USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 908 GLN : amide:sc= 1.06 K(o=2.4,f=0.077) USER MOD Set 1.2: A 912 ASN : amide:sc= 1.3 K(o=2.4,f=-1.7) USER MOD Set 2.1: A 868 CYS SG : rot -153:sc= 2 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.02 USER MOD Set 2.3: A 893 CYS SG : rot 69:sc= -2.43! USER MOD Set 2.4: A 904 CYS SG : rot 180:sc= 0.0414 USER MOD Single : A 863 SER OG : rot 34:sc= 0.146 USER MOD Single : A 873 LYS NZ :NH3+ -146:sc= 1.31 (180deg=1.18) 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 176:sc= 0 (180deg=-0.0388) USER MOD Single : A 895 ASN : amide:sc= 2.01 K(o=2,f=-0.014) USER MOD Single : A 896 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.084) 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= 0.33 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= -0.132 K(o=-0.13,f=-4.9!) USER MOD Single : B 5 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.047) USER MOD Single : B 6 THR OG1 : rot 45:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.429 7.395 -12.618 1.00 0.00 N ATOM 189 CA SER A 863 -20.604 5.986 -12.205 1.00 0.00 C ATOM 190 C SER A 863 -19.835 4.965 -13.048 1.00 0.00 C ATOM 191 O SER A 863 -19.821 5.021 -14.282 1.00 0.00 O ATOM 192 CB SER A 863 -22.091 5.644 -12.182 1.00 0.00 C ATOM 193 OG SER A 863 -22.723 6.520 -11.258 1.00 0.00 O ATOM 0 HA SER A 863 -20.171 5.910 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.525 5.759 -13.175 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.240 4.605 -11.887 1.00 0.00 H new ATOM 0 HG SER A 863 -22.280 7.394 -11.281 1.00 0.00 H new ATOM 199 N ALA A 864 -19.167 4.040 -12.358 1.00 0.00 N ATOM 200 CA ALA A 864 -17.979 3.355 -12.871 1.00 0.00 C ATOM 201 C ALA A 864 -17.930 1.876 -12.470 1.00 0.00 C ATOM 202 O ALA A 864 -18.847 1.361 -11.840 1.00 0.00 O ATOM 203 CB ALA A 864 -16.743 4.105 -12.351 1.00 0.00 C ATOM 0 H ALA A 864 -19.437 3.743 -11.420 1.00 0.00 H new ATOM 0 HA ALA A 864 -18.008 3.365 -13.961 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.840 3.617 -12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.767 5.136 -12.705 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.744 4.096 -11.261 1.00 0.00 H new ATOM 209 N TRP A 865 -16.857 1.177 -12.823 1.00 0.00 N ATOM 210 CA TRP A 865 -16.596 -0.171 -12.303 1.00 0.00 C ATOM 211 C TRP A 865 -15.664 -0.141 -11.082 1.00 0.00 C ATOM 212 O TRP A 865 -15.178 0.910 -10.660 1.00 0.00 O ATOM 213 CB TRP A 865 -16.071 -1.032 -13.453 1.00 0.00 C ATOM 214 CG TRP A 865 -17.054 -1.230 -14.570 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.329 -0.337 -15.547 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.932 -2.369 -14.817 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.329 -0.827 -16.364 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.734 -2.087 -15.964 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.089 -3.636 -14.215 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.635 -3.026 -16.489 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.990 -4.586 -14.731 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.760 -4.280 -15.863 1.00 0.00 C ATOM 0 H TRP A 865 -16.147 1.519 -13.470 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.518 -0.618 -11.931 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.169 -0.571 -13.855 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.783 -2.007 -13.060 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.839 0.618 -15.670 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.719 -0.324 -17.161 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.505 -3.882 -13.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.225 -2.789 -17.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -19.089 -5.551 -14.255 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.452 -5.010 -16.256 1.00 0.00 H new ATOM 233 N VAL A 866 -15.426 -1.324 -10.515 1.00 0.00 N ATOM 234 CA VAL A 866 -14.366 -1.616 -9.541 1.00 0.00 C ATOM 235 C VAL A 866 -13.854 -3.046 -9.732 1.00 0.00 C ATOM 236 O VAL A 866 -14.639 -3.947 -10.036 1.00 0.00 O ATOM 237 CB VAL A 866 -14.846 -1.334 -8.109 1.00 0.00 C ATOM 238 CG1 VAL A 866 -16.041 -2.194 -7.692 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.724 -1.520 -7.085 1.00 0.00 C ATOM 0 H VAL A 866 -15.992 -2.145 -10.730 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.521 -0.950 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.164 -0.292 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.330 -1.945 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.879 -2.003 -8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.767 -3.248 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.105 -1.311 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.360 -2.546 -7.127 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.907 -0.835 -7.312 1.00 0.00 H new ATOM 249 N ARG A 867 -12.534 -3.246 -9.597 1.00 0.00 N ATOM 250 CA ARG A 867 -11.891 -4.571 -9.561 1.00 0.00 C ATOM 251 C ARG A 867 -11.820 -5.080 -8.124 1.00 0.00 C ATOM 252 O ARG A 867 -11.540 -4.297 -7.214 1.00 0.00 O ATOM 253 CB ARG A 867 -10.463 -4.524 -10.149 1.00 0.00 C ATOM 254 CG ARG A 867 -10.159 -5.720 -11.063 1.00 0.00 C ATOM 255 CD ARG A 867 -8.699 -5.725 -11.542 1.00 0.00 C ATOM 256 NE ARG A 867 -7.856 -6.605 -10.694 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.810 -7.323 -11.058 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.359 -7.390 -12.266 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.175 -8.068 -10.204 1.00 0.00 N ATOM 0 H ARG A 867 -11.870 -2.477 -9.508 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.495 -5.245 -10.168 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.337 -3.600 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.739 -4.502 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.368 -6.647 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.823 -5.694 -11.927 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.655 -6.063 -12.577 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.304 -4.709 -11.521 1.00 0.00 H new ATOM 0 HE ARG A 867 -8.117 -6.662 -9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.818 -6.866 -13.011 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.544 -7.967 -12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.483 -8.106 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.369 -8.615 -10.505 1.00 0.00 H new ATOM 273 N CYS A 868 -11.950 -6.385 -7.934 1.00 0.00 N ATOM 274 CA CYS A 868 -11.540 -7.031 -6.700 1.00 0.00 C ATOM 275 C CYS A 868 -10.004 -6.946 -6.515 1.00 0.00 C ATOM 276 O CYS A 868 -9.228 -7.347 -7.388 1.00 0.00 O ATOM 277 CB CYS A 868 -12.092 -8.453 -6.735 1.00 0.00 C ATOM 278 SG CYS A 868 -11.793 -9.328 -5.167 1.00 0.00 S ATOM 0 H CYS A 868 -12.341 -7.022 -8.629 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.945 -6.527 -5.822 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.163 -8.423 -6.937 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.628 -9.004 -7.554 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.743 -10.608 -5.387 1.00 0.00 H new ATOM 283 N ASP A 869 -9.580 -6.422 -5.366 1.00 0.00 N ATOM 284 CA ASP A 869 -8.198 -6.426 -4.879 1.00 0.00 C ATOM 285 C ASP A 869 -7.736 -7.793 -4.324 1.00 0.00 C ATOM 286 O ASP A 869 -6.570 -7.930 -3.944 1.00 0.00 O ATOM 287 CB ASP A 869 -8.046 -5.320 -3.818 1.00 0.00 C ATOM 288 CG ASP A 869 -8.033 -3.909 -4.436 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.857 -3.045 -4.055 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.167 -3.632 -5.300 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.219 -5.961 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.548 -6.231 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.865 -5.392 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.122 -5.478 -3.262 1.00 0.00 H new ATOM 295 N ASP A 870 -8.612 -8.808 -4.282 1.00 0.00 N ATOM 296 CA ASP A 870 -8.287 -10.162 -3.798 1.00 0.00 C ATOM 297 C ASP A 870 -8.317 -11.214 -4.928 1.00 0.00 C ATOM 298 O ASP A 870 -7.528 -12.164 -4.906 1.00 0.00 O ATOM 299 CB ASP A 870 -9.221 -10.542 -2.636 1.00 0.00 C ATOM 300 CG ASP A 870 -8.785 -11.815 -1.879 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.670 -12.591 -1.445 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.569 -12.020 -1.645 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.581 -8.712 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.261 -10.150 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.268 -9.710 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.229 -10.689 -3.025 1.00 0.00 H new ATOM 307 N CYS A 871 -9.154 -11.001 -5.953 1.00 0.00 N ATOM 308 CA CYS A 871 -9.040 -11.624 -7.264 1.00 0.00 C ATOM 309 C CYS A 871 -8.822 -10.561 -8.380 1.00 0.00 C ATOM 310 O CYS A 871 -7.766 -9.924 -8.455 1.00 0.00 O ATOM 311 CB CYS A 871 -10.163 -12.689 -7.449 1.00 0.00 C ATOM 312 SG CYS A 871 -11.877 -12.117 -7.795 1.00 0.00 S ATOM 0 H CYS A 871 -9.952 -10.369 -5.883 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.129 -12.215 -7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.863 -13.347 -8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.194 -13.297 -6.545 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.661 -13.146 -7.918 1.00 0.00 H new ATOM 317 N PHE A 872 -9.817 -10.410 -9.249 1.00 0.00 N ATOM 318 CA PHE A 872 -9.797 -9.638 -10.504 1.00 0.00 C ATOM 319 C PHE A 872 -11.163 -9.449 -11.200 1.00 0.00 C ATOM 320 O PHE A 872 -11.258 -8.759 -12.218 1.00 0.00 O ATOM 321 CB PHE A 872 -8.824 -10.303 -11.483 1.00 0.00 C ATOM 322 CG PHE A 872 -8.928 -11.818 -11.580 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.019 -12.418 -12.241 1.00 0.00 C ATOM 324 CD2 PHE A 872 -7.949 -12.631 -10.976 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.132 -13.820 -12.290 1.00 0.00 C ATOM 326 CE2 PHE A 872 -8.064 -14.032 -11.023 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.155 -14.628 -11.680 1.00 0.00 C ATOM 0 H PHE A 872 -10.723 -10.850 -9.092 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.481 -8.635 -10.218 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.988 -9.881 -12.474 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.807 -10.044 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.770 -11.800 -12.711 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -7.107 -12.177 -10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.970 -14.276 -12.796 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -7.313 -14.651 -10.554 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.243 -15.704 -11.716 1.00 0.00 H new ATOM 337 N LYS A 873 -12.228 -10.056 -10.672 1.00 0.00 N ATOM 338 CA LYS A 873 -13.629 -9.834 -11.064 1.00 0.00 C ATOM 339 C LYS A 873 -14.005 -8.350 -11.019 1.00 0.00 C ATOM 340 O LYS A 873 -13.495 -7.602 -10.182 1.00 0.00 O ATOM 341 CB LYS A 873 -14.518 -10.654 -10.128 1.00 0.00 C ATOM 342 CG LYS A 873 -15.929 -10.912 -10.668 1.00 0.00 C ATOM 343 CD LYS A 873 -16.983 -10.079 -9.942 1.00 0.00 C ATOM 344 CE LYS A 873 -17.245 -10.681 -8.560 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.045 -11.929 -8.605 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.138 -10.747 -9.927 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.771 -10.155 -12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.035 -11.611 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.596 -10.136 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.957 -10.682 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -16.169 -11.970 -10.564 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.643 -9.048 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.906 -10.056 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.291 -10.887 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.764 -9.947 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.656 -11.980 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.634 -11.933 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.407 -12.750 -8.620 1.00 0.00 H new ATOM 359 N TRP A 874 -14.929 -7.953 -11.891 1.00 0.00 N ATOM 360 CA TRP A 874 -15.424 -6.578 -11.997 1.00 0.00 C ATOM 361 C TRP A 874 -16.886 -6.436 -11.549 1.00 0.00 C ATOM 362 O TRP A 874 -17.677 -7.367 -11.703 1.00 0.00 O ATOM 363 CB TRP A 874 -15.246 -6.070 -13.436 1.00 0.00 C ATOM 364 CG TRP A 874 -13.853 -6.092 -13.989 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.332 -7.016 -14.828 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.784 -5.129 -13.765 1.00 0.00 C ATOM 367 NE1 TRP A 874 -12.019 -6.694 -15.125 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.622 -5.551 -14.479 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.692 -3.915 -13.058 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.432 -4.809 -14.496 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.493 -3.183 -13.048 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.366 -3.614 -13.764 1.00 0.00 C ATOM 0 H TRP A 874 -15.365 -8.589 -12.558 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.832 -5.966 -11.317 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.881 -6.668 -14.089 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.615 -5.045 -13.484 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.861 -7.877 -15.209 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.421 -7.239 -15.747 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.551 -3.543 -12.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.580 -5.152 -15.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.438 -2.268 -12.477 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.457 -3.032 -13.752 1.00 0.00 H new ATOM 383 N ARG A 875 -17.261 -5.251 -11.047 1.00 0.00 N ATOM 384 CA ARG A 875 -18.634 -4.882 -10.645 1.00 0.00 C ATOM 385 C ARG A 875 -18.902 -3.415 -10.979 1.00 0.00 C ATOM 386 O ARG A 875 -18.038 -2.577 -10.730 1.00 0.00 O ATOM 387 CB ARG A 875 -18.830 -5.096 -9.129 1.00 0.00 C ATOM 388 CG ARG A 875 -18.898 -6.562 -8.667 1.00 0.00 C ATOM 389 CD ARG A 875 -20.010 -7.394 -9.317 1.00 0.00 C ATOM 390 NE ARG A 875 -21.342 -6.747 -9.248 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.328 -6.924 -10.110 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.233 -7.740 -11.112 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.455 -6.296 -10.016 1.00 0.00 N ATOM 0 H ARG A 875 -16.595 -4.492 -10.903 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.331 -5.517 -11.191 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -18.011 -4.606 -8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.749 -4.595 -8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.940 -7.038 -8.875 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.035 -6.581 -7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.755 -7.576 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.060 -8.367 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.512 -6.111 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.375 -8.273 -11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.016 -7.850 -11.756 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.608 -5.635 -9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.190 -6.462 -10.703 1.00 0.00 H new ATOM 407 N ARG A 876 -20.081 -3.097 -11.524 1.00 0.00 N ATOM 408 CA ARG A 876 -20.541 -1.715 -11.756 1.00 0.00 C ATOM 409 C ARG A 876 -21.088 -1.104 -10.457 1.00 0.00 C ATOM 410 O ARG A 876 -21.930 -1.709 -9.793 1.00 0.00 O ATOM 411 CB ARG A 876 -21.573 -1.712 -12.902 1.00 0.00 C ATOM 412 CG ARG A 876 -22.091 -0.317 -13.294 1.00 0.00 C ATOM 413 CD ARG A 876 -21.021 0.605 -13.912 1.00 0.00 C ATOM 414 NE ARG A 876 -21.249 0.874 -15.344 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.207 1.609 -15.882 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.105 2.227 -15.170 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.279 1.730 -17.173 1.00 0.00 N ATOM 0 H ARG A 876 -20.756 -3.801 -11.823 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.705 -1.085 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.124 -2.178 -13.779 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.421 -2.332 -12.611 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -22.909 -0.432 -14.005 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.504 0.167 -12.409 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.006 1.550 -13.369 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.039 0.149 -13.786 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.592 0.443 -15.994 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.088 2.155 -14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.826 2.783 -15.630 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -21.598 1.259 -17.768 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -23.017 2.296 -17.592 1.00 0.00 H new ATOM 431 N ILE A 877 -20.619 0.097 -10.115 1.00 0.00 N ATOM 432 CA ILE A 877 -20.933 0.849 -8.883 1.00 0.00 C ATOM 433 C ILE A 877 -21.219 2.342 -9.180 1.00 0.00 C ATOM 434 O ILE A 877 -20.710 2.888 -10.164 1.00 0.00 O ATOM 435 CB ILE A 877 -19.788 0.692 -7.846 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.516 1.447 -8.290 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.495 -0.790 -7.555 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.353 1.409 -7.294 1.00 0.00 C ATOM 0 H ILE A 877 -19.973 0.606 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.844 0.428 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 877 -20.125 1.146 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.176 1.028 -9.237 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.778 2.488 -8.478 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.689 -0.865 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.391 -1.266 -7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.198 -1.290 -8.477 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.509 1.967 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.666 1.858 -6.351 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -17.055 0.375 -7.122 1.00 0.00 H new ATOM 450 N PRO A 878 -21.988 3.054 -8.337 1.00 0.00 N ATOM 451 CA PRO A 878 -22.159 4.500 -8.468 1.00 0.00 C ATOM 452 C PRO A 878 -20.914 5.284 -8.045 1.00 0.00 C ATOM 453 O PRO A 878 -20.208 4.901 -7.110 1.00 0.00 O ATOM 454 CB PRO A 878 -23.349 4.851 -7.570 1.00 0.00 C ATOM 455 CG PRO A 878 -23.285 3.784 -6.475 1.00 0.00 C ATOM 456 CD PRO A 878 -22.768 2.549 -7.213 1.00 0.00 C ATOM 0 HA PRO A 878 -22.327 4.771 -9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.261 5.856 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.291 4.812 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.616 4.078 -5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.264 3.606 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -22.154 1.931 -6.558 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.593 1.926 -7.558 1.00 0.00 H new ATOM 464 N ALA A 879 -20.694 6.437 -8.685 1.00 0.00 N ATOM 465 CA ALA A 879 -19.585 7.366 -8.412 1.00 0.00 C ATOM 466 C ALA A 879 -19.416 7.762 -6.926 1.00 0.00 C ATOM 467 O ALA A 879 -18.304 8.055 -6.483 1.00 0.00 O ATOM 468 CB ALA A 879 -19.810 8.631 -9.244 1.00 0.00 C ATOM 0 H ALA A 879 -21.303 6.764 -9.435 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.667 6.842 -8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.000 9.337 -9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.831 8.371 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.760 9.087 -8.964 1.00 0.00 H new ATOM 474 N SER A 880 -20.491 7.706 -6.134 1.00 0.00 N ATOM 475 CA SER A 880 -20.468 7.912 -4.677 1.00 0.00 C ATOM 476 C SER A 880 -19.509 6.952 -3.956 1.00 0.00 C ATOM 477 O SER A 880 -18.967 7.296 -2.904 1.00 0.00 O ATOM 478 CB SER A 880 -21.880 7.724 -4.104 1.00 0.00 C ATOM 479 OG SER A 880 -22.814 8.544 -4.792 1.00 0.00 O ATOM 0 H SER A 880 -21.425 7.512 -6.494 1.00 0.00 H new ATOM 0 HA SER A 880 -20.112 8.928 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.176 6.678 -4.188 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.883 7.972 -3.043 1.00 0.00 H new ATOM 0 HG SER A 880 -23.708 8.409 -4.414 1.00 0.00 H new ATOM 485 N VAL A 881 -19.265 5.768 -4.536 1.00 0.00 N ATOM 486 CA VAL A 881 -18.259 4.793 -4.080 1.00 0.00 C ATOM 487 C VAL A 881 -16.957 4.894 -4.875 1.00 0.00 C ATOM 488 O VAL A 881 -15.879 4.774 -4.293 1.00 0.00 O ATOM 489 CB VAL A 881 -18.844 3.362 -4.095 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.867 2.303 -3.571 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.114 3.267 -3.237 1.00 0.00 C ATOM 0 H VAL A 881 -19.776 5.451 -5.360 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.002 5.036 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 881 -19.061 3.163 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.340 1.322 -3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.970 2.298 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.596 2.536 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.500 2.248 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.878 3.533 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.867 3.952 -3.625 1.00 0.00 H new ATOM 501 N VAL A 882 -17.012 5.204 -6.175 1.00 0.00 N ATOM 502 CA VAL A 882 -15.806 5.280 -7.031 1.00 0.00 C ATOM 503 C VAL A 882 -14.802 6.331 -6.543 1.00 0.00 C ATOM 504 O VAL A 882 -13.599 6.180 -6.734 1.00 0.00 O ATOM 505 CB VAL A 882 -16.124 5.524 -8.528 1.00 0.00 C ATOM 506 CG1 VAL A 882 -17.329 4.736 -9.042 1.00 0.00 C ATOM 507 CG2 VAL A 882 -16.140 6.989 -8.988 1.00 0.00 C ATOM 0 H VAL A 882 -17.882 5.409 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.351 4.293 -6.944 1.00 0.00 H new ATOM 0 HB VAL A 882 -15.244 5.107 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -17.487 4.960 -10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -17.144 3.669 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -18.216 5.017 -8.474 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -16.373 7.034 -10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -16.896 7.538 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -15.162 7.436 -8.812 1.00 0.00 H new ATOM 517 N GLY A 883 -15.311 7.379 -5.892 1.00 0.00 N ATOM 518 CA GLY A 883 -14.530 8.466 -5.289 1.00 0.00 C ATOM 519 C GLY A 883 -13.840 8.102 -3.964 1.00 0.00 C ATOM 520 O GLY A 883 -12.889 8.773 -3.561 1.00 0.00 O ATOM 0 H GLY A 883 -16.316 7.500 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.771 8.789 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.189 9.317 -5.118 1.00 0.00 H new ATOM 524 N SER A 884 -14.299 7.040 -3.289 1.00 0.00 N ATOM 525 CA SER A 884 -13.684 6.488 -2.070 1.00 0.00 C ATOM 526 C SER A 884 -12.632 5.414 -2.392 1.00 0.00 C ATOM 527 O SER A 884 -11.561 5.371 -1.780 1.00 0.00 O ATOM 528 CB SER A 884 -14.790 5.914 -1.175 1.00 0.00 C ATOM 529 OG SER A 884 -14.255 5.425 0.046 1.00 0.00 O ATOM 0 H SER A 884 -15.130 6.526 -3.582 1.00 0.00 H new ATOM 0 HA SER A 884 -13.162 7.290 -1.548 1.00 0.00 H new ATOM 0 HB2 SER A 884 -15.532 6.685 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.305 5.109 -1.699 1.00 0.00 H new ATOM 0 HG SER A 884 -14.979 5.066 0.600 1.00 0.00 H new ATOM 535 N ILE A 885 -12.919 4.566 -3.386 1.00 0.00 N ATOM 536 CA ILE A 885 -12.043 3.489 -3.868 1.00 0.00 C ATOM 537 C ILE A 885 -10.845 4.070 -4.650 1.00 0.00 C ATOM 538 O ILE A 885 -10.956 5.069 -5.361 1.00 0.00 O ATOM 539 CB ILE A 885 -12.897 2.472 -4.666 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.602 1.440 -3.750 1.00 0.00 C ATOM 541 CG2 ILE A 885 -12.105 1.661 -5.703 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.478 2.020 -2.635 1.00 0.00 C ATOM 0 H ILE A 885 -13.801 4.612 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.597 2.945 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.621 3.108 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.221 0.794 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.840 0.808 -3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.776 0.973 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.655 2.339 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.321 1.095 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -14.920 1.207 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -13.868 2.640 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.271 2.626 -3.073 1.00 0.00 H new ATOM 603 N ARG A 890 -8.868 -1.480 -0.556 1.00 0.00 N ATOM 604 CA ARG A 890 -8.981 -2.949 -0.601 1.00 0.00 C ATOM 605 C ARG A 890 -10.440 -3.360 -0.842 1.00 0.00 C ATOM 606 O ARG A 890 -11.080 -3.985 0.006 1.00 0.00 O ATOM 607 CB ARG A 890 -8.376 -3.588 0.664 1.00 0.00 C ATOM 608 CG ARG A 890 -6.860 -3.354 0.795 1.00 0.00 C ATOM 609 CD ARG A 890 -6.251 -4.132 1.968 1.00 0.00 C ATOM 610 NE ARG A 890 -6.736 -3.643 3.276 1.00 0.00 N ATOM 611 CZ ARG A 890 -6.482 -4.175 4.459 1.00 0.00 C ATOM 612 NH1 ARG A 890 -5.739 -5.237 4.598 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -6.977 -3.643 5.540 1.00 0.00 N ATOM 0 HA ARG A 890 -8.399 -3.329 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.877 -3.183 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.572 -4.660 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.367 -3.652 -0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.669 -2.289 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.494 -5.190 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -5.165 -4.049 1.931 1.00 0.00 H new ATOM 0 HE ARG A 890 -7.326 -2.811 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.332 -5.686 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -5.565 -5.619 5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -7.564 -2.811 5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -6.777 -4.058 6.450 1.00 0.00 H new ATOM 627 N TRP A 891 -10.986 -2.951 -1.986 1.00 0.00 N ATOM 628 CA TRP A 891 -12.336 -3.330 -2.415 1.00 0.00 C ATOM 629 C TRP A 891 -12.340 -4.789 -2.880 1.00 0.00 C ATOM 630 O TRP A 891 -11.514 -5.166 -3.711 1.00 0.00 O ATOM 631 CB TRP A 891 -12.837 -2.412 -3.528 1.00 0.00 C ATOM 632 CG TRP A 891 -14.313 -2.501 -3.777 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.216 -1.618 -3.302 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.094 -3.513 -4.494 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.485 -1.963 -3.708 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.477 -3.156 -4.399 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.784 -4.698 -5.199 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.495 -3.953 -4.936 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.803 -5.508 -5.740 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.150 -5.141 -5.593 1.00 0.00 C ATOM 0 H TRP A 891 -10.503 -2.343 -2.647 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.012 -3.223 -1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.583 -1.382 -3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.309 -2.655 -4.450 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.977 -0.761 -2.690 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.321 -1.409 -3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.751 -4.987 -5.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.530 -3.657 -4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.547 -6.414 -6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.926 -5.779 -5.989 1.00 0.00 H new ATOM 651 N ILE A 892 -13.257 -5.614 -2.374 1.00 0.00 N ATOM 652 CA ILE A 892 -13.343 -7.041 -2.726 1.00 0.00 C ATOM 653 C ILE A 892 -14.789 -7.510 -2.905 1.00 0.00 C ATOM 654 O ILE A 892 -15.722 -6.902 -2.371 1.00 0.00 O ATOM 655 CB ILE A 892 -12.604 -7.915 -1.685 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.308 -7.879 -0.313 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.115 -7.537 -1.560 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.952 -9.068 0.577 1.00 0.00 C ATOM 0 H ILE A 892 -13.966 -5.315 -1.705 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.848 -7.160 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.643 -8.941 -2.051 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.041 -6.956 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.387 -7.858 -0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.638 -8.177 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.624 -7.670 -2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.029 -6.496 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.480 -8.982 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.244 -9.994 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.877 -9.077 0.759 1.00 0.00 H new ATOM 670 N CYS A 893 -14.966 -8.654 -3.564 1.00 0.00 N ATOM 671 CA CYS A 893 -16.249 -9.314 -3.733 1.00 0.00 C ATOM 672 C CYS A 893 -17.048 -9.471 -2.414 1.00 0.00 C ATOM 673 O CYS A 893 -18.248 -9.209 -2.408 1.00 0.00 O ATOM 674 CB CYS A 893 -16.017 -10.663 -4.422 1.00 0.00 C ATOM 675 SG CYS A 893 -15.165 -10.503 -6.025 1.00 0.00 S ATOM 0 H CYS A 893 -14.196 -9.157 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.876 -8.678 -4.358 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.428 -11.304 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.976 -11.158 -4.574 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.936 -10.126 -5.828 1.00 0.00 H new ATOM 680 N MET A 894 -16.423 -9.872 -1.297 1.00 0.00 N ATOM 681 CA MET A 894 -17.159 -10.102 -0.037 1.00 0.00 C ATOM 682 C MET A 894 -17.766 -8.809 0.555 1.00 0.00 C ATOM 683 O MET A 894 -18.726 -8.857 1.326 1.00 0.00 O ATOM 684 CB MET A 894 -16.235 -10.825 0.958 1.00 0.00 C ATOM 685 CG MET A 894 -16.938 -11.346 2.218 1.00 0.00 C ATOM 686 SD MET A 894 -18.341 -12.477 1.963 1.00 0.00 S ATOM 687 CE MET A 894 -17.533 -13.849 1.091 1.00 0.00 C ATOM 0 H MET A 894 -15.419 -10.043 -1.236 1.00 0.00 H new ATOM 0 HA MET A 894 -18.018 -10.737 -0.252 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.760 -11.664 0.449 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.440 -10.142 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.198 -11.856 2.834 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.292 -10.488 2.789 1.00 0.00 H new ATOM 0 HE1 MET A 894 -18.253 -14.652 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.159 -13.499 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.702 -14.222 1.690 1.00 0.00 H new ATOM 697 N ASN A 895 -17.238 -7.644 0.160 1.00 0.00 N ATOM 698 CA ASN A 895 -17.744 -6.311 0.510 1.00 0.00 C ATOM 699 C ASN A 895 -18.825 -5.786 -0.469 1.00 0.00 C ATOM 700 O ASN A 895 -19.481 -4.785 -0.174 1.00 0.00 O ATOM 701 CB ASN A 895 -16.521 -5.373 0.664 1.00 0.00 C ATOM 702 CG ASN A 895 -16.528 -4.131 -0.216 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.677 -3.007 0.243 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.355 -4.297 -1.505 1.00 0.00 N ATOM 0 H ASN A 895 -16.412 -7.603 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.281 -6.356 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.457 -5.058 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.618 -5.944 0.448 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.345 -3.488 -2.126 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.231 -5.235 -1.886 1.00 0.00 H new ATOM 711 N ASN A 896 -18.995 -6.435 -1.629 1.00 0.00 N ATOM 712 CA ASN A 896 -19.865 -5.983 -2.721 1.00 0.00 C ATOM 713 C ASN A 896 -21.316 -5.730 -2.272 1.00 0.00 C ATOM 714 O ASN A 896 -21.917 -6.532 -1.553 1.00 0.00 O ATOM 715 CB ASN A 896 -19.837 -7.013 -3.869 1.00 0.00 C ATOM 716 CG ASN A 896 -20.672 -6.609 -5.074 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.642 -5.480 -5.534 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.475 -7.497 -5.615 1.00 0.00 N ATOM 0 H ASN A 896 -18.518 -7.312 -1.838 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.474 -5.025 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.805 -7.162 -4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.196 -7.971 -3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -22.062 -7.238 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.512 -8.446 -5.242 1.00 0.00 H new ATOM 725 N SER A 897 -21.888 -4.638 -2.779 1.00 0.00 N ATOM 726 CA SER A 897 -23.286 -4.236 -2.568 1.00 0.00 C ATOM 727 C SER A 897 -24.313 -5.317 -2.928 1.00 0.00 C ATOM 728 O SER A 897 -25.274 -5.548 -2.193 1.00 0.00 O ATOM 729 CB SER A 897 -23.579 -3.019 -3.448 1.00 0.00 C ATOM 730 OG SER A 897 -22.862 -1.886 -2.983 1.00 0.00 O ATOM 0 H SER A 897 -21.376 -3.983 -3.370 1.00 0.00 H new ATOM 0 HA SER A 897 -23.387 -4.032 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.302 -3.234 -4.480 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.648 -2.808 -3.442 1.00 0.00 H new ATOM 0 HG SER A 897 -23.058 -1.116 -3.557 1.00 0.00 H new ATOM 736 N ASP A 898 -24.114 -5.968 -4.073 1.00 0.00 N ATOM 737 CA ASP A 898 -25.040 -6.956 -4.639 1.00 0.00 C ATOM 738 C ASP A 898 -24.697 -8.378 -4.181 1.00 0.00 C ATOM 739 O ASP A 898 -23.783 -9.022 -4.700 1.00 0.00 O ATOM 740 CB ASP A 898 -25.075 -6.867 -6.175 1.00 0.00 C ATOM 741 CG ASP A 898 -25.109 -5.433 -6.730 1.00 0.00 C ATOM 742 OD1 ASP A 898 -26.016 -4.650 -6.360 1.00 0.00 O ATOM 743 OD2 ASP A 898 -24.229 -5.105 -7.561 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.285 -5.822 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 898 -26.036 -6.721 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.199 -7.378 -6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.951 -7.404 -6.538 1.00 0.00 H new ATOM 748 N LYS A 899 -25.483 -8.903 -3.239 1.00 0.00 N ATOM 749 CA LYS A 899 -25.307 -10.231 -2.617 1.00 0.00 C ATOM 750 C LYS A 899 -25.326 -11.387 -3.631 1.00 0.00 C ATOM 751 O LYS A 899 -24.719 -12.430 -3.387 1.00 0.00 O ATOM 752 CB LYS A 899 -26.386 -10.433 -1.536 1.00 0.00 C ATOM 753 CG LYS A 899 -26.320 -9.401 -0.395 1.00 0.00 C ATOM 754 CD LYS A 899 -25.303 -9.813 0.673 1.00 0.00 C ATOM 755 CE LYS A 899 -25.871 -10.924 1.567 1.00 0.00 C ATOM 756 NZ LYS A 899 -24.897 -11.346 2.607 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.291 -8.402 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.315 -10.250 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.370 -10.383 -2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.284 -11.433 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.050 -8.426 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.305 -9.296 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.386 -10.158 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.039 -8.949 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.785 -10.574 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.142 -11.783 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.316 -12.097 3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.034 -11.704 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -24.658 -10.532 3.209 1.00 0.00 H new ATOM 770 N ARG A 900 -25.952 -11.172 -4.795 1.00 0.00 N ATOM 771 CA ARG A 900 -25.959 -12.083 -5.959 1.00 0.00 C ATOM 772 C ARG A 900 -24.586 -12.255 -6.625 1.00 0.00 C ATOM 773 O ARG A 900 -24.341 -13.283 -7.254 1.00 0.00 O ATOM 774 CB ARG A 900 -26.974 -11.554 -6.987 1.00 0.00 C ATOM 775 CG ARG A 900 -28.424 -11.802 -6.539 1.00 0.00 C ATOM 776 CD ARG A 900 -29.452 -11.307 -7.568 1.00 0.00 C ATOM 777 NE ARG A 900 -29.432 -9.837 -7.735 1.00 0.00 N ATOM 778 CZ ARG A 900 -30.000 -8.931 -6.957 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.665 -9.250 -5.883 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -29.906 -7.665 -7.246 1.00 0.00 N ATOM 0 H ARG A 900 -26.492 -10.323 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.238 -13.071 -5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.817 -10.486 -7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.803 -12.038 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.570 -12.869 -6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.597 -11.300 -5.587 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.254 -11.780 -8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -30.449 -11.620 -7.258 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.921 -9.482 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.762 -10.229 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.088 -8.520 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -29.392 -7.368 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -30.346 -6.970 -6.643 1.00 0.00 H new ATOM 794 N PHE A 901 -23.693 -11.273 -6.471 1.00 0.00 N ATOM 795 CA PHE A 901 -22.356 -11.229 -7.089 1.00 0.00 C ATOM 796 C PHE A 901 -21.193 -11.075 -6.089 1.00 0.00 C ATOM 797 O PHE A 901 -20.030 -10.978 -6.481 1.00 0.00 O ATOM 798 CB PHE A 901 -22.320 -10.154 -8.196 1.00 0.00 C ATOM 799 CG PHE A 901 -23.446 -10.189 -9.221 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.694 -9.607 -8.925 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.237 -10.743 -10.500 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.729 -9.617 -9.876 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.271 -10.758 -11.452 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.521 -10.201 -11.137 1.00 0.00 C ATOM 0 H PHE A 901 -23.884 -10.455 -5.892 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.190 -12.209 -7.537 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.325 -9.174 -7.719 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.373 -10.245 -8.728 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.857 -9.150 -7.960 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.273 -11.160 -10.751 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.685 -9.175 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -24.104 -11.197 -12.424 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.321 -10.221 -11.862 1.00 0.00 H new ATOM 814 N ALA A 902 -21.505 -11.086 -4.795 1.00 0.00 N ATOM 815 CA ALA A 902 -20.631 -10.793 -3.657 1.00 0.00 C ATOM 816 C ALA A 902 -19.761 -11.980 -3.187 1.00 0.00 C ATOM 817 O ALA A 902 -19.591 -12.227 -1.992 1.00 0.00 O ATOM 818 CB ALA A 902 -21.491 -10.181 -2.536 1.00 0.00 C ATOM 0 H ALA A 902 -22.450 -11.318 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.882 -10.070 -3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.860 -9.954 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.958 -9.264 -2.895 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.264 -10.891 -2.242 1.00 0.00 H new ATOM 824 N ASP A 903 -19.181 -12.706 -4.142 1.00 0.00 N ATOM 825 CA ASP A 903 -18.062 -13.628 -3.894 1.00 0.00 C ATOM 826 C ASP A 903 -17.084 -13.666 -5.071 1.00 0.00 C ATOM 827 O ASP A 903 -17.483 -13.500 -6.229 1.00 0.00 O ATOM 828 CB ASP A 903 -18.560 -15.061 -3.609 1.00 0.00 C ATOM 829 CG ASP A 903 -17.695 -15.881 -2.628 1.00 0.00 C ATOM 830 OD1 ASP A 903 -16.622 -15.416 -2.181 1.00 0.00 O ATOM 831 OD2 ASP A 903 -18.094 -17.030 -2.322 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.473 -12.674 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.543 -13.247 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.573 -15.003 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.619 -15.601 -4.554 1.00 0.00 H new ATOM 836 N CYS A 904 -15.833 -14.019 -4.777 1.00 0.00 N ATOM 837 CA CYS A 904 -14.828 -14.416 -5.751 1.00 0.00 C ATOM 838 C CYS A 904 -15.294 -15.644 -6.593 1.00 0.00 C ATOM 839 O CYS A 904 -14.753 -15.899 -7.672 1.00 0.00 O ATOM 840 CB CYS A 904 -13.520 -14.666 -4.968 1.00 0.00 C ATOM 841 SG CYS A 904 -12.967 -13.198 -4.016 1.00 0.00 S ATOM 0 H CYS A 904 -15.483 -14.036 -3.819 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.662 -13.632 -6.490 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.666 -15.502 -4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.735 -14.957 -5.666 1.00 0.00 H new ATOM 0 HG CYS A 904 -11.867 -13.480 -3.383 1.00 0.00 H new ATOM 846 N SER A 905 -16.289 -16.403 -6.095 1.00 0.00 N ATOM 847 CA SER A 905 -16.884 -17.562 -6.785 1.00 0.00 C ATOM 848 C SER A 905 -18.129 -17.211 -7.611 1.00 0.00 C ATOM 849 O SER A 905 -18.559 -18.010 -8.446 1.00 0.00 O ATOM 850 CB SER A 905 -17.256 -18.653 -5.778 1.00 0.00 C ATOM 851 OG SER A 905 -16.109 -19.130 -5.088 1.00 0.00 O ATOM 0 H SER A 905 -16.710 -16.223 -5.183 1.00 0.00 H new ATOM 0 HA SER A 905 -16.119 -17.917 -7.476 1.00 0.00 H new ATOM 0 HB2 SER A 905 -17.977 -18.259 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.741 -19.480 -6.297 1.00 0.00 H new ATOM 0 HG SER A 905 -16.376 -19.824 -4.450 1.00 0.00 H new ATOM 857 N LYS A 906 -18.736 -16.038 -7.377 1.00 0.00 N ATOM 858 CA LYS A 906 -19.893 -15.543 -8.138 1.00 0.00 C ATOM 859 C LYS A 906 -19.500 -14.965 -9.505 1.00 0.00 C ATOM 860 O LYS A 906 -18.330 -14.688 -9.779 1.00 0.00 O ATOM 861 CB LYS A 906 -20.630 -14.467 -7.333 1.00 0.00 C ATOM 862 CG LYS A 906 -21.452 -14.885 -6.105 1.00 0.00 C ATOM 863 CD LYS A 906 -22.504 -15.981 -6.342 1.00 0.00 C ATOM 864 CE LYS A 906 -21.933 -17.394 -6.140 1.00 0.00 C ATOM 865 NZ LYS A 906 -22.971 -18.437 -6.348 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.433 -15.397 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.542 -16.401 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.889 -13.740 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.302 -13.947 -8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.765 -15.229 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.957 -14.002 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.342 -15.830 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.896 -15.892 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.108 -17.557 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.524 -17.482 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -22.552 -19.378 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.746 -18.296 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.343 -18.368 -7.317 1.00 0.00 H new ATOM 879 N SER A 907 -20.520 -14.717 -10.326 1.00 0.00 N ATOM 880 CA SER A 907 -20.399 -14.186 -11.689 1.00 0.00 C ATOM 881 C SER A 907 -20.251 -12.649 -11.721 1.00 0.00 C ATOM 882 O SER A 907 -19.965 -12.017 -10.697 1.00 0.00 O ATOM 883 CB SER A 907 -21.590 -14.709 -12.508 1.00 0.00 C ATOM 884 OG SER A 907 -21.393 -14.510 -13.900 1.00 0.00 O ATOM 0 H SER A 907 -21.488 -14.885 -10.054 1.00 0.00 H new ATOM 0 HA SER A 907 -19.475 -14.542 -12.144 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.732 -15.771 -12.308 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.501 -14.201 -12.192 1.00 0.00 H new ATOM 0 HG SER A 907 -22.167 -14.855 -14.392 1.00 0.00 H new ATOM 890 N GLN A 908 -20.440 -12.042 -12.894 1.00 0.00 N ATOM 891 CA GLN A 908 -20.397 -10.602 -13.182 1.00 0.00 C ATOM 892 C GLN A 908 -21.282 -10.258 -14.400 1.00 0.00 C ATOM 893 O GLN A 908 -21.714 -11.156 -15.125 1.00 0.00 O ATOM 894 CB GLN A 908 -18.932 -10.181 -13.385 1.00 0.00 C ATOM 895 CG GLN A 908 -18.320 -10.695 -14.690 1.00 0.00 C ATOM 896 CD GLN A 908 -16.801 -10.831 -14.594 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.271 -11.799 -14.066 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.047 -9.883 -15.102 1.00 0.00 N ATOM 0 H GLN A 908 -20.643 -12.584 -13.734 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.804 -10.041 -12.341 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.870 -9.093 -13.369 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.339 -10.546 -12.547 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.756 -11.663 -14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.573 -10.013 -15.502 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.478 -9.071 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.031 -9.959 -15.054 1.00 0.00 H new ATOM 907 N GLU A 909 -21.551 -8.970 -14.656 1.00 0.00 N ATOM 908 CA GLU A 909 -22.400 -8.566 -15.798 1.00 0.00 C ATOM 909 C GLU A 909 -21.743 -8.861 -17.164 1.00 0.00 C ATOM 910 O GLU A 909 -22.442 -9.198 -18.123 1.00 0.00 O ATOM 911 CB GLU A 909 -22.740 -7.067 -15.741 1.00 0.00 C ATOM 912 CG GLU A 909 -23.242 -6.502 -14.402 1.00 0.00 C ATOM 913 CD GLU A 909 -24.495 -7.195 -13.826 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.376 -7.654 -14.594 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.601 -7.251 -12.577 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.199 -8.193 -14.097 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.309 -9.162 -15.710 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.849 -6.509 -16.028 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.499 -6.866 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.437 -6.575 -13.670 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.460 -5.442 -14.532 1.00 0.00 H new ATOM 922 N MET A 910 -20.408 -8.753 -17.255 1.00 0.00 N ATOM 923 CA MET A 910 -19.607 -9.046 -18.460 1.00 0.00 C ATOM 924 C MET A 910 -18.196 -9.508 -18.078 1.00 0.00 C ATOM 925 O MET A 910 -17.523 -8.840 -17.288 1.00 0.00 O ATOM 926 CB MET A 910 -19.450 -7.819 -19.370 1.00 0.00 C ATOM 927 CG MET A 910 -20.740 -7.282 -19.991 1.00 0.00 C ATOM 928 SD MET A 910 -20.453 -5.886 -21.114 1.00 0.00 S ATOM 929 CE MET A 910 -22.166 -5.519 -21.582 1.00 0.00 C ATOM 0 H MET A 910 -19.835 -8.450 -16.467 1.00 0.00 H new ATOM 0 HA MET A 910 -20.147 -9.829 -18.992 1.00 0.00 H new ATOM 0 HB2 MET A 910 -18.986 -7.019 -18.793 1.00 0.00 H new ATOM 0 HB3 MET A 910 -18.760 -8.073 -20.175 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.237 -8.085 -20.536 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.418 -6.970 -19.196 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.181 -4.679 -22.276 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.608 -6.393 -22.060 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.740 -5.264 -20.691 1.00 0.00 H new ATOM 939 N SER A 911 -17.742 -10.629 -18.640 1.00 0.00 N ATOM 940 CA SER A 911 -16.438 -11.241 -18.318 1.00 0.00 C ATOM 941 C SER A 911 -15.271 -10.354 -18.752 1.00 0.00 C ATOM 942 O SER A 911 -15.436 -9.456 -19.575 1.00 0.00 O ATOM 943 CB SER A 911 -16.287 -12.634 -18.936 1.00 0.00 C ATOM 944 OG SER A 911 -17.464 -13.409 -18.759 1.00 0.00 O ATOM 0 H SER A 911 -18.270 -11.149 -19.341 1.00 0.00 H new ATOM 0 HA SER A 911 -16.412 -11.343 -17.233 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.068 -12.540 -20.000 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.440 -13.146 -18.480 1.00 0.00 H new ATOM 0 HG SER A 911 -17.338 -14.292 -19.165 1.00 0.00 H new ATOM 950 N ASN A 912 -14.078 -10.596 -18.207 1.00 0.00 N ATOM 951 CA ASN A 912 -12.944 -9.653 -18.245 1.00 0.00 C ATOM 952 C ASN A 912 -12.413 -9.331 -19.664 1.00 0.00 C ATOM 953 O ASN A 912 -11.728 -8.324 -19.839 1.00 0.00 O ATOM 954 CB ASN A 912 -11.816 -10.182 -17.331 1.00 0.00 C ATOM 955 CG ASN A 912 -12.120 -10.108 -15.838 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.241 -10.298 -15.388 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.148 -9.779 -15.026 1.00 0.00 N ATOM 0 H ASN A 912 -13.862 -11.465 -17.718 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.319 -8.698 -17.876 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.609 -11.219 -17.595 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -10.907 -9.614 -17.532 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.329 -9.683 -14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.210 -9.619 -15.392 1.00 0.00 H new ATOM 964 N GLU A 913 -12.750 -10.147 -20.667 1.00 0.00 N ATOM 965 CA GLU A 913 -12.460 -9.937 -22.101 1.00 0.00 C ATOM 966 C GLU A 913 -13.634 -9.295 -22.899 1.00 0.00 C ATOM 967 O GLU A 913 -13.501 -8.988 -24.084 1.00 0.00 O ATOM 968 CB GLU A 913 -11.989 -11.286 -22.682 1.00 0.00 C ATOM 969 CG GLU A 913 -11.412 -11.218 -24.106 1.00 0.00 C ATOM 970 CD GLU A 913 -10.639 -12.493 -24.520 1.00 0.00 C ATOM 971 OE1 GLU A 913 -10.985 -13.619 -24.084 1.00 0.00 O ATOM 972 OE2 GLU A 913 -9.688 -12.381 -25.333 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.257 -11.016 -20.500 1.00 0.00 H new ATOM 0 HA GLU A 913 -11.668 -9.194 -22.201 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.231 -11.704 -22.019 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.831 -11.978 -22.681 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -12.226 -11.051 -24.812 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -10.745 -10.359 -24.179 1.00 0.00 H new ATOM 979 N GLU A 914 -14.786 -9.061 -22.256 1.00 0.00 N ATOM 980 CA GLU A 914 -15.990 -8.424 -22.815 1.00 0.00 C ATOM 981 C GLU A 914 -16.325 -7.064 -22.165 1.00 0.00 C ATOM 982 O GLU A 914 -16.808 -6.171 -22.865 1.00 0.00 O ATOM 983 CB GLU A 914 -17.197 -9.371 -22.691 1.00 0.00 C ATOM 984 CG GLU A 914 -17.255 -10.463 -23.773 1.00 0.00 C ATOM 985 CD GLU A 914 -16.182 -11.570 -23.666 1.00 0.00 C ATOM 986 OE1 GLU A 914 -15.668 -12.012 -24.724 1.00 0.00 O ATOM 987 OE2 GLU A 914 -15.902 -12.068 -22.550 1.00 0.00 O1- ATOM 0 H GLU A 914 -14.912 -9.325 -21.279 1.00 0.00 H new ATOM 0 HA GLU A 914 -15.772 -8.225 -23.864 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.172 -9.847 -21.711 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.113 -8.782 -22.736 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -18.239 -10.931 -23.738 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -17.163 -9.987 -24.749 1.00 0.00 H new ATOM 994 N ILE A 915 -16.055 -6.855 -20.866 1.00 0.00 N ATOM 995 CA ILE A 915 -16.183 -5.523 -20.237 1.00 0.00 C ATOM 996 C ILE A 915 -15.177 -4.532 -20.848 1.00 0.00 C ATOM 997 O ILE A 915 -15.555 -3.488 -21.364 1.00 0.00 O ATOM 998 CB ILE A 915 -16.117 -5.582 -18.684 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.912 -4.193 -18.056 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.024 -6.483 -18.089 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.938 -3.153 -18.482 1.00 0.00 C ATOM 0 H ILE A 915 -15.747 -7.589 -20.228 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.181 -5.147 -20.461 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.088 -6.011 -18.438 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.941 -4.291 -16.971 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.917 -3.833 -18.318 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.074 -6.445 -17.001 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.176 -7.509 -18.424 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.045 -6.135 -18.420 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.719 -2.204 -17.993 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.896 -3.022 -19.563 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.935 -3.487 -18.195 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.889 -4.850 -20.821 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.811 -4.002 -21.356 1.00 0.00 C ATOM 1015 C ASN A 916 -13.056 -3.527 -22.812 1.00 0.00 C ATOM 1016 O ASN A 916 -12.707 -2.401 -23.166 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.477 -4.766 -21.209 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.381 -6.036 -22.059 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.367 -6.609 -22.494 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.200 -6.530 -22.344 1.00 0.00 N ATOM 0 H ASN A 916 -13.548 -5.723 -20.419 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.779 -3.079 -20.776 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.658 -4.099 -21.479 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.338 -5.033 -20.161 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.124 -7.372 -22.915 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.358 -6.073 -21.994 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.734 -4.333 -23.632 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.215 -3.988 -24.977 1.00 0.00 C ATOM 1029 C GLU A 917 -15.278 -2.873 -25.005 1.00 0.00 C ATOM 1030 O GLU A 917 -15.311 -2.078 -25.946 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.794 -5.249 -25.627 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.742 -6.021 -26.439 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.318 -7.187 -27.279 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -15.513 -7.551 -27.152 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -13.563 -7.742 -28.117 1.00 0.00 O1- ATOM 0 H GLU A 917 -13.975 -5.288 -23.367 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.356 -3.601 -25.525 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.202 -5.899 -24.853 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.622 -4.972 -26.279 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.232 -5.326 -27.105 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -12.991 -6.417 -25.756 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.128 -2.772 -23.981 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.111 -1.688 -23.823 1.00 0.00 C ATOM 1044 C GLU A 918 -16.421 -0.328 -23.626 1.00 0.00 C ATOM 1045 O GLU A 918 -16.834 0.672 -24.218 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.057 -1.993 -22.641 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.356 -1.169 -22.637 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.464 -1.724 -23.566 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.659 -1.628 -23.196 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.169 -2.220 -24.680 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.156 -3.452 -23.222 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.699 -1.630 -24.739 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.313 -3.052 -22.661 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.523 -1.811 -21.708 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.741 -1.124 -21.618 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.125 -0.147 -22.936 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.329 -0.293 -22.851 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.462 0.884 -22.705 1.00 0.00 C ATOM 1059 C LEU A 919 -13.527 1.090 -23.917 1.00 0.00 C ATOM 1060 O LEU A 919 -13.085 2.208 -24.181 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.652 0.726 -21.407 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.532 0.741 -20.138 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.453 -0.602 -19.422 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.066 1.830 -19.197 1.00 0.00 C ATOM 0 H LEU A 919 -15.018 -1.093 -22.300 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.088 1.775 -22.659 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.095 -0.210 -21.445 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.919 1.530 -21.343 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.563 0.931 -20.437 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.078 -0.576 -18.530 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.804 -1.391 -20.088 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.420 -0.801 -19.136 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.693 1.833 -18.305 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.030 1.646 -18.912 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.139 2.797 -19.695 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.256 0.016 -24.662 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.475 0.001 -25.909 1.00 0.00 C ATOM 1078 C GLY A 920 -10.966 -0.195 -25.708 1.00 0.00 C ATOM 1079 O GLY A 920 -10.165 0.403 -26.431 1.00 0.00 O ATOM 0 H GLY A 920 -13.589 -0.913 -24.403 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.851 -0.797 -26.550 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.640 0.939 -26.438 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.576 -0.985 -24.702 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.208 -1.085 -24.155 1.00 0.00 C ATOM 1085 C ILE A 921 -8.807 -2.535 -23.816 1.00 0.00 C ATOM 1086 O ILE A 921 -9.631 -3.451 -23.841 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.067 -0.161 -22.919 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.088 -0.551 -21.829 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.181 1.321 -23.322 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -9.963 0.241 -20.529 1.00 0.00 C ATOM 0 H ILE A 921 -11.231 -1.602 -24.221 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.518 -0.754 -24.931 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.073 -0.297 -22.494 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.094 -0.415 -22.227 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.974 -1.612 -21.605 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.079 1.948 -22.436 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.392 1.566 -24.033 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.153 1.499 -23.782 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -10.719 -0.099 -19.821 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -8.972 0.087 -20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.109 1.302 -20.734 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.119 3.552 -15.954 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.545 3.900 -16.083 1.00 0.00 C ATOM 1264 C GLN B 5 -16.053 3.864 -17.533 1.00 0.00 C ATOM 1265 O GLN B 5 -15.526 4.539 -18.415 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.843 5.235 -15.378 1.00 0.00 C ATOM 1267 CG GLN B 5 -15.644 6.555 -16.149 1.00 0.00 C ATOM 1268 CD GLN B 5 -16.882 7.031 -16.919 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -16.834 7.346 -18.101 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -18.039 7.116 -16.296 1.00 0.00 N ATOM 0 HA GLN B 5 -16.113 3.122 -15.574 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.880 5.204 -15.043 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.220 5.280 -14.485 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -15.348 7.332 -15.444 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.820 6.431 -16.851 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.108 6.860 -15.311 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.866 7.438 -16.798 1.00 0.00 H new ATOM 1279 N THR B 6 -17.082 3.052 -17.777 1.00 0.00 N ATOM 1280 CA THR B 6 -17.776 2.944 -19.074 1.00 0.00 C ATOM 1281 C THR B 6 -18.521 4.236 -19.424 1.00 0.00 C ATOM 1282 O THR B 6 -19.343 4.726 -18.647 1.00 0.00 O ATOM 1283 CB THR B 6 -18.778 1.774 -19.100 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.415 1.609 -17.848 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.127 0.439 -19.435 1.00 0.00 C ATOM 0 H THR B 6 -17.470 2.433 -17.065 1.00 0.00 H new ATOM 0 HA THR B 6 -16.998 2.760 -19.815 1.00 0.00 H new ATOM 0 HB THR B 6 -19.494 2.041 -19.878 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.691 2.484 -17.504 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.885 -0.345 -19.438 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.662 0.498 -20.419 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.368 0.207 -18.688 1.00 0.00 H new