USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 912 ASN : amide:sc= -1.2! C(o=-0.84!,f=-4.1!) USER MOD Set 1.2: A 916 ASN : amide:sc= 0.365 K(o=-0.84,f=-4.1!) USER MOD Set 2.1: A 868 CYS SG : rot -142:sc= 0.284 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 0.0149 USER MOD Set 2.3: A 873 LYS NZ :NH3+ -173:sc= 1.89 (180deg=1.88) USER MOD Set 2.4: A 893 CYS SG : rot 58:sc= -1.1 USER MOD Set 2.5: A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.6: A 904 CYS SG : rot 180:sc=-0.00771 USER MOD Single : A 863 SER OG : rot -38:sc= 0.0526 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 895 ASN : amide:sc= 2.27 K(o=2.3,f=-0.0042) USER MOD Single : A 896 ASN : amide:sc= 0.31 K(o=0.31,f=-3.8!) 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= 0.346 USER MOD Single : A 908 GLN : amide:sc= 1.56 K(o=1.6,f=-5.2!) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.00186 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 6 THR OG1 : rot 43:sc= 1.72 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.957 6.604 -13.813 1.00 0.00 N ATOM 189 CA SER A 863 -20.953 5.200 -13.351 1.00 0.00 C ATOM 190 C SER A 863 -19.851 4.310 -13.950 1.00 0.00 C ATOM 191 O SER A 863 -19.474 4.418 -15.124 1.00 0.00 O ATOM 192 CB SER A 863 -22.335 4.564 -13.558 1.00 0.00 C ATOM 193 OG SER A 863 -22.714 4.592 -14.923 1.00 0.00 O ATOM 0 HA SER A 863 -20.716 5.255 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.321 3.533 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.076 5.096 -12.961 1.00 0.00 H new ATOM 0 HG SER A 863 -22.417 5.434 -15.328 1.00 0.00 H new ATOM 199 N ALA A 864 -19.306 3.427 -13.105 1.00 0.00 N ATOM 200 CA ALA A 864 -17.979 2.847 -13.285 1.00 0.00 C ATOM 201 C ALA A 864 -17.906 1.365 -12.882 1.00 0.00 C ATOM 202 O ALA A 864 -18.915 0.737 -12.544 1.00 0.00 O ATOM 203 CB ALA A 864 -17.011 3.711 -12.460 1.00 0.00 C ATOM 0 H ALA A 864 -19.784 3.094 -12.268 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.713 2.852 -14.342 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.999 3.319 -12.560 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -17.040 4.738 -12.824 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.307 3.689 -11.411 1.00 0.00 H new ATOM 209 N TRP A 865 -16.704 0.800 -12.943 1.00 0.00 N ATOM 210 CA TRP A 865 -16.392 -0.524 -12.404 1.00 0.00 C ATOM 211 C TRP A 865 -15.421 -0.452 -11.223 1.00 0.00 C ATOM 212 O TRP A 865 -14.862 0.600 -10.906 1.00 0.00 O ATOM 213 CB TRP A 865 -15.875 -1.397 -13.543 1.00 0.00 C ATOM 214 CG TRP A 865 -16.889 -1.569 -14.630 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.227 -0.640 -15.552 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.794 -2.688 -14.841 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.309 -1.078 -16.289 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.698 -2.352 -15.893 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.912 -3.963 -14.249 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.682 -3.258 -16.326 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.884 -4.881 -14.689 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.770 -4.528 -15.721 1.00 0.00 C ATOM 0 H TRP A 865 -15.902 1.257 -13.377 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.296 -0.976 -11.995 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.972 -0.951 -13.959 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.596 -2.375 -13.151 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.724 0.306 -15.692 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.763 -0.538 -17.026 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.246 -4.239 -13.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.365 -2.983 -17.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.949 -5.858 -14.233 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.520 -5.231 -16.051 1.00 0.00 H new ATOM 233 N VAL A 866 -15.232 -1.596 -10.571 1.00 0.00 N ATOM 234 CA VAL A 866 -14.174 -1.827 -9.578 1.00 0.00 C ATOM 235 C VAL A 866 -13.676 -3.271 -9.669 1.00 0.00 C ATOM 236 O VAL A 866 -14.458 -4.186 -9.940 1.00 0.00 O ATOM 237 CB VAL A 866 -14.634 -1.422 -8.164 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.842 -2.228 -7.685 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.513 -1.528 -7.127 1.00 0.00 C ATOM 0 H VAL A 866 -15.824 -2.413 -10.719 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.323 -1.184 -9.802 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.927 -0.376 -8.253 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.123 -1.902 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.678 -2.070 -8.366 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.587 -3.287 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.892 -1.231 -6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.156 -2.557 -7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.691 -0.872 -7.412 1.00 0.00 H new ATOM 249 N ARG A 867 -12.364 -3.465 -9.497 1.00 0.00 N ATOM 250 CA ARG A 867 -11.709 -4.783 -9.442 1.00 0.00 C ATOM 251 C ARG A 867 -11.710 -5.304 -7.999 1.00 0.00 C ATOM 252 O ARG A 867 -11.422 -4.529 -7.085 1.00 0.00 O ATOM 253 CB ARG A 867 -10.263 -4.648 -9.955 1.00 0.00 C ATOM 254 CG ARG A 867 -9.707 -5.854 -10.740 1.00 0.00 C ATOM 255 CD ARG A 867 -8.250 -5.611 -11.182 1.00 0.00 C ATOM 256 NE ARG A 867 -7.263 -6.136 -10.214 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.851 -5.559 -9.095 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.154 -4.342 -8.758 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.097 -6.193 -8.251 1.00 0.00 N ATOM 0 H ARG A 867 -11.708 -2.691 -9.389 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.252 -5.490 -10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.206 -3.767 -10.594 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.611 -4.465 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.757 -6.749 -10.119 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.329 -6.039 -11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.086 -6.081 -12.152 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.089 -4.541 -11.314 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.854 -7.044 -10.432 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.741 -3.774 -9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.805 -3.954 -7.882 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.811 -7.153 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.790 -5.732 -7.395 1.00 0.00 H new ATOM 273 N CYS A 868 -11.927 -6.600 -7.789 1.00 0.00 N ATOM 274 CA CYS A 868 -11.579 -7.244 -6.529 1.00 0.00 C ATOM 275 C CYS A 868 -10.039 -7.345 -6.407 1.00 0.00 C ATOM 276 O CYS A 868 -9.397 -8.065 -7.177 1.00 0.00 O ATOM 277 CB CYS A 868 -12.306 -8.595 -6.429 1.00 0.00 C ATOM 278 SG CYS A 868 -11.798 -9.457 -4.896 1.00 0.00 S ATOM 0 H CYS A 868 -12.344 -7.225 -8.479 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.913 -6.651 -5.678 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.385 -8.439 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.072 -9.210 -7.298 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.695 -10.732 -5.129 1.00 0.00 H new ATOM 283 N ASP A 869 -9.444 -6.636 -5.443 1.00 0.00 N ATOM 284 CA ASP A 869 -8.016 -6.796 -5.114 1.00 0.00 C ATOM 285 C ASP A 869 -7.646 -8.191 -4.571 1.00 0.00 C ATOM 286 O ASP A 869 -6.468 -8.558 -4.603 1.00 0.00 O ATOM 287 CB ASP A 869 -7.571 -5.708 -4.117 1.00 0.00 C ATOM 288 CG ASP A 869 -7.000 -4.428 -4.768 1.00 0.00 C ATOM 289 OD1 ASP A 869 -6.641 -4.430 -5.972 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.843 -3.420 -4.043 1.00 0.00 O1- ATOM 0 H ASP A 869 -9.927 -5.942 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.481 -6.686 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.423 -5.434 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.816 -6.130 -3.454 1.00 0.00 H new ATOM 295 N ASP A 870 -8.619 -8.982 -4.111 1.00 0.00 N ATOM 296 CA ASP A 870 -8.403 -10.362 -3.653 1.00 0.00 C ATOM 297 C ASP A 870 -8.565 -11.412 -4.779 1.00 0.00 C ATOM 298 O ASP A 870 -8.057 -12.531 -4.644 1.00 0.00 O ATOM 299 CB ASP A 870 -9.290 -10.671 -2.429 1.00 0.00 C ATOM 300 CG ASP A 870 -8.710 -10.181 -1.083 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.147 -10.696 -0.028 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.815 -9.301 -1.041 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.591 -8.681 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.361 -10.438 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.268 -10.212 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -9.448 -11.748 -2.372 1.00 0.00 H new ATOM 307 N CYS A 871 -9.195 -11.039 -5.902 1.00 0.00 N ATOM 308 CA CYS A 871 -9.259 -11.792 -7.151 1.00 0.00 C ATOM 309 C CYS A 871 -8.533 -11.012 -8.288 1.00 0.00 C ATOM 310 O CYS A 871 -7.305 -10.989 -8.388 1.00 0.00 O ATOM 311 CB CYS A 871 -10.743 -12.116 -7.502 1.00 0.00 C ATOM 312 SG CYS A 871 -11.614 -13.187 -6.328 1.00 0.00 S ATOM 0 H CYS A 871 -9.700 -10.154 -5.961 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.739 -12.743 -7.034 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.291 -11.177 -7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.770 -12.588 -8.484 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.834 -13.375 -6.735 1.00 0.00 H new ATOM 317 N PHE A 872 -9.369 -10.432 -9.151 1.00 0.00 N ATOM 318 CA PHE A 872 -9.151 -9.745 -10.432 1.00 0.00 C ATOM 319 C PHE A 872 -10.512 -9.467 -11.122 1.00 0.00 C ATOM 320 O PHE A 872 -10.592 -8.647 -12.034 1.00 0.00 O ATOM 321 CB PHE A 872 -8.301 -10.598 -11.386 1.00 0.00 C ATOM 322 CG PHE A 872 -8.902 -11.942 -11.775 1.00 0.00 C ATOM 323 CD1 PHE A 872 -8.646 -13.090 -11.000 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.738 -12.041 -12.905 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.234 -14.322 -11.343 1.00 0.00 C ATOM 326 CE2 PHE A 872 -10.325 -13.271 -13.248 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.075 -14.412 -12.465 1.00 0.00 C ATOM 0 H PHE A 872 -10.366 -10.433 -8.935 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.629 -8.813 -10.217 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.120 -10.024 -12.295 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.331 -10.774 -10.921 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -7.996 -13.025 -10.140 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -9.929 -11.167 -13.511 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -9.039 -15.199 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -10.968 -13.340 -14.113 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.529 -15.357 -12.726 1.00 0.00 H new ATOM 337 N LYS A 873 -11.575 -10.169 -10.685 1.00 0.00 N ATOM 338 CA LYS A 873 -12.989 -10.002 -11.064 1.00 0.00 C ATOM 339 C LYS A 873 -13.454 -8.543 -11.031 1.00 0.00 C ATOM 340 O LYS A 873 -12.952 -7.757 -10.227 1.00 0.00 O ATOM 341 CB LYS A 873 -13.849 -10.818 -10.101 1.00 0.00 C ATOM 342 CG LYS A 873 -15.152 -11.252 -10.785 1.00 0.00 C ATOM 343 CD LYS A 873 -15.742 -12.465 -10.090 1.00 0.00 C ATOM 344 CE LYS A 873 -16.299 -12.112 -8.706 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.205 -13.263 -7.779 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.458 -10.923 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.094 -10.347 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.297 -11.696 -9.765 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.076 -10.226 -9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.869 -10.431 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.959 -11.484 -11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.537 -12.886 -10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -14.976 -13.234 -9.989 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.749 -11.266 -8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.340 -11.801 -8.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.695 -13.034 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -16.649 -14.097 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.205 -13.468 -7.580 1.00 0.00 H new ATOM 359 N TRP A 874 -14.457 -8.206 -11.835 1.00 0.00 N ATOM 360 CA TRP A 874 -14.999 -6.851 -11.969 1.00 0.00 C ATOM 361 C TRP A 874 -16.441 -6.746 -11.457 1.00 0.00 C ATOM 362 O TRP A 874 -17.186 -7.725 -11.493 1.00 0.00 O ATOM 363 CB TRP A 874 -14.884 -6.423 -13.438 1.00 0.00 C ATOM 364 CG TRP A 874 -13.501 -6.551 -14.008 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.977 -7.614 -14.670 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.390 -5.625 -13.825 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.643 -7.388 -14.916 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.228 -6.190 -14.420 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.226 -4.385 -13.179 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -9.977 -5.579 -14.411 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -10.953 -3.786 -13.126 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.834 -4.351 -13.752 1.00 0.00 C ATOM 0 H TRP A 874 -14.932 -8.885 -12.430 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.417 -6.173 -11.344 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.569 -7.025 -14.035 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.209 -5.386 -13.530 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.523 -8.500 -14.959 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.036 -8.041 -15.412 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.074 -3.894 -12.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.134 -6.042 -14.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -10.835 -2.859 -12.584 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -8.878 -3.849 -13.727 1.00 0.00 H new ATOM 383 N ARG A 875 -16.869 -5.555 -11.020 1.00 0.00 N ATOM 384 CA ARG A 875 -18.255 -5.265 -10.604 1.00 0.00 C ATOM 385 C ARG A 875 -18.679 -3.850 -10.984 1.00 0.00 C ATOM 386 O ARG A 875 -17.891 -2.916 -10.863 1.00 0.00 O ATOM 387 CB ARG A 875 -18.428 -5.488 -9.087 1.00 0.00 C ATOM 388 CG ARG A 875 -18.642 -6.957 -8.677 1.00 0.00 C ATOM 389 CD ARG A 875 -19.837 -7.648 -9.350 1.00 0.00 C ATOM 390 NE ARG A 875 -21.086 -6.857 -9.247 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.157 -7.000 -10.006 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.274 -7.961 -10.867 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.165 -6.195 -9.938 1.00 0.00 N ATOM 0 H ARG A 875 -16.252 -4.747 -10.943 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.904 -5.959 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.546 -5.106 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.278 -4.900 -8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.738 -7.519 -8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.776 -7.002 -7.596 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.607 -7.821 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -19.992 -8.625 -8.892 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.122 -6.137 -8.525 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.522 -8.642 -10.977 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.118 -8.037 -11.435 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.151 -5.415 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.974 -6.339 -10.542 1.00 0.00 H new ATOM 407 N ARG A 876 -19.928 -3.718 -11.438 1.00 0.00 N ATOM 408 CA ARG A 876 -20.573 -2.470 -11.879 1.00 0.00 C ATOM 409 C ARG A 876 -21.057 -1.671 -10.663 1.00 0.00 C ATOM 410 O ARG A 876 -21.856 -2.178 -9.877 1.00 0.00 O ATOM 411 CB ARG A 876 -21.718 -2.859 -12.845 1.00 0.00 C ATOM 412 CG ARG A 876 -22.071 -1.812 -13.904 1.00 0.00 C ATOM 413 CD ARG A 876 -22.482 -0.437 -13.364 1.00 0.00 C ATOM 414 NE ARG A 876 -22.707 0.493 -14.483 1.00 0.00 N ATOM 415 CZ ARG A 876 -21.752 0.979 -15.252 1.00 0.00 C ATOM 416 NH1 ARG A 876 -20.497 0.918 -14.923 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.023 1.513 -16.401 1.00 0.00 N ATOM 0 H ARG A 876 -20.554 -4.520 -11.513 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.877 -1.818 -12.407 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.444 -3.784 -13.351 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.611 -3.070 -12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -21.212 -1.682 -14.562 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.885 -2.200 -14.516 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -23.389 -0.527 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.705 -0.048 -12.706 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.666 0.781 -14.677 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -20.221 0.483 -14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -19.787 1.305 -15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -22.989 1.563 -16.725 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -21.270 1.883 -16.981 1.00 0.00 H new ATOM 431 N ILE A 877 -20.586 -0.430 -10.518 1.00 0.00 N ATOM 432 CA ILE A 877 -20.882 0.464 -9.382 1.00 0.00 C ATOM 433 C ILE A 877 -21.278 1.885 -9.829 1.00 0.00 C ATOM 434 O ILE A 877 -20.867 2.335 -10.904 1.00 0.00 O ATOM 435 CB ILE A 877 -19.677 0.511 -8.410 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.454 1.199 -9.063 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.351 -0.906 -7.906 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.233 1.306 -8.149 1.00 0.00 C ATOM 0 H ILE A 877 -19.968 -0.001 -11.207 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.747 0.049 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.945 1.118 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.175 0.645 -9.959 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.743 2.200 -9.384 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.502 -0.863 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.216 -1.315 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.103 -1.545 -8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.421 1.800 -8.683 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.491 1.887 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.915 0.308 -7.848 1.00 0.00 H new ATOM 450 N PRO A 878 -22.014 2.649 -9.001 1.00 0.00 N ATOM 451 CA PRO A 878 -22.111 4.095 -9.168 1.00 0.00 C ATOM 452 C PRO A 878 -20.765 4.773 -8.857 1.00 0.00 C ATOM 453 O PRO A 878 -19.999 4.332 -7.994 1.00 0.00 O ATOM 454 CB PRO A 878 -23.215 4.539 -8.203 1.00 0.00 C ATOM 455 CG PRO A 878 -23.108 3.522 -7.067 1.00 0.00 C ATOM 456 CD PRO A 878 -22.716 2.233 -7.790 1.00 0.00 C ATOM 0 HA PRO A 878 -22.350 4.378 -10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.056 5.558 -7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.197 4.515 -8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.358 3.816 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.052 3.413 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -22.077 1.612 -7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.597 1.639 -8.034 1.00 0.00 H new ATOM 464 N ALA A 879 -20.498 5.903 -9.512 1.00 0.00 N ATOM 465 CA ALA A 879 -19.309 6.732 -9.274 1.00 0.00 C ATOM 466 C ALA A 879 -19.146 7.211 -7.817 1.00 0.00 C ATOM 467 O ALA A 879 -18.031 7.470 -7.366 1.00 0.00 O ATOM 468 CB ALA A 879 -19.399 7.938 -10.206 1.00 0.00 C ATOM 0 H ALA A 879 -21.111 6.277 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.432 6.116 -9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.530 8.579 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.425 7.597 -11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.306 8.501 -9.986 1.00 0.00 H new ATOM 474 N SER A 880 -20.240 7.263 -7.055 1.00 0.00 N ATOM 475 CA SER A 880 -20.250 7.566 -5.617 1.00 0.00 C ATOM 476 C SER A 880 -19.407 6.571 -4.807 1.00 0.00 C ATOM 477 O SER A 880 -18.841 6.938 -3.778 1.00 0.00 O ATOM 478 CB SER A 880 -21.691 7.536 -5.090 1.00 0.00 C ATOM 479 OG SER A 880 -22.545 8.348 -5.883 1.00 0.00 O ATOM 0 H SER A 880 -21.173 7.091 -7.430 1.00 0.00 H new ATOM 0 HA SER A 880 -19.815 8.558 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.059 6.510 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.711 7.883 -4.057 1.00 0.00 H new ATOM 0 HG SER A 880 -23.457 8.309 -5.526 1.00 0.00 H new ATOM 485 N VAL A 881 -19.278 5.326 -5.291 1.00 0.00 N ATOM 486 CA VAL A 881 -18.379 4.313 -4.722 1.00 0.00 C ATOM 487 C VAL A 881 -16.988 4.432 -5.315 1.00 0.00 C ATOM 488 O VAL A 881 -16.013 4.386 -4.571 1.00 0.00 O ATOM 489 CB VAL A 881 -18.953 2.890 -4.900 1.00 0.00 C ATOM 490 CG1 VAL A 881 -18.028 1.770 -4.408 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.276 2.742 -4.138 1.00 0.00 C ATOM 0 H VAL A 881 -19.803 4.991 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.299 4.497 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 881 -19.083 2.781 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.507 0.805 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -17.088 1.806 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.830 1.903 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.664 1.733 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -20.107 2.924 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.998 3.464 -4.519 1.00 0.00 H new ATOM 501 N VAL A 882 -16.864 4.663 -6.624 1.00 0.00 N ATOM 502 CA VAL A 882 -15.534 4.678 -7.270 1.00 0.00 C ATOM 503 C VAL A 882 -14.661 5.867 -6.837 1.00 0.00 C ATOM 504 O VAL A 882 -13.434 5.802 -6.920 1.00 0.00 O ATOM 505 CB VAL A 882 -15.641 4.528 -8.802 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.687 5.842 -9.585 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.464 3.710 -9.353 1.00 0.00 C ATOM 0 H VAL A 882 -17.647 4.840 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.004 3.797 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.597 4.026 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.762 5.628 -10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.553 6.423 -9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.778 6.412 -9.393 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.560 3.617 -10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.527 4.214 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.468 2.718 -8.902 1.00 0.00 H new ATOM 517 N GLY A 883 -15.297 6.914 -6.299 1.00 0.00 N ATOM 518 CA GLY A 883 -14.635 8.060 -5.664 1.00 0.00 C ATOM 519 C GLY A 883 -14.439 7.920 -4.144 1.00 0.00 C ATOM 520 O GLY A 883 -13.597 8.610 -3.569 1.00 0.00 O ATOM 0 H GLY A 883 -16.314 6.990 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.661 8.206 -6.131 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.221 8.958 -5.861 1.00 0.00 H new ATOM 524 N SER A 884 -15.187 7.021 -3.489 1.00 0.00 N ATOM 525 CA SER A 884 -15.041 6.679 -2.062 1.00 0.00 C ATOM 526 C SER A 884 -13.951 5.619 -1.824 1.00 0.00 C ATOM 527 O SER A 884 -13.236 5.665 -0.820 1.00 0.00 O ATOM 528 CB SER A 884 -16.393 6.199 -1.518 1.00 0.00 C ATOM 529 OG SER A 884 -16.357 5.991 -0.113 1.00 0.00 O ATOM 0 H SER A 884 -15.932 6.496 -3.947 1.00 0.00 H new ATOM 0 HA SER A 884 -14.724 7.575 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 884 -17.162 6.934 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.675 5.271 -2.015 1.00 0.00 H new ATOM 0 HG SER A 884 -17.236 5.688 0.195 1.00 0.00 H new ATOM 535 N ILE A 885 -13.795 4.679 -2.762 1.00 0.00 N ATOM 536 CA ILE A 885 -12.662 3.748 -2.862 1.00 0.00 C ATOM 537 C ILE A 885 -11.413 4.568 -3.228 1.00 0.00 C ATOM 538 O ILE A 885 -11.417 5.286 -4.227 1.00 0.00 O ATOM 539 CB ILE A 885 -13.032 2.649 -3.901 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.795 1.452 -3.287 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.843 2.053 -4.667 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.984 1.830 -2.395 1.00 0.00 C ATOM 0 H ILE A 885 -14.482 4.539 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.442 3.233 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.666 3.206 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.155 0.816 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -13.095 0.857 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.202 1.298 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.332 2.843 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.149 1.595 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.454 0.924 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.634 2.438 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.710 2.397 -2.978 1.00 0.00 H new ATOM 603 N ARG A 890 -8.563 -1.824 -0.628 1.00 0.00 N ATOM 604 CA ARG A 890 -8.876 -3.225 -0.968 1.00 0.00 C ATOM 605 C ARG A 890 -10.391 -3.435 -1.048 1.00 0.00 C ATOM 606 O ARG A 890 -11.005 -4.010 -0.149 1.00 0.00 O ATOM 607 CB ARG A 890 -8.198 -4.193 0.022 1.00 0.00 C ATOM 608 CG ARG A 890 -6.674 -4.260 -0.177 1.00 0.00 C ATOM 609 CD ARG A 890 -5.991 -5.153 0.867 1.00 0.00 C ATOM 610 NE ARG A 890 -6.386 -6.575 0.761 1.00 0.00 N ATOM 611 CZ ARG A 890 -6.156 -7.520 1.653 1.00 0.00 C ATOM 612 NH1 ARG A 890 -5.523 -7.288 2.771 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -6.562 -8.735 1.439 1.00 0.00 N ATOM 0 HA ARG A 890 -8.470 -3.447 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.415 -3.877 1.042 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.622 -5.190 -0.100 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.456 -4.640 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.258 -3.254 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -4.910 -5.073 0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.235 -4.788 1.865 1.00 0.00 H new ATOM 0 HE ARG A 890 -6.885 -6.852 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.186 -6.348 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -5.365 -8.046 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -7.061 -8.962 0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -6.382 -9.462 2.131 1.00 0.00 H new ATOM 627 N TRP A 891 -10.998 -2.955 -2.132 1.00 0.00 N ATOM 628 CA TRP A 891 -12.352 -3.361 -2.513 1.00 0.00 C ATOM 629 C TRP A 891 -12.297 -4.818 -2.987 1.00 0.00 C ATOM 630 O TRP A 891 -11.418 -5.172 -3.777 1.00 0.00 O ATOM 631 CB TRP A 891 -12.922 -2.426 -3.587 1.00 0.00 C ATOM 632 CG TRP A 891 -14.378 -2.620 -3.891 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.347 -1.783 -3.470 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.074 -3.685 -4.620 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.579 -2.206 -3.912 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.479 -3.415 -4.566 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.677 -4.859 -5.301 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.437 -4.285 -5.095 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.634 -5.749 -5.826 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.004 -5.474 -5.697 1.00 0.00 C ATOM 0 H TRP A 891 -10.571 -2.280 -2.766 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.024 -3.289 -1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.767 -1.395 -3.269 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.353 -2.564 -4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.179 -0.902 -2.869 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.450 -1.693 -3.774 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.626 -5.076 -5.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.489 -4.046 -5.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.312 -6.648 -6.331 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.730 -6.184 -6.064 1.00 0.00 H new ATOM 651 N ILE A 892 -13.203 -5.665 -2.491 1.00 0.00 N ATOM 652 CA ILE A 892 -13.267 -7.099 -2.815 1.00 0.00 C ATOM 653 C ILE A 892 -14.718 -7.580 -2.968 1.00 0.00 C ATOM 654 O ILE A 892 -15.639 -6.938 -2.448 1.00 0.00 O ATOM 655 CB ILE A 892 -12.514 -7.937 -1.750 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.227 -7.894 -0.382 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.041 -7.506 -1.616 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.860 -9.073 0.520 1.00 0.00 C ATOM 0 H ILE A 892 -13.930 -5.370 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.773 -7.243 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.524 -8.970 -2.099 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.973 -6.963 0.125 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.305 -7.887 -0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.550 -8.118 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.535 -7.636 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.994 -6.458 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.393 -8.986 1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.139 -10.006 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.786 -9.068 0.706 1.00 0.00 H new ATOM 670 N CYS A 893 -14.933 -8.752 -3.576 1.00 0.00 N ATOM 671 CA CYS A 893 -16.253 -9.368 -3.694 1.00 0.00 C ATOM 672 C CYS A 893 -17.014 -9.435 -2.347 1.00 0.00 C ATOM 673 O CYS A 893 -18.193 -9.098 -2.299 1.00 0.00 O ATOM 674 CB CYS A 893 -16.152 -10.768 -4.319 1.00 0.00 C ATOM 675 SG CYS A 893 -15.117 -10.875 -5.818 1.00 0.00 S ATOM 0 H CYS A 893 -14.187 -9.302 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.832 -8.722 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.754 -11.454 -3.572 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.157 -11.112 -4.565 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.912 -10.470 -5.543 1.00 0.00 H new ATOM 680 N MET A 894 -16.370 -9.853 -1.244 1.00 0.00 N ATOM 681 CA MET A 894 -17.069 -10.037 0.045 1.00 0.00 C ATOM 682 C MET A 894 -17.566 -8.717 0.674 1.00 0.00 C ATOM 683 O MET A 894 -18.388 -8.737 1.592 1.00 0.00 O ATOM 684 CB MET A 894 -16.195 -10.824 1.033 1.00 0.00 C ATOM 685 CG MET A 894 -15.767 -12.190 0.481 1.00 0.00 C ATOM 686 SD MET A 894 -14.841 -13.203 1.666 1.00 0.00 S ATOM 687 CE MET A 894 -14.532 -14.661 0.631 1.00 0.00 C ATOM 0 H MET A 894 -15.374 -10.069 -1.216 1.00 0.00 H new ATOM 0 HA MET A 894 -17.965 -10.618 -0.177 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.307 -10.239 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 894 -16.744 -10.968 1.964 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.655 -12.738 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 894 -15.155 -12.036 -0.407 1.00 0.00 H new ATOM 0 HE1 MET A 894 -13.967 -15.399 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 894 -15.483 -15.094 0.319 1.00 0.00 H new ATOM 0 HE3 MET A 894 -13.960 -14.368 -0.250 1.00 0.00 H new ATOM 697 N ASN A 895 -17.100 -7.568 0.165 1.00 0.00 N ATOM 698 CA ASN A 895 -17.555 -6.219 0.529 1.00 0.00 C ATOM 699 C ASN A 895 -18.660 -5.673 -0.410 1.00 0.00 C ATOM 700 O ASN A 895 -19.272 -4.648 -0.104 1.00 0.00 O ATOM 701 CB ASN A 895 -16.302 -5.313 0.627 1.00 0.00 C ATOM 702 CG ASN A 895 -16.290 -4.101 -0.292 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.362 -2.958 0.136 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.184 -4.312 -1.582 1.00 0.00 N ATOM 0 H ASN A 895 -16.365 -7.553 -0.542 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.052 -6.242 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.207 -4.966 1.656 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.421 -5.918 0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.162 -3.523 -2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.124 -5.265 -1.940 1.00 0.00 H new ATOM 711 N ASN A 896 -18.898 -6.332 -1.552 1.00 0.00 N ATOM 712 CA ASN A 896 -19.809 -5.882 -2.613 1.00 0.00 C ATOM 713 C ASN A 896 -21.229 -5.594 -2.091 1.00 0.00 C ATOM 714 O ASN A 896 -21.832 -6.398 -1.374 1.00 0.00 O ATOM 715 CB ASN A 896 -19.836 -6.933 -3.745 1.00 0.00 C ATOM 716 CG ASN A 896 -20.685 -6.576 -4.955 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.136 -5.459 -5.150 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.958 -7.536 -5.805 1.00 0.00 N ATOM 0 H ASN A 896 -18.448 -7.221 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.431 -4.936 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.813 -7.106 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.200 -7.874 -3.333 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.542 -7.345 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.586 -8.474 -5.652 1.00 0.00 H new ATOM 725 N SER A 897 -21.774 -4.459 -2.524 1.00 0.00 N ATOM 726 CA SER A 897 -23.169 -4.048 -2.314 1.00 0.00 C ATOM 727 C SER A 897 -24.195 -5.064 -2.825 1.00 0.00 C ATOM 728 O SER A 897 -25.198 -5.337 -2.163 1.00 0.00 O ATOM 729 CB SER A 897 -23.410 -2.743 -3.076 1.00 0.00 C ATOM 730 OG SER A 897 -22.717 -1.668 -2.461 1.00 0.00 O ATOM 0 H SER A 897 -21.238 -3.770 -3.052 1.00 0.00 H new ATOM 0 HA SER A 897 -23.304 -3.948 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.079 -2.852 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.478 -2.525 -3.105 1.00 0.00 H new ATOM 0 HG SER A 897 -22.882 -0.843 -2.963 1.00 0.00 H new ATOM 736 N ASP A 898 -23.954 -5.612 -4.014 1.00 0.00 N ATOM 737 CA ASP A 898 -24.868 -6.532 -4.702 1.00 0.00 C ATOM 738 C ASP A 898 -24.666 -7.978 -4.234 1.00 0.00 C ATOM 739 O ASP A 898 -23.784 -8.697 -4.705 1.00 0.00 O ATOM 740 CB ASP A 898 -24.734 -6.426 -6.229 1.00 0.00 C ATOM 741 CG ASP A 898 -24.704 -4.985 -6.771 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.548 -4.152 -6.360 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.853 -4.702 -7.647 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.100 -5.427 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.882 -6.234 -4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.821 -6.935 -6.537 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.566 -6.957 -6.691 1.00 0.00 H new ATOM 748 N LYS A 899 -25.541 -8.428 -3.332 1.00 0.00 N ATOM 749 CA LYS A 899 -25.493 -9.737 -2.649 1.00 0.00 C ATOM 750 C LYS A 899 -25.559 -10.939 -3.604 1.00 0.00 C ATOM 751 O LYS A 899 -25.152 -12.042 -3.242 1.00 0.00 O ATOM 752 CB LYS A 899 -26.624 -9.808 -1.604 1.00 0.00 C ATOM 753 CG LYS A 899 -26.521 -8.740 -0.500 1.00 0.00 C ATOM 754 CD LYS A 899 -25.579 -9.186 0.622 1.00 0.00 C ATOM 755 CE LYS A 899 -26.265 -10.212 1.533 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.367 -10.663 2.629 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.342 -7.869 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.521 -9.806 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.582 -9.700 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.618 -10.795 -1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.161 -7.805 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.511 -8.542 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.676 -9.620 0.194 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.270 -8.321 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.167 -9.774 1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.577 -11.072 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.866 -11.356 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.517 -11.104 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.089 -9.846 3.209 1.00 0.00 H new ATOM 770 N ARG A 900 -26.018 -10.712 -4.840 1.00 0.00 N ATOM 771 CA ARG A 900 -26.019 -11.673 -5.960 1.00 0.00 C ATOM 772 C ARG A 900 -24.619 -12.005 -6.495 1.00 0.00 C ATOM 773 O ARG A 900 -24.423 -13.076 -7.065 1.00 0.00 O ATOM 774 CB ARG A 900 -26.869 -11.077 -7.092 1.00 0.00 C ATOM 775 CG ARG A 900 -28.371 -10.898 -6.798 1.00 0.00 C ATOM 776 CD ARG A 900 -29.147 -12.188 -6.478 1.00 0.00 C ATOM 777 NE ARG A 900 -28.950 -12.669 -5.092 1.00 0.00 N ATOM 778 CZ ARG A 900 -29.470 -12.171 -3.982 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.269 -11.142 -3.984 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -29.189 -12.707 -2.829 1.00 0.00 N ATOM 0 H ARG A 900 -26.419 -9.812 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.429 -12.612 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.454 -10.104 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.766 -11.716 -7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.479 -10.213 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.837 -10.420 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -30.210 -12.014 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.838 -12.970 -7.172 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.342 -13.480 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.515 -10.689 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -30.648 -10.789 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.566 -13.513 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -29.592 -12.321 -1.975 1.00 0.00 H new ATOM 794 N PHE A 901 -23.658 -11.103 -6.296 1.00 0.00 N ATOM 795 CA PHE A 901 -22.276 -11.193 -6.797 1.00 0.00 C ATOM 796 C PHE A 901 -21.222 -10.865 -5.712 1.00 0.00 C ATOM 797 O PHE A 901 -20.106 -10.448 -6.021 1.00 0.00 O ATOM 798 CB PHE A 901 -22.102 -10.300 -8.046 1.00 0.00 C ATOM 799 CG PHE A 901 -23.159 -10.393 -9.137 1.00 0.00 C ATOM 800 CD1 PHE A 901 -22.913 -11.105 -10.328 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.359 -9.668 -9.010 1.00 0.00 C ATOM 802 CE1 PHE A 901 -23.879 -11.148 -11.349 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.331 -9.714 -10.026 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.095 -10.462 -11.192 1.00 0.00 C ATOM 0 H PHE A 901 -23.823 -10.251 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.099 -12.230 -7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.055 -9.263 -7.713 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.137 -10.535 -8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -21.974 -11.622 -10.458 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.535 -9.072 -8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.686 -11.708 -12.252 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.259 -9.174 -9.910 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.847 -10.509 -11.966 1.00 0.00 H new ATOM 814 N ALA A 902 -21.579 -10.990 -4.431 1.00 0.00 N ATOM 815 CA ALA A 902 -20.776 -10.590 -3.271 1.00 0.00 C ATOM 816 C ALA A 902 -19.964 -11.731 -2.630 1.00 0.00 C ATOM 817 O ALA A 902 -19.845 -11.829 -1.407 1.00 0.00 O ATOM 818 CB ALA A 902 -21.682 -9.846 -2.274 1.00 0.00 C ATOM 0 H ALA A 902 -22.477 -11.391 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.997 -9.912 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.096 -9.543 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.103 -8.963 -2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.490 -10.505 -1.955 1.00 0.00 H new ATOM 824 N ASP A 903 -19.381 -12.590 -3.464 1.00 0.00 N ATOM 825 CA ASP A 903 -18.433 -13.633 -3.068 1.00 0.00 C ATOM 826 C ASP A 903 -17.323 -13.783 -4.102 1.00 0.00 C ATOM 827 O ASP A 903 -17.556 -13.683 -5.310 1.00 0.00 O ATOM 828 CB ASP A 903 -19.139 -14.980 -2.846 1.00 0.00 C ATOM 829 CG ASP A 903 -20.114 -14.996 -1.655 1.00 0.00 C ATOM 830 OD1 ASP A 903 -21.348 -15.041 -1.875 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.641 -15.047 -0.493 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.561 -12.580 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.988 -13.324 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.686 -15.244 -3.751 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.384 -15.751 -2.693 1.00 0.00 H new ATOM 836 N CYS A 904 -16.119 -14.110 -3.639 1.00 0.00 N ATOM 837 CA CYS A 904 -14.988 -14.439 -4.494 1.00 0.00 C ATOM 838 C CYS A 904 -15.291 -15.650 -5.428 1.00 0.00 C ATOM 839 O CYS A 904 -14.662 -15.797 -6.478 1.00 0.00 O ATOM 840 CB CYS A 904 -13.773 -14.589 -3.565 1.00 0.00 C ATOM 841 SG CYS A 904 -13.310 -12.943 -2.888 1.00 0.00 S ATOM 0 H CYS A 904 -15.901 -14.154 -2.643 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.768 -13.651 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -14.007 -15.276 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.934 -15.018 -4.113 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.283 -13.071 -2.101 1.00 0.00 H new ATOM 846 N SER A 905 -16.301 -16.459 -5.081 1.00 0.00 N ATOM 847 CA SER A 905 -16.795 -17.595 -5.874 1.00 0.00 C ATOM 848 C SER A 905 -17.852 -17.221 -6.930 1.00 0.00 C ATOM 849 O SER A 905 -18.100 -18.004 -7.850 1.00 0.00 O ATOM 850 CB SER A 905 -17.397 -18.658 -4.949 1.00 0.00 C ATOM 851 OG SER A 905 -16.449 -19.086 -3.980 1.00 0.00 O ATOM 0 H SER A 905 -16.816 -16.337 -4.209 1.00 0.00 H new ATOM 0 HA SER A 905 -15.924 -17.972 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.277 -18.254 -4.448 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.730 -19.512 -5.539 1.00 0.00 H new ATOM 0 HG SER A 905 -16.857 -19.763 -3.400 1.00 0.00 H new ATOM 857 N LYS A 906 -18.505 -16.053 -6.803 1.00 0.00 N ATOM 858 CA LYS A 906 -19.541 -15.554 -7.736 1.00 0.00 C ATOM 859 C LYS A 906 -18.967 -15.013 -9.060 1.00 0.00 C ATOM 860 O LYS A 906 -17.755 -15.033 -9.275 1.00 0.00 O ATOM 861 CB LYS A 906 -20.395 -14.499 -7.007 1.00 0.00 C ATOM 862 CG LYS A 906 -21.512 -15.047 -6.099 1.00 0.00 C ATOM 863 CD LYS A 906 -22.639 -15.814 -6.816 1.00 0.00 C ATOM 864 CE LYS A 906 -22.432 -17.337 -6.789 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.565 -18.052 -7.437 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.326 -15.411 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.166 -16.397 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.733 -13.879 -6.402 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -20.848 -13.847 -7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.062 -15.708 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.954 -14.213 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.593 -15.573 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.700 -15.478 -7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.502 -17.588 -7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.330 -17.673 -5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.394 -19.077 -7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.448 -17.831 -6.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.646 -17.748 -8.428 1.00 0.00 H new ATOM 879 N SER A 907 -19.845 -14.522 -9.940 1.00 0.00 N ATOM 880 CA SER A 907 -19.530 -14.025 -11.292 1.00 0.00 C ATOM 881 C SER A 907 -19.610 -12.483 -11.391 1.00 0.00 C ATOM 882 O SER A 907 -19.462 -11.786 -10.385 1.00 0.00 O ATOM 883 CB SER A 907 -20.432 -14.771 -12.290 1.00 0.00 C ATOM 884 OG SER A 907 -20.009 -14.568 -13.629 1.00 0.00 O ATOM 0 H SER A 907 -20.840 -14.455 -9.724 1.00 0.00 H new ATOM 0 HA SER A 907 -18.490 -14.238 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 907 -20.423 -15.837 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.461 -14.429 -12.177 1.00 0.00 H new ATOM 0 HG SER A 907 -20.602 -15.057 -14.237 1.00 0.00 H new ATOM 890 N GLN A 908 -19.846 -11.942 -12.591 1.00 0.00 N ATOM 891 CA GLN A 908 -20.073 -10.517 -12.892 1.00 0.00 C ATOM 892 C GLN A 908 -21.082 -10.313 -14.045 1.00 0.00 C ATOM 893 O GLN A 908 -21.430 -11.264 -14.746 1.00 0.00 O ATOM 894 CB GLN A 908 -18.724 -9.822 -13.147 1.00 0.00 C ATOM 895 CG GLN A 908 -18.064 -10.178 -14.485 1.00 0.00 C ATOM 896 CD GLN A 908 -16.573 -9.830 -14.547 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.788 -10.061 -13.641 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.100 -9.271 -15.635 1.00 0.00 N ATOM 0 H GLN A 908 -19.887 -12.519 -13.431 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.536 -10.047 -12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.873 -8.743 -13.106 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.039 -10.080 -12.339 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.187 -11.245 -14.668 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.584 -9.655 -15.287 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.724 -9.062 -16.414 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.108 -9.045 -15.702 1.00 0.00 H new ATOM 907 N GLU A 909 -21.559 -9.076 -14.249 1.00 0.00 N ATOM 908 CA GLU A 909 -22.582 -8.752 -15.270 1.00 0.00 C ATOM 909 C GLU A 909 -22.154 -9.098 -16.712 1.00 0.00 C ATOM 910 O GLU A 909 -22.984 -9.516 -17.524 1.00 0.00 O ATOM 911 CB GLU A 909 -22.913 -7.247 -15.256 1.00 0.00 C ATOM 912 CG GLU A 909 -23.369 -6.623 -13.932 1.00 0.00 C ATOM 913 CD GLU A 909 -24.647 -7.241 -13.328 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.761 -7.213 -12.080 1.00 0.00 O ATOM 915 OE2 GLU A 909 -25.536 -7.726 -14.070 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.249 -8.266 -13.712 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.444 -9.363 -15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.028 -6.707 -15.592 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.694 -7.070 -15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.561 -6.715 -13.207 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.537 -5.557 -14.088 1.00 0.00 H new ATOM 922 N MET A 910 -20.863 -8.931 -17.027 1.00 0.00 N ATOM 923 CA MET A 910 -20.265 -9.131 -18.361 1.00 0.00 C ATOM 924 C MET A 910 -18.804 -9.544 -18.220 1.00 0.00 C ATOM 925 O MET A 910 -18.071 -8.881 -17.489 1.00 0.00 O ATOM 926 CB MET A 910 -20.269 -7.839 -19.200 1.00 0.00 C ATOM 927 CG MET A 910 -21.644 -7.286 -19.590 1.00 0.00 C ATOM 928 SD MET A 910 -22.290 -6.000 -18.485 1.00 0.00 S ATOM 929 CE MET A 910 -23.923 -5.754 -19.231 1.00 0.00 C ATOM 0 H MET A 910 -20.175 -8.641 -16.333 1.00 0.00 H new ATOM 0 HA MET A 910 -20.864 -9.897 -18.853 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.736 -7.068 -18.644 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.703 -8.022 -20.113 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.583 -6.880 -20.600 1.00 0.00 H new ATOM 0 HG3 MET A 910 -22.356 -8.111 -19.620 1.00 0.00 H new ATOM 0 HE1 MET A 910 -24.466 -4.990 -18.675 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.806 -5.435 -20.267 1.00 0.00 H new ATOM 0 HE3 MET A 910 -24.481 -6.690 -19.201 1.00 0.00 H new ATOM 939 N SER A 911 -18.346 -10.578 -18.930 1.00 0.00 N ATOM 940 CA SER A 911 -16.955 -11.072 -18.835 1.00 0.00 C ATOM 941 C SER A 911 -15.944 -9.992 -19.223 1.00 0.00 C ATOM 942 O SER A 911 -16.279 -9.064 -19.958 1.00 0.00 O ATOM 943 CB SER A 911 -16.718 -12.303 -19.716 1.00 0.00 C ATOM 944 OG SER A 911 -17.821 -13.198 -19.679 1.00 0.00 O ATOM 0 H SER A 911 -18.923 -11.101 -19.589 1.00 0.00 H new ATOM 0 HA SER A 911 -16.809 -11.349 -17.791 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.541 -11.986 -20.744 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.818 -12.821 -19.383 1.00 0.00 H new ATOM 0 HG SER A 911 -17.635 -13.970 -20.253 1.00 0.00 H new ATOM 950 N ASN A 912 -14.695 -10.118 -18.766 1.00 0.00 N ATOM 951 CA ASN A 912 -13.669 -9.067 -18.898 1.00 0.00 C ATOM 952 C ASN A 912 -13.483 -8.632 -20.369 1.00 0.00 C ATOM 953 O ASN A 912 -13.408 -7.439 -20.658 1.00 0.00 O ATOM 954 CB ASN A 912 -12.381 -9.557 -18.197 1.00 0.00 C ATOM 955 CG ASN A 912 -11.188 -8.616 -18.196 1.00 0.00 C ATOM 956 OD1 ASN A 912 -11.012 -7.724 -19.012 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.318 -8.808 -17.233 1.00 0.00 N ATOM 0 H ASN A 912 -14.360 -10.956 -18.290 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.984 -8.152 -18.397 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.628 -9.790 -17.161 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -12.074 -10.490 -18.669 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -9.493 -8.212 -17.165 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.467 -9.553 -16.553 1.00 0.00 H new ATOM 964 N GLU A 913 -13.547 -9.592 -21.296 1.00 0.00 N ATOM 965 CA GLU A 913 -13.478 -9.380 -22.753 1.00 0.00 C ATOM 966 C GLU A 913 -14.619 -8.508 -23.325 1.00 0.00 C ATOM 967 O GLU A 913 -14.429 -7.828 -24.334 1.00 0.00 O ATOM 968 CB GLU A 913 -13.457 -10.770 -23.414 1.00 0.00 C ATOM 969 CG GLU A 913 -13.074 -10.777 -24.907 1.00 0.00 C ATOM 970 CD GLU A 913 -14.241 -10.612 -25.911 1.00 0.00 C ATOM 971 OE1 GLU A 913 -15.400 -10.989 -25.610 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.982 -10.172 -27.058 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.652 -10.576 -21.048 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.573 -8.814 -22.975 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.755 -11.403 -22.871 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -14.443 -11.222 -23.305 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -12.356 -9.975 -25.081 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -12.563 -11.715 -25.126 1.00 0.00 H new ATOM 979 N GLU A 914 -15.791 -8.497 -22.681 1.00 0.00 N ATOM 980 CA GLU A 914 -16.966 -7.701 -23.063 1.00 0.00 C ATOM 981 C GLU A 914 -16.928 -6.297 -22.436 1.00 0.00 C ATOM 982 O GLU A 914 -17.092 -5.306 -23.152 1.00 0.00 O ATOM 983 CB GLU A 914 -18.255 -8.428 -22.640 1.00 0.00 C ATOM 984 CG GLU A 914 -18.524 -9.776 -23.333 1.00 0.00 C ATOM 985 CD GLU A 914 -19.081 -9.678 -24.776 1.00 0.00 C ATOM 986 OE1 GLU A 914 -19.114 -8.580 -25.384 1.00 0.00 O ATOM 987 OE2 GLU A 914 -19.533 -10.722 -25.310 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.955 -9.063 -21.848 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.951 -7.585 -24.147 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.218 -8.596 -21.564 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -19.101 -7.768 -22.831 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.595 -10.345 -23.357 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.230 -10.344 -22.726 1.00 0.00 H new ATOM 994 N ILE A 915 -16.670 -6.185 -21.121 1.00 0.00 N ATOM 995 CA ILE A 915 -16.495 -4.879 -20.451 1.00 0.00 C ATOM 996 C ILE A 915 -15.331 -4.077 -21.058 1.00 0.00 C ATOM 997 O ILE A 915 -15.541 -2.960 -21.513 1.00 0.00 O ATOM 998 CB ILE A 915 -16.444 -4.990 -18.898 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.858 -3.753 -18.186 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.665 -6.188 -18.361 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.645 -2.493 -18.511 1.00 0.00 C ATOM 0 H ILE A 915 -16.577 -6.986 -20.496 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.395 -4.298 -20.651 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.504 -5.099 -18.671 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.862 -3.917 -17.108 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.818 -3.620 -18.484 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.687 -6.178 -17.271 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -16.119 -7.110 -18.724 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.632 -6.133 -18.703 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.202 -1.643 -17.991 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.619 -2.315 -19.586 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.679 -2.617 -18.189 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.110 -4.613 -21.123 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.940 -3.846 -21.602 1.00 0.00 C ATOM 1015 C ASN A 916 -13.090 -3.294 -23.042 1.00 0.00 C ATOM 1016 O ASN A 916 -12.502 -2.264 -23.377 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.632 -4.631 -21.356 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.279 -5.748 -22.335 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -11.370 -5.623 -23.547 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.785 -6.864 -21.845 1.00 0.00 N ATOM 0 H ASN A 916 -13.898 -5.573 -20.852 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.884 -2.940 -20.999 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.808 -3.917 -21.351 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.684 -5.065 -20.357 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.485 -7.608 -22.474 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -10.702 -6.985 -20.836 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.953 -3.908 -23.857 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.374 -3.415 -25.176 1.00 0.00 C ATOM 1029 C GLU A 917 -15.265 -2.157 -25.122 1.00 0.00 C ATOM 1030 O GLU A 917 -15.199 -1.319 -26.023 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.145 -4.527 -25.910 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.449 -4.882 -27.235 1.00 0.00 C ATOM 1033 CD GLU A 917 -15.247 -5.836 -28.156 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.617 -6.479 -29.034 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -16.497 -5.915 -28.075 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.394 -4.794 -23.610 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.461 -3.136 -25.701 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.208 -5.412 -25.277 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.167 -4.201 -26.105 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -14.246 -3.960 -27.780 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -13.485 -5.339 -27.011 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.097 -2.010 -24.086 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.035 -0.886 -23.916 1.00 0.00 C ATOM 1044 C GLU A 918 -16.309 0.460 -23.780 1.00 0.00 C ATOM 1045 O GLU A 918 -16.719 1.457 -24.379 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.926 -1.121 -22.678 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.115 -0.149 -22.560 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.067 -0.170 -23.777 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.403 -1.262 -24.295 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.506 0.921 -24.213 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.141 -2.684 -23.321 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.651 -0.842 -24.814 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.308 -2.142 -22.708 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.312 -1.036 -21.781 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.683 -0.394 -21.663 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -18.732 0.863 -22.429 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.212 0.480 -23.010 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.332 1.647 -22.870 1.00 0.00 C ATOM 1059 C LEU A 919 -13.242 1.681 -23.963 1.00 0.00 C ATOM 1060 O LEU A 919 -12.766 2.755 -24.332 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.687 1.692 -21.469 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.632 1.410 -20.282 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.509 -0.044 -19.851 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.290 2.279 -19.091 1.00 0.00 C ATOM 0 H LEU A 919 -14.908 -0.324 -22.461 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.956 2.532 -22.995 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -12.874 0.967 -21.441 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.241 2.676 -21.327 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.647 1.629 -20.614 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.180 -0.233 -19.013 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.777 -0.694 -20.684 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.482 -0.248 -19.547 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.973 2.057 -18.271 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.266 2.077 -18.775 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.384 3.329 -19.368 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.853 0.507 -24.474 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.828 0.327 -25.511 1.00 0.00 C ATOM 1078 C GLY A 920 -10.402 0.344 -24.946 1.00 0.00 C ATOM 1079 O GLY A 920 -9.568 1.136 -25.391 1.00 0.00 O ATOM 0 H GLY A 920 -13.258 -0.377 -24.166 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -11.999 -0.619 -26.024 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -11.928 1.117 -26.256 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.140 -0.490 -23.932 1.00 0.00 N ATOM 1084 CA ILE A 921 -8.948 -0.429 -23.063 1.00 0.00 C ATOM 1085 C ILE A 921 -8.249 -1.790 -22.874 1.00 0.00 C ATOM 1086 O ILE A 921 -8.788 -2.851 -23.190 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.305 0.221 -21.707 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.335 -0.639 -20.948 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.764 1.680 -21.889 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.577 -0.167 -19.517 1.00 0.00 C ATOM 0 H ILE A 921 -10.770 -1.252 -23.682 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.219 0.199 -23.576 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.406 0.259 -21.092 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.280 -0.627 -21.492 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.991 -1.673 -20.929 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.008 2.109 -20.917 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.964 2.258 -22.350 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.646 1.707 -22.529 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.312 -0.815 -19.039 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.642 -0.205 -18.958 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.950 0.857 -19.530 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.731 3.048 -15.863 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.935 3.864 -15.629 1.00 0.00 C ATOM 1264 C GLN B 5 -15.709 4.208 -16.915 1.00 0.00 C ATOM 1265 O GLN B 5 -15.313 5.059 -17.709 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.593 5.086 -14.768 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.625 6.133 -15.361 1.00 0.00 C ATOM 1268 CD GLN B 5 -14.244 7.534 -15.434 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -15.383 7.737 -15.835 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -13.524 8.561 -15.041 1.00 0.00 N ATOM 0 HA GLN B 5 -15.639 3.254 -15.063 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.525 5.593 -14.520 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.167 4.728 -13.831 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -12.720 6.171 -14.754 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -13.325 5.820 -16.361 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -12.572 8.417 -14.703 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -13.917 9.502 -15.074 1.00 0.00 H new ATOM 1279 N THR B 6 -16.812 3.485 -17.134 1.00 0.00 N ATOM 1280 CA THR B 6 -17.586 3.458 -18.389 1.00 0.00 C ATOM 1281 C THR B 6 -18.239 4.789 -18.763 1.00 0.00 C ATOM 1282 O THR B 6 -18.240 5.144 -19.941 1.00 0.00 O ATOM 1283 CB THR B 6 -18.676 2.376 -18.325 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.132 2.192 -17.000 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.171 1.030 -18.824 1.00 0.00 C ATOM 0 H THR B 6 -17.209 2.878 -16.417 1.00 0.00 H new ATOM 0 HA THR B 6 -16.854 3.236 -19.165 1.00 0.00 H new ATOM 0 HB THR B 6 -19.486 2.726 -18.965 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.250 3.065 -16.570 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.973 0.295 -18.761 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.846 1.125 -19.860 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.332 0.705 -18.208 1.00 0.00 H new