USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 868 CYS SG : rot -142:sc= 0.167 USER MOD Set 1.2: A 871 CYS SG : rot 180:sc= 0.0249 USER MOD Set 1.3: A 873 LYS NZ :NH3+ -174:sc= 1.99 (180deg=1.87) USER MOD Set 1.4: A 893 CYS SG : rot 59:sc= -1.49! USER MOD Set 1.5: A 904 CYS SG : rot 180:sc= -0.0283 USER MOD Single : A 863 SER OG : rot 38:sc= 0.0816 USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= 2.23 K(o=2.2,f=0) USER MOD Single : A 896 ASN : amide:sc= 0.398 K(o=0.4,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= 0.348 USER MOD Single : A 908 GLN : amide:sc= 0.298 K(o=0.3,f=-0.37) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.00294 USER MOD Single : A 912 ASN : amide:sc= -0.903 K(o=-0.9,f=0.077) USER MOD Single : A 916 ASN : amide:sc= -0.0894 K(o=-0.089,f=-4.6!) USER MOD Single : B 5 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.4) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.616 7.308 -13.064 1.00 0.00 N ATOM 189 CA SER A 863 -20.722 5.951 -12.488 1.00 0.00 C ATOM 190 C SER A 863 -19.858 4.925 -13.229 1.00 0.00 C ATOM 191 O SER A 863 -19.836 4.873 -14.463 1.00 0.00 O ATOM 192 CB SER A 863 -22.181 5.489 -12.469 1.00 0.00 C ATOM 193 OG SER A 863 -22.938 6.378 -11.664 1.00 0.00 O ATOM 0 HA SER A 863 -20.345 6.014 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.581 5.466 -13.483 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.249 4.475 -12.076 1.00 0.00 H new ATOM 0 HG SER A 863 -22.622 7.295 -11.804 1.00 0.00 H new ATOM 199 N ALA A 864 -19.147 4.085 -12.479 1.00 0.00 N ATOM 200 CA ALA A 864 -17.932 3.411 -12.938 1.00 0.00 C ATOM 201 C ALA A 864 -17.958 1.908 -12.634 1.00 0.00 C ATOM 202 O ALA A 864 -18.914 1.405 -12.057 1.00 0.00 O ATOM 203 CB ALA A 864 -16.748 4.114 -12.260 1.00 0.00 C ATOM 0 H ALA A 864 -19.402 3.849 -11.520 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.846 3.481 -14.022 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.817 3.643 -12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.737 5.166 -12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.848 4.033 -11.178 1.00 0.00 H new ATOM 209 N TRP A 865 -16.915 1.174 -13.005 1.00 0.00 N ATOM 210 CA TRP A 865 -16.631 -0.139 -12.410 1.00 0.00 C ATOM 211 C TRP A 865 -15.667 -0.034 -11.211 1.00 0.00 C ATOM 212 O TRP A 865 -15.152 1.038 -10.887 1.00 0.00 O ATOM 213 CB TRP A 865 -16.148 -1.077 -13.518 1.00 0.00 C ATOM 214 CG TRP A 865 -17.181 -1.364 -14.574 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.569 -0.519 -15.554 1.00 0.00 C ATOM 216 CD2 TRP A 865 -18.006 -2.556 -14.749 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.576 -1.096 -16.304 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.849 -2.384 -15.886 1.00 0.00 C ATOM 219 CE3 TRP A 865 -18.068 -3.798 -14.092 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.672 -3.421 -16.367 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.917 -4.831 -14.533 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.720 -4.647 -15.671 1.00 0.00 C ATOM 0 H TRP A 865 -16.245 1.463 -13.718 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.540 -0.563 -11.983 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.270 -0.639 -13.993 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.831 -2.019 -13.070 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -17.153 0.463 -15.726 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -19.058 -0.628 -17.072 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.447 -3.964 -13.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.261 -3.279 -17.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.951 -5.767 -13.995 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.370 -5.440 -16.011 1.00 0.00 H new ATOM 233 N VAL A 866 -15.444 -1.166 -10.541 1.00 0.00 N ATOM 234 CA VAL A 866 -14.377 -1.408 -9.554 1.00 0.00 C ATOM 235 C VAL A 866 -13.911 -2.865 -9.655 1.00 0.00 C ATOM 236 O VAL A 866 -14.716 -3.759 -9.930 1.00 0.00 O ATOM 237 CB VAL A 866 -14.823 -1.024 -8.127 1.00 0.00 C ATOM 238 CG1 VAL A 866 -16.023 -1.838 -7.638 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.706 -1.149 -7.087 1.00 0.00 C ATOM 0 H VAL A 866 -16.033 -1.988 -10.676 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.527 -0.764 -9.780 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.108 0.024 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.290 -1.523 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.870 -1.675 -8.305 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.766 -2.897 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.088 -0.864 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.354 -2.180 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.880 -0.492 -7.360 1.00 0.00 H new ATOM 249 N ARG A 867 -12.603 -3.101 -9.486 1.00 0.00 N ATOM 250 CA ARG A 867 -12.001 -4.448 -9.431 1.00 0.00 C ATOM 251 C ARG A 867 -12.115 -5.060 -8.029 1.00 0.00 C ATOM 252 O ARG A 867 -11.951 -4.338 -7.045 1.00 0.00 O ATOM 253 CB ARG A 867 -10.516 -4.371 -9.828 1.00 0.00 C ATOM 254 CG ARG A 867 -10.019 -5.560 -10.672 1.00 0.00 C ATOM 255 CD ARG A 867 -8.567 -5.347 -11.139 1.00 0.00 C ATOM 256 NE ARG A 867 -7.578 -6.012 -10.271 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.131 -5.646 -9.089 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.413 -4.492 -8.562 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.362 -6.454 -8.423 1.00 0.00 N ATOM 0 H ARG A 867 -11.919 -2.352 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.546 -5.084 -10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.349 -3.450 -10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.913 -4.308 -8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.084 -6.477 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.667 -5.689 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.460 -5.723 -12.156 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.354 -4.278 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.185 -6.878 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.002 -3.830 -9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.046 -4.248 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.111 -7.361 -8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -6.009 -6.182 -7.506 1.00 0.00 H new ATOM 273 N CYS A 868 -12.247 -6.383 -7.929 1.00 0.00 N ATOM 274 CA CYS A 868 -11.849 -7.105 -6.726 1.00 0.00 C ATOM 275 C CYS A 868 -10.305 -7.159 -6.637 1.00 0.00 C ATOM 276 O CYS A 868 -9.642 -7.820 -7.442 1.00 0.00 O ATOM 277 CB CYS A 868 -12.526 -8.484 -6.681 1.00 0.00 C ATOM 278 SG CYS A 868 -11.947 -9.379 -5.189 1.00 0.00 S ATOM 0 H CYS A 868 -12.627 -6.974 -8.668 1.00 0.00 H new ATOM 0 HA CYS A 868 -12.192 -6.578 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.610 -8.372 -6.657 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.285 -9.052 -7.579 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.794 -10.639 -5.471 1.00 0.00 H new ATOM 283 N ASP A 869 -9.736 -6.470 -5.647 1.00 0.00 N ATOM 284 CA ASP A 869 -8.314 -6.549 -5.291 1.00 0.00 C ATOM 285 C ASP A 869 -7.844 -7.943 -4.824 1.00 0.00 C ATOM 286 O ASP A 869 -6.642 -8.210 -4.836 1.00 0.00 O ATOM 287 CB ASP A 869 -8.013 -5.485 -4.225 1.00 0.00 C ATOM 288 CG ASP A 869 -7.884 -4.069 -4.815 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.478 -3.121 -4.249 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.156 -3.907 -5.826 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.261 -5.826 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.748 -6.360 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.807 -5.491 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.088 -5.745 -3.710 1.00 0.00 H new ATOM 295 N ASP A 870 -8.766 -8.838 -4.457 1.00 0.00 N ATOM 296 CA ASP A 870 -8.485 -10.232 -4.074 1.00 0.00 C ATOM 297 C ASP A 870 -8.674 -11.245 -5.231 1.00 0.00 C ATOM 298 O ASP A 870 -8.179 -12.373 -5.134 1.00 0.00 O ATOM 299 CB ASP A 870 -9.308 -10.606 -2.822 1.00 0.00 C ATOM 300 CG ASP A 870 -8.674 -10.169 -1.481 1.00 0.00 C ATOM 301 OD1 ASP A 870 -7.730 -9.341 -1.450 1.00 0.00 O ATOM 302 OD2 ASP A 870 -9.120 -10.683 -0.427 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.759 -8.609 -4.416 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.425 -10.295 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.297 -10.155 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -9.451 -11.687 -2.806 1.00 0.00 H new ATOM 307 N CYS A 871 -9.310 -10.836 -6.338 1.00 0.00 N ATOM 308 CA CYS A 871 -9.409 -11.569 -7.599 1.00 0.00 C ATOM 309 C CYS A 871 -8.744 -10.758 -8.751 1.00 0.00 C ATOM 310 O CYS A 871 -7.522 -10.721 -8.903 1.00 0.00 O ATOM 311 CB CYS A 871 -10.901 -11.917 -7.894 1.00 0.00 C ATOM 312 SG CYS A 871 -11.691 -13.051 -6.718 1.00 0.00 S ATOM 0 H CYS A 871 -9.793 -9.938 -6.375 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.865 -12.510 -7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.474 -10.990 -7.917 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.963 -12.355 -8.890 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.924 -13.256 -7.074 1.00 0.00 H new ATOM 317 N PHE A 872 -9.620 -10.160 -9.561 1.00 0.00 N ATOM 318 CA PHE A 872 -9.453 -9.388 -10.802 1.00 0.00 C ATOM 319 C PHE A 872 -10.836 -9.047 -11.411 1.00 0.00 C ATOM 320 O PHE A 872 -10.933 -8.182 -12.279 1.00 0.00 O ATOM 321 CB PHE A 872 -8.659 -10.174 -11.858 1.00 0.00 C ATOM 322 CG PHE A 872 -9.342 -11.419 -12.400 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.127 -11.342 -13.568 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.209 -12.653 -11.733 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.787 -12.484 -14.055 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.870 -13.795 -12.220 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.662 -13.710 -13.378 1.00 0.00 C ATOM 0 H PHE A 872 -10.612 -10.213 -9.328 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.909 -8.481 -10.539 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.441 -9.508 -12.693 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.702 -10.466 -11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.222 -10.402 -14.091 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.598 -12.722 -10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -11.390 -12.420 -14.949 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.769 -14.738 -11.704 1.00 0.00 H new ATOM 0 HZ PHE A 872 -11.174 -14.586 -13.748 1.00 0.00 H new ATOM 337 N LYS A 873 -11.894 -9.754 -10.967 1.00 0.00 N ATOM 338 CA LYS A 873 -13.320 -9.568 -11.291 1.00 0.00 C ATOM 339 C LYS A 873 -13.774 -8.109 -11.226 1.00 0.00 C ATOM 340 O LYS A 873 -13.231 -7.335 -10.441 1.00 0.00 O ATOM 341 CB LYS A 873 -14.147 -10.394 -10.299 1.00 0.00 C ATOM 342 CG LYS A 873 -15.528 -10.734 -10.875 1.00 0.00 C ATOM 343 CD LYS A 873 -16.034 -12.075 -10.347 1.00 0.00 C ATOM 344 CE LYS A 873 -16.541 -11.939 -8.907 1.00 0.00 C ATOM 345 NZ LYS A 873 -16.418 -13.207 -8.148 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.761 -10.532 -10.321 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.468 -9.895 -12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.615 -11.314 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.265 -9.838 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -16.237 -9.948 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.473 -10.766 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.837 -12.443 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -15.232 -12.812 -10.386 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -15.978 -11.157 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.585 -11.625 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -16.864 -13.098 -7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -16.891 -13.972 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -15.412 -13.442 -8.025 1.00 0.00 H new ATOM 359 N TRP A 874 -14.817 -7.760 -11.978 1.00 0.00 N ATOM 360 CA TRP A 874 -15.334 -6.390 -12.072 1.00 0.00 C ATOM 361 C TRP A 874 -16.795 -6.267 -11.619 1.00 0.00 C ATOM 362 O TRP A 874 -17.596 -7.179 -11.837 1.00 0.00 O ATOM 363 CB TRP A 874 -15.160 -5.898 -13.515 1.00 0.00 C ATOM 364 CG TRP A 874 -13.758 -5.968 -14.035 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.224 -6.931 -14.826 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.664 -5.060 -13.727 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.872 -6.696 -14.982 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.480 -5.559 -14.335 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.547 -3.875 -12.976 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.238 -4.932 -14.219 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.296 -3.246 -12.837 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.148 -3.745 -13.474 1.00 0.00 C ATOM 0 H TRP A 874 -15.336 -8.428 -12.548 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.762 -5.763 -11.388 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.804 -6.489 -14.166 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.505 -4.866 -13.577 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.770 -7.753 -15.265 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.244 -7.298 -15.515 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.420 -3.447 -12.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.363 -5.352 -14.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.217 -2.359 -12.226 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.207 -3.222 -13.392 1.00 0.00 H new ATOM 383 N ARG A 875 -17.162 -5.105 -11.059 1.00 0.00 N ATOM 384 CA ARG A 875 -18.545 -4.735 -10.697 1.00 0.00 C ATOM 385 C ARG A 875 -18.850 -3.265 -10.971 1.00 0.00 C ATOM 386 O ARG A 875 -18.023 -2.411 -10.674 1.00 0.00 O ATOM 387 CB ARG A 875 -18.817 -5.054 -9.216 1.00 0.00 C ATOM 388 CG ARG A 875 -19.083 -6.541 -8.931 1.00 0.00 C ATOM 389 CD ARG A 875 -20.238 -7.149 -9.745 1.00 0.00 C ATOM 390 NE ARG A 875 -21.450 -6.293 -9.770 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.069 -5.814 -10.835 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.645 -5.994 -12.051 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.143 -5.104 -10.724 1.00 0.00 N ATOM 0 H ARG A 875 -16.487 -4.373 -10.838 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.204 -5.330 -11.330 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.962 -4.729 -8.623 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.676 -4.472 -8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.174 -7.106 -9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.300 -6.661 -7.870 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.902 -7.322 -10.767 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.497 -8.122 -9.326 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.850 -6.047 -8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -20.793 -6.529 -12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.164 -5.600 -12.836 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.529 -4.904 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.605 -4.744 -11.559 1.00 0.00 H new ATOM 407 N ARG A 876 -20.032 -2.978 -11.530 1.00 0.00 N ATOM 408 CA ARG A 876 -20.529 -1.623 -11.832 1.00 0.00 C ATOM 409 C ARG A 876 -21.123 -0.985 -10.566 1.00 0.00 C ATOM 410 O ARG A 876 -21.988 -1.567 -9.914 1.00 0.00 O ATOM 411 CB ARG A 876 -21.501 -1.683 -13.034 1.00 0.00 C ATOM 412 CG ARG A 876 -21.363 -0.489 -13.997 1.00 0.00 C ATOM 413 CD ARG A 876 -21.851 0.840 -13.412 1.00 0.00 C ATOM 414 NE ARG A 876 -21.524 1.982 -14.288 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.194 2.417 -15.340 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.281 1.839 -15.768 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -21.772 3.462 -15.989 1.00 0.00 N ATOM 0 H ARG A 876 -20.695 -3.706 -11.795 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.712 -0.969 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.327 -2.607 -13.586 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.525 -1.723 -12.662 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.317 -0.386 -14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.924 -0.702 -14.907 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -22.930 0.796 -13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.398 0.993 -12.432 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.677 2.499 -14.052 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.645 1.017 -15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.767 2.208 -16.585 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -20.926 3.943 -15.685 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.287 3.800 -16.802 1.00 0.00 H new ATOM 431 N ILE A 877 -20.633 0.205 -10.232 1.00 0.00 N ATOM 432 CA ILE A 877 -20.901 0.989 -9.017 1.00 0.00 C ATOM 433 C ILE A 877 -21.257 2.449 -9.353 1.00 0.00 C ATOM 434 O ILE A 877 -20.876 2.951 -10.416 1.00 0.00 O ATOM 435 CB ILE A 877 -19.660 0.946 -8.090 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.416 1.580 -8.768 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.410 -0.501 -7.629 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.212 1.766 -7.846 1.00 0.00 C ATOM 0 H ILE A 877 -19.984 0.691 -10.851 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.758 0.548 -8.508 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.856 1.552 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.119 0.954 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.697 2.551 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.537 -0.529 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.281 -0.865 -7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.235 -1.135 -8.498 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.391 2.215 -8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.486 2.419 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.899 0.797 -7.457 1.00 0.00 H new ATOM 450 N PRO A 878 -21.917 3.190 -8.448 1.00 0.00 N ATOM 451 CA PRO A 878 -21.970 4.643 -8.545 1.00 0.00 C ATOM 452 C PRO A 878 -20.603 5.276 -8.251 1.00 0.00 C ATOM 453 O PRO A 878 -19.806 4.781 -7.449 1.00 0.00 O ATOM 454 CB PRO A 878 -23.034 5.073 -7.531 1.00 0.00 C ATOM 455 CG PRO A 878 -22.925 4.000 -6.446 1.00 0.00 C ATOM 456 CD PRO A 878 -22.590 2.735 -7.238 1.00 0.00 C ATOM 0 HA PRO A 878 -22.224 4.975 -9.552 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.836 6.069 -7.135 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.029 5.099 -7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.147 4.239 -5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.857 3.893 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.948 2.070 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.493 2.175 -7.480 1.00 0.00 H new ATOM 464 N ALA A 879 -20.360 6.435 -8.857 1.00 0.00 N ATOM 465 CA ALA A 879 -19.149 7.239 -8.674 1.00 0.00 C ATOM 466 C ALA A 879 -18.856 7.643 -7.214 1.00 0.00 C ATOM 467 O ALA A 879 -17.703 7.871 -6.857 1.00 0.00 O ATOM 468 CB ALA A 879 -19.327 8.494 -9.525 1.00 0.00 C ATOM 0 H ALA A 879 -21.020 6.856 -9.511 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.295 6.632 -8.973 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.448 9.130 -9.424 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.451 8.210 -10.570 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.210 9.039 -9.190 1.00 0.00 H new ATOM 474 N SER A 880 -19.875 7.670 -6.351 1.00 0.00 N ATOM 475 CA SER A 880 -19.731 7.911 -4.906 1.00 0.00 C ATOM 476 C SER A 880 -18.824 6.866 -4.234 1.00 0.00 C ATOM 477 O SER A 880 -18.093 7.184 -3.293 1.00 0.00 O ATOM 478 CB SER A 880 -21.127 7.913 -4.266 1.00 0.00 C ATOM 479 OG SER A 880 -21.076 8.178 -2.874 1.00 0.00 O ATOM 0 H SER A 880 -20.842 7.523 -6.639 1.00 0.00 H new ATOM 0 HA SER A 880 -19.251 8.879 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.748 8.664 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.603 6.947 -4.433 1.00 0.00 H new ATOM 0 HG SER A 880 -21.984 8.172 -2.506 1.00 0.00 H new ATOM 485 N VAL A 881 -18.798 5.635 -4.765 1.00 0.00 N ATOM 486 CA VAL A 881 -17.893 4.564 -4.324 1.00 0.00 C ATOM 487 C VAL A 881 -16.543 4.691 -5.010 1.00 0.00 C ATOM 488 O VAL A 881 -15.508 4.606 -4.349 1.00 0.00 O ATOM 489 CB VAL A 881 -18.535 3.178 -4.550 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.637 1.982 -4.220 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.807 3.026 -3.702 1.00 0.00 C ATOM 0 H VAL A 881 -19.416 5.351 -5.526 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.722 4.666 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.739 3.157 -5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.179 1.056 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.743 2.015 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.349 2.022 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.245 2.043 -3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.555 3.130 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.525 3.797 -3.982 1.00 0.00 H new ATOM 501 N VAL A 882 -16.517 4.987 -6.313 1.00 0.00 N ATOM 502 CA VAL A 882 -15.233 5.071 -7.038 1.00 0.00 C ATOM 503 C VAL A 882 -14.374 6.264 -6.575 1.00 0.00 C ATOM 504 O VAL A 882 -13.149 6.238 -6.695 1.00 0.00 O ATOM 505 CB VAL A 882 -15.414 4.998 -8.572 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.445 6.362 -9.263 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.284 4.177 -9.207 1.00 0.00 C ATOM 0 H VAL A 882 -17.344 5.169 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.663 4.181 -6.771 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.386 4.527 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.575 6.223 -10.336 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.274 6.950 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.508 6.886 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.427 4.136 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.325 4.645 -8.985 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.296 3.166 -8.800 1.00 0.00 H new ATOM 517 N GLY A 883 -15.020 7.267 -5.970 1.00 0.00 N ATOM 518 CA GLY A 883 -14.407 8.437 -5.329 1.00 0.00 C ATOM 519 C GLY A 883 -14.101 8.267 -3.831 1.00 0.00 C ATOM 520 O GLY A 883 -13.750 9.240 -3.162 1.00 0.00 O ATOM 0 H GLY A 883 -16.038 7.286 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.480 8.675 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.071 9.292 -5.455 1.00 0.00 H new ATOM 524 N SER A 884 -14.268 7.052 -3.292 1.00 0.00 N ATOM 525 CA SER A 884 -14.076 6.708 -1.870 1.00 0.00 C ATOM 526 C SER A 884 -13.173 5.477 -1.660 1.00 0.00 C ATOM 527 O SER A 884 -12.518 5.353 -0.623 1.00 0.00 O ATOM 528 CB SER A 884 -15.455 6.504 -1.223 1.00 0.00 C ATOM 529 OG SER A 884 -15.367 6.349 0.186 1.00 0.00 O ATOM 0 H SER A 884 -14.551 6.249 -3.853 1.00 0.00 H new ATOM 0 HA SER A 884 -13.553 7.535 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.093 7.357 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 884 -15.931 5.624 -1.655 1.00 0.00 H new ATOM 0 HG SER A 884 -16.265 6.223 0.558 1.00 0.00 H new ATOM 535 N ILE A 885 -13.098 4.576 -2.645 1.00 0.00 N ATOM 536 CA ILE A 885 -12.127 3.471 -2.703 1.00 0.00 C ATOM 537 C ILE A 885 -10.714 4.043 -2.958 1.00 0.00 C ATOM 538 O ILE A 885 -10.509 4.812 -3.897 1.00 0.00 O ATOM 539 CB ILE A 885 -12.616 2.448 -3.763 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.575 1.381 -3.188 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.489 1.656 -4.436 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.725 1.895 -2.321 1.00 0.00 C ATOM 0 H ILE A 885 -13.727 4.593 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.056 2.932 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.120 3.090 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.999 0.820 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.989 0.679 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -11.914 0.964 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -10.813 2.344 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.937 1.096 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.326 1.053 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.322 2.428 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.348 2.571 -2.907 1.00 0.00 H new ATOM 603 N ARG A 890 -8.989 -2.287 0.313 1.00 0.00 N ATOM 604 CA ARG A 890 -9.223 -3.279 -0.747 1.00 0.00 C ATOM 605 C ARG A 890 -10.724 -3.439 -0.962 1.00 0.00 C ATOM 606 O ARG A 890 -11.424 -3.940 -0.079 1.00 0.00 O ATOM 607 CB ARG A 890 -8.573 -4.637 -0.426 1.00 0.00 C ATOM 608 CG ARG A 890 -7.060 -4.664 -0.674 1.00 0.00 C ATOM 609 CD ARG A 890 -6.552 -6.111 -0.666 1.00 0.00 C ATOM 610 NE ARG A 890 -5.123 -6.182 -1.020 1.00 0.00 N ATOM 611 CZ ARG A 890 -4.489 -7.216 -1.548 1.00 0.00 C ATOM 612 NH1 ARG A 890 -5.073 -8.351 -1.807 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -3.221 -7.125 -1.832 1.00 0.00 N ATOM 0 HA ARG A 890 -8.755 -2.916 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.767 -4.886 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -9.046 -5.410 -1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.832 -4.195 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.547 -4.086 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.706 -6.547 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.133 -6.706 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 890 -4.565 -5.347 -0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.065 -8.473 -1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -4.539 -9.118 -2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -2.718 -6.257 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -2.731 -7.922 -2.239 1.00 0.00 H new ATOM 627 N TRP A 891 -11.218 -3.045 -2.136 1.00 0.00 N ATOM 628 CA TRP A 891 -12.559 -3.437 -2.575 1.00 0.00 C ATOM 629 C TRP A 891 -12.500 -4.876 -3.088 1.00 0.00 C ATOM 630 O TRP A 891 -11.633 -5.199 -3.900 1.00 0.00 O ATOM 631 CB TRP A 891 -13.085 -2.483 -3.648 1.00 0.00 C ATOM 632 CG TRP A 891 -14.558 -2.581 -3.902 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.457 -1.719 -3.387 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.343 -3.570 -4.648 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.726 -2.049 -3.798 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.725 -3.212 -4.539 1.00 0.00 C ATOM 637 CE3 TRP A 891 -15.044 -4.739 -5.384 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.751 -3.984 -5.098 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -16.070 -5.523 -5.953 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.415 -5.152 -5.798 1.00 0.00 C ATOM 0 H TRP A 891 -10.712 -2.457 -2.798 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.253 -3.381 -1.736 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.848 -1.461 -3.354 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.555 -2.678 -4.580 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.214 -0.887 -2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.561 -1.504 -3.583 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -14.014 -5.037 -5.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.783 -3.685 -4.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.819 -6.413 -6.511 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -18.195 -5.769 -6.220 1.00 0.00 H new ATOM 651 N ILE A 892 -13.388 -5.741 -2.601 1.00 0.00 N ATOM 652 CA ILE A 892 -13.435 -7.166 -2.959 1.00 0.00 C ATOM 653 C ILE A 892 -14.879 -7.667 -3.088 1.00 0.00 C ATOM 654 O ILE A 892 -15.801 -7.046 -2.548 1.00 0.00 O ATOM 655 CB ILE A 892 -12.630 -8.015 -1.941 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.309 -8.019 -0.557 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.165 -7.552 -1.832 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.901 -9.212 0.305 1.00 0.00 C ATOM 0 H ILE A 892 -14.110 -5.470 -1.934 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.967 -7.280 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.620 -9.037 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.058 -7.097 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.391 -8.027 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.640 -8.175 -1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.682 -7.641 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.135 -6.512 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.412 -9.158 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.176 -10.137 -0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.823 -9.193 0.466 1.00 0.00 H new ATOM 670 N CYS A 893 -15.079 -8.832 -3.710 1.00 0.00 N ATOM 671 CA CYS A 893 -16.383 -9.471 -3.825 1.00 0.00 C ATOM 672 C CYS A 893 -17.134 -9.573 -2.472 1.00 0.00 C ATOM 673 O CYS A 893 -18.318 -9.254 -2.416 1.00 0.00 O ATOM 674 CB CYS A 893 -16.246 -10.849 -4.486 1.00 0.00 C ATOM 675 SG CYS A 893 -15.250 -10.881 -6.015 1.00 0.00 S ATOM 0 H CYS A 893 -14.327 -9.361 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.994 -8.830 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.801 -11.537 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.243 -11.226 -4.713 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.047 -10.461 -5.758 1.00 0.00 H new ATOM 680 N MET A 894 -16.485 -9.992 -1.374 1.00 0.00 N ATOM 681 CA MET A 894 -17.179 -10.180 -0.083 1.00 0.00 C ATOM 682 C MET A 894 -17.752 -8.864 0.495 1.00 0.00 C ATOM 683 O MET A 894 -18.721 -8.877 1.255 1.00 0.00 O ATOM 684 CB MET A 894 -16.219 -10.875 0.898 1.00 0.00 C ATOM 685 CG MET A 894 -16.838 -11.255 2.249 1.00 0.00 C ATOM 686 SD MET A 894 -18.173 -12.481 2.164 1.00 0.00 S ATOM 687 CE MET A 894 -18.592 -12.589 3.924 1.00 0.00 C ATOM 0 H MET A 894 -15.488 -10.207 -1.350 1.00 0.00 H new ATOM 0 HA MET A 894 -18.050 -10.814 -0.249 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.831 -11.778 0.426 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.368 -10.218 1.077 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.051 -11.642 2.896 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.224 -10.352 2.721 1.00 0.00 H new ATOM 0 HE1 MET A 894 -19.403 -13.304 4.062 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.718 -12.918 4.486 1.00 0.00 H new ATOM 0 HE3 MET A 894 -18.907 -11.610 4.284 1.00 0.00 H new ATOM 697 N ASN A 895 -17.183 -7.718 0.102 1.00 0.00 N ATOM 698 CA ASN A 895 -17.644 -6.370 0.463 1.00 0.00 C ATOM 699 C ASN A 895 -18.760 -5.829 -0.466 1.00 0.00 C ATOM 700 O ASN A 895 -19.395 -4.824 -0.143 1.00 0.00 O ATOM 701 CB ASN A 895 -16.397 -5.453 0.549 1.00 0.00 C ATOM 702 CG ASN A 895 -16.412 -4.231 -0.357 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.497 -3.094 0.084 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.317 -4.425 -1.650 1.00 0.00 N ATOM 0 H ASN A 895 -16.358 -7.702 -0.498 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.134 -6.399 1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.287 -5.117 1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.515 -6.047 0.312 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.314 -3.628 -2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.246 -5.373 -2.020 1.00 0.00 H new ATOM 711 N ASN A 896 -18.978 -6.469 -1.622 1.00 0.00 N ATOM 712 CA ASN A 896 -19.887 -6.015 -2.681 1.00 0.00 C ATOM 713 C ASN A 896 -21.326 -5.793 -2.177 1.00 0.00 C ATOM 714 O ASN A 896 -21.908 -6.633 -1.484 1.00 0.00 O ATOM 715 CB ASN A 896 -19.857 -7.036 -3.835 1.00 0.00 C ATOM 716 CG ASN A 896 -20.684 -6.689 -5.057 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.167 -5.584 -5.252 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.891 -7.651 -5.922 1.00 0.00 N ATOM 0 H ASN A 896 -18.511 -7.346 -1.853 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.541 -5.043 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.821 -7.168 -4.148 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.199 -7.997 -3.451 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.454 -7.476 -6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.489 -8.575 -5.763 1.00 0.00 H new ATOM 725 N SER A 897 -21.913 -4.676 -2.603 1.00 0.00 N ATOM 726 CA SER A 897 -23.332 -4.343 -2.425 1.00 0.00 C ATOM 727 C SER A 897 -24.287 -5.383 -3.026 1.00 0.00 C ATOM 728 O SER A 897 -25.298 -5.741 -2.420 1.00 0.00 O ATOM 729 CB SER A 897 -23.614 -3.014 -3.129 1.00 0.00 C ATOM 730 OG SER A 897 -22.998 -1.940 -2.436 1.00 0.00 O ATOM 0 H SER A 897 -21.398 -3.949 -3.100 1.00 0.00 H new ATOM 0 HA SER A 897 -23.508 -4.303 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.243 -3.053 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.690 -2.848 -3.186 1.00 0.00 H new ATOM 0 HG SER A 897 -23.188 -1.099 -2.901 1.00 0.00 H new ATOM 736 N ASP A 898 -23.974 -5.853 -4.232 1.00 0.00 N ATOM 737 CA ASP A 898 -24.827 -6.751 -5.018 1.00 0.00 C ATOM 738 C ASP A 898 -24.636 -8.222 -4.627 1.00 0.00 C ATOM 739 O ASP A 898 -23.698 -8.894 -5.056 1.00 0.00 O ATOM 740 CB ASP A 898 -24.589 -6.572 -6.526 1.00 0.00 C ATOM 741 CG ASP A 898 -24.699 -5.130 -7.052 1.00 0.00 C ATOM 742 OD1 ASP A 898 -24.021 -4.838 -8.064 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.484 -4.315 -6.511 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.101 -5.616 -4.703 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.857 -6.476 -4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.596 -6.952 -6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.306 -7.191 -7.064 1.00 0.00 H new ATOM 748 N LYS A 899 -25.603 -8.752 -3.877 1.00 0.00 N ATOM 749 CA LYS A 899 -25.663 -10.146 -3.388 1.00 0.00 C ATOM 750 C LYS A 899 -25.700 -11.190 -4.518 1.00 0.00 C ATOM 751 O LYS A 899 -25.381 -12.357 -4.293 1.00 0.00 O ATOM 752 CB LYS A 899 -26.881 -10.303 -2.456 1.00 0.00 C ATOM 753 CG LYS A 899 -26.835 -9.388 -1.218 1.00 0.00 C ATOM 754 CD LYS A 899 -26.016 -10.017 -0.088 1.00 0.00 C ATOM 755 CE LYS A 899 -26.821 -11.115 0.622 1.00 0.00 C ATOM 756 NZ LYS A 899 -26.042 -11.746 1.720 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.407 -8.202 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.741 -10.340 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.789 -10.091 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.945 -11.340 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.402 -8.426 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.849 -9.194 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -25.095 -10.438 -0.491 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.728 -9.249 0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.740 -10.689 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -27.114 -11.877 -0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -26.618 -12.482 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -25.178 -12.174 1.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -25.784 -11.024 2.422 1.00 0.00 H new ATOM 770 N ARG A 900 -26.008 -10.746 -5.743 1.00 0.00 N ATOM 771 CA ARG A 900 -25.876 -11.485 -7.014 1.00 0.00 C ATOM 772 C ARG A 900 -24.439 -11.956 -7.271 1.00 0.00 C ATOM 773 O ARG A 900 -24.247 -13.020 -7.857 1.00 0.00 O ATOM 774 CB ARG A 900 -26.327 -10.564 -8.167 1.00 0.00 C ATOM 775 CG ARG A 900 -27.838 -10.259 -8.149 1.00 0.00 C ATOM 776 CD ARG A 900 -28.208 -9.057 -9.030 1.00 0.00 C ATOM 777 NE ARG A 900 -27.943 -9.292 -10.466 1.00 0.00 N ATOM 778 CZ ARG A 900 -27.516 -8.407 -11.351 1.00 0.00 C ATOM 779 NH1 ARG A 900 -27.234 -7.173 -11.053 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -27.338 -8.727 -12.597 1.00 0.00 N ATOM 0 H ARG A 900 -26.378 -9.806 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.501 -12.376 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -25.774 -9.627 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.069 -11.031 -9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.386 -11.137 -8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.153 -10.064 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -29.264 -8.825 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -27.645 -8.184 -8.700 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.107 -10.238 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -27.339 -6.843 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -26.908 -6.535 -11.779 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -27.528 -9.678 -12.911 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -27.008 -8.027 -13.261 1.00 0.00 H new ATOM 794 N PHE A 901 -23.442 -11.185 -6.817 1.00 0.00 N ATOM 795 CA PHE A 901 -22.018 -11.394 -7.124 1.00 0.00 C ATOM 796 C PHE A 901 -21.060 -11.144 -5.937 1.00 0.00 C ATOM 797 O PHE A 901 -19.864 -10.930 -6.129 1.00 0.00 O ATOM 798 CB PHE A 901 -21.620 -10.533 -8.341 1.00 0.00 C ATOM 799 CG PHE A 901 -22.544 -10.575 -9.548 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.277 -9.429 -9.911 1.00 0.00 C ATOM 801 CD2 PHE A 901 -22.670 -11.744 -10.323 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.150 -9.464 -11.009 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.529 -11.775 -11.435 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.275 -10.634 -11.776 1.00 0.00 C ATOM 0 H PHE A 901 -23.605 -10.380 -6.212 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.907 -12.454 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.540 -9.497 -8.011 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.626 -10.842 -8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -23.167 -8.518 -9.341 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.102 -12.624 -10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -24.728 -8.588 -11.265 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.616 -12.674 -12.027 1.00 0.00 H new ATOM 0 HZ PHE A 901 -24.942 -10.657 -12.625 1.00 0.00 H new ATOM 814 N ALA A 902 -21.565 -11.131 -4.703 1.00 0.00 N ATOM 815 CA ALA A 902 -20.836 -10.753 -3.487 1.00 0.00 C ATOM 816 C ALA A 902 -20.009 -11.888 -2.850 1.00 0.00 C ATOM 817 O ALA A 902 -19.929 -12.026 -1.629 1.00 0.00 O ATOM 818 CB ALA A 902 -21.793 -10.063 -2.502 1.00 0.00 C ATOM 0 H ALA A 902 -22.532 -11.394 -4.513 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.069 -10.037 -3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.248 -9.784 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.210 -9.169 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.601 -10.746 -2.241 1.00 0.00 H new ATOM 824 N ASP A 903 -19.375 -12.697 -3.696 1.00 0.00 N ATOM 825 CA ASP A 903 -18.432 -13.748 -3.320 1.00 0.00 C ATOM 826 C ASP A 903 -17.314 -13.876 -4.356 1.00 0.00 C ATOM 827 O ASP A 903 -17.549 -13.785 -5.565 1.00 0.00 O ATOM 828 CB ASP A 903 -19.148 -15.097 -3.158 1.00 0.00 C ATOM 829 CG ASP A 903 -20.132 -15.165 -1.976 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.669 -15.326 -0.820 1.00 0.00 O ATOM 831 OD2 ASP A 903 -21.365 -15.147 -2.204 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.510 -12.635 -4.705 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.993 -13.468 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.690 -15.318 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.398 -15.878 -3.034 1.00 0.00 H new ATOM 836 N CYS A 904 -16.101 -14.178 -3.897 1.00 0.00 N ATOM 837 CA CYS A 904 -14.969 -14.474 -4.763 1.00 0.00 C ATOM 838 C CYS A 904 -15.244 -15.702 -5.683 1.00 0.00 C ATOM 839 O CYS A 904 -14.619 -15.841 -6.738 1.00 0.00 O ATOM 840 CB CYS A 904 -13.731 -14.582 -3.853 1.00 0.00 C ATOM 841 SG CYS A 904 -13.299 -12.925 -3.184 1.00 0.00 S ATOM 0 H CYS A 904 -15.878 -14.224 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.786 -13.679 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.930 -15.274 -3.034 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.890 -14.987 -4.415 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.255 -13.026 -2.416 1.00 0.00 H new ATOM 846 N SER A 905 -16.215 -16.548 -5.312 1.00 0.00 N ATOM 847 CA SER A 905 -16.670 -17.712 -6.086 1.00 0.00 C ATOM 848 C SER A 905 -17.768 -17.391 -7.117 1.00 0.00 C ATOM 849 O SER A 905 -18.013 -18.196 -8.019 1.00 0.00 O ATOM 850 CB SER A 905 -17.204 -18.792 -5.137 1.00 0.00 C ATOM 851 OG SER A 905 -16.247 -19.139 -4.145 1.00 0.00 O ATOM 0 H SER A 905 -16.723 -16.437 -4.434 1.00 0.00 H new ATOM 0 HA SER A 905 -15.796 -18.056 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.115 -18.436 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.473 -19.680 -5.710 1.00 0.00 H new ATOM 0 HG SER A 905 -16.621 -19.828 -3.557 1.00 0.00 H new ATOM 857 N LYS A 906 -18.457 -16.245 -6.986 1.00 0.00 N ATOM 858 CA LYS A 906 -19.561 -15.823 -7.876 1.00 0.00 C ATOM 859 C LYS A 906 -19.094 -15.328 -9.256 1.00 0.00 C ATOM 860 O LYS A 906 -17.899 -15.180 -9.514 1.00 0.00 O ATOM 861 CB LYS A 906 -20.393 -14.733 -7.175 1.00 0.00 C ATOM 862 CG LYS A 906 -21.529 -15.208 -6.256 1.00 0.00 C ATOM 863 CD LYS A 906 -22.736 -15.857 -6.962 1.00 0.00 C ATOM 864 CE LYS A 906 -22.649 -17.391 -7.008 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.883 -17.989 -7.586 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.262 -15.571 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.167 -16.709 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.715 -14.116 -6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -20.824 -14.090 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.120 -15.925 -5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.885 -14.355 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.651 -15.565 -6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.806 -15.472 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.786 -17.690 -7.602 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.493 -17.778 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.792 -19.025 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.703 -17.723 -7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.018 -17.638 -8.556 1.00 0.00 H new ATOM 879 N SER A 907 -20.070 -15.036 -10.118 1.00 0.00 N ATOM 880 CA SER A 907 -19.890 -14.501 -11.476 1.00 0.00 C ATOM 881 C SER A 907 -19.809 -12.956 -11.491 1.00 0.00 C ATOM 882 O SER A 907 -19.459 -12.336 -10.485 1.00 0.00 O ATOM 883 CB SER A 907 -21.011 -15.076 -12.359 1.00 0.00 C ATOM 884 OG SER A 907 -20.754 -14.871 -13.739 1.00 0.00 O ATOM 0 H SER A 907 -21.053 -15.171 -9.881 1.00 0.00 H new ATOM 0 HA SER A 907 -18.929 -14.815 -11.885 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.116 -16.143 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.959 -14.609 -12.093 1.00 0.00 H new ATOM 0 HG SER A 907 -21.486 -15.251 -14.268 1.00 0.00 H new ATOM 890 N GLN A 908 -20.125 -12.335 -12.628 1.00 0.00 N ATOM 891 CA GLN A 908 -20.167 -10.888 -12.894 1.00 0.00 C ATOM 892 C GLN A 908 -21.102 -10.581 -14.088 1.00 0.00 C ATOM 893 O GLN A 908 -21.459 -11.487 -14.845 1.00 0.00 O ATOM 894 CB GLN A 908 -18.732 -10.384 -13.153 1.00 0.00 C ATOM 895 CG GLN A 908 -18.165 -10.856 -14.502 1.00 0.00 C ATOM 896 CD GLN A 908 -16.641 -10.968 -14.519 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.068 -11.966 -14.109 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.918 -9.981 -15.009 1.00 0.00 N ATOM 0 H GLN A 908 -20.380 -12.871 -13.458 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.572 -10.365 -12.028 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.724 -9.294 -13.123 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.081 -10.730 -12.350 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.595 -11.827 -14.748 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.479 -10.162 -15.282 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.375 -9.138 -15.357 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.902 -10.060 -15.040 1.00 0.00 H new ATOM 907 N GLU A 909 -21.487 -9.315 -14.302 1.00 0.00 N ATOM 908 CA GLU A 909 -22.405 -8.942 -15.403 1.00 0.00 C ATOM 909 C GLU A 909 -21.764 -8.976 -16.805 1.00 0.00 C ATOM 910 O GLU A 909 -22.473 -9.201 -17.787 1.00 0.00 O ATOM 911 CB GLU A 909 -23.026 -7.560 -15.137 1.00 0.00 C ATOM 912 CG GLU A 909 -23.987 -7.626 -13.942 1.00 0.00 C ATOM 913 CD GLU A 909 -24.696 -6.295 -13.645 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.003 -5.261 -13.489 1.00 0.00 O ATOM 915 OE2 GLU A 909 -25.939 -6.306 -13.470 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.180 -8.528 -13.731 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.180 -9.708 -15.412 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.239 -6.833 -14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.561 -7.218 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -24.738 -8.393 -14.133 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.432 -7.937 -13.057 1.00 0.00 H new ATOM 922 N MET A 910 -20.440 -8.794 -16.904 1.00 0.00 N ATOM 923 CA MET A 910 -19.653 -8.904 -18.147 1.00 0.00 C ATOM 924 C MET A 910 -18.240 -9.394 -17.838 1.00 0.00 C ATOM 925 O MET A 910 -17.557 -8.813 -16.990 1.00 0.00 O ATOM 926 CB MET A 910 -19.520 -7.562 -18.884 1.00 0.00 C ATOM 927 CG MET A 910 -20.799 -7.023 -19.528 1.00 0.00 C ATOM 928 SD MET A 910 -21.377 -7.988 -20.953 1.00 0.00 S ATOM 929 CE MET A 910 -22.855 -7.027 -21.379 1.00 0.00 C ATOM 0 H MET A 910 -19.865 -8.558 -16.095 1.00 0.00 H new ATOM 0 HA MET A 910 -20.190 -9.608 -18.782 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.150 -6.818 -18.179 1.00 0.00 H new ATOM 0 HB3 MET A 910 -18.763 -7.670 -19.661 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.588 -6.997 -18.776 1.00 0.00 H new ATOM 0 HG3 MET A 910 -20.627 -5.994 -19.845 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.345 -7.477 -22.242 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.542 -7.022 -20.533 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.567 -6.003 -21.618 1.00 0.00 H new ATOM 939 N SER A 911 -17.789 -10.437 -18.536 1.00 0.00 N ATOM 940 CA SER A 911 -16.463 -11.054 -18.340 1.00 0.00 C ATOM 941 C SER A 911 -15.345 -10.052 -18.631 1.00 0.00 C ATOM 942 O SER A 911 -15.561 -9.067 -19.330 1.00 0.00 O ATOM 943 CB SER A 911 -16.267 -12.280 -19.240 1.00 0.00 C ATOM 944 OG SER A 911 -17.441 -13.075 -19.323 1.00 0.00 O ATOM 0 H SER A 911 -18.339 -10.889 -19.267 1.00 0.00 H new ATOM 0 HA SER A 911 -16.417 -11.368 -17.297 1.00 0.00 H new ATOM 0 HB2 SER A 911 -15.980 -11.953 -20.239 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.447 -12.885 -18.854 1.00 0.00 H new ATOM 0 HG SER A 911 -17.274 -13.844 -19.907 1.00 0.00 H new ATOM 950 N ASN A 912 -14.124 -10.289 -18.151 1.00 0.00 N ATOM 951 CA ASN A 912 -13.027 -9.313 -18.286 1.00 0.00 C ATOM 952 C ASN A 912 -12.626 -9.061 -19.761 1.00 0.00 C ATOM 953 O ASN A 912 -12.227 -7.947 -20.089 1.00 0.00 O ATOM 954 CB ASN A 912 -11.866 -9.772 -17.367 1.00 0.00 C ATOM 955 CG ASN A 912 -10.572 -8.976 -17.436 1.00 0.00 C ATOM 956 OD1 ASN A 912 -9.485 -9.508 -17.291 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.632 -7.678 -17.619 1.00 0.00 N ATOM 0 H ASN A 912 -13.863 -11.147 -17.664 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.354 -8.328 -17.954 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.221 -9.751 -16.337 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.637 -10.811 -17.604 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -9.775 -7.126 -17.639 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -11.536 -7.221 -17.742 1.00 0.00 H new ATOM 964 N GLU A 913 -12.839 -10.033 -20.654 1.00 0.00 N ATOM 965 CA GLU A 913 -12.705 -9.900 -22.119 1.00 0.00 C ATOM 966 C GLU A 913 -13.907 -9.187 -22.806 1.00 0.00 C ATOM 967 O GLU A 913 -13.923 -8.988 -24.021 1.00 0.00 O ATOM 968 CB GLU A 913 -12.445 -11.311 -22.683 1.00 0.00 C ATOM 969 CG GLU A 913 -11.955 -11.352 -24.141 1.00 0.00 C ATOM 970 CD GLU A 913 -11.332 -12.715 -24.520 1.00 0.00 C ATOM 971 OE1 GLU A 913 -10.283 -12.735 -25.211 1.00 0.00 O ATOM 972 OE2 GLU A 913 -11.889 -13.783 -24.160 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.120 -10.972 -20.371 1.00 0.00 H new ATOM 0 HA GLU A 913 -11.867 -9.239 -22.342 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.706 -11.806 -22.054 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.366 -11.890 -22.609 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -12.791 -11.141 -24.808 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -11.218 -10.564 -24.295 1.00 0.00 H new ATOM 979 N GLU A 914 -14.926 -8.787 -22.036 1.00 0.00 N ATOM 980 CA GLU A 914 -16.100 -8.012 -22.469 1.00 0.00 C ATOM 981 C GLU A 914 -16.126 -6.613 -21.821 1.00 0.00 C ATOM 982 O GLU A 914 -16.293 -5.616 -22.521 1.00 0.00 O ATOM 983 CB GLU A 914 -17.396 -8.777 -22.140 1.00 0.00 C ATOM 984 CG GLU A 914 -17.508 -10.185 -22.752 1.00 0.00 C ATOM 985 CD GLU A 914 -17.499 -10.218 -24.297 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.014 -11.223 -24.874 1.00 0.00 O ATOM 987 OE2 GLU A 914 -18.029 -9.287 -24.952 1.00 0.00 O1- ATOM 0 H GLU A 914 -14.958 -9.006 -21.040 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.030 -7.877 -23.548 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.482 -8.863 -21.057 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.244 -8.183 -22.481 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -16.682 -10.793 -22.384 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.428 -10.649 -22.397 1.00 0.00 H new ATOM 994 N ILE A 915 -15.884 -6.500 -20.503 1.00 0.00 N ATOM 995 CA ILE A 915 -15.760 -5.208 -19.793 1.00 0.00 C ATOM 996 C ILE A 915 -14.411 -4.486 -19.992 1.00 0.00 C ATOM 997 O ILE A 915 -14.077 -3.480 -19.373 1.00 0.00 O ATOM 998 CB ILE A 915 -16.167 -5.322 -18.317 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.263 -3.957 -17.603 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.250 -6.224 -17.483 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.851 -2.844 -18.487 1.00 0.00 C ATOM 0 H ILE A 915 -15.767 -7.309 -19.892 1.00 0.00 H new ATOM 0 HA ILE A 915 -16.481 -4.550 -20.277 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.155 -5.779 -18.373 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.879 -4.065 -16.710 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.269 -3.659 -17.270 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.605 -6.251 -16.453 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.258 -7.233 -17.896 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.234 -5.830 -17.506 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.889 -1.913 -17.922 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.223 -2.709 -19.367 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.858 -3.121 -18.799 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.591 -5.009 -20.870 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.546 -4.216 -21.534 1.00 0.00 C ATOM 1015 C ASN A 916 -13.004 -3.655 -22.902 1.00 0.00 C ATOM 1016 O ASN A 916 -12.810 -2.472 -23.194 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.214 -5.000 -21.538 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.159 -6.238 -22.421 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.138 -6.693 -22.990 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -9.996 -6.828 -22.563 1.00 0.00 N ATOM 0 H ASN A 916 -13.616 -5.988 -21.154 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.354 -3.310 -20.958 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.420 -4.322 -21.851 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -10.992 -5.301 -20.514 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.915 -7.661 -23.146 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.173 -6.454 -22.091 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.715 -4.451 -23.699 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.265 -4.060 -25.003 1.00 0.00 C ATOM 1029 C GLU A 917 -15.369 -2.991 -24.919 1.00 0.00 C ATOM 1030 O GLU A 917 -15.498 -2.173 -25.828 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.802 -5.301 -25.724 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.717 -5.957 -26.595 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.226 -7.117 -27.485 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -13.397 -7.972 -27.887 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -15.425 -7.161 -27.857 1.00 0.00 O1- ATOM 0 H GLU A 917 -13.933 -5.416 -23.451 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.445 -3.609 -25.562 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.166 -6.020 -24.991 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.652 -5.022 -26.347 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.271 -5.195 -27.233 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -12.926 -6.333 -25.946 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.141 -2.963 -23.829 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.230 -1.992 -23.621 1.00 0.00 C ATOM 1044 C GLU A 918 -16.739 -0.534 -23.625 1.00 0.00 C ATOM 1045 O GLU A 918 -17.452 0.359 -24.085 1.00 0.00 O ATOM 1046 CB GLU A 918 -17.945 -2.287 -22.288 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.299 -1.570 -22.124 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.325 -1.878 -23.231 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -21.111 -0.972 -23.591 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.360 -2.998 -23.789 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.030 -3.619 -23.056 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.919 -2.105 -24.458 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.104 -3.362 -22.204 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.291 -1.996 -21.466 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.728 -1.848 -21.161 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.125 -0.494 -22.097 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.515 -0.299 -23.130 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.861 1.015 -23.132 1.00 0.00 C ATOM 1059 C LEU A 919 -13.887 1.182 -24.314 1.00 0.00 C ATOM 1060 O LEU A 919 -13.638 2.305 -24.760 1.00 0.00 O ATOM 1061 CB LEU A 919 -14.131 1.263 -21.799 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.971 0.946 -20.544 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.577 -0.410 -19.983 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.776 2.010 -19.486 1.00 0.00 C ATOM 0 H LEU A 919 -14.943 -1.031 -22.710 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.648 1.760 -23.251 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.225 0.658 -21.777 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.819 2.307 -21.758 1.00 0.00 H new ATOM 0 HG LEU A 919 -16.022 0.928 -20.832 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.175 -0.625 -19.097 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.752 -1.180 -20.735 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.521 -0.399 -19.714 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.377 1.767 -18.610 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.724 2.054 -19.203 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -15.086 2.977 -19.881 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.340 0.069 -24.816 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.371 0.025 -25.921 1.00 0.00 C ATOM 1078 C GLY A 920 -10.915 -0.070 -25.450 1.00 0.00 C ATOM 1079 O GLY A 920 -10.009 0.426 -26.123 1.00 0.00 O ATOM 0 H GLY A 920 -13.566 -0.857 -24.453 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.596 -0.831 -26.558 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.489 0.918 -26.534 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.699 -0.671 -24.276 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.402 -0.845 -23.605 1.00 0.00 C ATOM 1085 C ILE A 921 -8.944 -2.315 -23.638 1.00 0.00 C ATOM 1086 O ILE A 921 -9.703 -3.214 -24.006 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.469 -0.281 -22.164 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.503 -1.031 -21.295 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.728 1.234 -22.198 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.462 -0.659 -19.809 1.00 0.00 C ATOM 0 H ILE A 921 -11.466 -1.072 -23.736 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.647 -0.277 -24.149 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.502 -0.446 -21.689 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.502 -0.828 -21.682 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.335 -2.103 -21.394 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.773 1.618 -21.179 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.921 1.729 -22.737 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.674 1.430 -22.702 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.218 -1.229 -19.270 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.477 -0.889 -19.403 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.662 0.406 -19.695 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.545 3.209 -16.419 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.868 3.857 -16.299 1.00 0.00 C ATOM 1264 C GLN B 5 -16.651 3.912 -17.625 1.00 0.00 C ATOM 1265 O GLN B 5 -16.340 4.686 -18.530 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.720 5.228 -15.613 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.931 6.317 -16.374 1.00 0.00 C ATOM 1268 CD GLN B 5 -15.780 7.295 -17.198 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -16.986 7.442 -17.041 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -15.167 8.044 -18.092 1.00 0.00 N ATOM 0 HA GLN B 5 -16.490 3.230 -15.660 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.719 5.614 -15.411 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.237 5.073 -14.648 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -14.347 6.889 -15.653 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.222 5.827 -17.041 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -14.163 7.941 -18.242 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -15.696 8.727 -18.634 1.00 0.00 H new ATOM 1279 N THR B 6 -17.659 3.041 -17.756 1.00 0.00 N ATOM 1280 CA THR B 6 -18.461 2.855 -18.978 1.00 0.00 C ATOM 1281 C THR B 6 -19.402 4.031 -19.257 1.00 0.00 C ATOM 1282 O THR B 6 -20.143 4.474 -18.378 1.00 0.00 O ATOM 1283 CB THR B 6 -19.270 1.546 -18.913 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.798 1.321 -17.623 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.400 0.338 -19.236 1.00 0.00 C ATOM 0 H THR B 6 -17.950 2.427 -16.995 1.00 0.00 H new ATOM 0 HA THR B 6 -17.749 2.802 -19.802 1.00 0.00 H new ATOM 0 HB THR B 6 -20.071 1.660 -19.644 1.00 0.00 H new ATOM 0 HG1 THR B 6 -20.544 0.689 -17.681 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.002 -0.569 -19.181 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.992 0.442 -20.241 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.583 0.275 -18.517 1.00 0.00 H new