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= 1.78 K(o=2.3,f=-0.32) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.512 K(o=2.3,f=-3.5!) USER MOD Set 2.1: A 868 CYS SG : rot -147:sc= 1.97 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.01 USER MOD Set 2.3: A 893 CYS SG : rot 69:sc= -2.16! USER MOD Set 2.4: A 904 CYS SG : rot -22:sc= 0.0841 USER MOD Single : A 863 SER OG : rot -25:sc= 0.772 USER MOD Single : A 873 LYS NZ :NH3+ 178:sc= 1.43 (180deg=1.42) 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 -167:sc=-0.00395 (180deg=-0.241) USER MOD Single : A 895 ASN : amide:sc= 2.19 K(o=2.2,f=-0.0065) USER MOD Single : A 896 ASN : amide:sc= -0.0235 X(o=-0.024,f=-0.27) 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 66:sc= 0.0817 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc=0.000213 USER MOD Single : A 916 ASN : amide:sc= -0.138 K(o=-0.14,f=-5.2!) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : B 6 THR OG1 : rot 59:sc= 0.644 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.151 6.338 -13.550 1.00 0.00 N ATOM 189 CA SER A 863 -20.994 4.961 -13.043 1.00 0.00 C ATOM 190 C SER A 863 -19.859 4.177 -13.719 1.00 0.00 C ATOM 191 O SER A 863 -19.677 4.192 -14.940 1.00 0.00 O ATOM 192 CB SER A 863 -22.310 4.175 -13.128 1.00 0.00 C ATOM 193 OG SER A 863 -22.777 4.063 -14.460 1.00 0.00 O ATOM 0 HA SER A 863 -20.713 5.072 -11.996 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.165 3.179 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.067 4.669 -12.519 1.00 0.00 H new ATOM 0 HG SER A 863 -22.422 4.804 -14.995 1.00 0.00 H new ATOM 199 N ALA A 864 -19.084 3.492 -12.881 1.00 0.00 N ATOM 200 CA ALA A 864 -17.783 2.920 -13.215 1.00 0.00 C ATOM 201 C ALA A 864 -17.680 1.463 -12.739 1.00 0.00 C ATOM 202 O ALA A 864 -18.641 0.897 -12.222 1.00 0.00 O ATOM 203 CB ALA A 864 -16.716 3.819 -12.571 1.00 0.00 C ATOM 0 H ALA A 864 -19.356 3.314 -11.914 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.637 2.888 -14.295 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.725 3.426 -12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.804 4.830 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.861 3.839 -11.491 1.00 0.00 H new ATOM 209 N TRP A 865 -16.517 0.844 -12.904 1.00 0.00 N ATOM 210 CA TRP A 865 -16.229 -0.481 -12.342 1.00 0.00 C ATOM 211 C TRP A 865 -15.290 -0.416 -11.129 1.00 0.00 C ATOM 212 O TRP A 865 -14.812 0.650 -10.738 1.00 0.00 O ATOM 213 CB TRP A 865 -15.727 -1.359 -13.485 1.00 0.00 C ATOM 214 CG TRP A 865 -16.767 -1.541 -14.549 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.119 -0.616 -15.469 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.671 -2.665 -14.757 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.190 -1.070 -16.204 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.523 -2.366 -15.862 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.808 -3.937 -14.160 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.413 -3.312 -16.396 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.719 -4.884 -14.665 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.503 -4.579 -15.791 1.00 0.00 C ATOM 0 H TRP A 865 -15.741 1.244 -13.432 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.132 -0.930 -11.927 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.835 -0.911 -13.922 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.435 -2.333 -13.093 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.632 0.338 -15.607 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.676 -0.519 -16.912 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.203 -4.188 -13.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.019 -3.071 -17.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.816 -5.847 -14.186 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.177 -5.320 -16.193 1.00 0.00 H new ATOM 233 N VAL A 866 -15.043 -1.581 -10.528 1.00 0.00 N ATOM 234 CA VAL A 866 -13.967 -1.827 -9.548 1.00 0.00 C ATOM 235 C VAL A 866 -13.468 -3.278 -9.640 1.00 0.00 C ATOM 236 O VAL A 866 -14.271 -4.191 -9.854 1.00 0.00 O ATOM 237 CB VAL A 866 -14.421 -1.428 -8.127 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.647 -2.211 -7.650 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.308 -1.575 -7.086 1.00 0.00 C ATOM 0 H VAL A 866 -15.603 -2.413 -10.712 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.114 -1.193 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.689 -0.375 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -15.918 -1.886 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.481 -2.029 -8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.416 -3.276 -7.637 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.685 -1.281 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -12.978 -2.613 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.468 -0.936 -7.359 1.00 0.00 H new ATOM 249 N ARG A 867 -12.145 -3.491 -9.527 1.00 0.00 N ATOM 250 CA ARG A 867 -11.504 -4.824 -9.466 1.00 0.00 C ATOM 251 C ARG A 867 -11.328 -5.260 -8.011 1.00 0.00 C ATOM 252 O ARG A 867 -10.898 -4.450 -7.184 1.00 0.00 O ATOM 253 CB ARG A 867 -10.122 -4.784 -10.148 1.00 0.00 C ATOM 254 CG ARG A 867 -9.672 -6.059 -10.887 1.00 0.00 C ATOM 255 CD ARG A 867 -8.219 -5.871 -11.352 1.00 0.00 C ATOM 256 NE ARG A 867 -7.522 -7.093 -11.813 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.634 -7.664 -12.999 1.00 0.00 C ATOM 258 NH1 ARG A 867 -8.718 -7.606 -13.705 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.659 -8.345 -13.521 1.00 0.00 N ATOM 0 H ARG A 867 -11.473 -2.726 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.146 -5.536 -9.985 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.119 -3.960 -10.861 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.376 -4.551 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.749 -6.925 -10.229 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.321 -6.249 -11.742 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.209 -5.143 -12.163 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.648 -5.439 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.891 -7.539 -11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -9.532 -7.104 -13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.758 -8.063 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.780 -8.449 -13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.772 -8.776 -14.439 1.00 0.00 H new ATOM 273 N CYS A 868 -11.558 -6.536 -7.721 1.00 0.00 N ATOM 274 CA CYS A 868 -11.287 -7.135 -6.423 1.00 0.00 C ATOM 275 C CYS A 868 -9.771 -7.234 -6.106 1.00 0.00 C ATOM 276 O CYS A 868 -8.994 -7.782 -6.894 1.00 0.00 O ATOM 277 CB CYS A 868 -11.994 -8.490 -6.433 1.00 0.00 C ATOM 278 SG CYS A 868 -11.764 -9.387 -4.869 1.00 0.00 S ATOM 0 H CYS A 868 -11.946 -7.194 -8.397 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.668 -6.509 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.059 -8.342 -6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.612 -9.093 -7.257 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.732 -10.665 -5.103 1.00 0.00 H new ATOM 283 N ASP A 869 -9.360 -6.739 -4.935 1.00 0.00 N ATOM 284 CA ASP A 869 -8.019 -6.940 -4.364 1.00 0.00 C ATOM 285 C ASP A 869 -7.727 -8.381 -3.883 1.00 0.00 C ATOM 286 O ASP A 869 -6.563 -8.707 -3.640 1.00 0.00 O ATOM 287 CB ASP A 869 -7.799 -5.946 -3.209 1.00 0.00 C ATOM 288 CG ASP A 869 -7.347 -4.580 -3.729 1.00 0.00 C ATOM 289 OD1 ASP A 869 -6.121 -4.356 -3.862 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.218 -3.728 -4.009 1.00 0.00 O1- ATOM 0 H ASP A 869 -9.964 -6.172 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.317 -6.759 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.723 -5.834 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.050 -6.342 -2.523 1.00 0.00 H new ATOM 295 N ASP A 870 -8.738 -9.250 -3.744 1.00 0.00 N ATOM 296 CA ASP A 870 -8.569 -10.636 -3.268 1.00 0.00 C ATOM 297 C ASP A 870 -8.544 -11.664 -4.418 1.00 0.00 C ATOM 298 O ASP A 870 -7.886 -12.703 -4.302 1.00 0.00 O ATOM 299 CB ASP A 870 -9.660 -10.976 -2.235 1.00 0.00 C ATOM 300 CG ASP A 870 -9.348 -12.212 -1.361 1.00 0.00 C ATOM 301 OD1 ASP A 870 -10.306 -12.858 -0.871 1.00 0.00 O ATOM 302 OD2 ASP A 870 -8.161 -12.515 -1.087 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.706 -9.011 -3.960 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.593 -10.699 -2.787 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.809 -10.114 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.600 -11.145 -2.760 1.00 0.00 H new ATOM 307 N CYS A 871 -9.197 -11.352 -5.547 1.00 0.00 N ATOM 308 CA CYS A 871 -9.042 -12.049 -6.818 1.00 0.00 C ATOM 309 C CYS A 871 -8.630 -11.080 -7.964 1.00 0.00 C ATOM 310 O CYS A 871 -7.463 -10.690 -8.065 1.00 0.00 O ATOM 311 CB CYS A 871 -10.254 -12.998 -7.047 1.00 0.00 C ATOM 312 SG CYS A 871 -11.869 -12.238 -7.473 1.00 0.00 S ATOM 0 H CYS A 871 -9.866 -10.584 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.187 -12.725 -6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.990 -13.692 -7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.391 -13.590 -6.142 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.760 -13.172 -7.629 1.00 0.00 H new ATOM 317 N PHE A 872 -9.590 -10.727 -8.819 1.00 0.00 N ATOM 318 CA PHE A 872 -9.473 -9.884 -10.027 1.00 0.00 C ATOM 319 C PHE A 872 -10.820 -9.576 -10.729 1.00 0.00 C ATOM 320 O PHE A 872 -10.869 -8.750 -11.642 1.00 0.00 O ATOM 321 CB PHE A 872 -8.568 -10.562 -11.063 1.00 0.00 C ATOM 322 CG PHE A 872 -9.152 -11.783 -11.757 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.136 -13.039 -11.121 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.718 -11.660 -13.042 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.693 -14.162 -11.760 1.00 0.00 C ATOM 326 CE2 PHE A 872 -10.272 -12.783 -13.682 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.262 -14.034 -13.039 1.00 0.00 C ATOM 0 H PHE A 872 -10.549 -11.044 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.059 -8.942 -9.667 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.305 -9.827 -11.824 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.641 -10.857 -10.570 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -8.695 -13.141 -10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -9.726 -10.700 -13.537 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -9.683 -15.123 -11.267 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -10.705 -12.685 -14.667 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.691 -14.896 -13.528 1.00 0.00 H new ATOM 337 N LYS A 873 -11.903 -10.260 -10.340 1.00 0.00 N ATOM 338 CA LYS A 873 -13.287 -10.065 -10.808 1.00 0.00 C ATOM 339 C LYS A 873 -13.718 -8.597 -10.793 1.00 0.00 C ATOM 340 O LYS A 873 -13.323 -7.832 -9.910 1.00 0.00 O ATOM 341 CB LYS A 873 -14.202 -10.901 -9.913 1.00 0.00 C ATOM 342 CG LYS A 873 -15.590 -11.203 -10.490 1.00 0.00 C ATOM 343 CD LYS A 873 -16.673 -10.346 -9.837 1.00 0.00 C ATOM 344 CE LYS A 873 -16.991 -10.871 -8.434 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.889 -12.049 -8.437 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.836 -11.008 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.354 -10.384 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.704 -11.846 -9.695 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.327 -10.381 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.584 -11.024 -11.565 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.823 -12.258 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.340 -9.310 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.574 -10.357 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.060 -11.135 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.452 -10.073 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.037 -12.375 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.804 -11.787 -8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.458 -12.813 -8.995 1.00 0.00 H new ATOM 359 N TRP A 874 -14.569 -8.238 -11.753 1.00 0.00 N ATOM 360 CA TRP A 874 -15.109 -6.887 -11.906 1.00 0.00 C ATOM 361 C TRP A 874 -16.549 -6.751 -11.401 1.00 0.00 C ATOM 362 O TRP A 874 -17.336 -7.695 -11.489 1.00 0.00 O ATOM 363 CB TRP A 874 -15.032 -6.447 -13.378 1.00 0.00 C ATOM 364 CG TRP A 874 -13.665 -6.425 -13.984 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.129 -7.335 -14.832 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.623 -5.438 -13.751 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.819 -6.981 -15.117 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.459 -5.842 -14.458 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.531 -4.253 -12.998 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.256 -5.141 -14.407 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.314 -3.554 -12.927 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.175 -3.997 -13.612 1.00 0.00 C ATOM 0 H TRP A 874 -14.909 -8.890 -12.460 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.492 -6.237 -11.286 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.659 -7.114 -13.969 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.461 -5.448 -13.461 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.642 -8.201 -15.225 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.204 -7.505 -15.739 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.398 -3.880 -12.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.400 -5.477 -14.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.255 -2.655 -12.331 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.243 -3.458 -13.526 1.00 0.00 H new ATOM 383 N ARG A 875 -16.923 -5.550 -10.944 1.00 0.00 N ATOM 384 CA ARG A 875 -18.292 -5.191 -10.532 1.00 0.00 C ATOM 385 C ARG A 875 -18.617 -3.758 -10.942 1.00 0.00 C ATOM 386 O ARG A 875 -17.789 -2.867 -10.754 1.00 0.00 O ATOM 387 CB ARG A 875 -18.453 -5.358 -9.006 1.00 0.00 C ATOM 388 CG ARG A 875 -18.585 -6.819 -8.530 1.00 0.00 C ATOM 389 CD ARG A 875 -19.772 -7.585 -9.128 1.00 0.00 C ATOM 390 NE ARG A 875 -21.049 -6.840 -9.014 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.096 -6.977 -9.808 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.151 -7.878 -10.738 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.145 -6.227 -9.712 1.00 0.00 N ATOM 0 H ARG A 875 -16.265 -4.777 -10.847 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.989 -5.861 -11.034 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.594 -4.905 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.335 -4.804 -8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.666 -7.351 -8.776 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.676 -6.826 -7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.571 -7.796 -10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.870 -8.546 -8.623 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.126 -6.162 -8.256 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.367 -8.515 -10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.979 -7.950 -11.330 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.186 -5.495 -9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.932 -6.367 -10.346 1.00 0.00 H new ATOM 407 N ARG A 876 -19.814 -3.544 -11.500 1.00 0.00 N ATOM 408 CA ARG A 876 -20.353 -2.221 -11.851 1.00 0.00 C ATOM 409 C ARG A 876 -20.837 -1.509 -10.583 1.00 0.00 C ATOM 410 O ARG A 876 -21.634 -2.064 -9.826 1.00 0.00 O ATOM 411 CB ARG A 876 -21.491 -2.387 -12.879 1.00 0.00 C ATOM 412 CG ARG A 876 -22.024 -1.066 -13.465 1.00 0.00 C ATOM 413 CD ARG A 876 -21.045 -0.437 -14.465 1.00 0.00 C ATOM 414 NE ARG A 876 -21.573 0.816 -15.038 1.00 0.00 N ATOM 415 CZ ARG A 876 -21.772 1.097 -16.314 1.00 0.00 C ATOM 416 NH1 ARG A 876 -21.610 0.229 -17.274 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.158 2.286 -16.657 1.00 0.00 N ATOM 0 H ARG A 876 -20.453 -4.306 -11.727 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.575 -1.607 -12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.136 -3.015 -13.696 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.316 -2.918 -12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -22.978 -1.249 -13.960 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.215 -0.362 -12.655 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -20.096 -0.237 -13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.841 -1.146 -15.268 1.00 0.00 H new ATOM 0 HE ARG A 876 -21.812 1.551 -14.372 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -21.315 -0.723 -17.056 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -21.778 0.502 -18.242 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -22.307 3.000 -15.943 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.313 2.508 -17.640 1.00 0.00 H new ATOM 431 N ILE A 877 -20.365 -0.285 -10.373 1.00 0.00 N ATOM 432 CA ILE A 877 -20.651 0.563 -9.205 1.00 0.00 C ATOM 433 C ILE A 877 -21.070 1.983 -9.623 1.00 0.00 C ATOM 434 O ILE A 877 -20.652 2.468 -10.680 1.00 0.00 O ATOM 435 CB ILE A 877 -19.428 0.595 -8.253 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.204 1.291 -8.898 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.104 -0.832 -7.775 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.003 1.467 -7.968 1.00 0.00 C ATOM 0 H ILE A 877 -19.742 0.171 -11.040 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.494 0.127 -8.670 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.684 1.198 -7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.891 0.713 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.511 2.272 -9.262 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.244 -0.805 -7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -19.963 -1.242 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -18.875 -1.461 -8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.195 1.963 -8.507 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.293 2.074 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.663 0.490 -7.624 1.00 0.00 H new ATOM 450 N PRO A 878 -21.847 2.710 -8.804 1.00 0.00 N ATOM 451 CA PRO A 878 -22.019 4.144 -9.001 1.00 0.00 C ATOM 452 C PRO A 878 -20.706 4.888 -8.717 1.00 0.00 C ATOM 453 O PRO A 878 -19.904 4.489 -7.868 1.00 0.00 O ATOM 454 CB PRO A 878 -23.145 4.550 -8.044 1.00 0.00 C ATOM 455 CG PRO A 878 -22.988 3.558 -6.891 1.00 0.00 C ATOM 456 CD PRO A 878 -22.524 2.277 -7.587 1.00 0.00 C ATOM 0 HA PRO A 878 -22.278 4.399 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.037 5.581 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.124 4.470 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.258 3.905 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.927 3.409 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.851 1.706 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.370 1.630 -7.819 1.00 0.00 H new ATOM 464 N ALA A 879 -20.506 6.023 -9.386 1.00 0.00 N ATOM 465 CA ALA A 879 -19.362 6.916 -9.167 1.00 0.00 C ATOM 466 C ALA A 879 -19.206 7.396 -7.705 1.00 0.00 C ATOM 467 O ALA A 879 -18.100 7.706 -7.263 1.00 0.00 O ATOM 468 CB ALA A 879 -19.529 8.108 -10.111 1.00 0.00 C ATOM 0 H ALA A 879 -21.144 6.356 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.449 6.358 -9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.695 8.797 -9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.547 7.756 -11.142 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.464 8.622 -9.887 1.00 0.00 H new ATOM 474 N SER A 880 -20.287 7.378 -6.920 1.00 0.00 N ATOM 475 CA SER A 880 -20.278 7.651 -5.474 1.00 0.00 C ATOM 476 C SER A 880 -19.402 6.661 -4.693 1.00 0.00 C ATOM 477 O SER A 880 -18.825 7.023 -3.667 1.00 0.00 O ATOM 478 CB SER A 880 -21.708 7.588 -4.922 1.00 0.00 C ATOM 479 OG SER A 880 -22.572 8.433 -5.669 1.00 0.00 O ATOM 0 H SER A 880 -21.218 7.168 -7.279 1.00 0.00 H new ATOM 0 HA SER A 880 -19.857 8.648 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.073 6.562 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.712 7.889 -3.875 1.00 0.00 H new ATOM 0 HG SER A 880 -23.480 8.378 -5.303 1.00 0.00 H new ATOM 485 N VAL A 881 -19.254 5.424 -5.191 1.00 0.00 N ATOM 486 CA VAL A 881 -18.330 4.420 -4.638 1.00 0.00 C ATOM 487 C VAL A 881 -16.946 4.580 -5.240 1.00 0.00 C ATOM 488 O VAL A 881 -15.964 4.504 -4.507 1.00 0.00 O ATOM 489 CB VAL A 881 -18.862 2.984 -4.823 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.913 1.884 -4.329 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.180 2.798 -4.057 1.00 0.00 C ATOM 0 H VAL A 881 -19.779 5.088 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.257 4.593 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.982 2.877 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.368 0.908 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.971 1.945 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.725 2.017 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.542 1.780 -4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -20.013 2.980 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.922 3.502 -4.433 1.00 0.00 H new ATOM 501 N VAL A 882 -16.832 4.892 -6.535 1.00 0.00 N ATOM 502 CA VAL A 882 -15.502 5.041 -7.164 1.00 0.00 C ATOM 503 C VAL A 882 -14.728 6.267 -6.645 1.00 0.00 C ATOM 504 O VAL A 882 -13.503 6.316 -6.744 1.00 0.00 O ATOM 505 CB VAL A 882 -15.577 4.979 -8.707 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.623 6.344 -9.409 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.375 4.220 -9.281 1.00 0.00 C ATOM 0 H VAL A 882 -17.622 5.045 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.915 4.177 -6.853 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.520 4.469 -8.903 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.675 6.197 -10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.502 6.895 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.725 6.910 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.449 4.189 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.454 4.727 -8.995 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.366 3.203 -8.889 1.00 0.00 H new ATOM 517 N GLY A 883 -15.440 7.230 -6.048 1.00 0.00 N ATOM 518 CA GLY A 883 -14.873 8.362 -5.303 1.00 0.00 C ATOM 519 C GLY A 883 -14.621 8.080 -3.810 1.00 0.00 C ATOM 520 O GLY A 883 -13.777 8.733 -3.195 1.00 0.00 O ATOM 0 H GLY A 883 -16.460 7.244 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.932 8.653 -5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.548 9.213 -5.390 1.00 0.00 H new ATOM 524 N SER A 884 -15.328 7.104 -3.223 1.00 0.00 N ATOM 525 CA SER A 884 -15.141 6.649 -1.832 1.00 0.00 C ATOM 526 C SER A 884 -13.955 5.677 -1.693 1.00 0.00 C ATOM 527 O SER A 884 -13.190 5.749 -0.727 1.00 0.00 O ATOM 528 CB SER A 884 -16.436 5.987 -1.343 1.00 0.00 C ATOM 529 OG SER A 884 -16.336 5.574 0.011 1.00 0.00 O ATOM 0 H SER A 884 -16.064 6.595 -3.712 1.00 0.00 H new ATOM 0 HA SER A 884 -14.910 7.519 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 884 -17.265 6.687 -1.450 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.663 5.125 -1.970 1.00 0.00 H new ATOM 0 HG SER A 884 -17.179 5.158 0.289 1.00 0.00 H new ATOM 535 N ILE A 885 -13.768 4.800 -2.685 1.00 0.00 N ATOM 536 CA ILE A 885 -12.590 3.940 -2.859 1.00 0.00 C ATOM 537 C ILE A 885 -11.410 4.846 -3.250 1.00 0.00 C ATOM 538 O ILE A 885 -11.474 5.575 -4.240 1.00 0.00 O ATOM 539 CB ILE A 885 -12.931 2.827 -3.894 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.651 1.600 -3.278 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.727 2.258 -4.653 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.839 1.959 -2.379 1.00 0.00 C ATOM 0 H ILE A 885 -14.462 4.663 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.301 3.416 -1.948 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.584 3.369 -4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.001 0.955 -4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.931 1.023 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.065 1.491 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.234 3.058 -5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.024 1.820 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.288 1.046 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.494 2.578 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.581 2.509 -2.958 1.00 0.00 H new ATOM 603 N ARG A 890 -8.553 -1.358 -0.462 1.00 0.00 N ATOM 604 CA ARG A 890 -8.754 -2.798 -0.706 1.00 0.00 C ATOM 605 C ARG A 890 -10.241 -3.148 -0.860 1.00 0.00 C ATOM 606 O ARG A 890 -10.867 -3.675 0.061 1.00 0.00 O ATOM 607 CB ARG A 890 -8.058 -3.629 0.389 1.00 0.00 C ATOM 608 CG ARG A 890 -6.529 -3.471 0.356 1.00 0.00 C ATOM 609 CD ARG A 890 -5.868 -4.360 1.415 1.00 0.00 C ATOM 610 NE ARG A 890 -4.400 -4.212 1.403 1.00 0.00 N ATOM 611 CZ ARG A 890 -3.539 -4.836 2.189 1.00 0.00 C ATOM 612 NH1 ARG A 890 -3.919 -5.689 3.098 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -2.261 -4.611 2.075 1.00 0.00 N ATOM 0 HA ARG A 890 -8.288 -3.055 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.432 -3.324 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.315 -4.681 0.263 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.153 -3.734 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.263 -2.429 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.253 -4.101 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.132 -5.402 1.233 1.00 0.00 H new ATOM 0 HE ARG A 890 -4.010 -3.563 0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -4.910 -5.895 3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -3.225 -6.151 3.686 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -1.920 -3.951 1.377 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -1.602 -5.095 2.684 1.00 0.00 H new ATOM 627 N TRP A 891 -10.819 -2.831 -2.019 1.00 0.00 N ATOM 628 CA TRP A 891 -12.186 -3.232 -2.378 1.00 0.00 C ATOM 629 C TRP A 891 -12.197 -4.706 -2.803 1.00 0.00 C ATOM 630 O TRP A 891 -11.359 -5.112 -3.610 1.00 0.00 O ATOM 631 CB TRP A 891 -12.742 -2.315 -3.473 1.00 0.00 C ATOM 632 CG TRP A 891 -14.196 -2.511 -3.783 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.159 -1.661 -3.378 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.898 -3.580 -4.502 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.392 -2.080 -3.817 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.299 -3.291 -4.462 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.512 -4.768 -5.166 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.264 -4.152 -4.990 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.478 -5.650 -5.692 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.844 -5.354 -5.574 1.00 0.00 C ATOM 0 H TRP A 891 -10.351 -2.285 -2.742 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.837 -3.128 -1.510 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.586 -1.279 -3.173 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.167 -2.472 -4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.986 -0.772 -2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.260 -1.562 -3.682 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.463 -5.003 -5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.312 -3.896 -4.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.165 -6.557 -6.188 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.578 -6.059 -5.936 1.00 0.00 H new ATOM 651 N ILE A 892 -13.131 -5.509 -2.282 1.00 0.00 N ATOM 652 CA ILE A 892 -13.241 -6.948 -2.588 1.00 0.00 C ATOM 653 C ILE A 892 -14.694 -7.412 -2.757 1.00 0.00 C ATOM 654 O ILE A 892 -15.622 -6.781 -2.243 1.00 0.00 O ATOM 655 CB ILE A 892 -12.525 -7.798 -1.511 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.231 -7.706 -0.140 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.032 -7.442 -1.393 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.883 -8.880 0.777 1.00 0.00 C ATOM 0 H ILE A 892 -13.841 -5.179 -1.629 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.746 -7.098 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.587 -8.835 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.951 -6.772 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.310 -7.675 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.569 -8.063 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.539 -7.619 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.929 -6.392 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.405 -8.767 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.188 -9.814 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.808 -8.897 0.954 1.00 0.00 H new ATOM 670 N CYS A 893 -14.885 -8.575 -3.384 1.00 0.00 N ATOM 671 CA CYS A 893 -16.182 -9.217 -3.555 1.00 0.00 C ATOM 672 C CYS A 893 -17.004 -9.333 -2.247 1.00 0.00 C ATOM 673 O CYS A 893 -18.206 -9.089 -2.277 1.00 0.00 O ATOM 674 CB CYS A 893 -15.981 -10.589 -4.210 1.00 0.00 C ATOM 675 SG CYS A 893 -15.122 -10.486 -5.811 1.00 0.00 S ATOM 0 H CYS A 893 -14.119 -9.107 -3.796 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.777 -8.575 -4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.410 -11.228 -3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.952 -11.064 -4.353 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.884 -10.138 -5.618 1.00 0.00 H new ATOM 680 N MET A 894 -16.396 -9.686 -1.103 1.00 0.00 N ATOM 681 CA MET A 894 -17.143 -9.868 0.158 1.00 0.00 C ATOM 682 C MET A 894 -17.872 -8.579 0.596 1.00 0.00 C ATOM 683 O MET A 894 -18.966 -8.627 1.160 1.00 0.00 O ATOM 684 CB MET A 894 -16.157 -10.360 1.229 1.00 0.00 C ATOM 685 CG MET A 894 -16.766 -10.755 2.582 1.00 0.00 C ATOM 686 SD MET A 894 -17.181 -9.417 3.746 1.00 0.00 S ATOM 687 CE MET A 894 -15.538 -8.745 4.125 1.00 0.00 C ATOM 0 H MET A 894 -15.393 -9.851 -1.022 1.00 0.00 H new ATOM 0 HA MET A 894 -17.928 -10.609 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.620 -11.221 0.831 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.419 -9.576 1.401 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.675 -11.324 2.387 1.00 0.00 H new ATOM 0 HG3 MET A 894 -16.069 -11.429 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 894 -15.606 -8.083 4.988 1.00 0.00 H new ATOM 0 HE2 MET A 894 -14.853 -9.563 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 894 -15.167 -8.185 3.267 1.00 0.00 H new ATOM 697 N ASN A 895 -17.289 -7.420 0.268 1.00 0.00 N ATOM 698 CA ASN A 895 -17.807 -6.081 0.568 1.00 0.00 C ATOM 699 C ASN A 895 -18.845 -5.578 -0.465 1.00 0.00 C ATOM 700 O ASN A 895 -19.495 -4.556 -0.236 1.00 0.00 O ATOM 701 CB ASN A 895 -16.584 -5.142 0.740 1.00 0.00 C ATOM 702 CG ASN A 895 -16.536 -3.943 -0.196 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.697 -2.798 0.201 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.302 -4.171 -1.465 1.00 0.00 N ATOM 0 H ASN A 895 -16.403 -7.389 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.381 -6.102 1.495 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.570 -4.778 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.676 -5.728 0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.254 -3.393 -2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.168 -5.127 -1.795 1.00 0.00 H new ATOM 711 N ASN A 896 -18.981 -6.273 -1.602 1.00 0.00 N ATOM 712 CA ASN A 896 -19.801 -5.867 -2.748 1.00 0.00 C ATOM 713 C ASN A 896 -21.257 -5.547 -2.363 1.00 0.00 C ATOM 714 O ASN A 896 -21.905 -6.288 -1.620 1.00 0.00 O ATOM 715 CB ASN A 896 -19.764 -6.973 -3.818 1.00 0.00 C ATOM 716 CG ASN A 896 -20.530 -6.635 -5.087 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.411 -5.559 -5.648 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.366 -7.522 -5.576 1.00 0.00 N ATOM 0 H ASN A 896 -18.507 -7.163 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.376 -4.944 -3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.725 -7.178 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.173 -7.889 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.905 -7.307 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.476 -8.426 -5.117 1.00 0.00 H new ATOM 725 N SER A 897 -21.777 -4.469 -2.948 1.00 0.00 N ATOM 726 CA SER A 897 -23.162 -4.001 -2.788 1.00 0.00 C ATOM 727 C SER A 897 -24.223 -5.069 -3.078 1.00 0.00 C ATOM 728 O SER A 897 -25.209 -5.199 -2.352 1.00 0.00 O ATOM 729 CB SER A 897 -23.397 -2.849 -3.768 1.00 0.00 C ATOM 730 OG SER A 897 -22.647 -1.708 -3.381 1.00 0.00 O ATOM 0 H SER A 897 -21.230 -3.873 -3.569 1.00 0.00 H new ATOM 0 HA SER A 897 -23.269 -3.709 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.111 -3.155 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.458 -2.601 -3.800 1.00 0.00 H new ATOM 0 HG SER A 897 -22.806 -0.980 -4.018 1.00 0.00 H new ATOM 736 N ASP A 898 -24.023 -5.823 -4.157 1.00 0.00 N ATOM 737 CA ASP A 898 -24.970 -6.815 -4.677 1.00 0.00 C ATOM 738 C ASP A 898 -24.650 -8.225 -4.168 1.00 0.00 C ATOM 739 O ASP A 898 -23.746 -8.904 -4.663 1.00 0.00 O ATOM 740 CB ASP A 898 -25.013 -6.766 -6.212 1.00 0.00 C ATOM 741 CG ASP A 898 -25.033 -5.336 -6.775 1.00 0.00 C ATOM 742 OD1 ASP A 898 -26.068 -4.640 -6.636 1.00 0.00 O ATOM 743 OD2 ASP A 898 -24.008 -4.917 -7.364 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.171 -5.760 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.961 -6.561 -4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.146 -7.293 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.898 -7.299 -6.561 1.00 0.00 H new ATOM 748 N LYS A 899 -25.440 -8.697 -3.202 1.00 0.00 N ATOM 749 CA LYS A 899 -25.276 -9.992 -2.512 1.00 0.00 C ATOM 750 C LYS A 899 -25.337 -11.204 -3.455 1.00 0.00 C ATOM 751 O LYS A 899 -24.793 -12.261 -3.137 1.00 0.00 O ATOM 752 CB LYS A 899 -26.331 -10.110 -1.394 1.00 0.00 C ATOM 753 CG LYS A 899 -26.213 -9.022 -0.310 1.00 0.00 C ATOM 754 CD LYS A 899 -25.178 -9.402 0.753 1.00 0.00 C ATOM 755 CE LYS A 899 -25.750 -10.450 1.719 1.00 0.00 C ATOM 756 NZ LYS A 899 -24.761 -10.837 2.759 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.245 -8.172 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.273 -10.006 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.325 -10.060 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.241 -11.089 -0.924 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -25.932 -8.075 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.183 -8.870 0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.282 -9.795 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -24.878 -8.514 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.645 -10.053 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.054 -11.334 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.183 -11.546 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -23.917 -11.239 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -24.490 -9.998 3.310 1.00 0.00 H new ATOM 770 N ARG A 900 -25.936 -11.033 -4.641 1.00 0.00 N ATOM 771 CA ARG A 900 -25.948 -12.006 -5.754 1.00 0.00 C ATOM 772 C ARG A 900 -24.573 -12.236 -6.398 1.00 0.00 C ATOM 773 O ARG A 900 -24.351 -13.293 -6.980 1.00 0.00 O ATOM 774 CB ARG A 900 -26.940 -11.514 -6.821 1.00 0.00 C ATOM 775 CG ARG A 900 -28.431 -11.558 -6.433 1.00 0.00 C ATOM 776 CD ARG A 900 -28.990 -12.969 -6.189 1.00 0.00 C ATOM 777 NE ARG A 900 -28.704 -13.468 -4.828 1.00 0.00 N ATOM 778 CZ ARG A 900 -28.878 -14.702 -4.388 1.00 0.00 C ATOM 779 NH1 ARG A 900 -29.343 -15.652 -5.149 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -28.585 -15.012 -3.157 1.00 0.00 N ATOM 0 H ARG A 900 -26.448 -10.180 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.248 -12.967 -5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.683 -10.487 -7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.802 -12.114 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.575 -10.964 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -29.012 -11.083 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -30.068 -12.961 -6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.564 -13.656 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.335 -12.791 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.586 -15.455 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -29.464 -16.593 -4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.218 -14.300 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -28.722 -15.967 -2.825 1.00 0.00 H new ATOM 794 N PHE A 901 -23.656 -11.273 -6.281 1.00 0.00 N ATOM 795 CA PHE A 901 -22.314 -11.293 -6.896 1.00 0.00 C ATOM 796 C PHE A 901 -21.154 -11.101 -5.898 1.00 0.00 C ATOM 797 O PHE A 901 -19.990 -11.015 -6.291 1.00 0.00 O ATOM 798 CB PHE A 901 -22.248 -10.269 -8.048 1.00 0.00 C ATOM 799 CG PHE A 901 -23.385 -10.292 -9.062 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.607 -9.655 -8.770 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.205 -10.874 -10.332 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.651 -9.643 -9.714 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.245 -10.861 -11.279 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.472 -10.254 -10.966 1.00 0.00 C ATOM 0 H PHE A 901 -23.827 -10.426 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.171 -12.298 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.204 -9.271 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.312 -10.424 -8.585 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.744 -9.172 -7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.260 -11.334 -10.581 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.589 -9.164 -9.476 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -24.100 -11.318 -12.247 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.276 -10.257 -11.687 1.00 0.00 H new ATOM 814 N ALA A 902 -21.471 -11.050 -4.607 1.00 0.00 N ATOM 815 CA ALA A 902 -20.607 -10.677 -3.485 1.00 0.00 C ATOM 816 C ALA A 902 -19.712 -11.817 -2.953 1.00 0.00 C ATOM 817 O ALA A 902 -19.520 -11.984 -1.747 1.00 0.00 O ATOM 818 CB ALA A 902 -21.482 -10.025 -2.399 1.00 0.00 C ATOM 0 H ALA A 902 -22.412 -11.286 -4.291 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.874 -9.955 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.858 -9.739 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.969 -9.139 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.240 -10.735 -2.068 1.00 0.00 H new ATOM 824 N ASP A 903 -19.146 -12.598 -3.869 1.00 0.00 N ATOM 825 CA ASP A 903 -18.031 -13.514 -3.598 1.00 0.00 C ATOM 826 C ASP A 903 -17.126 -13.688 -4.819 1.00 0.00 C ATOM 827 O ASP A 903 -17.573 -13.608 -5.969 1.00 0.00 O ATOM 828 CB ASP A 903 -18.532 -14.871 -3.056 1.00 0.00 C ATOM 829 CG ASP A 903 -18.358 -15.055 -1.533 1.00 0.00 C ATOM 830 OD1 ASP A 903 -17.307 -14.660 -0.974 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.246 -15.676 -0.899 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.453 -12.616 -4.842 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.422 -13.059 -2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.588 -14.980 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.000 -15.672 -3.569 1.00 0.00 H new ATOM 836 N CYS A 904 -15.858 -14.002 -4.547 1.00 0.00 N ATOM 837 CA CYS A 904 -14.839 -14.389 -5.514 1.00 0.00 C ATOM 838 C CYS A 904 -15.270 -15.620 -6.365 1.00 0.00 C ATOM 839 O CYS A 904 -14.709 -15.881 -7.432 1.00 0.00 O ATOM 840 CB CYS A 904 -13.548 -14.641 -4.702 1.00 0.00 C ATOM 841 SG CYS A 904 -13.035 -13.176 -3.730 1.00 0.00 S ATOM 0 H CYS A 904 -15.499 -13.991 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.678 -13.601 -6.250 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.705 -15.483 -4.028 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.744 -14.922 -5.382 1.00 0.00 H new ATOM 0 HG CYS A 904 -13.563 -12.106 -4.246 1.00 0.00 H new ATOM 846 N SER A 905 -16.260 -16.377 -5.873 1.00 0.00 N ATOM 847 CA SER A 905 -16.837 -17.563 -6.522 1.00 0.00 C ATOM 848 C SER A 905 -18.008 -17.211 -7.446 1.00 0.00 C ATOM 849 O SER A 905 -18.366 -18.009 -8.316 1.00 0.00 O ATOM 850 CB SER A 905 -17.338 -18.552 -5.462 1.00 0.00 C ATOM 851 OG SER A 905 -16.309 -18.902 -4.546 1.00 0.00 O ATOM 0 H SER A 905 -16.699 -16.172 -4.975 1.00 0.00 H new ATOM 0 HA SER A 905 -16.044 -18.008 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.175 -18.112 -4.920 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.713 -19.451 -5.951 1.00 0.00 H new ATOM 0 HG SER A 905 -16.661 -19.532 -3.883 1.00 0.00 H new ATOM 857 N LYS A 906 -18.628 -16.037 -7.252 1.00 0.00 N ATOM 858 CA LYS A 906 -19.762 -15.569 -8.061 1.00 0.00 C ATOM 859 C LYS A 906 -19.342 -14.950 -9.398 1.00 0.00 C ATOM 860 O LYS A 906 -18.167 -14.692 -9.666 1.00 0.00 O ATOM 861 CB LYS A 906 -20.592 -14.551 -7.273 1.00 0.00 C ATOM 862 CG LYS A 906 -21.295 -15.017 -6.000 1.00 0.00 C ATOM 863 CD LYS A 906 -22.073 -16.327 -6.156 1.00 0.00 C ATOM 864 CE LYS A 906 -23.183 -16.279 -7.214 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.942 -17.557 -7.269 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.353 -15.380 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.357 -16.454 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.935 -13.723 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.352 -14.151 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.552 -15.141 -5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.981 -14.237 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.374 -17.122 -6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.514 -16.591 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -23.865 -15.459 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.747 -16.072 -8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.684 -17.489 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.295 -18.335 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.379 -17.741 -6.343 1.00 0.00 H new ATOM 879 N SER A 907 -20.359 -14.648 -10.196 1.00 0.00 N ATOM 880 CA SER A 907 -20.298 -14.093 -11.545 1.00 0.00 C ATOM 881 C SER A 907 -20.120 -12.563 -11.568 1.00 0.00 C ATOM 882 O SER A 907 -19.802 -11.940 -10.548 1.00 0.00 O ATOM 883 CB SER A 907 -21.590 -14.541 -12.240 1.00 0.00 C ATOM 884 OG SER A 907 -22.718 -13.953 -11.617 1.00 0.00 O ATOM 0 H SER A 907 -21.322 -14.796 -9.895 1.00 0.00 H new ATOM 0 HA SER A 907 -19.416 -14.461 -12.068 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.560 -14.259 -13.292 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.672 -15.627 -12.203 1.00 0.00 H new ATOM 0 HG SER A 907 -22.694 -12.982 -11.746 1.00 0.00 H new ATOM 890 N GLN A 908 -20.329 -11.951 -12.738 1.00 0.00 N ATOM 891 CA GLN A 908 -20.298 -10.505 -12.993 1.00 0.00 C ATOM 892 C GLN A 908 -21.273 -10.124 -14.128 1.00 0.00 C ATOM 893 O GLN A 908 -21.740 -10.993 -14.865 1.00 0.00 O ATOM 894 CB GLN A 908 -18.852 -10.079 -13.299 1.00 0.00 C ATOM 895 CG GLN A 908 -18.348 -10.568 -14.662 1.00 0.00 C ATOM 896 CD GLN A 908 -16.828 -10.715 -14.713 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.236 -11.558 -14.055 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.141 -9.932 -15.512 1.00 0.00 N ATOM 0 H GLN A 908 -20.537 -12.482 -13.583 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.633 -9.967 -12.106 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.787 -8.992 -13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.195 -10.463 -12.518 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.809 -11.529 -14.892 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.667 -9.868 -15.435 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.620 -9.224 -16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.128 -10.032 -15.577 1.00 0.00 H new ATOM 907 N GLU A 909 -21.575 -8.829 -14.294 1.00 0.00 N ATOM 908 CA GLU A 909 -22.517 -8.354 -15.331 1.00 0.00 C ATOM 909 C GLU A 909 -22.031 -8.612 -16.775 1.00 0.00 C ATOM 910 O GLU A 909 -22.850 -8.869 -17.659 1.00 0.00 O ATOM 911 CB GLU A 909 -22.780 -6.842 -15.187 1.00 0.00 C ATOM 912 CG GLU A 909 -23.235 -6.335 -13.811 1.00 0.00 C ATOM 913 CD GLU A 909 -24.512 -7.002 -13.262 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.436 -7.345 -14.039 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.591 -7.156 -12.019 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.180 -8.083 -13.722 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.428 -8.929 -15.168 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.866 -6.313 -15.456 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.538 -6.560 -15.918 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.426 -6.491 -13.097 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.403 -5.260 -13.874 1.00 0.00 H new ATOM 922 N MET A 910 -20.712 -8.551 -17.016 1.00 0.00 N ATOM 923 CA MET A 910 -20.063 -8.728 -18.329 1.00 0.00 C ATOM 924 C MET A 910 -18.656 -9.310 -18.176 1.00 0.00 C ATOM 925 O MET A 910 -17.864 -8.791 -17.388 1.00 0.00 O ATOM 926 CB MET A 910 -19.902 -7.392 -19.080 1.00 0.00 C ATOM 927 CG MET A 910 -21.203 -6.749 -19.568 1.00 0.00 C ATOM 928 SD MET A 910 -22.020 -7.653 -20.914 1.00 0.00 S ATOM 929 CE MET A 910 -23.468 -6.585 -21.147 1.00 0.00 C ATOM 0 H MET A 910 -20.039 -8.370 -16.272 1.00 0.00 H new ATOM 0 HA MET A 910 -20.712 -9.402 -18.888 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.392 -6.686 -18.425 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.253 -7.555 -19.940 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.893 -6.669 -18.728 1.00 0.00 H new ATOM 0 HG3 MET A 910 -20.990 -5.734 -19.904 1.00 0.00 H new ATOM 0 HE1 MET A 910 -24.093 -6.988 -21.944 1.00 0.00 H new ATOM 0 HE2 MET A 910 -24.042 -6.544 -20.221 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.140 -5.581 -21.416 1.00 0.00 H new ATOM 939 N SER A 911 -18.322 -10.343 -18.950 1.00 0.00 N ATOM 940 CA SER A 911 -16.999 -10.998 -18.931 1.00 0.00 C ATOM 941 C SER A 911 -15.889 -10.026 -19.340 1.00 0.00 C ATOM 942 O SER A 911 -16.155 -9.007 -19.972 1.00 0.00 O ATOM 943 CB SER A 911 -16.955 -12.217 -19.860 1.00 0.00 C ATOM 944 OG SER A 911 -18.153 -12.978 -19.785 1.00 0.00 O ATOM 0 H SER A 911 -18.968 -10.760 -19.621 1.00 0.00 H new ATOM 0 HA SER A 911 -16.834 -11.326 -17.905 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.797 -11.887 -20.887 1.00 0.00 H new ATOM 0 HB3 SER A 911 -16.106 -12.847 -19.594 1.00 0.00 H new ATOM 0 HG SER A 911 -18.091 -13.746 -20.391 1.00 0.00 H new ATOM 950 N ASN A 912 -14.632 -10.317 -19.016 1.00 0.00 N ATOM 951 CA ASN A 912 -13.536 -9.339 -19.124 1.00 0.00 C ATOM 952 C ASN A 912 -13.184 -9.011 -20.590 1.00 0.00 C ATOM 953 O ASN A 912 -12.701 -7.916 -20.865 1.00 0.00 O ATOM 954 CB ASN A 912 -12.302 -9.777 -18.296 1.00 0.00 C ATOM 955 CG ASN A 912 -12.553 -10.247 -16.860 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.609 -10.714 -16.466 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.585 -10.116 -15.988 1.00 0.00 N ATOM 0 H ASN A 912 -14.338 -11.231 -18.672 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.893 -8.406 -18.689 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.804 -10.584 -18.833 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.605 -8.940 -18.260 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.729 -10.400 -15.019 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.687 -9.730 -16.278 1.00 0.00 H new ATOM 964 N GLU A 913 -13.508 -9.906 -21.531 1.00 0.00 N ATOM 965 CA GLU A 913 -13.470 -9.659 -22.985 1.00 0.00 C ATOM 966 C GLU A 913 -14.576 -8.691 -23.476 1.00 0.00 C ATOM 967 O GLU A 913 -14.468 -8.101 -24.551 1.00 0.00 O ATOM 968 CB GLU A 913 -13.565 -11.025 -23.692 1.00 0.00 C ATOM 969 CG GLU A 913 -13.392 -10.963 -25.219 1.00 0.00 C ATOM 970 CD GLU A 913 -13.261 -12.357 -25.879 1.00 0.00 C ATOM 971 OE1 GLU A 913 -13.947 -13.322 -25.458 1.00 0.00 O ATOM 972 OE2 GLU A 913 -12.506 -12.485 -26.876 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.813 -10.851 -21.299 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.534 -9.157 -23.230 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.805 -11.688 -23.279 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -14.534 -11.471 -23.466 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.245 -10.442 -25.653 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -12.506 -10.373 -25.453 1.00 0.00 H new ATOM 979 N GLU A 914 -15.642 -8.496 -22.693 1.00 0.00 N ATOM 980 CA GLU A 914 -16.710 -7.517 -22.942 1.00 0.00 C ATOM 981 C GLU A 914 -16.489 -6.218 -22.146 1.00 0.00 C ATOM 982 O GLU A 914 -16.563 -5.134 -22.724 1.00 0.00 O ATOM 983 CB GLU A 914 -18.081 -8.135 -22.622 1.00 0.00 C ATOM 984 CG GLU A 914 -18.446 -9.369 -23.467 1.00 0.00 C ATOM 985 CD GLU A 914 -18.464 -9.118 -24.993 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.094 -10.039 -25.762 1.00 0.00 O ATOM 987 OE2 GLU A 914 -18.892 -8.027 -25.446 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.792 -9.033 -21.839 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.684 -7.252 -23.999 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.101 -8.415 -21.569 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.849 -7.375 -22.764 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.734 -10.165 -23.251 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.428 -9.727 -23.159 1.00 0.00 H new ATOM 994 N ILE A 915 -16.135 -6.288 -20.852 1.00 0.00 N ATOM 995 CA ILE A 915 -15.808 -5.106 -20.025 1.00 0.00 C ATOM 996 C ILE A 915 -14.393 -4.524 -20.220 1.00 0.00 C ATOM 997 O ILE A 915 -13.885 -3.704 -19.461 1.00 0.00 O ATOM 998 CB ILE A 915 -16.225 -5.288 -18.558 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.146 -3.986 -17.734 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.444 -6.371 -17.805 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.631 -2.744 -18.497 1.00 0.00 C ATOM 0 H ILE A 915 -16.066 -7.170 -20.344 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.435 -4.308 -20.423 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.263 -5.607 -18.646 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.743 -4.102 -16.829 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.115 -3.828 -17.418 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.804 -6.431 -16.778 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.589 -7.333 -18.297 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.383 -6.120 -17.804 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.547 -1.867 -17.855 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.019 -2.602 -19.388 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.672 -2.880 -18.790 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.753 -4.924 -21.294 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.687 -4.132 -21.931 1.00 0.00 C ATOM 1015 C ASN A 916 -13.136 -3.474 -23.257 1.00 0.00 C ATOM 1016 O ASN A 916 -12.799 -2.318 -23.524 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.375 -4.944 -21.976 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.318 -6.118 -22.946 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.126 -6.294 -23.841 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.321 -6.957 -22.814 1.00 0.00 N ATOM 0 H ASN A 916 -13.946 -5.808 -21.764 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.464 -3.263 -21.313 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.563 -4.261 -22.224 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.178 -5.324 -20.973 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.229 -7.745 -23.456 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.637 -6.823 -22.070 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.990 -4.144 -24.029 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.601 -3.632 -25.266 1.00 0.00 C ATOM 1029 C GLU A 917 -15.604 -2.487 -25.040 1.00 0.00 C ATOM 1030 O GLU A 917 -15.705 -1.587 -25.874 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.302 -4.785 -25.995 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.376 -5.555 -26.951 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.904 -4.709 -28.156 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.751 -4.123 -28.874 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.677 -4.641 -28.414 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.290 -5.093 -23.807 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.790 -3.216 -25.864 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.708 -5.478 -25.258 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.146 -4.389 -26.559 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.505 -5.906 -26.398 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.898 -6.439 -27.318 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.325 -2.485 -23.913 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.332 -1.459 -23.581 1.00 0.00 C ATOM 1044 C GLU A 918 -16.726 -0.051 -23.481 1.00 0.00 C ATOM 1045 O GLU A 918 -17.396 0.942 -23.779 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.026 -1.820 -22.254 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.318 -1.009 -22.026 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.180 -1.484 -20.830 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.935 -0.650 -20.272 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.150 -2.682 -20.461 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.228 -3.202 -23.194 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.058 -1.444 -24.394 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.263 -2.884 -22.249 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.338 -1.642 -21.427 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.052 0.037 -21.871 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.923 -1.053 -22.932 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.454 0.040 -23.080 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.698 1.293 -23.018 1.00 0.00 C ATOM 1059 C LEU A 919 -13.758 1.470 -24.224 1.00 0.00 C ATOM 1060 O LEU A 919 -13.544 2.593 -24.682 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.903 1.373 -21.704 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.747 1.099 -20.443 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.489 -0.313 -19.940 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.402 2.098 -19.347 1.00 0.00 C ATOM 0 H LEU A 919 -14.911 -0.771 -22.784 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.421 2.108 -23.052 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.083 0.656 -21.743 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.456 2.364 -21.621 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.800 1.205 -20.703 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.089 -0.497 -19.049 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.760 -1.030 -20.715 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.433 -0.425 -19.695 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.006 1.892 -18.463 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.346 2.009 -19.093 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.607 3.109 -19.699 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.207 0.362 -24.735 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.203 0.334 -25.809 1.00 0.00 C ATOM 1078 C GLY A 920 -10.765 0.275 -25.279 1.00 0.00 C ATOM 1079 O GLY A 920 -9.884 0.971 -25.789 1.00 0.00 O ATOM 0 H GLY A 920 -13.455 -0.570 -24.403 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.385 -0.530 -26.448 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.319 1.221 -26.432 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.539 -0.517 -24.223 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.272 -0.638 -23.479 1.00 0.00 C ATOM 1085 C ILE A 921 -8.661 -2.048 -23.592 1.00 0.00 C ATOM 1086 O ILE A 921 -9.300 -2.992 -24.060 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.463 -0.196 -22.007 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.450 -1.116 -21.254 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.867 1.287 -21.941 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.501 -0.871 -19.744 1.00 0.00 C ATOM 0 H ILE A 921 -11.268 -1.121 -23.843 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.550 0.037 -23.938 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.508 -0.298 -21.491 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.449 -0.977 -21.668 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.172 -2.155 -21.434 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.998 1.583 -20.900 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.087 1.897 -22.396 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.803 1.433 -22.480 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.216 -1.556 -19.288 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.513 -1.039 -19.315 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.810 0.157 -19.552 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.667 3.382 -16.151 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.782 4.313 -15.920 1.00 0.00 C ATOM 1264 C GLN B 5 -15.653 4.437 -17.178 1.00 0.00 C ATOM 1265 O GLN B 5 -15.343 5.184 -18.107 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.252 5.671 -15.431 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.464 5.571 -14.115 1.00 0.00 C ATOM 1268 CD GLN B 5 -13.310 6.926 -13.429 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -13.108 7.962 -14.049 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -13.370 6.979 -12.119 1.00 0.00 N ATOM 0 HA GLN B 5 -15.423 3.917 -15.132 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -13.611 6.103 -16.200 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.090 6.354 -15.295 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.972 4.881 -13.441 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -12.477 5.153 -14.315 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.537 6.129 -11.581 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -13.249 7.871 -11.639 1.00 0.00 H new ATOM 1279 N THR B 6 -16.724 3.644 -17.223 1.00 0.00 N ATOM 1280 CA THR B 6 -17.592 3.446 -18.397 1.00 0.00 C ATOM 1281 C THR B 6 -18.299 4.715 -18.885 1.00 0.00 C ATOM 1282 O THR B 6 -18.905 5.459 -18.115 1.00 0.00 O ATOM 1283 CB THR B 6 -18.621 2.323 -18.157 1.00 0.00 C ATOM 1284 OG1 THR B 6 -18.806 2.047 -16.782 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.151 1.018 -18.794 1.00 0.00 C ATOM 0 H THR B 6 -17.027 3.099 -16.416 1.00 0.00 H new ATOM 0 HA THR B 6 -16.912 3.151 -19.196 1.00 0.00 H new ATOM 0 HB THR B 6 -19.553 2.678 -18.597 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.107 2.859 -16.323 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.891 0.238 -18.614 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.029 1.161 -19.868 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.198 0.722 -18.356 1.00 0.00 H new