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= 2.61 K(o=3.6,f=-4.9!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.981 K(o=3.6,f=-5.9!) USER MOD Set 2.1: A 868 CYS SG : rot -142:sc= 2.05 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.09 USER MOD Set 2.3: A 893 CYS SG : rot 68:sc= 0.0535 USER MOD Set 2.4: A 904 CYS SG : rot -24:sc= 0.06 USER MOD Single : A 863 SER OG : rot 37:sc= 0.0632 USER MOD Single : A 873 LYS NZ :NH3+ -156:sc= 1.14 (180deg=0.313) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.4!) USER MOD Single : A 896 ASN : amide:sc= 0.222 K(o=0.22,f=-4.3!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.288 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= -0.332 K(o=-0.33,f=-3.9!) USER MOD Single : B 5 GLN :FLIP amide:sc= 0.836 F(o=-0.24,f=0.84) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.448 7.192 -13.169 1.00 0.00 N ATOM 189 CA SER A 863 -20.569 5.817 -12.658 1.00 0.00 C ATOM 190 C SER A 863 -19.594 4.866 -13.352 1.00 0.00 C ATOM 191 O SER A 863 -19.453 4.871 -14.578 1.00 0.00 O ATOM 192 CB SER A 863 -22.003 5.304 -12.794 1.00 0.00 C ATOM 193 OG SER A 863 -22.868 6.132 -12.032 1.00 0.00 O ATOM 0 HA SER A 863 -20.310 5.845 -11.600 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.306 5.307 -13.841 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.068 4.273 -12.447 1.00 0.00 H new ATOM 0 HG SER A 863 -22.566 7.062 -12.091 1.00 0.00 H new ATOM 199 N ALA A 864 -18.928 4.021 -12.569 1.00 0.00 N ATOM 200 CA ALA A 864 -17.687 3.350 -12.966 1.00 0.00 C ATOM 201 C ALA A 864 -17.722 1.840 -12.698 1.00 0.00 C ATOM 202 O ALA A 864 -18.727 1.311 -12.230 1.00 0.00 O ATOM 203 CB ALA A 864 -16.544 4.041 -12.211 1.00 0.00 C ATOM 0 H ALA A 864 -19.237 3.778 -11.628 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.544 3.437 -14.043 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.597 3.572 -12.477 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.515 5.097 -12.481 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.707 3.946 -11.137 1.00 0.00 H new ATOM 209 N TRP A 865 -16.632 1.131 -12.979 1.00 0.00 N ATOM 210 CA TRP A 865 -16.397 -0.206 -12.421 1.00 0.00 C ATOM 211 C TRP A 865 -15.451 -0.144 -11.210 1.00 0.00 C ATOM 212 O TRP A 865 -14.881 0.900 -10.884 1.00 0.00 O ATOM 213 CB TRP A 865 -15.909 -1.143 -13.529 1.00 0.00 C ATOM 214 CG TRP A 865 -16.915 -1.412 -14.610 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.265 -0.546 -15.585 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.738 -2.599 -14.825 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.263 -1.091 -16.365 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.595 -2.367 -15.944 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.820 -3.862 -14.203 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.493 -3.343 -16.406 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.689 -4.864 -14.679 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.527 -4.600 -15.773 1.00 0.00 C ATOM 0 H TRP A 865 -15.889 1.460 -13.595 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.332 -0.616 -12.039 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.015 -0.714 -13.982 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.615 -2.092 -13.081 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.827 0.430 -15.732 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.701 -0.614 -17.153 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.202 -4.066 -13.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.150 -3.132 -17.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.710 -5.833 -14.203 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.201 -5.364 -16.131 1.00 0.00 H new ATOM 233 N VAL A 866 -15.301 -1.283 -10.536 1.00 0.00 N ATOM 234 CA VAL A 866 -14.283 -1.544 -9.508 1.00 0.00 C ATOM 235 C VAL A 866 -13.822 -3.000 -9.586 1.00 0.00 C ATOM 236 O VAL A 866 -14.610 -3.880 -9.940 1.00 0.00 O ATOM 237 CB VAL A 866 -14.780 -1.142 -8.110 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.972 -1.977 -7.638 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.673 -1.214 -7.055 1.00 0.00 C ATOM 0 H VAL A 866 -15.909 -2.086 -10.695 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.412 -0.918 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.104 -0.107 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.277 -1.647 -6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.802 -1.852 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.687 -3.028 -7.599 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.075 -0.921 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.292 -2.234 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.863 -0.539 -7.331 1.00 0.00 H new ATOM 249 N ARG A 867 -12.535 -3.235 -9.307 1.00 0.00 N ATOM 250 CA ARG A 867 -11.892 -4.557 -9.293 1.00 0.00 C ATOM 251 C ARG A 867 -11.764 -5.105 -7.868 1.00 0.00 C ATOM 252 O ARG A 867 -11.447 -4.347 -6.951 1.00 0.00 O ATOM 253 CB ARG A 867 -10.502 -4.439 -9.932 1.00 0.00 C ATOM 254 CG ARG A 867 -10.024 -5.728 -10.618 1.00 0.00 C ATOM 255 CD ARG A 867 -8.564 -5.669 -11.105 1.00 0.00 C ATOM 256 NE ARG A 867 -7.646 -6.263 -10.115 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.225 -5.697 -9.003 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.346 -4.427 -8.759 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.685 -6.394 -8.055 1.00 0.00 N ATOM 0 H ARG A 867 -11.887 -2.482 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.512 -5.252 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.516 -3.632 -10.665 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.782 -4.159 -9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.132 -6.560 -9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.673 -5.938 -11.469 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.473 -6.199 -12.053 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.282 -4.633 -11.291 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.304 -7.204 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.786 -3.815 -9.447 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.002 -4.042 -7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.578 -7.403 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.366 -5.934 -7.202 1.00 0.00 H new ATOM 273 N CYS A 868 -11.905 -6.417 -7.699 1.00 0.00 N ATOM 274 CA CYS A 868 -11.567 -7.120 -6.473 1.00 0.00 C ATOM 275 C CYS A 868 -10.035 -7.230 -6.288 1.00 0.00 C ATOM 276 O CYS A 868 -9.338 -7.866 -7.084 1.00 0.00 O ATOM 277 CB CYS A 868 -12.275 -8.477 -6.506 1.00 0.00 C ATOM 278 SG CYS A 868 -11.904 -9.444 -5.005 1.00 0.00 S ATOM 0 H CYS A 868 -12.266 -7.031 -8.429 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.912 -6.566 -5.600 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.351 -8.328 -6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.961 -9.034 -7.389 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.774 -10.699 -5.318 1.00 0.00 H new ATOM 283 N ASP A 869 -9.521 -6.632 -5.214 1.00 0.00 N ATOM 284 CA ASP A 869 -8.148 -6.812 -4.734 1.00 0.00 C ATOM 285 C ASP A 869 -7.903 -8.120 -3.956 1.00 0.00 C ATOM 286 O ASP A 869 -6.801 -8.313 -3.436 1.00 0.00 O ATOM 287 CB ASP A 869 -7.733 -5.582 -3.914 1.00 0.00 C ATOM 288 CG ASP A 869 -7.426 -4.330 -4.762 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.070 -4.455 -5.961 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.468 -3.207 -4.214 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.063 -5.990 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.517 -6.906 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.530 -5.343 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.851 -5.833 -3.325 1.00 0.00 H new ATOM 295 N ASP A 870 -8.876 -9.033 -3.881 1.00 0.00 N ATOM 296 CA ASP A 870 -8.651 -10.400 -3.389 1.00 0.00 C ATOM 297 C ASP A 870 -8.535 -11.432 -4.537 1.00 0.00 C ATOM 298 O ASP A 870 -7.780 -12.400 -4.418 1.00 0.00 O ATOM 299 CB ASP A 870 -9.740 -10.800 -2.378 1.00 0.00 C ATOM 300 CG ASP A 870 -9.361 -11.998 -1.476 1.00 0.00 C ATOM 301 OD1 ASP A 870 -8.160 -12.225 -1.191 1.00 0.00 O ATOM 302 OD2 ASP A 870 -10.283 -12.690 -0.981 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.840 -8.848 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.689 -10.404 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.966 -9.941 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.653 -11.044 -2.922 1.00 0.00 H new ATOM 307 N CYS A 871 -9.223 -11.197 -5.668 1.00 0.00 N ATOM 308 CA CYS A 871 -9.049 -11.915 -6.930 1.00 0.00 C ATOM 309 C CYS A 871 -8.778 -10.949 -8.122 1.00 0.00 C ATOM 310 O CYS A 871 -7.648 -10.494 -8.334 1.00 0.00 O ATOM 311 CB CYS A 871 -10.176 -12.980 -7.091 1.00 0.00 C ATOM 312 SG CYS A 871 -11.870 -12.414 -7.544 1.00 0.00 S ATOM 0 H CYS A 871 -9.940 -10.474 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.131 -12.503 -6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.852 -13.692 -7.850 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.251 -13.527 -6.151 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.662 -13.441 -7.632 1.00 0.00 H new ATOM 317 N PHE A 872 -9.825 -10.653 -8.887 1.00 0.00 N ATOM 318 CA PHE A 872 -9.858 -9.788 -10.074 1.00 0.00 C ATOM 319 C PHE A 872 -11.261 -9.298 -10.484 1.00 0.00 C ATOM 320 O PHE A 872 -11.359 -8.426 -11.346 1.00 0.00 O ATOM 321 CB PHE A 872 -9.257 -10.546 -11.267 1.00 0.00 C ATOM 322 CG PHE A 872 -10.128 -11.663 -11.825 1.00 0.00 C ATOM 323 CD1 PHE A 872 -11.117 -11.379 -12.790 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.973 -12.982 -11.357 1.00 0.00 C ATOM 325 CE1 PHE A 872 -11.951 -12.403 -13.274 1.00 0.00 C ATOM 326 CE2 PHE A 872 -10.802 -14.008 -11.849 1.00 0.00 C ATOM 327 CZ PHE A 872 -11.792 -13.718 -12.805 1.00 0.00 C ATOM 0 H PHE A 872 -10.746 -11.039 -8.681 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.283 -8.903 -9.802 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -9.052 -9.833 -12.065 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -8.299 -10.969 -10.964 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -11.234 -10.371 -13.159 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -9.217 -13.207 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -12.713 -12.179 -14.006 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -10.678 -15.020 -11.492 1.00 0.00 H new ATOM 0 HZ PHE A 872 -12.430 -14.506 -13.178 1.00 0.00 H new ATOM 337 N LYS A 873 -12.336 -9.880 -9.932 1.00 0.00 N ATOM 338 CA LYS A 873 -13.742 -9.628 -10.299 1.00 0.00 C ATOM 339 C LYS A 873 -14.073 -8.153 -10.506 1.00 0.00 C ATOM 340 O LYS A 873 -13.720 -7.308 -9.687 1.00 0.00 O ATOM 341 CB LYS A 873 -14.686 -10.195 -9.254 1.00 0.00 C ATOM 342 CG LYS A 873 -15.949 -10.619 -10.004 1.00 0.00 C ATOM 343 CD LYS A 873 -17.079 -10.951 -9.072 1.00 0.00 C ATOM 344 CE LYS A 873 -16.875 -12.333 -8.458 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.056 -13.406 -9.465 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.248 -10.569 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.879 -10.132 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.234 -11.044 -8.741 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.917 -9.450 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.257 -9.817 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.726 -11.486 -10.625 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -17.140 -10.201 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -18.025 -10.923 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.874 -12.398 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.581 -12.477 -7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -17.315 -14.292 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.811 -13.137 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -16.169 -13.543 -9.990 1.00 0.00 H new ATOM 359 N TRP A 874 -14.823 -7.873 -11.563 1.00 0.00 N ATOM 360 CA TRP A 874 -15.321 -6.543 -11.889 1.00 0.00 C ATOM 361 C TRP A 874 -16.795 -6.380 -11.501 1.00 0.00 C ATOM 362 O TRP A 874 -17.593 -7.305 -11.663 1.00 0.00 O ATOM 363 CB TRP A 874 -15.083 -6.268 -13.374 1.00 0.00 C ATOM 364 CG TRP A 874 -13.660 -6.432 -13.815 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.116 -7.519 -14.407 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.563 -5.493 -13.640 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.767 -7.306 -14.634 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.373 -6.071 -14.175 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.465 -4.194 -13.105 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.144 -5.396 -14.170 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.233 -3.520 -13.106 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.073 -4.106 -13.623 1.00 0.00 C ATOM 0 H TRP A 874 -15.110 -8.584 -12.236 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.773 -5.803 -11.305 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.712 -6.938 -13.960 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.405 -5.251 -13.599 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.654 -8.419 -14.664 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.146 -7.978 -15.084 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.340 -3.714 -12.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.262 -5.864 -14.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.180 -2.522 -12.696 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.134 -3.572 -13.601 1.00 0.00 H new ATOM 383 N ARG A 875 -17.168 -5.186 -11.032 1.00 0.00 N ATOM 384 CA ARG A 875 -18.542 -4.792 -10.661 1.00 0.00 C ATOM 385 C ARG A 875 -18.798 -3.337 -11.050 1.00 0.00 C ATOM 386 O ARG A 875 -17.934 -2.495 -10.814 1.00 0.00 O ATOM 387 CB ARG A 875 -18.760 -4.958 -9.144 1.00 0.00 C ATOM 388 CG ARG A 875 -18.787 -6.410 -8.634 1.00 0.00 C ATOM 389 CD ARG A 875 -19.873 -7.295 -9.254 1.00 0.00 C ATOM 390 NE ARG A 875 -21.231 -6.713 -9.145 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.240 -6.990 -9.951 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.156 -7.886 -10.881 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.382 -6.388 -9.868 1.00 0.00 N ATOM 0 H ARG A 875 -16.497 -4.431 -10.892 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.237 -5.439 -11.196 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.969 -4.422 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.702 -4.479 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.815 -6.865 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.924 -6.397 -7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.640 -7.463 -10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.862 -8.269 -8.765 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.400 -6.048 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.288 -8.406 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.957 -8.072 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.529 -5.669 -9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.135 -6.633 -10.511 1.00 0.00 H new ATOM 407 N ARG A 876 -19.972 -3.036 -11.616 1.00 0.00 N ATOM 408 CA ARG A 876 -20.419 -1.668 -11.945 1.00 0.00 C ATOM 409 C ARG A 876 -20.997 -1.001 -10.690 1.00 0.00 C ATOM 410 O ARG A 876 -21.891 -1.547 -10.044 1.00 0.00 O ATOM 411 CB ARG A 876 -21.389 -1.703 -13.148 1.00 0.00 C ATOM 412 CG ARG A 876 -21.174 -0.543 -14.140 1.00 0.00 C ATOM 413 CD ARG A 876 -21.615 0.821 -13.601 1.00 0.00 C ATOM 414 NE ARG A 876 -21.180 1.933 -14.472 1.00 0.00 N ATOM 415 CZ ARG A 876 -21.759 2.380 -15.574 1.00 0.00 C ATOM 416 NH1 ARG A 876 -22.829 1.833 -16.074 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -21.264 3.406 -16.203 1.00 0.00 N ATOM 0 H ARG A 876 -20.657 -3.749 -11.866 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.578 -1.051 -12.260 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.269 -2.649 -13.675 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.414 -1.671 -12.780 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.118 -0.494 -14.404 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.723 -0.755 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -22.701 0.839 -13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.206 0.964 -12.601 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.327 2.416 -14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.253 1.028 -15.613 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.244 2.210 -16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -20.427 3.868 -15.846 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -21.713 3.748 -17.053 1.00 0.00 H new ATOM 431 N ILE A 877 -20.463 0.168 -10.350 1.00 0.00 N ATOM 432 CA ILE A 877 -20.751 0.965 -9.149 1.00 0.00 C ATOM 433 C ILE A 877 -21.122 2.412 -9.520 1.00 0.00 C ATOM 434 O ILE A 877 -20.696 2.910 -10.568 1.00 0.00 O ATOM 435 CB ILE A 877 -19.535 0.942 -8.191 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.279 1.585 -8.834 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.280 -0.498 -7.702 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.109 1.794 -7.871 1.00 0.00 C ATOM 0 H ILE A 877 -19.768 0.620 -10.944 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.607 0.522 -8.641 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.766 1.555 -7.320 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.946 0.955 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.558 2.548 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.423 -0.507 -7.028 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.160 -0.864 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.076 -1.142 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.275 2.248 -8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.420 2.451 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.798 0.833 -7.462 1.00 0.00 H new ATOM 450 N PRO A 878 -21.861 3.142 -8.669 1.00 0.00 N ATOM 451 CA PRO A 878 -22.009 4.581 -8.833 1.00 0.00 C ATOM 452 C PRO A 878 -20.705 5.321 -8.502 1.00 0.00 C ATOM 453 O PRO A 878 -19.892 4.876 -7.686 1.00 0.00 O ATOM 454 CB PRO A 878 -23.151 4.973 -7.889 1.00 0.00 C ATOM 455 CG PRO A 878 -23.011 3.962 -6.750 1.00 0.00 C ATOM 456 CD PRO A 878 -22.552 2.691 -7.466 1.00 0.00 C ATOM 0 HA PRO A 878 -22.234 4.855 -9.864 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.049 5.999 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.123 4.900 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.284 4.290 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.955 3.811 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.889 2.102 -6.832 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.401 2.055 -7.717 1.00 0.00 H new ATOM 464 N ALA A 879 -20.542 6.509 -9.083 1.00 0.00 N ATOM 465 CA ALA A 879 -19.452 7.442 -8.776 1.00 0.00 C ATOM 466 C ALA A 879 -19.285 7.754 -7.273 1.00 0.00 C ATOM 467 O ALA A 879 -18.179 8.037 -6.815 1.00 0.00 O ATOM 468 CB ALA A 879 -19.721 8.744 -9.537 1.00 0.00 C ATOM 0 H ALA A 879 -21.179 6.860 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.522 6.964 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.925 9.459 -9.328 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.753 8.540 -10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.676 9.161 -9.218 1.00 0.00 H new ATOM 474 N SER A 880 -20.358 7.639 -6.485 1.00 0.00 N ATOM 475 CA SER A 880 -20.352 7.801 -5.023 1.00 0.00 C ATOM 476 C SER A 880 -19.443 6.786 -4.316 1.00 0.00 C ATOM 477 O SER A 880 -18.903 7.080 -3.247 1.00 0.00 O ATOM 478 CB SER A 880 -21.778 7.649 -4.477 1.00 0.00 C ATOM 479 OG SER A 880 -22.674 8.515 -5.160 1.00 0.00 O ATOM 0 H SER A 880 -21.284 7.424 -6.855 1.00 0.00 H new ATOM 0 HA SER A 880 -19.961 8.798 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.107 6.616 -4.589 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.790 7.874 -3.410 1.00 0.00 H new ATOM 0 HG SER A 880 -23.578 8.402 -4.798 1.00 0.00 H new ATOM 485 N VAL A 881 -19.232 5.609 -4.923 1.00 0.00 N ATOM 486 CA VAL A 881 -18.269 4.597 -4.463 1.00 0.00 C ATOM 487 C VAL A 881 -16.912 4.803 -5.121 1.00 0.00 C ATOM 488 O VAL A 881 -15.892 4.717 -4.440 1.00 0.00 O ATOM 489 CB VAL A 881 -18.809 3.167 -4.689 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.835 2.057 -4.277 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.106 2.942 -3.898 1.00 0.00 C ATOM 0 H VAL A 881 -19.736 5.328 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.133 4.720 -3.389 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.971 3.103 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.290 1.085 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.915 2.147 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.607 2.149 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.468 1.929 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.912 3.080 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.860 3.658 -4.225 1.00 0.00 H new ATOM 501 N VAL A 882 -16.864 5.168 -6.407 1.00 0.00 N ATOM 502 CA VAL A 882 -15.567 5.366 -7.091 1.00 0.00 C ATOM 503 C VAL A 882 -14.789 6.583 -6.555 1.00 0.00 C ATOM 504 O VAL A 882 -13.570 6.662 -6.699 1.00 0.00 O ATOM 505 CB VAL A 882 -15.702 5.373 -8.630 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.768 6.772 -9.252 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.510 4.640 -9.258 1.00 0.00 C ATOM 0 H VAL A 882 -17.685 5.331 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.961 4.494 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.650 4.876 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.862 6.685 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.631 7.307 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.858 7.321 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.609 4.647 -10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.584 5.141 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.488 3.610 -8.903 1.00 0.00 H new ATOM 517 N GLY A 883 -15.485 7.509 -5.890 1.00 0.00 N ATOM 518 CA GLY A 883 -14.898 8.638 -5.157 1.00 0.00 C ATOM 519 C GLY A 883 -14.393 8.281 -3.748 1.00 0.00 C ATOM 520 O GLY A 883 -13.592 9.023 -3.179 1.00 0.00 O ATOM 0 H GLY A 883 -16.504 7.495 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -14.068 9.041 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.643 9.430 -5.074 1.00 0.00 H new ATOM 524 N SER A 884 -14.840 7.150 -3.189 1.00 0.00 N ATOM 525 CA SER A 884 -14.388 6.605 -1.898 1.00 0.00 C ATOM 526 C SER A 884 -13.219 5.620 -2.063 1.00 0.00 C ATOM 527 O SER A 884 -12.250 5.661 -1.300 1.00 0.00 O ATOM 528 CB SER A 884 -15.576 5.930 -1.200 1.00 0.00 C ATOM 529 OG SER A 884 -15.206 5.442 0.078 1.00 0.00 O ATOM 0 H SER A 884 -15.549 6.568 -3.635 1.00 0.00 H new ATOM 0 HA SER A 884 -14.017 7.427 -1.286 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.395 6.642 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.944 5.108 -1.814 1.00 0.00 H new ATOM 0 HG SER A 884 -15.980 5.018 0.503 1.00 0.00 H new ATOM 535 N ILE A 885 -13.284 4.761 -3.087 1.00 0.00 N ATOM 536 CA ILE A 885 -12.241 3.787 -3.444 1.00 0.00 C ATOM 537 C ILE A 885 -11.090 4.509 -4.166 1.00 0.00 C ATOM 538 O ILE A 885 -11.265 5.055 -5.256 1.00 0.00 O ATOM 539 CB ILE A 885 -12.858 2.636 -4.283 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.596 1.572 -3.434 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.814 1.855 -5.102 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.676 2.093 -2.483 1.00 0.00 C ATOM 0 H ILE A 885 -14.090 4.722 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.822 3.331 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.556 3.164 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.055 0.852 -4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.855 1.029 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.310 1.065 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.312 2.533 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.079 1.414 -4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.121 1.256 -1.944 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.230 2.787 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.448 2.607 -3.056 1.00 0.00 H new ATOM 603 N ARG A 890 -8.542 -1.400 -0.682 1.00 0.00 N ATOM 604 CA ARG A 890 -8.772 -2.844 -0.882 1.00 0.00 C ATOM 605 C ARG A 890 -10.267 -3.181 -0.964 1.00 0.00 C ATOM 606 O ARG A 890 -10.856 -3.736 -0.036 1.00 0.00 O ATOM 607 CB ARG A 890 -8.013 -3.620 0.205 1.00 0.00 C ATOM 608 CG ARG A 890 -7.892 -5.123 -0.104 1.00 0.00 C ATOM 609 CD ARG A 890 -7.127 -5.888 0.983 1.00 0.00 C ATOM 610 NE ARG A 890 -5.695 -5.518 1.022 1.00 0.00 N ATOM 611 CZ ARG A 890 -4.788 -5.973 1.869 1.00 0.00 C ATOM 612 NH1 ARG A 890 -5.079 -6.845 2.794 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -3.556 -5.560 1.800 1.00 0.00 N ATOM 0 HA ARG A 890 -8.375 -3.155 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -7.015 -3.196 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.523 -3.491 1.160 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.889 -5.550 -0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -7.386 -5.254 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -7.579 -5.686 1.954 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.219 -6.959 0.805 1.00 0.00 H new ATOM 0 HE ARG A 890 -5.376 -4.844 0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.032 -7.198 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -4.353 -7.174 3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -3.285 -4.881 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -2.861 -5.915 2.457 1.00 0.00 H new ATOM 627 N TRP A 891 -10.876 -2.816 -2.086 1.00 0.00 N ATOM 628 CA TRP A 891 -12.245 -3.210 -2.449 1.00 0.00 C ATOM 629 C TRP A 891 -12.249 -4.669 -2.921 1.00 0.00 C ATOM 630 O TRP A 891 -11.367 -5.055 -3.692 1.00 0.00 O ATOM 631 CB TRP A 891 -12.816 -2.269 -3.515 1.00 0.00 C ATOM 632 CG TRP A 891 -14.289 -2.411 -3.771 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.224 -1.567 -3.290 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.034 -3.434 -4.510 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.475 -1.930 -3.735 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.428 -3.126 -4.415 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.687 -4.602 -5.227 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.425 -3.957 -4.940 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.680 -5.447 -5.759 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.039 -5.137 -5.592 1.00 0.00 C ATOM 0 H TRP A 891 -10.429 -2.226 -2.788 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.889 -3.130 -1.573 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.613 -1.241 -3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.283 -2.439 -4.450 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.020 -0.724 -2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.324 -1.385 -3.581 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.645 -4.850 -5.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.468 -3.695 -4.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.395 -6.338 -6.298 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.793 -5.812 -5.969 1.00 0.00 H new ATOM 651 N ILE A 892 -13.208 -5.486 -2.471 1.00 0.00 N ATOM 652 CA ILE A 892 -13.256 -6.932 -2.758 1.00 0.00 C ATOM 653 C ILE A 892 -14.690 -7.450 -2.970 1.00 0.00 C ATOM 654 O ILE A 892 -15.653 -6.817 -2.532 1.00 0.00 O ATOM 655 CB ILE A 892 -12.558 -7.719 -1.625 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.330 -7.577 -0.296 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.079 -7.320 -1.452 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.990 -8.653 0.719 1.00 0.00 C ATOM 0 H ILE A 892 -13.982 -5.163 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.724 -7.092 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.567 -8.769 -1.918 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.116 -6.600 0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.400 -7.607 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.637 -7.903 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.539 -7.516 -2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.014 -6.259 -1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.569 -8.491 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.230 -9.632 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.926 -8.609 0.953 1.00 0.00 H new ATOM 670 N CYS A 893 -14.847 -8.654 -3.533 1.00 0.00 N ATOM 671 CA CYS A 893 -16.140 -9.325 -3.638 1.00 0.00 C ATOM 672 C CYS A 893 -16.925 -9.352 -2.301 1.00 0.00 C ATOM 673 O CYS A 893 -18.109 -9.030 -2.293 1.00 0.00 O ATOM 674 CB CYS A 893 -15.961 -10.745 -4.197 1.00 0.00 C ATOM 675 SG CYS A 893 -15.243 -10.781 -5.871 1.00 0.00 S ATOM 0 H CYS A 893 -14.074 -9.189 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.743 -8.739 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.321 -11.314 -3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.929 -11.245 -4.215 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.008 -10.377 -5.822 1.00 0.00 H new ATOM 680 N MET A 894 -16.305 -9.722 -1.170 1.00 0.00 N ATOM 681 CA MET A 894 -17.044 -9.899 0.094 1.00 0.00 C ATOM 682 C MET A 894 -17.680 -8.587 0.607 1.00 0.00 C ATOM 683 O MET A 894 -18.710 -8.628 1.282 1.00 0.00 O ATOM 684 CB MET A 894 -16.127 -10.598 1.114 1.00 0.00 C ATOM 685 CG MET A 894 -16.567 -10.560 2.582 1.00 0.00 C ATOM 686 SD MET A 894 -16.172 -9.021 3.466 1.00 0.00 S ATOM 687 CE MET A 894 -16.882 -9.418 5.087 1.00 0.00 C ATOM 0 H MET A 894 -15.304 -9.903 -1.102 1.00 0.00 H new ATOM 0 HA MET A 894 -17.904 -10.545 -0.079 1.00 0.00 H new ATOM 0 HB2 MET A 894 -16.024 -11.642 0.818 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.137 -10.147 1.045 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.644 -10.720 2.627 1.00 0.00 H new ATOM 0 HG3 MET A 894 -16.099 -11.393 3.107 1.00 0.00 H new ATOM 0 HE1 MET A 894 -16.731 -8.579 5.766 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.949 -9.610 4.979 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.393 -10.304 5.491 1.00 0.00 H new ATOM 697 N ASN A 895 -17.129 -7.421 0.236 1.00 0.00 N ATOM 698 CA ASN A 895 -17.667 -6.105 0.608 1.00 0.00 C ATOM 699 C ASN A 895 -18.727 -5.546 -0.363 1.00 0.00 C ATOM 700 O ASN A 895 -19.314 -4.494 -0.112 1.00 0.00 O ATOM 701 CB ASN A 895 -16.500 -5.141 0.881 1.00 0.00 C ATOM 702 CG ASN A 895 -15.688 -4.576 -0.270 1.00 0.00 C ATOM 703 OD1 ASN A 895 -14.487 -4.407 -0.164 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.263 -4.229 -1.391 1.00 0.00 N ATOM 0 H ASN A 895 -16.287 -7.366 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.238 -6.227 1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.904 -4.295 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.805 -5.656 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -15.707 -3.829 -2.147 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -17.268 -4.358 -1.510 1.00 0.00 H new ATOM 711 N ASN A 896 -18.925 -6.220 -1.494 1.00 0.00 N ATOM 712 CA ASN A 896 -19.910 -5.882 -2.533 1.00 0.00 C ATOM 713 C ASN A 896 -21.337 -5.761 -1.955 1.00 0.00 C ATOM 714 O ASN A 896 -21.793 -6.612 -1.186 1.00 0.00 O ATOM 715 CB ASN A 896 -19.855 -6.940 -3.656 1.00 0.00 C ATOM 716 CG ASN A 896 -20.737 -6.669 -4.865 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.352 -5.627 -5.025 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.851 -7.625 -5.755 1.00 0.00 N ATOM 0 H ASN A 896 -18.383 -7.052 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.655 -4.906 -2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.823 -7.029 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.136 -7.905 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.449 -7.494 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.342 -8.500 -5.632 1.00 0.00 H new ATOM 725 N SER A 897 -22.056 -4.724 -2.383 1.00 0.00 N ATOM 726 CA SER A 897 -23.479 -4.501 -2.097 1.00 0.00 C ATOM 727 C SER A 897 -24.388 -5.621 -2.613 1.00 0.00 C ATOM 728 O SER A 897 -25.331 -6.035 -1.937 1.00 0.00 O ATOM 729 CB SER A 897 -23.915 -3.214 -2.801 1.00 0.00 C ATOM 730 OG SER A 897 -23.332 -2.069 -2.194 1.00 0.00 O ATOM 0 H SER A 897 -21.651 -3.987 -2.960 1.00 0.00 H new ATOM 0 HA SER A 897 -23.578 -4.455 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.628 -3.257 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 897 -25.001 -3.131 -2.771 1.00 0.00 H new ATOM 0 HG SER A 897 -23.627 -1.262 -2.666 1.00 0.00 H new ATOM 736 N ASP A 898 -24.116 -6.093 -3.827 1.00 0.00 N ATOM 737 CA ASP A 898 -24.955 -7.059 -4.544 1.00 0.00 C ATOM 738 C ASP A 898 -24.616 -8.499 -4.143 1.00 0.00 C ATOM 739 O ASP A 898 -23.652 -9.094 -4.628 1.00 0.00 O ATOM 740 CB ASP A 898 -24.847 -6.879 -6.069 1.00 0.00 C ATOM 741 CG ASP A 898 -24.965 -5.426 -6.566 1.00 0.00 C ATOM 742 OD1 ASP A 898 -24.221 -5.065 -7.509 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.820 -4.661 -6.059 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.289 -5.811 -4.354 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.988 -6.863 -4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.890 -7.283 -6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.626 -7.474 -6.545 1.00 0.00 H new ATOM 748 N LYS A 899 -25.459 -9.088 -3.294 1.00 0.00 N ATOM 749 CA LYS A 899 -25.309 -10.443 -2.726 1.00 0.00 C ATOM 750 C LYS A 899 -25.243 -11.551 -3.791 1.00 0.00 C ATOM 751 O LYS A 899 -24.671 -12.612 -3.541 1.00 0.00 O ATOM 752 CB LYS A 899 -26.459 -10.707 -1.735 1.00 0.00 C ATOM 753 CG LYS A 899 -26.490 -9.733 -0.544 1.00 0.00 C ATOM 754 CD LYS A 899 -25.553 -10.192 0.577 1.00 0.00 C ATOM 755 CE LYS A 899 -26.178 -11.348 1.370 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.283 -11.814 2.463 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.303 -8.620 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.350 -10.474 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.407 -10.644 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.373 -11.726 -1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.199 -8.737 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.508 -9.656 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.600 -10.509 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.343 -9.358 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.130 -11.027 1.792 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.392 -12.178 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.739 -12.595 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.384 -12.144 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.100 -11.029 3.120 1.00 0.00 H new ATOM 770 N ARG A 900 -25.755 -11.276 -4.998 1.00 0.00 N ATOM 771 CA ARG A 900 -25.639 -12.119 -6.205 1.00 0.00 C ATOM 772 C ARG A 900 -24.197 -12.282 -6.703 1.00 0.00 C ATOM 773 O ARG A 900 -23.883 -13.285 -7.343 1.00 0.00 O ATOM 774 CB ARG A 900 -26.483 -11.486 -7.322 1.00 0.00 C ATOM 775 CG ARG A 900 -27.995 -11.670 -7.117 1.00 0.00 C ATOM 776 CD ARG A 900 -28.804 -10.976 -8.222 1.00 0.00 C ATOM 777 NE ARG A 900 -28.556 -11.572 -9.552 1.00 0.00 N ATOM 778 CZ ARG A 900 -28.802 -11.020 -10.728 1.00 0.00 C ATOM 779 NH1 ARG A 900 -29.335 -9.837 -10.843 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -28.512 -11.657 -11.826 1.00 0.00 N ATOM 0 H ARG A 900 -26.286 -10.423 -5.172 1.00 0.00 H new ATOM 0 HA ARG A 900 -25.993 -13.115 -5.939 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.258 -10.421 -7.380 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.197 -11.925 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.234 -12.733 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.283 -11.266 -6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.867 -11.042 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.548 -9.917 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.152 -12.509 -9.564 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.577 -9.304 -10.008 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -29.510 -9.444 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.093 -12.586 -11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -28.704 -11.227 -12.731 1.00 0.00 H new ATOM 794 N PHE A 901 -23.329 -11.310 -6.408 1.00 0.00 N ATOM 795 CA PHE A 901 -21.946 -11.222 -6.898 1.00 0.00 C ATOM 796 C PHE A 901 -20.918 -10.903 -5.793 1.00 0.00 C ATOM 797 O PHE A 901 -19.803 -10.468 -6.072 1.00 0.00 O ATOM 798 CB PHE A 901 -21.864 -10.222 -8.068 1.00 0.00 C ATOM 799 CG PHE A 901 -22.893 -10.382 -9.174 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.154 -9.765 -9.062 1.00 0.00 C ATOM 801 CD2 PHE A 901 -22.569 -11.075 -10.354 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.097 -9.884 -10.099 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.509 -11.194 -11.393 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.778 -10.607 -11.261 1.00 0.00 C ATOM 0 H PHE A 901 -23.578 -10.532 -5.798 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.671 -12.213 -7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.955 -9.215 -7.662 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.872 -10.299 -8.512 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.398 -9.198 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -21.591 -11.519 -10.463 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.067 -9.419 -10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.255 -11.736 -12.292 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.507 -10.711 -12.051 1.00 0.00 H new ATOM 814 N ALA A 902 -21.298 -11.083 -4.527 1.00 0.00 N ATOM 815 CA ALA A 902 -20.511 -10.753 -3.338 1.00 0.00 C ATOM 816 C ALA A 902 -19.605 -11.895 -2.816 1.00 0.00 C ATOM 817 O ALA A 902 -19.365 -12.015 -1.615 1.00 0.00 O ATOM 818 CB ALA A 902 -21.454 -10.164 -2.273 1.00 0.00 C ATOM 0 H ALA A 902 -22.207 -11.482 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.776 -9.998 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.882 -9.913 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.929 -9.265 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.220 -10.897 -2.019 1.00 0.00 H new ATOM 824 N ASP A 903 -19.087 -12.734 -3.717 1.00 0.00 N ATOM 825 CA ASP A 903 -18.004 -13.693 -3.451 1.00 0.00 C ATOM 826 C ASP A 903 -17.162 -13.946 -4.699 1.00 0.00 C ATOM 827 O ASP A 903 -17.674 -13.959 -5.818 1.00 0.00 O ATOM 828 CB ASP A 903 -18.531 -15.006 -2.833 1.00 0.00 C ATOM 829 CG ASP A 903 -18.490 -15.047 -1.291 1.00 0.00 C ATOM 830 OD1 ASP A 903 -17.452 -14.675 -0.690 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.466 -15.544 -0.676 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.417 -12.768 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.349 -13.240 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.559 -15.161 -3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -17.944 -15.838 -3.222 1.00 0.00 H new ATOM 836 N CYS A 904 -15.873 -14.224 -4.493 1.00 0.00 N ATOM 837 CA CYS A 904 -14.907 -14.599 -5.519 1.00 0.00 C ATOM 838 C CYS A 904 -15.375 -15.825 -6.364 1.00 0.00 C ATOM 839 O CYS A 904 -14.875 -16.061 -7.466 1.00 0.00 O ATOM 840 CB CYS A 904 -13.564 -14.823 -4.786 1.00 0.00 C ATOM 841 SG CYS A 904 -13.020 -13.347 -3.838 1.00 0.00 S ATOM 0 H CYS A 904 -15.458 -14.191 -3.562 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.797 -13.811 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.662 -15.670 -4.107 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.797 -15.085 -5.514 1.00 0.00 H new ATOM 0 HG CYS A 904 -13.565 -12.281 -4.345 1.00 0.00 H new ATOM 846 N SER A 905 -16.344 -16.589 -5.840 1.00 0.00 N ATOM 847 CA SER A 905 -16.943 -17.784 -6.457 1.00 0.00 C ATOM 848 C SER A 905 -18.174 -17.477 -7.321 1.00 0.00 C ATOM 849 O SER A 905 -18.619 -18.341 -8.081 1.00 0.00 O ATOM 850 CB SER A 905 -17.362 -18.777 -5.366 1.00 0.00 C ATOM 851 OG SER A 905 -16.269 -19.125 -4.527 1.00 0.00 O ATOM 0 H SER A 905 -16.753 -16.381 -4.929 1.00 0.00 H new ATOM 0 HA SER A 905 -16.176 -18.202 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.159 -18.342 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.767 -19.677 -5.829 1.00 0.00 H new ATOM 0 HG SER A 905 -16.571 -19.758 -3.842 1.00 0.00 H new ATOM 857 N LYS A 906 -18.758 -16.274 -7.193 1.00 0.00 N ATOM 858 CA LYS A 906 -19.957 -15.851 -7.946 1.00 0.00 C ATOM 859 C LYS A 906 -19.689 -15.548 -9.435 1.00 0.00 C ATOM 860 O LYS A 906 -18.570 -15.707 -9.925 1.00 0.00 O ATOM 861 CB LYS A 906 -20.548 -14.624 -7.240 1.00 0.00 C ATOM 862 CG LYS A 906 -21.118 -14.850 -5.832 1.00 0.00 C ATOM 863 CD LYS A 906 -22.288 -15.843 -5.735 1.00 0.00 C ATOM 864 CE LYS A 906 -21.817 -17.280 -5.455 1.00 0.00 C ATOM 865 NZ LYS A 906 -22.966 -18.217 -5.340 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.409 -15.557 -6.557 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.660 -16.684 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.772 -13.861 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.341 -14.219 -7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.313 -15.202 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.447 -13.890 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -22.966 -15.525 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.855 -15.824 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.156 -17.610 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.236 -17.300 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -22.613 -19.177 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.583 -17.915 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.506 -18.215 -6.229 1.00 0.00 H new ATOM 879 N SER A 907 -20.719 -15.072 -10.140 1.00 0.00 N ATOM 880 CA SER A 907 -20.687 -14.671 -11.559 1.00 0.00 C ATOM 881 C SER A 907 -20.115 -13.247 -11.777 1.00 0.00 C ATOM 882 O SER A 907 -19.415 -12.723 -10.909 1.00 0.00 O ATOM 883 CB SER A 907 -22.104 -14.857 -12.128 1.00 0.00 C ATOM 884 OG SER A 907 -22.120 -14.791 -13.546 1.00 0.00 O ATOM 0 H SER A 907 -21.642 -14.948 -9.723 1.00 0.00 H new ATOM 0 HA SER A 907 -19.992 -15.308 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 907 -22.501 -15.819 -11.805 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.762 -14.089 -11.722 1.00 0.00 H new ATOM 0 HG SER A 907 -23.037 -14.915 -13.869 1.00 0.00 H new ATOM 890 N GLN A 908 -20.401 -12.614 -12.920 1.00 0.00 N ATOM 891 CA GLN A 908 -20.064 -11.227 -13.306 1.00 0.00 C ATOM 892 C GLN A 908 -21.092 -10.703 -14.341 1.00 0.00 C ATOM 893 O GLN A 908 -21.703 -11.514 -15.039 1.00 0.00 O ATOM 894 CB GLN A 908 -18.624 -11.208 -13.858 1.00 0.00 C ATOM 895 CG GLN A 908 -18.035 -9.803 -14.052 1.00 0.00 C ATOM 896 CD GLN A 908 -16.507 -9.848 -14.157 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.787 -10.091 -13.198 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.951 -9.625 -15.322 1.00 0.00 N ATOM 0 H GLN A 908 -20.914 -13.090 -13.662 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.112 -10.563 -12.443 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -17.981 -11.767 -13.179 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.608 -11.730 -14.815 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.450 -9.354 -14.954 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.325 -9.166 -13.216 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.533 -9.421 -16.134 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.936 -9.656 -15.417 1.00 0.00 H new ATOM 907 N GLU A 909 -21.309 -9.382 -14.481 1.00 0.00 N ATOM 908 CA GLU A 909 -22.269 -8.866 -15.486 1.00 0.00 C ATOM 909 C GLU A 909 -21.805 -9.149 -16.928 1.00 0.00 C ATOM 910 O GLU A 909 -22.614 -9.523 -17.780 1.00 0.00 O ATOM 911 CB GLU A 909 -22.473 -7.347 -15.359 1.00 0.00 C ATOM 912 CG GLU A 909 -22.993 -6.804 -14.024 1.00 0.00 C ATOM 913 CD GLU A 909 -24.347 -7.378 -13.556 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.568 -7.404 -12.322 1.00 0.00 O ATOM 915 OE2 GLU A 909 -25.199 -7.768 -14.392 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.846 -8.662 -13.926 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.204 -9.389 -15.285 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.519 -6.863 -15.569 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.167 -7.036 -16.140 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.247 -7.005 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.085 -5.721 -14.103 1.00 0.00 H new ATOM 922 N MET A 910 -20.498 -8.999 -17.187 1.00 0.00 N ATOM 923 CA MET A 910 -19.858 -9.262 -18.488 1.00 0.00 C ATOM 924 C MET A 910 -18.457 -9.846 -18.285 1.00 0.00 C ATOM 925 O MET A 910 -17.730 -9.367 -17.415 1.00 0.00 O ATOM 926 CB MET A 910 -19.727 -7.972 -19.324 1.00 0.00 C ATOM 927 CG MET A 910 -21.046 -7.310 -19.740 1.00 0.00 C ATOM 928 SD MET A 910 -21.668 -6.044 -18.599 1.00 0.00 S ATOM 929 CE MET A 910 -23.226 -5.630 -19.427 1.00 0.00 C ATOM 0 H MET A 910 -19.836 -8.682 -16.478 1.00 0.00 H new ATOM 0 HA MET A 910 -20.492 -9.972 -19.019 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.144 -7.249 -18.753 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.157 -8.201 -20.225 1.00 0.00 H new ATOM 0 HG2 MET A 910 -20.913 -6.857 -20.722 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.805 -8.085 -19.847 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.747 -4.859 -18.858 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.018 -5.261 -20.431 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.852 -6.520 -19.490 1.00 0.00 H new ATOM 939 N SER A 911 -18.038 -10.830 -19.088 1.00 0.00 N ATOM 940 CA SER A 911 -16.658 -11.358 -19.058 1.00 0.00 C ATOM 941 C SER A 911 -15.645 -10.274 -19.422 1.00 0.00 C ATOM 942 O SER A 911 -15.981 -9.307 -20.105 1.00 0.00 O ATOM 943 CB SER A 911 -16.463 -12.546 -20.005 1.00 0.00 C ATOM 944 OG SER A 911 -17.590 -13.411 -20.009 1.00 0.00 O ATOM 0 H SER A 911 -18.638 -11.285 -19.776 1.00 0.00 H new ATOM 0 HA SER A 911 -16.491 -11.698 -18.036 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.283 -12.179 -21.016 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.577 -13.106 -19.707 1.00 0.00 H new ATOM 0 HG SER A 911 -17.429 -14.155 -20.626 1.00 0.00 H new ATOM 950 N ASN A 912 -14.392 -10.429 -18.993 1.00 0.00 N ATOM 951 CA ASN A 912 -13.420 -9.321 -18.967 1.00 0.00 C ATOM 952 C ASN A 912 -13.130 -8.741 -20.363 1.00 0.00 C ATOM 953 O ASN A 912 -12.918 -7.539 -20.504 1.00 0.00 O ATOM 954 CB ASN A 912 -12.114 -9.751 -18.266 1.00 0.00 C ATOM 955 CG ASN A 912 -12.257 -10.188 -16.817 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.331 -10.297 -16.248 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.152 -10.438 -16.158 1.00 0.00 N ATOM 0 H ASN A 912 -14.019 -11.316 -18.655 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.880 -8.519 -18.390 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.673 -10.571 -18.832 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.410 -8.920 -18.308 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.195 -10.721 -15.179 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.249 -10.350 -16.624 1.00 0.00 H new ATOM 964 N GLU A 913 -13.180 -9.587 -21.394 1.00 0.00 N ATOM 965 CA GLU A 913 -13.034 -9.193 -22.804 1.00 0.00 C ATOM 966 C GLU A 913 -14.253 -8.415 -23.343 1.00 0.00 C ATOM 967 O GLU A 913 -14.118 -7.572 -24.225 1.00 0.00 O ATOM 968 CB GLU A 913 -12.768 -10.468 -23.625 1.00 0.00 C ATOM 969 CG GLU A 913 -12.515 -10.203 -25.119 1.00 0.00 C ATOM 970 CD GLU A 913 -11.972 -11.440 -25.873 1.00 0.00 C ATOM 971 OE1 GLU A 913 -11.162 -11.265 -26.816 1.00 0.00 O ATOM 972 OE2 GLU A 913 -12.357 -12.595 -25.558 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.326 -10.589 -21.273 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.196 -8.501 -22.893 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.905 -10.985 -23.206 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.621 -11.139 -23.524 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.445 -9.880 -25.587 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -11.805 -9.383 -25.221 1.00 0.00 H new ATOM 979 N GLU A 914 -15.446 -8.662 -22.798 1.00 0.00 N ATOM 980 CA GLU A 914 -16.695 -8.003 -23.202 1.00 0.00 C ATOM 981 C GLU A 914 -16.871 -6.637 -22.519 1.00 0.00 C ATOM 982 O GLU A 914 -17.320 -5.688 -23.166 1.00 0.00 O ATOM 983 CB GLU A 914 -17.894 -8.920 -22.897 1.00 0.00 C ATOM 984 CG GLU A 914 -17.859 -10.283 -23.609 1.00 0.00 C ATOM 985 CD GLU A 914 -17.773 -10.193 -25.151 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.445 -9.329 -25.766 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.062 -11.022 -25.768 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.576 -9.340 -22.047 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.645 -7.821 -24.276 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.940 -9.089 -21.821 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.811 -8.402 -23.178 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.004 -10.850 -23.241 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.753 -10.844 -23.339 1.00 0.00 H new ATOM 994 N ILE A 915 -16.469 -6.497 -21.245 1.00 0.00 N ATOM 995 CA ILE A 915 -16.387 -5.181 -20.588 1.00 0.00 C ATOM 996 C ILE A 915 -15.271 -4.323 -21.206 1.00 0.00 C ATOM 997 O ILE A 915 -15.543 -3.222 -21.672 1.00 0.00 O ATOM 998 CB ILE A 915 -16.349 -5.269 -19.035 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.925 -3.950 -18.357 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.469 -6.382 -18.461 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.850 -2.802 -18.730 1.00 0.00 C ATOM 0 H ILE A 915 -16.196 -7.279 -20.649 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.320 -4.655 -20.790 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.389 -5.501 -18.804 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.926 -4.081 -17.275 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.904 -3.703 -18.648 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.513 -6.356 -17.372 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.827 -7.348 -18.815 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.439 -6.236 -18.786 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.518 -1.891 -18.232 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.829 -2.654 -19.810 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.867 -3.037 -18.416 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.025 -4.795 -21.270 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.911 -3.979 -21.794 1.00 0.00 C ATOM 1015 C ASN A 916 -13.125 -3.475 -23.244 1.00 0.00 C ATOM 1016 O ASN A 916 -12.657 -2.389 -23.584 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.553 -4.668 -21.551 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.138 -5.782 -22.508 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -11.419 -5.799 -23.695 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.391 -6.745 -22.021 1.00 0.00 N ATOM 0 H ASN A 916 -13.755 -5.732 -20.969 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.895 -3.056 -21.215 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.779 -3.901 -21.575 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.562 -5.080 -20.542 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.056 -7.490 -22.632 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -10.145 -6.749 -21.031 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.918 -4.180 -24.054 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.427 -3.717 -25.357 1.00 0.00 C ATOM 1029 C GLU A 917 -15.409 -2.528 -25.266 1.00 0.00 C ATOM 1030 O GLU A 917 -15.377 -1.637 -26.116 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.114 -4.891 -26.072 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.159 -5.684 -26.978 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.706 -4.889 -28.224 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.569 -4.420 -29.008 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.480 -4.747 -28.450 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.237 -5.120 -23.818 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.564 -3.356 -25.916 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.541 -5.563 -25.328 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.942 -4.511 -26.671 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.281 -5.977 -26.402 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.651 -6.602 -27.299 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.260 -2.479 -24.237 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.181 -1.362 -23.954 1.00 0.00 C ATOM 1044 C GLU A 918 -16.439 -0.066 -23.583 1.00 0.00 C ATOM 1045 O GLU A 918 -16.885 1.030 -23.926 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.151 -1.750 -22.816 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.445 -0.922 -22.797 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.387 -1.287 -23.967 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.231 -2.203 -23.808 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.290 -0.669 -25.055 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.333 -3.234 -23.555 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.739 -1.168 -24.870 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.407 -2.805 -22.913 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.641 -1.632 -21.860 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.963 -1.082 -21.852 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.197 0.138 -22.849 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.287 -0.177 -22.909 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.381 0.949 -22.646 1.00 0.00 C ATOM 1059 C LEU A 919 -13.490 1.268 -23.863 1.00 0.00 C ATOM 1060 O LEU A 919 -13.267 2.438 -24.178 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.525 0.620 -21.414 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.343 0.493 -20.111 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.080 -0.858 -19.455 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -13.995 1.590 -19.128 1.00 0.00 C ATOM 0 H LEU A 919 -14.954 -1.062 -22.526 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.978 1.840 -22.454 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -12.992 -0.314 -21.591 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.772 1.398 -21.286 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.396 0.582 -20.377 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.662 -0.936 -18.537 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.370 -1.657 -20.138 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.019 -0.948 -19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.590 1.469 -18.223 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -12.936 1.531 -18.877 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.208 2.561 -19.576 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.028 0.233 -24.569 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.145 0.316 -25.741 1.00 0.00 C ATOM 1078 C GLY A 920 -10.657 0.160 -25.393 1.00 0.00 C ATOM 1079 O GLY A 920 -9.819 0.885 -25.934 1.00 0.00 O ATOM 0 H GLY A 920 -13.268 -0.729 -24.331 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.427 -0.458 -26.455 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.297 1.276 -26.234 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.337 -0.736 -24.451 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.024 -0.862 -23.786 1.00 0.00 C ATOM 1085 C ILE A 921 -8.557 -2.326 -23.654 1.00 0.00 C ATOM 1086 O ILE A 921 -9.306 -3.265 -23.922 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.048 -0.155 -22.406 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -9.970 -0.899 -21.413 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.397 1.335 -22.556 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.123 -0.209 -20.056 1.00 0.00 C ATOM 0 H ILE A 921 -11.010 -1.424 -24.114 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.293 -0.366 -24.424 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.046 -0.194 -21.978 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -10.956 -1.009 -21.864 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.578 -1.904 -21.254 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.407 1.807 -21.574 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.652 1.822 -23.185 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.380 1.434 -23.016 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -10.786 -0.797 -19.421 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.146 -0.123 -19.580 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.546 0.785 -20.199 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.770 3.034 -16.094 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.104 3.657 -16.073 1.00 0.00 C ATOM 1264 C GLN B 5 -15.784 3.747 -17.457 1.00 0.00 C ATOM 1265 O GLN B 5 -15.364 4.490 -18.344 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.022 5.015 -15.343 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.607 6.296 -16.101 1.00 0.00 C ATOM 1268 CD GLN B 5 -13.273 6.276 -16.860 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -13.015 7.278 -17.673 1.00 0.00 O flip ATOM 1270 NE2 GLN B 5 -12.425 5.405 -16.728 1.00 0.00 N flip ATOM 0 HA GLN B 5 -15.768 2.998 -15.513 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.003 5.204 -14.907 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.324 4.892 -14.515 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -15.396 6.533 -16.815 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.571 7.114 -15.382 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -12.597 4.616 -16.105 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -11.546 5.467 -17.241 1.00 0.00 H new ATOM 1279 N THR B 6 -16.854 2.968 -17.644 1.00 0.00 N ATOM 1280 CA THR B 6 -17.685 2.948 -18.865 1.00 0.00 C ATOM 1281 C THR B 6 -18.516 4.226 -19.033 1.00 0.00 C ATOM 1282 O THR B 6 -19.211 4.648 -18.108 1.00 0.00 O ATOM 1283 CB THR B 6 -18.646 1.744 -18.887 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.166 1.472 -17.605 1.00 0.00 O ATOM 1285 CG2 THR B 6 -17.969 0.467 -19.363 1.00 0.00 C ATOM 0 H THR B 6 -17.180 2.313 -16.933 1.00 0.00 H new ATOM 0 HA THR B 6 -16.977 2.871 -19.690 1.00 0.00 H new ATOM 0 HB THR B 6 -19.439 2.028 -19.579 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.985 0.941 -17.690 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.690 -0.350 -19.360 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.589 0.612 -20.374 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.142 0.224 -18.696 1.00 0.00 H new