USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 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 908 GLN : amide:sc= 2.54 K(o=3.1,f=-3.3!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.532 K(o=3.1,f=-5.3!) USER MOD Set 2.1: A 868 CYS SG : rot -155:sc= 1.98 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.14 USER MOD Set 2.3: A 873 LYS NZ :NH3+ 174:sc= 1.36 (180deg=1.32) USER MOD Set 2.4: A 893 CYS SG : rot 70:sc= -0.313 USER MOD Set 2.5: A 904 CYS SG : rot 180:sc= 0.0251 USER MOD Single : A 863 SER OG : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl 178:sc= 0 (180deg=-0.0071) USER MOD Single : A 895 ASN : amide:sc= 1.88 K(o=1.9,f=-0.002) USER MOD Single : A 896 ASN : amide:sc= 0.348 K(o=0.35,f=-3.3!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.38 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= -0.21 K(o=-0.21,f=-4.9!) USER MOD Single : B 5 GLN : amide:sc= -0.0416 X(o=-0.042,f=-0.22) USER MOD Single : B 6 THR OG1 : rot -128:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.271 7.033 -13.746 1.00 0.00 N ATOM 189 CA SER A 863 -20.247 5.617 -13.302 1.00 0.00 C ATOM 190 C SER A 863 -19.077 4.765 -13.819 1.00 0.00 C ATOM 191 O SER A 863 -18.657 4.881 -14.976 1.00 0.00 O ATOM 192 CB SER A 863 -21.550 4.905 -13.671 1.00 0.00 C ATOM 193 OG SER A 863 -22.608 5.347 -12.838 1.00 0.00 O ATOM 0 HA SER A 863 -20.116 5.698 -12.223 1.00 0.00 H new ATOM 0 HB2 SER A 863 -21.795 5.100 -14.715 1.00 0.00 H new ATOM 0 HB3 SER A 863 -21.424 3.827 -13.569 1.00 0.00 H new ATOM 0 HG SER A 863 -23.435 4.884 -13.087 1.00 0.00 H new ATOM 199 N ALA A 864 -18.591 3.865 -12.958 1.00 0.00 N ATOM 200 CA ALA A 864 -17.367 3.082 -13.155 1.00 0.00 C ATOM 201 C ALA A 864 -17.558 1.579 -12.869 1.00 0.00 C ATOM 202 O ALA A 864 -18.647 1.132 -12.505 1.00 0.00 O ATOM 203 CB ALA A 864 -16.288 3.715 -12.258 1.00 0.00 C ATOM 0 H ALA A 864 -19.055 3.655 -12.074 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.068 3.116 -14.203 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.354 3.165 -12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.135 4.754 -12.551 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.610 3.675 -11.218 1.00 0.00 H new ATOM 209 N TRP A 865 -16.484 0.796 -12.998 1.00 0.00 N ATOM 210 CA TRP A 865 -16.425 -0.589 -12.524 1.00 0.00 C ATOM 211 C TRP A 865 -15.182 -0.849 -11.699 1.00 0.00 C ATOM 212 O TRP A 865 -14.077 -0.503 -12.100 1.00 0.00 O ATOM 213 CB TRP A 865 -16.359 -1.590 -13.658 1.00 0.00 C ATOM 214 CG TRP A 865 -17.503 -1.691 -14.588 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.862 -0.789 -15.518 1.00 0.00 C ATOM 216 CD2 TRP A 865 -18.360 -2.840 -14.776 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.874 -1.311 -16.297 1.00 0.00 N ATOM 218 CE2 TRP A 865 -19.197 -2.603 -15.903 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.426 -4.088 -14.129 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -20.050 -3.602 -16.395 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -19.279 -5.099 -14.615 1.00 0.00 C ATOM 222 CH2 TRP A 865 -20.082 -4.851 -15.742 1.00 0.00 C ATOM 0 H TRP A 865 -15.620 1.110 -13.440 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.337 -0.714 -11.940 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.473 -1.360 -14.249 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -16.203 -2.575 -13.219 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -17.426 0.192 -15.637 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -19.326 -0.812 -17.063 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.819 -4.272 -13.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.671 -3.418 -17.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -19.316 -6.060 -14.124 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.733 -5.629 -16.113 1.00 0.00 H new ATOM 233 N VAL A 866 -15.346 -1.589 -10.616 1.00 0.00 N ATOM 234 CA VAL A 866 -14.323 -1.752 -9.562 1.00 0.00 C ATOM 235 C VAL A 866 -13.831 -3.187 -9.482 1.00 0.00 C ATOM 236 O VAL A 866 -14.627 -4.124 -9.581 1.00 0.00 O ATOM 237 CB VAL A 866 -14.797 -1.210 -8.200 1.00 0.00 C ATOM 238 CG1 VAL A 866 -16.014 -1.956 -7.647 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.690 -1.236 -7.141 1.00 0.00 C ATOM 0 H VAL A 866 -16.204 -2.108 -10.428 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.466 -1.141 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.081 -0.177 -8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.298 -1.527 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.845 -1.864 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.766 -3.009 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.077 -0.844 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.351 -2.261 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.854 -0.621 -7.474 1.00 0.00 H new ATOM 249 N ARG A 867 -12.511 -3.349 -9.344 1.00 0.00 N ATOM 250 CA ARG A 867 -11.857 -4.656 -9.239 1.00 0.00 C ATOM 251 C ARG A 867 -11.780 -5.140 -7.796 1.00 0.00 C ATOM 252 O ARG A 867 -11.484 -4.354 -6.894 1.00 0.00 O ATOM 253 CB ARG A 867 -10.449 -4.593 -9.853 1.00 0.00 C ATOM 254 CG ARG A 867 -10.213 -5.788 -10.775 1.00 0.00 C ATOM 255 CD ARG A 867 -8.799 -5.802 -11.360 1.00 0.00 C ATOM 256 NE ARG A 867 -7.926 -6.699 -10.566 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.971 -7.498 -11.004 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.670 -7.626 -12.261 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.307 -8.233 -10.158 1.00 0.00 N ATOM 0 H ARG A 867 -11.859 -2.566 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.463 -5.373 -9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.331 -3.665 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.700 -4.584 -9.061 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.383 -6.711 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.939 -5.766 -11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.830 -6.137 -12.397 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.389 -4.792 -11.363 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.082 -6.699 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.182 -7.094 -12.965 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.922 -8.259 -12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.526 -8.189 -9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.568 -8.852 -10.491 1.00 0.00 H new ATOM 273 N CYS A 868 -11.941 -6.443 -7.603 1.00 0.00 N ATOM 274 CA CYS A 868 -11.595 -7.116 -6.367 1.00 0.00 C ATOM 275 C CYS A 868 -10.061 -7.122 -6.139 1.00 0.00 C ATOM 276 O CYS A 868 -9.289 -7.595 -6.981 1.00 0.00 O ATOM 277 CB CYS A 868 -12.217 -8.510 -6.434 1.00 0.00 C ATOM 278 SG CYS A 868 -11.944 -9.417 -4.882 1.00 0.00 S ATOM 0 H CYS A 868 -12.322 -7.067 -8.314 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.993 -6.592 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.286 -8.427 -6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.785 -9.066 -7.266 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.984 -10.696 -5.114 1.00 0.00 H new ATOM 283 N ASP A 869 -9.630 -6.607 -4.988 1.00 0.00 N ATOM 284 CA ASP A 869 -8.257 -6.722 -4.480 1.00 0.00 C ATOM 285 C ASP A 869 -7.890 -8.138 -3.976 1.00 0.00 C ATOM 286 O ASP A 869 -6.706 -8.415 -3.777 1.00 0.00 O ATOM 287 CB ASP A 869 -8.029 -5.671 -3.375 1.00 0.00 C ATOM 288 CG ASP A 869 -7.721 -4.279 -3.951 1.00 0.00 C ATOM 289 OD1 ASP A 869 -6.534 -4.005 -4.244 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.636 -3.440 -4.109 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.242 -6.082 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.592 -6.534 -5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.915 -5.613 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.204 -5.989 -2.738 1.00 0.00 H new ATOM 295 N ASP A 870 -8.855 -9.050 -3.794 1.00 0.00 N ATOM 296 CA ASP A 870 -8.622 -10.418 -3.286 1.00 0.00 C ATOM 297 C ASP A 870 -8.605 -11.474 -4.413 1.00 0.00 C ATOM 298 O ASP A 870 -7.854 -12.451 -4.334 1.00 0.00 O ATOM 299 CB ASP A 870 -9.665 -10.761 -2.208 1.00 0.00 C ATOM 300 CG ASP A 870 -9.309 -11.992 -1.343 1.00 0.00 C ATOM 301 OD1 ASP A 870 -10.242 -12.634 -0.803 1.00 0.00 O ATOM 302 OD2 ASP A 870 -8.109 -12.291 -1.127 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.836 -8.860 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.629 -10.441 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.792 -9.898 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.625 -10.938 -2.692 1.00 0.00 H new ATOM 307 N CYS A 871 -9.352 -11.230 -5.498 1.00 0.00 N ATOM 308 CA CYS A 871 -9.171 -11.873 -6.792 1.00 0.00 C ATOM 309 C CYS A 871 -8.910 -10.824 -7.909 1.00 0.00 C ATOM 310 O CYS A 871 -7.805 -10.280 -8.021 1.00 0.00 O ATOM 311 CB CYS A 871 -10.283 -12.941 -7.015 1.00 0.00 C ATOM 312 SG CYS A 871 -11.978 -12.367 -7.431 1.00 0.00 S ATOM 0 H CYS A 871 -10.120 -10.559 -5.492 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.255 -12.462 -6.829 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.951 -13.603 -7.815 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.350 -13.544 -6.109 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.760 -13.395 -7.580 1.00 0.00 H new ATOM 317 N PHE A 872 -9.927 -10.567 -8.726 1.00 0.00 N ATOM 318 CA PHE A 872 -9.916 -9.713 -9.922 1.00 0.00 C ATOM 319 C PHE A 872 -11.294 -9.423 -10.553 1.00 0.00 C ATOM 320 O PHE A 872 -11.371 -8.664 -11.523 1.00 0.00 O ATOM 321 CB PHE A 872 -9.035 -10.361 -10.993 1.00 0.00 C ATOM 322 CG PHE A 872 -9.497 -11.723 -11.486 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.399 -11.818 -12.564 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.032 -12.899 -10.866 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.845 -13.075 -13.008 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.476 -14.158 -11.310 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.385 -14.246 -12.379 1.00 0.00 C ATOM 0 H PHE A 872 -10.847 -10.976 -8.563 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.534 -8.753 -9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.976 -9.686 -11.847 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -8.025 -10.461 -10.596 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.750 -10.920 -13.052 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.332 -12.834 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -11.540 -13.142 -13.832 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.119 -15.057 -10.830 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.730 -15.212 -12.717 1.00 0.00 H new ATOM 337 N LYS A 873 -12.380 -10.022 -10.053 1.00 0.00 N ATOM 338 CA LYS A 873 -13.752 -9.760 -10.527 1.00 0.00 C ATOM 339 C LYS A 873 -14.087 -8.268 -10.571 1.00 0.00 C ATOM 340 O LYS A 873 -13.729 -7.510 -9.670 1.00 0.00 O ATOM 341 CB LYS A 873 -14.811 -10.497 -9.702 1.00 0.00 C ATOM 342 CG LYS A 873 -14.905 -11.967 -10.116 1.00 0.00 C ATOM 343 CD LYS A 873 -16.331 -12.515 -10.028 1.00 0.00 C ATOM 344 CE LYS A 873 -16.948 -12.432 -8.621 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.014 -11.406 -8.525 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.336 -10.709 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.776 -10.148 -11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.564 -10.429 -8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -15.780 -10.016 -9.835 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.540 -12.077 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.251 -12.562 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.964 -11.965 -10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.330 -13.556 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -17.360 -13.404 -8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -16.165 -12.205 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.465 -11.460 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.599 -10.461 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -18.727 -11.576 -9.263 1.00 0.00 H new ATOM 359 N TRP A 874 -14.819 -7.883 -11.611 1.00 0.00 N ATOM 360 CA TRP A 874 -15.378 -6.542 -11.800 1.00 0.00 C ATOM 361 C TRP A 874 -16.836 -6.457 -11.329 1.00 0.00 C ATOM 362 O TRP A 874 -17.591 -7.423 -11.451 1.00 0.00 O ATOM 363 CB TRP A 874 -15.266 -6.110 -13.268 1.00 0.00 C ATOM 364 CG TRP A 874 -13.867 -6.008 -13.794 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.245 -6.871 -14.631 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.884 -4.981 -13.485 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.940 -6.455 -14.843 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.662 -5.313 -14.137 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.903 -3.795 -12.723 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.513 -4.525 -14.039 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.749 -3.005 -12.596 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.555 -3.365 -13.244 1.00 0.00 C ATOM 0 H TRP A 874 -15.050 -8.517 -12.376 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.793 -5.859 -11.185 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.818 -6.820 -13.883 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.753 -5.142 -13.384 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.697 -7.750 -15.067 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.273 -6.936 -15.446 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.815 -3.491 -12.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.610 -4.801 -14.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.779 -2.110 -11.993 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.672 -2.753 -13.132 1.00 0.00 H new ATOM 383 N ARG A 875 -17.250 -5.274 -10.864 1.00 0.00 N ATOM 384 CA ARG A 875 -18.647 -4.897 -10.549 1.00 0.00 C ATOM 385 C ARG A 875 -18.915 -3.436 -10.919 1.00 0.00 C ATOM 386 O ARG A 875 -18.075 -2.583 -10.648 1.00 0.00 O ATOM 387 CB ARG A 875 -18.943 -5.112 -9.050 1.00 0.00 C ATOM 388 CG ARG A 875 -19.004 -6.581 -8.596 1.00 0.00 C ATOM 389 CD ARG A 875 -20.063 -7.438 -9.302 1.00 0.00 C ATOM 390 NE ARG A 875 -21.425 -6.865 -9.233 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.422 -7.171 -10.045 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.336 -8.112 -10.933 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.557 -6.555 -10.006 1.00 0.00 N ATOM 0 H ARG A 875 -16.596 -4.512 -10.686 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.304 -5.536 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -18.176 -4.601 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.894 -4.636 -8.812 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.026 -7.035 -8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.195 -6.606 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.781 -7.561 -10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.072 -8.432 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.609 -6.179 -8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.474 -8.649 -11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.131 -8.315 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.707 -5.804 -9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.303 -6.819 -10.649 1.00 0.00 H new ATOM 407 N ARG A 876 -20.066 -3.152 -11.538 1.00 0.00 N ATOM 408 CA ARG A 876 -20.537 -1.807 -11.931 1.00 0.00 C ATOM 409 C ARG A 876 -20.985 -1.033 -10.686 1.00 0.00 C ATOM 410 O ARG A 876 -21.825 -1.515 -9.927 1.00 0.00 O ATOM 411 CB ARG A 876 -21.655 -1.971 -12.985 1.00 0.00 C ATOM 412 CG ARG A 876 -21.896 -0.764 -13.914 1.00 0.00 C ATOM 413 CD ARG A 876 -22.193 0.570 -13.220 1.00 0.00 C ATOM 414 NE ARG A 876 -23.304 0.457 -12.250 1.00 0.00 N ATOM 415 CZ ARG A 876 -23.898 1.428 -11.580 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.585 2.681 -11.725 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -24.831 1.147 -10.717 1.00 0.00 N ATOM 0 H ARG A 876 -20.730 -3.883 -11.793 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.738 -1.221 -12.385 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.419 -2.837 -13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.586 -2.195 -12.465 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -21.016 -0.635 -14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.730 -1.000 -14.575 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.297 0.918 -12.706 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -22.442 1.321 -13.970 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.654 -0.485 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -22.851 2.951 -12.380 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -24.073 3.395 -11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -25.103 0.177 -10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -25.290 1.897 -10.200 1.00 0.00 H new ATOM 431 N ILE A 877 -20.441 0.168 -10.501 1.00 0.00 N ATOM 432 CA ILE A 877 -20.681 1.060 -9.359 1.00 0.00 C ATOM 433 C ILE A 877 -20.953 2.504 -9.817 1.00 0.00 C ATOM 434 O ILE A 877 -20.476 2.919 -10.880 1.00 0.00 O ATOM 435 CB ILE A 877 -19.486 1.009 -8.376 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.196 1.579 -9.016 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.308 -0.429 -7.851 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.030 1.739 -8.040 1.00 0.00 C ATOM 0 H ILE A 877 -19.788 0.569 -11.174 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.574 0.709 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.699 1.651 -7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.887 0.923 -9.829 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.421 2.550 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.466 -0.462 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.215 -0.743 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.117 -1.101 -8.688 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.166 2.143 -8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.317 2.420 -7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.774 0.768 -7.616 1.00 0.00 H new ATOM 450 N PRO A 878 -21.673 3.313 -9.022 1.00 0.00 N ATOM 451 CA PRO A 878 -21.716 4.752 -9.239 1.00 0.00 C ATOM 452 C PRO A 878 -20.369 5.401 -8.885 1.00 0.00 C ATOM 453 O PRO A 878 -19.642 4.952 -7.995 1.00 0.00 O ATOM 454 CB PRO A 878 -22.855 5.254 -8.346 1.00 0.00 C ATOM 455 CG PRO A 878 -22.826 4.277 -7.170 1.00 0.00 C ATOM 456 CD PRO A 878 -22.426 2.954 -7.825 1.00 0.00 C ATOM 0 HA PRO A 878 -21.892 5.011 -10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.690 6.281 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -23.814 5.233 -8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.108 4.583 -6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.798 4.207 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.820 2.351 -7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.305 2.362 -8.079 1.00 0.00 H new ATOM 464 N ALA A 879 -20.070 6.524 -9.534 1.00 0.00 N ATOM 465 CA ALA A 879 -18.911 7.376 -9.244 1.00 0.00 C ATOM 466 C ALA A 879 -18.752 7.794 -7.768 1.00 0.00 C ATOM 467 O ALA A 879 -17.632 8.009 -7.306 1.00 0.00 O ATOM 468 CB ALA A 879 -19.052 8.630 -10.102 1.00 0.00 C ATOM 0 H ALA A 879 -20.642 6.880 -10.300 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.020 6.790 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.208 9.294 -9.917 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.070 8.350 -11.155 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.980 9.143 -9.847 1.00 0.00 H new ATOM 474 N SER A 880 -19.848 7.853 -7.004 1.00 0.00 N ATOM 475 CA SER A 880 -19.822 8.135 -5.558 1.00 0.00 C ATOM 476 C SER A 880 -19.038 7.079 -4.768 1.00 0.00 C ATOM 477 O SER A 880 -18.479 7.387 -3.714 1.00 0.00 O ATOM 478 CB SER A 880 -21.247 8.231 -4.997 1.00 0.00 C ATOM 479 OG SER A 880 -21.952 9.321 -5.574 1.00 0.00 O ATOM 0 H SER A 880 -20.788 7.706 -7.372 1.00 0.00 H new ATOM 0 HA SER A 880 -19.313 9.091 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.782 7.302 -5.195 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.207 8.352 -3.914 1.00 0.00 H new ATOM 0 HG SER A 880 -22.857 9.359 -5.201 1.00 0.00 H new ATOM 485 N VAL A 881 -18.943 5.847 -5.290 1.00 0.00 N ATOM 486 CA VAL A 881 -18.084 4.785 -4.752 1.00 0.00 C ATOM 487 C VAL A 881 -16.693 4.854 -5.358 1.00 0.00 C ATOM 488 O VAL A 881 -15.714 4.751 -4.625 1.00 0.00 O ATOM 489 CB VAL A 881 -18.732 3.396 -4.942 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.867 2.229 -4.453 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.067 3.308 -4.190 1.00 0.00 C ATOM 0 H VAL A 881 -19.471 5.557 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.977 4.943 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.864 3.303 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.394 1.290 -4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.925 2.220 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.667 2.346 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.504 2.321 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.897 3.473 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.750 4.068 -4.570 1.00 0.00 H new ATOM 501 N VAL A 882 -16.563 5.114 -6.663 1.00 0.00 N ATOM 502 CA VAL A 882 -15.228 5.118 -7.302 1.00 0.00 C ATOM 503 C VAL A 882 -14.335 6.283 -6.841 1.00 0.00 C ATOM 504 O VAL A 882 -13.109 6.198 -6.910 1.00 0.00 O ATOM 505 CB VAL A 882 -15.315 4.999 -8.835 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.311 6.330 -9.588 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.144 4.159 -9.364 1.00 0.00 C ATOM 0 H VAL A 882 -17.340 5.320 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.725 4.217 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.280 4.529 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.375 6.142 -10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.165 6.929 -9.273 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.389 6.869 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.214 4.080 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.202 4.637 -9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.183 3.162 -8.925 1.00 0.00 H new ATOM 517 N GLY A 883 -14.952 7.336 -6.297 1.00 0.00 N ATOM 518 CA GLY A 883 -14.270 8.460 -5.643 1.00 0.00 C ATOM 519 C GLY A 883 -13.989 8.244 -4.146 1.00 0.00 C ATOM 520 O GLY A 883 -13.164 8.953 -3.568 1.00 0.00 O ATOM 0 H GLY A 883 -15.967 7.434 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.326 8.645 -6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -14.878 9.357 -5.761 1.00 0.00 H new ATOM 524 N SER A 884 -14.652 7.265 -3.518 1.00 0.00 N ATOM 525 CA SER A 884 -14.424 6.839 -2.126 1.00 0.00 C ATOM 526 C SER A 884 -13.357 5.734 -2.025 1.00 0.00 C ATOM 527 O SER A 884 -12.508 5.753 -1.130 1.00 0.00 O ATOM 528 CB SER A 884 -15.755 6.367 -1.527 1.00 0.00 C ATOM 529 OG SER A 884 -15.601 6.001 -0.167 1.00 0.00 O ATOM 0 H SER A 884 -15.387 6.728 -3.978 1.00 0.00 H new ATOM 0 HA SER A 884 -14.043 7.690 -1.561 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.497 7.161 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.132 5.517 -2.095 1.00 0.00 H new ATOM 0 HG SER A 884 -16.464 5.705 0.192 1.00 0.00 H new ATOM 535 N ILE A 885 -13.364 4.791 -2.975 1.00 0.00 N ATOM 536 CA ILE A 885 -12.343 3.751 -3.156 1.00 0.00 C ATOM 537 C ILE A 885 -11.027 4.412 -3.610 1.00 0.00 C ATOM 538 O ILE A 885 -10.955 5.036 -4.669 1.00 0.00 O ATOM 539 CB ILE A 885 -12.868 2.670 -4.141 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.744 1.585 -3.467 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.753 1.893 -4.860 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.856 2.087 -2.542 1.00 0.00 C ATOM 0 H ILE A 885 -14.111 4.729 -3.667 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.134 3.237 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.450 3.266 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.199 0.978 -4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -13.092 0.928 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.197 1.157 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.140 2.586 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.131 1.385 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.399 1.236 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.419 2.666 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.543 2.717 -3.107 1.00 0.00 H new ATOM 603 N ARG A 890 -8.963 -1.511 -0.013 1.00 0.00 N ATOM 604 CA ARG A 890 -9.157 -2.821 -0.660 1.00 0.00 C ATOM 605 C ARG A 890 -10.647 -3.122 -0.831 1.00 0.00 C ATOM 606 O ARG A 890 -11.298 -3.624 0.088 1.00 0.00 O ATOM 607 CB ARG A 890 -8.429 -3.930 0.124 1.00 0.00 C ATOM 608 CG ARG A 890 -6.899 -3.794 0.064 1.00 0.00 C ATOM 609 CD ARG A 890 -6.218 -4.961 0.785 1.00 0.00 C ATOM 610 NE ARG A 890 -4.749 -4.817 0.765 1.00 0.00 N ATOM 611 CZ ARG A 890 -3.873 -5.564 1.414 1.00 0.00 C ATOM 612 NH1 ARG A 890 -4.237 -6.570 2.160 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -2.599 -5.310 1.327 1.00 0.00 N ATOM 0 HA ARG A 890 -8.716 -2.788 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.751 -3.904 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.719 -4.902 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.573 -3.764 -0.976 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.595 -2.852 0.521 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.567 -5.008 1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.500 -5.900 0.309 1.00 0.00 H new ATOM 0 HE ARG A 890 -4.371 -4.063 0.191 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.226 -6.802 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -3.533 -7.125 2.647 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -2.272 -4.531 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -1.928 -5.890 1.830 1.00 0.00 H new ATOM 627 N TRP A 891 -11.192 -2.812 -2.007 1.00 0.00 N ATOM 628 CA TRP A 891 -12.540 -3.234 -2.403 1.00 0.00 C ATOM 629 C TRP A 891 -12.506 -4.711 -2.821 1.00 0.00 C ATOM 630 O TRP A 891 -11.618 -5.109 -3.574 1.00 0.00 O ATOM 631 CB TRP A 891 -13.065 -2.338 -3.532 1.00 0.00 C ATOM 632 CG TRP A 891 -14.529 -2.469 -3.826 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.456 -1.583 -3.410 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.272 -3.514 -4.534 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.706 -1.955 -3.847 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.662 -3.169 -4.494 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.929 -4.725 -5.181 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.660 -4.000 -5.015 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.929 -5.569 -5.706 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.284 -5.217 -5.600 1.00 0.00 C ATOM 0 H TRP A 891 -10.711 -2.259 -2.716 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.224 -3.131 -1.560 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.854 -1.299 -3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.507 -2.563 -4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.247 -0.705 -2.817 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.553 -1.404 -3.710 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.890 -5.006 -5.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.699 -3.710 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.651 -6.492 -6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -18.043 -5.889 -5.972 1.00 0.00 H new ATOM 651 N ILE A 892 -13.442 -5.534 -2.341 1.00 0.00 N ATOM 652 CA ILE A 892 -13.486 -6.980 -2.631 1.00 0.00 C ATOM 653 C ILE A 892 -14.917 -7.495 -2.829 1.00 0.00 C ATOM 654 O ILE A 892 -15.876 -6.880 -2.345 1.00 0.00 O ATOM 655 CB ILE A 892 -12.766 -7.789 -1.525 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.511 -7.697 -0.177 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.288 -7.385 -1.371 1.00 0.00 C ATOM 658 CD1 ILE A 892 -13.120 -8.801 0.804 1.00 0.00 C ATOM 0 H ILE A 892 -14.199 -5.218 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.958 -7.127 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.781 -8.831 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.308 -6.727 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.585 -7.745 -0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.828 -7.981 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.764 -7.559 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.225 -6.329 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.680 -8.679 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.349 -9.773 0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -12.052 -8.740 1.014 1.00 0.00 H new ATOM 670 N CYS A 893 -15.056 -8.678 -3.432 1.00 0.00 N ATOM 671 CA CYS A 893 -16.320 -9.395 -3.553 1.00 0.00 C ATOM 672 C CYS A 893 -17.102 -9.482 -2.217 1.00 0.00 C ATOM 673 O CYS A 893 -18.294 -9.189 -2.205 1.00 0.00 O ATOM 674 CB CYS A 893 -16.063 -10.786 -4.149 1.00 0.00 C ATOM 675 SG CYS A 893 -15.309 -10.743 -5.804 1.00 0.00 S ATOM 0 H CYS A 893 -14.272 -9.172 -3.858 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.961 -8.826 -4.226 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.412 -11.345 -3.477 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.007 -11.329 -4.203 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.085 -10.314 -5.712 1.00 0.00 H new ATOM 680 N MET A 894 -16.474 -9.852 -1.090 1.00 0.00 N ATOM 681 CA MET A 894 -17.205 -10.036 0.180 1.00 0.00 C ATOM 682 C MET A 894 -17.813 -8.719 0.724 1.00 0.00 C ATOM 683 O MET A 894 -18.772 -8.745 1.497 1.00 0.00 O ATOM 684 CB MET A 894 -16.280 -10.734 1.190 1.00 0.00 C ATOM 685 CG MET A 894 -16.908 -10.966 2.569 1.00 0.00 C ATOM 686 SD MET A 894 -15.964 -12.060 3.670 1.00 0.00 S ATOM 687 CE MET A 894 -14.481 -11.054 3.958 1.00 0.00 C ATOM 0 H MET A 894 -15.471 -10.029 -1.029 1.00 0.00 H new ATOM 0 HA MET A 894 -18.069 -10.675 -0.002 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.972 -11.695 0.778 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.377 -10.135 1.311 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.034 -10.001 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.904 -11.386 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 894 -13.816 -11.575 4.647 1.00 0.00 H new ATOM 0 HE2 MET A 894 -13.965 -10.887 3.012 1.00 0.00 H new ATOM 0 HE3 MET A 894 -14.770 -10.095 4.388 1.00 0.00 H new ATOM 697 N ASN A 895 -17.293 -7.565 0.288 1.00 0.00 N ATOM 698 CA ASN A 895 -17.811 -6.223 0.592 1.00 0.00 C ATOM 699 C ASN A 895 -18.930 -5.760 -0.373 1.00 0.00 C ATOM 700 O ASN A 895 -19.619 -4.781 -0.083 1.00 0.00 O ATOM 701 CB ASN A 895 -16.605 -5.252 0.663 1.00 0.00 C ATOM 702 CG ASN A 895 -16.673 -4.044 -0.261 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.823 -2.908 0.164 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.552 -4.251 -1.551 1.00 0.00 N ATOM 0 H ASN A 895 -16.467 -7.538 -0.310 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.314 -6.239 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.509 -4.896 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.698 -5.811 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.583 -3.464 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.427 -5.199 -1.906 1.00 0.00 H new ATOM 711 N ASN A 896 -19.098 -6.434 -1.518 1.00 0.00 N ATOM 712 CA ASN A 896 -20.027 -6.050 -2.589 1.00 0.00 C ATOM 713 C ASN A 896 -21.473 -5.897 -2.080 1.00 0.00 C ATOM 714 O ASN A 896 -22.007 -6.764 -1.383 1.00 0.00 O ATOM 715 CB ASN A 896 -19.944 -7.086 -3.729 1.00 0.00 C ATOM 716 CG ASN A 896 -20.829 -6.812 -4.934 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.343 -5.725 -5.152 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.060 -7.812 -5.750 1.00 0.00 N ATOM 0 H ASN A 896 -18.577 -7.285 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.731 -5.071 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.909 -7.145 -4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.204 -8.065 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.665 -7.680 -6.560 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.634 -8.722 -5.574 1.00 0.00 H new ATOM 725 N SER A 897 -22.113 -4.806 -2.499 1.00 0.00 N ATOM 726 CA SER A 897 -23.541 -4.535 -2.277 1.00 0.00 C ATOM 727 C SER A 897 -24.466 -5.626 -2.829 1.00 0.00 C ATOM 728 O SER A 897 -25.465 -5.981 -2.202 1.00 0.00 O ATOM 729 CB SER A 897 -23.915 -3.225 -2.977 1.00 0.00 C ATOM 730 OG SER A 897 -23.501 -2.102 -2.213 1.00 0.00 O ATOM 0 H SER A 897 -21.644 -4.063 -3.017 1.00 0.00 H new ATOM 0 HA SER A 897 -23.679 -4.490 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.450 -3.190 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.993 -3.186 -3.131 1.00 0.00 H new ATOM 0 HG SER A 897 -23.750 -1.278 -2.682 1.00 0.00 H new ATOM 736 N ASP A 898 -24.145 -6.150 -4.012 1.00 0.00 N ATOM 737 CA ASP A 898 -24.977 -7.123 -4.732 1.00 0.00 C ATOM 738 C ASP A 898 -24.654 -8.562 -4.312 1.00 0.00 C ATOM 739 O ASP A 898 -23.724 -9.199 -4.814 1.00 0.00 O ATOM 740 CB ASP A 898 -24.862 -6.950 -6.254 1.00 0.00 C ATOM 741 CG ASP A 898 -24.982 -5.495 -6.750 1.00 0.00 C ATOM 742 OD1 ASP A 898 -24.213 -5.122 -7.669 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.861 -4.743 -6.268 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.287 -5.909 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 898 -26.013 -6.924 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.903 -7.352 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.638 -7.548 -6.733 1.00 0.00 H new ATOM 748 N LYS A 899 -25.479 -9.098 -3.413 1.00 0.00 N ATOM 749 CA LYS A 899 -25.331 -10.419 -2.770 1.00 0.00 C ATOM 750 C LYS A 899 -25.327 -11.593 -3.760 1.00 0.00 C ATOM 751 O LYS A 899 -24.825 -12.669 -3.436 1.00 0.00 O ATOM 752 CB LYS A 899 -26.443 -10.597 -1.717 1.00 0.00 C ATOM 753 CG LYS A 899 -26.399 -9.559 -0.581 1.00 0.00 C ATOM 754 CD LYS A 899 -25.421 -9.979 0.521 1.00 0.00 C ATOM 755 CE LYS A 899 -26.035 -11.074 1.404 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.101 -11.501 2.479 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.312 -8.605 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.350 -10.437 -2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.412 -10.538 -2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.366 -11.595 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.103 -8.590 -0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.396 -9.438 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.496 -10.342 0.074 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.162 -9.115 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.959 -10.706 1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.298 -11.934 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.550 -12.241 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.229 -11.875 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -24.870 -10.686 3.082 1.00 0.00 H new ATOM 770 N ARG A 900 -25.817 -11.368 -4.986 1.00 0.00 N ATOM 771 CA ARG A 900 -25.753 -12.303 -6.125 1.00 0.00 C ATOM 772 C ARG A 900 -24.325 -12.551 -6.631 1.00 0.00 C ATOM 773 O ARG A 900 -24.059 -13.611 -7.194 1.00 0.00 O ATOM 774 CB ARG A 900 -26.617 -11.744 -7.266 1.00 0.00 C ATOM 775 CG ARG A 900 -28.121 -11.898 -6.994 1.00 0.00 C ATOM 776 CD ARG A 900 -28.940 -11.348 -8.168 1.00 0.00 C ATOM 777 NE ARG A 900 -30.389 -11.489 -7.927 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.363 -11.126 -8.744 1.00 0.00 C ATOM 779 NH1 ARG A 900 -31.129 -10.580 -9.905 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.608 -11.309 -8.406 1.00 0.00 N ATOM 0 H ARG A 900 -26.288 -10.496 -5.225 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.127 -13.267 -5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.383 -10.689 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.364 -12.257 -8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.362 -12.949 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.387 -11.369 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.696 -10.297 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.669 -11.876 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.667 -11.909 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.169 -10.420 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.906 -10.313 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.835 -11.734 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.355 -11.027 -9.040 1.00 0.00 H new ATOM 794 N PHE A 901 -23.414 -11.596 -6.415 1.00 0.00 N ATOM 795 CA PHE A 901 -22.027 -11.635 -6.915 1.00 0.00 C ATOM 796 C PHE A 901 -20.955 -11.358 -5.847 1.00 0.00 C ATOM 797 O PHE A 901 -19.782 -11.170 -6.172 1.00 0.00 O ATOM 798 CB PHE A 901 -21.851 -10.717 -8.143 1.00 0.00 C ATOM 799 CG PHE A 901 -22.993 -10.688 -9.152 1.00 0.00 C ATOM 800 CD1 PHE A 901 -22.894 -11.374 -10.376 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.142 -9.914 -8.891 1.00 0.00 C ATOM 802 CE1 PHE A 901 -23.947 -11.334 -11.307 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.196 -9.870 -9.822 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.105 -10.591 -11.023 1.00 0.00 C ATOM 0 H PHE A 901 -23.620 -10.755 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.860 -12.668 -7.221 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.688 -9.700 -7.786 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.944 -11.020 -8.666 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -22.001 -11.937 -10.603 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.214 -9.352 -7.972 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.866 -11.874 -12.239 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.076 -9.281 -9.612 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.924 -10.575 -11.727 1.00 0.00 H new ATOM 814 N ALA A 902 -21.357 -11.313 -4.579 1.00 0.00 N ATOM 815 CA ALA A 902 -20.570 -10.912 -3.412 1.00 0.00 C ATOM 816 C ALA A 902 -19.660 -12.021 -2.834 1.00 0.00 C ATOM 817 O ALA A 902 -19.483 -12.139 -1.621 1.00 0.00 O ATOM 818 CB ALA A 902 -21.525 -10.291 -2.379 1.00 0.00 C ATOM 0 H ALA A 902 -22.308 -11.574 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.843 -10.164 -3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.960 -9.984 -1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.017 -9.422 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.276 -11.026 -2.090 1.00 0.00 H new ATOM 824 N ASP A 903 -19.073 -12.834 -3.710 1.00 0.00 N ATOM 825 CA ASP A 903 -17.980 -13.768 -3.398 1.00 0.00 C ATOM 826 C ASP A 903 -17.065 -13.987 -4.605 1.00 0.00 C ATOM 827 O ASP A 903 -17.513 -13.986 -5.753 1.00 0.00 O ATOM 828 CB ASP A 903 -18.519 -15.101 -2.841 1.00 0.00 C ATOM 829 CG ASP A 903 -18.539 -15.186 -1.301 1.00 0.00 C ATOM 830 OD1 ASP A 903 -17.533 -14.814 -0.648 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.529 -15.717 -0.740 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.351 -12.866 -4.691 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.374 -13.312 -2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.532 -15.254 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -17.909 -15.916 -3.230 1.00 0.00 H new ATOM 836 N CYS A 904 -15.785 -14.251 -4.333 1.00 0.00 N ATOM 837 CA CYS A 904 -14.771 -14.612 -5.319 1.00 0.00 C ATOM 838 C CYS A 904 -15.156 -15.883 -6.134 1.00 0.00 C ATOM 839 O CYS A 904 -14.585 -16.152 -7.193 1.00 0.00 O ATOM 840 CB CYS A 904 -13.445 -14.758 -4.543 1.00 0.00 C ATOM 841 SG CYS A 904 -12.995 -13.225 -3.647 1.00 0.00 S ATOM 0 H CYS A 904 -15.415 -14.217 -3.383 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.675 -13.840 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.530 -15.580 -3.833 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.646 -15.019 -5.238 1.00 0.00 H new ATOM 0 HG CYS A 904 -11.875 -13.406 -3.012 1.00 0.00 H new ATOM 846 N SER A 905 -16.119 -16.661 -5.621 1.00 0.00 N ATOM 847 CA SER A 905 -16.666 -17.876 -6.242 1.00 0.00 C ATOM 848 C SER A 905 -17.852 -17.592 -7.172 1.00 0.00 C ATOM 849 O SER A 905 -18.223 -18.454 -7.974 1.00 0.00 O ATOM 850 CB SER A 905 -17.133 -18.854 -5.156 1.00 0.00 C ATOM 851 OG SER A 905 -16.087 -19.162 -4.243 1.00 0.00 O ATOM 0 H SER A 905 -16.557 -16.452 -4.724 1.00 0.00 H new ATOM 0 HA SER A 905 -15.861 -18.303 -6.840 1.00 0.00 H new ATOM 0 HB2 SER A 905 -17.974 -18.422 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.492 -19.772 -5.622 1.00 0.00 H new ATOM 0 HG SER A 905 -16.419 -19.786 -3.564 1.00 0.00 H new ATOM 857 N LYS A 906 -18.483 -16.413 -7.054 1.00 0.00 N ATOM 858 CA LYS A 906 -19.635 -16.008 -7.878 1.00 0.00 C ATOM 859 C LYS A 906 -19.249 -15.545 -9.294 1.00 0.00 C ATOM 860 O LYS A 906 -18.075 -15.485 -9.660 1.00 0.00 O ATOM 861 CB LYS A 906 -20.405 -14.904 -7.146 1.00 0.00 C ATOM 862 CG LYS A 906 -21.137 -15.299 -5.856 1.00 0.00 C ATOM 863 CD LYS A 906 -22.266 -16.332 -6.023 1.00 0.00 C ATOM 864 CE LYS A 906 -21.773 -17.776 -5.841 1.00 0.00 C ATOM 865 NZ LYS A 906 -22.887 -18.753 -5.976 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.205 -15.705 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.261 -16.889 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.704 -14.105 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.138 -14.488 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.406 -15.696 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.556 -14.399 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.053 -16.126 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.709 -16.225 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.004 -17.995 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.311 -17.883 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -22.520 -19.718 -5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.609 -18.558 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.312 -18.667 -6.922 1.00 0.00 H new ATOM 879 N SER A 907 -20.276 -15.212 -10.078 1.00 0.00 N ATOM 880 CA SER A 907 -20.187 -14.774 -11.476 1.00 0.00 C ATOM 881 C SER A 907 -19.992 -13.247 -11.622 1.00 0.00 C ATOM 882 O SER A 907 -19.601 -12.560 -10.672 1.00 0.00 O ATOM 883 CB SER A 907 -21.424 -15.317 -12.215 1.00 0.00 C ATOM 884 OG SER A 907 -21.281 -15.219 -13.623 1.00 0.00 O ATOM 0 H SER A 907 -21.238 -15.241 -9.742 1.00 0.00 H new ATOM 0 HA SER A 907 -19.288 -15.184 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.585 -16.359 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.308 -14.763 -11.900 1.00 0.00 H new ATOM 0 HG SER A 907 -22.084 -15.574 -14.059 1.00 0.00 H new ATOM 890 N GLN A 908 -20.267 -12.708 -12.813 1.00 0.00 N ATOM 891 CA GLN A 908 -20.082 -11.315 -13.241 1.00 0.00 C ATOM 892 C GLN A 908 -21.096 -10.960 -14.354 1.00 0.00 C ATOM 893 O GLN A 908 -21.534 -11.854 -15.081 1.00 0.00 O ATOM 894 CB GLN A 908 -18.626 -11.197 -13.723 1.00 0.00 C ATOM 895 CG GLN A 908 -18.120 -9.773 -13.977 1.00 0.00 C ATOM 896 CD GLN A 908 -16.591 -9.767 -14.051 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.892 -10.063 -13.092 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.008 -9.470 -15.187 1.00 0.00 N ATOM 0 H GLN A 908 -20.656 -13.278 -13.564 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.263 -10.611 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -17.979 -11.665 -12.981 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.521 -11.769 -14.645 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.539 -9.390 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.456 -9.111 -13.179 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.572 -9.220 -16.000 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.991 -9.489 -15.258 1.00 0.00 H new ATOM 907 N GLU A 909 -21.481 -9.684 -14.530 1.00 0.00 N ATOM 908 CA GLU A 909 -22.448 -9.305 -15.590 1.00 0.00 C ATOM 909 C GLU A 909 -21.894 -9.551 -17.008 1.00 0.00 C ATOM 910 O GLU A 909 -22.633 -9.952 -17.910 1.00 0.00 O ATOM 911 CB GLU A 909 -22.825 -7.815 -15.522 1.00 0.00 C ATOM 912 CG GLU A 909 -23.281 -7.241 -14.175 1.00 0.00 C ATOM 913 CD GLU A 909 -24.581 -7.840 -13.599 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.400 -8.434 -14.342 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.785 -7.683 -12.371 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.147 -8.904 -13.964 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.319 -9.935 -15.407 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.962 -7.238 -15.854 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.622 -7.640 -16.245 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.482 -7.388 -13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.416 -6.165 -14.286 1.00 0.00 H new ATOM 922 N MET A 910 -20.591 -9.302 -17.201 1.00 0.00 N ATOM 923 CA MET A 910 -19.869 -9.444 -18.476 1.00 0.00 C ATOM 924 C MET A 910 -18.448 -9.948 -18.222 1.00 0.00 C ATOM 925 O MET A 910 -17.807 -9.475 -17.283 1.00 0.00 O ATOM 926 CB MET A 910 -19.777 -8.089 -19.202 1.00 0.00 C ATOM 927 CG MET A 910 -21.128 -7.470 -19.571 1.00 0.00 C ATOM 928 SD MET A 910 -20.965 -5.933 -20.518 1.00 0.00 S ATOM 929 CE MET A 910 -22.716 -5.483 -20.664 1.00 0.00 C ATOM 0 H MET A 910 -19.986 -8.983 -16.444 1.00 0.00 H new ATOM 0 HA MET A 910 -20.418 -10.156 -19.093 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.232 -7.389 -18.569 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.191 -8.218 -20.112 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.705 -8.189 -20.152 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.692 -7.271 -18.660 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.807 -4.552 -21.224 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.253 -6.275 -21.187 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.142 -5.351 -19.669 1.00 0.00 H new ATOM 939 N SER A 911 -17.915 -10.852 -19.048 1.00 0.00 N ATOM 940 CA SER A 911 -16.516 -11.305 -18.921 1.00 0.00 C ATOM 941 C SER A 911 -15.545 -10.151 -19.185 1.00 0.00 C ATOM 942 O SER A 911 -15.894 -9.179 -19.856 1.00 0.00 O ATOM 943 CB SER A 911 -16.183 -12.450 -19.882 1.00 0.00 C ATOM 944 OG SER A 911 -17.255 -13.375 -20.013 1.00 0.00 O ATOM 0 H SER A 911 -18.427 -11.289 -19.815 1.00 0.00 H new ATOM 0 HA SER A 911 -16.405 -11.666 -17.899 1.00 0.00 H new ATOM 0 HB2 SER A 911 -15.939 -12.039 -20.862 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.296 -12.974 -19.526 1.00 0.00 H new ATOM 0 HG SER A 911 -16.999 -14.087 -20.636 1.00 0.00 H new ATOM 950 N ASN A 912 -14.309 -10.248 -18.698 1.00 0.00 N ATOM 951 CA ASN A 912 -13.377 -9.107 -18.674 1.00 0.00 C ATOM 952 C ASN A 912 -13.030 -8.605 -20.096 1.00 0.00 C ATOM 953 O ASN A 912 -12.814 -7.409 -20.289 1.00 0.00 O ATOM 954 CB ASN A 912 -12.109 -9.442 -17.856 1.00 0.00 C ATOM 955 CG ASN A 912 -12.348 -9.804 -16.394 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.377 -10.321 -15.988 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.411 -9.502 -15.530 1.00 0.00 N ATOM 0 H ASN A 912 -13.922 -11.109 -18.311 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.886 -8.284 -18.173 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.595 -10.273 -18.339 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.436 -8.586 -17.895 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.549 -9.699 -14.539 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.544 -9.070 -15.848 1.00 0.00 H new ATOM 964 N GLU A 913 -13.057 -9.508 -21.083 1.00 0.00 N ATOM 965 CA GLU A 913 -12.888 -9.247 -22.526 1.00 0.00 C ATOM 966 C GLU A 913 -14.152 -8.709 -23.249 1.00 0.00 C ATOM 967 O GLU A 913 -14.118 -8.449 -24.453 1.00 0.00 O ATOM 968 CB GLU A 913 -12.361 -10.527 -23.202 1.00 0.00 C ATOM 969 CG GLU A 913 -13.377 -11.685 -23.221 1.00 0.00 C ATOM 970 CD GLU A 913 -12.764 -13.004 -23.744 1.00 0.00 C ATOM 971 OE1 GLU A 913 -12.039 -13.002 -24.770 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.019 -14.073 -23.134 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.206 -10.499 -20.890 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.167 -8.434 -22.616 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.072 -10.293 -24.227 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -11.460 -10.855 -22.684 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.762 -11.842 -22.214 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -14.225 -11.409 -23.847 1.00 0.00 H new ATOM 979 N GLU A 914 -15.274 -8.555 -22.540 1.00 0.00 N ATOM 980 CA GLU A 914 -16.535 -7.975 -23.026 1.00 0.00 C ATOM 981 C GLU A 914 -16.795 -6.586 -22.411 1.00 0.00 C ATOM 982 O GLU A 914 -17.221 -5.672 -23.120 1.00 0.00 O ATOM 983 CB GLU A 914 -17.707 -8.923 -22.706 1.00 0.00 C ATOM 984 CG GLU A 914 -17.606 -10.325 -23.331 1.00 0.00 C ATOM 985 CD GLU A 914 -17.625 -10.339 -24.878 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.324 -9.506 -25.506 1.00 0.00 O ATOM 987 OE2 GLU A 914 -16.984 -11.233 -25.483 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.333 -8.845 -21.564 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.452 -7.850 -24.106 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.782 -9.030 -21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.633 -8.458 -23.045 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -16.686 -10.797 -22.987 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.433 -10.933 -22.964 1.00 0.00 H new ATOM 994 N ILE A 915 -16.495 -6.389 -21.116 1.00 0.00 N ATOM 995 CA ILE A 915 -16.545 -5.063 -20.469 1.00 0.00 C ATOM 996 C ILE A 915 -15.489 -4.105 -21.061 1.00 0.00 C ATOM 997 O ILE A 915 -15.827 -3.016 -21.517 1.00 0.00 O ATOM 998 CB ILE A 915 -16.534 -5.171 -18.913 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.162 -3.869 -18.181 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.645 -6.280 -18.336 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.075 -2.706 -18.544 1.00 0.00 C ATOM 0 H ILE A 915 -16.212 -7.141 -20.488 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.506 -4.603 -20.702 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.579 -5.418 -18.726 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.206 -4.037 -17.105 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.132 -3.605 -18.420 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.709 -6.269 -17.248 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.981 -7.247 -18.709 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.612 -6.113 -18.640 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.765 -1.815 -17.998 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -17.012 -2.515 -19.615 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.103 -2.954 -18.279 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.215 -4.495 -21.128 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.128 -3.649 -21.675 1.00 0.00 C ATOM 1015 C ASN A 916 -13.424 -3.106 -23.099 1.00 0.00 C ATOM 1016 O ASN A 916 -13.049 -1.982 -23.428 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.767 -4.384 -21.596 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.628 -5.598 -22.513 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.561 -6.056 -23.152 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.454 -6.173 -22.621 1.00 0.00 N ATOM 0 H ASN A 916 -13.896 -5.409 -20.806 1.00 0.00 H new ATOM 0 HA ASN A 916 -13.070 -2.763 -21.042 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.975 -3.675 -21.836 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.605 -4.706 -20.567 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.337 -6.984 -23.229 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.658 -5.809 -22.097 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.178 -3.849 -23.911 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.679 -3.441 -25.228 1.00 0.00 C ATOM 1029 C GLU A 917 -15.721 -2.305 -25.181 1.00 0.00 C ATOM 1030 O GLU A 917 -15.728 -1.449 -26.066 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.267 -4.670 -25.936 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.230 -5.325 -26.865 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.782 -6.483 -27.731 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -13.964 -7.274 -28.264 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -16.015 -6.590 -27.951 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.470 -4.793 -23.659 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.831 -3.037 -25.780 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.603 -5.394 -25.194 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.143 -4.376 -26.514 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.818 -4.561 -27.524 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -13.406 -5.702 -26.259 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.569 -2.248 -24.148 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.475 -1.106 -23.897 1.00 0.00 C ATOM 1044 C GLU A 918 -16.701 0.184 -23.577 1.00 0.00 C ATOM 1045 O GLU A 918 -17.074 1.271 -24.024 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.460 -1.417 -22.748 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.506 -0.298 -22.575 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.726 -0.708 -21.726 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.841 -0.223 -22.040 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.587 -1.467 -20.739 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.652 -2.993 -23.456 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.038 -0.948 -24.817 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.967 -2.361 -22.949 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.906 -1.544 -21.818 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.027 0.565 -22.112 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.851 0.019 -23.559 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.604 0.063 -22.819 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.725 1.177 -22.450 1.00 0.00 C ATOM 1059 C LEU A 919 -13.794 1.593 -23.610 1.00 0.00 C ATOM 1060 O LEU A 919 -13.356 2.743 -23.675 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.919 0.737 -21.221 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.786 0.543 -19.964 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.325 -0.688 -19.199 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.666 1.723 -19.013 1.00 0.00 C ATOM 0 H LEU A 919 -15.297 -0.832 -22.438 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.324 2.058 -22.221 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.405 -0.197 -21.447 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.151 1.482 -21.013 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.817 0.442 -20.304 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.944 -0.818 -18.311 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.416 -1.568 -19.836 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.284 -0.562 -18.901 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.292 1.550 -18.138 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.628 1.834 -18.700 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.992 2.632 -19.518 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.515 0.665 -24.530 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.704 0.872 -25.738 1.00 0.00 C ATOM 1078 C GLY A 920 -11.205 0.626 -25.519 1.00 0.00 C ATOM 1079 O GLY A 920 -10.370 1.318 -26.105 1.00 0.00 O ATOM 0 H GLY A 920 -13.861 -0.291 -24.452 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -13.062 0.208 -26.524 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.849 1.893 -26.093 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.870 -0.320 -24.637 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.528 -0.556 -24.076 1.00 0.00 C ATOM 1085 C ILE A 921 -9.200 -2.058 -23.984 1.00 0.00 C ATOM 1086 O ILE A 921 -10.056 -2.919 -24.196 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.405 0.120 -22.686 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.399 -0.508 -21.685 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.559 1.647 -22.791 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.326 0.052 -20.265 1.00 0.00 C ATOM 0 H ILE A 921 -11.560 -0.978 -24.274 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.800 -0.110 -24.753 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.402 -0.063 -22.300 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.411 -0.366 -22.064 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.221 -1.583 -21.645 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.468 2.091 -21.800 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.781 2.047 -23.441 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.538 1.886 -23.207 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.061 -0.451 -19.637 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.328 -0.114 -19.859 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.537 1.121 -20.284 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.639 3.332 -16.082 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.715 4.328 -15.958 1.00 0.00 C ATOM 1264 C GLN B 5 -15.622 4.364 -17.200 1.00 0.00 C ATOM 1265 O GLN B 5 -15.304 4.976 -18.218 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.053 5.661 -15.585 1.00 0.00 C ATOM 1267 CG GLN B 5 -15.018 6.754 -15.114 1.00 0.00 C ATOM 1268 CD GLN B 5 -15.668 7.563 -16.235 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -15.052 7.984 -17.205 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -16.949 7.826 -16.126 1.00 0.00 N ATOM 0 HA GLN B 5 -15.415 4.065 -15.165 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -13.322 5.479 -14.797 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -13.503 6.031 -16.450 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -15.804 6.292 -14.516 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.478 7.437 -14.458 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -17.474 7.481 -15.322 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -17.420 8.375 -16.845 1.00 0.00 H new ATOM 1279 N THR B 6 -16.747 3.649 -17.114 1.00 0.00 N ATOM 1280 CA THR B 6 -17.690 3.376 -18.220 1.00 0.00 C ATOM 1281 C THR B 6 -18.432 4.600 -18.748 1.00 0.00 C ATOM 1282 O THR B 6 -18.630 4.698 -19.958 1.00 0.00 O ATOM 1283 CB THR B 6 -18.763 2.333 -17.840 1.00 0.00 C ATOM 1284 OG1 THR B 6 -18.810 2.097 -16.448 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.503 1.008 -18.553 1.00 0.00 C ATOM 0 H THR B 6 -17.045 3.223 -16.237 1.00 0.00 H new ATOM 0 HA THR B 6 -17.032 2.999 -19.004 1.00 0.00 H new ATOM 0 HB THR B 6 -19.721 2.747 -18.154 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.753 1.134 -16.277 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.270 0.287 -18.272 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.530 1.164 -19.631 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.523 0.626 -18.266 1.00 0.00 H new