USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 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 868 CYS SG : rot 180:sc= -0.117 USER MOD Set 1.2: A 871 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 873 LYS NZ :NH3+ 175:sc= 1.01 (180deg=0.989) USER MOD Set 1.4: A 893 CYS SG : rot -30:sc= -1.9! USER MOD Set 1.5: A 904 CYS SG : rot 180:sc= -0.131 USER MOD Single : A 863 SER OG : rot -25:sc= 0.0715 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 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= 2.38 K(o=2.4,f=-0.023) USER MOD Single : A 896 ASN : amide:sc= -0.0723 K(o=-0.072,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 21:sc= 0.321 USER MOD Single : A 908 GLN : amide:sc= 1.48 K(o=1.5,f=-4!) 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 912 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 916 ASN : amide:sc= -0.125 K(o=-0.12,f=-3.5!) USER MOD Single : B 5 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.14) USER MOD Single : B 6 THR OG1 : rot -102:sc= 0.456 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.498 5.960 -13.004 1.00 0.00 N ATOM 189 CA SER A 863 -21.283 4.626 -12.410 1.00 0.00 C ATOM 190 C SER A 863 -20.262 3.795 -13.204 1.00 0.00 C ATOM 191 O SER A 863 -20.265 3.770 -14.440 1.00 0.00 O ATOM 192 CB SER A 863 -22.613 3.875 -12.259 1.00 0.00 C ATOM 193 OG SER A 863 -23.314 3.778 -13.488 1.00 0.00 O ATOM 0 HA SER A 863 -20.862 4.779 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.422 2.874 -11.871 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.237 4.387 -11.526 1.00 0.00 H new ATOM 0 HG SER A 863 -23.046 4.515 -14.076 1.00 0.00 H new ATOM 199 N ALA A 864 -19.347 3.148 -12.478 1.00 0.00 N ATOM 200 CA ALA A 864 -18.094 2.628 -13.038 1.00 0.00 C ATOM 201 C ALA A 864 -17.723 1.264 -12.446 1.00 0.00 C ATOM 202 O ALA A 864 -18.498 0.676 -11.697 1.00 0.00 O ATOM 203 CB ALA A 864 -16.989 3.679 -12.851 1.00 0.00 C ATOM 0 H ALA A 864 -19.454 2.968 -11.480 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.223 2.450 -14.106 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -16.054 3.301 -13.264 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.269 4.597 -13.367 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.859 3.885 -11.789 1.00 0.00 H new ATOM 209 N TRP A 865 -16.561 0.726 -12.805 1.00 0.00 N ATOM 210 CA TRP A 865 -16.113 -0.582 -12.315 1.00 0.00 C ATOM 211 C TRP A 865 -15.143 -0.487 -11.124 1.00 0.00 C ATOM 212 O TRP A 865 -14.728 0.597 -10.709 1.00 0.00 O ATOM 213 CB TRP A 865 -15.564 -1.368 -13.506 1.00 0.00 C ATOM 214 CG TRP A 865 -16.602 -1.634 -14.559 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.064 -0.732 -15.453 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.399 -2.840 -14.772 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.126 -1.262 -16.154 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.381 -2.568 -15.774 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.375 -4.143 -14.230 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.306 -3.540 -16.192 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.284 -5.131 -14.656 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.252 -4.831 -15.631 1.00 0.00 C ATOM 0 H TRP A 865 -15.904 1.178 -13.440 1.00 0.00 H new ATOM 0 HA TRP A 865 -16.959 -1.126 -11.895 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.737 -0.814 -13.950 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.160 -2.317 -13.153 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.660 0.259 -15.597 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.657 -0.756 -16.863 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -16.645 -4.388 -13.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.051 -3.300 -16.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.237 -6.123 -14.232 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -19.953 -5.589 -15.949 1.00 0.00 H new ATOM 233 N VAL A 866 -14.795 -1.653 -10.574 1.00 0.00 N ATOM 234 CA VAL A 866 -13.716 -1.885 -9.596 1.00 0.00 C ATOM 235 C VAL A 866 -13.169 -3.312 -9.758 1.00 0.00 C ATOM 236 O VAL A 866 -13.909 -4.210 -10.166 1.00 0.00 O ATOM 237 CB VAL A 866 -14.207 -1.590 -8.164 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.348 -2.517 -7.745 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.107 -1.689 -7.102 1.00 0.00 C ATOM 0 H VAL A 866 -15.285 -2.516 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 866 -12.892 -1.197 -9.786 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.554 -0.558 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -15.661 -2.273 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.190 -2.388 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.008 -3.552 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.528 -1.469 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -12.692 -2.697 -7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.318 -0.972 -7.328 1.00 0.00 H new ATOM 249 N ARG A 867 -11.872 -3.519 -9.480 1.00 0.00 N ATOM 250 CA ARG A 867 -11.195 -4.831 -9.500 1.00 0.00 C ATOM 251 C ARG A 867 -10.941 -5.323 -8.068 1.00 0.00 C ATOM 252 O ARG A 867 -10.345 -4.583 -7.278 1.00 0.00 O ATOM 253 CB ARG A 867 -9.893 -4.670 -10.303 1.00 0.00 C ATOM 254 CG ARG A 867 -9.289 -5.940 -10.920 1.00 0.00 C ATOM 255 CD ARG A 867 -7.840 -5.677 -11.357 1.00 0.00 C ATOM 256 NE ARG A 867 -7.053 -6.851 -11.792 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.214 -7.587 -12.878 1.00 0.00 C ATOM 258 NH1 ARG A 867 -8.352 -7.688 -13.486 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.225 -8.288 -13.353 1.00 0.00 N ATOM 0 H ARG A 867 -11.244 -2.756 -9.227 1.00 0.00 H new ATOM 0 HA ARG A 867 -11.818 -5.588 -9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.078 -3.958 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.145 -4.224 -9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.317 -6.754 -10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -9.884 -6.256 -11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -7.857 -4.957 -12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.315 -5.204 -10.527 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.289 -7.128 -11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -9.167 -7.189 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -8.434 -8.267 -14.322 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.318 -8.272 -12.887 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.357 -8.854 -14.192 1.00 0.00 H new ATOM 273 N CYS A 868 -11.358 -6.546 -7.734 1.00 0.00 N ATOM 274 CA CYS A 868 -11.193 -7.131 -6.401 1.00 0.00 C ATOM 275 C CYS A 868 -9.699 -7.290 -6.002 1.00 0.00 C ATOM 276 O CYS A 868 -8.906 -7.882 -6.738 1.00 0.00 O ATOM 277 CB CYS A 868 -11.989 -8.451 -6.354 1.00 0.00 C ATOM 278 SG CYS A 868 -11.748 -9.287 -4.742 1.00 0.00 S ATOM 0 H CYS A 868 -11.827 -7.168 -8.392 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.595 -6.454 -5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.049 -8.250 -6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.666 -9.107 -7.163 1.00 0.00 H new ATOM 0 HG CYS A 868 -12.428 -10.395 -4.722 1.00 0.00 H new ATOM 283 N ASP A 869 -9.330 -6.781 -4.822 1.00 0.00 N ATOM 284 CA ASP A 869 -8.004 -6.955 -4.211 1.00 0.00 C ATOM 285 C ASP A 869 -7.720 -8.384 -3.699 1.00 0.00 C ATOM 286 O ASP A 869 -6.554 -8.750 -3.527 1.00 0.00 O ATOM 287 CB ASP A 869 -7.836 -5.932 -3.073 1.00 0.00 C ATOM 288 CG ASP A 869 -7.681 -4.506 -3.620 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.596 -3.667 -3.464 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.653 -4.219 -4.274 1.00 0.00 O1- ATOM 0 H ASP A 869 -9.961 -6.221 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.271 -6.784 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.700 -5.977 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.962 -6.191 -2.475 1.00 0.00 H new ATOM 295 N ASP A 870 -8.754 -9.204 -3.486 1.00 0.00 N ATOM 296 CA ASP A 870 -8.636 -10.627 -3.118 1.00 0.00 C ATOM 297 C ASP A 870 -8.655 -11.571 -4.342 1.00 0.00 C ATOM 298 O ASP A 870 -8.148 -12.694 -4.249 1.00 0.00 O ATOM 299 CB ASP A 870 -9.731 -11.006 -2.093 1.00 0.00 C ATOM 300 CG ASP A 870 -9.331 -10.824 -0.611 1.00 0.00 C ATOM 301 OD1 ASP A 870 -8.275 -10.223 -0.290 1.00 0.00 O ATOM 302 OD2 ASP A 870 -10.082 -11.317 0.265 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.722 -8.893 -3.566 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.658 -10.761 -2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.617 -10.403 -2.291 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.012 -12.047 -2.253 1.00 0.00 H new ATOM 307 N CYS A 871 -9.173 -11.107 -5.487 1.00 0.00 N ATOM 308 CA CYS A 871 -9.169 -11.799 -6.772 1.00 0.00 C ATOM 309 C CYS A 871 -8.395 -10.974 -7.845 1.00 0.00 C ATOM 310 O CYS A 871 -7.163 -10.939 -7.886 1.00 0.00 O ATOM 311 CB CYS A 871 -10.638 -12.115 -7.189 1.00 0.00 C ATOM 312 SG CYS A 871 -11.607 -13.104 -6.018 1.00 0.00 S ATOM 0 H CYS A 871 -9.627 -10.195 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.638 -12.747 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.158 -11.171 -7.353 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.618 -12.638 -8.145 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.804 -13.287 -6.491 1.00 0.00 H new ATOM 317 N PHE A 872 -9.195 -10.380 -8.731 1.00 0.00 N ATOM 318 CA PHE A 872 -8.956 -9.646 -9.983 1.00 0.00 C ATOM 319 C PHE A 872 -10.310 -9.453 -10.724 1.00 0.00 C ATOM 320 O PHE A 872 -10.412 -8.636 -11.636 1.00 0.00 O ATOM 321 CB PHE A 872 -7.999 -10.401 -10.911 1.00 0.00 C ATOM 322 CG PHE A 872 -8.463 -11.769 -11.386 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.256 -11.882 -12.546 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.108 -12.931 -10.673 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.705 -13.143 -12.977 1.00 0.00 C ATOM 326 CE2 PHE A 872 -8.558 -14.192 -11.104 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.359 -14.299 -12.255 1.00 0.00 C ATOM 0 H PHE A 872 -10.200 -10.408 -8.556 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.505 -8.687 -9.728 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -7.810 -9.780 -11.787 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.046 -10.522 -10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.520 -10.997 -13.106 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -7.488 -12.853 -9.792 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.316 -13.224 -13.864 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -8.288 -15.079 -10.550 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.708 -15.267 -12.584 1.00 0.00 H new ATOM 337 N LYS A 873 -11.347 -10.214 -10.324 1.00 0.00 N ATOM 338 CA LYS A 873 -12.780 -10.081 -10.661 1.00 0.00 C ATOM 339 C LYS A 873 -13.204 -8.615 -10.814 1.00 0.00 C ATOM 340 O LYS A 873 -12.865 -7.783 -9.968 1.00 0.00 O ATOM 341 CB LYS A 873 -13.599 -10.736 -9.521 1.00 0.00 C ATOM 342 CG LYS A 873 -14.727 -11.688 -9.932 1.00 0.00 C ATOM 343 CD LYS A 873 -16.045 -10.963 -10.200 1.00 0.00 C ATOM 344 CE LYS A 873 -16.753 -10.556 -8.902 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.522 -11.664 -8.280 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.191 -11.007 -9.702 1.00 0.00 H new ATOM 0 HA LYS A 873 -12.962 -10.571 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -12.909 -11.285 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.032 -9.940 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.428 -12.233 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.878 -12.427 -9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -15.854 -10.075 -10.802 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.701 -11.609 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.011 -10.193 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.428 -9.726 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -17.906 -11.350 -7.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.304 -11.939 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -16.895 -12.480 -8.130 1.00 0.00 H new ATOM 359 N TRP A 874 -13.982 -8.318 -11.851 1.00 0.00 N ATOM 360 CA TRP A 874 -14.533 -6.981 -12.099 1.00 0.00 C ATOM 361 C TRP A 874 -15.952 -6.844 -11.549 1.00 0.00 C ATOM 362 O TRP A 874 -16.730 -7.798 -11.570 1.00 0.00 O ATOM 363 CB TRP A 874 -14.504 -6.649 -13.595 1.00 0.00 C ATOM 364 CG TRP A 874 -13.142 -6.639 -14.215 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.506 -7.638 -14.875 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.169 -5.572 -14.092 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.212 -7.244 -15.179 1.00 0.00 N ATOM 368 CE2 TRP A 874 -10.947 -5.997 -14.679 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.181 -4.312 -13.468 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -9.778 -5.236 -14.624 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.004 -3.558 -13.384 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.797 -4.012 -13.939 1.00 0.00 C ATOM 0 H TRP A 874 -14.253 -9.005 -12.554 1.00 0.00 H new ATOM 0 HA TRP A 874 -13.902 -6.266 -11.571 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.122 -7.374 -14.125 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -14.961 -5.671 -13.744 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -12.941 -8.594 -15.126 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -10.545 -7.808 -15.706 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.100 -3.925 -13.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -8.874 -5.584 -15.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.025 -2.603 -12.880 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -8.895 -3.427 -13.840 1.00 0.00 H new ATOM 383 N ARG A 875 -16.318 -5.639 -11.112 1.00 0.00 N ATOM 384 CA ARG A 875 -17.669 -5.319 -10.635 1.00 0.00 C ATOM 385 C ARG A 875 -18.074 -3.893 -10.962 1.00 0.00 C ATOM 386 O ARG A 875 -17.361 -2.956 -10.636 1.00 0.00 O ATOM 387 CB ARG A 875 -17.767 -5.566 -9.115 1.00 0.00 C ATOM 388 CG ARG A 875 -18.151 -7.010 -8.743 1.00 0.00 C ATOM 389 CD ARG A 875 -19.431 -7.523 -9.424 1.00 0.00 C ATOM 390 NE ARG A 875 -20.503 -6.499 -9.442 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.503 -6.421 -10.298 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.815 -7.376 -11.117 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.237 -5.364 -10.383 1.00 0.00 N ATOM 0 H ARG A 875 -15.678 -4.845 -11.078 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.362 -5.978 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -16.809 -5.325 -8.655 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -18.504 -4.884 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.325 -7.671 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.279 -7.072 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.201 -7.824 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.788 -8.411 -8.902 1.00 0.00 H new ATOM 0 HE ARG A 875 -20.463 -5.781 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.276 -8.242 -11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.600 -7.262 -11.759 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -22.050 -4.563 -9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.005 -5.329 -11.054 1.00 0.00 H new ATOM 407 N ARG A 876 -19.252 -3.753 -11.566 1.00 0.00 N ATOM 408 CA ARG A 876 -19.993 -2.506 -11.788 1.00 0.00 C ATOM 409 C ARG A 876 -20.579 -2.021 -10.459 1.00 0.00 C ATOM 410 O ARG A 876 -21.361 -2.728 -9.823 1.00 0.00 O ATOM 411 CB ARG A 876 -20.996 -2.812 -12.914 1.00 0.00 C ATOM 412 CG ARG A 876 -21.618 -1.580 -13.585 1.00 0.00 C ATOM 413 CD ARG A 876 -22.492 -0.758 -12.631 1.00 0.00 C ATOM 414 NE ARG A 876 -23.458 -1.570 -11.838 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.231 -2.561 -12.261 1.00 0.00 C ATOM 416 NH1 ARG A 876 -24.487 -2.778 -13.518 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -24.729 -3.420 -11.427 1.00 0.00 N ATOM 0 H ARG A 876 -19.751 -4.560 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.384 -1.664 -12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -20.492 -3.406 -13.676 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -21.798 -3.429 -12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.823 -0.946 -13.978 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.220 -1.901 -14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.846 -0.210 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -23.045 -0.018 -13.209 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.534 -1.335 -10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -24.086 -2.171 -14.232 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -25.089 -3.556 -13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -24.528 -3.339 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -25.322 -4.177 -11.768 1.00 0.00 H new ATOM 431 N ILE A 877 -20.188 -0.815 -10.059 1.00 0.00 N ATOM 432 CA ILE A 877 -20.570 -0.117 -8.819 1.00 0.00 C ATOM 433 C ILE A 877 -21.038 1.329 -9.109 1.00 0.00 C ATOM 434 O ILE A 877 -20.659 1.909 -10.131 1.00 0.00 O ATOM 435 CB ILE A 877 -19.384 -0.138 -7.819 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.230 0.772 -8.295 1.00 0.00 C ATOM 437 CG2 ILE A 877 -18.911 -1.580 -7.569 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.041 0.874 -7.337 1.00 0.00 C ATOM 0 H ILE A 877 -19.552 -0.254 -10.626 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.414 -0.640 -8.369 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.733 0.265 -6.868 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.871 0.403 -9.256 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.625 1.773 -8.465 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.079 -1.573 -6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -19.732 -2.165 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -18.587 -2.025 -8.510 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.286 1.535 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.377 1.275 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.611 -0.116 -7.184 1.00 0.00 H new ATOM 450 N PRO A 878 -21.826 1.966 -8.226 1.00 0.00 N ATOM 451 CA PRO A 878 -22.148 3.385 -8.365 1.00 0.00 C ATOM 452 C PRO A 878 -20.949 4.290 -8.044 1.00 0.00 C ATOM 453 O PRO A 878 -20.145 4.004 -7.156 1.00 0.00 O ATOM 454 CB PRO A 878 -23.318 3.625 -7.406 1.00 0.00 C ATOM 455 CG PRO A 878 -23.072 2.599 -6.298 1.00 0.00 C ATOM 456 CD PRO A 878 -22.482 1.406 -7.051 1.00 0.00 C ATOM 0 HA PRO A 878 -22.410 3.634 -9.393 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.320 4.644 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.279 3.468 -7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.384 2.979 -5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.995 2.333 -5.783 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.772 0.862 -6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.261 0.699 -7.337 1.00 0.00 H new ATOM 464 N ALA A 879 -20.860 5.429 -8.737 1.00 0.00 N ATOM 465 CA ALA A 879 -19.807 6.442 -8.577 1.00 0.00 C ATOM 466 C ALA A 879 -19.652 7.004 -7.144 1.00 0.00 C ATOM 467 O ALA A 879 -18.571 7.464 -6.772 1.00 0.00 O ATOM 468 CB ALA A 879 -20.110 7.576 -9.556 1.00 0.00 C ATOM 0 H ALA A 879 -21.543 5.682 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.854 5.955 -8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.347 8.349 -9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -20.113 7.187 -10.574 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -21.087 8.002 -9.328 1.00 0.00 H new ATOM 474 N SER A 880 -20.686 6.905 -6.306 1.00 0.00 N ATOM 475 CA SER A 880 -20.607 7.203 -4.865 1.00 0.00 C ATOM 476 C SER A 880 -19.568 6.336 -4.133 1.00 0.00 C ATOM 477 O SER A 880 -19.013 6.767 -3.118 1.00 0.00 O ATOM 478 CB SER A 880 -21.990 7.012 -4.233 1.00 0.00 C ATOM 479 OG SER A 880 -22.461 5.690 -4.447 1.00 0.00 O ATOM 0 H SER A 880 -21.615 6.612 -6.608 1.00 0.00 H new ATOM 0 HA SER A 880 -20.281 8.238 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.938 7.216 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 880 -22.693 7.727 -4.660 1.00 0.00 H new ATOM 0 HG SER A 880 -23.344 5.587 -4.035 1.00 0.00 H new ATOM 485 N VAL A 881 -19.251 5.149 -4.667 1.00 0.00 N ATOM 486 CA VAL A 881 -18.178 4.260 -4.196 1.00 0.00 C ATOM 487 C VAL A 881 -16.898 4.439 -5.007 1.00 0.00 C ATOM 488 O VAL A 881 -15.809 4.428 -4.436 1.00 0.00 O ATOM 489 CB VAL A 881 -18.656 2.790 -4.189 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.616 1.806 -3.647 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.917 2.617 -3.329 1.00 0.00 C ATOM 0 H VAL A 881 -19.753 4.766 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.936 4.538 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.849 2.564 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.023 0.795 -3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.717 1.851 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.366 2.070 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.228 1.572 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.702 2.916 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.718 3.240 -3.728 1.00 0.00 H new ATOM 501 N VAL A 882 -16.992 4.703 -6.314 1.00 0.00 N ATOM 502 CA VAL A 882 -15.804 4.854 -7.181 1.00 0.00 C ATOM 503 C VAL A 882 -14.909 6.023 -6.751 1.00 0.00 C ATOM 504 O VAL A 882 -13.693 5.987 -6.933 1.00 0.00 O ATOM 505 CB VAL A 882 -16.157 4.992 -8.686 1.00 0.00 C ATOM 506 CG1 VAL A 882 -17.274 4.054 -9.166 1.00 0.00 C ATOM 507 CG2 VAL A 882 -16.326 6.426 -9.220 1.00 0.00 C ATOM 0 H VAL A 882 -17.880 4.818 -6.803 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.249 3.925 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 882 -15.237 4.642 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -17.455 4.218 -10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.974 3.019 -9.004 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -18.187 4.259 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -16.571 6.392 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -17.130 6.924 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -15.397 6.979 -9.079 1.00 0.00 H new ATOM 517 N GLY A 883 -15.524 7.042 -6.149 1.00 0.00 N ATOM 518 CA GLY A 883 -14.855 8.216 -5.579 1.00 0.00 C ATOM 519 C GLY A 883 -14.240 7.988 -4.189 1.00 0.00 C ATOM 520 O GLY A 883 -13.417 8.788 -3.743 1.00 0.00 O ATOM 0 H GLY A 883 -16.538 7.075 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -14.069 8.537 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.574 9.032 -5.514 1.00 0.00 H new ATOM 524 N SER A 884 -14.623 6.902 -3.507 1.00 0.00 N ATOM 525 CA SER A 884 -14.097 6.490 -2.196 1.00 0.00 C ATOM 526 C SER A 884 -12.946 5.476 -2.310 1.00 0.00 C ATOM 527 O SER A 884 -12.014 5.503 -1.505 1.00 0.00 O ATOM 528 CB SER A 884 -15.247 5.912 -1.360 1.00 0.00 C ATOM 529 OG SER A 884 -14.861 5.687 -0.012 1.00 0.00 O ATOM 0 H SER A 884 -15.333 6.262 -3.864 1.00 0.00 H new ATOM 0 HA SER A 884 -13.680 7.370 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.094 6.597 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.582 4.974 -1.803 1.00 0.00 H new ATOM 0 HG SER A 884 -15.620 5.320 0.489 1.00 0.00 H new ATOM 535 N ILE A 885 -12.998 4.583 -3.307 1.00 0.00 N ATOM 536 CA ILE A 885 -11.989 3.536 -3.548 1.00 0.00 C ATOM 537 C ILE A 885 -10.727 4.139 -4.196 1.00 0.00 C ATOM 538 O ILE A 885 -10.799 4.838 -5.209 1.00 0.00 O ATOM 539 CB ILE A 885 -12.629 2.376 -4.357 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.322 1.330 -3.451 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.650 1.585 -5.233 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.354 1.918 -2.490 1.00 0.00 C ATOM 0 H ILE A 885 -13.759 4.566 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.652 3.106 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.343 2.902 -4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.811 0.587 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.561 0.806 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.188 0.797 -5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.187 2.255 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.878 1.141 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -14.792 1.118 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -13.869 2.639 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.138 2.417 -3.059 1.00 0.00 H new ATOM 603 N ARG A 890 -8.908 -1.619 0.017 1.00 0.00 N ATOM 604 CA ARG A 890 -8.998 -3.091 -0.071 1.00 0.00 C ATOM 605 C ARG A 890 -10.420 -3.544 -0.422 1.00 0.00 C ATOM 606 O ARG A 890 -11.110 -4.192 0.367 1.00 0.00 O ATOM 607 CB ARG A 890 -8.383 -3.757 1.177 1.00 0.00 C ATOM 608 CG ARG A 890 -8.934 -3.269 2.530 1.00 0.00 C ATOM 609 CD ARG A 890 -8.271 -4.032 3.685 1.00 0.00 C ATOM 610 NE ARG A 890 -8.772 -3.575 4.998 1.00 0.00 N ATOM 611 CZ ARG A 890 -8.315 -2.572 5.727 1.00 0.00 C ATOM 612 NH1 ARG A 890 -7.320 -1.822 5.341 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -8.859 -2.295 6.878 1.00 0.00 N ATOM 0 HA ARG A 890 -8.389 -3.441 -0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.541 -4.833 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.306 -3.591 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.751 -2.200 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -10.014 -3.413 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -8.462 -5.099 3.574 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.191 -3.895 3.639 1.00 0.00 H new ATOM 0 HE ARG A 890 -9.561 -4.093 5.386 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.864 -2.000 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -6.998 -1.057 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -9.641 -2.853 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -8.503 -1.520 7.437 1.00 0.00 H new ATOM 627 N TRP A 891 -10.885 -3.133 -1.601 1.00 0.00 N ATOM 628 CA TRP A 891 -12.216 -3.469 -2.118 1.00 0.00 C ATOM 629 C TRP A 891 -12.251 -4.926 -2.598 1.00 0.00 C ATOM 630 O TRP A 891 -11.385 -5.337 -3.372 1.00 0.00 O ATOM 631 CB TRP A 891 -12.613 -2.516 -3.246 1.00 0.00 C ATOM 632 CG TRP A 891 -14.060 -2.585 -3.621 1.00 0.00 C ATOM 633 CD1 TRP A 891 -14.988 -1.707 -3.191 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.794 -3.573 -4.415 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.218 -2.012 -3.726 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.173 -3.191 -4.436 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.451 -4.762 -5.097 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.156 -3.950 -5.081 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.435 -5.549 -5.727 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.782 -5.144 -5.712 1.00 0.00 C ATOM 0 H TRP A 891 -10.341 -2.548 -2.235 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.939 -3.356 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.374 -1.496 -2.946 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.009 -2.739 -4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.794 -0.882 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.054 -1.439 -3.612 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.417 -5.073 -5.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.185 -3.621 -5.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.154 -6.466 -6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.532 -5.757 -6.190 1.00 0.00 H new ATOM 651 N ILE A 892 -13.253 -5.704 -2.175 1.00 0.00 N ATOM 652 CA ILE A 892 -13.403 -7.118 -2.560 1.00 0.00 C ATOM 653 C ILE A 892 -14.858 -7.502 -2.854 1.00 0.00 C ATOM 654 O ILE A 892 -15.787 -6.835 -2.383 1.00 0.00 O ATOM 655 CB ILE A 892 -12.788 -8.047 -1.485 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.591 -7.990 -0.169 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.300 -7.739 -1.232 1.00 0.00 C ATOM 658 CD1 ILE A 892 -13.366 -9.211 0.719 1.00 0.00 C ATOM 0 H ILE A 892 -13.989 -5.372 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.854 -7.251 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.846 -9.062 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.313 -7.091 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.653 -7.907 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.913 -8.416 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.738 -7.873 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.195 -6.710 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.957 -9.113 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.670 -10.111 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -12.310 -9.283 0.978 1.00 0.00 H new ATOM 670 N CYS A 893 -15.070 -8.631 -3.540 1.00 0.00 N ATOM 671 CA CYS A 893 -16.394 -9.186 -3.799 1.00 0.00 C ATOM 672 C CYS A 893 -17.271 -9.272 -2.522 1.00 0.00 C ATOM 673 O CYS A 893 -18.439 -8.902 -2.571 1.00 0.00 O ATOM 674 CB CYS A 893 -16.284 -10.564 -4.473 1.00 0.00 C ATOM 675 SG CYS A 893 -15.128 -10.671 -5.885 1.00 0.00 S ATOM 0 H CYS A 893 -14.313 -9.189 -3.934 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.894 -8.496 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.977 -11.291 -3.721 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.275 -10.859 -4.817 1.00 0.00 H new ATOM 0 HG CYS A 893 -15.068 -9.519 -6.485 1.00 0.00 H new ATOM 680 N MET A 894 -16.743 -9.733 -1.377 1.00 0.00 N ATOM 681 CA MET A 894 -17.558 -9.903 -0.155 1.00 0.00 C ATOM 682 C MET A 894 -18.075 -8.577 0.449 1.00 0.00 C ATOM 683 O MET A 894 -18.951 -8.591 1.315 1.00 0.00 O ATOM 684 CB MET A 894 -16.807 -10.736 0.898 1.00 0.00 C ATOM 685 CG MET A 894 -16.361 -12.103 0.363 1.00 0.00 C ATOM 686 SD MET A 894 -15.724 -13.257 1.616 1.00 0.00 S ATOM 687 CE MET A 894 -14.152 -12.463 2.048 1.00 0.00 C ATOM 0 H MET A 894 -15.763 -9.994 -1.268 1.00 0.00 H new ATOM 0 HA MET A 894 -18.448 -10.448 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.933 -10.181 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 894 -17.450 -10.882 1.766 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.206 -12.571 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 894 -15.588 -11.946 -0.389 1.00 0.00 H new ATOM 0 HE1 MET A 894 -13.642 -13.055 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 894 -13.523 -12.394 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 894 -14.344 -11.462 2.435 1.00 0.00 H new ATOM 697 N ASN A 895 -17.564 -7.432 -0.022 1.00 0.00 N ATOM 698 CA ASN A 895 -18.012 -6.076 0.329 1.00 0.00 C ATOM 699 C ASN A 895 -18.952 -5.445 -0.731 1.00 0.00 C ATOM 700 O ASN A 895 -19.522 -4.377 -0.496 1.00 0.00 O ATOM 701 CB ASN A 895 -16.749 -5.237 0.642 1.00 0.00 C ATOM 702 CG ASN A 895 -16.534 -4.012 -0.235 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.598 -2.875 0.208 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.264 -4.208 -1.503 1.00 0.00 N ATOM 0 H ASN A 895 -16.792 -7.424 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.645 -6.109 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.800 -4.912 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.875 -5.883 0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.107 -3.411 -2.120 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.211 -5.157 -1.872 1.00 0.00 H new ATOM 711 N ASN A 896 -19.093 -6.088 -1.896 1.00 0.00 N ATOM 712 CA ASN A 896 -19.815 -5.589 -3.075 1.00 0.00 C ATOM 713 C ASN A 896 -21.257 -5.141 -2.760 1.00 0.00 C ATOM 714 O ASN A 896 -22.015 -5.837 -2.080 1.00 0.00 O ATOM 715 CB ASN A 896 -19.790 -6.680 -4.168 1.00 0.00 C ATOM 716 CG ASN A 896 -20.478 -6.345 -5.481 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.816 -5.216 -5.800 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.721 -7.346 -6.292 1.00 0.00 N ATOM 0 H ASN A 896 -18.689 -7.012 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.307 -4.692 -3.430 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.749 -6.924 -4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.252 -7.580 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.189 -7.179 -7.183 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.442 -8.292 -6.032 1.00 0.00 H new ATOM 725 N SER A 897 -21.635 -3.992 -3.326 1.00 0.00 N ATOM 726 CA SER A 897 -22.995 -3.435 -3.287 1.00 0.00 C ATOM 727 C SER A 897 -24.076 -4.395 -3.801 1.00 0.00 C ATOM 728 O SER A 897 -25.135 -4.529 -3.187 1.00 0.00 O ATOM 729 CB SER A 897 -23.049 -2.173 -4.156 1.00 0.00 C ATOM 730 OG SER A 897 -22.418 -1.077 -3.510 1.00 0.00 O ATOM 0 H SER A 897 -20.983 -3.402 -3.842 1.00 0.00 H new ATOM 0 HA SER A 897 -23.205 -3.230 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 897 -22.561 -2.365 -5.112 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.087 -1.922 -4.373 1.00 0.00 H new ATOM 0 HG SER A 897 -22.465 -0.286 -4.087 1.00 0.00 H new ATOM 736 N ASP A 898 -23.818 -5.057 -4.931 1.00 0.00 N ATOM 737 CA ASP A 898 -24.786 -5.940 -5.599 1.00 0.00 C ATOM 738 C ASP A 898 -24.651 -7.398 -5.147 1.00 0.00 C ATOM 739 O ASP A 898 -23.766 -8.141 -5.577 1.00 0.00 O ATOM 740 CB ASP A 898 -24.705 -5.812 -7.127 1.00 0.00 C ATOM 741 CG ASP A 898 -24.925 -4.371 -7.644 1.00 0.00 C ATOM 742 OD1 ASP A 898 -24.320 -3.998 -8.675 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.740 -3.618 -7.057 1.00 0.00 O1- ATOM 0 H ASP A 898 -22.923 -4.997 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.778 -5.608 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.728 -6.163 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.450 -6.468 -7.577 1.00 0.00 H new ATOM 748 N LYS A 899 -25.604 -7.822 -4.313 1.00 0.00 N ATOM 749 CA LYS A 899 -25.674 -9.134 -3.640 1.00 0.00 C ATOM 750 C LYS A 899 -25.778 -10.326 -4.601 1.00 0.00 C ATOM 751 O LYS A 899 -25.508 -11.459 -4.203 1.00 0.00 O ATOM 752 CB LYS A 899 -26.857 -9.130 -2.651 1.00 0.00 C ATOM 753 CG LYS A 899 -26.694 -8.131 -1.491 1.00 0.00 C ATOM 754 CD LYS A 899 -25.874 -8.732 -0.345 1.00 0.00 C ATOM 755 CE LYS A 899 -26.723 -9.712 0.477 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.946 -10.310 1.595 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.397 -7.228 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.730 -9.271 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.772 -8.895 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.979 -10.132 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.206 -7.227 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.676 -7.837 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -25.002 -9.248 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.503 -7.935 0.300 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.594 -9.192 0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -27.095 -10.505 -0.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -26.552 -10.966 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -25.129 -10.827 1.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.613 -9.556 2.229 1.00 0.00 H new ATOM 770 N ARG A 900 -26.095 -10.067 -5.876 1.00 0.00 N ATOM 771 CA ARG A 900 -26.052 -11.046 -6.980 1.00 0.00 C ATOM 772 C ARG A 900 -24.634 -11.556 -7.261 1.00 0.00 C ATOM 773 O ARG A 900 -24.475 -12.678 -7.738 1.00 0.00 O ATOM 774 CB ARG A 900 -26.622 -10.394 -8.251 1.00 0.00 C ATOM 775 CG ARG A 900 -28.147 -10.209 -8.208 1.00 0.00 C ATOM 776 CD ARG A 900 -28.660 -9.485 -9.462 1.00 0.00 C ATOM 777 NE ARG A 900 -28.449 -10.278 -10.692 1.00 0.00 N ATOM 778 CZ ARG A 900 -28.498 -9.837 -11.937 1.00 0.00 C ATOM 779 NH1 ARG A 900 -28.749 -8.592 -12.226 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -28.291 -10.652 -12.931 1.00 0.00 N ATOM 0 H ARG A 900 -26.399 -9.142 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.651 -11.906 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.149 -9.423 -8.396 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.362 -11.007 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.631 -11.182 -8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.421 -9.640 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.723 -9.272 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.152 -8.526 -9.559 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.244 -11.269 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -28.916 -7.919 -11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -28.778 -8.290 -13.200 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.090 -11.636 -12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -28.330 -10.307 -13.890 1.00 0.00 H new ATOM 794 N PHE A 901 -23.613 -10.749 -6.954 1.00 0.00 N ATOM 795 CA PHE A 901 -22.207 -11.010 -7.311 1.00 0.00 C ATOM 796 C PHE A 901 -21.218 -10.734 -6.157 1.00 0.00 C ATOM 797 O PHE A 901 -20.022 -10.537 -6.382 1.00 0.00 O ATOM 798 CB PHE A 901 -21.870 -10.190 -8.572 1.00 0.00 C ATOM 799 CG PHE A 901 -22.836 -10.318 -9.740 1.00 0.00 C ATOM 800 CD1 PHE A 901 -22.723 -11.385 -10.650 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.843 -9.351 -9.935 1.00 0.00 C ATOM 802 CE1 PHE A 901 -23.609 -11.494 -11.736 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.733 -9.460 -11.018 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.618 -10.534 -11.918 1.00 0.00 C ATOM 0 H PHE A 901 -23.739 -9.877 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.093 -12.074 -7.516 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.812 -9.139 -8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.878 -10.483 -8.915 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -21.949 -12.126 -10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -23.931 -8.522 -9.249 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.514 -12.316 -12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -25.505 -8.718 -11.159 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.304 -10.621 -12.748 1.00 0.00 H new ATOM 814 N ALA A 902 -21.714 -10.684 -4.918 1.00 0.00 N ATOM 815 CA ALA A 902 -21.006 -10.247 -3.714 1.00 0.00 C ATOM 816 C ALA A 902 -20.343 -11.379 -2.909 1.00 0.00 C ATOM 817 O ALA A 902 -20.386 -11.409 -1.680 1.00 0.00 O ATOM 818 CB ALA A 902 -21.952 -9.386 -2.861 1.00 0.00 C ATOM 0 H ALA A 902 -22.674 -10.963 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.157 -9.645 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.432 -9.056 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.270 -8.516 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.825 -9.974 -2.580 1.00 0.00 H new ATOM 824 N ASP A 903 -19.701 -12.302 -3.617 1.00 0.00 N ATOM 825 CA ASP A 903 -18.751 -13.267 -3.061 1.00 0.00 C ATOM 826 C ASP A 903 -17.621 -13.523 -4.054 1.00 0.00 C ATOM 827 O ASP A 903 -17.833 -13.505 -5.268 1.00 0.00 O ATOM 828 CB ASP A 903 -19.449 -14.575 -2.652 1.00 0.00 C ATOM 829 CG ASP A 903 -20.205 -14.505 -1.312 1.00 0.00 C ATOM 830 OD1 ASP A 903 -21.433 -14.765 -1.292 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.556 -14.282 -0.261 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.829 -12.405 -4.624 1.00 0.00 H new ATOM 0 HA ASP A 903 -18.321 -12.841 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -20.151 -14.858 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.702 -15.367 -2.592 1.00 0.00 H new ATOM 836 N CYS A 904 -16.430 -13.823 -3.531 1.00 0.00 N ATOM 837 CA CYS A 904 -15.258 -14.192 -4.318 1.00 0.00 C ATOM 838 C CYS A 904 -15.479 -15.493 -5.144 1.00 0.00 C ATOM 839 O CYS A 904 -14.673 -15.831 -6.015 1.00 0.00 O ATOM 840 CB CYS A 904 -14.076 -14.256 -3.332 1.00 0.00 C ATOM 841 SG CYS A 904 -13.623 -12.577 -2.738 1.00 0.00 S ATOM 0 H CYS A 904 -16.253 -13.815 -2.527 1.00 0.00 H new ATOM 0 HA CYS A 904 -15.047 -13.451 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -14.339 -14.887 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -13.217 -14.718 -3.818 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.626 -12.665 -1.908 1.00 0.00 H new ATOM 846 N SER A 905 -16.579 -16.208 -4.871 1.00 0.00 N ATOM 847 CA SER A 905 -17.029 -17.390 -5.613 1.00 0.00 C ATOM 848 C SER A 905 -18.006 -17.053 -6.753 1.00 0.00 C ATOM 849 O SER A 905 -18.172 -17.860 -7.671 1.00 0.00 O ATOM 850 CB SER A 905 -17.708 -18.385 -4.666 1.00 0.00 C ATOM 851 OG SER A 905 -16.835 -18.761 -3.609 1.00 0.00 O ATOM 0 H SER A 905 -17.201 -15.969 -4.099 1.00 0.00 H new ATOM 0 HA SER A 905 -16.134 -17.826 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.613 -17.940 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 905 -18.014 -19.271 -5.222 1.00 0.00 H new ATOM 0 HG SER A 905 -17.292 -19.395 -3.017 1.00 0.00 H new ATOM 857 N LYS A 906 -18.675 -15.888 -6.704 1.00 0.00 N ATOM 858 CA LYS A 906 -19.624 -15.432 -7.736 1.00 0.00 C ATOM 859 C LYS A 906 -18.936 -14.886 -8.996 1.00 0.00 C ATOM 860 O LYS A 906 -17.727 -14.653 -9.033 1.00 0.00 O ATOM 861 CB LYS A 906 -20.562 -14.363 -7.153 1.00 0.00 C ATOM 862 CG LYS A 906 -21.619 -14.813 -6.144 1.00 0.00 C ATOM 863 CD LYS A 906 -22.489 -15.986 -6.604 1.00 0.00 C ATOM 864 CE LYS A 906 -23.226 -15.737 -7.924 1.00 0.00 C ATOM 865 NZ LYS A 906 -24.213 -16.813 -8.211 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.570 -15.226 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.193 -16.309 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.946 -13.602 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.077 -13.880 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.120 -15.092 -5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.267 -13.966 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.861 -16.870 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -23.221 -16.208 -5.828 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -23.737 -14.775 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.504 -15.677 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.693 -16.612 -9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.721 -17.727 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.916 -16.853 -7.445 1.00 0.00 H new ATOM 879 N SER A 907 -19.759 -14.628 -10.013 1.00 0.00 N ATOM 880 CA SER A 907 -19.365 -14.137 -11.341 1.00 0.00 C ATOM 881 C SER A 907 -19.471 -12.603 -11.425 1.00 0.00 C ATOM 882 O SER A 907 -19.380 -11.921 -10.402 1.00 0.00 O ATOM 883 CB SER A 907 -20.195 -14.895 -12.392 1.00 0.00 C ATOM 884 OG SER A 907 -19.701 -14.673 -13.703 1.00 0.00 O ATOM 0 H SER A 907 -20.767 -14.761 -9.933 1.00 0.00 H new ATOM 0 HA SER A 907 -18.313 -14.340 -11.540 1.00 0.00 H new ATOM 0 HB2 SER A 907 -20.177 -15.962 -12.171 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.236 -14.575 -12.335 1.00 0.00 H new ATOM 0 HG SER A 907 -18.769 -14.372 -13.655 1.00 0.00 H new ATOM 890 N GLN A 908 -19.667 -12.057 -12.622 1.00 0.00 N ATOM 891 CA GLN A 908 -19.908 -10.639 -12.921 1.00 0.00 C ATOM 892 C GLN A 908 -20.805 -10.479 -14.168 1.00 0.00 C ATOM 893 O GLN A 908 -20.982 -11.421 -14.941 1.00 0.00 O ATOM 894 CB GLN A 908 -18.556 -9.912 -13.061 1.00 0.00 C ATOM 895 CG GLN A 908 -17.812 -10.280 -14.352 1.00 0.00 C ATOM 896 CD GLN A 908 -16.295 -10.078 -14.316 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.591 -10.361 -13.355 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.714 -9.616 -15.399 1.00 0.00 N ATOM 0 H GLN A 908 -19.662 -12.627 -13.468 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.453 -10.177 -12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.724 -8.835 -13.039 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -17.928 -10.155 -12.204 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.017 -11.325 -14.584 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.221 -9.686 -15.169 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.276 -9.372 -16.215 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.701 -9.501 -15.425 1.00 0.00 H new ATOM 907 N GLU A 909 -21.373 -9.286 -14.376 1.00 0.00 N ATOM 908 CA GLU A 909 -22.352 -9.034 -15.456 1.00 0.00 C ATOM 909 C GLU A 909 -21.777 -9.142 -16.886 1.00 0.00 C ATOM 910 O GLU A 909 -22.525 -9.466 -17.811 1.00 0.00 O ATOM 911 CB GLU A 909 -23.022 -7.663 -15.248 1.00 0.00 C ATOM 912 CG GLU A 909 -24.043 -7.722 -14.102 1.00 0.00 C ATOM 913 CD GLU A 909 -24.421 -6.337 -13.554 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.113 -6.076 -12.367 1.00 0.00 O ATOM 915 OE2 GLU A 909 -25.027 -5.503 -14.266 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.172 -8.465 -13.805 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.089 -9.834 -15.382 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.263 -6.912 -15.027 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.518 -7.353 -16.167 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -24.944 -8.225 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.635 -8.327 -13.292 1.00 0.00 H new ATOM 922 N MET A 910 -20.466 -8.928 -17.071 1.00 0.00 N ATOM 923 CA MET A 910 -19.766 -9.069 -18.362 1.00 0.00 C ATOM 924 C MET A 910 -18.327 -9.548 -18.148 1.00 0.00 C ATOM 925 O MET A 910 -17.608 -8.958 -17.341 1.00 0.00 O ATOM 926 CB MET A 910 -19.705 -7.738 -19.134 1.00 0.00 C ATOM 927 CG MET A 910 -21.047 -7.110 -19.526 1.00 0.00 C ATOM 928 SD MET A 910 -21.760 -5.984 -18.292 1.00 0.00 S ATOM 929 CE MET A 910 -23.318 -5.577 -19.122 1.00 0.00 C ATOM 0 H MET A 910 -19.846 -8.646 -16.312 1.00 0.00 H new ATOM 0 HA MET A 910 -20.334 -9.798 -18.940 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.156 -7.017 -18.528 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.125 -7.898 -20.043 1.00 0.00 H new ATOM 0 HG2 MET A 910 -20.916 -6.564 -20.460 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.762 -7.910 -19.721 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.892 -4.888 -18.502 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.107 -5.109 -20.084 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.895 -6.488 -19.281 1.00 0.00 H new ATOM 939 N SER A 911 -17.870 -10.569 -18.877 1.00 0.00 N ATOM 940 CA SER A 911 -16.481 -11.071 -18.772 1.00 0.00 C ATOM 941 C SER A 911 -15.469 -10.001 -19.186 1.00 0.00 C ATOM 942 O SER A 911 -15.821 -9.049 -19.880 1.00 0.00 O ATOM 943 CB SER A 911 -16.252 -12.335 -19.606 1.00 0.00 C ATOM 944 OG SER A 911 -17.313 -13.270 -19.468 1.00 0.00 O ATOM 0 H SER A 911 -18.441 -11.074 -19.555 1.00 0.00 H new ATOM 0 HA SER A 911 -16.330 -11.323 -17.722 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.146 -12.061 -20.656 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.316 -12.803 -19.303 1.00 0.00 H new ATOM 0 HG SER A 911 -17.127 -14.060 -20.018 1.00 0.00 H new ATOM 950 N ASN A 912 -14.205 -10.133 -18.779 1.00 0.00 N ATOM 951 CA ASN A 912 -13.194 -9.076 -18.959 1.00 0.00 C ATOM 952 C ASN A 912 -13.033 -8.655 -20.437 1.00 0.00 C ATOM 953 O ASN A 912 -12.884 -7.467 -20.715 1.00 0.00 O ATOM 954 CB ASN A 912 -11.859 -9.537 -18.336 1.00 0.00 C ATOM 955 CG ASN A 912 -10.678 -8.696 -18.783 1.00 0.00 C ATOM 956 OD1 ASN A 912 -9.884 -9.080 -19.626 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.539 -7.506 -18.246 1.00 0.00 N ATOM 0 H ASN A 912 -13.849 -10.970 -18.317 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.535 -8.180 -18.440 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.937 -9.496 -17.250 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.679 -10.578 -18.604 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -9.768 -6.904 -18.534 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -11.202 -7.184 -17.541 1.00 0.00 H new ATOM 964 N GLU A 913 -13.144 -9.610 -21.363 1.00 0.00 N ATOM 965 CA GLU A 913 -13.099 -9.419 -22.823 1.00 0.00 C ATOM 966 C GLU A 913 -14.427 -8.918 -23.450 1.00 0.00 C ATOM 967 O GLU A 913 -14.529 -8.759 -24.668 1.00 0.00 O ATOM 968 CB GLU A 913 -12.604 -10.716 -23.493 1.00 0.00 C ATOM 969 CG GLU A 913 -13.563 -11.923 -23.430 1.00 0.00 C ATOM 970 CD GLU A 913 -13.272 -12.885 -22.255 1.00 0.00 C ATOM 971 OE1 GLU A 913 -13.295 -12.448 -21.080 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.047 -14.095 -22.502 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.274 -10.589 -21.107 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.394 -8.610 -23.013 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.392 -10.501 -24.540 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -11.661 -11.003 -23.029 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.587 -11.559 -23.345 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -13.498 -12.477 -24.367 1.00 0.00 H new ATOM 979 N GLU A 914 -15.456 -8.689 -22.630 1.00 0.00 N ATOM 980 CA GLU A 914 -16.774 -8.153 -22.994 1.00 0.00 C ATOM 981 C GLU A 914 -17.004 -6.755 -22.392 1.00 0.00 C ATOM 982 O GLU A 914 -17.558 -5.888 -23.068 1.00 0.00 O ATOM 983 CB GLU A 914 -17.892 -9.093 -22.509 1.00 0.00 C ATOM 984 CG GLU A 914 -17.809 -10.530 -23.042 1.00 0.00 C ATOM 985 CD GLU A 914 -19.016 -11.389 -22.597 1.00 0.00 C ATOM 986 OE1 GLU A 914 -19.517 -11.225 -21.456 1.00 0.00 O ATOM 987 OE2 GLU A 914 -19.470 -12.249 -23.394 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.389 -8.885 -21.631 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.799 -8.076 -24.081 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.873 -9.124 -21.420 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.853 -8.669 -22.799 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.761 -10.510 -24.131 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -16.887 -10.993 -22.691 1.00 0.00 H new ATOM 994 N ILE A 915 -16.559 -6.506 -21.147 1.00 0.00 N ATOM 995 CA ILE A 915 -16.575 -5.157 -20.557 1.00 0.00 C ATOM 996 C ILE A 915 -15.580 -4.229 -21.269 1.00 0.00 C ATOM 997 O ILE A 915 -15.964 -3.172 -21.749 1.00 0.00 O ATOM 998 CB ILE A 915 -16.425 -5.160 -19.007 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.133 -3.761 -18.429 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.362 -6.110 -18.438 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.181 -2.731 -18.835 1.00 0.00 C ATOM 0 H ILE A 915 -16.183 -7.225 -20.529 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.569 -4.744 -20.729 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.405 -5.522 -18.696 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.091 -3.822 -17.342 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.152 -3.429 -18.768 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.346 -6.029 -17.351 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.601 -7.135 -18.721 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.384 -5.842 -18.837 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.928 -1.764 -18.401 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -17.206 -2.646 -19.921 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.160 -3.046 -18.473 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.310 -4.602 -21.384 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.264 -3.744 -21.970 1.00 0.00 C ATOM 1015 C ASN A 916 -13.620 -3.183 -23.376 1.00 0.00 C ATOM 1016 O ASN A 916 -13.239 -2.063 -23.715 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.921 -4.508 -21.963 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.832 -5.673 -22.952 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.808 -6.176 -23.485 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.641 -6.138 -23.251 1.00 0.00 N ATOM 0 H ASN A 916 -13.967 -5.511 -21.074 1.00 0.00 H new ATOM 0 HA ASN A 916 -13.178 -2.855 -21.346 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -11.119 -3.803 -22.182 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.744 -4.891 -20.958 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.545 -6.905 -23.917 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.812 -5.732 -22.817 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.422 -3.915 -24.150 1.00 0.00 N ATOM 1028 CA GLU A 917 -15.031 -3.519 -25.425 1.00 0.00 C ATOM 1029 C GLU A 917 -16.043 -2.358 -25.318 1.00 0.00 C ATOM 1030 O GLU A 917 -16.151 -1.549 -26.241 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.737 -4.758 -25.998 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.836 -5.602 -26.913 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.449 -4.880 -28.223 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -13.236 -4.779 -28.530 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -15.350 -4.427 -28.972 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.682 -4.865 -23.887 1.00 0.00 H new ATOM 0 HA GLU A 917 -14.233 -3.150 -26.069 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -16.091 -5.379 -25.175 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.616 -4.440 -26.558 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.928 -5.869 -26.372 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -15.348 -6.533 -27.157 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.774 -2.248 -24.205 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.739 -1.170 -23.932 1.00 0.00 C ATOM 1044 C GLU A 918 -17.049 0.199 -23.816 1.00 0.00 C ATOM 1045 O GLU A 918 -17.532 1.189 -24.367 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.534 -1.476 -22.640 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.814 -0.635 -22.480 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.878 -0.865 -23.582 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.978 -1.983 -24.146 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -21.655 0.076 -23.874 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.712 -2.925 -23.444 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.427 -1.124 -24.776 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.802 -2.533 -22.632 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.888 -1.304 -21.779 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -20.260 -0.857 -21.511 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.541 0.420 -22.471 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.899 0.256 -23.132 1.00 0.00 N ATOM 1058 CA LEU A 919 -15.077 1.468 -23.020 1.00 0.00 C ATOM 1059 C LEU A 919 -14.159 1.661 -24.242 1.00 0.00 C ATOM 1060 O LEU A 919 -13.875 2.794 -24.635 1.00 0.00 O ATOM 1061 CB LEU A 919 -14.234 1.426 -21.733 1.00 0.00 C ATOM 1062 CG LEU A 919 -15.029 1.137 -20.440 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.884 -0.327 -20.036 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.518 2.013 -19.306 1.00 0.00 C ATOM 0 H LEU A 919 -15.509 -0.546 -22.636 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.759 2.317 -22.981 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.464 0.663 -21.846 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.722 2.382 -21.621 1.00 0.00 H new ATOM 0 HG LEU A 919 -16.079 1.356 -20.633 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.451 -0.510 -19.123 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -15.265 -0.964 -20.834 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.832 -0.554 -19.861 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.085 1.802 -18.399 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.463 1.803 -19.131 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.640 3.063 -19.574 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.707 0.553 -24.838 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.800 0.518 -25.993 1.00 0.00 C ATOM 1078 C GLY A 920 -11.322 0.476 -25.588 1.00 0.00 C ATOM 1079 O GLY A 920 -10.509 1.232 -26.125 1.00 0.00 O ATOM 0 H GLY A 920 -13.972 -0.379 -24.519 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -13.030 -0.356 -26.603 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.977 1.396 -26.614 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.986 -0.371 -24.608 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.675 -0.443 -23.937 1.00 0.00 C ATOM 1085 C ILE A 921 -9.063 -1.856 -23.972 1.00 0.00 C ATOM 1086 O ILE A 921 -9.736 -2.843 -24.278 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.774 0.109 -22.492 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.676 -0.772 -21.599 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -10.213 1.583 -22.505 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.707 -0.334 -20.131 1.00 0.00 C ATOM 0 H ILE A 921 -11.647 -1.057 -24.242 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.988 0.190 -24.499 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.781 0.069 -22.045 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.691 -0.756 -21.995 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.329 -1.804 -21.654 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.277 1.953 -21.482 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.485 2.175 -23.060 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -11.189 1.668 -22.983 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.361 -0.999 -19.567 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.700 -0.378 -19.717 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.083 0.687 -20.064 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.615 3.458 -16.139 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.769 4.340 -15.921 1.00 0.00 C ATOM 1264 C GLN B 5 -15.724 4.344 -17.126 1.00 0.00 C ATOM 1265 O GLN B 5 -15.541 5.101 -18.082 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.294 5.757 -15.537 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.698 5.874 -14.117 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.222 5.497 -13.958 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -11.535 5.030 -14.856 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -11.662 5.693 -12.785 1.00 0.00 N ATOM 0 HA GLN B 5 -15.347 3.948 -15.084 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -13.545 6.083 -16.259 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.137 6.443 -15.621 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.825 6.902 -13.778 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.284 5.243 -13.449 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -12.210 6.081 -12.017 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.680 5.457 -12.643 1.00 0.00 H new ATOM 1279 N THR B 6 -16.754 3.490 -17.079 1.00 0.00 N ATOM 1280 CA THR B 6 -17.832 3.431 -18.085 1.00 0.00 C ATOM 1281 C THR B 6 -18.609 4.754 -18.161 1.00 0.00 C ATOM 1282 O THR B 6 -18.994 5.322 -17.138 1.00 0.00 O ATOM 1283 CB THR B 6 -18.805 2.259 -17.845 1.00 0.00 C ATOM 1284 OG1 THR B 6 -18.916 1.924 -16.479 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.342 1.003 -18.582 1.00 0.00 C ATOM 0 H THR B 6 -16.867 2.807 -16.330 1.00 0.00 H new ATOM 0 HA THR B 6 -17.339 3.260 -19.042 1.00 0.00 H new ATOM 0 HB THR B 6 -19.772 2.597 -18.218 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.386 1.121 -16.295 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.046 0.192 -18.396 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.296 1.205 -19.652 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.353 0.715 -18.224 1.00 0.00 H new