -0.747 -4.664 -2.859 1.00 0.00 C ATOM 163 CE1 HIS A 897 -1.087 -3.941 -4.900 1.00 0.00 C ATOM 164 NE2 HIS A 897 -1.033 -5.028 -4.151 1.00 0.00 N ATOM 0 HA HIS A 897 -1.536 -3.501 -0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 897 -0.303 -1.356 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 897 0.670 -2.593 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 897 -0.637 -5.330 -2.016 1.00 0.00 H new ATOM 0 HE1 HIS A 897 -1.293 -3.914 -5.960 1.00 0.00 H new ATOM 0 HE2 HIS A 897 -1.180 -5.982 -4.480 1.00 0.00 H new ATOM 172 N ARG A 898 0.092 -2.528 1.398 1.00 0.00 N ATOM 173 CA ARG A 898 0.713 -2.014 2.612 1.00 0.00 C ATOM 174 C ARG A 898 1.211 -0.586 2.406 1.00 0.00 C ATOM 175 O ARG A 898 1.480 -0.168 1.279 1.00 0.00 O ATOM 176 CB ARG A 898 1.875 -2.914 3.036 1.00 0.00 C ATOM 177 CG ARG A 898 2.733 -3.389 1.875 1.00 0.00 C ATOM 178 CD ARG A 898 2.318 -4.774 1.405 1.00 0.00 C ATOM 179 NE ARG A 898 2.473 -4.931 -0.039 1.00 0.00 N ATOM 180 CZ ARG A 898 2.646 -6.105 -0.636 1.00 0.00 C ATOM 181 NH1 ARG A 898 2.686 -7.219 0.083 1.00 0.00 N ATOM 182 NH2 ARG A 898 2.779 -6.167 -1.955 1.00 0.00 N ATOM 0 H ARG A 898 0.363 -3.481 1.157 1.00 0.00 H new ATOM 0 HA ARG A 898 -0.040 -2.008 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 898 2.503 -2.373 3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 898 1.478 -3.782 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 898 2.651 -2.683 1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 898 3.780 -3.405 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 898 2.918 -5.526 1.918 1.00 0.00 H new ATOM 0 HD3 ARG A 898 1.279 -4.954 1.680 1.00 0.00 H new ATOM 0 HE ARG A 898 2.447 -4.093 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 898 2.584 -7.176 1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 898 2.819 -8.119 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 898 2.748 -5.313 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 898 2.912 -7.069 -2.412 1.00 0.00 H new ATOM 196 N PHE A 899 1.330 0.157 3.501 1.00 0.00 N ATOM 197 CA PHE A 899 1.794 1.538 3.440 1.00 0.00 C ATOM 198 C PHE A 899 3.318 1.603 3.489 1.00 0.00 C ATOM 199 O PHE A 899 3.973 0.858 4.218 1.00 0.00 O ATOM 200 CB PHE A 899 1.200 2.349 4.594 1.00 0.00 C ATOM 201 CG PHE A 899 1.461 3.824 4.487 1.00 0.00 C ATOM 202 CD1 PHE A 899 2.745 4.326 4.626 1.00 0.00 C ATOM 203 CD2 PHE A 899 0.422 4.709 4.247 1.00 0.00 C ATOM 204 CE1 PHE A 899 2.988 5.683 4.527 1.00 0.00 C ATOM 205 CE2 PHE A 899 0.660 6.067 4.147 1.00 0.00 C ATOM 206 CZ PHE A 899 1.944 6.555 4.288 1.00 0.00 C ATOM 0 H PHE A 899 1.112 -0.174 4.441 1.00 0.00 H new ATOM 0 HA PHE A 899 1.460 1.966 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 899 0.124 2.180 4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 899 1.612 1.983 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 899 3.565 3.649 4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 899 -0.585 4.334 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 899 3.994 6.061 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 899 -0.158 6.746 3.959 1.00 0.00 H new ATOM 0 HZ PHE A 899 2.131 7.616 4.212 1.00 0.00 H new ATOM 216 N PRO A 900 3.896 2.516 2.694 1.00 0.00 N ATOM 217 CA PRO A 900 5.349 2.700 2.628 1.00 0.00 C ATOM 218 C PRO A 900 5.914 3.312 3.906 1.00 0.00 C ATOM 219 O PRO A 900 5.954 4.533 4.057 1.00 0.00 O ATOM 220 CB PRO A 900 5.531 3.661 1.450 1.00 0.00 C ATOM 221 CG PRO A 900 4.243 4.404 1.365 1.00 0.00 C ATOM 222 CD PRO A 900 3.177 3.437 1.799 1.00 0.00 C ATOM 0 HA PRO A 900 5.875 1.753 2.509 1.00 0.00 H new ATOM 0 HB2 PRO A 900 6.368 4.338 1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 900 5.738 3.120 0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 900 4.257 5.284 2.008 1.00 0.00 H new ATOM 0 HG3 PRO A 900 4.061 4.755 0.349 1.00 0.00 H new ATOM 0 HD2 PRO A 900 2.361 3.943 2.315 1.00 0.00 H new ATOM 0 HD3 PRO A 900 2.740 2.912 0.949 1.00 0.00 H new ATOM 230 N THR A 901 6.351 2.455 4.824 1.00 0.00 N ATOM 231 CA THR A 901 6.913 2.911 6.089 1.00 0.00 C ATOM 232 C THR A 901 7.640 4.240 5.920 1.00 0.00 C ATOM 233 O THR A 901 7.576 5.108 6.790 1.00 0.00 O ATOM 234 CB THR A 901 7.891 1.875 6.674 1.00 0.00 C ATOM 235 OG1 THR A 901 8.931 1.595 5.731 1.00 0.00 O ATOM 236 CG2 THR A 901 7.165 0.587 7.033 1.00 0.00 C ATOM 0 H THR A 901 6.326 1.441 4.715 1.00 0.00 H new ATOM 0 HA THR A 901 6.078 3.042 6.778 1.00 0.00 H new ATOM 0 HB THR A 901 8.327 2.293 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 901 9.776 1.970 6.055 1.00 0.00 H new ATOM 0 HG21 THR A 901 7.876 -0.129 7.444 1.00 0.00 H new ATOM 0 HG22 THR A 901 6.394 0.798 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 901 6.704 0.168 6.139 1.00 0.00 H new ATOM 244 N GLY A 902 8.330 4.393 4.794 1.00 0.00 N ATOM 245 CA GLY A 902 9.059 5.621 4.532 1.00 0.00 C ATOM 246 C GLY A 902 10.184 5.426 3.535 1.00 0.00 C ATOM 247 O GLY A 902 10.672 6.389 2.943 1.00 0.00 O ATOM 0 H GLY A 902 8.397 3.689 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 902 8.369 6.376 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 902 9.469 6.003 5.467 1.00 0.00 H new ATOM 251 N TYR A 903 10.598 4.177 3.350 1.00 0.00 N ATOM 252 CA TYR A 903 11.676 3.859 2.421 1.00 0.00 C ATOM 253 C TYR A 903 11.159 3.797 0.987 1.00 0.00 C ATOM 254 O TYR A 903 10.202 3.082 0.690 1.00 0.00 O ATOM 255 CB TYR A 903 12.326 2.527 2.799 1.00 0.00 C ATOM 256 CG TYR A 903 13.083 2.572 4.107 1.00 0.00 C ATOM 257 CD1 TYR A 903 12.425 2.824 5.304 1.00 0.00 C ATOM 258 CD2 TYR A 903 14.456 2.361 4.145 1.00 0.00 C ATOM 259 CE1 TYR A 903 13.113 2.866 6.502 1.00 0.00 C ATOM 260 CE2 TYR A 903 15.152 2.401 5.338 1.00 0.00 C ATOM 261 CZ TYR A 903 14.476 2.654 6.513 1.00 0.00 C ATOM 262 OH TYR A 903 15.164 2.694 7.704 1.00 0.00 O ATOM 0 H TYR A 903 10.203 3.369 3.831 1.00 0.00 H new ATOM 0 HA TYR A 903 12.422 4.651 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 903 11.554 1.760 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 903 13.009 2.227 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 903 11.358 2.990 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 903 14.988 2.162 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 903 12.587 3.064 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 903 16.219 2.235 5.350 1.00 0.00 H new ATOM 0 HH TYR A 903 16.115 2.523 7.538 1.00 0.00 H new ATOM 272 N PHE A 904 11.800 4.552 0.101 1.00 0.00 N ATOM 273 CA PHE A 904 11.406 4.585 -1.303 1.00 0.00 C ATOM 274 C PHE A 904 12.280 3.650 -2.135 1.00 0.00 C ATOM 275 O PHE A 904 12.825 4.046 -3.165 1.00 0.00 O ATOM 276 CB PHE A 904 11.502 6.011 -1.848 1.00 0.00 C ATOM 277 CG PHE A 904 11.266 6.104 -3.329 1.00 0.00 C ATOM 278 CD1 PHE A 904 10.276 5.346 -3.935 1.00 0.00 C ATOM 279 CD2 PHE A 904 12.034 6.948 -4.115 1.00 0.00 C ATOM 280 CE1 PHE A 904 10.056 5.429 -5.297 1.00 0.00 C ATOM 281 CE2 PHE A 904 11.818 7.035 -5.477 1.00 0.00 C ATOM 282 CZ PHE A 904 10.829 6.274 -6.069 1.00 0.00 C ATOM 0 H PHE A 904 12.594 5.149 0.330 1.00 0.00 H new ATOM 0 HA PHE A 904 10.372 4.246 -1.373 1.00 0.00 H new ATOM 0 HB2 PHE A 904 10.775 6.638 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 904 12.489 6.413 -1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 904 9.670 4.683 -3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 904 12.810 7.544 -3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 904 9.281 4.834 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 904 12.422 7.698 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 904 10.660 6.340 -7.134 1.00 0.00 H new ATOM 292 N SER A 905 12.408 2.408 -1.679 1.00 0.00 N ATOM 293 CA SER A 905 13.219 1.418 -2.378 1.00 0.00 C ATOM 294 C SER A 905 12.589 0.032 -2.278 1.00 0.00 C ATOM 295 O SER A 905 11.626 -0.172 -1.538 1.00 0.00 O ATOM 296 CB SER A 905 14.636 1.389 -1.801 1.00 0.00 C ATOM 297 OG SER A 905 15.584 1.044 -2.796 1.00 0.00 O ATOM 0 H SER A 905 11.961 2.064 -0.829 1.00 0.00 H new ATOM 0 HA SER A 905 13.268 1.701 -3.429 1.00 0.00 H new ATOM 0 HB2 SER A 905 14.882 2.365 -1.383 1.00 0.00 H new ATOM 0 HB3 SER A 905 14.684 0.670 -0.983 1.00 0.00 H new ATOM 0 HG SER A 905 16.482 1.034 -2.403 1.00 0.00 H new ATOM 303 N ILE A 906 13.140 -0.917 -3.027 1.00 0.00 N ATOM 304 CA ILE A 906 12.633 -2.284 -3.023 1.00 0.00 C ATOM 305 C ILE A 906 13.526 -3.198 -2.191 1.00 0.00 C ATOM 306 O ILE A 906 14.748 -3.043 -2.174 1.00 0.00 O ATOM 307 CB ILE A 906 12.526 -2.849 -4.451 1.00 0.00 C ATOM 308 CG1 ILE A 906 11.254 -2.339 -5.131 1.00 0.00 C ATOM 309 CG2 ILE A 906 12.544 -4.370 -4.422 1.00 0.00 C ATOM 310 CD1 ILE A 906 11.019 -2.938 -6.500 1.00 0.00 C ATOM 0 H ILE A 906 13.938 -0.765 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 906 11.638 -2.251 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 906 13.386 -2.506 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 906 10.397 -2.561 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 906 11.311 -1.254 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 906 12.468 -4.754 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 906 13.476 -4.714 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 906 11.702 -4.733 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 906 10.100 -2.531 -6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 906 11.857 -2.694 -7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 906 10.930 -4.021 -6.413 1.00 0.00 H new ATOM 322 N CYS A 907 12.909 -4.153 -1.504 1.00 0.00 N ATOM 323 CA CYS A 907 13.647 -5.095 -0.671 1.00 0.00 C ATOM 324 C CYS A 907 14.558 -5.976 -1.522 1.00 0.00 C ATOM 325 O CYS A 907 14.177 -6.414 -2.607 1.00 0.00 O ATOM 326 CB CYS A 907 12.679 -5.967 0.130 1.00 0.00 C ATOM 327 SG CYS A 907 13.444 -6.823 1.544 1.00 0.00 S ATOM 0 H CYS A 907 11.899 -4.295 -1.508 1.00 0.00 H new ATOM 0 HA CYS A 907 14.266 -4.523 0.020 1.00 0.00 H new ATOM 0 HB2 CYS A 907 11.863 -5.344 0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 907 12.240 -6.710 -0.536 1.00 0.00 H new ATOM 0 HG CYS A 907 12.821 -7.943 1.762 1.00 0.00 H new ATOM 332 N ASP A 908 15.761 -6.231 -1.020 1.00 0.00 N ATOM 333 CA ASP A 908 16.726 -7.060 -1.733 1.00 0.00 C ATOM 334 C ASP A 908 16.388 -8.540 -1.580 1.00 0.00 C ATOM 335 O ASP A 908 16.567 -9.327 -2.510 1.00 0.00 O ATOM 336 CB ASP A 908 18.141 -6.791 -1.217 1.00 0.00 C ATOM 337 CG ASP A 908 18.476 -7.616 0.010 1.00 0.00 C ATOM 338 OD1 ASP A 908 18.472 -8.860 -0.092 1.00 0.00 O ATOM 339 OD2 ASP A 908 18.742 -7.017 1.073 1.00 0.00 O ATOM 0 H ASP A 908 16.091 -5.876 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 908 16.678 -6.802 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 908 18.860 -7.010 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 908 18.242 -5.732 -0.978 1.00 0.00 H new ATOM 344 N ARG A 909 15.901 -8.911 -0.401 1.00 0.00 N ATOM 345 CA ARG A 909 15.540 -10.297 -0.125 1.00 0.00 C ATOM 346 C ARG A 909 14.344 -10.726 -0.970 1.00 0.00 C ATOM 347 O ARG A 909 14.384 -11.755 -1.644 1.00 0.00 O ATOM 348 CB ARG A 909 15.221 -10.478 1.360 1.00 0.00 C ATOM 349 CG ARG A 909 16.417 -10.258 2.271 1.00 0.00 C ATOM 350 CD ARG A 909 16.528 -8.805 2.706 1.00 0.00 C ATOM 351 NE ARG A 909 17.242 -8.665 3.972 1.00 0.00 N ATOM 352 CZ ARG A 909 18.548 -8.867 4.105 1.00 0.00 C ATOM 353 NH1 ARG A 909 19.279 -9.215 3.055 1.00 0.00 N ATOM 354 NH2 ARG A 909 19.126 -8.720 5.290 1.00 0.00 N ATOM 0 H ARG A 909 15.747 -8.272 0.379 1.00 0.00 H new ATOM 0 HA ARG A 909 16.391 -10.926 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 909 14.429 -9.783 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 909 14.834 -11.484 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 909 16.328 -10.896 3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 909 17.329 -10.554 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 909 17.044 -8.234 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 909 15.530 -8.379 2.804 1.00 0.00 H new ATOM 0 HE ARG A 909 16.709 -8.397 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 909 18.839 -9.328 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 909 20.282 -9.369 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 909 18.567 -8.452 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 909 20.129 -8.875 5.391 1.00 0.00 H new ATOM 368 N TYR A 910 13.281 -9.930 -0.927 1.00 0.00 N ATOM 369 CA TYR A 910 12.072 -10.228 -1.685 1.00 0.00 C ATOM 370 C TYR A 910 12.386 -10.391 -3.170 1.00 0.00 C ATOM 371 O TYR A 910 12.066 -11.414 -3.774 1.00 0.00 O ATOM 372 CB TYR A 910 11.036 -9.120 -1.491 1.00 0.00 C ATOM 373 CG TYR A 910 9.802 -9.288 -2.348 1.00 0.00 C ATOM 374 CD1 TYR A 910 8.760 -10.115 -1.945 1.00 0.00 C ATOM 375 CD2 TYR A 910 9.677 -8.620 -3.560 1.00 0.00 C ATOM 376 CE1 TYR A 910 7.631 -10.272 -2.725 1.00 0.00 C ATOM 377 CE2 TYR A 910 8.551 -8.770 -4.345 1.00 0.00 C ATOM 378 CZ TYR A 910 7.530 -9.597 -3.924 1.00 0.00 C ATOM 379 OH TYR A 910 6.407 -9.750 -4.704 1.00 0.00 O ATOM 0 H TYR A 910 13.232 -9.074 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 910 11.663 -11.167 -1.313 1.00 0.00 H new ATOM 0 HB2 TYR A 910 10.739 -9.092 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 910 11.497 -8.159 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 910 8.834 -10.644 -1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 910 10.474 -7.972 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 910 6.831 -10.920 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 910 8.470 -8.243 -5.284 1.00 0.00 H new ATOM 0 HH TYR A 910 6.495 -9.205 -5.514 1.00 0.00 H new ATOM 389 N MET A 911 13.016 -9.375 -3.749 1.00 0.00 N ATOM 390 CA MET A 911 13.376 -9.405 -5.162 1.00 0.00 C ATOM 391 C MET A 911 14.187 -10.655 -5.490 1.00 0.00 C ATOM 392 O MET A 911 13.998 -11.271 -6.538 1.00 0.00 O ATOM 393 CB MET A 911 14.173 -8.154 -5.534 1.00 0.00 C ATOM 394 CG MET A 911 13.301 -6.965 -5.905 1.00 0.00 C ATOM 395 SD MET A 911 12.389 -7.224 -7.439 1.00 0.00 S ATOM 396 CE MET A 911 10.701 -7.151 -6.846 1.00 0.00 C ATOM 0 H MET A 911 13.288 -8.521 -3.262 1.00 0.00 H new ATOM 0 HA MET A 911 12.455 -9.427 -5.745 1.00 0.00 H new ATOM 0 HB2 MET A 911 14.812 -7.878 -4.695 1.00 0.00 H new ATOM 0 HB3 MET A 911 14.830 -8.388 -6.372 1.00 0.00 H new ATOM 0 HG2 MET A 911 12.596 -6.770 -5.097 1.00 0.00 H new ATOM 0 HG3 MET A 911 13.926 -6.078 -6.004 1.00 0.00 H new ATOM 0 HE1 MET A 911 10.021 -7.062 -7.693 1.00 0.00 H new ATOM 0 HE2 MET A 911 10.471 -8.060 -6.290 1.00 0.00 H new ATOM 0 HE3 MET A 911 10.582 -6.286 -6.193 1.00 0.00 H new ATOM 406 N ASN A 912 15.090 -11.023 -4.587 1.00 0.00 N ATOM 407 CA ASN A 912 15.931 -12.199 -4.781 1.00 0.00 C ATOM 408 C ASN A 912 15.082 -13.463 -4.882 1.00 0.00 C ATOM 409 O ASN A 912 15.242 -14.258 -5.807 1.00 0.00 O ATOM 410 CB ASN A 912 16.931 -12.332 -3.631 1.00 0.00 C ATOM 411 CG ASN A 912 18.232 -11.606 -3.909 1.00 0.00 C ATOM 412 OD1 ASN A 912 19.308 -12.205 -3.885 1.00 0.00 O ATOM 413 ND2 ASN A 912 18.140 -10.308 -4.174 1.00 0.00 N ATOM 0 H ASN A 912 15.258 -10.524 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 912 16.478 -12.074 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 912 16.485 -11.937 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 912 17.138 -13.387 -3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 912 18.982 -9.766 -4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 912 17.227 -9.853 -4.183 1.00 0.00 H new ATOM 420 N GLY A 913 14.178 -13.640 -3.923 1.00 0.00 N ATOM 421 CA GLY A 913 13.318 -14.809 -3.922 1.00 0.00 C ATOM 422 C GLY A 913 12.383 -14.840 -2.729 1.00 0.00 C ATOM 423 O GLY A 913 11.165 -14.934 -2.886 1.00 0.00 O ATOM 0 H GLY A 913 14.026 -12.995 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 913 12.731 -14.825 -4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 913 13.933 -15.709 -3.921 1.00 0.00 H new ATOM 427 N THR A 914 12.953 -14.762 -1.531 1.00 0.00 N ATOM 428 CA THR A 914 12.163 -14.784 -0.306 1.00 0.00 C ATOM 429 C THR A 914 12.646 -13.726 0.679 1.00 0.00 C ATOM 430 O THR A 914 13.845 -13.467 0.790 1.00 0.00 O ATOM 431 CB THR A 914 12.219 -16.166 0.373 1.00 0.00 C ATOM 432 OG1 THR A 914 11.356 -16.185 1.516 1.00 0.00 O ATOM 433 CG2 THR A 914 13.640 -16.502 0.799 1.00 0.00 C ATOM 0 H THR A 914 13.959 -14.683 -1.383 1.00 0.00 H new ATOM 0 HA THR A 914 11.133 -14.568 -0.590 1.00 0.00 H new ATOM 0 HB THR A 914 11.886 -16.914 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 914 11.396 -17.067 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 914 13.655 -17.482 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 914 14.289 -16.515 -0.077 1.00 0.00 H new ATOM 0 HG23 THR A 914 13.996 -15.750 1.503 1.00 0.00 H new ATOM 441 N CYS A 915 11.707 -13.117 1.395 1.00 0.00 N ATOM 442 CA CYS A 915 12.036 -12.087 2.372 1.00 0.00 C ATOM 443 C CYS A 915 11.575 -12.494 3.768 1.00 0.00 C ATOM 444 O CYS A 915 10.526 -13.114 3.947 1.00 0.00 O ATOM 445 CB CYS A 915 11.392 -10.756 1.978 1.00 0.00 C ATOM 446 SG CYS A 915 11.192 -9.588 3.361 1.00 0.00 S ATOM 0 H CYS A 915 10.710 -13.320 1.316 1.00 0.00 H new ATOM 0 HA CYS A 915 13.119 -11.968 2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 915 11.999 -10.286 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 915 10.414 -10.954 1.539 1.00 0.00 H new ATOM 0 HG CYS A 915 12.293 -8.917 3.525 1.00 0.00 H new ATOM 451 N PRO A 916 12.376 -12.137 4.783 1.00 0.00 N ATOM 452 CA PRO A 916 12.070 -12.454 6.182 1.00 0.00 C ATOM 453 C PRO A 916 10.883 -11.658 6.710 1.00 0.00 C ATOM 454 O PRO A 916 10.024 -12.197 7.408 1.00 0.00 O ATOM 455 CB PRO A 916 13.351 -12.060 6.922 1.00 0.00 C ATOM 456 CG PRO A 916 13.984 -11.023 6.060 1.00 0.00 C ATOM 457 CD PRO A 916 13.641 -11.397 4.644 1.00 0.00 C ATOM 0 HA PRO A 916 11.790 -13.499 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 916 13.130 -11.668 7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 916 14.010 -12.918 7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 916 13.607 -10.030 6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 916 15.064 -10.999 6.207 1.00 0.00 H new ATOM 0 HD2 PRO A 916 13.524 -10.516 4.013 1.00 0.00 H new ATOM 0 HD3 PRO A 916 14.419 -12.012 4.191 1.00 0.00 H new ATOM 465 N GLU A 917 10.840 -10.372 6.373 1.00 0.00 N ATOM 466 CA GLU A 917 9.757 -9.503 6.815 1.00 0.00 C ATOM 467 C GLU A 917 8.415 -9.984 6.269 1.00 0.00 C ATOM 468 O GLU A 917 7.566 -10.468 7.016 1.00 0.00 O ATOM 469 CB GLU A 917 10.014 -8.062 6.368 1.00 0.00 C ATOM 470 CG GLU A 917 11.321 -7.488 6.889 1.00 0.00 C ATOM 471 CD GLU A 917 11.583 -7.853 8.337 1.00 0.00 C ATOM 472 OE1 GLU A 917 11.998 -9.002 8.593 1.00 0.00 O ATOM 473 OE2 GLU A 917 11.372 -6.989 9.214 1.00 0.00 O ATOM 0 H GLU A 917 11.543 -9.910 5.796 1.00 0.00 H new ATOM 0 HA GLU A 917 9.720 -9.537 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 917 10.018 -8.024 5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 917 9.190 -7.433 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 917 12.144 -7.850 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 917 11.302 -6.403 6.790 1.00 0.00 H new ATOM 480 N GLY A 918 8.232 -9.846 4.959 1.00 0.00 N ATOM 481 CA GLY A 918 6.993 -10.270 4.335 1.00 0.00 C ATOM 482 C GLY A 918 6.142 -9.100 3.882 1.00 0.00 C ATOM 483 O GLY A 918 6.541 -8.337 3.003 1.00 0.00 O ATOM 0 H GLY A 918 8.920 -9.448 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 918 7.220 -10.904 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 918 6.425 -10.878 5.039 1.00 0.00 H new ATOM 487 N ASN A 919 4.964 -8.959 4.483 1.00 0.00 N ATOM 488 CA ASN A 919 4.053 -7.875 4.134 1.00 0.00 C ATOM 489 C ASN A 919 4.306 -6.650 5.008 1.00 0.00 C ATOM 490 O ASN A 919 4.108 -5.515 4.576 1.00 0.00 O ATOM 491 CB ASN A 919 2.601 -8.332 4.286 1.00 0.00 C ATOM 492 CG ASN A 919 2.264 -8.723 5.712 1.00 0.00 C ATOM 493 OD1 ASN A 919 1.976 -7.868 6.550 1.00 0.00 O ATOM 494 ND2 ASN A 919 2.298 -10.020 5.993 1.00 0.00 N ATOM 0 H ASN A 919 4.619 -9.582 5.213 1.00 0.00 H new ATOM 0 HA ASN A 919 4.234 -7.602 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 919 1.935 -7.531 3.965 1.00 0.00 H new ATOM 0 HB3 ASN A 919 2.419 -9.181 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 919 2.080 -10.344 6.935 1.00 0.00 H new ATOM 0 HD22 ASN A 919 2.542 -10.693 5.266 1.00 0.00 H new ATOM 501 N SER A 920 4.745 -6.889 6.240 1.00 0.00 N ATOM 502 CA SER A 920 5.022 -5.806 7.176 1.00 0.00 C ATOM 503 C SER A 920 6.465 -5.328 7.042 1.00 0.00 C ATOM 504 O SER A 920 7.081 -4.895 8.017 1.00 0.00 O ATOM 505 CB SER A 920 4.755 -6.263 8.612 1.00 0.00 C ATOM 506 OG SER A 920 3.366 -6.286 8.890 1.00 0.00 O ATOM 0 H SER A 920 4.916 -7.823 6.613 1.00 0.00 H new ATOM 0 HA SER A 920 4.358 -4.975 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 920 5.176 -7.257 8.765 1.00 0.00 H new ATOM 0 HB3 SER A 920 5.258 -5.593 9.310 1.00 0.00 H new ATOM 0 HG SER A 920 2.896 -6.757 8.171 1.00 0.00 H new ATOM 512 N CYS A 921 6.998 -5.409 5.828 1.00 0.00 N ATOM 513 CA CYS A 921 8.368 -4.986 5.564 1.00 0.00 C ATOM 514 C CYS A 921 8.432 -3.485 5.297 1.00 0.00 C ATOM 515 O CYS A 921 7.442 -2.872 4.895 1.00 0.00 O ATOM 516 CB CYS A 921 8.939 -5.753 4.370 1.00 0.00 C ATOM 517 SG CYS A 921 10.757 -5.706 4.257 1.00 0.00 S ATOM 0 H CYS A 921 6.502 -5.764 5.011 1.00 0.00 H new ATOM 0 HA CYS A 921 8.967 -5.205 6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 921 8.616 -6.792 4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 921 8.518 -5.342 3.453 1.00 0.00 H new ATOM 0 HG CYS A 921 11.198 -6.868 3.875 1.00 0.00 H new ATOM 522 N LYS A 922 9.603 -2.899 5.522 1.00 0.00 N ATOM 523 CA LYS A 922 9.798 -1.470 5.304 1.00 0.00 C ATOM 524 C LYS A 922 10.113 -1.181 3.840 1.00 0.00 C ATOM 525 O LYS A 922 9.811 -0.101 3.332 1.00 0.00 O ATOM 526 CB LYS A 922 10.929 -0.949 6.193 1.00 0.00 C ATOM 527 CG LYS A 922 12.277 -1.584 5.898 1.00 0.00 C ATOM 528 CD LYS A 922 13.419 -0.764 6.475 1.00 0.00 C ATOM 529 CE LYS A 922 14.731 -1.531 6.437 1.00 0.00 C ATOM 530 NZ LYS A 922 14.738 -2.667 7.399 1.00 0.00 N ATOM 0 H LYS A 922 10.432 -3.392 5.855 1.00 0.00 H new ATOM 0 HA LYS A 922 8.872 -0.957 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 922 11.010 0.131 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 922 10.672 -1.130 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 922 12.305 -2.591 6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 922 12.406 -1.681 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 922 13.522 0.164 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 922 13.187 -0.489 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 922 14.902 -1.908 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 922 15.554 -0.855 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 15.713 -3.004 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 14.354 -2.351 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 14.152 -3.441 7.026 1.00 0.00 H new ATOM 544 N PHE A 923 10.719 -2.153 3.167 1.00 0.00 N ATOM 545 CA PHE A 923 11.074 -2.002 1.760 1.00 0.00 C ATOM 546 C PHE A 923 9.903 -2.384 0.860 1.00 0.00 C ATOM 547 O PHE A 923 8.927 -2.981 1.313 1.00 0.00 O ATOM 548 CB PHE A 923 12.293 -2.865 1.425 1.00 0.00 C ATOM 549 CG PHE A 923 13.597 -2.247 1.840 1.00 0.00 C ATOM 550 CD1 PHE A 923 14.034 -1.065 1.264 1.00 0.00 C ATOM 551 CD2 PHE A 923 14.387 -2.849 2.807 1.00 0.00 C ATOM 552 CE1 PHE A 923 15.234 -0.494 1.645 1.00 0.00 C ATOM 553 CE2 PHE A 923 15.587 -2.282 3.192 1.00 0.00 C ATOM 554 CZ PHE A 923 16.012 -1.104 2.609 1.00 0.00 C ATOM 0 H PHE A 923 10.975 -3.053 3.572 1.00 0.00 H new ATOM 0 HA PHE A 923 11.319 -0.955 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 923 12.188 -3.834 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 923 12.313 -3.050 0.351 1.00 0.00 H new ATOM 0 HD1 PHE A 923 13.430 -0.584 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 923 14.061 -3.771 3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 923 15.563 0.428 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 923 16.192 -2.760 3.948 1.00 0.00 H new ATOM 0 HZ PHE A 923 16.951 -0.661 2.907 1.00 0.00 H new ATOM 564 N ALA A 924 10.009 -2.035 -0.418 1.00 0.00 N ATOM 565 CA ALA A 924 8.960 -2.342 -1.383 1.00 0.00 C ATOM 566 C ALA A 924 9.144 -3.738 -1.968 1.00 0.00 C ATOM 567 O ALA A 924 10.244 -4.111 -2.378 1.00 0.00 O ATOM 568 CB ALA A 924 8.942 -1.301 -2.493 1.00 0.00 C ATOM 0 H ALA A 924 10.810 -1.540 -0.809 1.00 0.00 H new ATOM 0 HA ALA A 924 8.003 -2.318 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 924 8.154 -1.543 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 924 8.754 -0.316 -2.065 1.00 0.00 H new ATOM 0 HB3 ALA A 924 9.905 -1.297 -3.004 1.00 0.00 H new ATOM 574 N HIS A 925 8.060 -4.508 -2.003 1.00 0.00 N ATOM 575 CA HIS A 925 8.103 -5.864 -2.538 1.00 0.00 C ATOM 576 C HIS A 925 7.427 -5.930 -3.904 1.00 0.00 C ATOM 577 O HIS A 925 6.256 -6.291 -4.012 1.00 0.00 O ATOM 578 CB HIS A 925 7.425 -6.837 -1.573 1.00 0.00 C ATOM 579 CG HIS A 925 8.265 -7.184 -0.383 1.00 0.00 C ATOM 580 ND1 HIS A 925 7.986 -8.245 0.452 1.00 0.00 N ATOM 581 CD2 HIS A 925 9.385 -6.604 0.110 1.00 0.00 C ATOM 582 CE1 HIS A 925 8.897 -8.302 1.408 1.00 0.00 C ATOM 583 NE2 HIS A 925 9.757 -7.317 1.222 1.00 0.00 N ATOM 0 H HIS A 925 7.142 -4.216 -1.667 1.00 0.00 H new ATOM 0 HA HIS A 925 9.148 -6.149 -2.655 1.00 0.00 H new ATOM 0 HB2 HIS A 925 6.487 -6.401 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 925 7.174 -7.752 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 925 9.891 -5.741 -0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 925 8.932 -9.030 2.205 1.00 0.00 H new ATOM 0 HE2 HIS A 925 10.567 -7.118 1.810 1.00 0.00 H new ATOM 591 N GLY A 926 8.174 -5.579 -4.946 1.00 0.00 N ATOM 592 CA GLY A 926 7.630 -5.604 -6.291 1.00 0.00 C ATOM 593 C GLY A 926 7.438 -4.215 -6.866 1.00 0.00 C ATOM 594 O GLY A 926 6.688 -3.408 -6.318 1.00 0.00 O ATOM 0 H GLY A 926 9.146 -5.278 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 926 8.297 -6.173 -6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 926 6.673 -6.126 -6.283 1.00 0.00 H new ATOM 598 N ASN A 927 8.118 -3.934 -7.973 1.00 0.00 N ATOM 599 CA ASN A 927 8.020 -2.631 -8.621 1.00 0.00 C ATOM 600 C ASN A 927 6.578 -2.134 -8.627 1.00 0.00 C ATOM 601 O ASN A 927 6.314 -0.961 -8.368 1.00 0.00 O ATOM 602 CB ASN A 927 8.550 -2.710 -10.054 1.00 0.00 C ATOM 603 CG ASN A 927 8.165 -4.005 -10.742 1.00 0.00 C ATOM 604 OD1 ASN A 927 7.146 -4.076 -11.429 1.00 0.00 O ATOM 605 ND2 ASN A 927 8.982 -5.037 -10.561 1.00 0.00 N ATOM 0 H ASN A 927 8.743 -4.591 -8.440 1.00 0.00 H new ATOM 0 HA ASN A 927 8.627 -1.924 -8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 927 8.164 -1.868 -10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 927 9.636 -2.617 -10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 927 8.775 -5.934 -11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 927 9.816 -4.932 -9.983 1.00 0.00 H new ATOM 612 N ALA A 928 5.648 -3.036 -8.924 1.00 0.00 N ATOM 613 CA ALA A 928 4.232 -2.690 -8.962 1.00 0.00 C ATOM 614 C ALA A 928 3.784 -2.070 -7.643 1.00 0.00 C ATOM 615 O ALA A 928 3.184 -0.996 -7.624 1.00 0.00 O ATOM 616 CB ALA A 928 3.397 -3.921 -9.280 1.00 0.00 C ATOM 0 H ALA A 928 5.850 -4.012 -9.142 1.00 0.00 H new ATOM 0 HA ALA A 928 4.084 -1.951 -9.750 1.00 0.00 H new ATOM 0 HB1 ALA A 928 2.342 -3.648 -9.305 1.00 0.00 H new ATOM 0 HB2 ALA A 928 3.692 -4.320 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 928 3.558 -4.678 -8.512 1.00 0.00 H new ATOM 622 N GLU A 929 4.077 -2.756 -6.542 1.00 0.00 N ATOM 623 CA GLU A 929 3.702 -2.271 -5.219 1.00 0.00 C ATOM 624 C GLU A 929 4.280 -0.882 -4.963 1.00 0.00 C ATOM 625 O GLU A 929 3.582 0.015 -4.488 1.00 0.00 O ATOM 626 CB GLU A 929 4.185 -3.243 -4.140 1.00 0.00 C ATOM 627 CG GLU A 929 3.837 -2.806 -2.727 1.00 0.00 C ATOM 628 CD GLU A 929 4.750 -3.420 -1.684 1.00 0.00 C ATOM 629 OE1 GLU A 929 5.308 -4.506 -1.951 1.00 0.00 O ATOM 630 OE2 GLU A 929 4.907 -2.817 -0.602 1.00 0.00 O ATOM 0 H GLU A 929 4.572 -3.648 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 929 2.615 -2.205 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 929 3.749 -4.225 -4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 929 5.266 -3.354 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 929 3.896 -1.720 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 929 2.805 -3.082 -2.509 1.00 0.00 H new ATOM 637 N LEU A 930 5.558 -0.712 -5.281 1.00 0.00 N ATOM 638 CA LEU A 930 6.232 0.567 -5.086 1.00 0.00 C ATOM 639 C LEU A 930 5.419 1.707 -5.691 1.00 0.00 C ATOM 640 O LEU A 930 5.147 2.709 -5.028 1.00 0.00 O ATOM 641 CB LEU A 930 7.627 0.532 -5.712 1.00 0.00 C ATOM 642 CG LEU A 930 8.510 1.753 -5.454 1.00 0.00 C ATOM 643 CD1 LEU A 930 8.993 1.766 -4.012 1.00 0.00 C ATOM 644 CD2 LEU A 930 9.689 1.771 -6.414 1.00 0.00 C ATOM 0 H LEU A 930 6.149 -1.444 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 930 6.327 0.741 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 930 8.147 -0.352 -5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 930 7.517 0.410 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 930 7.916 2.651 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 930 9.620 2.642 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 930 8.135 1.802 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 930 9.571 0.863 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 930 10.306 2.647 -6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 930 10.284 0.869 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 930 9.322 1.810 -7.440 1.00 0.00 H new ATOM 656 N HIS A 931 5.033 1.548 -6.953 1.00 0.00 N ATOM 657 CA HIS A 931 4.248 2.564 -7.646 1.00 0.00 C ATOM 658 C HIS A 931 3.223 3.193 -6.708 1.00 0.00 C ATOM 659 O HIS A 931 3.109 4.416 -6.629 1.00 0.00 O ATOM 660 CB HIS A 931 3.542 1.954 -8.857 1.00 0.00 C ATOM 661 CG HIS A 931 4.464 1.224 -9.785 1.00 0.00 C ATOM 662 ND1 HIS A 931 4.027 0.294 -10.703 1.00 0.00 N ATOM 663 CD2 HIS A 931 5.808 1.294 -9.933 1.00 0.00 C ATOM 664 CE1 HIS A 931 5.062 -0.178 -11.375 1.00 0.00 C ATOM 665 NE2 HIS A 931 6.155 0.413 -10.927 1.00 0.00 N ATOM 0 H HIS A 931 5.251 0.726 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 931 4.929 3.344 -7.986 1.00 0.00 H new ATOM 0 HB2 HIS A 931 2.771 1.266 -8.509 1.00 0.00 H new ATOM 0 HB3 HIS A 931 3.037 2.746 -9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 931 6.482 1.926 -9.373 1.00 0.00 H new ATOM 0 HE1 HIS A 931 5.021 -0.921 -12.158 1.00 0.00 H new ATOM 0 HE2 HIS A 931 7.102 0.243 -11.265 1.00 0.00 H new ATOM 673 N GLU A 932 2.479 2.349 -6.000 1.00 0.00 N ATOM 674 CA GLU A 932 1.463 2.824 -5.068 1.00 0.00 C ATOM 675 C GLU A 932 2.105 3.490 -3.855 1.00 0.00 C ATOM 676 O GLU A 932 1.636 4.525 -3.381 1.00 0.00 O ATOM 677 CB GLU A 932 0.573 1.664 -4.616 1.00 0.00 C ATOM 678 CG GLU A 932 -0.402 1.193 -5.681 1.00 0.00 C ATOM 679 CD GLU A 932 0.243 1.065 -7.047 1.00 0.00 C ATOM 680 OE1 GLU A 932 1.265 0.354 -7.155 1.00 0.00 O ATOM 681 OE2 GLU A 932 -0.272 1.674 -8.007 1.00 0.00 O ATOM 0 H GLU A 932 2.561 1.334 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 932 0.850 3.563 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 932 1.205 0.827 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 932 0.013 1.970 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 932 -0.817 0.229 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 932 -1.235 1.893 -5.741 1.00 0.00 H new ATOM 688 N TRP A 933 3.180 2.890 -3.358 1.00 0.00 N ATOM 689 CA TRP A 933 3.887 3.424 -2.200 1.00 0.00 C ATOM 690 C TRP A 933 4.310 4.869 -2.439 1.00 0.00 C ATOM 691 O TRP A 933 4.107 5.733 -1.587 1.00 0.00 O ATOM 692 CB TRP A 933 5.114 2.567 -1.885 1.00 0.00 C ATOM 693 CG TRP A 933 4.827 1.444 -0.935 1.00 0.00 C ATOM 694 CD1 TRP A 933 3.621 0.837 -0.724 1.00 0.00 C ATOM 695 CD2 TRP A 933 5.762 0.796 -0.066 1.00 0.00 C ATOM 696 NE1 TRP A 933 3.751 -0.149 0.223 1.00 0.00 N ATOM 697 CE2 TRP A 933 5.054 -0.196 0.642 1.00 0.00 C ATOM 698 CE3 TRP A 933 7.128 0.954 0.181 1.00 0.00 C ATOM 699 CZ2 TRP A 933 5.668 -1.021 1.580 1.00 0.00 C ATOM 700 CZ3 TRP A 933 7.736 0.134 1.113 1.00 0.00 C ATOM 701 CH2 TRP A 933 7.007 -0.844 1.802 1.00 0.00 C ATOM 0 H TRP A 933 3.581 2.033 -3.739 1.00 0.00 H new ATOM 0 HA TRP A 933 3.207 3.400 -1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 933 5.509 2.155 -2.814 1.00 0.00 H new ATOM 0 HB3 TRP A 933 5.892 3.202 -1.461 1.00 0.00 H new ATOM 0 HD1 TRP A 933 2.701 1.095 -1.228 1.00 0.00 H new ATOM 0 HE1 TRP A 933 2.998 -0.749 0.560 1.00 0.00 H new ATOM 0 HE3 TRP A 933 7.699 1.704 -0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 933 5.108 -1.774 2.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 933 8.791 0.249 1.313 1.00 0.00 H new ATOM 0 HH2 TRP A 933 7.511 -1.471 2.523 1.00 0.00 H new ATOM 712 N GLU A 934 4.898 5.125 -3.604 1.00 0.00 N ATOM 713 CA GLU A 934 5.348 6.467 -3.953 1.00 0.00 C ATOM 714 C GLU A 934 4.246 7.493 -3.705 1.00 0.00 C ATOM 715 O GLU A 934 4.516 8.618 -3.287 1.00 0.00 O ATOM 716 CB GLU A 934 5.786 6.516 -5.419 1.00 0.00 C ATOM 717 CG GLU A 934 6.961 5.605 -5.734 1.00 0.00 C ATOM 718 CD GLU A 934 7.675 5.996 -7.013 1.00 0.00 C ATOM 719 OE1 GLU A 934 7.673 7.199 -7.349 1.00 0.00 O ATOM 720 OE2 GLU A 934 8.236 5.100 -7.678 1.00 0.00 O ATOM 0 H GLU A 934 5.073 4.421 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 934 6.199 6.714 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 934 4.942 6.239 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 934 6.053 7.541 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 934 7.668 5.631 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 934 6.607 4.578 -5.819 1.00 0.00 H new ATOM 727 N GLU A 935 3.005 7.095 -3.967 1.00 0.00 N ATOM 728 CA GLU A 935 1.863 7.980 -3.774 1.00 0.00 C ATOM 729 C GLU A 935 1.408 7.971 -2.317 1.00 0.00 C ATOM 730 O GLU A 935 1.255 9.023 -1.697 1.00 0.00 O ATOM 731 CB GLU A 935 0.706 7.562 -4.684 1.00 0.00 C ATOM 732 CG GLU A 935 1.021 7.687 -6.165 1.00 0.00 C ATOM 733 CD GLU A 935 0.963 9.121 -6.655 1.00 0.00 C ATOM 734 OE1 GLU A 935 0.157 9.903 -6.108 1.00 0.00 O ATOM 735 OE2 GLU A 935 1.723 9.461 -7.585 1.00 0.00 O ATOM 0 H GLU A 935 2.765 6.166 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 935 2.172 8.992 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 935 0.437 6.529 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 935 -0.166 8.174 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 935 2.014 7.281 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 935 0.315 7.083 -6.735 1.00 0.00 H new ATOM 742 N ARG A 936 1.192 6.775 -1.779 1.00 0.00 N ATOM 743 CA ARG A 936 0.753 6.628 -0.396 1.00 0.00 C ATOM 744 C ARG A 936 1.516 7.580 0.521 1.00 0.00 C ATOM 745 O ARG A 936 0.927 8.469 1.137 1.00 0.00 O ATOM 746 CB ARG A 936 0.948 5.185 0.073 1.00 0.00 C ATOM 747 CG ARG A 936 0.024 4.192 -0.612 1.00 0.00 C ATOM 748 CD ARG A 936 0.196 2.790 -0.048 1.00 0.00 C ATOM 749 NE ARG A 936 -1.040 2.016 -0.118 1.00 0.00 N ATOM 750 CZ ARG A 936 -2.055 2.176 0.724 1.00 0.00 C ATOM 751 NH1 ARG A 936 -1.981 3.076 1.694 1.00 0.00 N ATOM 752 NH2 ARG A 936 -3.148 1.434 0.597 1.00 0.00 N ATOM 0 H ARG A 936 1.314 5.894 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 936 -0.307 6.878 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 936 1.982 4.890 -0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 936 0.785 5.137 1.150 1.00 0.00 H new ATOM 0 HG2 ARG A 936 -1.011 4.511 -0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 936 0.228 4.182 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 936 0.980 2.271 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 936 0.525 2.854 0.989 1.00 0.00 H new ATOM 0 HE ARG A 936 -1.129 1.315 -0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 936 -1.143 3.648 1.796 1.00 0.00 H new ATOM 0 HH12 ARG A 936 -2.762 3.196 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 936 -3.209 0.740 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 936 -3.927 1.558 1.244 1.00 0.00 H new ATOM 766 N ARG A 937 2.828 7.387 0.606 1.00 0.00 N ATOM 767 CA ARG A 937 3.670 8.226 1.449 1.00 0.00 C ATOM 768 C ARG A 937 3.518 9.698 1.076 1.00 0.00 C ATOM 769 O ARG A 937 2.981 10.492 1.849 1.00 0.00 O ATOM 770 CB ARG A 937 5.136 7.806 1.321 1.00 0.00 C ATOM 771 CG ARG A 937 5.947 8.034 2.586 1.00 0.00 C ATOM 772 CD ARG A 937 6.729 9.337 2.520 1.00 0.00 C ATOM 773 NE ARG A 937 5.972 10.458 3.070 1.00 0.00 N ATOM 774 CZ ARG A 937 6.358 11.725 2.969 1.00 0.00 C ATOM 775 NH1 ARG A 937 7.486 12.030 2.342 1.00 0.00 N ATOM 776 NH2 ARG A 937 5.615 12.690 3.496 1.00 0.00 N ATOM 0 H ARG A 937 3.331 6.657 0.101 1.00 0.00 H new ATOM 0 HA ARG A 937 3.350 8.096 2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 937 5.181 6.750 1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 937 5.594 8.360 0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 937 5.281 8.052 3.448 1.00 0.00 H new ATOM 0 HG3 ARG A 937 6.636 7.202 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 937 7.664 9.227 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 937 6.991 9.550 1.484 1.00 0.00 H new ATOM 0 HE ARG A 937 5.099 10.257 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 937 8.060 11.291 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 937 7.780 13.004 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 937 4.747 12.459 3.979 1.00 0.00 H new ATOM 0 HH22 ARG A 937 5.912 13.663 3.418 1.00 0.00 H new ATOM 790 N ASP A 938 3.993 10.054 -0.113 1.00 0.00 N ATOM 791 CA ASP A 938 3.909 11.430 -0.589 1.00 0.00 C ATOM 792 C ASP A 938 2.616 12.090 -0.119 1.00 0.00 C ATOM 793 O ASP A 938 2.634 13.191 0.430 1.00 0.00 O ATOM 794 CB ASP A 938 3.990 11.469 -2.116 1.00 0.00 C ATOM 795 CG ASP A 938 4.335 12.849 -2.641 1.00 0.00 C ATOM 796 OD1 ASP A 938 5.529 13.214 -2.611 1.00 0.00 O ATOM 797 OD2 ASP A 938 3.411 13.563 -3.084 1.00 0.00 O ATOM 0 H ASP A 938 4.440 9.409 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 938 4.750 11.984 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 938 4.741 10.756 -2.456 1.00 0.00 H new ATOM 0 HB3 ASP A 938 3.036 11.151 -2.536 1.00 0.00 H new