USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 609 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 826 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 853 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.8!) USER MOD Set 2.1: A 821 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 861 MET CE :methyl -168:sc=-0.00186 (180deg=-0.077) USER MOD Single : A 801 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3.9!) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.376 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= -1.52 X(o=-1.5,f=-1.9) USER MOD Single : A 828 LYS NZ :NH3+ -108:sc= -1.09 (180deg=-3.44!) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.3) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 TYR OH : rot -81:sc= 0.0606 USER MOD Single : A 848 TYR OH : rot -167:sc= 0.176 USER MOD Single : A 850 ASN : amide:sc= -0.329 K(o=-0.33,f=-5.6!) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.0158 K(o=-0.016,f=-1.3) USER MOD Single : A 859 MET CE :methyl -173:sc= 0 (180deg=-0.0592) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -132:sc= -1.47 (180deg=-5.09!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0107) USER MOD Single : A 869 ASN : amide:sc= -0.0312 K(o=-0.031,f=-1.1) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.229 -0.036 -9.231 1.00 0.00 N ATOM 240 CA HIS A 801 -0.911 0.756 -8.780 1.00 0.00 C ATOM 241 C HIS A 801 -1.121 0.597 -7.277 1.00 0.00 C ATOM 242 O HIS A 801 -1.310 1.579 -6.559 1.00 0.00 O ATOM 243 CB HIS A 801 -2.176 0.341 -9.530 1.00 0.00 C ATOM 244 CG HIS A 801 -2.530 -1.104 -9.354 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.752 -2.134 -9.837 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.587 -1.688 -8.741 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.315 -3.290 -9.531 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.429 -3.047 -8.865 1.00 0.00 N ATOM 0 HA HIS A 801 -0.700 1.804 -8.991 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.009 0.955 -9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.043 0.547 -10.592 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.402 -1.180 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.930 -4.267 -9.783 1.00 0.00 H new ATOM 0 HE2 HIS A 801 -4.068 -3.754 -8.502 1.00 0.00 H new ATOM 256 N LYS A 802 -1.087 -0.645 -6.807 1.00 0.00 N ATOM 257 CA LYS A 802 -1.273 -0.934 -5.390 1.00 0.00 C ATOM 258 C LYS A 802 -0.253 -0.179 -4.543 1.00 0.00 C ATOM 259 O LYS A 802 0.593 0.545 -5.070 1.00 0.00 O ATOM 260 CB LYS A 802 -1.151 -2.437 -5.135 1.00 0.00 C ATOM 261 CG LYS A 802 -2.307 -3.245 -5.699 1.00 0.00 C ATOM 262 CD LYS A 802 -2.156 -4.726 -5.391 1.00 0.00 C ATOM 263 CE LYS A 802 -3.489 -5.452 -5.479 1.00 0.00 C ATOM 264 NZ LYS A 802 -4.263 -5.348 -4.211 1.00 0.00 N ATOM 0 H LYS A 802 -0.932 -1.469 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.272 -0.604 -5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 802 -0.220 -2.797 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -1.087 -2.611 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -3.245 -2.880 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.361 -3.101 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.450 -5.174 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.738 -4.850 -4.392 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.076 -5.035 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.316 -6.502 -5.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -5.165 -5.856 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -3.714 -5.768 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -4.451 -4.347 -4.000 1.00 0.00 H new ATOM 278 N LEU A 803 -0.336 -0.355 -3.229 1.00 0.00 N ATOM 279 CA LEU A 803 0.581 0.308 -2.309 1.00 0.00 C ATOM 280 C LEU A 803 0.865 -0.572 -1.095 1.00 0.00 C ATOM 281 O LEU A 803 0.046 -1.410 -0.718 1.00 0.00 O ATOM 282 CB LEU A 803 0.001 1.649 -1.857 1.00 0.00 C ATOM 283 CG LEU A 803 -0.445 2.597 -2.971 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.414 3.637 -2.431 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.760 3.270 -3.612 1.00 0.00 C ATOM 0 H LEU A 803 -1.029 -0.951 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 803 1.520 0.484 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.854 1.453 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.749 2.160 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 803 -0.959 2.013 -3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.720 4.303 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.291 3.138 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.926 4.217 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.424 3.941 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.302 3.840 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.418 2.511 -4.035 1.00 0.00 H new ATOM 297 N PHE A 804 2.029 -0.373 -0.485 1.00 0.00 N ATOM 298 CA PHE A 804 2.420 -1.147 0.687 1.00 0.00 C ATOM 299 C PHE A 804 2.836 -0.227 1.831 1.00 0.00 C ATOM 300 O PHE A 804 3.591 0.725 1.633 1.00 0.00 O ATOM 301 CB PHE A 804 3.567 -2.097 0.338 1.00 0.00 C ATOM 302 CG PHE A 804 4.320 -2.594 1.539 1.00 0.00 C ATOM 303 CD1 PHE A 804 5.291 -1.807 2.138 1.00 0.00 C ATOM 304 CD2 PHE A 804 4.058 -3.847 2.068 1.00 0.00 C ATOM 305 CE1 PHE A 804 5.986 -2.262 3.243 1.00 0.00 C ATOM 306 CE2 PHE A 804 4.750 -4.307 3.173 1.00 0.00 C ATOM 307 CZ PHE A 804 5.714 -3.513 3.761 1.00 0.00 C ATOM 0 H PHE A 804 2.718 0.318 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 804 1.559 -1.732 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.167 -2.951 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.261 -1.586 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 804 5.507 -0.828 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 804 3.304 -4.472 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 804 6.741 -1.640 3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 804 4.537 -5.286 3.576 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.255 -3.870 4.625 1.00 0.00 H new ATOM 317 N ILE A 805 2.338 -0.519 3.028 1.00 0.00 N ATOM 318 CA ILE A 805 2.659 0.280 4.204 1.00 0.00 C ATOM 319 C ILE A 805 3.042 -0.606 5.384 1.00 0.00 C ATOM 320 O ILE A 805 2.522 -1.712 5.538 1.00 0.00 O ATOM 321 CB ILE A 805 1.476 1.178 4.614 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.884 1.870 3.385 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.923 2.206 5.643 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.201 2.871 3.719 1.00 0.00 C ATOM 0 H ILE A 805 1.711 -1.303 3.209 1.00 0.00 H new ATOM 0 HA ILE A 805 3.507 0.909 3.935 1.00 0.00 H new ATOM 0 HB ILE A 805 0.704 0.554 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.682 2.379 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.476 1.114 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 805 1.076 2.833 5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 805 2.303 1.694 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.710 2.828 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -0.575 3.323 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.018 2.364 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 805 0.207 3.648 4.365 1.00 0.00 H new ATOM 336 N SER A 806 3.953 -0.113 6.216 1.00 0.00 N ATOM 337 CA SER A 806 4.408 -0.862 7.383 1.00 0.00 C ATOM 338 C SER A 806 4.547 0.054 8.595 1.00 0.00 C ATOM 339 O SER A 806 4.729 1.262 8.457 1.00 0.00 O ATOM 340 CB SER A 806 5.746 -1.543 7.088 1.00 0.00 C ATOM 341 OG SER A 806 6.793 -0.593 6.999 1.00 0.00 O ATOM 0 H SER A 806 4.391 0.801 6.105 1.00 0.00 H new ATOM 0 HA SER A 806 3.662 -1.624 7.609 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.971 -2.265 7.873 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.676 -2.100 6.154 1.00 0.00 H new ATOM 0 HG SER A 806 7.638 -1.054 6.812 1.00 0.00 H new ATOM 347 N GLY A 807 4.460 -0.533 9.785 1.00 0.00 N ATOM 348 CA GLY A 807 4.577 0.243 11.006 1.00 0.00 C ATOM 349 C GLY A 807 3.299 0.981 11.349 1.00 0.00 C ATOM 350 O GLY A 807 3.301 2.202 11.509 1.00 0.00 O ATOM 0 H GLY A 807 4.311 -1.532 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.842 -0.420 11.830 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.390 0.961 10.900 1.00 0.00 H new ATOM 354 N LEU A 808 2.202 0.240 11.461 1.00 0.00 N ATOM 355 CA LEU A 808 0.909 0.832 11.786 1.00 0.00 C ATOM 356 C LEU A 808 0.458 0.422 13.185 1.00 0.00 C ATOM 357 O LEU A 808 0.677 -0.705 13.629 1.00 0.00 O ATOM 358 CB LEU A 808 -0.141 0.410 10.756 1.00 0.00 C ATOM 359 CG LEU A 808 -0.050 1.088 9.389 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.848 0.310 8.353 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.541 2.526 9.473 1.00 0.00 C ATOM 0 H LEU A 808 2.182 -0.772 11.332 1.00 0.00 H new ATOM 0 HA LEU A 808 1.018 1.916 11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.066 -0.668 10.611 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.129 0.607 11.172 1.00 0.00 H new ATOM 0 HG LEU A 808 0.995 1.099 9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.772 0.807 7.386 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.451 -0.702 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.894 0.266 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.469 2.993 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.579 2.537 9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.073 3.079 10.184 1.00 0.00 H new ATOM 373 N PRO A 809 -0.188 1.358 13.896 1.00 0.00 N ATOM 374 CA PRO A 809 -0.685 1.117 15.254 1.00 0.00 C ATOM 375 C PRO A 809 -1.861 0.147 15.277 1.00 0.00 C ATOM 376 O PRO A 809 -2.911 0.415 14.692 1.00 0.00 O ATOM 377 CB PRO A 809 -1.128 2.506 15.721 1.00 0.00 C ATOM 378 CG PRO A 809 -1.438 3.246 14.467 1.00 0.00 C ATOM 379 CD PRO A 809 -0.483 2.723 13.430 1.00 0.00 C ATOM 0 HA PRO A 809 0.073 0.660 15.890 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -2.001 2.445 16.371 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.341 3.002 16.289 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.472 3.083 14.163 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.313 4.320 14.607 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.931 2.720 12.436 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.419 3.332 13.371 1.00 0.00 H new ATOM 387 N PHE A 810 -1.679 -0.981 15.956 1.00 0.00 N ATOM 388 CA PHE A 810 -2.726 -1.991 16.055 1.00 0.00 C ATOM 389 C PHE A 810 -4.102 -1.340 16.165 1.00 0.00 C ATOM 390 O PHE A 810 -5.090 -1.860 15.646 1.00 0.00 O ATOM 391 CB PHE A 810 -2.479 -2.896 17.264 1.00 0.00 C ATOM 392 CG PHE A 810 -1.053 -3.352 17.390 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.480 -4.155 16.417 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.287 -2.977 18.482 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.831 -4.576 16.530 1.00 0.00 C ATOM 396 CE2 PHE A 810 1.026 -3.395 18.599 1.00 0.00 C ATOM 397 CZ PHE A 810 1.585 -4.196 17.623 1.00 0.00 C ATOM 0 H PHE A 810 -0.816 -1.218 16.446 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.701 -2.594 15.147 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.763 -2.363 18.171 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.127 -3.770 17.192 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.065 -4.455 15.560 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.720 -2.352 19.249 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.266 -5.202 15.764 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.614 -3.095 19.454 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.610 -4.525 17.714 1.00 0.00 H new ATOM 407 N SER A 811 -4.157 -0.200 16.846 1.00 0.00 N ATOM 408 CA SER A 811 -5.412 0.521 17.029 1.00 0.00 C ATOM 409 C SER A 811 -6.045 0.861 15.683 1.00 0.00 C ATOM 410 O SER A 811 -7.223 0.586 15.452 1.00 0.00 O ATOM 411 CB SER A 811 -5.176 1.801 17.833 1.00 0.00 C ATOM 412 OG SER A 811 -4.893 1.507 19.190 1.00 0.00 O ATOM 0 H SER A 811 -3.348 0.244 17.280 1.00 0.00 H new ATOM 0 HA SER A 811 -6.097 -0.124 17.579 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.347 2.359 17.398 1.00 0.00 H new ATOM 0 HB3 SER A 811 -6.057 2.440 17.772 1.00 0.00 H new ATOM 0 HG SER A 811 -4.744 2.342 19.681 1.00 0.00 H new ATOM 418 N CYS A 812 -5.254 1.459 14.799 1.00 0.00 N ATOM 419 CA CYS A 812 -5.736 1.838 13.476 1.00 0.00 C ATOM 420 C CYS A 812 -6.625 0.747 12.888 1.00 0.00 C ATOM 421 O CYS A 812 -6.459 -0.435 13.191 1.00 0.00 O ATOM 422 CB CYS A 812 -4.557 2.112 12.540 1.00 0.00 C ATOM 423 SG CYS A 812 -5.036 2.455 10.831 1.00 0.00 S ATOM 0 H CYS A 812 -4.277 1.692 14.975 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.328 2.747 13.579 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.991 2.960 12.925 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -3.889 1.251 12.553 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.972 2.676 10.118 1.00 0.00 H new ATOM 429 N THR A 813 -7.571 1.152 12.046 1.00 0.00 N ATOM 430 CA THR A 813 -8.489 0.210 11.418 1.00 0.00 C ATOM 431 C THR A 813 -8.705 0.550 9.948 1.00 0.00 C ATOM 432 O THR A 813 -8.473 1.681 9.521 1.00 0.00 O ATOM 433 CB THR A 813 -9.852 0.191 12.134 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.691 -0.820 11.565 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.538 1.545 12.028 1.00 0.00 C ATOM 0 H THR A 813 -7.721 2.126 11.783 1.00 0.00 H new ATOM 0 HA THR A 813 -8.032 -0.776 11.497 1.00 0.00 H new ATOM 0 HB THR A 813 -9.681 -0.031 13.187 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.555 -0.826 12.027 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.499 1.507 12.541 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.910 2.308 12.489 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.697 1.791 10.978 1.00 0.00 H new ATOM 443 N LYS A 814 -9.151 -0.436 9.177 1.00 0.00 N ATOM 444 CA LYS A 814 -9.401 -0.241 7.753 1.00 0.00 C ATOM 445 C LYS A 814 -10.132 1.074 7.504 1.00 0.00 C ATOM 446 O LYS A 814 -9.603 1.975 6.854 1.00 0.00 O ATOM 447 CB LYS A 814 -10.221 -1.406 7.194 1.00 0.00 C ATOM 448 CG LYS A 814 -10.466 -1.315 5.698 1.00 0.00 C ATOM 449 CD LYS A 814 -11.388 -2.422 5.216 1.00 0.00 C ATOM 450 CE LYS A 814 -10.639 -3.734 5.042 1.00 0.00 C ATOM 451 NZ LYS A 814 -11.464 -4.754 4.337 1.00 0.00 N ATOM 0 H LYS A 814 -9.347 -1.379 9.514 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.439 -0.204 7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.705 -2.341 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.181 -1.444 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -10.903 -0.346 5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -9.515 -1.376 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.200 -2.557 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.842 -2.132 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -9.722 -3.557 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.345 -4.117 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -10.918 -5.634 4.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -12.327 -4.942 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.723 -4.400 3.394 1.00 0.00 H new ATOM 465 N GLU A 815 -11.350 1.177 8.026 1.00 0.00 N ATOM 466 CA GLU A 815 -12.153 2.384 7.860 1.00 0.00 C ATOM 467 C GLU A 815 -11.271 3.629 7.875 1.00 0.00 C ATOM 468 O GLU A 815 -11.150 4.328 6.870 1.00 0.00 O ATOM 469 CB GLU A 815 -13.207 2.478 8.965 1.00 0.00 C ATOM 470 CG GLU A 815 -14.177 1.308 8.981 1.00 0.00 C ATOM 471 CD GLU A 815 -14.803 1.089 10.345 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.869 1.682 10.612 1.00 0.00 O ATOM 473 OE2 GLU A 815 -14.225 0.324 11.146 1.00 0.00 O ATOM 0 H GLU A 815 -11.803 0.440 8.567 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.655 2.327 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.705 2.536 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.769 3.404 8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.964 1.483 8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.653 0.402 8.676 1.00 0.00 H new ATOM 480 N GLU A 816 -10.660 3.900 9.024 1.00 0.00 N ATOM 481 CA GLU A 816 -9.791 5.062 9.170 1.00 0.00 C ATOM 482 C GLU A 816 -8.924 5.253 7.930 1.00 0.00 C ATOM 483 O GLU A 816 -9.146 6.170 7.137 1.00 0.00 O ATOM 484 CB GLU A 816 -8.904 4.911 10.408 1.00 0.00 C ATOM 485 CG GLU A 816 -9.623 5.209 11.713 1.00 0.00 C ATOM 486 CD GLU A 816 -10.400 6.510 11.667 1.00 0.00 C ATOM 487 OE1 GLU A 816 -9.792 7.574 11.909 1.00 0.00 O ATOM 488 OE2 GLU A 816 -11.616 6.465 11.388 1.00 0.00 O ATOM 0 H GLU A 816 -10.750 3.332 9.866 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.422 5.943 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.513 3.894 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -8.048 5.579 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.305 4.391 11.943 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.895 5.254 12.523 1.00 0.00 H new ATOM 495 N LEU A 817 -7.934 4.382 7.767 1.00 0.00 N ATOM 496 CA LEU A 817 -7.032 4.454 6.623 1.00 0.00 C ATOM 497 C LEU A 817 -7.811 4.651 5.327 1.00 0.00 C ATOM 498 O LEU A 817 -7.670 5.674 4.657 1.00 0.00 O ATOM 499 CB LEU A 817 -6.186 3.182 6.535 1.00 0.00 C ATOM 500 CG LEU A 817 -4.836 3.321 5.832 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.931 4.273 6.597 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.172 1.960 5.677 1.00 0.00 C ATOM 0 H LEU A 817 -7.736 3.618 8.413 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.374 5.312 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.010 2.816 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.766 2.419 6.016 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.007 3.735 4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.975 4.359 6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.402 5.254 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.767 3.889 7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.212 2.079 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.014 1.518 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -4.813 1.308 5.085 1.00 0.00 H new ATOM 514 N GLU A 818 -8.633 3.666 4.981 1.00 0.00 N ATOM 515 CA GLU A 818 -9.436 3.733 3.765 1.00 0.00 C ATOM 516 C GLU A 818 -9.901 5.162 3.498 1.00 0.00 C ATOM 517 O GLU A 818 -9.666 5.711 2.422 1.00 0.00 O ATOM 518 CB GLU A 818 -10.646 2.803 3.874 1.00 0.00 C ATOM 519 CG GLU A 818 -11.396 2.624 2.564 1.00 0.00 C ATOM 520 CD GLU A 818 -12.294 1.402 2.568 1.00 0.00 C ATOM 521 OE1 GLU A 818 -11.858 0.349 3.079 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.430 1.499 2.062 1.00 0.00 O ATOM 0 H GLU A 818 -8.761 2.812 5.525 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.813 3.410 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.313 1.828 4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.331 3.198 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.998 3.512 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -10.679 2.540 1.748 1.00 0.00 H new ATOM 529 N GLU A 819 -10.561 5.757 4.486 1.00 0.00 N ATOM 530 CA GLU A 819 -11.060 7.121 4.358 1.00 0.00 C ATOM 531 C GLU A 819 -9.935 8.079 3.976 1.00 0.00 C ATOM 532 O GLU A 819 -10.034 8.807 2.988 1.00 0.00 O ATOM 533 CB GLU A 819 -11.710 7.576 5.666 1.00 0.00 C ATOM 534 CG GLU A 819 -13.139 7.089 5.838 1.00 0.00 C ATOM 535 CD GLU A 819 -13.915 7.904 6.854 1.00 0.00 C ATOM 536 OE1 GLU A 819 -13.689 7.711 8.067 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.748 8.736 6.436 1.00 0.00 O ATOM 0 H GLU A 819 -10.763 5.316 5.384 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.809 7.133 3.566 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.110 7.219 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.699 8.665 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.651 7.131 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -13.128 6.044 6.148 1.00 0.00 H new ATOM 544 N ILE A 820 -8.867 8.072 4.766 1.00 0.00 N ATOM 545 CA ILE A 820 -7.723 8.938 4.511 1.00 0.00 C ATOM 546 C ILE A 820 -7.185 8.738 3.099 1.00 0.00 C ATOM 547 O ILE A 820 -6.709 9.681 2.465 1.00 0.00 O ATOM 548 CB ILE A 820 -6.588 8.684 5.521 1.00 0.00 C ATOM 549 CG1 ILE A 820 -7.106 8.838 6.953 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.429 9.637 5.266 1.00 0.00 C ATOM 551 CD1 ILE A 820 -6.233 8.162 7.987 1.00 0.00 C ATOM 0 H ILE A 820 -8.770 7.476 5.588 1.00 0.00 H new ATOM 0 HA ILE A 820 -8.074 9.964 4.621 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.229 7.663 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -7.182 9.899 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -8.113 8.425 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.635 9.445 5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -5.047 9.484 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.774 10.666 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.660 8.312 8.978 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -6.177 7.095 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -5.232 8.592 7.955 1.00 0.00 H new ATOM 563 N CYS A 821 -7.266 7.505 2.610 1.00 0.00 N ATOM 564 CA CYS A 821 -6.788 7.180 1.271 1.00 0.00 C ATOM 565 C CYS A 821 -7.638 7.871 0.209 1.00 0.00 C ATOM 566 O CYS A 821 -7.113 8.439 -0.749 1.00 0.00 O ATOM 567 CB CYS A 821 -6.808 5.667 1.053 1.00 0.00 C ATOM 568 SG CYS A 821 -5.607 4.761 2.057 1.00 0.00 S ATOM 0 H CYS A 821 -7.658 6.714 3.121 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.763 7.538 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.807 5.292 1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.616 5.460 0.000 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.702 3.489 1.804 1.00 0.00 H new ATOM 574 N LYS A 822 -8.954 7.816 0.384 1.00 0.00 N ATOM 575 CA LYS A 822 -9.878 8.435 -0.559 1.00 0.00 C ATOM 576 C LYS A 822 -9.510 9.895 -0.803 1.00 0.00 C ATOM 577 O LYS A 822 -9.653 10.404 -1.914 1.00 0.00 O ATOM 578 CB LYS A 822 -11.313 8.340 -0.036 1.00 0.00 C ATOM 579 CG LYS A 822 -11.647 6.994 0.581 1.00 0.00 C ATOM 580 CD LYS A 822 -13.142 6.720 0.547 1.00 0.00 C ATOM 581 CE LYS A 822 -13.889 7.577 1.557 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.361 7.542 1.334 1.00 0.00 N ATOM 0 H LYS A 822 -9.405 7.349 1.171 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.806 7.898 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.472 9.121 0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -12.004 8.536 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.119 6.206 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.295 6.968 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.526 6.917 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.325 5.666 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.666 7.227 2.565 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.536 8.606 1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.834 8.139 2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.576 7.899 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.702 6.564 1.422 1.00 0.00 H new ATOM 596 N ALA A 823 -9.033 10.563 0.242 1.00 0.00 N ATOM 597 CA ALA A 823 -8.641 11.963 0.140 1.00 0.00 C ATOM 598 C ALA A 823 -7.658 12.176 -1.006 1.00 0.00 C ATOM 599 O ALA A 823 -7.732 13.173 -1.724 1.00 0.00 O ATOM 600 CB ALA A 823 -8.036 12.439 1.453 1.00 0.00 C ATOM 0 H ALA A 823 -8.909 10.157 1.169 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.535 12.551 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.748 13.486 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.770 12.333 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.156 11.840 1.687 1.00 0.00 H new ATOM 606 N HIS A 824 -6.736 11.232 -1.171 1.00 0.00 N ATOM 607 CA HIS A 824 -5.737 11.317 -2.231 1.00 0.00 C ATOM 608 C HIS A 824 -6.354 10.986 -3.587 1.00 0.00 C ATOM 609 O HIS A 824 -6.294 11.786 -4.519 1.00 0.00 O ATOM 610 CB HIS A 824 -4.574 10.368 -1.941 1.00 0.00 C ATOM 611 CG HIS A 824 -3.898 10.632 -0.631 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.222 11.802 -0.355 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.797 9.870 0.483 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.733 11.747 0.871 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.068 10.585 1.401 1.00 0.00 N ATOM 0 H HIS A 824 -6.660 10.401 -0.585 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.362 12.340 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.942 9.342 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.840 10.451 -2.742 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.213 8.883 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.157 12.521 1.357 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.825 10.270 2.340 1.00 0.00 H new ATOM 623 N GLY A 825 -6.946 9.800 -3.688 1.00 0.00 N ATOM 624 CA GLY A 825 -7.564 9.383 -4.934 1.00 0.00 C ATOM 625 C GLY A 825 -8.724 8.433 -4.716 1.00 0.00 C ATOM 626 O GLY A 825 -9.343 8.429 -3.651 1.00 0.00 O ATOM 0 H GLY A 825 -7.009 9.121 -2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.915 10.262 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.816 8.900 -5.563 1.00 0.00 H new ATOM 630 N THR A 826 -9.023 7.624 -5.728 1.00 0.00 N ATOM 631 CA THR A 826 -10.118 6.667 -5.643 1.00 0.00 C ATOM 632 C THR A 826 -9.623 5.304 -5.173 1.00 0.00 C ATOM 633 O THR A 826 -8.797 4.671 -5.831 1.00 0.00 O ATOM 634 CB THR A 826 -10.826 6.501 -7.002 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.170 7.785 -7.534 1.00 0.00 O ATOM 636 CG2 THR A 826 -12.081 5.653 -6.859 1.00 0.00 C ATOM 0 H THR A 826 -8.521 7.613 -6.616 1.00 0.00 H new ATOM 0 HA THR A 826 -10.827 7.064 -4.917 1.00 0.00 H new ATOM 0 HB THR A 826 -10.142 5.996 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.618 7.672 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.563 5.550 -7.831 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.812 4.667 -6.481 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.768 6.134 -6.162 1.00 0.00 H new ATOM 644 N VAL A 827 -10.133 4.857 -4.029 1.00 0.00 N ATOM 645 CA VAL A 827 -9.743 3.568 -3.471 1.00 0.00 C ATOM 646 C VAL A 827 -10.568 2.436 -4.073 1.00 0.00 C ATOM 647 O VAL A 827 -11.772 2.335 -3.834 1.00 0.00 O ATOM 648 CB VAL A 827 -9.904 3.547 -1.939 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.690 2.142 -1.398 1.00 0.00 C ATOM 650 CG2 VAL A 827 -8.941 4.529 -1.290 1.00 0.00 C ATOM 0 H VAL A 827 -10.817 5.369 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.692 3.421 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.921 3.853 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.808 2.147 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.423 1.467 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.686 1.803 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.068 4.502 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.917 4.255 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.147 5.535 -1.654 1.00 0.00 H new ATOM 660 N LYS A 828 -9.913 1.585 -4.855 1.00 0.00 N ATOM 661 CA LYS A 828 -10.585 0.457 -5.491 1.00 0.00 C ATOM 662 C LYS A 828 -10.763 -0.695 -4.508 1.00 0.00 C ATOM 663 O LYS A 828 -11.770 -1.403 -4.543 1.00 0.00 O ATOM 664 CB LYS A 828 -9.789 -0.016 -6.709 1.00 0.00 C ATOM 665 CG LYS A 828 -9.821 0.959 -7.874 1.00 0.00 C ATOM 666 CD LYS A 828 -11.189 0.994 -8.534 1.00 0.00 C ATOM 667 CE LYS A 828 -11.436 -0.253 -9.370 1.00 0.00 C ATOM 668 NZ LYS A 828 -11.962 -1.377 -8.547 1.00 0.00 N ATOM 0 H LYS A 828 -8.917 1.655 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.571 0.790 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.753 -0.182 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.184 -0.977 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.560 1.957 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -9.068 0.674 -8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.961 1.080 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.267 1.879 -9.166 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -12.145 -0.023 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -10.506 -0.558 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.223 -2.100 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -12.243 -1.020 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -12.787 -1.797 -9.020 1.00 0.00 H new ATOM 682 N ASP A 829 -9.781 -0.876 -3.632 1.00 0.00 N ATOM 683 CA ASP A 829 -9.831 -1.941 -2.637 1.00 0.00 C ATOM 684 C ASP A 829 -8.735 -1.760 -1.592 1.00 0.00 C ATOM 685 O ASP A 829 -7.717 -1.115 -1.849 1.00 0.00 O ATOM 686 CB ASP A 829 -9.689 -3.306 -3.312 1.00 0.00 C ATOM 687 CG ASP A 829 -9.943 -4.455 -2.356 1.00 0.00 C ATOM 688 OD1 ASP A 829 -10.729 -4.271 -1.403 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.356 -5.538 -2.561 1.00 0.00 O ATOM 0 H ASP A 829 -8.941 -0.299 -3.591 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.798 -1.891 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -10.388 -3.370 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.686 -3.399 -3.729 1.00 0.00 H new ATOM 694 N LEU A 830 -8.949 -2.332 -0.412 1.00 0.00 N ATOM 695 CA LEU A 830 -7.980 -2.233 0.674 1.00 0.00 C ATOM 696 C LEU A 830 -7.933 -3.527 1.481 1.00 0.00 C ATOM 697 O LEU A 830 -8.971 -4.083 1.841 1.00 0.00 O ATOM 698 CB LEU A 830 -8.328 -1.059 1.590 1.00 0.00 C ATOM 699 CG LEU A 830 -7.159 -0.429 2.347 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.534 0.956 2.851 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.730 -1.321 3.503 1.00 0.00 C ATOM 0 H LEU A 830 -9.785 -2.869 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 830 -6.996 -2.064 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.805 -0.285 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.065 -1.398 2.318 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.318 -0.328 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.690 1.389 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -7.792 1.593 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.390 0.880 3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -5.897 -0.857 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.566 -1.454 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.420 -2.292 3.117 1.00 0.00 H new ATOM 713 N ARG A 831 -6.723 -3.998 1.765 1.00 0.00 N ATOM 714 CA ARG A 831 -6.541 -5.225 2.531 1.00 0.00 C ATOM 715 C ARG A 831 -5.532 -5.018 3.657 1.00 0.00 C ATOM 716 O ARG A 831 -4.616 -4.203 3.542 1.00 0.00 O ATOM 717 CB ARG A 831 -6.075 -6.358 1.616 1.00 0.00 C ATOM 718 CG ARG A 831 -4.601 -6.280 1.251 1.00 0.00 C ATOM 719 CD ARG A 831 -4.165 -7.485 0.433 1.00 0.00 C ATOM 720 NE ARG A 831 -4.719 -7.459 -0.918 1.00 0.00 N ATOM 721 CZ ARG A 831 -5.920 -7.934 -1.229 1.00 0.00 C ATOM 722 NH1 ARG A 831 -6.690 -8.467 -0.290 1.00 0.00 N ATOM 723 NH2 ARG A 831 -6.355 -7.874 -2.481 1.00 0.00 N ATOM 0 H ARG A 831 -5.854 -3.548 1.476 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.501 -5.495 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.269 -7.312 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -6.668 -6.342 0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.413 -5.368 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.003 -6.220 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.077 -7.511 0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -4.481 -8.399 0.937 1.00 0.00 H new ATOM 0 HE ARG A 831 -4.153 -7.054 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -6.361 -8.513 0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -7.612 -8.831 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -5.767 -7.463 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -7.277 -8.239 -2.718 1.00 0.00 H new ATOM 737 N LEU A 832 -5.707 -5.760 4.744 1.00 0.00 N ATOM 738 CA LEU A 832 -4.812 -5.659 5.892 1.00 0.00 C ATOM 739 C LEU A 832 -4.101 -6.984 6.147 1.00 0.00 C ATOM 740 O LEU A 832 -4.675 -8.056 5.954 1.00 0.00 O ATOM 741 CB LEU A 832 -5.595 -5.238 7.138 1.00 0.00 C ATOM 742 CG LEU A 832 -6.236 -3.851 7.092 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.171 -3.655 8.275 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.165 -2.769 7.071 1.00 0.00 C ATOM 0 H LEU A 832 -6.460 -6.439 4.855 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.060 -4.902 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.380 -5.973 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.923 -5.277 7.995 1.00 0.00 H new ATOM 0 HG LEU A 832 -6.822 -3.773 6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.618 -2.662 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.958 -4.409 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.609 -3.753 9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -5.639 -1.788 7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.552 -2.846 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.536 -2.897 6.190 1.00 0.00 H new ATOM 756 N VAL A 833 -2.849 -6.902 6.584 1.00 0.00 N ATOM 757 CA VAL A 833 -2.059 -8.095 6.869 1.00 0.00 C ATOM 758 C VAL A 833 -2.260 -8.555 8.309 1.00 0.00 C ATOM 759 O VAL A 833 -1.896 -7.854 9.254 1.00 0.00 O ATOM 760 CB VAL A 833 -0.559 -7.847 6.626 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.245 -9.103 6.924 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.322 -7.378 5.198 1.00 0.00 C ATOM 0 H VAL A 833 -2.359 -6.023 6.749 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.405 -8.874 6.189 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.224 -7.061 7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.303 -8.909 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.099 -9.390 7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.089 -9.912 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.743 -7.207 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.672 -8.140 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.867 -6.450 5.025 1.00 0.00 H new ATOM 772 N THR A 834 -2.841 -9.740 8.470 1.00 0.00 N ATOM 773 CA THR A 834 -3.091 -10.295 9.794 1.00 0.00 C ATOM 774 C THR A 834 -2.229 -11.526 10.046 1.00 0.00 C ATOM 775 O THR A 834 -1.407 -11.901 9.211 1.00 0.00 O ATOM 776 CB THR A 834 -4.573 -10.675 9.974 1.00 0.00 C ATOM 777 OG1 THR A 834 -4.955 -11.639 8.986 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.464 -9.446 9.862 1.00 0.00 C ATOM 0 H THR A 834 -3.147 -10.334 7.699 1.00 0.00 H new ATOM 0 HA THR A 834 -2.832 -9.520 10.515 1.00 0.00 H new ATOM 0 HB THR A 834 -4.697 -11.105 10.968 1.00 0.00 H new ATOM 0 HG1 THR A 834 -5.898 -11.877 9.108 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.506 -9.739 9.992 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.190 -8.726 10.634 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.335 -8.991 8.880 1.00 0.00 H new ATOM 786 N ASN A 835 -2.422 -12.152 11.203 1.00 0.00 N ATOM 787 CA ASN A 835 -1.661 -13.343 11.564 1.00 0.00 C ATOM 788 C ASN A 835 -2.592 -14.520 11.839 1.00 0.00 C ATOM 789 O ASN A 835 -3.814 -14.370 11.849 1.00 0.00 O ATOM 790 CB ASN A 835 -0.795 -13.066 12.794 1.00 0.00 C ATOM 791 CG ASN A 835 0.294 -14.105 12.981 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.908 -14.557 12.014 1.00 0.00 O ATOM 793 ND2 ASN A 835 0.538 -14.489 14.228 1.00 0.00 N ATOM 0 H ASN A 835 -3.098 -11.854 11.906 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.016 -13.601 10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -0.340 -12.080 12.700 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -1.427 -13.042 13.682 1.00 0.00 H new ATOM 0 HD21 ASN A 835 1.259 -15.186 14.415 1.00 0.00 H new ATOM 0 HD22 ASN A 835 0.004 -14.087 14.999 1.00 0.00 H new ATOM 800 N ARG A 836 -2.005 -15.692 12.062 1.00 0.00 N ATOM 801 CA ARG A 836 -2.781 -16.895 12.336 1.00 0.00 C ATOM 802 C ARG A 836 -3.906 -16.603 13.325 1.00 0.00 C ATOM 803 O ARG A 836 -5.024 -17.093 13.170 1.00 0.00 O ATOM 804 CB ARG A 836 -1.874 -17.997 12.889 1.00 0.00 C ATOM 805 CG ARG A 836 -0.870 -18.524 11.877 1.00 0.00 C ATOM 806 CD ARG A 836 -0.296 -19.865 12.309 1.00 0.00 C ATOM 807 NE ARG A 836 1.039 -20.090 11.762 1.00 0.00 N ATOM 808 CZ ARG A 836 1.931 -20.906 12.313 1.00 0.00 C ATOM 809 NH1 ARG A 836 1.631 -21.571 13.420 1.00 0.00 N ATOM 810 NH2 ARG A 836 3.126 -21.058 11.756 1.00 0.00 N ATOM 0 H ARG A 836 -0.995 -15.833 12.058 1.00 0.00 H new ATOM 0 HA ARG A 836 -3.223 -17.233 11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -1.336 -17.612 13.755 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -2.493 -18.824 13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -1.352 -18.629 10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -0.062 -17.803 11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -0.254 -19.908 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -0.961 -20.666 11.984 1.00 0.00 H new ATOM 0 HE ARG A 836 1.301 -19.594 10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 836 0.713 -21.457 13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 836 2.318 -22.197 13.841 1.00 0.00 H new ATOM 0 HH21 ARG A 836 3.360 -20.548 10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 836 3.810 -21.685 12.180 1.00 0.00 H new ATOM 824 N ALA A 837 -3.600 -15.803 14.341 1.00 0.00 N ATOM 825 CA ALA A 837 -4.586 -15.445 15.354 1.00 0.00 C ATOM 826 C ALA A 837 -5.342 -14.180 14.961 1.00 0.00 C ATOM 827 O ALA A 837 -5.758 -13.402 15.819 1.00 0.00 O ATOM 828 CB ALA A 837 -3.911 -15.261 16.705 1.00 0.00 C ATOM 0 H ALA A 837 -2.678 -15.391 14.485 1.00 0.00 H new ATOM 0 HA ALA A 837 -5.307 -16.259 15.428 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -4.659 -14.994 17.452 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -3.422 -16.190 16.997 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -3.168 -14.467 16.635 1.00 0.00 H new ATOM 834 N GLY A 838 -5.515 -13.980 13.658 1.00 0.00 N ATOM 835 CA GLY A 838 -6.220 -12.807 13.175 1.00 0.00 C ATOM 836 C GLY A 838 -5.662 -11.519 13.747 1.00 0.00 C ATOM 837 O GLY A 838 -6.357 -10.504 13.803 1.00 0.00 O ATOM 0 H GLY A 838 -5.180 -14.609 12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.161 -12.774 12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.276 -12.889 13.434 1.00 0.00 H new ATOM 841 N LYS A 839 -4.405 -11.559 14.174 1.00 0.00 N ATOM 842 CA LYS A 839 -3.753 -10.386 14.745 1.00 0.00 C ATOM 843 C LYS A 839 -3.149 -9.512 13.651 1.00 0.00 C ATOM 844 O LYS A 839 -2.598 -10.002 12.665 1.00 0.00 O ATOM 845 CB LYS A 839 -2.663 -10.813 15.731 1.00 0.00 C ATOM 846 CG LYS A 839 -3.157 -11.759 16.812 1.00 0.00 C ATOM 847 CD LYS A 839 -4.106 -11.062 17.772 1.00 0.00 C ATOM 848 CE LYS A 839 -5.550 -11.170 17.304 1.00 0.00 C ATOM 849 NZ LYS A 839 -6.365 -10.006 17.748 1.00 0.00 N ATOM 0 H LYS A 839 -3.817 -12.391 14.136 1.00 0.00 H new ATOM 0 HA LYS A 839 -4.507 -9.804 15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -1.855 -11.294 15.180 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -2.243 -9.924 16.202 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -3.663 -12.607 16.351 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -2.306 -12.157 17.365 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.010 -11.502 18.764 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -3.829 -10.012 17.861 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -5.575 -11.237 16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -5.989 -12.090 17.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -7.342 -10.117 17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -6.362 -9.956 18.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -5.961 -9.130 17.358 1.00 0.00 H new ATOM 863 N PRO A 840 -3.252 -8.187 13.827 1.00 0.00 N ATOM 864 CA PRO A 840 -2.720 -7.217 12.865 1.00 0.00 C ATOM 865 C PRO A 840 -1.196 -7.194 12.847 1.00 0.00 C ATOM 866 O PRO A 840 -0.559 -6.812 13.829 1.00 0.00 O ATOM 867 CB PRO A 840 -3.269 -5.880 13.369 1.00 0.00 C ATOM 868 CG PRO A 840 -3.500 -6.090 14.826 1.00 0.00 C ATOM 869 CD PRO A 840 -3.896 -7.532 14.978 1.00 0.00 C ATOM 0 HA PRO A 840 -3.012 -7.455 11.842 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.561 -5.070 13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.193 -5.613 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.600 -5.870 15.400 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.284 -5.429 15.196 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.547 -7.947 15.923 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -4.979 -7.656 14.956 1.00 0.00 H new ATOM 877 N LYS A 841 -0.616 -7.606 11.725 1.00 0.00 N ATOM 878 CA LYS A 841 0.835 -7.631 11.578 1.00 0.00 C ATOM 879 C LYS A 841 1.396 -6.217 11.468 1.00 0.00 C ATOM 880 O LYS A 841 2.588 -5.994 11.674 1.00 0.00 O ATOM 881 CB LYS A 841 1.228 -8.445 10.342 1.00 0.00 C ATOM 882 CG LYS A 841 0.912 -9.926 10.463 1.00 0.00 C ATOM 883 CD LYS A 841 2.065 -10.693 11.087 1.00 0.00 C ATOM 884 CE LYS A 841 3.090 -11.106 10.041 1.00 0.00 C ATOM 885 NZ LYS A 841 2.720 -12.388 9.379 1.00 0.00 N ATOM 0 H LYS A 841 -1.128 -7.927 10.904 1.00 0.00 H new ATOM 0 HA LYS A 841 1.257 -8.102 12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.710 -8.042 9.472 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.296 -8.324 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 841 0.015 -10.059 11.068 1.00 0.00 H new ATOM 0 HG3 LYS A 841 0.694 -10.334 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.546 -10.076 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 841 1.682 -11.579 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 841 3.179 -10.321 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 841 4.068 -11.209 10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.443 -12.635 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.660 -13.142 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.799 -12.282 8.909 1.00 0.00 H new ATOM 899 N GLY A 842 0.527 -5.264 11.143 1.00 0.00 N ATOM 900 CA GLY A 842 0.955 -3.884 11.013 1.00 0.00 C ATOM 901 C GLY A 842 0.972 -3.415 9.571 1.00 0.00 C ATOM 902 O GLY A 842 0.741 -2.238 9.291 1.00 0.00 O ATOM 0 H GLY A 842 -0.465 -5.424 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.289 -3.244 11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.952 -3.775 11.439 1.00 0.00 H new ATOM 906 N LEU A 843 1.247 -4.336 8.655 1.00 0.00 N ATOM 907 CA LEU A 843 1.294 -4.011 7.233 1.00 0.00 C ATOM 908 C LEU A 843 -0.104 -3.729 6.692 1.00 0.00 C ATOM 909 O LEU A 843 -1.099 -4.201 7.240 1.00 0.00 O ATOM 910 CB LEU A 843 1.935 -5.157 6.449 1.00 0.00 C ATOM 911 CG LEU A 843 3.317 -5.606 6.925 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.669 -6.964 6.339 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.371 -4.573 6.553 1.00 0.00 C ATOM 0 H LEU A 843 1.441 -5.314 8.871 1.00 0.00 H new ATOM 0 HA LEU A 843 1.899 -3.112 7.111 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.264 -6.015 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.013 -4.857 5.404 1.00 0.00 H new ATOM 0 HG LEU A 843 3.294 -5.697 8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.656 -7.267 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 843 2.930 -7.700 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.674 -6.901 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.348 -4.909 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.393 -4.449 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.128 -3.620 7.022 1.00 0.00 H new ATOM 925 N ALA A 844 -0.170 -2.958 5.612 1.00 0.00 N ATOM 926 CA ALA A 844 -1.445 -2.616 4.994 1.00 0.00 C ATOM 927 C ALA A 844 -1.286 -2.397 3.493 1.00 0.00 C ATOM 928 O ALA A 844 -0.428 -1.630 3.055 1.00 0.00 O ATOM 929 CB ALA A 844 -2.035 -1.377 5.651 1.00 0.00 C ATOM 0 H ALA A 844 0.645 -2.558 5.147 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.128 -3.452 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -2.987 -1.133 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.194 -1.569 6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.347 -0.540 5.533 1.00 0.00 H new ATOM 935 N TYR A 845 -2.118 -3.075 2.710 1.00 0.00 N ATOM 936 CA TYR A 845 -2.067 -2.956 1.257 1.00 0.00 C ATOM 937 C TYR A 845 -3.270 -2.178 0.732 1.00 0.00 C ATOM 938 O TYR A 845 -4.408 -2.426 1.133 1.00 0.00 O ATOM 939 CB TYR A 845 -2.021 -4.342 0.612 1.00 0.00 C ATOM 940 CG TYR A 845 -0.618 -4.867 0.404 1.00 0.00 C ATOM 941 CD1 TYR A 845 0.028 -5.592 1.397 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.060 -4.638 -0.787 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.310 -6.072 1.211 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.341 -5.116 -0.983 1.00 0.00 C ATOM 945 CZ TYR A 845 1.962 -5.832 0.019 1.00 0.00 C ATOM 946 OH TYR A 845 3.239 -6.310 -0.171 1.00 0.00 O ATOM 0 H TYR A 845 -2.835 -3.712 3.056 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.161 -2.410 0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.573 -5.043 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.532 -4.303 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.480 -5.784 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.423 -4.077 -1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.799 -6.632 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.853 -4.930 -1.915 1.00 0.00 H new ATOM 0 HH TYR A 845 3.881 -5.708 0.259 1.00 0.00 H new ATOM 956 N VAL A 846 -3.010 -1.236 -0.168 1.00 0.00 N ATOM 957 CA VAL A 846 -4.070 -0.422 -0.751 1.00 0.00 C ATOM 958 C VAL A 846 -4.144 -0.616 -2.261 1.00 0.00 C ATOM 959 O VAL A 846 -3.138 -0.898 -2.911 1.00 0.00 O ATOM 960 CB VAL A 846 -3.861 1.074 -0.446 1.00 0.00 C ATOM 961 CG1 VAL A 846 -5.011 1.898 -1.004 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.713 1.296 1.051 1.00 0.00 C ATOM 0 H VAL A 846 -2.074 -1.017 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 846 -5.006 -0.750 -0.299 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.942 1.401 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.846 2.952 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -5.066 1.762 -2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.946 1.572 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.566 2.358 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.614 0.953 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.853 0.736 1.419 1.00 0.00 H new ATOM 972 N GLU A 847 -5.344 -0.461 -2.814 1.00 0.00 N ATOM 973 CA GLU A 847 -5.549 -0.620 -4.249 1.00 0.00 C ATOM 974 C GLU A 847 -6.284 0.585 -4.830 1.00 0.00 C ATOM 975 O GLU A 847 -7.457 0.812 -4.534 1.00 0.00 O ATOM 976 CB GLU A 847 -6.338 -1.899 -4.535 1.00 0.00 C ATOM 977 CG GLU A 847 -6.031 -2.513 -5.891 1.00 0.00 C ATOM 978 CD GLU A 847 -7.161 -3.383 -6.406 1.00 0.00 C ATOM 979 OE1 GLU A 847 -8.280 -2.860 -6.585 1.00 0.00 O ATOM 980 OE2 GLU A 847 -6.925 -4.589 -6.631 1.00 0.00 O ATOM 0 H GLU A 847 -6.187 -0.226 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.571 -0.691 -4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -6.122 -2.631 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.404 -1.679 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.833 -1.718 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -5.122 -3.110 -5.818 1.00 0.00 H new ATOM 987 N TYR A 848 -5.585 1.353 -5.658 1.00 0.00 N ATOM 988 CA TYR A 848 -6.169 2.536 -6.278 1.00 0.00 C ATOM 989 C TYR A 848 -6.596 2.244 -7.713 1.00 0.00 C ATOM 990 O TYR A 848 -6.387 1.144 -8.222 1.00 0.00 O ATOM 991 CB TYR A 848 -5.170 3.695 -6.257 1.00 0.00 C ATOM 992 CG TYR A 848 -5.151 4.454 -4.950 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.494 3.943 -3.837 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.790 5.682 -4.828 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.475 4.634 -2.640 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.774 6.380 -3.636 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.115 5.851 -2.545 1.00 0.00 C ATOM 998 OH TYR A 848 -5.098 6.543 -1.355 1.00 0.00 O ATOM 0 H TYR A 848 -4.614 1.178 -5.915 1.00 0.00 H new ATOM 0 HA TYR A 848 -7.053 2.817 -5.705 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.171 3.306 -6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.411 4.386 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.990 2.990 -3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.308 6.098 -5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.961 4.222 -1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.274 7.334 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.757 7.268 -1.389 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.195 3.239 -8.360 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.652 3.089 -9.736 1.00 0.00 C ATOM 1010 C GLU A 849 -6.551 3.472 -10.720 1.00 0.00 C ATOM 1011 O GLU A 849 -6.303 2.766 -11.696 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.893 3.951 -9.982 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.431 3.853 -11.400 1.00 0.00 C ATOM 1014 CD GLU A 849 -9.802 2.435 -11.786 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -10.950 2.027 -11.517 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -8.942 1.733 -12.359 1.00 0.00 O ATOM 0 H GLU A 849 -7.375 4.157 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.909 2.041 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.676 3.654 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.651 4.991 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -10.308 4.493 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -8.682 4.231 -12.096 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.893 4.596 -10.455 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.818 5.075 -11.317 1.00 0.00 C ATOM 1025 C ASN A 850 -3.493 5.116 -10.562 1.00 0.00 C ATOM 1026 O ASN A 850 -3.449 5.468 -9.384 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.152 6.466 -11.860 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.292 6.844 -13.050 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -3.405 6.091 -13.453 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -4.551 8.016 -13.618 1.00 0.00 N ATOM 0 H ASN A 850 -6.085 5.192 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.719 4.381 -12.152 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.202 6.497 -12.150 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -5.017 7.204 -11.069 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -4.005 8.325 -14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -5.296 8.608 -13.250 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.415 4.752 -11.250 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.089 4.748 -10.644 1.00 0.00 C ATOM 1039 C GLU A 851 -0.748 6.120 -10.070 1.00 0.00 C ATOM 1040 O GLU A 851 -0.235 6.228 -8.956 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.034 4.338 -11.675 1.00 0.00 C ATOM 1042 CG GLU A 851 0.073 5.295 -12.850 1.00 0.00 C ATOM 1043 CD GLU A 851 0.854 4.709 -14.010 1.00 0.00 C ATOM 1044 OE1 GLU A 851 0.362 3.740 -14.625 1.00 0.00 O ATOM 1045 OE2 GLU A 851 1.955 5.219 -14.303 1.00 0.00 O ATOM 0 H GLU A 851 -2.434 4.456 -12.226 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.092 4.024 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 851 0.936 4.271 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.271 3.342 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -0.928 5.562 -13.189 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.554 6.216 -12.521 1.00 0.00 H new ATOM 1052 N SER A 852 -1.037 7.165 -10.839 1.00 0.00 N ATOM 1053 CA SER A 852 -0.757 8.530 -10.410 1.00 0.00 C ATOM 1054 C SER A 852 -1.274 8.771 -8.995 1.00 0.00 C ATOM 1055 O SER A 852 -0.514 9.142 -8.100 1.00 0.00 O ATOM 1056 CB SER A 852 -1.394 9.531 -11.375 1.00 0.00 C ATOM 1057 OG SER A 852 -1.000 9.273 -12.712 1.00 0.00 O ATOM 0 H SER A 852 -1.465 7.092 -11.762 1.00 0.00 H new ATOM 0 HA SER A 852 0.324 8.671 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.480 9.477 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.104 10.544 -11.096 1.00 0.00 H new ATOM 0 HG SER A 852 -1.422 9.925 -13.309 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.571 8.557 -8.801 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.191 8.752 -7.495 1.00 0.00 C ATOM 1065 C GLN A 853 -2.401 8.033 -6.406 1.00 0.00 C ATOM 1066 O GLN A 853 -2.092 8.613 -5.365 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.635 8.248 -7.512 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.587 9.156 -8.273 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.961 8.542 -8.452 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.966 9.102 -8.011 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.013 7.385 -9.101 1.00 0.00 N ATOM 0 H GLN A 853 -3.213 8.249 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.190 9.820 -7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.659 7.254 -7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.987 8.145 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.683 10.103 -7.741 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.164 9.381 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.155 6.957 -9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -7.911 6.924 -9.251 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.080 6.768 -6.653 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.325 5.970 -5.694 1.00 0.00 C ATOM 1082 C ALA A 854 -0.014 6.654 -5.323 1.00 0.00 C ATOM 1083 O ALA A 854 0.356 6.715 -4.150 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.058 4.582 -6.256 1.00 0.00 C ATOM 0 H ALA A 854 -2.331 6.273 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.923 5.874 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.494 3.998 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.006 4.085 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.483 4.667 -7.178 1.00 0.00 H new ATOM 1090 N SER A 855 0.687 7.166 -6.330 1.00 0.00 N ATOM 1091 CA SER A 855 1.960 7.842 -6.109 1.00 0.00 C ATOM 1092 C SER A 855 1.805 8.978 -5.103 1.00 0.00 C ATOM 1093 O SER A 855 2.431 8.970 -4.043 1.00 0.00 O ATOM 1094 CB SER A 855 2.508 8.386 -7.430 1.00 0.00 C ATOM 1095 OG SER A 855 3.843 8.839 -7.280 1.00 0.00 O ATOM 0 H SER A 855 0.395 7.125 -7.306 1.00 0.00 H new ATOM 0 HA SER A 855 2.664 7.115 -5.703 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.468 7.608 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.879 9.206 -7.778 1.00 0.00 H new ATOM 0 HG SER A 855 4.171 9.180 -8.138 1.00 0.00 H new ATOM 1101 N GLN A 856 0.968 9.952 -5.444 1.00 0.00 N ATOM 1102 CA GLN A 856 0.732 11.096 -4.571 1.00 0.00 C ATOM 1103 C GLN A 856 0.413 10.640 -3.150 1.00 0.00 C ATOM 1104 O GLN A 856 1.093 11.022 -2.198 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.415 11.950 -5.114 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.350 13.405 -4.677 1.00 0.00 C ATOM 1107 CD GLN A 856 0.560 14.238 -5.558 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.235 13.714 -6.445 1.00 0.00 O ATOM 1109 NE2 GLN A 856 0.584 15.544 -5.318 1.00 0.00 N ATOM 0 H GLN A 856 0.442 9.972 -6.318 1.00 0.00 H new ATOM 0 HA GLN A 856 1.642 11.695 -4.545 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.406 11.906 -6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.362 11.523 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.353 13.830 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.002 13.456 -3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.008 15.936 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.178 16.155 -5.879 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.624 9.820 -3.016 1.00 0.00 N ATOM 1119 CA ALA A 857 -1.031 9.311 -1.712 1.00 0.00 C ATOM 1120 C ALA A 857 0.172 8.823 -0.913 1.00 0.00 C ATOM 1121 O ALA A 857 0.252 9.031 0.298 1.00 0.00 O ATOM 1122 CB ALA A 857 -2.047 8.190 -1.877 1.00 0.00 C ATOM 0 H ALA A 857 -1.197 9.494 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.494 10.128 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.342 7.819 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.925 8.569 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.603 7.378 -2.453 1.00 0.00 H new ATOM 1128 N VAL A 858 1.108 8.173 -1.598 1.00 0.00 N ATOM 1129 CA VAL A 858 2.308 7.656 -0.952 1.00 0.00 C ATOM 1130 C VAL A 858 3.230 8.790 -0.517 1.00 0.00 C ATOM 1131 O VAL A 858 3.628 8.869 0.645 1.00 0.00 O ATOM 1132 CB VAL A 858 3.084 6.707 -1.885 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.389 6.271 -1.238 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.230 5.502 -2.248 1.00 0.00 C ATOM 0 H VAL A 858 1.058 7.992 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 858 1.980 7.101 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 858 3.324 7.243 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 858 4.923 5.601 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.005 7.147 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.176 5.752 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 858 2.794 4.842 -2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 858 1.958 4.962 -1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.326 5.837 -2.756 1.00 0.00 H new ATOM 1144 N MET A 859 3.565 9.666 -1.458 1.00 0.00 N ATOM 1145 CA MET A 859 4.440 10.798 -1.172 1.00 0.00 C ATOM 1146 C MET A 859 3.938 11.579 0.039 1.00 0.00 C ATOM 1147 O MET A 859 4.705 12.280 0.700 1.00 0.00 O ATOM 1148 CB MET A 859 4.529 11.721 -2.388 1.00 0.00 C ATOM 1149 CG MET A 859 5.655 11.360 -3.344 1.00 0.00 C ATOM 1150 SD MET A 859 6.159 12.747 -4.379 1.00 0.00 S ATOM 1151 CE MET A 859 4.643 13.069 -5.276 1.00 0.00 C ATOM 0 H MET A 859 3.244 9.614 -2.425 1.00 0.00 H new ATOM 0 HA MET A 859 5.434 10.410 -0.946 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.582 11.691 -2.927 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.668 12.747 -2.046 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.513 11.008 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.336 10.534 -3.980 1.00 0.00 H new ATOM 0 HE1 MET A 859 4.828 13.818 -6.046 1.00 0.00 H new ATOM 0 HE2 MET A 859 4.294 12.148 -5.743 1.00 0.00 H new ATOM 0 HE3 MET A 859 3.883 13.437 -4.586 1.00 0.00 H new ATOM 1161 N LYS A 860 2.647 11.455 0.324 1.00 0.00 N ATOM 1162 CA LYS A 860 2.042 12.148 1.456 1.00 0.00 C ATOM 1163 C LYS A 860 2.032 11.260 2.696 1.00 0.00 C ATOM 1164 O LYS A 860 2.400 11.696 3.786 1.00 0.00 O ATOM 1165 CB LYS A 860 0.615 12.580 1.112 1.00 0.00 C ATOM 1166 CG LYS A 860 0.549 13.786 0.191 1.00 0.00 C ATOM 1167 CD LYS A 860 0.837 15.076 0.941 1.00 0.00 C ATOM 1168 CE LYS A 860 0.315 16.288 0.185 1.00 0.00 C ATOM 1169 NZ LYS A 860 0.224 17.490 1.059 1.00 0.00 N ATOM 0 H LYS A 860 1.998 10.880 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 860 2.641 13.033 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.095 11.745 0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.081 12.808 2.035 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.269 13.666 -0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.439 13.842 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.376 15.035 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.911 15.177 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 860 0.972 16.501 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.669 16.063 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -0.136 18.294 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.423 17.296 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.167 17.720 1.432 1.00 0.00 H new ATOM 1183 N MET A 861 1.609 10.012 2.520 1.00 0.00 N ATOM 1184 CA MET A 861 1.554 9.062 3.625 1.00 0.00 C ATOM 1185 C MET A 861 2.958 8.664 4.071 1.00 0.00 C ATOM 1186 O MET A 861 3.319 8.827 5.237 1.00 0.00 O ATOM 1187 CB MET A 861 0.764 7.817 3.217 1.00 0.00 C ATOM 1188 CG MET A 861 -0.733 8.057 3.107 1.00 0.00 C ATOM 1189 SD MET A 861 -1.696 6.548 3.322 1.00 0.00 S ATOM 1190 CE MET A 861 -3.168 7.195 4.111 1.00 0.00 C ATOM 0 H MET A 861 1.300 9.636 1.624 1.00 0.00 H new ATOM 0 HA MET A 861 1.050 9.546 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.138 7.458 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.945 7.027 3.946 1.00 0.00 H new ATOM 0 HG2 MET A 861 -1.036 8.787 3.858 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.957 8.490 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.765 6.370 4.500 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.882 7.854 4.931 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.754 7.756 3.383 1.00 0.00 H new ATOM 1200 N ASP A 862 3.744 8.141 3.137 1.00 0.00 N ATOM 1201 CA ASP A 862 5.108 7.720 3.433 1.00 0.00 C ATOM 1202 C ASP A 862 5.745 8.635 4.476 1.00 0.00 C ATOM 1203 O ASP A 862 5.958 9.821 4.228 1.00 0.00 O ATOM 1204 CB ASP A 862 5.952 7.716 2.158 1.00 0.00 C ATOM 1205 CG ASP A 862 6.575 9.068 1.871 1.00 0.00 C ATOM 1206 OD1 ASP A 862 7.683 9.332 2.384 1.00 0.00 O ATOM 1207 OD2 ASP A 862 5.956 9.862 1.133 1.00 0.00 O ATOM 0 H ASP A 862 3.460 7.998 2.168 1.00 0.00 H new ATOM 0 HA ASP A 862 5.070 6.708 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.740 6.968 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.329 7.420 1.314 1.00 0.00 H new ATOM 1212 N GLY A 863 6.044 8.074 5.644 1.00 0.00 N ATOM 1213 CA GLY A 863 6.651 8.853 6.707 1.00 0.00 C ATOM 1214 C GLY A 863 5.673 9.814 7.353 1.00 0.00 C ATOM 1215 O GLY A 863 5.997 10.979 7.582 1.00 0.00 O ATOM 0 H GLY A 863 5.877 7.094 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.048 8.179 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.495 9.414 6.306 1.00 0.00 H new ATOM 1219 N MET A 864 4.472 9.325 7.645 1.00 0.00 N ATOM 1220 CA MET A 864 3.443 10.150 8.269 1.00 0.00 C ATOM 1221 C MET A 864 3.212 9.728 9.716 1.00 0.00 C ATOM 1222 O MET A 864 3.677 8.673 10.149 1.00 0.00 O ATOM 1223 CB MET A 864 2.135 10.052 7.481 1.00 0.00 C ATOM 1224 CG MET A 864 1.542 8.652 7.460 1.00 0.00 C ATOM 1225 SD MET A 864 -0.045 8.583 6.607 1.00 0.00 S ATOM 1226 CE MET A 864 -1.054 9.594 7.688 1.00 0.00 C ATOM 0 H MET A 864 4.187 8.363 7.460 1.00 0.00 H new ATOM 0 HA MET A 864 3.787 11.184 8.262 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.408 10.739 7.913 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.312 10.378 6.456 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.242 7.973 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.416 8.300 8.484 1.00 0.00 H new ATOM 0 HE1 MET A 864 -1.990 9.078 7.900 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.520 9.774 8.621 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.267 10.546 7.202 1.00 0.00 H new ATOM 1236 N THR A 865 2.491 10.560 10.462 1.00 0.00 N ATOM 1237 CA THR A 865 2.199 10.274 11.861 1.00 0.00 C ATOM 1238 C THR A 865 0.745 9.855 12.045 1.00 0.00 C ATOM 1239 O THR A 865 -0.168 10.512 11.543 1.00 0.00 O ATOM 1240 CB THR A 865 2.488 11.494 12.756 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.750 12.072 12.404 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.497 11.099 14.225 1.00 0.00 C ATOM 0 H THR A 865 2.099 11.437 10.120 1.00 0.00 H new ATOM 0 HA THR A 865 2.851 9.452 12.158 1.00 0.00 H new ATOM 0 HB THR A 865 1.697 12.227 12.599 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.925 12.848 12.976 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.703 11.977 14.837 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.525 10.687 14.497 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.269 10.349 14.395 1.00 0.00 H new ATOM 1250 N ILE A 866 0.537 8.761 12.769 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.808 8.256 13.020 1.00 0.00 C ATOM 1252 C ILE A 866 -0.926 7.685 14.429 1.00 0.00 C ATOM 1253 O ILE A 866 -0.410 6.605 14.718 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.201 7.170 12.003 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.306 7.769 10.599 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.515 6.518 12.405 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.340 6.730 9.499 1.00 0.00 C ATOM 0 H ILE A 866 1.282 8.207 13.192 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.487 9.102 12.915 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.425 6.404 11.994 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.207 8.379 10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.459 8.435 10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.779 5.752 11.676 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.408 6.061 13.389 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.300 7.273 12.439 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.415 7.227 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.427 6.135 9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.202 6.079 9.640 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.610 8.415 15.303 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.800 7.981 16.682 1.00 0.00 C ATOM 1271 C LYS A 867 -0.463 7.878 17.409 1.00 0.00 C ATOM 1272 O LYS A 867 -0.237 6.948 18.182 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.517 6.629 16.718 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.892 6.653 16.074 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.951 7.159 17.040 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.336 7.135 16.411 1.00 0.00 C ATOM 1277 NZ LYS A 867 -6.872 5.751 16.301 1.00 0.00 N ATOM 0 H LYS A 867 -2.043 9.311 15.080 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.414 8.725 17.190 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -1.901 5.887 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.616 6.307 17.755 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.870 7.291 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.155 5.650 15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -4.948 6.544 17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.708 8.176 17.348 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -7.017 7.741 17.009 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.293 7.587 15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -7.843 5.783 15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -6.273 5.197 15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -6.874 5.304 17.240 1.00 0.00 H new ATOM 1291 N GLU A 868 0.419 8.841 17.156 1.00 0.00 N ATOM 1292 CA GLU A 868 1.733 8.857 17.788 1.00 0.00 C ATOM 1293 C GLU A 868 2.587 7.692 17.298 1.00 0.00 C ATOM 1294 O GLU A 868 3.245 7.016 18.087 1.00 0.00 O ATOM 1295 CB GLU A 868 1.592 8.796 19.310 1.00 0.00 C ATOM 1296 CG GLU A 868 2.847 9.220 20.055 1.00 0.00 C ATOM 1297 CD GLU A 868 2.546 9.779 21.432 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.493 10.430 21.593 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.366 9.565 22.350 1.00 0.00 O ATOM 0 H GLU A 868 0.247 9.619 16.519 1.00 0.00 H new ATOM 0 HA GLU A 868 2.228 9.788 17.513 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.764 9.436 19.616 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.333 7.778 19.602 1.00 0.00 H new ATOM 0 HG2 GLU A 868 3.514 8.364 20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.376 9.972 19.469 1.00 0.00 H new ATOM 1306 N ASN A 869 2.571 7.463 15.989 1.00 0.00 N ATOM 1307 CA ASN A 869 3.343 6.379 15.392 1.00 0.00 C ATOM 1308 C ASN A 869 3.698 6.697 13.943 1.00 0.00 C ATOM 1309 O ASN A 869 2.832 6.705 13.068 1.00 0.00 O ATOM 1310 CB ASN A 869 2.556 5.068 15.460 1.00 0.00 C ATOM 1311 CG ASN A 869 3.444 3.852 15.277 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.109 3.704 14.252 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.456 2.973 16.272 1.00 0.00 N ATOM 0 H ASN A 869 2.032 8.014 15.321 1.00 0.00 H new ATOM 0 HA ASN A 869 4.268 6.270 15.958 1.00 0.00 H new ATOM 0 HB2 ASN A 869 2.047 5.002 16.422 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.784 5.070 14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.033 2.134 16.205 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.889 3.136 17.104 1.00 0.00 H new ATOM 1320 N ILE A 870 4.978 6.958 13.697 1.00 0.00 N ATOM 1321 CA ILE A 870 5.448 7.275 12.354 1.00 0.00 C ATOM 1322 C ILE A 870 5.373 6.054 11.443 1.00 0.00 C ATOM 1323 O ILE A 870 6.133 5.099 11.605 1.00 0.00 O ATOM 1324 CB ILE A 870 6.896 7.799 12.374 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.922 9.273 12.783 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.546 7.609 11.012 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.145 10.173 11.848 1.00 0.00 C ATOM 0 H ILE A 870 5.707 6.956 14.410 1.00 0.00 H new ATOM 0 HA ILE A 870 4.793 8.055 11.966 1.00 0.00 H new ATOM 0 HB ILE A 870 7.464 7.228 13.108 1.00 0.00 H new ATOM 0 HG12 ILE A 870 6.515 9.370 13.789 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.957 9.612 12.824 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.569 7.984 11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.555 6.549 10.758 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.980 8.158 10.259 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.207 11.203 12.199 1.00 0.00 H new ATOM 0 HD12 ILE A 870 6.566 10.106 10.845 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.101 9.860 11.825 1.00 0.00 H new ATOM 1339 N ILE A 871 4.453 6.094 10.485 1.00 0.00 N ATOM 1340 CA ILE A 871 4.282 4.992 9.546 1.00 0.00 C ATOM 1341 C ILE A 871 5.032 5.257 8.245 1.00 0.00 C ATOM 1342 O ILE A 871 5.141 6.399 7.799 1.00 0.00 O ATOM 1343 CB ILE A 871 2.794 4.751 9.228 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.282 5.807 8.247 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.970 4.763 10.507 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.675 5.540 6.811 1.00 0.00 C ATOM 0 H ILE A 871 3.815 6.877 10.339 1.00 0.00 H new ATOM 0 HA ILE A 871 4.692 4.102 10.024 1.00 0.00 H new ATOM 0 HB ILE A 871 2.691 3.771 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.195 5.857 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.665 6.783 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.921 4.591 10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.322 3.976 11.174 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.076 5.730 10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.278 6.329 6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.762 5.519 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.269 4.579 6.495 1.00 0.00 H new ATOM 1358 N LYS A 872 5.547 4.193 7.639 1.00 0.00 N ATOM 1359 CA LYS A 872 6.284 4.307 6.386 1.00 0.00 C ATOM 1360 C LYS A 872 5.491 3.706 5.230 1.00 0.00 C ATOM 1361 O LYS A 872 4.710 2.773 5.419 1.00 0.00 O ATOM 1362 CB LYS A 872 7.642 3.610 6.504 1.00 0.00 C ATOM 1363 CG LYS A 872 8.628 4.011 5.421 1.00 0.00 C ATOM 1364 CD LYS A 872 9.949 3.276 5.570 1.00 0.00 C ATOM 1365 CE LYS A 872 10.670 3.150 4.237 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.556 4.318 3.973 1.00 0.00 N ATOM 0 H LYS A 872 5.468 3.241 7.996 1.00 0.00 H new ATOM 0 HA LYS A 872 6.442 5.366 6.182 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.074 3.837 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.492 2.531 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.200 3.798 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.802 5.086 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.584 3.807 6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.770 2.283 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 872 11.263 2.235 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 872 9.937 3.061 3.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 12.029 4.194 3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 10.987 5.188 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 12.271 4.388 4.725 1.00 0.00 H new ATOM 1380 N VAL A 873 5.697 4.245 4.033 1.00 0.00 N ATOM 1381 CA VAL A 873 5.003 3.760 2.846 1.00 0.00 C ATOM 1382 C VAL A 873 5.989 3.417 1.735 1.00 0.00 C ATOM 1383 O VAL A 873 7.046 4.036 1.615 1.00 0.00 O ATOM 1384 CB VAL A 873 3.996 4.800 2.320 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.296 4.283 1.073 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.986 5.156 3.400 1.00 0.00 C ATOM 0 H VAL A 873 6.339 5.018 3.859 1.00 0.00 H new ATOM 0 HA VAL A 873 4.464 2.860 3.141 1.00 0.00 H new ATOM 0 HB VAL A 873 4.541 5.705 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.589 5.031 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 873 4.035 4.083 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.762 3.363 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.282 5.892 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.444 4.259 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.507 5.572 4.262 1.00 0.00 H new ATOM 1396 N ALA A 874 5.636 2.425 0.924 1.00 0.00 N ATOM 1397 CA ALA A 874 6.488 2.000 -0.180 1.00 0.00 C ATOM 1398 C ALA A 874 5.671 1.331 -1.279 1.00 0.00 C ATOM 1399 O ALA A 874 4.775 0.533 -1.000 1.00 0.00 O ATOM 1400 CB ALA A 874 7.572 1.058 0.323 1.00 0.00 C ATOM 0 H ALA A 874 4.766 1.900 1.011 1.00 0.00 H new ATOM 0 HA ALA A 874 6.960 2.886 -0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.201 0.748 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.182 1.570 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.110 0.180 0.775 1.00 0.00 H new ATOM 1406 N ILE A 875 5.983 1.661 -2.527 1.00 0.00 N ATOM 1407 CA ILE A 875 5.277 1.090 -3.667 1.00 0.00 C ATOM 1408 C ILE A 875 5.340 -0.433 -3.647 1.00 0.00 C ATOM 1409 O ILE A 875 6.421 -1.021 -3.656 1.00 0.00 O ATOM 1410 CB ILE A 875 5.858 1.599 -5.001 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.817 3.127 -5.050 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.090 1.005 -6.173 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.416 3.694 -5.098 1.00 0.00 C ATOM 0 H ILE A 875 6.720 2.321 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 875 4.238 1.409 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 875 6.898 1.280 -5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.331 3.524 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.369 3.469 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.511 1.373 -7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.166 -0.082 -6.144 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.042 1.298 -6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.465 4.782 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.905 3.326 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.867 3.382 -4.210 1.00 0.00 H new ATOM 1425 N SER A 876 4.172 -1.067 -3.620 1.00 0.00 N ATOM 1426 CA SER A 876 4.093 -2.523 -3.596 1.00 0.00 C ATOM 1427 C SER A 876 5.162 -3.140 -4.493 1.00 0.00 C ATOM 1428 O SER A 876 5.657 -2.498 -5.418 1.00 0.00 O ATOM 1429 CB SER A 876 2.706 -2.987 -4.044 1.00 0.00 C ATOM 1430 OG SER A 876 2.622 -3.056 -5.457 1.00 0.00 O ATOM 0 H SER A 876 3.268 -0.595 -3.614 1.00 0.00 H new ATOM 0 HA SER A 876 4.266 -2.855 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.491 -3.966 -3.616 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.949 -2.300 -3.665 1.00 0.00 H new ATOM 0 HG SER A 876 1.877 -3.640 -5.712 1.00 0.00 H new