USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 908 GLN : amide:sc= 2.67 K(o=3.3,f=-5.1!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.603 K(o=3.3,f=-6.5!) USER MOD Set 2.1: A 868 CYS SG : rot -144:sc= 1.18 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 0.0214 USER MOD Set 2.3: A 893 CYS SG : rot 60:sc= -1.89! USER MOD Set 2.4: A 904 CYS SG : rot 180:sc= -0.0652 USER MOD Single : A 863 SER OG : rot -33:sc= 0.82 USER MOD Single : A 873 LYS NZ :NH3+ 178:sc= 1.41 (180deg=1.4) 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 172:sc= 0 (180deg=-0.0529) USER MOD Single : A 895 ASN : amide:sc= 2.19 K(o=2.2,f=-0.001) USER MOD Single : A 896 ASN : amide:sc= 0.22 K(o=0.22,f=-2.9!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.00463 USER MOD Single : A 916 ASN : amide:sc= -0.486 K(o=-0.49,f=-5.1!) USER MOD Single : B 5 GLN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.222 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.152 6.739 -13.372 1.00 0.00 N ATOM 189 CA SER A 863 -20.947 5.420 -12.745 1.00 0.00 C ATOM 190 C SER A 863 -19.828 4.602 -13.416 1.00 0.00 C ATOM 191 O SER A 863 -19.540 4.758 -14.610 1.00 0.00 O ATOM 192 CB SER A 863 -22.266 4.635 -12.736 1.00 0.00 C ATOM 193 OG SER A 863 -22.611 4.156 -14.023 1.00 0.00 O ATOM 0 HA SER A 863 -20.621 5.598 -11.720 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.182 3.794 -12.048 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.065 5.275 -12.362 1.00 0.00 H new ATOM 0 HG SER A 863 -22.306 4.794 -14.702 1.00 0.00 H new ATOM 199 N ALA A 864 -19.183 3.726 -12.642 1.00 0.00 N ATOM 200 CA ALA A 864 -17.933 3.072 -13.035 1.00 0.00 C ATOM 201 C ALA A 864 -17.879 1.601 -12.599 1.00 0.00 C ATOM 202 O ALA A 864 -18.818 1.085 -11.998 1.00 0.00 O ATOM 203 CB ALA A 864 -16.784 3.892 -12.433 1.00 0.00 C ATOM 0 H ALA A 864 -19.516 3.449 -11.719 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.853 3.046 -14.122 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.831 3.437 -12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.822 4.910 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.881 3.912 -11.348 1.00 0.00 H new ATOM 209 N TRP A 865 -16.788 0.904 -12.899 1.00 0.00 N ATOM 210 CA TRP A 865 -16.487 -0.407 -12.316 1.00 0.00 C ATOM 211 C TRP A 865 -15.525 -0.319 -11.117 1.00 0.00 C ATOM 212 O TRP A 865 -15.054 0.759 -10.750 1.00 0.00 O ATOM 213 CB TRP A 865 -15.992 -1.322 -13.434 1.00 0.00 C ATOM 214 CG TRP A 865 -17.015 -1.540 -14.510 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.371 -0.642 -15.456 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.881 -2.695 -14.722 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.409 -1.141 -16.214 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.725 -2.432 -15.843 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.986 -3.963 -14.113 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.585 -3.407 -16.371 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.874 -4.938 -14.610 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.662 -4.663 -15.741 1.00 0.00 C ATOM 0 H TRP A 865 -16.081 1.231 -13.557 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.393 -0.836 -11.888 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.093 -0.892 -13.877 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.709 -2.285 -13.009 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.910 0.324 -15.597 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.882 -0.623 -16.954 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.376 -4.190 -13.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.179 -3.197 -17.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.949 -5.898 -14.121 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.329 -5.419 -16.128 1.00 0.00 H new ATOM 233 N VAL A 866 -15.252 -1.471 -10.500 1.00 0.00 N ATOM 234 CA VAL A 866 -14.185 -1.689 -9.504 1.00 0.00 C ATOM 235 C VAL A 866 -13.656 -3.126 -9.586 1.00 0.00 C ATOM 236 O VAL A 866 -14.435 -4.054 -9.818 1.00 0.00 O ATOM 237 CB VAL A 866 -14.668 -1.315 -8.089 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.861 -2.154 -7.619 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.569 -1.418 -7.028 1.00 0.00 C ATOM 0 H VAL A 866 -15.789 -2.318 -10.685 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.349 -1.028 -9.733 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.975 -0.274 -8.188 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.153 -1.842 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.698 -2.010 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.582 -3.207 -7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.975 -1.141 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.197 -2.442 -6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.751 -0.744 -7.284 1.00 0.00 H new ATOM 249 N ARG A 867 -12.335 -3.312 -9.437 1.00 0.00 N ATOM 250 CA ARG A 867 -11.679 -4.633 -9.339 1.00 0.00 C ATOM 251 C ARG A 867 -11.730 -5.165 -7.903 1.00 0.00 C ATOM 252 O ARG A 867 -11.513 -4.396 -6.966 1.00 0.00 O ATOM 253 CB ARG A 867 -10.204 -4.544 -9.801 1.00 0.00 C ATOM 254 CG ARG A 867 -9.764 -5.752 -10.646 1.00 0.00 C ATOM 255 CD ARG A 867 -8.315 -5.627 -11.148 1.00 0.00 C ATOM 256 NE ARG A 867 -7.327 -6.173 -10.188 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.069 -5.796 -10.033 1.00 0.00 C ATOM 258 NH1 ARG A 867 -5.529 -4.833 -10.725 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -5.303 -6.370 -9.153 1.00 0.00 N ATOM 0 H ARG A 867 -11.677 -2.535 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.220 -5.320 -9.990 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.065 -3.632 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.559 -4.466 -8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.862 -6.661 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.433 -5.856 -11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.218 -6.150 -12.099 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.090 -4.577 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.654 -6.923 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.082 -4.334 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -4.554 -4.578 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.670 -7.122 -8.570 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -4.335 -6.068 -9.045 1.00 0.00 H new ATOM 273 N CYS A 868 -11.898 -6.474 -7.726 1.00 0.00 N ATOM 274 CA CYS A 868 -11.556 -7.136 -6.475 1.00 0.00 C ATOM 275 C CYS A 868 -10.019 -7.134 -6.279 1.00 0.00 C ATOM 276 O CYS A 868 -9.268 -7.677 -7.098 1.00 0.00 O ATOM 277 CB CYS A 868 -12.193 -8.533 -6.449 1.00 0.00 C ATOM 278 SG CYS A 868 -11.764 -9.379 -4.884 1.00 0.00 S ATOM 0 H CYS A 868 -12.272 -7.098 -8.441 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.964 -6.595 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.276 -8.451 -6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.842 -9.119 -7.298 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.595 -10.648 -5.109 1.00 0.00 H new ATOM 283 N ASP A 869 -9.560 -6.527 -5.185 1.00 0.00 N ATOM 284 CA ASP A 869 -8.167 -6.544 -4.726 1.00 0.00 C ATOM 285 C ASP A 869 -7.680 -7.932 -4.250 1.00 0.00 C ATOM 286 O ASP A 869 -6.478 -8.113 -4.040 1.00 0.00 O ATOM 287 CB ASP A 869 -8.000 -5.494 -3.614 1.00 0.00 C ATOM 288 CG ASP A 869 -7.954 -4.054 -4.162 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.827 -3.228 -3.809 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.009 -3.738 -4.927 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.170 -5.989 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.539 -6.301 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.825 -5.584 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.083 -5.698 -3.061 1.00 0.00 H new ATOM 295 N ASP A 870 -8.577 -8.917 -4.099 1.00 0.00 N ATOM 296 CA ASP A 870 -8.241 -10.300 -3.721 1.00 0.00 C ATOM 297 C ASP A 870 -8.327 -11.287 -4.911 1.00 0.00 C ATOM 298 O ASP A 870 -7.584 -12.272 -4.951 1.00 0.00 O ATOM 299 CB ASP A 870 -9.134 -10.744 -2.546 1.00 0.00 C ATOM 300 CG ASP A 870 -8.646 -12.037 -1.857 1.00 0.00 C ATOM 301 OD1 ASP A 870 -7.418 -12.219 -1.663 1.00 0.00 O ATOM 302 OD2 ASP A 870 -9.496 -12.859 -1.439 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.577 -8.773 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.198 -10.317 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.176 -9.942 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.150 -10.897 -2.910 1.00 0.00 H new ATOM 307 N CYS A 871 -9.172 -10.988 -5.909 1.00 0.00 N ATOM 308 CA CYS A 871 -9.247 -11.669 -7.199 1.00 0.00 C ATOM 309 C CYS A 871 -8.599 -10.794 -8.315 1.00 0.00 C ATOM 310 O CYS A 871 -7.388 -10.569 -8.357 1.00 0.00 O ATOM 311 CB CYS A 871 -10.729 -12.049 -7.502 1.00 0.00 C ATOM 312 SG CYS A 871 -11.538 -13.107 -6.274 1.00 0.00 S ATOM 0 H CYS A 871 -9.850 -10.230 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.675 -12.596 -7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.307 -11.130 -7.600 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.765 -12.553 -8.468 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.761 -13.344 -6.644 1.00 0.00 H new ATOM 317 N PHE A 872 -9.473 -10.351 -9.220 1.00 0.00 N ATOM 318 CA PHE A 872 -9.301 -9.570 -10.454 1.00 0.00 C ATOM 319 C PHE A 872 -10.671 -9.343 -11.147 1.00 0.00 C ATOM 320 O PHE A 872 -10.799 -8.457 -11.990 1.00 0.00 O ATOM 321 CB PHE A 872 -8.345 -10.274 -11.429 1.00 0.00 C ATOM 322 CG PHE A 872 -8.842 -11.590 -12.003 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.490 -11.610 -13.253 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.659 -12.794 -11.295 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.964 -12.822 -13.786 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.135 -14.006 -11.825 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.789 -14.021 -13.071 1.00 0.00 C ATOM 0 H PHE A 872 -10.462 -10.561 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.870 -8.608 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.133 -9.595 -12.255 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.401 -10.456 -10.916 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.623 -10.691 -13.804 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.151 -12.786 -10.342 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.462 -12.832 -14.744 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -8.999 -14.926 -11.276 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.156 -14.952 -13.478 1.00 0.00 H new ATOM 337 N LYS A 873 -11.688 -10.134 -10.763 1.00 0.00 N ATOM 338 CA LYS A 873 -13.137 -9.969 -11.001 1.00 0.00 C ATOM 339 C LYS A 873 -13.606 -8.512 -10.852 1.00 0.00 C ATOM 340 O LYS A 873 -13.071 -7.771 -10.025 1.00 0.00 O ATOM 341 CB LYS A 873 -13.876 -10.882 -9.991 1.00 0.00 C ATOM 342 CG LYS A 873 -15.066 -11.671 -10.551 1.00 0.00 C ATOM 343 CD LYS A 873 -16.428 -11.030 -10.257 1.00 0.00 C ATOM 344 CE LYS A 873 -16.917 -11.367 -8.840 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.139 -10.615 -8.478 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.502 -10.983 -10.229 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.362 -10.248 -12.031 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.158 -11.590 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.230 -10.266 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.948 -11.772 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.051 -12.678 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.354 -9.948 -10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.159 -11.377 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -17.116 -12.436 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -16.128 -11.143 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.452 -10.898 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.934 -9.595 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -18.891 -10.822 -9.166 1.00 0.00 H new ATOM 359 N TRP A 874 -14.630 -8.119 -11.611 1.00 0.00 N ATOM 360 CA TRP A 874 -15.135 -6.741 -11.694 1.00 0.00 C ATOM 361 C TRP A 874 -16.590 -6.597 -11.220 1.00 0.00 C ATOM 362 O TRP A 874 -17.357 -7.561 -11.265 1.00 0.00 O ATOM 363 CB TRP A 874 -14.989 -6.234 -13.139 1.00 0.00 C ATOM 364 CG TRP A 874 -13.606 -6.291 -13.714 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.098 -7.306 -14.445 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.509 -5.352 -13.539 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.775 -7.053 -14.755 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.358 -5.869 -14.204 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.360 -4.126 -12.864 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.124 -5.213 -14.215 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.108 -3.486 -12.826 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.998 -3.998 -13.517 1.00 0.00 C ATOM 0 H TRP A 874 -15.149 -8.767 -12.204 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.535 -6.134 -11.016 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.652 -6.818 -13.778 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.336 -5.202 -13.179 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.646 -8.187 -14.744 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.187 -7.666 -15.319 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.210 -3.675 -12.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.283 -5.631 -14.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -10.998 -2.578 -12.251 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.059 -3.465 -13.513 1.00 0.00 H new ATOM 383 N ARG A 875 -17.001 -5.382 -10.822 1.00 0.00 N ATOM 384 CA ARG A 875 -18.401 -5.021 -10.510 1.00 0.00 C ATOM 385 C ARG A 875 -18.706 -3.576 -10.890 1.00 0.00 C ATOM 386 O ARG A 875 -17.887 -2.698 -10.640 1.00 0.00 O ATOM 387 CB ARG A 875 -18.691 -5.212 -9.008 1.00 0.00 C ATOM 388 CG ARG A 875 -18.921 -6.669 -8.579 1.00 0.00 C ATOM 389 CD ARG A 875 -20.065 -7.377 -9.324 1.00 0.00 C ATOM 390 NE ARG A 875 -21.335 -6.617 -9.302 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.345 -6.778 -10.139 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.389 -7.738 -11.009 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.369 -5.989 -10.137 1.00 0.00 N ATOM 0 H ARG A 875 -16.355 -4.601 -10.704 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.038 -5.683 -11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.856 -4.807 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.572 -4.627 -8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.000 -7.231 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.131 -6.691 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.767 -7.544 -10.359 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.228 -8.358 -8.877 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.440 -5.907 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.623 -8.409 -11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.190 -7.823 -11.635 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.414 -5.214 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.132 -6.142 -10.797 1.00 0.00 H new ATOM 407 N ARG A 876 -19.891 -3.337 -11.461 1.00 0.00 N ATOM 408 CA ARG A 876 -20.451 -2.008 -11.763 1.00 0.00 C ATOM 409 C ARG A 876 -20.976 -1.368 -10.469 1.00 0.00 C ATOM 410 O ARG A 876 -21.812 -1.950 -9.779 1.00 0.00 O ATOM 411 CB ARG A 876 -21.521 -2.177 -12.864 1.00 0.00 C ATOM 412 CG ARG A 876 -21.845 -0.916 -13.685 1.00 0.00 C ATOM 413 CD ARG A 876 -22.280 0.266 -12.811 1.00 0.00 C ATOM 414 NE ARG A 876 -23.030 1.294 -13.555 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.315 1.287 -13.858 1.00 0.00 C ATOM 416 NH1 ARG A 876 -25.090 0.261 -13.642 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -24.851 2.346 -14.383 1.00 0.00 N ATOM 0 H ARG A 876 -20.516 -4.094 -11.739 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.697 -1.322 -12.149 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.190 -2.958 -13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.441 -2.530 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.967 -0.630 -14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.637 -1.146 -14.398 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -22.898 -0.104 -11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.397 0.722 -12.363 1.00 0.00 H new ATOM 0 HE ARG A 876 -22.495 2.103 -13.872 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -24.709 -0.586 -13.221 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -26.077 0.306 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -24.280 3.173 -14.558 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -25.843 2.351 -14.621 1.00 0.00 H new ATOM 431 N ILE A 877 -20.488 -0.168 -10.165 1.00 0.00 N ATOM 432 CA ILE A 877 -20.781 0.647 -8.975 1.00 0.00 C ATOM 433 C ILE A 877 -21.168 2.089 -9.360 1.00 0.00 C ATOM 434 O ILE A 877 -20.752 2.582 -10.413 1.00 0.00 O ATOM 435 CB ILE A 877 -19.558 0.648 -8.024 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.335 1.356 -8.661 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.245 -0.797 -7.592 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.123 1.504 -7.739 1.00 0.00 C ATOM 0 H ILE A 877 -19.828 0.300 -10.786 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.634 0.205 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.801 1.226 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.033 0.799 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.641 2.347 -8.996 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.385 -0.798 -6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.108 -1.217 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.021 -1.399 -8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.319 2.010 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.402 2.089 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.783 0.518 -7.423 1.00 0.00 H new ATOM 450 N PRO A 878 -21.911 2.824 -8.516 1.00 0.00 N ATOM 451 CA PRO A 878 -22.066 4.264 -8.693 1.00 0.00 C ATOM 452 C PRO A 878 -20.751 5.007 -8.414 1.00 0.00 C ATOM 453 O PRO A 878 -19.934 4.601 -7.583 1.00 0.00 O ATOM 454 CB PRO A 878 -23.182 4.666 -7.723 1.00 0.00 C ATOM 455 CG PRO A 878 -23.026 3.658 -6.583 1.00 0.00 C ATOM 456 CD PRO A 878 -22.588 2.382 -7.303 1.00 0.00 C ATOM 0 HA PRO A 878 -22.323 4.528 -9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.063 5.692 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.165 4.600 -8.189 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.283 3.985 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.961 3.514 -6.042 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.921 1.789 -6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.446 1.753 -7.541 1.00 0.00 H new ATOM 464 N ALA A 879 -20.572 6.152 -9.073 1.00 0.00 N ATOM 465 CA ALA A 879 -19.415 7.039 -8.911 1.00 0.00 C ATOM 466 C ALA A 879 -19.153 7.498 -7.457 1.00 0.00 C ATOM 467 O ALA A 879 -18.013 7.784 -7.091 1.00 0.00 O ATOM 468 CB ALA A 879 -19.652 8.253 -9.814 1.00 0.00 C ATOM 0 H ALA A 879 -21.246 6.500 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.521 6.480 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.812 8.942 -9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.743 7.924 -10.849 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.569 8.758 -9.512 1.00 0.00 H new ATOM 474 N SER A 880 -20.179 7.501 -6.599 1.00 0.00 N ATOM 475 CA SER A 880 -20.042 7.793 -5.160 1.00 0.00 C ATOM 476 C SER A 880 -19.166 6.764 -4.427 1.00 0.00 C ATOM 477 O SER A 880 -18.550 7.094 -3.412 1.00 0.00 O ATOM 478 CB SER A 880 -21.418 7.855 -4.485 1.00 0.00 C ATOM 479 OG SER A 880 -22.199 8.920 -5.010 1.00 0.00 O ATOM 0 H SER A 880 -21.138 7.300 -6.882 1.00 0.00 H new ATOM 0 HA SER A 880 -19.549 8.763 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.941 6.910 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.293 7.987 -3.410 1.00 0.00 H new ATOM 0 HG SER A 880 -23.072 8.936 -4.564 1.00 0.00 H new ATOM 485 N VAL A 881 -19.061 5.536 -4.954 1.00 0.00 N ATOM 486 CA VAL A 881 -18.134 4.503 -4.463 1.00 0.00 C ATOM 487 C VAL A 881 -16.790 4.606 -5.169 1.00 0.00 C ATOM 488 O VAL A 881 -15.756 4.517 -4.509 1.00 0.00 O ATOM 489 CB VAL A 881 -18.750 3.090 -4.584 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.824 1.962 -4.113 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.035 2.984 -3.751 1.00 0.00 C ATOM 0 H VAL A 881 -19.625 5.226 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.959 4.678 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.940 2.965 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.330 1.003 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.912 1.967 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.571 2.113 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.452 1.982 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.807 3.179 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.761 3.716 -4.107 1.00 0.00 H new ATOM 501 N VAL A 882 -16.763 4.895 -6.474 1.00 0.00 N ATOM 502 CA VAL A 882 -15.477 5.006 -7.197 1.00 0.00 C ATOM 503 C VAL A 882 -14.631 6.202 -6.726 1.00 0.00 C ATOM 504 O VAL A 882 -13.408 6.192 -6.853 1.00 0.00 O ATOM 505 CB VAL A 882 -15.649 4.966 -8.732 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.699 6.339 -9.415 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.492 4.186 -9.373 1.00 0.00 C ATOM 0 H VAL A 882 -17.592 5.054 -7.047 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.909 4.114 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.616 4.486 -8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.821 6.206 -10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.540 6.911 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.771 6.877 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.623 4.164 -10.455 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.547 4.673 -9.132 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.483 3.166 -8.988 1.00 0.00 H new ATOM 517 N GLY A 883 -15.278 7.207 -6.123 1.00 0.00 N ATOM 518 CA GLY A 883 -14.628 8.348 -5.464 1.00 0.00 C ATOM 519 C GLY A 883 -14.150 8.064 -4.031 1.00 0.00 C ATOM 520 O GLY A 883 -13.309 8.797 -3.507 1.00 0.00 O ATOM 0 H GLY A 883 -16.296 7.251 -6.078 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.773 8.660 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.325 9.185 -5.442 1.00 0.00 H new ATOM 524 N SER A 884 -14.665 7.004 -3.395 1.00 0.00 N ATOM 525 CA SER A 884 -14.269 6.540 -2.055 1.00 0.00 C ATOM 526 C SER A 884 -13.133 5.506 -2.105 1.00 0.00 C ATOM 527 O SER A 884 -12.199 5.553 -1.298 1.00 0.00 O ATOM 528 CB SER A 884 -15.502 5.960 -1.347 1.00 0.00 C ATOM 529 OG SER A 884 -15.190 5.562 -0.023 1.00 0.00 O ATOM 0 H SER A 884 -15.394 6.425 -3.812 1.00 0.00 H new ATOM 0 HA SER A 884 -13.883 7.393 -1.496 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.298 6.704 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.879 5.105 -1.908 1.00 0.00 H new ATOM 0 HG SER A 884 -15.992 5.198 0.407 1.00 0.00 H new ATOM 535 N ILE A 885 -13.182 4.590 -3.078 1.00 0.00 N ATOM 536 CA ILE A 885 -12.172 3.548 -3.315 1.00 0.00 C ATOM 537 C ILE A 885 -10.903 4.176 -3.925 1.00 0.00 C ATOM 538 O ILE A 885 -10.928 4.748 -5.016 1.00 0.00 O ATOM 539 CB ILE A 885 -12.792 2.411 -4.173 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.587 1.378 -3.336 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.757 1.594 -4.960 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.661 1.959 -2.415 1.00 0.00 C ATOM 0 H ILE A 885 -13.952 4.551 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.859 3.090 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.447 2.957 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.062 0.673 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.882 0.809 -2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.265 0.820 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.214 2.252 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.056 1.130 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.155 1.150 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.198 2.640 -1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.396 2.501 -3.010 1.00 0.00 H new ATOM 603 N ARG A 890 -8.833 -1.853 -0.396 1.00 0.00 N ATOM 604 CA ARG A 890 -9.105 -3.301 -0.370 1.00 0.00 C ATOM 605 C ARG A 890 -10.584 -3.615 -0.630 1.00 0.00 C ATOM 606 O ARG A 890 -11.251 -4.294 0.153 1.00 0.00 O ATOM 607 CB ARG A 890 -8.518 -3.950 0.895 1.00 0.00 C ATOM 608 CG ARG A 890 -8.997 -3.343 2.227 1.00 0.00 C ATOM 609 CD ARG A 890 -8.392 -4.106 3.411 1.00 0.00 C ATOM 610 NE ARG A 890 -8.841 -3.545 4.701 1.00 0.00 N ATOM 611 CZ ARG A 890 -8.527 -3.989 5.905 1.00 0.00 C ATOM 612 NH1 ARG A 890 -7.745 -5.018 6.083 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -8.997 -3.402 6.968 1.00 0.00 N ATOM 0 HA ARG A 890 -8.582 -3.769 -1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.766 -5.011 0.888 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.431 -3.876 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.711 -2.293 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -10.085 -3.380 2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -8.675 -5.157 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.304 -4.066 3.354 1.00 0.00 H new ATOM 0 HE ARG A 890 -9.456 -2.732 4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -7.355 -5.507 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -7.524 -5.333 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -9.612 -2.594 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -8.750 -3.751 7.894 1.00 0.00 H new ATOM 627 N TRP A 891 -11.103 -3.094 -1.740 1.00 0.00 N ATOM 628 CA TRP A 891 -12.441 -3.447 -2.235 1.00 0.00 C ATOM 629 C TRP A 891 -12.418 -4.886 -2.767 1.00 0.00 C ATOM 630 O TRP A 891 -11.560 -5.224 -3.583 1.00 0.00 O ATOM 631 CB TRP A 891 -12.919 -2.473 -3.314 1.00 0.00 C ATOM 632 CG TRP A 891 -14.385 -2.555 -3.627 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.301 -1.690 -3.144 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.149 -3.539 -4.402 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.554 -2.006 -3.612 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.533 -3.176 -4.336 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.836 -4.715 -5.125 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.549 -3.949 -4.911 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.852 -5.506 -5.701 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.200 -5.131 -5.579 1.00 0.00 C ATOM 0 H TRP A 891 -10.613 -2.416 -2.324 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.149 -3.376 -1.409 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.685 -1.457 -2.996 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.355 -2.659 -4.228 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.081 -0.865 -2.483 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.390 -1.446 -3.445 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.803 -5.011 -5.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.582 -3.641 -4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.592 -6.405 -6.239 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.972 -5.757 -6.002 1.00 0.00 H new ATOM 651 N ILE A 892 -13.341 -5.738 -2.317 1.00 0.00 N ATOM 652 CA ILE A 892 -13.422 -7.151 -2.726 1.00 0.00 C ATOM 653 C ILE A 892 -14.870 -7.621 -2.908 1.00 0.00 C ATOM 654 O ILE A 892 -15.796 -7.006 -2.366 1.00 0.00 O ATOM 655 CB ILE A 892 -12.672 -8.061 -1.723 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.348 -8.057 -0.339 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.178 -7.704 -1.606 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.990 -9.276 0.510 1.00 0.00 C ATOM 0 H ILE A 892 -14.064 -5.468 -1.650 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.934 -7.229 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.729 -9.073 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.060 -7.152 0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.429 -8.019 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.699 -8.372 -0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.700 -7.813 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.076 -6.674 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.499 -9.212 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.303 -10.184 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.912 -9.304 0.671 1.00 0.00 H new ATOM 670 N CYS A 893 -15.067 -8.760 -3.578 1.00 0.00 N ATOM 671 CA CYS A 893 -16.368 -9.400 -3.729 1.00 0.00 C ATOM 672 C CYS A 893 -17.138 -9.520 -2.388 1.00 0.00 C ATOM 673 O CYS A 893 -18.318 -9.186 -2.338 1.00 0.00 O ATOM 674 CB CYS A 893 -16.214 -10.772 -4.405 1.00 0.00 C ATOM 675 SG CYS A 893 -15.132 -10.803 -5.879 1.00 0.00 S ATOM 0 H CYS A 893 -14.311 -9.268 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.970 -8.756 -4.370 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.822 -11.477 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.203 -11.129 -4.693 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.936 -10.417 -5.547 1.00 0.00 H new ATOM 680 N MET A 894 -16.501 -9.960 -1.291 1.00 0.00 N ATOM 681 CA MET A 894 -17.207 -10.172 -0.009 1.00 0.00 C ATOM 682 C MET A 894 -17.717 -8.871 0.647 1.00 0.00 C ATOM 683 O MET A 894 -18.553 -8.918 1.550 1.00 0.00 O ATOM 684 CB MET A 894 -16.337 -10.973 0.973 1.00 0.00 C ATOM 685 CG MET A 894 -15.894 -12.328 0.404 1.00 0.00 C ATOM 686 SD MET A 894 -14.916 -13.353 1.541 1.00 0.00 S ATOM 687 CE MET A 894 -16.192 -13.845 2.736 1.00 0.00 C ATOM 0 H MET A 894 -15.505 -10.176 -1.262 1.00 0.00 H new ATOM 0 HA MET A 894 -18.096 -10.752 -0.255 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.455 -10.387 1.232 1.00 0.00 H new ATOM 0 HB3 MET A 894 -16.894 -11.136 1.896 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.781 -12.887 0.105 1.00 0.00 H new ATOM 0 HG3 MET A 894 -15.309 -12.153 -0.499 1.00 0.00 H new ATOM 0 HE1 MET A 894 -15.784 -14.591 3.418 1.00 0.00 H new ATOM 0 HE2 MET A 894 -16.514 -12.972 3.304 1.00 0.00 H new ATOM 0 HE3 MET A 894 -17.045 -14.267 2.204 1.00 0.00 H new ATOM 697 N ASN A 895 -17.244 -7.707 0.180 1.00 0.00 N ATOM 698 CA ASN A 895 -17.707 -6.371 0.578 1.00 0.00 C ATOM 699 C ASN A 895 -18.799 -5.798 -0.361 1.00 0.00 C ATOM 700 O ASN A 895 -19.422 -4.786 -0.033 1.00 0.00 O ATOM 701 CB ASN A 895 -16.459 -5.466 0.723 1.00 0.00 C ATOM 702 CG ASN A 895 -16.438 -4.225 -0.158 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.524 -3.096 0.303 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.311 -4.396 -1.451 1.00 0.00 N ATOM 0 H ASN A 895 -16.497 -7.670 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.218 -6.426 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.380 -5.152 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.573 -6.061 0.501 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.284 -3.587 -2.072 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.239 -5.338 -1.836 1.00 0.00 H new ATOM 711 N ASN A 896 -19.014 -6.421 -1.526 1.00 0.00 N ATOM 712 CA ASN A 896 -19.903 -5.941 -2.591 1.00 0.00 C ATOM 713 C ASN A 896 -21.338 -5.677 -2.095 1.00 0.00 C ATOM 714 O ASN A 896 -21.947 -6.501 -1.408 1.00 0.00 O ATOM 715 CB ASN A 896 -19.896 -6.958 -3.754 1.00 0.00 C ATOM 716 CG ASN A 896 -20.740 -6.576 -4.959 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.121 -5.437 -5.174 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.083 -7.542 -5.777 1.00 0.00 N ATOM 0 H ASN A 896 -18.559 -7.303 -1.761 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.524 -4.980 -2.939 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.867 -7.101 -4.083 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.246 -7.919 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.666 -7.340 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.767 -8.496 -5.601 1.00 0.00 H new ATOM 725 N SER A 897 -21.890 -4.539 -2.518 1.00 0.00 N ATOM 726 CA SER A 897 -23.298 -4.164 -2.320 1.00 0.00 C ATOM 727 C SER A 897 -24.293 -5.169 -2.913 1.00 0.00 C ATOM 728 O SER A 897 -25.317 -5.477 -2.299 1.00 0.00 O ATOM 729 CB SER A 897 -23.558 -2.811 -2.989 1.00 0.00 C ATOM 730 OG SER A 897 -23.049 -1.746 -2.199 1.00 0.00 O ATOM 0 H SER A 897 -21.358 -3.830 -3.023 1.00 0.00 H new ATOM 0 HA SER A 897 -23.454 -4.134 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.092 -2.793 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.629 -2.676 -3.141 1.00 0.00 H new ATOM 0 HG SER A 897 -23.225 -0.893 -2.648 1.00 0.00 H new ATOM 736 N ASP A 898 -24.008 -5.673 -4.114 1.00 0.00 N ATOM 737 CA ASP A 898 -24.900 -6.572 -4.859 1.00 0.00 C ATOM 738 C ASP A 898 -24.710 -8.036 -4.443 1.00 0.00 C ATOM 739 O ASP A 898 -23.827 -8.748 -4.928 1.00 0.00 O ATOM 740 CB ASP A 898 -24.737 -6.404 -6.377 1.00 0.00 C ATOM 741 CG ASP A 898 -24.727 -4.942 -6.862 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.573 -4.132 -6.411 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.889 -4.619 -7.737 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.139 -5.467 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.921 -6.288 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.807 -6.882 -6.685 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.548 -6.934 -6.877 1.00 0.00 H new ATOM 748 N LYS A 899 -25.597 -8.506 -3.565 1.00 0.00 N ATOM 749 CA LYS A 899 -25.568 -9.827 -2.908 1.00 0.00 C ATOM 750 C LYS A 899 -25.615 -11.011 -3.886 1.00 0.00 C ATOM 751 O LYS A 899 -25.213 -12.118 -3.530 1.00 0.00 O ATOM 752 CB LYS A 899 -26.726 -9.916 -1.894 1.00 0.00 C ATOM 753 CG LYS A 899 -26.643 -8.881 -0.756 1.00 0.00 C ATOM 754 CD LYS A 899 -25.742 -9.371 0.380 1.00 0.00 C ATOM 755 CE LYS A 899 -26.469 -10.413 1.240 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.611 -10.908 2.349 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.401 -7.950 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.607 -9.907 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.670 -9.784 -2.423 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.740 -10.916 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.259 -7.939 -1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.643 -8.682 -0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.831 -9.805 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.440 -8.527 1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.378 -9.975 1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.774 -11.252 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -26.137 -11.610 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.755 -11.349 1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.340 -10.112 2.960 1.00 0.00 H new ATOM 770 N ARG A 900 -26.042 -10.766 -5.131 1.00 0.00 N ATOM 771 CA ARG A 900 -26.014 -11.727 -6.252 1.00 0.00 C ATOM 772 C ARG A 900 -24.594 -12.084 -6.714 1.00 0.00 C ATOM 773 O ARG A 900 -24.392 -13.160 -7.275 1.00 0.00 O ATOM 774 CB ARG A 900 -26.812 -11.135 -7.424 1.00 0.00 C ATOM 775 CG ARG A 900 -28.329 -11.199 -7.196 1.00 0.00 C ATOM 776 CD ARG A 900 -29.077 -10.608 -8.396 1.00 0.00 C ATOM 777 NE ARG A 900 -30.540 -10.654 -8.197 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.464 -10.225 -9.039 1.00 0.00 C ATOM 779 NH1 ARG A 900 -31.162 -9.692 -10.190 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.727 -10.325 -8.737 1.00 0.00 N ATOM 0 H ARG A 900 -26.431 -9.862 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.461 -12.657 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.514 -10.097 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.562 -11.674 -8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.636 -12.233 -7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.590 -10.651 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.762 -9.576 -8.550 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.814 -11.160 -9.298 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.871 -11.058 -7.321 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.185 -9.595 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.903 -9.372 -10.814 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -33.007 -10.736 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.436 -9.992 -9.391 1.00 0.00 H new ATOM 794 N PHE A 901 -23.620 -11.202 -6.468 1.00 0.00 N ATOM 795 CA PHE A 901 -22.230 -11.323 -6.946 1.00 0.00 C ATOM 796 C PHE A 901 -21.170 -11.080 -5.852 1.00 0.00 C ATOM 797 O PHE A 901 -19.996 -10.849 -6.154 1.00 0.00 O ATOM 798 CB PHE A 901 -21.994 -10.397 -8.157 1.00 0.00 C ATOM 799 CG PHE A 901 -23.102 -10.306 -9.200 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.201 -9.453 -8.975 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.018 -10.999 -10.423 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.220 -9.333 -9.936 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.036 -10.883 -11.385 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.145 -10.057 -11.137 1.00 0.00 C ATOM 0 H PHE A 901 -23.776 -10.359 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.104 -12.361 -7.253 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.804 -9.392 -7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.085 -10.726 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.261 -8.887 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.162 -11.626 -10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.062 -8.683 -9.750 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.966 -11.429 -12.314 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.937 -9.979 -11.867 1.00 0.00 H new ATOM 814 N ALA A 902 -21.586 -11.083 -4.587 1.00 0.00 N ATOM 815 CA ALA A 902 -20.820 -10.675 -3.408 1.00 0.00 C ATOM 816 C ALA A 902 -20.031 -11.814 -2.732 1.00 0.00 C ATOM 817 O ALA A 902 -19.949 -11.904 -1.506 1.00 0.00 O ATOM 818 CB ALA A 902 -21.760 -9.934 -2.444 1.00 0.00 C ATOM 0 H ALA A 902 -22.527 -11.390 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.032 -9.998 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.203 -9.623 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.172 -9.055 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.573 -10.597 -2.147 1.00 0.00 H new ATOM 824 N ASP A 903 -19.435 -12.683 -3.544 1.00 0.00 N ATOM 825 CA ASP A 903 -18.463 -13.696 -3.127 1.00 0.00 C ATOM 826 C ASP A 903 -17.359 -13.838 -4.167 1.00 0.00 C ATOM 827 O ASP A 903 -17.610 -13.744 -5.368 1.00 0.00 O ATOM 828 CB ASP A 903 -19.143 -15.045 -2.843 1.00 0.00 C ATOM 829 CG ASP A 903 -19.904 -15.092 -1.505 1.00 0.00 C ATOM 830 OD1 ASP A 903 -21.141 -15.310 -1.515 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.254 -14.997 -0.436 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.621 -12.704 -4.547 1.00 0.00 H new ATOM 0 HA ASP A 903 -18.008 -13.363 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.838 -15.268 -3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.387 -15.830 -2.847 1.00 0.00 H new ATOM 836 N CYS A 904 -16.143 -14.132 -3.703 1.00 0.00 N ATOM 837 CA CYS A 904 -14.979 -14.381 -4.545 1.00 0.00 C ATOM 838 C CYS A 904 -15.163 -15.606 -5.488 1.00 0.00 C ATOM 839 O CYS A 904 -14.358 -15.825 -6.398 1.00 0.00 O ATOM 840 CB CYS A 904 -13.776 -14.478 -3.593 1.00 0.00 C ATOM 841 SG CYS A 904 -13.377 -12.820 -2.909 1.00 0.00 S ATOM 0 H CYS A 904 -15.939 -14.205 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.819 -13.568 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.999 -15.171 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.913 -14.878 -4.125 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.360 -12.916 -2.105 1.00 0.00 H new ATOM 846 N SER A 905 -16.230 -16.386 -5.274 1.00 0.00 N ATOM 847 CA SER A 905 -16.645 -17.503 -6.129 1.00 0.00 C ATOM 848 C SER A 905 -17.678 -17.104 -7.200 1.00 0.00 C ATOM 849 O SER A 905 -17.904 -17.869 -8.141 1.00 0.00 O ATOM 850 CB SER A 905 -17.228 -18.635 -5.276 1.00 0.00 C ATOM 851 OG SER A 905 -16.300 -19.063 -4.289 1.00 0.00 O ATOM 0 H SER A 905 -16.848 -16.252 -4.474 1.00 0.00 H new ATOM 0 HA SER A 905 -15.746 -17.833 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.145 -18.296 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.496 -19.476 -5.916 1.00 0.00 H new ATOM 0 HG SER A 905 -16.697 -19.784 -3.758 1.00 0.00 H new ATOM 857 N LYS A 906 -18.344 -15.943 -7.058 1.00 0.00 N ATOM 858 CA LYS A 906 -19.399 -15.472 -7.980 1.00 0.00 C ATOM 859 C LYS A 906 -18.875 -14.842 -9.283 1.00 0.00 C ATOM 860 O LYS A 906 -17.674 -14.689 -9.514 1.00 0.00 O ATOM 861 CB LYS A 906 -20.326 -14.482 -7.255 1.00 0.00 C ATOM 862 CG LYS A 906 -21.310 -15.066 -6.231 1.00 0.00 C ATOM 863 CD LYS A 906 -22.478 -15.877 -6.823 1.00 0.00 C ATOM 864 CE LYS A 906 -22.171 -17.378 -6.942 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.348 -18.136 -7.444 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.164 -15.296 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 906 -19.947 -16.364 -8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.703 -13.747 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -20.901 -13.944 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.756 -15.707 -5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.721 -14.247 -5.640 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.360 -15.741 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.723 -15.483 -7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.327 -17.526 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.874 -17.768 -5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.107 -19.145 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.145 -18.014 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.616 -17.779 -8.384 1.00 0.00 H new ATOM 879 N SER A 907 -19.838 -14.480 -10.130 1.00 0.00 N ATOM 880 CA SER A 907 -19.715 -13.960 -11.490 1.00 0.00 C ATOM 881 C SER A 907 -19.798 -12.422 -11.560 1.00 0.00 C ATOM 882 O SER A 907 -19.684 -11.734 -10.542 1.00 0.00 O ATOM 883 CB SER A 907 -20.846 -14.628 -12.283 1.00 0.00 C ATOM 884 OG SER A 907 -22.109 -14.164 -11.834 1.00 0.00 O ATOM 0 H SER A 907 -20.817 -14.551 -9.854 1.00 0.00 H new ATOM 0 HA SER A 907 -18.733 -14.191 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 907 -20.730 -14.413 -13.345 1.00 0.00 H new ATOM 0 HB3 SER A 907 -20.788 -15.710 -12.169 1.00 0.00 H new ATOM 0 HG SER A 907 -22.820 -14.598 -12.351 1.00 0.00 H new ATOM 890 N GLN A 908 -20.005 -11.866 -12.758 1.00 0.00 N ATOM 891 CA GLN A 908 -20.255 -10.439 -13.019 1.00 0.00 C ATOM 892 C GLN A 908 -21.136 -10.247 -14.273 1.00 0.00 C ATOM 893 O GLN A 908 -21.339 -11.184 -15.045 1.00 0.00 O ATOM 894 CB GLN A 908 -18.915 -9.685 -13.107 1.00 0.00 C ATOM 895 CG GLN A 908 -18.140 -10.017 -14.388 1.00 0.00 C ATOM 896 CD GLN A 908 -16.631 -9.786 -14.320 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.956 -10.012 -13.327 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.038 -9.379 -15.415 1.00 0.00 N ATOM 0 H GLN A 908 -20.003 -12.421 -13.614 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.818 -10.012 -12.189 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -19.102 -8.612 -13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.303 -9.935 -12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.319 -11.062 -14.640 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.546 -9.418 -15.203 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.589 -9.186 -16.252 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.026 -9.255 -15.431 1.00 0.00 H new ATOM 907 N GLU A 909 -21.652 -9.029 -14.479 1.00 0.00 N ATOM 908 CA GLU A 909 -22.583 -8.702 -15.584 1.00 0.00 C ATOM 909 C GLU A 909 -22.033 -9.022 -16.995 1.00 0.00 C ATOM 910 O GLU A 909 -22.796 -9.426 -17.876 1.00 0.00 O ATOM 911 CB GLU A 909 -22.943 -7.203 -15.570 1.00 0.00 C ATOM 912 CG GLU A 909 -23.399 -6.578 -14.244 1.00 0.00 C ATOM 913 CD GLU A 909 -24.672 -7.189 -13.626 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.528 -7.754 -14.346 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.812 -7.073 -12.385 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.438 -8.230 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.453 -9.334 -15.402 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.071 -6.648 -15.917 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.734 -7.044 -16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.587 -6.667 -13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.569 -5.513 -14.404 1.00 0.00 H new ATOM 922 N MET A 910 -20.719 -8.855 -17.205 1.00 0.00 N ATOM 923 CA MET A 910 -20.023 -9.048 -18.496 1.00 0.00 C ATOM 924 C MET A 910 -18.600 -9.577 -18.286 1.00 0.00 C ATOM 925 O MET A 910 -17.876 -9.036 -17.455 1.00 0.00 O ATOM 926 CB MET A 910 -19.909 -7.723 -19.275 1.00 0.00 C ATOM 927 CG MET A 910 -21.232 -7.142 -19.790 1.00 0.00 C ATOM 928 SD MET A 910 -21.987 -5.886 -18.720 1.00 0.00 S ATOM 929 CE MET A 910 -23.511 -5.575 -19.651 1.00 0.00 C ATOM 0 H MET A 910 -20.085 -8.572 -16.458 1.00 0.00 H new ATOM 0 HA MET A 910 -20.617 -9.768 -19.059 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.434 -6.983 -18.631 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.245 -7.878 -20.126 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.061 -6.704 -20.773 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.942 -7.958 -19.924 1.00 0.00 H new ATOM 0 HE1 MET A 910 -24.105 -4.821 -19.135 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.261 -5.218 -20.650 1.00 0.00 H new ATOM 0 HE3 MET A 910 -24.085 -6.498 -19.729 1.00 0.00 H new ATOM 939 N SER A 911 -18.153 -10.580 -19.048 1.00 0.00 N ATOM 940 CA SER A 911 -16.772 -11.098 -18.965 1.00 0.00 C ATOM 941 C SER A 911 -15.729 -10.073 -19.398 1.00 0.00 C ATOM 942 O SER A 911 -16.032 -9.083 -20.059 1.00 0.00 O ATOM 943 CB SER A 911 -16.588 -12.385 -19.775 1.00 0.00 C ATOM 944 OG SER A 911 -17.213 -12.302 -21.046 1.00 0.00 O ATOM 0 H SER A 911 -18.731 -11.058 -19.739 1.00 0.00 H new ATOM 0 HA SER A 911 -16.613 -11.320 -17.910 1.00 0.00 H new ATOM 0 HB2 SER A 911 -15.524 -12.583 -19.905 1.00 0.00 H new ATOM 0 HB3 SER A 911 -17.003 -13.226 -19.220 1.00 0.00 H new ATOM 0 HG SER A 911 -17.073 -13.140 -21.535 1.00 0.00 H new ATOM 950 N ASN A 912 -14.474 -10.308 -19.013 1.00 0.00 N ATOM 951 CA ASN A 912 -13.404 -9.301 -19.146 1.00 0.00 C ATOM 952 C ASN A 912 -13.061 -8.969 -20.608 1.00 0.00 C ATOM 953 O ASN A 912 -12.579 -7.871 -20.862 1.00 0.00 O ATOM 954 CB ASN A 912 -12.145 -9.706 -18.347 1.00 0.00 C ATOM 955 CG ASN A 912 -12.357 -9.976 -16.869 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.440 -9.875 -16.322 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.309 -10.295 -16.151 1.00 0.00 N ATOM 0 H ASN A 912 -14.166 -11.190 -18.604 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.798 -8.382 -18.713 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.721 -10.601 -18.803 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.403 -8.914 -18.449 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.407 -10.455 -15.148 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.395 -10.384 -16.594 1.00 0.00 H new ATOM 964 N GLU A 913 -13.357 -9.860 -21.560 1.00 0.00 N ATOM 965 CA GLU A 913 -13.270 -9.606 -23.011 1.00 0.00 C ATOM 966 C GLU A 913 -14.453 -8.782 -23.577 1.00 0.00 C ATOM 967 O GLU A 913 -14.454 -8.416 -24.753 1.00 0.00 O ATOM 968 CB GLU A 913 -13.117 -10.942 -23.762 1.00 0.00 C ATOM 969 CG GLU A 913 -14.358 -11.852 -23.680 1.00 0.00 C ATOM 970 CD GLU A 913 -14.141 -13.229 -24.350 1.00 0.00 C ATOM 971 OE1 GLU A 913 -14.649 -14.248 -23.820 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.496 -13.314 -25.425 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.673 -10.805 -21.342 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.387 -8.987 -23.170 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.899 -10.735 -24.810 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.258 -11.478 -23.358 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.624 -12.001 -22.634 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -15.201 -11.351 -24.156 1.00 0.00 H new ATOM 979 N GLU A 914 -15.466 -8.488 -22.756 1.00 0.00 N ATOM 980 CA GLU A 914 -16.578 -7.575 -23.050 1.00 0.00 C ATOM 981 C GLU A 914 -16.463 -6.275 -22.233 1.00 0.00 C ATOM 982 O GLU A 914 -16.558 -5.187 -22.802 1.00 0.00 O ATOM 983 CB GLU A 914 -17.923 -8.272 -22.787 1.00 0.00 C ATOM 984 CG GLU A 914 -18.161 -9.490 -23.692 1.00 0.00 C ATOM 985 CD GLU A 914 -19.583 -10.082 -23.550 1.00 0.00 C ATOM 986 OE1 GLU A 914 -20.185 -10.039 -22.448 1.00 0.00 O ATOM 987 OE2 GLU A 914 -20.114 -10.615 -24.558 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.538 -8.898 -21.825 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.528 -7.305 -24.105 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.963 -8.589 -21.745 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.731 -7.555 -22.934 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.996 -9.202 -24.730 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.428 -10.261 -23.455 1.00 0.00 H new ATOM 994 N ILE A 915 -16.166 -6.352 -20.925 1.00 0.00 N ATOM 995 CA ILE A 915 -15.916 -5.174 -20.067 1.00 0.00 C ATOM 996 C ILE A 915 -14.512 -4.547 -20.203 1.00 0.00 C ATOM 997 O ILE A 915 -14.053 -3.729 -19.410 1.00 0.00 O ATOM 998 CB ILE A 915 -16.372 -5.403 -18.618 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.381 -4.112 -17.772 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.563 -6.460 -17.853 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.852 -2.864 -18.534 1.00 0.00 C ATOM 0 H ILE A 915 -16.091 -7.239 -20.426 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.560 -4.391 -20.466 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.389 -5.772 -18.746 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -17.028 -4.262 -16.907 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.376 -3.934 -17.391 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.955 -6.555 -16.840 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.642 -7.419 -18.364 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.517 -6.157 -17.811 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.829 -2.001 -17.869 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.192 -2.685 -19.383 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.870 -3.019 -18.892 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.818 -4.918 -21.254 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.728 -4.115 -21.832 1.00 0.00 C ATOM 1015 C ASN A 916 -13.116 -3.456 -23.175 1.00 0.00 C ATOM 1016 O ASN A 916 -12.763 -2.302 -23.421 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.419 -4.935 -21.866 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.376 -6.091 -22.861 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.330 -6.417 -23.549 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.250 -6.756 -22.986 1.00 0.00 N ATOM 0 H ASN A 916 -13.985 -5.794 -21.749 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.539 -3.263 -21.179 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.596 -4.257 -22.092 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.239 -5.335 -20.868 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.185 -7.529 -23.649 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.441 -6.500 -22.420 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.912 -4.133 -24.002 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.439 -3.638 -25.281 1.00 0.00 C ATOM 1029 C GLU A 917 -15.450 -2.493 -25.124 1.00 0.00 C ATOM 1030 O GLU A 917 -15.495 -1.594 -25.965 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.101 -4.800 -26.031 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.115 -5.641 -26.857 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.458 -4.864 -28.022 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.171 -4.178 -28.794 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.218 -4.953 -28.192 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.223 -5.082 -23.794 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.594 -3.235 -25.840 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.603 -5.447 -25.311 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.870 -4.403 -26.693 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.333 -6.019 -26.198 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.639 -6.507 -27.260 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.236 -2.487 -24.042 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.222 -1.430 -23.755 1.00 0.00 C ATOM 1044 C GLU A 918 -16.576 -0.036 -23.633 1.00 0.00 C ATOM 1045 O GLU A 918 -17.202 0.973 -23.967 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.989 -1.762 -22.459 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.330 -1.014 -22.329 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.313 -1.298 -23.489 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.532 -2.482 -23.843 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.887 -0.336 -24.053 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.208 -3.220 -23.333 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.910 -1.397 -24.599 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.176 -2.835 -22.422 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.361 -1.518 -21.602 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.802 -1.293 -21.387 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.136 0.058 -22.283 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.316 0.014 -23.178 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.525 1.243 -23.041 1.00 0.00 C ATOM 1059 C LEU A 919 -13.469 1.402 -24.152 1.00 0.00 C ATOM 1060 O LEU A 919 -13.131 2.524 -24.532 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.847 1.281 -21.660 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.794 1.000 -20.475 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.596 -0.427 -19.974 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.534 1.978 -19.348 1.00 0.00 C ATOM 0 H LEU A 919 -14.807 -0.821 -22.888 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.217 2.079 -23.139 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.040 0.549 -21.645 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.391 2.261 -21.520 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.822 1.121 -20.817 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.269 -0.616 -19.138 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.813 -1.129 -20.779 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.565 -0.558 -19.647 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.210 1.767 -18.520 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.503 1.877 -19.010 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.702 2.995 -19.703 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.947 0.281 -24.665 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.883 0.226 -25.678 1.00 0.00 C ATOM 1078 C GLY A 920 -10.474 0.153 -25.075 1.00 0.00 C ATOM 1079 O GLY A 920 -9.538 0.753 -25.609 1.00 0.00 O ATOM 0 H GLY A 920 -13.264 -0.645 -24.377 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.043 -0.643 -26.316 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -11.952 1.107 -26.316 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.333 -0.535 -23.936 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.114 -0.606 -23.110 1.00 0.00 C ATOM 1085 C ILE A 921 -8.409 -1.972 -23.202 1.00 0.00 C ATOM 1086 O ILE A 921 -8.963 -2.956 -23.696 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.430 -0.207 -21.649 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.438 -1.183 -21.004 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.893 1.261 -21.585 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.633 -0.962 -19.502 1.00 0.00 C ATOM 0 H ILE A 921 -11.098 -1.084 -23.544 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.402 0.115 -23.512 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.517 -0.284 -21.058 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.401 -1.081 -21.505 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.098 -2.205 -21.171 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.112 1.529 -20.551 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.104 1.908 -21.968 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.791 1.386 -22.190 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.354 -1.684 -19.119 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.681 -1.093 -18.988 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.003 0.048 -19.328 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.316 3.002 -16.327 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.556 3.784 -16.151 1.00 0.00 C ATOM 1264 C GLN B 5 -16.370 3.930 -17.451 1.00 0.00 C ATOM 1265 O GLN B 5 -16.078 4.767 -18.307 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.226 5.126 -15.478 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.254 6.047 -16.240 1.00 0.00 C ATOM 1268 CD GLN B 5 -14.889 7.399 -16.547 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -14.762 8.342 -15.784 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -15.598 7.540 -17.645 1.00 0.00 N ATOM 0 HA GLN B 5 -16.221 3.231 -15.488 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.158 5.668 -15.319 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.804 4.921 -14.494 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.351 6.194 -15.648 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -13.950 5.567 -17.170 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -15.707 6.754 -18.286 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -16.039 8.435 -17.856 1.00 0.00 H new ATOM 1279 N THR B 6 -17.383 3.074 -17.619 1.00 0.00 N ATOM 1280 CA THR B 6 -18.094 2.863 -18.895 1.00 0.00 C ATOM 1281 C THR B 6 -18.910 4.061 -19.377 1.00 0.00 C ATOM 1282 O THR B 6 -18.836 4.393 -20.561 1.00 0.00 O ATOM 1283 CB THR B 6 -19.002 1.621 -18.815 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.496 1.399 -17.507 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.232 0.361 -19.181 1.00 0.00 C ATOM 0 H THR B 6 -17.743 2.495 -16.860 1.00 0.00 H new ATOM 0 HA THR B 6 -17.306 2.714 -19.633 1.00 0.00 H new ATOM 0 HB THR B 6 -19.821 1.817 -19.507 1.00 0.00 H new ATOM 0 HG1 THR B 6 -20.291 0.828 -17.550 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.895 -0.502 -19.117 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.850 0.451 -20.198 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.399 0.230 -18.491 1.00 0.00 H new